#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 -0.16 2.12 0.52 -1.26 0.72 118.95 124.12 3g3e s ARG 2 Ca 0.00 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3g3e s ARG 2 Cb 0.00 -3.70 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 3g3e s ARG 2 CO 0.00 -0.52 -0.08 0.08 0.02 0.00 0.00 175.30 174.80 3g3e s VAL 3 N 1.63 3.33 -0.28 3.52 1.01 0.33 -0.20 120.40 129.74 3g3e s VAL 3 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3g3e s VAL 3 Cb -0.18 -2.45 0.03 0.00 0.00 0.00 0.00 36.38 33.79 3g3e s VAL 3 CO 0.08 0.49 -0.01 -0.69 0.00 0.00 0.00 175.10 174.97 3g3e s VAL 4 N 0.66 3.16 -0.29 2.92 1.01 -0.06 -1.43 120.40 126.36 3g3e s VAL 4 Ca -0.05 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.62 3g3e s VAL 4 Cb -0.15 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3g3e s VAL 4 CO 0.02 0.05 0.68 -0.69 0.00 0.00 0.00 175.10 175.16 3g3e s VAL 5 N 1.33 4.90 -0.40 2.92 1.01 0.25 -0.72 120.40 129.70 3g3e s VAL 5 Ca -0.01 1.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 3g3e s VAL 5 Cb -0.18 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.18 3g3e s VAL 5 CO -0.02 -0.13 0.43 -0.63 0.00 0.00 0.00 175.10 174.75 3g3e s ILE 6 N 2.69 5.10 0.00 2.22 1.01 -0.01 0.44 121.20 132.65 3g3e s ILE 6 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3g3e s ILE 6 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3g3e s ILE 6 CO 0.11 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.32 3g3e n GLY 7 N 5.06 3.71 0.92 6.18 0.00 0.18 -1.15 105.19 120.09 3g3e n GLY 7 Ca -0.08 -1.44 0.05 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.01 2.87 -1.52 4.61 0.00 -1.26 -4.13 120.51 121.07 3g3e n ALA 8 Ca 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 50.78 3g3e n ALA 8 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.39 -0.20 0.34 0.00 0.00 -1.26 -4.50 105.19 99.17 3g3e n GLY 9 Ca 0.12 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.58 1.13 0.02 1.61 3.04 -1.95 -1.04 116.25 118.48 3g3e h VAL 10 Ca 0.00 -0.38 -0.00 0.00 -1.01 0.00 0.00 66.70 65.31 3g3e h VAL 10 Cb 0.00 -0.07 0.00 0.00 -2.01 0.00 0.00 31.29 29.21 3g3e h VAL 10 CO 0.00 0.20 -0.01 0.40 -1.01 0.00 0.00 177.57 177.15 3g3e h ILE 11 N 1.10 1.18 0.15 3.17 1.08 -1.92 -0.95 117.51 121.32 3g3e h ILE 11 Ca 0.36 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3g3e h ILE 11 Cb 0.03 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.38 3g3e h ILE 11 CO -0.13 0.16 -0.13 1.23 -0.69 0.00 0.00 178.15 178.59 3g3e h GLY 12 N -0.30 -0.77 0.98 5.37 0.00 -1.69 -1.00 103.07 105.66 3g3e h GLY 12 Ca -0.00 0.34 0.08 0.00 0.00 0.00 0.00 47.33 47.74 3g3e h GLY 12 CO 0.01 -0.27 0.48 1.41 0.00 0.00 0.00 176.54 178.16 3g3e h LEU 13 N -0.27 0.62 0.91 3.11 3.38 -1.23 0.88 115.31 122.71 3g3e h LEU 13 Ca -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3g3e h LEU 13 Cb 0.23 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3g3e h LEU 13 CO -0.01 0.39 -0.47 0.28 0.09 0.00 0.00 178.44 178.72 3g3e h SER 14 N 0.70 -1.15 -0.45 -0.43 0.02 -1.17 -1.45 113.55 109.63 3g3e h SER 14 Ca 0.32 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.38 3g3e h SER 14 Cb 0.35 0.31 -0.05 0.00 0.14 0.00 0.00 62.40 63.15 3g3e h SER 14 CO -0.11 -0.78 0.15 0.74 -1.14 0.00 0.00 176.83 175.69 3g3e h THR 15 N -1.27 0.84 -0.33 -2.27 2.02 -0.49 0.23 112.91 111.64 3g3e h THR 15 Ca -0.12 -0.11 0.07 0.00 0.77 0.00 0.00 66.41 67.02 3g3e h THR 15 Cb 0.99 0.50 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 3g3e h THR 15 CO 0.18 0.06 -0.18 0.00 0.37 0.00 0.00 175.52 175.95 3g3e h ALA 16 N 1.30 0.07 -0.03 6.16 0.00 -0.79 0.15 119.26 126.12 3g3e h ALA 16 Ca 0.21 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3g3e h ALA 16 Cb 0.22 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3g3e h ALA 16 CO -0.22 -0.56 0.01 1.25 0.00 0.00 0.00 179.25 179.72 3g3e h LEU 17 N -0.13 0.05 -0.83 0.00 5.85 -0.19 0.06 115.31 120.12 3g3e h LEU 17 Ca 0.17 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3g3e h LEU 17 Cb 0.39 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3g3e h LEU 17 CO -0.41 0.27 0.49 0.00 -0.34 0.00 0.00 178.44 178.45 3g3e h ILE 19 N 0.84 1.28 -0.20 0.00 2.04 -0.22 -2.78 117.51 118.47 3g3e h ILE 19 Ca 0.39 -1.47 -0.07 0.00 1.00 0.00 0.00 64.86 64.71 3g3e h ILE 19 Cb 0.31 1.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3g3e h ILE 19 CO -0.23 0.49 -0.15 -0.74 0.00 0.00 0.00 178.15 177.52 3g3e h HIS 20 N 0.68 0.55 -0.57 1.37 2.76 -0.37 -2.55 115.15 117.02 3g3e h HIS 20 Ca 0.07 -0.15 0.11 0.00 -2.20 0.00 0.00 60.37 58.21 3g3e h HIS 20 Cb 0.86 -0.12 -0.09 0.00 1.55 0.00 0.00 27.41 29.61 3g3e h HIS 20 CO 0.05 0.79 0.03 0.93 -1.30 0.00 0.00 177.93 178.42 3g3e h GLU 21 N 0.15 0.14 0.00 5.26 5.08 -0.84 -1.98 114.58 122.38 3g3e h GLU 21 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3g3e h GLU 21 Cb 0.67 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3g3e h GLU 21 CO 0.04 0.09 -0.63 -0.09 -1.00 0.00 0.00 179.01 177.42 3g3e h ARG 22 N 0.15 0.00 0.00 2.33 9.65 -1.39 -3.39 114.38 121.72 3g3e h ARG 22 Ca 0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 3g3e h ARG 22 Cb 0.46 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 3g3e h ARG 22 CO -0.46 0.00 -0.14 0.66 2.80 0.00 0.00 179.97 182.83 3g3e n TYR 23 N -2.55 0.00 0.26 2.20 4.01 -0.97 -4.74 117.16 115.37 3g3e n TYR 23 Ca 0.02 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.86 3g3e n TYR 23 Cb 0.50 0.00 0.71 0.00 -0.31 0.00 0.00 39.34 40.24 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 -1.54 -0.27 115.15 114.70 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 0.06 -0.21 -1.13 -3.07 0.00 0.00 177.93 173.58 3g3e n SER 25 N -4.13 0.44 -0.11 3.10 3.41 -1.26 -3.84 113.62 111.23 3g3e n SER 25 Ca -0.03 0.31 0.01 0.00 -0.26 0.00 0.00 58.87 58.90 3g3e n SER 25 Cb 0.15 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 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 -1.81 0.00 -4.82 -3.33 0.24 -0.22 -4.99 118.33 103.40 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 -0.14 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 -0.33 2.69 0.00 1.34 1.43 -0.57 -4.88 118.68 118.37 3g3e s LEU 27 Ca 0.03 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3g3e s LEU 27 Cb 0.02 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3g3e s LEU 27 CO 0.04 0.20 0.07 0.00 0.23 0.00 0.00 176.35 176.89 3g3e n GLN 28 N 3.28 0.00 -4.35 1.70 3.00 -1.26 -3.68 117.38 116.06 3g3e n GLN 28 Ca -0.18 0.07 -0.35 0.00 -0.01 0.00 0.00 57.00 56.53 3g3e n GLN 28 Cb 0.53 -0.54 -0.10 0.00 0.00 0.00 0.00 30.24 30.12 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 -0.15 3.11 -0.49 -1.09 0.04 -1.26 -4.95 135.00 130.20 3g3e s PRO 29 Ca 0.00 -0.41 -0.09 0.00 0.04 0.00 0.00 61.00 60.54 3g3e s PRO 29 Cb 0.00 -2.83 0.13 0.00 0.04 0.00 0.00 34.50 31.84 3g3e s PRO 29 CO 0.00 0.63 0.36 -1.17 0.04 0.00 0.00 177.00 176.87 3g3e s LEU 30 N -0.69 5.71 -0.43 -3.56 2.96 -1.24 0.48 118.68 121.90 3g3e s LEU 30 Ca 0.11 -2.00 -0.17 0.00 -0.22 0.00 0.00 54.13 51.85 3g3e s LEU 30 Cb -0.12 -2.01 0.03 0.00 0.50 0.00 0.00 46.19 44.60 3g3e s LEU 30 CO 0.02 -0.67 0.46 -0.62 -1.32 0.00 0.00 176.35 174.22 3g3e s ASP 31 N 2.52 6.20 -0.14 3.68 -1.08 0.22 -4.93 116.67 123.15 3g3e s ASP 31 Ca 0.07 -0.72 0.01 0.00 -0.52 0.00 0.00 52.55 51.39 3g3e s ASP 31 Cb -0.25 -2.23 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 3g3e s ASP 31 CO -0.01 -0.62 -0.18 -0.63 0.52 0.00 0.00 175.17 174.24 3g3e s ILE 32 N 2.18 2.44 0.01 4.11 1.01 -1.26 0.12 121.20 129.81 3g3e s ILE 32 Ca 0.12 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.98 3g3e s ILE 32 Cb -0.18 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 3g3e s ILE 32 CO 0.13 0.53 -0.19 -0.54 0.00 0.00 0.00 174.94 174.87 3g3e s LYS 33 N 0.71 1.41 -0.23 2.79 1.02 -0.51 -3.09 119.74 121.84 3g3e s LYS 33 Ca -0.08 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.05 3g3e s LYS 33 Cb -0.16 -1.44 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3g3e s LYS 33 CO 0.01 0.38 0.06 0.08 -0.92 0.00 0.00 175.35 174.96 3g3e s VAL 34 N -0.62 4.27 -0.18 3.17 1.01 0.33 -0.58 120.40 127.80 3g3e s VAL 34 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3g3e s VAL 34 Cb -0.08 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3g3e s VAL 34 CO 0.00 0.37 0.01 -0.31 0.00 0.00 0.00 175.10 175.17 3g3e s TYR 35 N 1.40 3.09 -0.14 5.22 2.02 0.17 -0.99 117.35 128.14 3g3e s TYR 35 Ca 0.05 -0.25 -0.19 0.00 -0.37 0.00 0.00 57.07 56.31 3g3e s TYR 35 Cb -0.15 -2.05 0.05 0.00 -0.40 0.00 0.00 41.96 39.41 3g3e s TYR 35 CO 0.03 -0.07 0.49 0.00 -1.57 0.00 0.00 175.55 174.43 3g3e s ALA 36 N 0.66 -1.22 -0.11 3.71 0.00 -0.91 0.51 121.76 124.39 3g3e s ALA 36 Ca 0.00 1.19 0.16 0.00 0.00 0.00 0.00 51.96 53.31 3g3e s ALA 36 Cb -0.14 -0.54 -0.09 0.00 0.00 0.00 0.00 23.12 22.35 3g3e s ALA 36 CO 0.02 -0.26 1.00 0.38 0.00 0.00 0.00 175.76 176.90 3g3e h ASP 37 N 4.76 0.00 -3.92 0.00 2.03 -1.80 -1.40 116.42 116.09 3g3e h ASP 37 Ca -0.28 0.00 -0.53 0.00 -0.73 0.00 0.00 57.03 55.49 3g3e h ASP 37 Cb 1.17 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.36 3g3e h ASP 37 CO 0.26 0.60 -0.83 -0.13 -1.03 0.00 0.00 179.24 178.11 3g3e s ARG 38 N -2.91 1.58 0.42 4.15 0.52 -1.26 -4.70 118.95 116.75 3g3e s ARG 38 Ca -0.01 -0.55 0.07 0.00 -0.52 0.00 0.00 55.73 54.73 3g3e s ARG 38 Cb 0.08 -1.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.10 3g3e s ARG 38 CO 0.80 0.23 0.18 -0.06 0.02 0.00 0.00 175.30 176.46 3g3e s PHE 39 N 0.03 2.59 0.00 -0.53 0.08 -1.26 -4.54 117.98 114.34 3g3e s PHE 39 Ca -0.03 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3g3e s PHE 39 Cb -0.10 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 3g3e s PHE 39 CO 0.02 0.18 0.00 2.41 -0.10 0.00 0.00 175.22 177.73 3g3e n THR 40 N -1.24 0.00 -0.40 0.64 -1.04 -1.26 -1.34 114.28 109.64 3g3e n THR 40 Ca -0.01 0.00 0.30 0.00 -2.04 0.00 0.00 64.05 62.30 3g3e n THR 40 Cb 0.65 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.62 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 -0.72 -2.82 -0.02 -1.26 0.84 135.00 131.02 3g3e n PRO 41 Ca 0.00 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.19 3g3e n PRO 41 Cb 0.00 -1.44 0.35 0.00 -0.02 0.00 0.00 33.50 32.39 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 -3.18 5.03 -4.92 2.45 4.77 -0.45 -4.79 117.00 115.91 3g3e n LEU 42 Ca 0.26 -2.87 -0.20 0.00 -0.03 0.00 0.00 56.01 53.16 3g3e n LEU 42 Cb 1.14 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 3g3e n LEU 42 CO 0.24 0.67 -0.02 0.42 -1.33 0.00 0.00 177.39 177.38 3g3e s THR 43 N -2.62 3.95 0.38 -5.08 -4.23 0.25 -4.78 115.64 103.51 3g3e s THR 43 Ca 0.50 -1.17 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 3g3e s THR 43 Cb 0.38 -3.35 0.28 0.00 1.34 0.00 0.00 72.50 71.15 3g3e s THR 43 CO 0.15 -0.18 2.02 0.74 -0.54 0.00 0.00 174.62 176.80 3g3e h THR 44 N 1.09 1.08 -0.51 3.99 2.02 -1.93 -1.80 112.91 116.85 3g3e h THR 44 Ca -0.46 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 66.50 3g3e h THR 44 Cb 1.25 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 3g3e h THR 44 CO 0.56 0.12 0.34 0.74 0.37 0.00 0.00 175.52 177.65 3g3e h THR 45 N 0.68 1.10 0.00 3.16 2.02 -1.93 -1.73 112.91 