#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9l h LEU 3 N 0.00 0.96 -2.30 2.46 5.85 -1.93 -2.21 115.31 118.14 3m9l h LEU 3 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3m9l h LEU 3 Cb 0.00 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.80 3m9l h LEU 3 CO 0.00 0.68 0.00 0.77 -0.34 0.00 0.00 178.44 179.55 3m9l h SER 4 N 1.13 0.00 1.13 1.25 4.64 -1.82 -1.82 113.55 118.06 3m9l h SER 4 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 3m9l h SER 4 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3m9l h SER 4 CO -0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.26 3m9l n GLU 5 N -2.99 0.16 -2.75 4.77 1.02 -0.83 -4.68 120.64 115.34 3m9l n GLU 5 Ca -0.02 0.21 -0.43 0.00 -0.02 0.00 0.00 57.16 56.91 3m9l n GLU 5 Cb 0.15 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 3m9l n GLU 5 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3m9l s ILE 6 N -3.11 4.73 -0.86 -3.67 1.01 -0.69 -4.90 121.20 113.71 3m9l s ILE 6 Ca 0.10 1.81 0.09 0.00 0.00 0.00 0.00 60.65 62.66 3m9l s ILE 6 Cb 0.13 -4.24 0.24 0.00 0.01 0.00 0.00 42.46 38.59 3m9l s ILE 6 CO 0.51 -0.17 1.16 0.29 0.00 0.00 0.00 174.94 176.73 3m9l n LYS 7 N 6.25 2.51 -3.78 2.79 5.02 -1.26 -4.89 118.16 124.81 3m9l n LYS 7 Ca 0.09 -1.84 -0.28 0.00 -2.02 0.00 0.00 58.31 54.27 3m9l n LYS 7 Cb 0.47 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 3m9l n LYS 7 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3m9l s HIS 8 N -0.97 1.23 -0.08 2.13 3.76 -1.25 -1.24 115.29 118.87 3m9l s HIS 8 Ca 0.19 -0.93 0.05 0.00 -0.15 0.00 0.00 55.06 54.22 3m9l s HIS 8 Cb 0.10 -1.10 -0.00 0.00 1.11 0.00 0.00 32.58 32.69 3m9l s HIS 8 CO 0.13 -0.60 -0.23 -1.58 -0.85 0.00 0.00 174.74 171.61 3m9l s TRP 9 N 1.79 2.34 -0.05 1.40 0.52 -0.59 -1.65 118.94 122.70 3m9l s TRP 9 Ca -0.01 -0.85 0.06 0.00 0.02 0.00 0.00 56.10 55.32 3m9l s TRP 9 Cb -0.17 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.58 3m9l s TRP 9 CO -0.07 -0.32 -0.24 0.08 0.02 0.00 0.00 176.95 176.42 3m9l s VAL 10 N 0.19 1.95 0.02 4.03 1.01 0.20 -0.23 120.40 127.57 3m9l s VAL 10 Ca -0.12 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 60.93 3m9l s VAL 10 Cb -0.16 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3m9l s VAL 10 CO 0.06 0.54 -0.26 -0.36 0.00 0.00 0.00 175.10 175.09 3m9l s PHE 11 N -0.15 2.29 0.00 5.22 0.08 -0.41 0.44 117.98 125.45 3m9l s PHE 11 Ca -0.03 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.60 3m9l s PHE 11 Cb -0.13 -1.41 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3m9l s PHE 11 CO 0.03 0.07 0.00 -3.47 -0.10 0.00 0.00 175.22 171.75 3m9l n ASP 12 N 2.01 -0.19 0.00 1.36 -0.08 -0.46 -1.18 116.55 118.02 3m9l n ASP 12 Ca -0.17 -0.14 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 3m9l n ASP 12 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 3m9l n ASP 12 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3m9l n ASP 14 N -0.71 0.00 0.00 1.67 9.92 -1.26 -3.66 116.55 122.51 3m9l n ASP 14 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3m9l n ASP 14 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3m9l n ASP 14 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3m9l n GLY 15 N 0.00 2.96 0.75 0.44 0.00 0.73 -4.84 105.19 105.23 3m9l n GLY 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3m9l n GLY 15 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m9l n THR 16 N -2.00 0.57 0.02 2.61 -1.04 -1.26 -4.66 114.28 108.52 3m9l n THR 16 Ca 0.00 0.22 -0.13 0.00 -2.04 0.00 0.00 64.05 62.11 3m9l n THR 16 Cb 0.00 -1.43 -0.14 0.00 -1.82 0.00 0.00 70.33 66.95 3m9l n THR 16 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3m9l h LEU 17 N -0.12 0.18 -8.68 -4.42 3.38 -1.88 -3.42 115.31 100.34 3m9l h LEU 17 Ca 0.00 -0.29 -0.40 0.00 0.09 0.00 0.00 57.88 57.28 3m9l h LEU 17 Cb 0.12 -0.06 -0.16 0.00 0.09 0.00 0.00 40.66 40.65 3m9l h LEU 17 CO 0.00 1.25 -0.74 0.42 0.09 0.00 0.00 178.44 179.46 3m9l s THR 18 N -2.62 1.38 0.03 0.22 -4.23 -1.26 -0.75 115.64 108.41 3m9l s THR 18 Ca -0.07 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3m9l s THR 18 Cb 0.08 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 3m9l s THR 18 CO 0.83 -0.55 -0.09 0.27 -0.54 0.00 0.00 174.62 174.54 3m9l s ILE 19 N -2.65 0.67 0.38 2.99 -4.36 0.01 -0.19 121.20 118.05 3m9l s ILE 19 Ca 0.14 -0.81 -0.27 0.00 -0.26 0.00 0.00 60.65 59.45 3m9l s ILE 19 Cb -0.02 -0.65 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 3m9l s ILE 19 CO 0.03 -0.13 1.31 0.00 0.24 0.00 0.00 174.94 176.40 3m9l s