116.21 3g3e h THR 45 Ca 0.22 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3g3e h THR 45 Cb 0.05 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 3g3e h THR 45 CO -0.06 0.12 0.00 0.47 0.37 0.00 0.00 175.52 176.42 3g3e n ASP 46 N -4.46 0.00 0.05 4.18 9.92 -0.68 -2.97 116.55 122.59 3g3e n ASP 46 Ca 0.05 0.23 0.10 0.00 -0.53 0.00 0.00 54.79 54.65 3g3e n ASP 46 Cb 0.09 -0.40 -0.08 0.00 -0.64 0.00 0.00 41.12 40.08 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 -1.40 0.40 -2.19 2.53 0.31 -0.67 -4.65 118.33 112.65 3g3e n VAL 47 Ca 0.09 -0.54 -0.37 0.00 -0.01 0.00 0.00 64.34 63.52 3g3e n VAL 47 Cb 0.27 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 -3.40 2.86 -0.03 3.52 0.00 -1.12 -4.96 121.76 118.64 3g3e s ALA 48 Ca -0.04 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.65 3g3e s ALA 48 Cb 0.11 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.59 3g3e s ALA 48 CO 0.84 -0.79 1.04 0.00 0.00 0.00 0.00 175.76 176.85 3g3e h ALA 49 N 1.72 0.04 0.00 0.00 0.00 -1.92 -3.40 119.26 115.69 3g3e h ALA 49 Ca -0.50 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3g3e h ALA 49 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3g3e h ALA 49 CO 0.59 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3g3e n GLY 50 N 1.12 1.37 3.70 0.00 0.00 -1.26 -4.37 105.19 105.76 3g3e n GLY 50 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 4.33 -0.37 0.99 2.96 -1.26 -0.44 118.68 124.89 3g3e s LEU 51 Ca 0.00 1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 55.44 3g3e s LEU 51 Cb 0.00 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.13 3g3e s LEU 51 CO 0.00 -0.47 1.35 0.86 -1.32 0.00 0.00 176.35 176.77 3g3e s TRP 52 N 1.56 2.54 -0.30 5.38 -0.00 0.41 -4.64 118.94 123.89 3g3e s TRP 52 Ca 0.55 0.75 -0.10 0.00 -0.00 0.00 0.00 56.10 57.31 3g3e s TRP 52 Cb -0.25 -4.16 0.16 0.00 -0.00 0.00 0.00 33.47 29.23 3g3e s TRP 52 CO 0.25 -1.83 0.80 -1.14 -0.00 0.00 0.00 176.95 175.04 3g3e s GLN 53 N 4.59 0.43 0.93 5.86 0.74 -1.26 -4.60 119.66 126.35 3g3e s GLN 53 Ca 0.58 0.95 -0.14 0.00 0.05 0.00 0.00 55.36 56.80 3g3e s GLN 53 Cb -0.14 0.56 0.16 0.00 1.10 0.00 0.00 33.01 34.68 3g3e s GLN 53 CO 0.29 -0.27 1.20 -2.14 -0.55 0.00 0.00 175.29 173.81 3g3e s PRO 54 N 2.76 0.93 0.70 1.67 0.02 -1.26 -4.88 135.00 134.94 3g3e s PRO 54 Ca 0.02 0.01 -0.16 0.00 0.02 0.00 0.00 61.00 60.89 3g3e s PRO 54 Cb -0.11 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 3g3e s PRO 54 CO -0.18 -2.28 0.83 0.66 -0.33 0.00 0.00 177.00 175.69 3g3e n TYR 55 N -3.77 0.21 -0.12 6.54 4.02 -1.26 -4.90 117.16 117.88 3g3e n TYR 55 Ca 0.10 0.39 -0.09 0.00 -0.01 0.00 0.00 57.90 58.29 3g3e n TYR 55 Cb 0.60 -2.03 -0.01 0.00 -0.02 0.00 0.00 39.34 37.87 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 -0.20 0.50 -9.71 7.72 3.38 -2.00 -3.46 115.31 111.53 3g3e h LEU 56 Ca -0.47 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 56.78 3g3e h LEU 56 Cb 1.34 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 3g3e h LEU 56 CO 0.46 0.51 -0.58 -0.94 0.09 0.00 0.00 178.44 177.97 3g3e s SER 57 N -5.77 5.36 -0.18 -0.43 1.04 -1.26 -3.48 113.70 108.97 3g3e s SER 57 Ca -0.13 -0.19 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 3g3e s SER 57 Cb 0.10 -1.35 -0.07 0.00 0.10 0.00 0.00 66.02 64.79 3g3e s SER 57 CO 0.74 0.07 2.15 0.47 0.98 0.00 0.00 173.24 177.65 3g3e n ASP 58 N -0.29 3.27 -2.93 7.02 8.00 -1.26 -4.96 116.55 125.39 3g3e n ASP 58 Ca -0.09 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3g3e n ASP 58 Cb 0.55 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 8.27 -0.14 0.04 -0.24 -0.04 -1.26 -5.02 135.00 136.61 3g3e n PRO 59 Ca 0.29 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.66 3g3e n PRO 59 Cb 0.39 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.79 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 -0.57 -0.17 -3.65 3.54 2.35 -1.93 -3.41 115.58 111.74 3g3e h ASN 60 Ca 0.00 -0.31 -0.67 0.00 -0.55 0.00 0.00 56.30 54.77 3g3e h ASN 60 Cb 0.00 0.04 -0.18 0.00 0.05 0.00 0.00 38.32 38.24 3g3e h ASN 60 CO 0.00 0.40 -0.32 0.21 -1.65 0.00 0.00 177.43 176.08 3g3e s ASN 61 N -5.49 6.16 0.00 5.81 2.47 -1.26 -4.93 114.94 117.69 3g3e s ASN 61 Ca -0.10 -0.37 0.22 0.00 0.42 0.00 0.00 52.86 53.03 3g3e s ASN 61 Cb 0.00 -2.19 1.31 0.00 -1.45 0.00 0.00 41.25 38.93 3g3e s ASN 61 CO 0.38 -0.36 1.85 -0.81 -3.72 0.00 0.00 177.10 174.44 3g3e n PRO 62 N 5.35 1.02 0.15 0.43 -0.04 -1.26 -2.73 135.00 137.92 3g3e n PRO 62 Ca -0.10 -0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 3g3e n PRO 62 Cb 0.49 -1.35 0.43 0.00 -0.04 0.00 0.00 33.50 33.03 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 0.05 0.00 0.03 0.54 4.15 -1.97 -2.91 115.11 114.99 3g3e h GLN 63 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.21 3g3e h GLN 63 Cb 0.01 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 3g3e h GLN 63 CO 0.00 0.00 -0.98 0.93 -1.93 0.00 0.00 178.83 176.85 3g3e h GLU 64 N 0.00 0.14 -0.88 1.69 5.08 -1.95 -1.87 114.58 116.79 3g3e h GLU 64 Ca 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3g3e h GLU 64 Cb 0.64 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3g3e h GLU 64 CO 0.00 1.00 0.53 0.00 -1.00 0.00 0.00 179.01 179.54 3g3e h ALA 65 N 0.92 1.12 -0.27 3.43 0.00 -1.71 -0.30 119.26 122.45 3g3e h ALA 65 Ca -0.05 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 3g3e h ALA 65 Cb 1.66 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3g3e h ALA 65 CO 0.14 0.58 -0.36 -0.44 0.00 0.00 0.00 179.25 179.18 3g3e h ASP 66 N 1.21 0.79 -0.46 0.00 3.32 -1.55 -2.34 116.42 117.39 3g3e h ASP 66 Ca 0.32 -0.50 -0.07 0.00 0.02 0.00 0.00 57.03 56.80 3g3e h ASP 66 Cb -0.04 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3g3e h ASP 66 CO -0.06 1.13 0.04 -0.50 -1.72 0.00 0.00 179.24 178.13 3g3e h TRP 67 N 0.46 0.89 -0.20 4.55 6.55 -0.99 0.33 115.95 127.54 3g3e h TRP 67 Ca 0.03 -0.11 -0.11 0.00 0.95 0.00 0.00 58.89 59.65 3g3e h TRP 67 Cb 0.94 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.98 3g3e h TRP 67 CO 0.08 0.79 -0.34 0.77 -1.05 0.00 0.00 178.44 178.69 3g3e h SER 68 N 0.80 0.44 0.52 -3.49 0.02 -1.00 -2.28 113.55 108.56 3g3e h SER 68 Ca 0.16 -0.17 -0.29 0.00 -0.84 0.00 0.00 61.79 60.64 3g3e h SER 68 Cb 0.42 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.85 3g3e h SER 68 CO 0.01 0.76 -1.32 -0.61 -1.14 0.00 0.00 176.83 174.53 3g3e h GLN 69 N 0.36 0.35 -0.33 3.45 4.15 -1.10 -0.98 115.11 121.01 3g3e h GLN 69 Ca 0.04 -0.59 -0.01 0.00 0.77 0.00 0.00 58.65 58.86 3g3e h GLN 69 Cb 0.78 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.67 3g3e h GLN 69 CO 0.06 1.28 0.15 1.96 -1.93 0.00 0.00 178.83 180.36 3g3e h GLN 70 N 0.09 0.46 -0.04 1.69 4.20 -0.88 0.81 115.11 121.44 3g3e h GLN 70 Ca -0.17 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 3g3e h GLN 70 Cb 2.03 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.72 3g3e h GLN 70 CO 0.22 0.37 -0.25 1.15 -0.67 0.00 0.00 178.83 179.65 3g3e h THR 71 N 0.46 1.46 0.05 -0.54 2.02 -1.24 -1.34 112.91 113.80 3g3e h THR 71 Ca 0.12 -1.73 0.03 0.00 0.77 0.00 0.00 66.41 65.60 3g3e h THR 71 Cb 0.06 2.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.88 3g3e h THR 71 CO -0.02 0.48 -0.30 0.15 0.37 0.00 0.00 175.52 176.20 3g3e h PHE 72 N -0.31 -0.83 -0.80 3.16 3.57 -0.78 0.13 116.94 121.08 3g3e h PHE 72 Ca -0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3g3e h PHE 72 Cb 0.91 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.96 3g3e h PHE 72 CO 0.14 -0.40 0.50 -0.44 -2.23 0.00 0.00 178.31 175.88 3g3e h ASP 73 N -0.48 0.81 -0.33 0.41 3.32 -0.86 0.79 116.42 120.08 3g3e h ASP 73 Ca 0.05 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3g3e h ASP 73 Cb 0.55 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3g3e h ASP 73 CO -0.22 0.55 0.17 0.22 -1.72 0.00 0.00 179.24 178.24 3g3e h TYR 74 N 0.96 0.46 -0.36 4.55 3.20 -0.65 -2.67 116.97 122.46 3g3e h TYR 74 Ca 0.33 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.10 3g3e h TYR 74 Cb 0.07 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3g3e h TYR 74 CO -0.03 0.38 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.68 3g3e h LEU 75 N 0.40 0.72 -1.76 2.82 3.38 -0.15 -2.95 115.31 117.78 3g3e h LEU 75 Ca 0.11 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.76 3g3e h LEU 75 Cb 0.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3g3e h LEU 75 CO -0.02 0.94 0.27 0.25 0.09 0.00 0.00 178.44 179.97 3g3e h LEU 76 N 0.50 0.27 0.00 1.67 6.46 -0.82 0.04 115.31 123.44 3g3e h LEU 76 Ca 0.09 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3g3e h LEU 76 Cb 0.64 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3g3e h LEU 76 CO 0.04 0.18 0.00 -1.54 -0.62 0.00 0.00 178.44 176.50 3g3e n SER 77 N -4.48 0.00 0.00 1.25 3.41 -1.01 -2.96 113.62 109.83 3g3e n SER 77 Ca 0.05 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3g3e n SER 77 Cb 0.25 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.31 0.00 -0.05 7.33 8.25 -0.08 -4.73 115.22 124.63 3g3e n HIS 78 Ca 0.12 -0.27 0.02 0.00 -0.26 0.00 0.00 57.72 57.33 3g3e n HIS 78 Cb 0.22 -0.03 0.35 0.00 1.12 0.00 0.00 29.99 31.66 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 0.48 1.15 -0.44 1.59 3.04 -1.21 -2.47 116.25 118.39 3g3e h VAL 79 Ca 0.00 -0.38 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 3g3e h VAL 79 Cb 0.44 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 30.21 3g3e h VAL 79 CO 0.00 0.16 0.05 1.41 -1.01 0.00 0.00 177.57 178.18 3g3e n HIS 80 N -4.41 1.54 -3.57 3.17 8.25 -1.26 -4.82 115.22 114.12 3g3e n HIS 80 Ca 0.04 -0.97 -0.38 0.00 -0.26 0.00 0.00 57.72 56.15 3g3e n HIS 80 Cb 0.10 -0.45 -0.06 0.00 1.12 0.00 0.00 29.99 30.70 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 -1.53 6.71 -1.11 0.41 1.04 -0.93 -4.98 113.70 113.31 3g3e s SER 81 Ca 0.48 0.85 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 3g3e s SER 81 Cb 0.39 -2.22 -0.06 0.00 0.10 0.00 0.00 66.02 64.23 3g3e s SER 81 CO 0.11 0.32 1.91 -2.84 0.98 0.00 0.00 173.24 173.71 3g3e s PRO 82 N -0.93 2.66 0.00 4.02 0.02 -1.26 -1.15 135.00 138.36 3g3e s PRO 82 Ca 0.22 -0.99 0.00 0.00 0.02 0.00 0.00 61.00 60.24 3g3e s PRO 82 Cb -0.16 -5.22 0.00 0.00 0.02 0.00 0.00 34.50 29.14 3g3e s PRO 82 CO 0.11 -3.63 0.00 0.09 -0.33 0.00 0.00 177.00 173.24 3g3e n ASN 83 N 13.63 0.00 -0.17 2.53 4.13 -1.26 -5.00 115.26 129.12 3g3e n ASN 83 Ca 0.43 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.65 3g3e n ASN 83 Cb 0.47 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.84 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 1.10 0.00 5.41 0.00 -1.36 -0.90 119.26 123.51 3g3e h ALA 84 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3g3e h ALA 84 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3g3e h ALA 84 CO 0.00 0.59 0.00 1.05 0.00 0.00 0.00 179.25 180.89 3g3e h GLU 85 N 0.88 0.00 -0.03 0.00 4.11 -1.82 -0.73 114.58 117.00 3g3e h GLU 85 Ca 0.19 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.45 3g3e h GLU 85 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3g3e h GLU 85 CO 0.00 0.00 -0.72 -0.91 0.07 0.00 0.00 179.01 177.46 3g3e h ASN 86 N 0.00 0.19 -0.02 3.06 4.21 -1.58 -3.01 115.58 118.43 3g3e h ASN 86 Ca 0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 3g3e h ASN 86 Cb 0.61 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 3g3e h ASN 86 CO 0.00 0.84 -0.00 0.00 -1.29 0.00 0.00 177.43 176.98 3g3e n LEU 87 N -3.76 1.93 -1.95 1.61 -0.00 -0.82 -4.47 117.00 109.54 3g3e n LEU 87 Ca -0.02 -0.64 -0.13 0.00 -0.00 0.00 0.00 56.01 55.21 3g3e n LEU 87 Cb 0.70 -0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.14 3g3e n LEU 87 CO 0.45 0.32 0.02 0.61 -0.00 0.00 0.00 177.39 178.79 3g3e n GLY 88 N 1.23 -0.02 3.49 1.47 0.00 -0.39 -2.98 105.19 107.99 3g3e n GLY 88 Ca 0.18 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.25 3.43 0.19 0.99 2.96 -0.57 -1.32 118.68 120.10 3g3e s LEU 89 Ca 0.20 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.82 3g3e s LEU 89 Cb -0.09 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.74 3g3e s LEU 89 CO 0.25 0.06 0.48 0.72 -1.32 0.00 0.00 176.35 176.54 3g3e s PHE 90 N 1.03 -0.03 0.05 5.38 -0.12 -0.57 -4.57 117.98 119.15 3g3e s PHE 90 Ca 0.03 -0.32 -0.13 0.00 -0.05 0.00 0.00 56.93 56.47 3g3e s PHE 90 Cb -0.14 0.31 -0.06 0.00 -0.63 0.00 0.00 43.02 42.50 3g3e s PHE 90 CO 0.02 -0.87 0.43 -1.17 -0.05 0.00 0.00 175.22 173.58 3g3e s LEU 91 N -2.89 4.41 -0.17 -1.99 2.96 -1.26 -0.83 118.68 118.91 3g3e s LEU 91 Ca 0.10 0.91 -0.14 0.00 -0.22 0.00 0.00 54.13 54.79 3g3e s LEU 91 Cb -0.00 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.89 3g3e s LEU 91 CO -0.03 0.23 0.44 -0.51 -1.32 0.00 0.00 176.35 175.16 3g3e s ILE 92 N -1.26 -0.01 0.29 6.68 2.07 -0.67 -4.91 121.20 123.39 3g3e s ILE 92 Ca 0.30 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.63 3g3e s ILE 92 Cb -0.15 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 3g3e s ILE 92 CO 0.16 0.01 0.24 -0.44 -1.91 0.00 0.00 174.94 173.00 3g3e s SER 93 N 0.54 5.42 0.00 4.50 0.01 -1.26 -0.40 113.70 122.50 3g3e s SER 93 Ca -0.02 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.88 3g3e s SER 93 Cb -0.04 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.97 3g3e s SER 93 CO -0.03 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.05 3g3e n GLY 94 N -1.26 -1.55 3.60 3.44 0.00 -0.66 -2.12 105.19 106.63 3g3e n GLY 94 Ca -0.05 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.59 2.98 -0.22 1.61 1.51 0.12 -2.49 117.35 118.27 3g3e s TYR 95 Ca 0.00 0.05 -0.03 0.00 -1.01 0.00 0.00 57.07 56.08 3g3e s TYR 95 Cb 0.00 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 3g3e s TYR 95 CO 0.00 0.36 -0.06 -0.80 -1.11 0.00 0.00 175.55 173.94 3g3e s ASN 96 N -0.83 4.17 -0.12 2.29 0.01 -0.59 -0.29 114.94 119.59 3g3e s ASN 96 Ca 0.13 -0.42 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 3g3e s ASN 96 Cb -0.11 -1.71 -0.01 0.00 0.41 0.00 0.00 41.25 39.83 3g3e s ASN 96 CO 0.02 -0.02 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.68 3g3e s LEU 97 N 1.46 2.61 0.21 0.60 1.43 0.26 -0.78 118.68 124.46 3g3e s LEU 97 Ca 0.06 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 3g3e s LEU 97 Cb -0.14 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.46 3g3e s LEU 97 CO -0.04 0.18 -0.16 -0.36 0.23 0.00 0.00 176.35 176.20 3g3e s PHE 98 N 0.24 1.81 0.03 0.29 0.40 0.64 -0.72 117.98 120.67 3g3e s PHE 98 Ca -0.10 -0.52 0.14 0.00 -0.60 0.00 0.00 56.93 55.86 3g3e s PHE 98 Cb -0.16 -0.84 0.23 0.00 0.51 0.00 0.00 43.02 42.76 3g3e s PHE 98 CO 0.06 0.40 1.52 0.45 0.70 0.00 0.00 175.22 178.35 3g3e h HIS 99 N 2.66 0.00 -3.82 0.36 3.86 -1.82 -1.95 115.15 114.44 3g3e h HIS 99 Ca -0.39 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.63 3g3e h HIS 99 Cb 1.22 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.63 3g3e h HIS 99 CO 0.72 0.56 -0.08 -1.83 0.86 0.00 0.00 177.93 178.16 3g3e s GLU 100 N -3.16 1.93 0.69 2.45 -1.05 -1.26 -4.00 118.70 114.30 3g3e s GLU 100 Ca 0.02 -1.62 -0.15 0.00 -0.15 0.00 0.00 54.97 53.07 3g3e s GLU 100 Cb 0.09 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 3g3e s GLU 100 CO 0.74 -0.82 1.18 0.00 0.95 0.00 0.00 175.26 177.31 3g3e s ALA 101 N -3.04 2.26 0.07 -0.84 0.00 -1.26 -4.78 121.76 114.17 3g3e s ALA 101 Ca 0.26 0.81 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 3g3e s ALA 101 Cb -0.01 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.73 3g3e s ALA 101 CO 0.17 -1.63 0.51 -1.50 0.00 0.00 0.00 175.76 173.31 3g3e s ILE 102 N -2.02 0.03 0.48 0.00 2.07 -1.26 -5.15 121.20 115.35 3g3e s ILE 102 Ca 0.73 -0.27 -0.22 0.00 -1.41 0.00 0.00 60.65 59.48 3g3e s ILE 102 Cb -0.27 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.25 3g3e s ILE 102 CO 0.43 -0.15 1.18 -2.84 -1.91 0.00 0.00 174.94 171.65 3g3e s PRO 103 N -2.74 3.61 0.36 3.50 0.02 -1.26 -4.97 135.00 133.52 3g3e s PRO 103 Ca -0.04 1.79 -0.26 0.00 0.02 0.00 0.00 61.00 62.52 3g3e s PRO 103 Cb -0.00 -2.32 -0.12 0.00 0.02 0.00 0.00 34.50 32.08 3g3e s PRO 103 CO -0.04 -0.68 1.06 -0.25 -0.33 0.00 0.00 177.00 176.76 3g3e n ASP 104 N -0.69 1.54 -4.79 2.53 9.92 -1.26 -4.94 116.55 118.86 3g3e n ASP 104 Ca 0.08 1.12 -0.32 0.00 -0.53 0.00 0.00 54.79 55.15 3g3e n ASP 104 Cb 0.48 -1.35 0.06 0.00 -0.64 0.00 0.00 41.12 39.67 3g3e n ASP 104 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3g3e s PRO 105 N -1.82 2.70 0.26 -0.24 0.04 -1.26 -4.91 135.00 129.78 3g3e s PRO 105 Ca 0.60 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 3g3e s PRO 105 Cb -0.61 -1.95 0.43 0.00 0.04 0.00 0.00 34.50 32.41 3g3e s PRO 105 CO 0.59 -1.29 1.86 0.66 0.04 0.00 0.00 177.00 178.85 3g3e h SER 106 N -0.59 0.95 -0.00 6.66 4.64 -1.89 -2.24 113.55 121.08 3g3e h SER 106 Ca -0.45 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3g3e h SER 106 Cb 1.23 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3g3e h SER 106 CO 0.54 0.57 0.00 -2.67 -0.87 0.00 0.00 176.83 174.41 3g3e n TRP 107 N -4.57 0.01 0.26 4.77 4.27 -1.26 -4.23 117.44 116.67 3g3e n TRP 107 Ca 0.16 -0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.91 3g3e n TRP 107 Cb 0.23 -0.04 0.82 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 -0.00 -2.67 2.10 -1.77 0.03 116.57 114.28 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 -0.91 -0.25 -2.00 0.00 0.00 179.45 176.29 3g3e n ASP 109 N -4.02 1.14 0.02 7.07 8.00 -1.26 -4.20 116.55 123.30 3g3e n ASP 109 Ca -0.01 -1.07 -0.18 0.00 0.71 0.00 0.00 54.79 54.23 3g3e n ASP 109 Cb 0.16 0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 42.07 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 0.36 1.44 -4.09 -3.53 2.02 -1.29 -3.46 112.91 104.36 3g3e h THR 110 Ca 0.00 -2.19 -0.45 0.00 0.77 0.00 0.00 66.41 64.53 3g3e h THR 110 Cb 0.53 2.73 0.14 0.00 -1.74 0.00 0.00 68.15 69.82 3g3e h THR 110 CO 0.00 0.64 0.27 0.68 0.37 0.00 0.00 175.52 177.48 3g3e s VAL 111 N -3.03 1.96 -0.18 3.16 -7.23 -1.10 -4.97 120.40 109.01 3g3e s VAL 111 Ca -0.13 0.00 -0.15 0.00 -1.81 0.00 0.00 61.98 59.89 3g3e s VAL 111 Cb 0.03 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 3g3e s VAL 111 CO 0.83 0.00 0.36 -0.76 -0.31 0.00 0.00 175.10 175.21 3g3e s LEU 112 N -6.19 4.20 -1.32 1.32 1.02 -0.44 -4.54 118.68 112.72 3g3e s LEU 112 Ca 0.65 0.52 -0.06 0.00 0.02 0.00 0.00 54.13 55.27 3g3e s LEU 112 Cb -0.14 -2.46 0.01 0.00 0.02 0.00 0.00 46.19 43.61 3g3e s LEU 112 CO 0.54 0.00 0.78 0.61 0.02 0.00 0.00 176.35 178.30 3g3e n GLY 113 N 3.67 -0.39 3.73 -3.19 0.00 -1.26 -0.14 105.19 107.61 3g3e n GLY 113 Ca -0.10 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.55 2.74 -3.71 1.61 7.35 -1.26 -4.49 117.46 115.15 3g3e n PHE 114 Ca -0.05 0.28 -0.09 0.00 -0.76 0.00 0.00 57.45 56.83 3g3e n PHE 114 Cb 0.58 -2.58 -0.02 0.00 0.35 0.00 0.00 39.48 37.82 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 -0.50 1.61 0.30 -4.13 1.70 -0.37 -5.01 118.95 112.55 3g3e s ARG 115 Ca 0.65 -0.81 -0.26 0.00 -0.47 0.00 0.00 55.73 54.84 3g3e s ARG 115 Cb -0.52 0.60 -0.10 0.00 -0.57 0.00 0.00 34.95 34.37 3g3e s ARG 115 CO 0.49 -0.73 0.92 0.15 -1.08 0.00 0.00 175.30 175.05 3g3e s LYS 116 N -3.86 4.58 0.25 3.89 3.01 -1.26 -1.01 119.74 125.34 3g3e s LYS 116 Ca 0.07 1.30 -0.30 0.00 -1.01 0.00 0.00 55.97 56.03 3g3e s LYS 116 Cb -0.04 -2.86 -0.10 0.00 -1.01 0.00 0.00 37.83 33.82 3g3e s LYS 116 CO -0.00 0.32 1.42 -0.51 0.51 0.00 0.00 175.35 177.09 3g3e s LEU 117 N -1.94 4.39 0.68 3.17 1.43 0.71 -4.76 118.68 122.36 3g3e s LEU 117 Ca 0.48 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 3g3e s LEU 117 Cb -0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.40 3g3e s LEU 117 CO 0.24 -0.67 1.06 0.42 0.23 0.00 0.00 176.35 177.63 3g3e s THR 118 N -0.10 4.05 0.34 5.49 -4.23 -1.26 -4.80 115.64 115.13 3g3e s THR 118 Ca 0.58 0.67 0.02 0.00 -1.18 0.00 0.00 61.69 61.78 3g3e s THR 118 Cb -0.41 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.17 3g3e s THR 118 CO 0.44 -0.87 1.97 -0.65 -0.54 0.00 0.00 174.62 174.97 3g3e h PRO 119 N -0.62 0.88 0.00 3.99 0.11 -1.98 -1.90 132.00 132.48 3g3e h PRO 119 Ca -0.44 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3g3e h PRO 119 Cb 1.22 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3g3e h PRO 119 CO 0.60 0.58 -0.45 0.00 -0.21 0.00 0.00 178.00 178.52 3g3e h ARG 120 N 0.90 0.00 -0.13 1.05 3.08 -1.99 -1.64 114.38 115.65 3g3e h ARG 120 Ca 0.30 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.14 3g3e h ARG 120 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 3g3e h ARG 120 CO -0.09 0.45 -0.72 0.93 -1.07 0.00 0.00 179.97 179.47 3g3e h GLU 121 N 0.00 0.72 0.00 0.04 5.08 -1.81 -3.12 114.58 115.49 3g3e h GLU 121 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 3g3e h GLU 121 Cb 0.88 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3g3e h GLU 121 CO 0.06 1.21 0.00 -0.07 -1.00 0.00 0.00 179.01 179.21 3g3e h LEU 122 N 0.43 0.00 -0.95 1.33 3.38 -1.02 -1.87 115.31 116.60 3g3e h LEU 122 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3g3e h LEU 122 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3g3e h LEU 122 CO 0.15 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.12 3g3e h ASP 123 N 0.00 0.00 1.71 -0.43 3.32 -1.24 -2.23 116.42 117.55 3g3e h ASP 123 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g3e h ASP 123 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3g3e h ASP 123 CO 0.00 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.76 3g3e h MET 124 N 0.00 0.00 -2.99 3.56 2.86 -1.43 -3.37 114.93 113.56 3g3e h MET 124 Ca 0.00 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.02 3g3e h MET 124 Cb 0.54 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.79 3g3e h MET 124 CO 0.00 0.00 -0.66 -0.06 1.06 0.00 0.00 176.91 177.25 3g3e s PHE 125 N -3.34 3.01 0.47 -0.22 0.08 -0.84 -4.99 117.98 112.15 3g3e s PHE 125 Ca 0.05 -3.09 0.29 0.00 0.12 0.00 0.00 56.93 54.30 3g3e s PHE 125 Cb 0.06 -2.37 1.36 0.00 -0.57 0.00 0.00 43.02 41.51 3g3e s PHE 125 CO 0.63 -0.63 1.76 -1.35 -0.10 0.00 0.00 175.22 175.53 3g3e h PRO 126 N 5.65 0.17 -0.00 0.24 0.11 -1.74 -2.00 132.00 134.43 3g3e h PRO 126 Ca 0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3g3e h PRO 126 Cb 0.81 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3g3e h PRO 126 CO 0.64 0.11 -0.29 -0.25 -0.21 0.00 0.00 178.00 178.00 3g3e n ASP 127 N -4.42 0.60 -4.30 -2.05 8.00 -1.26 -4.82 116.55 108.30 3g3e n ASP 127 Ca 0.28 -0.43 -0.26 0.00 0.71 0.00 0.00 54.79 55.08 3g3e n ASP 127 Cb 1.15 