ALA 20 N -0.86 3.34 0.27 2.27 0.00 -1.26 -1.12 121.76 124.40 3m9l s ALA 20 Ca -0.03 1.26 0.10 0.00 0.00 0.00 0.00 51.96 53.29 3m9l s ALA 20 Cb -0.07 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3m9l s ALA 20 CO 0.00 -0.79 -0.07 0.14 0.00 0.00 0.00 175.76 175.04 3m9l s VAL 21 N -1.22 3.11 0.15 0.00 -7.23 -0.49 -4.85 120.40 109.87 3m9l s VAL 21 Ca 0.55 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3m9l s VAL 21 Cb -0.39 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 3m9l s VAL 21 CO 0.51 -0.38 -0.04 -1.00 -0.31 0.00 0.00 175.10 173.87 3m9l s HIS 22 N -2.38 1.15 -0.89 2.82 3.76 -1.26 -0.46 115.29 118.03 3m9l s HIS 22 Ca 0.31 -0.91 -0.25 0.00 -0.15 0.00 0.00 55.06 54.06 3m9l s HIS 22 Cb -0.06 -0.64 0.04 0.00 1.11 0.00 0.00 32.58 33.02 3m9l s HIS 22 CO 0.18 -0.11 1.42 0.34 -0.85 0.00 0.00 174.74 175.72 3m9l s ASP 23 N -3.14 6.27 0.21 1.40 -1.08 0.22 -4.85 116.67 115.70 3m9l s ASP 23 Ca 0.19 -0.96 -0.09 0.00 -0.52 0.00 0.00 52.55 51.17 3m9l s ASP 23 Cb 0.05 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 39.21 3m9l s ASP 23 CO 0.01 -1.72 1.80 -0.26 0.52 0.00 0.00 175.17 175.51 3m9l h PHE 24 N 10.12 0.65 -0.79 -5.34 0.04 -1.98 -1.30 116.94 118.34 3m9l h PHE 24 Ca -0.01 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3m9l h PHE 24 Cb 1.03 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 38.95 3m9l h PHE 24 CO 1.21 0.29 0.42 0.00 -0.60 0.00 0.00 178.31 179.62 3m9l h ALA 25 N 1.37 1.02 -0.53 2.45 0.00 -1.99 -0.06 119.26 121.51 3m9l h ALA 25 Ca 0.31 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3m9l h ALA 25 Cb 0.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3m9l h ALA 25 CO -0.21 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.47 3m9l h ALA 26 N 1.22 0.79 -0.41 0.00 0.00 -1.88 -1.76 119.26 117.21 3m9l h ALA 26 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3m9l h ALA 26 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m9l h ALA 26 CO -0.04 0.67 0.19 0.82 0.00 0.00 0.00 179.25 180.88 3m9l h ILE 27 N 0.89 1.18 -0.70 0.00 2.04 -0.95 -1.69 117.51 118.27 3m9l h ILE 27 Ca 0.14 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3m9l h ILE 27 Cb 0.67 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3m9l h ILE 27 CO 0.05 0.20 0.27 0.03 0.00 0.00 0.00 178.15 178.70 3m9l h ARG 28 N 0.52 1.03 0.13 2.37 3.08 -0.85 -0.55 114.38 120.12 3m9l h ARG 28 Ca 0.14 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3m9l h ARG 28 Cb 0.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3m9l h ARG 28 CO -0.02 0.84 -0.06 1.49 -1.07 0.00 0.00 179.97 181.15 3m9l h GLU 29 N 1.01 -0.17 -0.61 0.04 4.81 -1.24 -0.69 114.58 117.73 3m9l h GLU 29 Ca 0.23 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3m9l h GLU 29 Cb 0.20 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3m9l h GLU 29 CO -0.02 0.16 0.25 0.00 -0.73 0.00 0.00 179.01 178.66 3m9l h ALA 30 N 0.28 1.29 -0.36 2.92 0.00 -1.10 -2.98 119.26 119.31 3m9l h ALA 30 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3m9l h ALA 30 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3m9l h ALA 30 CO 0.03 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.09 3m9l n LEU 31 N -4.32 3.31 -3.55 0.00 4.77 -0.23 -4.98 117.00 111.99 3m9l n LEU 31 Ca 0.05 -1.41 -0.20 0.00 -0.03 0.00 0.00 56.01 54.42 3m9l n LEU 31 Cb 0.16 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3m9l n LEU 31 CO 0.39 0.71 0.11 -1.20 -1.33 0.00 0.00 177.39 176.07 3m9l n SER 32 N 1.40 -3.07 -4.70 -1.43 7.64 -0.54 -4.96 113.62 107.96 3m9l n SER 32 Ca 0.19 -0.65 -0.39 0.00 1.01 0.00 0.00 58.87 59.03 3m9l n SER 32 Cb 0.58 -4.84 -0.06 0.00 -1.01 0.00 0.00 64.21 58.89 3m9l n SER 32 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3m9l s ILE 33 N -3.40 5.12 0.51 0.44 -1.09 -0.38 -5.05 121.20 117.36 3m9l s ILE 33 Ca 0.18 1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 59.46 3m9l s ILE 33 Cb -0.08 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.86 3m9l s ILE 33 CO 0.75 0.24 1.24 -2.84 -1.23 0.00 0.00 174.94 173.11 3m9l s PRO 34 N 1.10 3.42 0.46 2.79 0.02 -1.26 -4.81 135.00 136.72 3m9l s PRO 34 Ca 0.28 1.95 0.16 0.00 0.02 0.00 0.00 61.00 63.41 3m9l s PRO 34 Cb -0.16 -2.28 1.12 0.00 0.02 0.00 0.00 34.50 33.20 3m9l s PRO 34 CO 0.11 -0.88 2.00 0.00 -0.33 0.00 0.00 177.00 177.91 3m9l h ALA 35 N 1.67 2.10 0.00 -1.55 0.00 -1.98 -1.86 119.26 117.64 3m9l h ALA 35 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3m9l h ALA 35 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3m9l