0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 42.18 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 -2.74 1.96 -0.04 1.24 1.51 -0.75 -4.81 117.35 113.72 3g3e s TYR 128 Ca 0.19 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 3g3e s TYR 128 Cb 0.19 -1.11 -0.00 0.00 -0.11 0.00 0.00 41.96 40.92 3g3e s TYR 128 CO 0.58 0.19 0.27 0.41 -1.11 0.00 0.00 175.55 175.89 3g3e n GLY 129 N 1.37 -0.24 3.25 0.71 0.00 -0.86 -4.85 105.19 104.56 3g3e n GLY 129 Ca -0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.54 -0.00 -2.52 1.61 5.04 -0.79 -4.92 117.35 115.22 3g3e s TYR 130 Ca 0.00 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 3g3e s TYR 130 Cb 0.00 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.39 3g3e s TYR 130 CO 0.01 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.02 3g3e n GLY 131 N -0.11 -1.83 3.45 8.97 0.00 -1.26 -0.26 105.19 114.15 3g3e n GLY 131 Ca -0.16 -1.13 -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 -2.28 2.03 -0.01 1.61 0.51 0.04 -0.21 118.94 120.63 3g3e s TRP 132 Ca 0.00 -0.67 0.01 0.00 -2.12 0.00 0.00 56.10 53.32 3g3e s TRP 132 Cb 0.00 -1.17 0.01 0.00 -0.81 0.00 0.00 33.47 31.50 3g3e s TRP 132 CO 0.00 0.32 -0.03 0.12 -0.51 0.00 0.00 176.95 176.86 3g3e s PHE 133 N -2.95 0.35 0.25 -1.98 2.19 -0.18 -1.55 117.98 114.11 3g3e s PHE 133 Ca 0.30 -0.05 -0.22 0.00 0.33 0.00 0.00 56.93 57.29 3g3e s PHE 133 Cb 0.04 -0.28 0.04 0.00 -1.31 0.00 0.00 43.02 41.50 3g3e s PHE 133 CO 0.13 -0.05 0.81 -3.38 1.83 0.00 0.00 175.22 174.56 3g3e s HIS 134 N 0.25 -0.12 -0.15 10.12 -3.43 -1.04 -1.24 115.29 119.68 3g3e s HIS 134 Ca -0.02 -0.32 -0.05 0.00 -0.80 0.00 0.00 55.06 53.87 3g3e s HIS 134 Cb -0.05 0.71 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 3g3e s HIS 134 CO -0.01 -1.15 0.02 0.99 -2.00 0.00 0.00 174.74 172.60 3g3e s THR 135 N -3.45 4.47 0.00 -5.38 2.01 0.80 -1.66 115.64 112.43 3g3e s THR 135 Ca 0.12 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.97 3g3e s THR 135 Cb -0.04 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3g3e s THR 135 CO 0.06 0.51 0.00 -0.24 -0.69 0.00 0.00 174.62 174.26 3g3e n SER 136 N 3.12 0.30 -3.99 3.53 2.88 0.47 -1.32 113.62 118.60 3g3e n SER 136 Ca -0.17 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.21 3g3e n SER 136 Cb 0.53 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.85 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 2.06 -0.10 2.46 1.43 -1.26 -1.66 118.68 121.60 3g3e s LEU 137 Ca 0.00 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3g3e s LEU 137 Cb 0.00 -0.29 -0.01 0.00 0.03 0.00 0.00 46.19 45.92 3g3e s LEU 137 CO 0.00 0.02 -0.20 -0.63 0.23 0.00 0.00 176.35 175.77 3g3e s ILE 138 N -0.38 2.40 -0.30 -0.59 1.01 -0.01 -0.44 121.20 122.89 3g3e s ILE 138 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3g3e s ILE 138 Cb -0.04 -1.94 0.08 0.00 0.01 0.00 0.00 42.46 40.57 3g3e s ILE 138 CO -0.00 0.55 -0.03 -0.22 0.00 0.00 0.00 174.94 175.24 3g3e s LEU 139 N 0.22 4.05 -0.18 2.97 2.96 0.42 -1.52 118.68 127.60 3g3e s LEU 139 Ca -0.13 -1.73 -0.29 0.00 -0.22 0.00 0.00 54.13 51.76 3g3e s LEU 139 Cb -0.16 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.93 3g3e s LEU 139 CO 0.07 -0.28 1.12 -1.61 -1.32 0.00 0.00 176.35 174.33 3g3e s GLU 140 N 1.02 4.28 0.19 1.98 2.02 -0.44 -4.30 118.70 123.45 3g3e s GLU 140 Ca -0.00 1.48 -0.11 0.00 0.02 0.00 0.00 54.97 56.36 3g3e s GLU 140 Cb -0.20 -3.66 0.20 0.00 0.10 0.00 0.00 34.13 30.58 3g3e s GLU 140 CO -0.06 -0.61 1.78 0.78 0.02 0.00 0.00 175.26 177.17 3g3e h GLY 141 N 9.29 0.81 0.71 -1.39 0.00 -1.78 0.15 103.07 110.86 3g3e h GLY 141 Ca -0.24 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 46.99 3g3e h GLY 141 CO 0.96 0.08 0.61 1.70 0.00 0.00 0.00 176.54 179.88 3g3e h LYS 142 N 0.50 1.06 0.00 4.80 3.64 -1.83 0.25 116.57 125.00 3g3e h LYS 142 Ca 0.27 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3g3e h LYS 142 Cb 0.23 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3g3e h LYS 142 CO -0.21 0.70 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.74 3g3e h ASN 143 N 1.10 0.01 -0.47 4.20 2.35 -1.66 -3.13 115.58 117.98 3g3e h ASN 143 Ca 0.42 -1.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.27 3g3e h ASN 143 Cb 0.20 -0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.48 3g3e h ASN 143 CO -0.18 1.01 -0.11 0.22 -1.65 0.00 0.00 177.43 176.71 3g3e h TYR 144 N -0.99 -0.24 -0.51 1.19 3.20 -0.43 0.95 116.97 120.14 3g3e h TYR 144 Ca -0.00 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3g3e h TYR 144 Cb 1.01 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 3g3e h TYR 144 CO 0.28 -0.20 0.28 -0.07 -1.64 0.00 0.00 178.16 176.81 3g3e h LEU 145 N 0.00 0.61 -0.13 2.82 4.07 -0.61 0.91 115.31 122.98 3g3e h LEU 145 Ca 0.22 -0.04 -0.24 0.00 0.08 0.00 0.00 57.88 57.91 3g3e h LEU 145 Cb 0.34 -0.15 0.01 0.00 1.08 0.00 0.00 40.66 41.94 3g3e h LEU 145 CO -0.48 0.49 -0.90 -0.61 -1.08 0.00 0.00 178.44 175.87 3g3e h GLN 146 N 0.70 0.66 0.05 1.13 4.15 -1.25 -1.38 115.11 119.17 3g3e h GLN 146 Ca 0.18 -0.62 0.01 0.00 0.77 0.00 0.00 58.65 58.99 3g3e h GLN 146 Cb 0.01 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3g3e h GLN 146 CO -0.03 1.23 -0.08 2.35 -1.93 0.00 0.00 178.83 180.37 3g3e h TRP 147 N 0.41 -0.19 -0.57 3.99 2.91 -0.05 -2.31 115.95 120.13 3g3e h TRP 147 Ca -0.08 0.00 0.04 0.00 1.13 0.00 0.00 58.89 59.98 3g3e h TRP 147 Cb 1.53 0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 30.21 3g3e h TRP 147 CO 0.08 -0.12 0.33 -0.07 -1.03 0.00 0.00 178.44 177.63 3g3e h LEU 148 N -0.16 0.51 -0.35 0.65 3.38 -0.75 -2.02 115.31 116.57 3g3e h LEU 148 Ca 0.01 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3g3e h LEU 148 Cb 0.17 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3g3e h LEU 148 CO -0.04 0.35 0.05 0.74 0.09 0.00 0.00 178.44 179.63 3g3e h THR 149 N 0.64 0.81 -0.46 0.22 2.02 -1.09 -0.28 112.91 114.76 3g3e h THR 149 Ca 0.24 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.40 3g3e h THR 149 Cb 0.08 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 3g3e h THR 149 CO -0.13 0.03 0.25 -0.33 0.37 0.00 0.00 175.52 175.71 3g3e h GLU 150 N 0.17 0.48 -0.16 6.66 5.08 -1.10 0.39 114.58 126.10 3g3e h GLU 150 Ca 0.16 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3g3e h GLU 150 Cb 0.20 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3g3e h GLU 150 CO -0.23 0.32 0.11 0.00 -1.00 0.00 0.00 179.01 178.21 3g3e h ARG 151 N 0.49 0.21 -0.57 2.33 2.47 -1.07 -2.18 114.38 116.06 3g3e h ARG 151 Ca 0.20 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.86 3g3e h ARG 151 Cb 0.07 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 3g3e h ARG 151 CO -0.12 0.14 0.18 -0.07 0.56 0.00 0.00 179.97 180.67 3g3e h LEU 152 N 0.22 0.83 -1.17 3.04 4.07 -0.45 -2.48 115.31 119.38 3g3e h LEU 152 Ca 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.79 3g3e h LEU 152 Cb -0.02 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.47 3g3e h LEU 152 CO -0.01 0.82 0.28 0.74 -1.08 0.00 0.00 178.44 179.18 3g3e h THR 153 N 0.81 1.20 0.00 0.22 2.02 -0.08 -0.65 112.91 116.43 3g3e h THR 153 Ca 0.19 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3g3e h THR 153 Cb 0.28 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3g3e h THR 153 CO -0.01 0.24 -0.07 -0.33 0.37 0.00 0.00 175.52 175.73 3g3e h GLU 154 N 0.86 0.00 -0.56 6.66 5.08 -0.99 -2.28 114.58 123.34 3g3e h GLU 154 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3g3e h GLU 154 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3g3e h GLU 154 CO -0.03 0.07 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 3g3e n ARG 155 N -3.18 2.51 -0.96 2.33 5.12 -0.34 -4.91 116.66 117.23 3g3e n ARG 155 Ca 0.01 -1.96 0.00 0.00 -1.93 0.00 0.00 57.85 53.97 3g3e n ARG 155 Cb 0.36 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.17 0.68 3.64 -0.13 0.00 -0.86 -4.99 105.19 104.71 3g3e n GLY 156 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.66 4.10 0.17 1.61 1.01 -0.65 -4.89 120.40 119.09 3g3e s VAL 157 Ca 0.00 1.29 -0.18 0.00 0.00 0.00 0.00 61.98 63.08 3g3e s VAL 157 Cb 0.00 -3.99 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 3g3e s VAL 157 CO 0.00 -0.29 0.65 -0.54 0.00 0.00 0.00 175.10 174.92 3g3e s LYS 158 N 3.96 4.19 -0.06 2.72 -0.14 -1.18 -4.26 119.74 124.98 3g3e s LYS 158 Ca 0.59 0.76 0.05 0.00 -1.36 0.00 0.00 55.97 56.00 3g3e s LYS 158 Cb -0.21 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3g3e s LYS 158 CO 0.21 0.48 -0.20 -0.06 -0.76 0.00 0.00 175.35 175.02 3g3e s PHE 159 N -1.40 2.57 -0.01 3.18 0.40 -1.26 -0.51 117.98 120.94 3g3e s PHE 159 Ca 0.38 -0.50 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 3g3e s PHE 159 Cb -0.17 -1.63 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 3g3e s PHE 159 CO 0.20 -0.07 -0.08 -0.06 0.70 0.00 0.00 175.22 175.92 3g3e s PHE 160 N -0.32 0.73 -0.37 0.36 0.40 -0.16 -4.97 117.98 113.65 3g3e s PHE 160 Ca 0.02 -0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.07 3g3e s PHE 160 Cb -0.13 -0.49 0.01 0.00 0.51 0.00 0.00 43.02 42.92 3g3e s PHE 160 CO 0.02 -0.03 0.26 1.14 0.70 0.00 0.00 175.22 177.31 3g3e s GLN 161 N -0.07 3.17 -0.10 0.44 1.03 -1.26 -2.15 119.66 120.73 3g3e s GLN 161 Ca 0.01 -0.87 -0.30 0.00 0.04 0.00 0.00 55.36 54.25 3g3e s GLN 161 Cb -0.04 -3.85 0.08 0.00 0.03 0.00 0.00 33.01 29.22 3g3e s GLN 161 CO -0.00 -0.61 0.72 -0.98 -2.54 0.00 0.00 175.29 171.88 3g3e s ARG 162 N 1.67 0.97 -0.33 9.60 1.70 -0.53 -4.94 118.95 127.09 3g3e s ARG 162 Ca 0.05 0.39 -0.18 0.00 -0.47 0.00 0.00 55.73 55.52 3g3e s ARG 162 Cb -0.18 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 3g3e s ARG 162 CO 0.09 -0.27 0.54 0.21 -1.08 0.00 0.00 175.30 174.79 3g3e s LYS 163 N -0.87 3.72 -0.14 3.89 2.20 -1.26 -2.61 119.74 124.66 3g3e s LYS 163 Ca -0.08 -0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.20 3g3e s LYS 163 Cb -0.01 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.52 3g3e s LYS 163 CO 0.07 -0.60 1.07 0.08 -0.36 0.00 0.00 175.35 175.61 3g3e s VAL 164 N 2.43 4.63 -0.25 4.02 1.01 -1.26 -4.94 120.40 126.05 3g3e s VAL 164 Ca 0.20 1.93 0.21 0.00 0.00 0.00 0.00 61.98 64.31 3g3e s VAL 164 Cb -0.15 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.04 3g3e s VAL 164 CO 0.13 -0.07 1.16 -0.33 0.00 0.00 0.00 175.10 175.99 3g3e h GLU 165 N 7.36 0.00 -1.68 2.72 4.39 -1.95 -3.48 114.58 121.93 3g3e h GLU 165 Ca -0.27 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.47 3g3e h GLU 165 Cb 1.12 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.55 3g3e h GLU 165 CO 0.91 0.11 0.45 -1.54 -1.16 0.00 0.00 179.01 177.78 3g3e s SER 166 N -5.73 -0.44 0.52 1.42 1.04 -1.26 -4.86 113.70 104.39 3g3e s SER 166 Ca 0.01 0.48 0.18 0.00 0.48 0.00 0.00 55.95 57.10 3g3e s SER 166 Cb 0.08 0.36 1.31 0.00 0.10 0.00 0.00 66.02 67.87 3g3e s SER 166 CO 0.77 -0.41 2.13 -0.26 0.98 0.00 0.00 173.24 176.44 3g3e h PHE 167 N 2.66 0.00 -0.39 5.02 0.04 -1.93 -2.65 116.94 119.69 3g3e h PHE 167 Ca -0.21 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.47 3g3e h PHE 167 Cb 1.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 3g3e h PHE 167 CO 0.31 0.00 -0.13 1.49 -0.60 0.00 0.00 178.31 179.38 3g3e h GLU 168 N 0.00 0.78 -0.60 1.51 4.81 -1.96 -1.72 114.58 117.40 3g3e h GLU 168 Ca 0.03 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3g3e h GLU 168 Cb 0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3g3e h GLU 168 CO -0.00 0.93 0.31 1.05 -0.73 0.00 0.00 179.01 180.57 3g3e h GLU 169 N 0.59 0.84 -0.03 1.92 4.11 -1.87 0.25 114.58 120.39 3g3e h GLU 169 Ca 0.09 -0.10 -0.24 0.00 0.07 0.00 0.00 59.36 59.19 3g3e h GLU 169 Cb 0.67 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.76 3g3e h GLU 169 CO 0.05 0.63 -0.94 0.28 0.07 0.00 0.00 179.01 179.10 3g3e h VAL 170 N 0.84 1.33 -0.30 -1.06 2.07 -1.46 -2.41 116.25 115.26 3g3e h VAL 170 Ca 0.21 -2.25 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 3g3e h VAL 170 Cb 0.06 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3g3e h VAL 170 CO -0.03 0.69 -0.03 0.00 0.02 0.00 0.00 177.57 178.22 3g3e h ALA 171 N 0.59 0.41 0.00 1.67 0.00 -0.91 -2.60 119.26 118.43 3g3e h ALA 171 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3g3e h ALA 171 Cb 1.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3g3e h ALA 171 CO 0.18 0.20 -0.02 0.00 0.00 0.00 0.00 179.25 179.60 3g3e h ARG 172 N 0.34 0.00 0.00 0.00 3.08 -0.43 0.23 114.38 117.60 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 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3g3e h ARG 172 CO 0.02 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 3g3e n GLU 173 N -3.85 0.26 0.00 0.04 1.02 -0.92 -4.89 120.64 112.31 3g3e n GLU 173 Ca -0.03 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3g3e n GLU 173 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.26 1.29 3.75 0.62 0.00 0.82 -5.09 105.19 107.84 3g3e n GLY 174 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 3.45 -0.09 4.61 0.00 -1.14 -4.78 121.76 121.81 3g3e s ALA 175 Ca 0.00 0.99 0.11 0.00 0.00 0.00 0.00 51.96 53.06 3g3e s ALA 175 Cb 0.00 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.48 3g3e s ALA 175 CO 0.00 -0.36 0.46 -0.25 0.00 0.00 0.00 175.76 175.61 3g3e n ASP 176 N 1.89 0.91 -3.78 0.00 10.43 0.72 -4.70 116.55 122.01 3g3e n ASP 176 Ca 0.02 0.28 -0.15 0.00 2.57 0.00 0.00 54.79 57.52 3g3e n ASP 176 Cb 0.44 0.03 -0.16 0.00 1.84 0.00 0.00 41.12 43.27 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 -2.57 -0.05 -0.21 2.53 1.01 -1.04 -3.04 120.40 117.03 3g3e s VAL 177 Ca -0.09 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 3g3e s VAL 177 Cb 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.37 3g3e s VAL 177 CO 0.81 0.08 -0.01 -0.63 0.00 0.00 0.00 175.10 175.34 3g3e s ILE 178 N 0.93 3.72 -0.31 2.22 1.01 -0.03 -0.89 121.20 127.85 3g3e s ILE 178 Ca -0.08 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 3g3e s ILE 178 Cb -0.11 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3g3e s ILE 178 CO -0.03 0.41 0.20 -0.69 0.00 0.00 0.00 174.94 174.83 3g3e s VAL 179 N 1.29 5.06 -0.52 2.92 1.01 0.10 -1.06 120.40 129.20 3g3e s VAL 179 Ca 0.04 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.66 3g3e s VAL 179 Cb -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 36.38 32.78 3g3e s VAL 179 CO 0.00 0.09 0.56 0.21 0.00 0.00 0.00 175.10 175.95 3g3e s ASN 180 N 1.70 6.19 -0.40 3.32 3.04 0.16 -0.83 114.94 128.11 3g3e s ASN 180 Ca 0.06 -1.26 0.10 0.00 0.04 0.00 0.00 52.86 51.79 3g3e s ASN 180 Cb -0.17 -2.25 0.43 0.00 -1.54 0.00 0.00 41.25 37.73 3g3e s ASN 180 CO 0.09 -0.86 1.06 0.00 -3.04 0.00 0.00 177.10 174.35 3g3e n THR 182 N -0.34 0.01 -2.58 0.00 -2.24 -1.25 -4.38 114.28 103.49 3g3e n THR 182 Ca 0.29 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3g3e n THR 182 Cb 0.72 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.23 3.20 0.28 3.38 0.00 -1.26 -2.22 105.19 109.80 3g3e n GLY 183 Ca 0.18 -0.24 0.19 0.00 0.00 0.00 0.00 46.02 46.15 3g3e n GLY 183 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3g3e h VAL 184 N 0.00 0.00 -0.62 1.61 3.04 -1.90 -2.36 116.25 116.02 3g3e h VAL 184 Ca 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.60 3g3e h VAL 184 Cb 0.00 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.25 3g3e h VAL 184 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.57 177.35 3g3e n TRP 185 N -2.87 1.30 0.20 3.17 8.01 -0.94 -4.50 117.44 121.81 3g3e n TRP 185 Ca -0.02 -0.54 0.05 0.00 -1.31 0.00 0.00 57.50 55.68 3g3e n TRP 185 Cb 0.11 -0.19 0.48 0.00 -2.01 0.00 0.00 31.31 29.70 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 4.09 1.67 0.00 6.99 0.00 -1.53 -2.57 119.26 127.91 3g3e h ALA 186 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3g3e h ALA 186 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3g3e h ALA 186 CO 0.18 0.24 -0.02 0.78 0.00 0.00 0.00 179.25 180.42 3g3e h GLY 187 N 0.56 0.00 2.00 0.00 0.00 -1.79 0.24 103.07 104.08 3g3e h GLY 187 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3g3e h GLY 187 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3g3e n ALA 188 N -2.15 1.90 -0.05 3.60 0.00 -0.97 -3.25 120.51 119.59 3g3e n ALA 188 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.35 3g3e n ALA 188 Cb 0.15 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.67 0.00 -3.27 0.00 4.77 0.05 -4.90 117.00 111.97 3g3e n LEU 189 Ca 0.04 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3g3e n LEU 189 Cb 0.25 0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3g3e n LEU 189 CO 0.20 0.22 0.34 -1.58 -1.33 0.00 0.00 177.39 175.24 3g3e s GLN 190 N -2.45 0.44 0.28 3.23 0.74 -1.03 -4.69 119.66 116.18 3g3e s GLN 190 Ca -0.06 0.89 -0.30 0.00 0.05 0.00 0.00 55.36 55.94 3g3e s GLN 190 Cb 0.05 0.51 -0.12 0.00 1.10 0.00 0.00 33.01 34.54 3g3e s GLN 190 CO 0.51 -0.38 1.46 2.89 -0.55 0.00 0.00 175.29 179.23 3g3e n ARG 191 N 5.38 2.31 -3.41 1.67 1.85 -1.20 -4.13 116.66 119.12 3g3e n ARG 191 Ca -0.05 0.82 -0.21 0.00 -1.00 0.00 0.00 57.85 57.41 3g3e n ARG 191 Cb 0.52 -2.51 -0.10 0.00 -1.05 0.00 0.00 32.46 29.31 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 0.26 1.98 0.10 2.89 -1.08 -1.26 -4.99 116.67 114.56 3g3e s ASP 192 Ca 0.64 -1.44 0.19 0.00 -0.52 0.00 0.00 52.55 51.42 3g3e s ASP 192 Cb -0.58 0.23 0.78 0.00 -1.46 0.00 0.00 42.92 41.90 3g3e s ASP 192 CO 0.52 -0.33 1.58 -0.81 0.52 0.00 0.00 175.17 176.65 3g3e n PRO 193 N 4.62 0.08 0.00 4.34 -0.04 -1.26 -2.07 135.00 140.68 3g3e n PRO 193 Ca 0.06 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3g3e n PRO 193 Cb 0.43 -1.65 0.41 0.00 -0.04 0.00 0.00 33.50 32.65 3g3e n PRO 193 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g3e n LEU 194 N -1.80 0.30 -4.69 1.53 4.77 -1.26 -4.75 117.00 111.10 3g3e n LEU 194 Ca 0.03 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.88 3g3e n LEU 194 Cb 0.20 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 3g3e n LEU 194 CO 0.17 0.06 -0.11 -0.22 -1.33 0.00 0.00 177.39 175.95 3g3e s LEU 195 N -3.08 4.16 0.12 2.23 2.96 -0.88 -4.14 118.68 120.06 3g3e s LEU 195 Ca 0.12 0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 54.21 3g3e s LEU 195 Cb 0.18 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3g3e s LEU 195 CO 0.63 0.08 0.21 0.00 -1.32 0.00 0.00 176.35 175.94 3g3e s GLN 196 N 0.84 0.97 0.13 1.98 -2.07 -0.39 -4.97 119.66 116.15 3g3e s GLN 196 Ca 0.11 -1.10 -0.25 0.00 -1.82 0.00 0.00 55.36 52.29 3g3e s GLN 196 Cb -0.13 0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 32.06 3g3e s GLN 196 CO 0.03 -0.32 0.78 -1.25 -1.32 0.00 0.00 175.29 173.21 3g3e s PRO 197 N -3.92 4.56 -0.68 9.60 0.04 -1.26 -0.15 135.00 143.19 3g3e s PRO 197 Ca 0.12 1.15 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 3g3e s PRO 197 Cb 0.05 -3.29 0.17 0.00 0.04 0.00 0.00 34.50 31.47 3g3e s PRO 197 CO -0.05 0.48 0.50 0.20 0.04 0.00 0.00 177.00 178.17 3g3e s GLY 198 N -0.81 2.63 0.21 0.56 0.00 0.84 -1.13 107.32 109.62 3g3e s GLY 198 Ca 0.37 -3.40 -0.31 0.00 0.00 0.00 0.00 44.72 41.38 3g3e s GLY 198 CO 0.26 1.12 1.58 -1.60 0.00 0.00 0.00 173.10 174.45 3g3e s ARG 199 N -0.36 4.19 0.14 2.90 3.52 -0.99 -1.33 118.95 127.03 3g3e s ARG 199 Ca 0.19 2.43 0.07 0.00 -0.13 0.00 0.00 55.73 58.29 3g3e s ARG 199 Cb -0.17 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 3g3e s ARG 199 CO -0.05 -0.60 -0.15 0.20 -0.81 0.00 0.00 175.30 173.89 3g3e s GLY 200 N 0.89 1.20 0.01 8.12 0.00 0.00 -1.17 107.32 116.37 3g3e s GLY 200 Ca 0.68 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 44.02 3g3e s GLY 200 CO 0.36 -1.46 -0.06 1.62 0.00 0.00 0.00 173.10 173.56 3g3e s GLN 201 N -2.89 0.48 0.04 2.90 0.74 -1.26 -0.04 119.66 119.63 3g3e s GLN 201 Ca 0.13 -0.36 -0.02 0.00 0.05 0.00 0.00 55.36 55.16 3g3e s GLN 201 Cb -0.04 -0.41 -0.03 0.00 1.10 0.00 0.00 33.01 33.63 3g3e s GLN 201 CO 0.04 0.10 0.01 0.96 -0.55 0.00 0.00 175.29 175.85 3g3e s ILE 202 N -0.48 0.16 -0.01 -2.34 -5.25 -0.05 -4.31 121.20 108.92 3g3e s ILE 202 Ca -0.01 -1.32 0.04 0.00 -0.99 0.00 0.00 60.65 58.37 3g3e s ILE 202 Cb -0.04 -0.95 -0.03 0.00 2.95 0.00 0.00 42.46 44.39 3g3e s ILE 202 CO -0.00 -0.73 -0.13 -0.04 -1.79 0.00 0.00 174.94 172.25 3g3e s MET 203 N -2.78 2.41 -0.19 0.37 -1.94 0.12 -1.28 119.30 116.02 3g3e s MET 203 Ca -0.04 -0.77 -0.06 0.00 -1.71 0.00 0.00 55.69 53.12 3g3e s MET 203 Cb -0.00 -2.37 -0.03 0.00 2.01 0.00 0.00 34.83 34.43 3g3e s MET 203 CO -0.06 0.60 0.02 0.15 -0.01 0.00 0.00 175.02 175.72 3g3e s LYS 204 N -1.11 3.76 0.05 2.03 1.02 0.10 0.13 119.74 125.72 3g3e s LYS 204 Ca 0.14 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.72 3g3e s LYS 204 Cb -0.11 -3.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3g3e s LYS 204 CO 0.04 0.15 -0.15 0.54 -0.92 0.00 0.00 175.35 175.01 3g3e s VAL 205 N 0.66 1.16 -0.56 3.17 0.11 0.54 0.20 120.40 125.69 3g3e s VAL 205 Ca 0.01 -1.14 -0.22 0.00 -2.93 0.00 0.00 61.98 57.69 3g3e s VAL 205 Cb -0.14 -1.07 0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3g3e s VAL 205 CO 0.02 -0.08 0.83 -0.62 -3.33 0.00 0.00 175.10 171.93 3g3e s ASP 206 N -1.40 6.27 -0.41 3.54 2.15 0.58 -0.42 116.67 126.99 3g3e s ASP 206 Ca 0.01 -0.68 0.09 0.00 0.43 0.00 0.00 52.55 52.40 3g3e s ASP 206 Cb -0.09 -2.38 0.34 0.00 -0.30 0.00 0.00 42.92 40.49 3g3e s ASP 206 CO 0.02 -1.15 0.89 0.00 -0.17 0.00 0.00 175.17 174.76 3g3e n ALA 207 N 7.04 0.84 0.58 3.66 0.00 -1.26 -3.61 120.51 127.76 3g3e n ALA 207 Ca -0.02 -2.59 0.06 0.00 0.00 0.00 0.00 53.44 50.89 3g3e n ALA 207 Cb 0.46 -1.03 0.32 0.00 0.00 0.00 0.00 19.45 19.20 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 0.34 0.14 0.00 0.00 -0.04 -1.26 -1.32 135.00 132.86 3g3e n PRO 208 Ca 0.17 0.19 0.14 0.00 -0.04 0.00 0.00 63.50 63.97 3g3e n PRO 208 Cb 0.67 -1.50 0.67 0.00 -0.04 0.00 0.00 33.50 33.31 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 -1.34 0.00 -3.10 0.54 2.14 -1.26 -4.70 117.44 109.71 3g3e n TRP 209 Ca 0.05 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.20 3g3e n TRP 209 Cb 0.12 -0.20 -0.07 0.00 -0.81 0.00 0.00 31.31 30.35 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 -2.48 3.51 0.00 -2.67 -1.94 -0.43 -4.89 119.30 110.40 3g3e s MET 210 Ca 0.30 -0.12 0.12 0.00 -1.71 0.00 0.00 55.69 54.28 3g3e s MET 210 Cb 0.20 -3.87 -0.08 0.00 2.01 0.00 0.00 34.83 33.09 3g3e s MET 210 CO 0.46 -0.86 0.60 1.63 -0.01 0.00 0.00 175.02 176.85 3g3e n LYS 211 N 6.17 2.54 -4.39 2.03 4.76 -1.26 -4.77 118.16 123.24 3g3e n LYS 211 Ca -0.01 -0.27 -0.23 0.00 -2.87 0.00 0.00 58.31 54.93 