h ALA 35 CO 0.58 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 180.01 3m9l n GLU 36 N -4.46 0.14 -4.16 0.00 4.71 -1.26 -4.82 120.64 110.78 3m9l n GLU 36 Ca 0.08 0.03 -0.33 0.00 -0.01 0.00 0.00 57.16 56.93 3m9l n GLU 36 Cb 0.38 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 29.23 3m9l n GLU 36 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3m9l s ASP 37 N -2.85 5.46 0.34 1.62 1.01 -0.70 -5.10 116.67 116.44 3m9l s ASP 37 Ca 0.18 0.08 -0.27 0.00 0.71 0.00 0.00 52.55 53.24 3m9l s ASP 37 Cb 0.18 -1.51 -0.09 0.00 1.01 0.00 0.00 42.92 42.51 3m9l s ASP 37 CO 0.47 0.27 1.15 -0.62 0.21 0.00 0.00 175.17 176.65 3m9l s ASP 38 N -1.72 6.90 0.10 0.27 2.15 -1.26 -4.80 116.67 118.31 3m9l s ASP 38 Ca 0.22 2.33 -0.29 0.00 0.43 0.00 0.00 52.55 55.24 3m9l s ASP 38 Cb -0.12 -2.62 -0.12 0.00 -0.30 0.00 0.00 42.92 39.76 3m9l s ASP 38 CO 0.13 -0.41 1.64 0.40 -0.17 0.00 0.00 175.17 176.76 3m9l h ILE 39 N 2.74 0.42 -0.42 4.11 2.04 -1.99 -0.65 117.51 123.77 3m9l h ILE 39 Ca -0.48 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 3m9l h ILE 39 Cb 1.22 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3m9l h ILE 39 CO 0.65 0.00 0.12 -0.07 0.00 0.00 0.00 178.15 178.84 3m9l h LEU 40 N -0.57 0.62 -0.83 1.44 3.38 -1.99 -1.30 115.31 116.06 3m9l h LEU 40 Ca -0.01 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 3m9l h LEU 40 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3m9l h LEU 40 CO -0.06 0.68 -0.03 0.71 0.09 0.00 0.00 178.44 179.83 3m9l h THR 41 N 0.54 1.25 -0.35 0.22 1.35 -1.96 -0.50 112.91 113.46 3m9l h THR 41 Ca 0.13 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.90 3m9l h THR 41 Cb 0.29 0.91 -0.02 0.00 -1.73 0.00 0.00 68.15 67.61 3m9l h THR 41 CO -0.00 0.38 0.18 -0.74 -0.25 0.00 0.00 175.52 175.09 3m9l h HIS 42 N 0.77 0.49 -0.71 4.73 -0.00 -0.94 -2.35 115.15 117.14 3m9l h HIS 42 Ca 0.14 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3m9l h HIS 42 Cb 0.52 -0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 3m9l h HIS 42 CO 0.03 0.40 0.33 -0.07 -0.00 0.00 0.00 177.93 178.62 3m9l h LEU 43 N 0.43 0.95 -1.78 0.26 3.38 -0.95 -2.37 115.31 115.23 3m9l h LEU 43 Ca 0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3m9l h LEU 43 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3m9l h LEU 43 CO -0.02 0.83 -0.14 0.00 0.09 0.00 0.00 178.44 179.20 3m9l h ALA 44 N 1.16 1.65 0.00 1.53 0.00 -0.92 -2.55 119.26 120.13 3m9l h ALA 44 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3m9l h ALA 44 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m9l h ALA 44 CO -0.03 0.18 -0.18 0.00 0.00 0.00 0.00 179.25 179.22 3m9l n ALA 45 N -2.46 2.53 -1.31 0.00 0.00 -0.90 -4.91 120.51 113.46 3m9l n ALA 45 Ca -0.02 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 3m9l n ALA 45 Cb 0.22 -1.38 0.08 0.00 0.00 0.00 0.00 19.45 18.37 3m9l n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3m9l s LEU 46 N -4.03 3.11 0.36 0.00 1.43 -0.96 -4.98 118.68 113.62 3m9l s LEU 46 Ca 0.10 1.88 -0.27 0.00 -1.03 0.00 0.00 54.13 54.82 3m9l s LEU 46 Cb 0.14 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.72 3m9l s LEU 46 CO 0.62 -1.97 1.14 -2.65 0.23 0.00 0.00 176.35 173.72 3m9l n PRO 47 N -3.27 1.69 -0.28 1.29 -0.02 -1.26 -4.64 135.00 128.52 3m9l n PRO 47 Ca 0.09 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.19 3m9l n PRO 47 Cb 0.53 -2.14 0.09 0.00 -0.02 0.00 0.00 33.50 31.96 3m9l n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m9l h ALA 48 N 2.06 0.51 -0.47 3.55 0.00 -1.94 -0.36 119.26 122.61 3m9l h ALA 48 Ca -0.44 0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3m9l h ALA 48 Cb 1.31 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3m9l h ALA 48 CO 0.60 -0.41 -0.10 -0.44 0.00 0.00 0.00 179.25 178.90 3m9l h ASP 49 N -0.00 0.83 -0.26 0.00 3.32 -1.99 -0.21 116.42 118.11 3m9l h ASP 49 Ca 0.38 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3m9l h ASP 49 Cb 0.58 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3m9l h ASP 49 CO -0.81 0.95 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.55 3m9l h GLU 50 N 0.76 0.48 -0.65 3.56 4.81 -1.69 -1.82 114.58 120.03 3m9l h GLU 50 Ca 0.13 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3m9l h GLU 50 Cb 0.60 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 3m9l h GLU 50 CO 0.04 0.67 0.41 1.03 -0.73 0.00 0.00 179.01 180.43 3m9l h SER 51 N 0.25 0.69 -0.59 1.04 0.87 -0.90 -1.78 113.55 113.13 3m9l h SER 51 Ca 0.07 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 3m9l h SER 51 Cb 0.47 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 3m9l h SER 51 CO 0.02 0.49 0.30 0.00 -0.53 0.00 0.00 176.83 177.11 3m9l h ALA 52 N 1.27 0.76 -0.68 6.23 0.00 -0.97 0.01 119.26 125.88 3m9l h ALA 52 Ca 0.25 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3m9l h ALA 52 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3m9l h ALA 52 CO -0.09 0.31 0.15 0.00 0.00 0.00 0.00 179.25 179.62 3m9l h ALA 53 N 1.13 0.89 -0.07 0.00 0.00 -1.03 -1.40 119.26 118.79 3m9l h ALA 53 Ca 0.21 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 3m9l h ALA 53 Cb 0.09 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.64 3m9l h ALA 53 CO -0.03 0.63 -0.93 0.87 0.00 0.00 0.00 179.25 179.79 3m9l h LYS 54 N 1.02 0.75 -0.89 0.00 1.57 -1.02 -1.61 116.57 116.39 3m9l h LYS 54 Ca 0.21 -0.72 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 3m9l h LYS 54 Cb 0.39 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 3m9l h LYS 54 CO 0.01 1.30 0.51 0.45 -0.57 0.00 0.00 179.45 181.14 3m9l h HIS 55 N 0.46 1.20 -0.74 -1.35 3.86 -0.98 -1.46 115.15 116.13 3m9l h HIS 55 Ca -0.10 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.05 3m9l h HIS 55 Cb 1.58 -0.39 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 3m9l h HIS 55 CO 0.10 0.81 0.30 0.00 0.86 0.00 0.00 177.93 180.00 3m9l h ALA 56 N 1.32 0.97 -0.62 2.45 0.00 -1.13 -1.59 119.26 120.66 3m9l h ALA 56 Ca 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3m9l h ALA 56 Cb -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3m9l h ALA 56 CO -0.05 0.59 0.21 2.35 0.00 0.00 0.00 179.25 182.35 3m9l h TRP 57 N 1.07 0.97 -0.35 0.00 7.01 -0.96 -0.30 115.95 123.38 3m9l h TRP 57 Ca 0.25 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3m9l h TRP 57 Cb 0.21 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3m9l h TRP 57 CO 0.02 0.79 0.16 1.25 -2.79 0.00 0.00 178.44 177.86 3m9l h LEU 58 N 0.87 0.47 -0.44 0.65 5.85 -0.94 -0.86 115.31 120.91 3m9l h LEU 58 Ca 0.20 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3m9l h LEU 58 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3m9l h LEU 58 CO -0.01 0.48 0.14 0.25 -0.34 0.00 0.00 178.44 178.96 3m9l h LEU 59 N 0.43 0.65 -1.60 2.25 5.85 -1.13 -2.43 115.31 119.32 3m9l h LEU 59 Ca 0.12 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.74 3m9l h LEU 59 Cb 0.15 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3m9l h LEU 59 CO -0.01 0.68 0.44 -0.08 -0.34 0.00 0.00 178.44 179.12 3m9l h GLU 60 N 0.58 0.43 -0.38 1.25 4.57 -0.69 -2.76 114.58 117.58 3m9l h GLU 60 Ca 0.14 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.22 3m9l h GLU 60 Cb 0.26 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.71 3m9l h GLU 60 CO -0.00 0.28 0.04 0.72 -1.18 0.00 0.00 179.01 178.87 3m9l n HIS 61 N -4.47 1.31 -0.20 0.92 8.25 -0.36 -4.69 115.22 115.99 3m9l n HIS 61 Ca 0.11 -1.08 -0.02 0.00 -0.26 0.00 0.00 57.72 56.47 3m9l n HIS 61 Cb 0.40 -0.43 0.09 0.00 1.12 0.00 0.00 29.99 31.17 3m9l n HIS 61 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3m9l h GLU 62 N 1.89 0.48 -0.23 -0.41 4.22 -1.14 -0.88 114.58 118.52 3m9l h GLU 62 Ca 0.10 -0.03 -0.19 0.00 0.08 0.00 0.00 59.36 59.32 3m9l h GLU 62 Cb 1.69 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.83 3m9l h GLU 62 CO 0.37 0.32 -0.60 0.00 -2.18 0.00 0.00 179.01 176.91 3m9l h ARG 63 N 0.50 0.76 -0.60 1.92 2.47 -1.85 -2.28 114.38 115.29 3m9l h ARG 63 Ca 0.28 -0.51 0.11 0.00 -1.26 0.00 0.00 59.98 58.59 3m9l h ARG 63 Cb 0.26 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 3m9l h ARG 63 CO -0.23 1.14 0.40 -0.44 0.56 0.00 0.00 179.97 181.40 3m9l h ASP 64 N 0.57 0.33 0.23 7.04 3.32 -1.71 -2.78 116.42 123.42 3m9l h ASP 64 Ca -0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3m9l h ASP 64 Cb 1.20 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3m9l h ASP 64 CO 0.13 0.20 -0.82 0.18 -1.72 0.00 0.00 179.24 177.20 3m9l n LEU 65 N -4.46 0.76 -4.77 1.55 4.77 -0.40 -4.97 117.00 109.48 3m9l n LEU 65 Ca 0.10 -0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 3m9l n LEU 65 Cb 0.40 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3m9l n LEU 65 CO 0.34 0.18 0.90 0.00 -1.33 0.00 0.00 177.39 177.48 3m9l s ALA 66 N -3.02 3.11 -0.40 -1.18 0.00 -0.87 -0.61 121.76 118.78 3m9l s ALA 66 Ca 0.09 1.10 0.11 0.00 0.00 0.00 0.00 51.96 53.26 3m9l s ALA 66 Cb 0.16 -3.44 0.38 0.00 0.00 0.00 0.00 23.12 20.23 3m9l s ALA 66 CO 0.80 -0.76 0.87 1.04 0.00 0.00 0.00 175.76 177.71 3m9l n GLN 67 N -0.17 1.73 0.00 0.00 6.02 0.39 -4.83 117.38 120.52 3m9l n GLN 67 Ca 0.06 -3.76 0.00 0.00 -0.01 0.00 0.00 57.00 53.29 3m9l n GLN 67 Cb 0.46 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3m9l n GLN 67 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3m9l n GLY 68 N 0.00 -0.38 3.25 1.08 0.00 -1.26 -4.66 105.19 103.22 3m9l n GLY 68 Ca 0.24 -1.