3g3e n LYS 211 Cb 0.48 -1.12 -0.11 0.00 -1.84 0.00 0.00 35.03 32.45 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 -1.95 2.03 0.23 2.13 3.76 -1.26 -4.53 115.29 115.70 3g3e s HIS 212 Ca 0.07 -0.43 -0.07 0.00 -0.15 0.00 0.00 55.06 54.48 3g3e s HIS 212 Cb 0.10 -0.96 -0.06 0.00 1.11 0.00 0.00 32.58 32.77 3g3e s HIS 212 CO 0.44 0.48 0.51 -0.59 -0.85 0.00 0.00 174.74 174.73 3g3e s PHE 213 N -2.28 3.45 -0.11 1.40 -0.12 -0.90 -4.44 117.98 114.99 3g3e s PHE 213 Ca 0.22 0.72 -0.03 0.00 -0.05 0.00 0.00 56.93 57.79 3g3e s PHE 213 Cb -0.05 -2.15 0.04 0.00 -0.63 0.00 0.00 43.02 40.24 3g3e s PHE 213 CO 0.10 0.27 0.06 0.42 -0.05 0.00 0.00 175.22 176.02 3g3e s ILE 214 N -1.88 0.05 -0.14 -4.49 1.01 -0.58 0.10 121.20 115.28 3g3e s ILE 214 Ca 0.45 0.07 -0.00 0.00 0.00 0.00 0.00 60.65 61.16 3g3e s ILE 214 Cb -0.11 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 3g3e s ILE 214 CO 0.25 -0.00 -0.14 -0.76 0.00 0.00 0.00 174.94 174.29 3g3e s LEU 215 N 2.09 2.62 0.08 2.97 1.43 0.61 -1.67 118.68 126.80 3g3e s LEU 215 Ca 0.03 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3g3e s LEU 215 Cb -0.14 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 3g3e s LEU 215 CO -0.06 0.13 0.21 0.42 0.23 0.00 0.00 176.35 177.28 3g3e s THR 216 N 0.58 5.32 -0.08 5.49 -4.23 -0.95 -0.58 115.64 121.19 3g3e s THR 216 Ca -0.08 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.98 3g3e s THR 216 Cb -0.16 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.08 3g3e s THR 216 CO 0.03 0.10 -0.14 -1.00 -0.54 0.00 0.00 174.62 173.07 3g3e s HIS 217 N -1.55 1.70 -0.20 3.99 0.09 0.10 -4.71 115.29 114.72 3g3e s HIS 217 Ca 0.35 -0.71 -0.05 0.00 -0.00 0.00 0.00 55.06 54.65 3g3e s HIS 217 Cb -0.13 -1.24 0.07 0.00 -0.00 0.00 0.00 32.58 31.28 3g3e s HIS 217 CO 0.28 -0.36 0.10 0.34 -0.00 0.00 0.00 174.74 175.09 3g3e s ASP 218 N 0.80 2.60 0.50 1.40 -1.08 -1.26 -4.33 116.67 115.29 3g3e s ASP 218 Ca -0.11 -0.76 0.20 0.00 -0.52 0.00 0.00 52.55 51.36 3g3e s ASP 218 Cb -0.16 -0.26 1.27 0.00 -1.46 0.00 0.00 42.92 42.31 3g3e s ASP 218 CO 0.02 -0.37 2.03 1.55 0.52 0.00 0.00 175.17 178.92 3g3e h PRO 219 N 8.42 0.11 -0.55 4.34 0.13 -1.99 0.22 132.00 142.66 3g3e h PRO 219 Ca -0.16 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.85 3g3e h PRO 219 Cb 1.12 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3g3e h PRO 219 CO 0.32 0.07 -0.09 0.93 -0.23 0.00 0.00 178.00 179.01 3g3e h GLU 220 N 0.11 1.03 0.11 0.86 4.39 -2.02 -3.31 114.58 115.74 3g3e h GLU 220 Ca 0.20 -0.37 -0.37 0.00 0.34 0.00 0.00 59.36 59.17 3g3e h GLU 220 Cb 0.66 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 3g3e h GLU 220 CO -0.02 1.06 -2.07 0.54 -1.16 0.00 0.00 179.01 177.35 3g3e n ARG 221 N -4.15 0.74 0.00 2.33 5.12 -0.86 -5.09 116.66 114.75 3g3e n ARG 221 Ca 0.02 0.24 0.00 0.00 -1.93 0.00 0.00 57.85 56.18 3g3e n ARG 221 Cb 0.39 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 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 2.04 0.78 3.45 -0.13 0.00 0.71 -4.73 105.19 107.31 3g3e n GLY 222 Ca -0.34 -1.94 -0.51 0.00 0.00 0.00 0.00 46.02 43.24 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 1.19 1.39 -1.00 -0.61 0.13 -1.26 -1.54 119.36 117.66 3g3e n ILE 223 Ca 0.00 -0.35 -0.02 0.00 -1.10 0.00 0.00 62.75 61.29 3g3e n ILE 223 Cb 0.00 -0.13 -0.01 0.00 -0.84 0.00 0.00 39.64 38.66 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 0.53 -0.00 -0.76 9.51 0.53 -1.26 -4.75 117.16 120.95 3g3e n TYR 224 Ca 0.18 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.13 3g3e n TYR 224 Cb 0.21 -2.05 0.15 0.00 -1.03 0.00 0.00 39.34 36.62 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 -0.85 2.75 -4.18 7.72 5.15 -0.59 -2.45 115.26 122.82 3g3e n ASN 225 Ca -0.02 -2.76 -0.12 0.00 -0.60 0.00 0.00 54.58 51.08 3g3e n ASN 225 Cb 0.49 -0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 39.28 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 -2.09 1.33 0.13 1.20 1.04 -1.24 -4.70 113.70 109.37 3g3e s SER 226 Ca 0.28 -0.94 -0.35 0.00 0.48 0.00 0.00 55.95 55.42 3g3e s SER 226 Cb 0.23 0.05 -0.16 0.00 0.10 0.00 0.00 66.02 66.24 3g3e s SER 226 CO 0.05 -0.38 1.35 -2.65 0.98 0.00 0.00 173.24 172.60 3g3e n PRO 227 N 0.15 1.37 -4.04 4.02 -0.02 -1.26 -4.27 135.00 130.96 3g3e n PRO 227 Ca -0.13 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 61.75 3g3e n PRO 227 Cb 0.60 -2.13 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.39 0.43 -0.05 6.00 -0.85 -0.66 -2.25 117.35 120.36 3g3e s TYR 228 Ca 0.80 -0.70 -0.01 0.00 -0.52 0.00 0.00 57.07 56.64 3g3e s TYR 228 Cb -0.87 -0.30 0.03 0.00 0.38 0.00 0.00 41.96 41.20 3g3e s TYR 228 CO 0.46 -0.22 0.02 0.42 -1.52 0.00 0.00 175.55 174.72 3g3e s ILE 229 N -2.28 0.14 -0.27 -3.49 1.01 -0.67 -1.65 121.20 114.00 3g3e s ILE 229 Ca -0.07 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.80 3g3e s ILE 229 Cb -0.04 -0.33 0.09 0.00 0.01 0.00 0.00 42.46 42.19 3g3e s ILE 229 CO -0.04 0.21 0.08 -0.63 0.00 0.00 0.00 174.94 174.56 3g3e s ILE 230 N 1.86 0.62 0.34 2.92 1.01 -0.62 -1.53 121.20 125.79 3g3e s ILE 230 Ca 0.02 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.36 3g3e s ILE 230 Cb -0.12 -1.35 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 3g3e s ILE 230 CO -0.04 -0.53 1.36 -2.84 0.00 0.00 0.00 174.94 172.90 3g3e s PRO 231 N 1.77 4.29 0.00 2.79 0.02 -1.26 -1.31 135.00 141.29 3g3e s PRO 231 Ca 0.06 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.40 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 -0.21 -0.29 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3g3e n GLY 232 N 0.78 6.60 0.11 0.52 0.00 -0.02 -4.92 105.19 108.26 3g3e n GLY 232 Ca 0.01 -2.07 -0.16 0.00 0.00 0.00 0.00 46.02 43.80 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 0.19 1.49 -0.01 2.61 1.35 -1.96 -3.37 112.91 113.21 3g3e h THR 233 Ca 0.00 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3g3e h THR 233 Cb 0.00 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3g3e h THR 233 CO 0.00 0.55 -0.13 0.00 -0.25 0.00 0.00 175.52 175.69 3g3e n GLN 234 N -4.40 1.38 -3.62 4.72 1.13 -1.26 -5.04 117.38 110.28 3g3e n GLN 234 Ca -0.10 -1.00 -0.04 0.00 -1.94 0.00 0.00 57.00 53.93 3g3e n GLN 234 Cb 0.56 -1.21 -0.04 0.00 0.11 0.00 0.00 30.24 29.66 3g3e n GLN 234 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3g3e s THR 235 N -1.35 0.00 -0.21 5.09 2.01 -1.26 -4.90 115.64 115.02 3g3e s THR 235 Ca 0.13 0.00 -0.10 0.00 0.31 0.00 0.00 61.69 62.03 3g3e s THR 235 Cb 0.11 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 3g3e s THR 235 CO 0.24 0.00 0.13 -0.69 -0.69 0.00 0.00 174.62 173.61 3g3e s VAL 236 N -1.46 5.30 -0.15 3.82 1.01 0.45 -0.84 120.40 128.53 3g3e s VAL 236 Ca 0.08 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.95 3g3e s VAL 236 Cb -0.01 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 3g3e s VAL 236 CO -0.05 0.42 0.86 -0.89 0.00 0.00 0.00 175.10 175.44 3g3e s THR 237 N 0.53 4.87 -0.21 3.92 2.01 -0.43 -0.34 115.64 125.99 3g3e s THR 237 Ca 0.07 1.71 -0.06 0.00 0.31 0.00 0.00 61.69 63.73 3g3e s THR 237 Cb -0.12 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 3g3e s THR 237 CO -0.00 0.03 0.02 -0.76 -0.69 0.00 0.00 174.62 173.22 3g3e s LEU 238 N 2.05 3.36 0.00 4.42 1.02 0.35 -1.58 118.68 128.29 3g3e s LEU 238 Ca 0.40 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.39 3g3e s LEU 238 Cb -0.17 -1.86 -0.00 0.00 0.02 0.00 0.00 46.19 44.18 3g3e s LEU 238 CO 0.14 0.06 0.02 0.61 0.02 0.00 0.00 176.35 177.20 3g3e n GLY 239 N 4.27 3.53 0.00 -3.19 0.00 -0.66 0.16 105.19 109.31 3g3e n GLY 239 Ca -0.17 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.04 0.08 2.97 -0.02 0.00 -1.26 -1.66 105.19 105.26 3g3e n GLY 240 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.11 1.26 -0.17 -0.61 -1.09 -1.02 -3.67 121.20 115.79 3g3e s ILE 241 Ca 0.00 -0.45 -0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3g3e s ILE 241 Cb 0.00 -1.21 0.05 0.00 -1.58 0.00 0.00 42.46 39.72 3g3e s ILE 241 CO 0.00 0.40 0.05 0.12 -1.23 0.00 0.00 174.94 174.28 3g3e s PHE 242 N 1.47 0.67 -0.40 3.97 2.19 -1.21 -4.14 117.98 120.53 3g3e s PHE 242 Ca 0.02 -0.55 0.01 0.00 0.33 0.00 0.00 56.93 56.74 3g3e s PHE 242 Cb -0.13 -0.87 0.12 0.00 -1.31 0.00 0.00 43.02 40.84 3g3e s PHE 242 CO -0.07 -0.53 0.19 -0.65 1.83 0.00 0.00 175.22 175.99 3g3e s GLN 243 N 1.98 1.10 0.19 10.12 -0.21 -0.31 -4.90 119.66 127.63 3g3e s GLN 243 Ca 0.01 -1.71 -0.31 0.00 0.02 0.00 0.00 55.36 53.37 3g3e s GLN 243 Cb -0.16 -2.23 -0.10 0.00 1.00 0.00 0.00 33.01 31.52 3g3e s GLN 243 CO -0.08 -1.11 1.55 -1.17 -2.12 0.00 0.00 175.29 172.37 3g3e s LEU 244 N 0.76 4.37 0.00 2.90 2.96 -1.26 -2.34 118.68 126.08 3g3e s LEU 244 Ca 0.15 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.72 3g3e s LEU 244 Cb -0.22 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.87 3g3e s LEU 244 CO -0.07 -0.81 0.00 0.61 -1.32 0.00 0.00 176.35 174.76 3g3e n GLY 245 N 3.34 1.82 3.63 7.98 0.00 -0.28 -4.98 105.19 116.70 3g3e n GLY 245 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.33 6.79 -0.13 1.61 3.84 -1.01 -4.88 114.94 117.84 3g3e s ASN 246 Ca 0.00 0.91 0.16 0.00 0.21 0.00 0.00 52.86 54.14 3g3e s ASN 246 Cb 0.00 -2.45 0.61 0.00 -0.55 0.00 0.00 41.25 38.87 3g3e s ASN 246 CO 0.00 -0.62 1.53 0.79 -2.79 0.00 0.00 177.10 176.01 3g3e n TRP 247 N 6.23 1.24 -2.75 0.43 7.02 -1.26 -4.38 117.44 123.97 3g3e n TRP 247 Ca 0.06 -0.68 -0.43 0.00 -1.02 0.00 0.00 57.50 55.44 3g3e n TRP 247 Cb 0.48 -0.26 -0.03 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.18 6.59 -1.16 -0.99 0.15 -1.26 -4.94 113.70 110.92 3g3e s SER 248 Ca 0.44 0.36 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 3g3e s SER 248 Cb 0.31 -2.49 0.25 0.00 -1.71 0.00 0.00 66.02 62.38 3g3e s SER 248 CO 0.18 -1.06 1.56 1.21 1.20 0.00 0.00 173.24 176.33 3g3e n GLU 249 N 7.26 4.02 -3.66 5.44 2.13 -1.26 -4.85 120.64 129.72 3g3e n GLU 249 Ca 0.08 -4.16 -0.10 0.00 0.66 0.00 0.00 57.16 53.64 3g3e n GLU 249 Cb 0.48 -2.69 -0.08 0.00 0.27 0.00 0.00 31.44 29.42 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 -1.44 -0.57 0.17 4.31 2.96 -1.26 -5.03 118.68 117.81 3g3e s LEU 250 Ca 0.35 1.29 -0.32 0.00 -0.22 0.00 0.00 54.13 55.23 3g3e s LEU 250 Cb 0.04 2.05 -0.11 0.00 0.50 0.00 0.00 46.19 48.67 3g3e s LEU 250 CO 0.04 -0.22 1.64 0.20 -1.32 0.00 0.00 176.35 176.69 3g3e s ASN 251 N 1.23 6.51 -0.18 3.68 0.01 -1.26 -4.90 114.94 120.04 3g3e s ASN 251 Ca -0.07 2.70 -0.05 0.00 -0.71 0.00 0.00 52.86 54.72 3g3e s ASN 251 Cb -0.06 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 3g3e s ASN 251 CO -0.13 -0.89 0.01 0.21 -1.51 0.00 0.00 177.10 174.80 3g3e s ASN 252 N 1.33 5.06 0.18 -1.22 2.47 -1.26 -5.03 114.94 116.47 3g3e s ASN 252 Ca 0.72 -0.10 -0.15 0.00 0.42 0.00 0.00 52.86 53.76 3g3e s ASN 252 Cb -0.46 -1.86 0.16 0.00 -1.45 0.00 0.00 41.25 37.65 3g3e s ASN 252 CO 0.32 0.13 1.66 0.40 -3.72 0.00 0.00 177.10 175.89 3g3e h ILE 253 N 5.16 0.54 -0.68 -5.21 1.08 -1.99 0.53 117.51 116.95 3g3e h ILE 253 Ca -0.34 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 3g3e h ILE 253 Cb 1.18 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 3g3e h ILE 253 CO 0.64 0.01 0.40 1.56 -0.69 0.00 0.00 178.15 180.06 3g3e h GLN 254 N 0.03 0.72 -0.41 2.37 1.08 -2.00 -0.94 115.11 115.97 3g3e h GLN 254 Ca 0.24 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.30 3g3e h GLN 254 Cb 0.36 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3g3e h GLN 254 CO -0.47 0.48 -0.11 -0.44 -0.95 0.00 0.00 178.83 177.33 3g3e h ASP 255 N 0.74 0.80 -0.42 1.46 3.32 -1.82 -0.80 116.42 119.71 3g3e h ASP 255 Ca 0.29 -0.37 0.08 0.00 0.02 0.00 0.00 57.03 57.06 3g3e h ASP 255 Cb 0.13 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.37 3g3e h ASP 255 CO -0.16 0.98 -0.28 -0.74 -1.72 0.00 0.00 179.24 177.33 3g3e h HIS 256 N 0.61 -0.76 -0.74 4.55 -0.00 -0.47 -0.72 115.15 117.62 3g3e h HIS 256 Ca 0.10 0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3g3e h HIS 256 Cb 0.64 0.39 -0.03 0.00 -0.00 0.00 0.00 27.41 28.41 3g3e h HIS 256 CO 0.05 -0.35 0.34 -0.91 -0.00 0.00 0.00 177.93 177.06 3g3e h ASN 257 N -0.20 0.98 -0.76 3.26 2.35 -0.72 0.88 115.58 121.37 3g3e h ASN 257 Ca 0.19 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.81 3g3e h ASN 257 Cb 0.51 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.58 3g3e h ASN 257 CO -0.53 0.85 0.50 0.74 -1.65 0.00 0.00 177.43 177.33 3g3e h THR 258 N 1.04 1.15 0.18 2.81 2.02 -0.39 0.39 112.91 120.11 3g3e h THR 258 Ca 0.25 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 3g3e h THR 258 Cb 0.15 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 3g3e h THR 258 CO -0.03 0.18 -0.08 0.40 0.37 0.00 0.00 175.52 176.36 3g3e h ILE 259 N 0.99 0.94 -0.56 3.11 2.04 -0.84 -2.16 117.51 121.03 3g3e h ILE 259 Ca 0.29 -0.84 0.09 0.00 1.00 0.00 0.00 64.86 65.40 3g3e h ILE 259 Cb -0.05 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 3g3e h ILE 259 CO -0.09 0.18 0.19 -0.25 0.00 0.00 0.00 178.15 178.18 3g3e h TRP 260 N -0.67 0.32 0.00 1.37 2.91 -0.66 -1.39 115.95 117.83 3g3e h TRP 260 Ca -0.02 0.03 -0.14 0.00 1.13 0.00 0.00 58.89 59.88 3g3e h TRP 260 Cb 0.48 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.05 3g3e h TRP 260 CO 0.05 0.07 -0.82 0.93 -1.03 0.00 0.00 178.44 177.64 3g3e h GLU 261 N 0.36 0.00 -0.08 2.65 5.08 -0.99 -1.87 114.58 119.72 3g3e h GLU 261 Ca 0.28 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.42 3g3e h GLU 261 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3g3e h GLU 261 CO -0.30 0.54 -0.79 0.78 -1.00 0.00 0.00 179.01 178.24 3g3e h GLY 262 N 3.46 0.76 1.40 -3.84 0.00 -1.18 -2.77 103.07 100.90 3g3e h GLY 262 Ca -0.05 -1.17 -0.17 0.00 0.00 0.00 0.00 47.33 45.95 3g3e h GLY 262 CO 0.07 1.04 -0.54 0.00 0.00 0.00 0.00 176.54 177.11 3g3e h ARG 265 N 0.00 0.27 -0.78 0.00 2.43 -1.27 -2.58 114.38 112.45 3g3e h ARG 265 Ca -0.00 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3g3e h ARG 265 Cb 0.58 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3g3e h ARG 265 CO 0.03 0.99 0.49 1.25 -1.51 0.00 0.00 179.97 181.22 3g3e h LEU 266 N -0.32 0.78 -6.56 3.80 6.46 -0.54 -3.39 115.31 115.53 3g3e h LEU 266 Ca -0.05 0.01 -0.40 0.00 -0.12 0.00 0.00 57.88 57.33 3g3e h LEU 266 Cb 1.12 -0.16 -0.35 0.00 -0.73 0.00 0.00 40.66 40.54 3g3e h LEU 266 CO 0.08 0.52 -0.69 -0.70 -0.62 0.00 0.00 178.44 177.03 3g3e s GLU 267 N -6.09 0.34 0.64 1.25 2.56 0.11 -4.95 118.70 112.56 3g3e s GLU 267 Ca -0.13 -0.39 0.31 0.00 0.00 0.00 0.00 54.97 54.77 3g3e s GLU 267 Cb 0.17 -0.82 1.71 0.00 2.00 0.00 0.00 34.13 37.19 3g3e s GLU 267 CO 0.78 -1.06 2.00 -1.35 -0.56 0.00 0.00 175.26 175.07 3g3e h PRO 268 N 8.09 0.00 0.00 4.30 0.11 -1.66 -1.59 132.00 141.25 3g3e h PRO 268 Ca -0.12 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 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 -0.02 1.79 -0.21 0.00 0.00 178.00 179.90 3g3e h THR 269 N 0.00 0.11 0.00 -1.15 1.35 -1.94 -2.70 112.91 108.58 3g3e h THR 269 Ca 0.05 -0.27 -0.04 0.00 -0.55 0.00 0.00 66.41 65.60 3g3e h THR 269 Cb 0.64 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3g3e h THR 269 CO -0.00 0.02 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.04 3g3e h LEU 270 N 0.00 0.00 -1.37 3.87 4.07 -1.61 -3.30 115.31 116.96 3g3e h LEU 270 Ca -0.00 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.28 3g3e h LEU 270 Cb 0.24 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.87 3g3e h LEU 270 CO 0.00 0.18 0.72 0.11 -1.08 0.00 0.00 178.44 178.37 3g3e h LYS 271 N 0.00 0.29 -0.47 1.13 1.57 -1.71 0.73 116.57 118.11 3g3e h LYS 271 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3g3e h LYS 271 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3g3e h LYS 271 CO 0.02 0.19 0.00 0.09 -0.57 0.00 0.00 179.45 179.18 3g3e n ASN 272 N -4.65 5.03 -4.72 0.86 3.02 -1.24 -4.95 115.26 108.60 3g3e n ASN 272 Ca 0.29 -2.93 -0.42 0.00 -0.03 0.00 0.00 54.58 51.49 3g3e n ASN 272 Cb 1.04 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.72 3.25 0.22 5.41 0.00 0.25 -4.99 121.76 123.18 3g3e s ALA 273 Ca 0.50 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 3g3e s ALA 273 Cb 0.38 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 3g3e s ALA 273 CO 0.14 -0.26 1.10 0.50 0.00 0.00 0.00 175.76 177.25 3g3e s ARG 274 N 0.78 4.61 -0.12 0.00 3.52 -1.24 -4.80 118.95 121.70 3g3e s ARG 274 Ca 0.53 1.76 -0.21 0.00 -0.13 0.00 0.00 55.73 57.68 3g3e s ARG 274 Cb -0.24 -3.24 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 3g3e s ARG 274 CO 0.29 0.13 0.62 0.42 -0.81 0.00 0.00 175.30 175.95 3g3e s ILE 275 N -0.61 5.07 -0.22 4.11 1.01 -1.26 -0.31 121.20 128.99 3g3e s ILE 275 Ca 0.47 1.24 0.02 0.00 0.00 0.00 0.00 60.65 62.38 3g3e s ILE 275 Cb -0.31 -3.95 -0.14 0.00 0.01 0.00 0.00 42.46 38.07 3g3e s ILE 275 CO 0.37 0.22 -0.19 -0.38 0.00 0.00 0.00 174.94 174.96 3g3e n ILE 276 N 4.07 1.26 -3.81 2.92 5.41 0.13 -4.95 119.36 124.38 3g3e n ILE 276 Ca -0.03 -0.48 -0.03 0.00 1.00 0.00 0.00 62.75 63.21 3g3e n ILE 276 Cb 0.51 -1.28 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 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 -6.13 -0.05 -0.18 7.39 0.00 -1.00 -4.99 107.32 102.35 3g3e s GLY 277 Ca -0.30 -0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.21 3g3e s GLY 277 CO 0.51 1.20 0.46 -0.54 0.00 0.00 0.00 173.10 174.72 3g3e s GLU 278 N -2.66 0.47 -0.02 2.90 2.02 -1.26 0.02 118.70 120.17 3g3e s GLU 278 Ca 0.17 0.79 -0.08 0.00 0.02 0.00 0.00 54.97 55.88 3g3e s GLU 278 Cb -0.02 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.31 3g3e s GLU 278 CO 0.04 -0.13 0.17 1.03 0.02 0.00 0.00 175.26 176.38 3g3e s ARG 279 N 1.06 0.41 0.15 1.61 1.81 -0.40 -4.99 118.95 118.60 3g3e s ARG 279 Ca -0.07 -0.17 0.06 0.00 -1.72 0.00 0.00 55.73 53.84 3g3e s ARG 279 Cb -0.06 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 3g3e s ARG 279 CO -0.09 -0.09 0.02 0.99 -0.68 0.00 0.00 175.30 175.45 3g3e s THR 280 N -0.88 3.89 0.27 0.02 2.01 -1.26 -0.87 115.64 118.82 3g3e s THR 280 Ca -0.10 -1.28 -0.18 0.00 0.31 0.00 0.00 61.69 60.45 3g3e s THR 280 Cb -0.05 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.53 3g3e s THR 280 CO 0.01 -0.06 0.63 -0.83 -0.69 0.00 0.00 174.62 173.69 3g3e s GLY 281 N -2.82 0.16 -0.35 4.40 0.00 0.94 -4.96 107.32 104.69 3g3e s GLY 281 Ca 0.27 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.44 3g3e s GLY 281 CO 0.19 -0.30 0.10 -1.36 0.00 0.00 0.00 173.10 171.73 3g3e s PHE 282 N -3.92 3.46 0.14 1.90 0.08 -1.26 -0.82 117.98 117.56 3g3e s PHE 282 Ca 0.15 -2.22 -0.31 0.00 0.12 0.00 0.00 56.93 54.67 3g3e s PHE 282 Cb -0.04 -2.70 -0.10 0.00 -0.57 0.00 0.00 43.02 39.61 3g3e s PHE 282 CO 0.08 -0.89 1.68 1.03 -0.10 0.00 0.00 175.22 177.02 3g3e s ARG 283 N 1.17 4.17 -1.15 0.44 0.52 -0.44 -4.69 118.95 118.98 3g3e s ARG 283 Ca 0.03 2.46 -0.21 0.00 -0.52 0.00 0.00 55.73 57.49 3g3e s ARG 283 Cb -0.21 -3.34 0.05 0.00 0.52 0.00 0.00 34.95 31.97 3g3e s ARG 283 CO -0.03 -0.72 1.60 -1.25 0.02 0.00 0.00 175.30 174.92 3g3e s PRO 284 N 1.86 3.72 0.25 3.54 0.04 -1.25 -0.11 135.00 143.05 3g3e s PRO 284 Ca 0.74 -1.50 -0.30 0.00 0.04 0.00 0.00 61.00 59.99 3g3e s PRO 284 Cb -0.45 -5.43 -0.09 0.00 0.04 0.00 0.00 34.50 28.57 3g3e s PRO 284 CO 0.33 -2.30 1.10 0.08 0.04 0.00 0.00 177.00 176.25 3g3e s VAL 285 N 4.89 3.61 -0.06 -0.36 1.01 0.79 -0.31 120.40 129.98 3g3e s VAL 285 Ca 0.51 1.54 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 3g3e s VAL 285 Cb 0.02 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.49 3g3e s VAL 285 CO -0.01 0.33 0.73 -0.60 0.00 0.00 0.00 175.10 175.55 3g3e s ARG 286 N -1.07 0.99 0.48 2.72 3.52 -1.26 -1.26 118.95 123.07 3g3e s ARG 286 Ca 0.46 0.20 0.15 0.00 -0.13 0.00 0.00 55.73 56.41 3g3e s ARG 286 Cb -0.31 0.47 1.11 0.00 -1.56 0.00 0.00 34.95 34.66 3g3e s ARG 286 CO 0.39 -0.32 2.06 -1.35 -0.81 0.00 0.00 175.30 175.27 3g3e h PRO 287 N 2.87 0.02 -4.32 5.12 0.11 -1.92 -3.43 132.00 130.46 3g3e h PRO 287 Ca -0.26 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.66 3g3e h PRO 287 Cb 1.15 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.08 3g3e h PRO 287 CO 0.38 0.11 -0.70 -0.65 -0.21 0.00 0.00 178.00 176.93 3g3e s GLN 288 N -4.86 0.56 0.36 1.05 -0.21 -1.26 -4.73 119.66 110.56 3g3e s GLN 288 Ca -0.05 -0.99 -0.27 0.00 0.02 0.00 0.00 55.36 54.08 3g3e s GLN 288 Cb 0.16 -0.00 -0.09 0.00 1.00 0.00 0.00 33.01 34.08 3g3e s GLN 288 CO 0.69 -0.04 1.20 0.42 -2.12 0.00 0.00 175.29 175.43 3g3e s ILE 289 N -2.69 3.08 -0.55 1.08 1.01 -1.25 -4.84 121.20 117.04 3g3e s ILE 289 Ca -0.02 0.99 -0.18 0.00 0.00 0.00 0.00 60.65 61.45 3g3e s ILE 289 Cb -0.01 -3.59 0.10 0.00 0.01 0.00 0.00 42.46 38.97 3g3e s ILE 289 CO -0.04 0.16 0.61 -0.60 0.00 0.00 0.00 174.94 175.07 3g3e s ARG 290 N -2.00 3.04 -0.39 2.79 3.52 0.43 -4.98 118.95 121.36 3g3e s ARG 290 Ca 0.52 -1.35 0.02 0.00 -0.13 0.00 0.00 55.73 54.80 3g3e s ARG 290 Cb -0.34 -4.24 0.12 0.00 -1.56 0.00 0.00 34.95 28.94 3g3e s ARG 290 CO 0.43 -1.39 0.15 -1.17 -0.81 0.00 0.00 175.30 172.51 3g3e s LEU 291 N 2.32 3.25 0.14 -0.88 2.96 -1.25 -2.21 118.68 123.00 3g3e s LEU 291 Ca 0.09 -2.27 -0.25 0.00 -0.22 0.00 0.00 54.13 51.49 3g3e s LEU 291 Cb -0.25 -1.20 0.07 0.00 0.50 0.00 0.00 46.19 45.31 3g3e s LEU 291 CO 0.06 -0.33 0.86 -1.83 -1.32 0.00 0.00 176.35 173.79 3g3e s GLU 292 N 0.78 1.23 0.41 1.98 -1.05 -1.01 -4.97 118.70 116.07 3g3e s GLU 292 Ca 0.14 -0.62 -0.02 0.00 -0.15 0.00 0.00 54.97 54.32 3g3e s GLU 292 Cb -0.21 0.46 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 3g3e s GLU 292 CO -0.09 -0.55 0.66 1.03 0.95 0.00 0.00 175.26 177.25 3g3e s ARG 293 N -3.41 3.49 -0.28 -4.83 0.52 -1.26 -0.25 118.95 112.93 3g3e s ARG 293 Ca 0.09 -0.10 -0.19 0.00 -0.52 0.00 0.00 55.73 55.01 3g3e s ARG 293 Cb -0.02 -2.53 0.10 0.00 0.52 0.00 0.00 34.95 33.02 3g3e s ARG 293 CO -0.01 -0.03 0.80 -2.00 0.02 0.00 0.00 175.30 174.08 3g3e s GLU 294 N -4.52 0.64 -0.27 3.54 2.12 0.05 -4.93 118.70 115.33 3g3e s GLU 294 Ca 0.44 0.97 -0.13 0.00 0.36 0.00 0.00 54.97 56.60 3g3e s GLU 294 Cb -0.10 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.45 3g3e s GLU 294 CO 0.40 -0.11 0.30 1.14 -0.54 0.00 0.00 175.26 176.45 3g3e s GLN 295 N 1.09 4.01 0.25 4.30 0.00 -1.26 0.09 119.66 128.14 3g3e s GLN 295 Ca -0.06 -0.09 -0.30 0.00 -0.00 0.00 0.00 55.36 54.92 3g3e s GLN 295 Cb -0.05 -3.64 -0.09 0.00 0.00 0.00 0.00 33.01 29.23 3g3e s GLN 295 CO -0.12 -0.20 0.94 -0.51 0.00 0.00 0.00 175.29 175.40 3g3e s LEU 296 N 1.83 4.62 -0.10 2.60 2.01 0.20 -4.88 118.68 124.95 3g3e