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 3m9l n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3m9l s SER 69 N -4.00 1.39 0.14 1.61 0.01 -1.26 -1.40 113.70 110.19 3m9l s SER 69 Ca 0.00 -1.15 0.04 0.00 1.31 0.00 0.00 55.95 56.14 3m9l s SER 69 Cb 0.00 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 3m9l s SER 69 CO 0.00 -0.52 -0.08 -0.13 0.41 0.00 0.00 173.24 172.91 3m9l s ARG 70 N -3.88 1.02 0.40 12.44 1.81 -0.27 -4.86 118.95 125.60 3m9l s ARG 70 Ca 0.23 -1.44 -0.27 0.00 -1.72 0.00 0.00 55.73 52.54 3m9l s ARG 70 Cb 0.05 -0.50 -0.09 0.00 -0.45 0.00 0.00 34.95 33.96 3m9l s ARG 70 CO 0.04 0.03 1.35 -2.14 -0.68 0.00 0.00 175.30 173.91 3m9l s PRO 71 N -3.78 4.00 0.62 3.54 0.02 -1.26 -0.81 135.00 137.33 3m9l s PRO 71 Ca 0.16 2.28 -0.17 0.00 0.02 0.00 0.00 61.00 63.29 3m9l s PRO 71 Cb 0.04 -2.82 -0.02 0.00 0.02 0.00 0.00 34.50 31.71 3m9l s PRO 71 CO -0.00 -0.51 1.13 0.00 -0.33 0.00 0.00 177.00 177.29 3m9l s ALA 72 N -1.21 2.54 -0.04 -1.55 0.00 0.07 -4.71 121.76 116.85 3m9l s ALA 72 Ca 0.56 0.69 -0.35 0.00 0.00 0.00 0.00 51.96 52.85 3m9l s ALA 72 Cb -0.41 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.23 3m9l s ALA 72 CO 0.53 -1.12 1.75 -2.30 0.00 0.00 0.00 175.76 174.62 3m9l n PRO 73 N -1.99 1.94 -0.46 0.00 -0.02 -1.26 -1.28 135.00 131.94 3m9l n PRO 73 Ca 0.11 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3m9l n PRO 73 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3m9l n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m9l n GLY 74 N 3.99 1.99 0.11 -1.23 0.00 -1.26 -2.88 105.19 105.90 3m9l n GLY 74 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 3m9l n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9l h ALA 75 N 0.00 -0.17 -0.45 4.61 0.00 -1.51 0.01 119.26 121.75 3m9l h ALA 75 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3m9l h ALA 75 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3m9l h ALA 75 CO 0.00 -0.53 0.17 0.28 0.00 0.00 0.00 179.25 179.17 3m9l h VAL 76 N -0.31 0.86 -0.54 0.00 2.07 -1.88 -1.04 116.25 115.41 3m9l h VAL 76 Ca -0.02 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3m9l h VAL 76 Cb 0.25 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3m9l h VAL 76 CO 0.03 0.06 0.20 -0.33 0.02 0.00 0.00 177.57 177.55 3m9l h GLU 77 N 0.34 0.82 -0.19 1.57 3.07 -1.91 -0.76 114.58 117.53 3m9l h GLU 77 Ca 0.21 -0.16 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3m9l h GLU 77 Cb 0.20 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3m9l h GLU 77 CO -0.21 0.73 0.04 1.25 -1.40 0.00 0.00 179.01 179.42 3m9l h LEU 78 N 0.74 0.29 -0.57 1.33 5.85 -0.71 -1.05 115.31 121.19 3m9l h LEU 78 Ca 0.18 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3m9l h LEU 78 Cb 0.23 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3m9l h LEU 78 CO -0.01 0.46 0.28 0.58 -0.34 0.00 0.00 178.44 179.41 3m9l h VAL 79 N 0.11 1.20 -0.83 1.05 2.07 -1.01 -1.08 116.25 117.76 3m9l h VAL 79 Ca 0.06 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3m9l h VAL 79 Cb 0.28 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3m9l h VAL 79 CO 0.00 0.23 0.41 0.03 0.02 0.00 0.00 177.57 178.27 3m9l h ARG 80 N 0.77 1.19 -0.15 1.57 3.08 -1.08 0.55 114.38 120.32 3m9l h ARG 80 Ca 0.20 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.10 3m9l h ARG 80 Cb 0.11 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3m9l h ARG 80 CO -0.03 0.91 0.05 1.49 -1.07 0.00 0.00 179.97 181.32 3m9l h GLU 81 N 1.18 0.11 -0.29 0.04 4.57 -0.79 -0.03 114.58 119.37 3m9l h GLU 81 Ca 0.29 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 3m9l h GLU 81 Cb 0.10 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3m9l h GLU 81 CO -0.04 0.08 0.12 -0.07 -1.18 0.00 0.00 179.01 177.91 3m9l h LEU 82 N 0.12 0.41 -0.89 1.64 3.38 -0.94 -2.47 115.31 116.56 3m9l h LEU 82 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3m9l h LEU 82 Cb 0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3m9l h LEU 82 CO -0.07 0.46 0.54 0.00 0.09 0.00 0.00 178.44 179.46 3m9l h ALA 83 N 0.96 1.13 -0.22 1.53 0.00 -0.83 -2.10 119.26 119.72 3m9l h ALA 83 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3m9l h ALA 83 Cb 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3m9l h ALA 83 CO -0.01 0.58 0.15 0.78 0.00 0.00 0.00 179.25 180.75 3m9l h GLY 84 N 1.22 0.11 2.00 0.00 0.00 -0.72 -0.16 103.07 105.51 3m9l h GLY 84 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3m9l h GLY 84 CO -0.06 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.05 3m9l n ARG 85 N -4.49 0.08 -0.77 4.80 1.74 -0.82 -4.90 116.66 112.30 3m9l n ARG 85 Ca 0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3m9l n ARG 85 Cb 0.24 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3m9l n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m9l n GLY 86 N 0.79 0.56 3.76 -0.13 0.00 -0.07 -5.05 105.19 105.05 3m9l n GLY 86 Ca 0.05 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 3m9l n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3m9l s TYR 87 N -2.00 2.53 -0.14 1.61 1.51 -1.04 -5.01 117.35 114.81 3m9l s TYR 87 Ca 0.00 1.55 -0.18 0.00 -1.01 0.00 0.00 57.07 57.44 3m9l s TYR 87 Cb 0.00 -3.26 -0.04 0.00 -0.11 0.00 0.00 41.96 38.55 3m9l s TYR 87 CO 0.00 -1.83 0.47 1.03 -1.11 0.00 0.00 175.55 174.11 3m9l s ARG 88 N -3.84 4.29 -0.04 -0.62 1.81 -0.37 -4.67 118.95 115.51 3m9l s ARG 88 Ca 0.70 0.41 0.06 0.00 -1.72 0.00 0.00 55.73 55.17 3m9l s ARG 88 Cb -0.23 -3.47 -0.01 0.00 -0.45 0.00 0.00 34.95 30.79 3m9l s ARG 88 CO 0.38 0.08 -0.22 -0.51 -0.68 0.00 0.00 175.30 174.36 3m9l s LEU 89 N 0.89 2.01 0.24 2.53 1.43 -1.26 -1.54 118.68 122.98 3m9l s LEU 89 Ca 0.25 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3m9l s LEU 89 Cb -0.15 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 3m9l s LEU 89 CO 0.10 0.22 0.04 -0.83 0.23 0.00 0.00 176.35 176.11 3m9l s GLY 90 N -0.18 1.62 -0.04 -3.19 0.00 0.68 -4.34 107.32 101.88 3m9l s GLY 90 Ca -0.01 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 42.95 3m9l s GLY 90 CO 0.02 -1.63 -0.19 -0.42 0.00 0.00 0.00 173.10 170.88 3m9l s ILE 91 N -3.57 1.59 -0.21 0.90 -1.09 -0.26 -1.28 121.20 117.27 3m9l s ILE 91 Ca 0.32 -0.82 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 3m9l s ILE 91 Cb 0.07 -1.35 0.06 0.00 -1.58 0.00 0.00 42.46 39.66 3m9l s ILE 91 CO 0.10 0.45 -0.01 -0.22 -1.23 0.00 0.00 174.94 174.04 3m9l s LEU 92 N -0.11 1.88 0.03 2.97 2.96 -0.32 -0.21 118.68 125.88 3m9l s LEU 92 Ca -0.01 -0.99 0.00 0.00 -0.22 0.00 0.00 54.13 52.91 3m9l s LEU 92 Cb -0.11 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 3m9l s LEU 92 CO 0.02 -0.27 -0.04 0.28 -1.32 0.00 0.00 176.35 175.03 3m9l s THR 93 N 1.62 0.19 0.12 3.68 -1.32 -0.36 -4.18 115.64 115.39 3m9l s THR 93 Ca -0.03 -1.08 0.33 0.00 -1.21 0.00 0.00 61.69 59.70 3m9l s THR 93 Cb -0.18 -0.51 0.38 0.00 -1.51 0.00 0.00 72.50 70.68 3m9l s THR 93 CO -0.07 -0.57 1.98 0.08 -2.21 0.00 0.00 174.62 173.84 3m9l h ARG 94 N 4.38 0.00 -7.08 7.08 0.11 -1.90 -3.17 114.38 113.80 3m9l h ARG 94 Ca -0.33 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.23 3m9l h ARG 94 Cb 1.20 0.00 0.11 0.00 1.11 0.00 0.00 29.97 32.39 3m9l h ARG 94 CO 0.45 0.02 0.48 -0.80 0.10 0.00 0.00 179.97 180.22 3m9l s ASN 95 N -5.72 5.32 0.44 0.08 0.01 -1.26 -3.59 114.94 110.22 3m9l s ASN 95 Ca 0.01 2.40 -0.25 0.00 -0.71 0.00 0.00 52.86 54.30 3m9l s ASN 95 Cb 0.09 -2.60 -0.09 0.00 0.41 0.00 0.00 41.25 39.06 3m9l s ASN 95 CO 0.55 -1.50 1.40 0.00 -1.51 0.00 0.00 177.10 176.03 3m9l n ALA 96 N -1.42 1.88 -0.29 0.60 0.00 -1.26 -0.39 120.51 119.63 3m9l n ALA 96 Ca 0.13 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.84 3m9l n ALA 96 Cb 0.49 -2.37 0.15 0.00 0.00 0.00 0.00 19.45 17.73 3m9l n ALA 96 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3m9l h ARG 97 N 2.26 0.81 -0.77 0.00 2.43 -1.92 -1.15 114.38 116.05 3m9l h ARG 97 Ca -0.50 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.70 3m9l h ARG 97 Cb 1.27 -0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 30.57 3m9l h ARG 97 CO 0.61 0.54 0.43 0.93 -1.51 0.00 0.00 179.97 180.97 3m9l h GLU 98 N 0.84 0.73 -0.40 0.20 3.07 -1.98 0.25 114.58 117.29 3m9l h GLU 98 Ca 0.38 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.36 59.06 3m9l h GLU 98 Cb 0.29 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3m9l h GLU 98 CO -0.22 0.48 -0.27 1.25 -1.40 0.00 0.00 179.01 178.85 3m9l h LEU 99 N 0.75 0.94 -0.65 1.33 6.46 -1.72 -2.22 115.31 120.20 3m9l h LEU 99 Ca 0.36 -0.43 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 3m9l h LEU 99 Cb 0.29 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 3m9l h LEU 99 CO -0.22 1.17 0.30 0.00 -0.62 0.00 0.00 