s LEU 296 Ca 0.12 1.94 -0.10 0.00 0.01 0.00 0.00 54.13 56.09 3g3e s LEU 296 Cb -0.16 -3.66 -0.08 0.00 0.01 0.00 0.00 46.19 42.30 3g3e s LEU 296 CO 0.10 0.13 0.33 -0.09 1.01 0.00 0.00 176.35 177.83 3g3e h ARG 297 N 4.04 -0.07 -0.21 1.70 9.65 -1.86 0.28 114.38 127.92 3g3e h ARG 297 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3g3e h ARG 297 Cb 1.20 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3g3e h ARG 297 CO 0.68 0.22 0.00 0.25 2.80 0.00 0.00 179.97 183.92 3g3e n THR 298 N -4.79 0.00 -3.11 0.20 -2.24 -1.26 -3.76 114.28 99.32 3g3e n THR 298 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 3g3e n THR 298 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 0.50 -1.52 0.10 3.38 0.00 -1.26 -4.01 105.19 102.38 3g3e n GLY 299 Ca 0.00 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.68 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 0.16 -5.09 1.61 -0.04 -1.26 -4.68 135.00 125.70 3g3e n PRO 300 Ca 0.00 0.33 -0.32 0.00 -0.04 0.00 0.00 63.50 63.47 3g3e n PRO 300 Cb 0.00 -1.78 -0.15 0.00 -0.04 0.00 0.00 33.50 31.53 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 -4.02 3.48 -0.01 3.54 1.04 -1.26 -5.11 113.70 111.36 3g3e s SER 301 Ca 0.06 -0.39 -0.14 0.00 0.48 0.00 0.00 55.95 55.96 3g3e s SER 301 Cb 0.10 -0.94 -0.06 0.00 0.10 0.00 0.00 66.02 65.23 3g3e s SER 301 CO 0.42 0.26 0.39 0.20 0.98 0.00 0.00 173.24 175.50 3g3e s ASN 302 N -0.26 6.78 -0.13 7.02 0.02 -1.25 -4.28 114.94 122.84 3g3e s ASN 302 Ca 0.00 0.93 -0.05 0.00 -1.02 0.00 0.00 52.86 52.72 3g3e s ASN 302 Cb -0.13 -2.24 -0.04 0.00 0.02 0.00 0.00 41.25 38.86 3g3e s ASN 302 CO 0.03 0.32 0.03 -0.89 0.02 0.00 0.00 177.10 176.61 3g3e s THR 303 N -1.02 4.55 -0.00 1.60 2.01 0.98 -4.92 115.64 118.84 3g3e s THR 303 Ca 0.23 -0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 3g3e s THR 303 Cb -0.16 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 3g3e s THR 303 CO 0.13 0.54 0.75 -1.61 -0.69 0.00 0.00 174.62 173.74 3g3e s GLU 304 N -0.28 4.47 -0.09 4.92 0.41 -1.17 0.61 118.70 127.58 3g3e s GLU 304 Ca 0.07 1.01 0.03 0.00 -0.41 0.00 0.00 54.97 55.67 3g3e s GLU 304 Cb -0.12 -3.40 0.01 0.00 -1.78 0.00 0.00 34.13 28.84 3g3e s GLU 304 CO 0.02 0.18 -0.17 0.08 -0.49 0.00 0.00 175.26 174.87 3g3e s VAL 305 N 0.34 1.58 -0.33 2.63 1.01 0.11 -0.85 120.40 124.89 3g3e s VAL 305 Ca 0.39 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3g3e s VAL 305 Cb -0.19 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.81 3g3e s VAL 305 CO 0.21 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.25 3g3e s ILE 306 N 0.61 3.99 0.07 2.22 1.01 -0.23 -0.77 121.20 128.10 3g3e s ILE 306 Ca -0.15 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 3g3e s ILE 306 Cb -0.16 -3.17 -0.06 0.00 0.01 0.00 0.00 42.46 39.07 3g3e s ILE 306 CO 0.05 -0.08 0.70 -1.00 0.00 0.00 0.00 174.94 174.61 3g3e s HIS 307 N 1.47 3.78 -0.43 3.97 3.76 0.65 0.38 115.29 128.88 3g3e s HIS 307 Ca 0.01 1.42 0.04 0.00 -0.15 0.00 0.00 55.06 56.38 3g3e s HIS 307 Cb -0.18 -2.71 0.17 0.00 1.11 0.00 0.00 32.58 30.97 3g3e s HIS 307 CO 0.03 0.40 0.45 1.21 -0.85 0.00 0.00 174.74 175.99 3g3e s ASN 308 N -0.52 0.57 0.25 1.40 2.47 0.17 -2.40 114.94 116.88 3g3e s ASN 308 Ca 0.35 -2.21 -0.17 0.00 0.42 0.00 0.00 52.86 51.24 3g3e s ASN 308 Cb -0.20 0.52 0.01 0.00 -1.45 0.00 0.00 41.25 40.13 3g3e s ASN 308 CO 0.22 -0.17 0.58 -0.72 -3.72 0.00 0.00 177.10 173.29 3g3e s TYR 309 N 0.74 0.04 0.00 0.43 -0.85 -0.94 -4.32 117.35 112.46 3g3e s TYR 309 Ca 0.27 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3g3e s TYR 309 Cb -0.04 0.43 0.00 0.00 0.38 0.00 0.00 41.96 42.73 3g3e s TYR 309 CO -0.10 -1.06 0.00 0.41 -1.52 0.00 0.00 175.55 173.28 3g3e n GLY 310 N -0.40 0.53 1.53 5.49 0.00 -1.26 -0.43 105.19 110.65 3g3e n GLY 310 Ca -0.05 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.57 1.42 0.00 1.61 8.25 -1.13 -3.92 115.22 120.89 3g3e n HIS 311 Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 3g3e n HIS 311 Cb 0.24 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 1.07 3.13 1.73 -1.41 0.00 0.58 -1.80 105.19 108.49 3g3e n GLY 312 Ca 0.24 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 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 4.25 1.55 -0.02 0.00 -1.26 -3.78 105.19 105.93 3g3e n GLY 313 Ca 0.00 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.71 0.06 -0.10 1.61 4.11 -0.75 -4.91 117.16 116.47 3g3e n TYR 314 Ca 0.42 -0.58 -0.12 0.00 -0.00 0.00 0.00 57.90 57.62 3g3e n TYR 314 Cb 1.33 -0.13 -0.04 0.00 -0.00 0.00 0.00 39.34 40.49 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 1.05 0.65 1.04 -7.48 0.00 -1.76 -0.64 103.07 95.93 3g3e h GLY 315 Ca -0.24 -0.56 -0.07 0.00 0.00 0.00 0.00 47.33 46.46 3g3e h GLY 315 CO 0.09 0.51 0.10 1.41 0.00 0.00 0.00 176.54 178.65 3g3e h LEU 316 N 0.35 0.97 -2.00 3.11 3.38 -1.91 0.14 115.31 119.35 3g3e h LEU 316 Ca 0.07 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3g3e h LEU 316 Cb 0.62 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3g3e h LEU 316 CO 0.04 0.99 0.25 0.74 0.09 0.00 0.00 178.44 180.55 3g3e h THR 317 N 0.92 0.82 0.00 0.22 2.02 -1.74 -3.27 112.91 111.89 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 0.43 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3g3e h THR 317 CO 0.01 0.00 -0.61 0.00 0.37 0.00 0.00 175.52 175.29 3g3e n ILE 318 N -4.42 0.00 -0.35 3.11 3.06 -0.28 -4.48 119.36 115.99 3g3e n ILE 318 Ca 0.05 -0.28 0.10 0.00 -2.50 0.00 0.00 62.75 60.13 3g3e n ILE 318 Cb 0.43 0.76 0.29 0.00 0.54 0.00 0.00 39.64 41.65 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 1.09 -0.21 9.51 2.07 -0.78 -2.70 115.15 124.12 3g3e h HIS 319 Ca 0.00 0.03 -0.15 0.00 -2.85 0.00 0.00 60.37 57.41 3g3e h HIS 319 Cb 0.15 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 29.79 3g3e h HIS 319 CO 0.00 0.35 -0.44 2.35 -3.07 0.00 0.00 177.93 177.12 3g3e h TRP 320 N 0.88 0.85 -0.59 6.12 2.91 -1.84 -0.33 115.95 123.95 3g3e h TRP 320 Ca 0.53 -0.31 -0.04 0.00 1.13 0.00 0.00 58.89 60.19 3g3e h TRP 320 Cb 0.68 -0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.15 3g3e h TRP 320 CO -0.00 1.09 0.18 0.78 -1.03 0.00 0.00 178.44 179.46 3g3e h GLY 321 N 0.37 0.95 1.24 2.65 0.00 -1.54 -0.60 103.07 106.13 3g3e h GLY 321 Ca 0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3g3e h GLY 321 CO 0.10 0.49 -0.25 0.00 0.00 0.00 0.00 176.54 176.88 3g3e h ALA 323 N 0.96 1.25 0.09 0.00 0.00 -0.42 0.29 119.26 121.43 3g3e h ALA 323 Ca 0.09 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 54.44 3g3e h ALA 323 Cb 0.80 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3g3e h ALA 323 CO 0.07 0.50 -1.15 -0.07 0.00 0.00 0.00 179.25 178.59 3g3e h LEU 324 N 0.31 0.34 -0.30 0.00 3.38 -0.97 -2.08 115.31 116.00 3g3e h LEU 324 Ca 0.05 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 3g3e h LEU 324 Cb 0.59 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3g3e h LEU 324 CO 0.04 1.26 -0.15 -0.08 0.09 0.00 0.00 178.44 179.60 3g3e h GLU 325 N 0.07 0.63 -0.59 1.13 4.57 -0.71 -1.58 114.58 118.11 3g3e h GLU 325 Ca -0.10 -0.28 0.07 0.00 -1.18 0.00 0.00 59.36 57.87 3g3e h GLU 325 Cb 1.88 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 30.42 3g3e h GLU 325 CO 0.18 0.86 0.39 0.00 -1.18 0.00 0.00 179.01 179.27 3g3e h ALA 326 N 0.75 1.89 -0.13 2.92 0.00 -0.45 -1.71 119.26 122.53 3g3e h ALA 326 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3g3e h ALA 326 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3g3e h ALA 326 CO 0.05 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.77 3g3e h ALA 327 N 1.69 0.85 -0.31 0.00 0.00 -0.80 -2.42 119.26 118.27 3g3e h ALA 327 Ca 0.26 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 3g3e h ALA 327 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3g3e h ALA 327 CO -0.08 0.68 -0.51 0.87 0.00 0.00 0.00 179.25 180.21 3g3e h LYS 328 N 0.30 0.88 -0.45 0.00 1.57 -0.45 -2.36 116.57 116.06 3g3e h LYS 328 Ca 0.01 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3g3e h LYS 328 Cb 1.02 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3g3e h LYS 328 CO 0.09 1.18 0.29 -0.07 -0.57 0.00 0.00 179.45 180.37 3g3e h LEU 329 N 0.69 0.53 -0.36 2.94 3.38 -1.22 -0.90 115.31 120.37 3g3e h LEU 329 Ca 0.02 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3g3e h LEU 329 Cb 1.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3g3e h LEU 329 CO 0.12 0.39 -0.54 0.15 0.09 0.00 0.00 178.44 178.65 3g3e h PHE 330 N 0.62 1.01 -0.02 1.13 3.57 -1.22 -2.17 116.94 119.85 3g3e h PHE 330 Ca 0.17 -0.35 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 3g3e h PHE 330 Cb -0.05 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3g3e h PHE 330 CO 0.00 1.16 -0.43 0.78 -2.23 0.00 0.00 178.31 177.60 3g3e h GLY 331 N 0.79 0.04 1.23 2.40 0.00 -0.81 -1.21 103.07 105.51 3g3e h GLY 331 Ca 0.02 -0.04 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 3g3e h GLY 331 CO 0.12 0.03 -0.38 3.21 0.00 0.00 0.00 176.54 179.52 3g3e h ARG 332 N 0.03 0.84 -0.89 4.80 3.08 -1.03 -1.66 114.38 119.55 3g3e h ARG 332 Ca -0.00 -0.44 0.01 0.00 0.07 0.00 0.00 59.98 59.63 3g3e h ARG 332 Cb 0.77 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 3g3e h ARG 332 CO 0.06 1.07 0.59 0.82 -1.07 0.00 0.00 179.97 181.44 3g3e h ILE 333 N 0.69 1.22 -0.47 2.04 2.04 -0.76 -1.94 117.51 120.33 3g3e h ILE 333 Ca 0.06 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 3g3e h ILE 333 Cb 0.95 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3g3e h ILE 333 CO 0.09 0.22 -0.03 -0.07 0.00 0.00 0.00 178.15 178.35 3g3e h LEU 334 N 1.20 0.85 -1.64 1.44 3.38 -1.01 -1.93 115.31 117.60 3g3e h LEU 334 Ca 0.33 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g3e h LEU 334 Cb -0.12 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.40 3g3e h LEU 334 CO -0.08 0.97 0.00 -0.33 0.09 0.00 0.00 178.44 179.09 3g3e h GLU 335 N 0.70 0.00 0.18 1.13 4.39 -0.92 0.88 114.58 120.94 3g3e h GLU 335 Ca 0.13 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.50 3g3e h GLU 335 Cb 0.55 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.22 3g3e h GLU 335 CO 0.03 0.00 -1.57 0.93 -1.16 0.00 0.00 179.01 177.24 3g3e h GLU 336 N 0.00 0.38 0.00 2.33 5.08 -0.81 -3.18 114.58 118.38 3g3e h GLU 336 Ca 0.00 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3g3e h GLU 336 Cb 0.29 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3g3e h GLU 336 CO 0.00 1.28 0.00 1.63 -1.00 0.00 0.00 179.01 180.92 3g3e n LYS 337 N -3.57 0.67 -3.94 2.33 5.02 -0.77 -4.85 118.16 113.05 3g3e n LYS 337 Ca -0.19 0.02 -0.26 0.00 -2.02 0.00 0.00 58.31 55.85 3g3e n LYS 337 Cb 1.07 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.57 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 -1.11 -3.72 -0.91 1.97 5.02 -0.43 -4.85 118.16 114.13 3g3e n LYS 338 Ca 0.17 0.45 -0.06 0.00 -2.02 0.00 0.00 58.31 56.86 3g3e n LYS 338 Cb 0.14 -4.78 0.26 0.00 -0.02 0.00 0.00 35.03 30.62 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 -4.40 5.39 0.00 -0.35 4.32 0.17 -5.02 117.00 117.12 3g3e n LEU 339 Ca -0.23 -3.37 0.00 0.00 -0.02 0.00 0.00 56.01 52.39 3g3e n LEU 339 Cb 0.65 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3g3e n LEU 339 CO 0.75 0.92 0.00 -0.24 -1.22 0.00 0.00 177.39 177.61