178.44 179.06 3m9l h ALA 100 N 0.80 0.85 -0.42 1.25 0.00 -0.46 -1.25 119.26 120.03 3m9l h ALA 100 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3m9l h ALA 100 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3m9l h ALA 100 CO 0.07 0.43 0.26 1.25 0.00 0.00 0.00 179.25 181.26 3m9l h HIS 101 N 0.91 0.54 -0.55 0.00 -0.00 -0.48 0.03 115.15 115.61 3m9l h HIS 101 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3m9l h HIS 101 Cb 0.15 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 3m9l h HIS 101 CO 0.01 0.38 0.35 0.28 -0.00 0.00 0.00 177.93 178.94 3m9l h VAL 102 N 0.55 1.15 -0.11 5.26 2.07 -1.22 -1.37 116.25 122.59 3m9l h VAL 102 Ca 0.15 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3m9l h VAL 102 Cb -0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3m9l h VAL 102 CO -0.03 0.15 0.06 0.74 0.02 0.00 0.00 177.57 178.51 3m9l h THR 103 N 0.74 1.07 -0.64 2.57 2.02 -0.93 -1.28 112.91 116.46 3m9l h THR 103 Ca 0.20 -0.19 0.09 0.00 0.77 0.00 0.00 66.41 67.28 3m9l h THR 103 Cb -0.05 1.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 3m9l h THR 103 CO -0.04 0.06 0.28 -0.07 0.37 0.00 0.00 175.52 176.13 3m9l h LEU 104 N 0.10 0.34 -0.33 2.58 3.38 -0.82 -1.44 115.31 119.12 3m9l h LEU 104 Ca 0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3m9l h LEU 104 Cb 0.05 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3m9l h LEU 104 CO -0.01 0.20 0.18 -0.33 0.09 0.00 0.00 178.44 178.57 3m9l h GLU 105 N 0.50 0.35 -0.67 1.13 4.39 -1.05 0.29 114.58 119.52 3m9l h GLU 105 Ca 0.31 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.01 3m9l h GLU 105 Cb 0.34 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3m9l h GLU 105 CO -0.27 0.23 0.44 0.00 -1.16 0.00 0.00 179.01 178.25 3m9l h ALA 106 N 1.17 1.58 -0.37 3.43 0.00 -0.43 -2.06 119.26 122.57 3m9l h ALA 106 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m9l h ALA 106 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3m9l h ALA 106 CO -0.09 0.36 0.00 0.44 0.00 0.00 0.00 179.25 179.97 3m9l n ILE 107 N -4.45 0.48 -2.40 0.00 -5.35 -0.62 -4.95 119.36 102.07 3m9l n ILE 107 Ca 0.08 -0.64 -0.08 0.00 -0.27 0.00 0.00 62.75 61.84 3m9l n ILE 107 Cb 0.09 0.70 0.01 0.00 -1.74 0.00 0.00 39.64 38.70 3m9l n ILE 107 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3m9l n GLY 108 N 1.39 0.19 0.00 3.28 0.00 -0.78 -4.94 105.19 104.34 3m9l n GLY 108 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3m9l n GLY 108 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m9l n LEU 109 N -1.41 1.53 0.25 0.99 4.77 0.03 -4.78 117.00 118.38 3m9l n LEU 109 Ca -0.06 -1.53 0.09 0.00 -0.03 0.00 0.00 56.01 54.49 3m9l n LEU 109 Cb 0.55 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.29 3m9l n LEU 109 CO 0.15 0.38 1.00 0.00 -1.33 0.00 0.00 177.39 177.59 3m9l h ALA 110 N 0.00 1.68 -0.00 -1.18 0.00 -1.83 -1.40 119.26 116.53 3m9l h ALA 110 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3m9l h ALA 110 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3m9l h ALA 110 CO 0.00 0.11 -0.01 -0.25 0.00 0.00 0.00 179.25 179.10 3m9l n ASP 111 N -4.18 0.49 -0.12 0.00 8.00 -1.26 -3.53 116.55 115.95 3m9l n ASP 111 Ca -0.03 -1.06 0.12 0.00 0.71 0.00 0.00 54.79 54.53 3m9l n ASP 111 Cb 0.17 -0.02 0.19 0.00 -0.02 0.00 0.00 41.12 41.45 3m9l n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m9l s PHE 113 N -2.81 1.26 0.35 0.00 0.08 -1.23 -4.52 117.98 111.10 3m9l s PHE 113 Ca 0.15 -0.43 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 3m9l s PHE 113 Cb 0.18 -0.94 -0.11 0.00 -0.57 0.00 0.00 43.02 41.58 3m9l s PHE 113 CO 0.67 -0.23 1.36 0.00 -0.10 0.00 0.00 175.22 176.92 3m9l s ALA 114 N 0.63 3.52 0.30 5.36 0.00 -1.26 -4.92 121.76 125.39 3m9l s ALA 114 Ca -0.12 1.36 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 3m9l s ALA 114 Cb -0.15 -3.52 0.47 0.00 0.00 0.00 0.00 23.12 19.92 3m9l s ALA 114 CO 0.03 -0.77 1.95 0.93 0.00 0.00 0.00 175.76 177.90 3m9l h GLU 115 N 3.27 1.00 0.00 0.00 5.08 -1.96 -0.09 114.58 121.88 3m9l h GLU 115 Ca -0.50 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 57.78 3m9l h GLU 115 Cb 1.23 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 3m9l h GLU 115 CO 0.65 0.70 -0.02 0.00 -1.00 0.00 0.00 179.01 179.34 3m9l h ALA 116 N 1.48 1.03 -0.26 3.43 0.00 -2.01 -2.64 119.26 120.30 3m9l h ALA 116 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3m9l h ALA 116 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3m9l h ALA 116 CO -0.05 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.97 3m9l n ASP 117 N -3.15 2.25 -4.38 0.00 8.00 -0.05 -4.68 116.55 114.53 3m9l n ASP 117 Ca -0.01 -1.83 -0.45 0.00 0.71 0.00 0.00 54.79 53.22 3m9l n ASP 117 Cb 0.20 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 3m9l n ASP 117 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3m9l s VAL 118 N -1.67 5.14 -0.29 2.53 1.01 -0.99 -1.10 120.40 125.03 3m9l s VAL 118 Ca 0.34 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 3m9l s VAL 118 Cb 0.19 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3m9l s VAL 118 CO 0.27 -0.70 0.18 -0.76 0.00 0.00 0.00 175.10 174.08 3m9l s LEU 119 N 1.86 4.05 0.00 3.92 1.43 0.70 -4.94 118.68 125.71 3m9l s LEU 119 Ca 0.06 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3m9l s LEU 119 Cb -0.24 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 43.89 3m9l s LEU 119 CO 0.07 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.16 3m9l n GLY 120 N 5.04 3.55 0.34 -3.19 0.00 -1.26 -1.23 105.19 108.45 3m9l n GLY 120 Ca -0.14 -2.11 0.16 0.00 0.00 0.00 0.00 46.02 43.93 3m9l n GLY 120 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3m9l h ARG 121 N 0.00 0.00 -0.01 1.61 2.43 -0.69 -1.24 114.38 116.49 3m9l h ARG 121 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3m9l h ARG 121 Cb 0.00 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3m9l h ARG 121 CO 0.00 0.00 -0.20 -0.25 -1.51 0.00 0.00 179.97 178.01 3m9l n ASP 122 N -5.48 1.03 -0.27 -3.80 8.00 -1.26 -4.10 116.55 110.68 3m9l n ASP 122 Ca 0.25 -0.95 0.08 0.00 0.71 0.00 0.00 54.79 54.87 3m9l n ASP 122 Cb 0.82 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.98 3m9l n ASP 122 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3m9l n GLU 123 N -0.55 1.73 -3.56 -1.24 4.71 -0.47 -5.01 120.64 116.24 3m9l n GLU 123 Ca 0.14 -0.60 -0.15 0.00 -0.01 0.00 0.00 57.16 56.53 3m9l n GLU 123 Cb 0.34 -1.27 -0.06 0.00 -1.01 0.00 0.00 31.44 29.44 3m9l n GLU 123 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3m9l s ALA 124 N -2.06 -1.81 0.75 0.62 0.00 -1.21 -4.86 121.76 113.20 3m9l s ALA 124 Ca 0.11 1.58 -0.14 0.00 0.00 0.00 0.00 51.96 53.52 3m9l s ALA 124 Cb 0.13 -0.50 0.05 0.00 0.00 0.00 0.00 23.12 22.80 3m9l s ALA 124 CO 0.47 -0.35 1.16 -1.25 0.00 0.00 0.00 175.76 175.79 3m9l s PRO 125 N -0.67 2.10 0.34 0.00 0.04 -1.26 -4.80 135.00 130.75 3m9l s PRO 125 Ca -0.06 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 3m9l s PRO 125 Cb -0.02 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 3m9l s PRO 125 CO 0.05 -1.82 1.48 -2.30 0.04 0.00 0.00 177.00 174.45 3m9l n PRO 126 N -3.02 2.54 -1.72 0.56 -0.02 -1.26 -4.66 135.00 127.42 3m9l n PRO 126 Ca 0.12 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 62.11 3m9l n PRO 126 Cb 0.51 -2.61 0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3m9l n PRO 126 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3m9l n LYS 127 N 1.01 1.61 -0.58 -0.52 5.02 -1.26 -1.61 118.16 121.83 3m9l n LYS 127 Ca 0.04 0.59 0.01 0.00 -2.02 0.00 0.00 58.31 56.93 3m9l n LYS 127 Cb 0.37 -2.51 0.22 0.00 -0.02 0.00 0.00 35.03 33.10 3m9l n LYS 127 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3m9l n PRO 128 N -0.93 3.07 -1.73 1.97 -0.04 -1.26 -5.04 135.00 131.04 3m9l n PRO 128 Ca 0.11 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 61.27 3m9l n PRO 128 Cb 0.44 -1.92 -0.01 0.00 -0.04 0.00 0.00 33.50 31.97 3m9l n PRO 128 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3m9l n HIS 129 N 0.22 2.71 1.31 0.54 8.25 -0.63 -3.97 115.22 123.64 3m9l n HIS 129 Ca 0.20 0.37 0.15 0.00 -0.26 0.00 0.00 57.72 58.18 3m9l n HIS 129 Cb 0.89 -2.54 0.72 0.00 1.12 0.00 0.00 29.99 30.19 3m9l n HIS 129 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3m9l n PRO 130 N 1.48 0.31 -0.29 -0.41 -0.04 -1.26 -4.41 135.00 130.38 3m9l n PRO 130 Ca 0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.64 3m9l n PRO 130 Cb 0.36 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.60 3m9l n PRO 130 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3m9l h GLY 131 N 4.98 1.39 1.01 0.55 0.00 -1.90 -1.58 103.07 107.52 3m9l h GLY 131 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3m9l h GLY 131 CO 0.00 -0.27 0.20 -1.33 0.00 0.00 0.00 176.54 175.13 3m9l h GLY 132 N 0.33 1.03 1.67 4.60 0.00 -1.83 0.42 103.07 109.29 3m9l h GLY 132 Ca 0.53 -0.60 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 3m9l h GLY 132 CO -0.55 0.57 -0.51 1.41 0.00 0.00 0.00 176.54 177.45 3m9l h LEU 133 N 0.88 0.39 -0.90 3.11 3.38 -1.64 -2.44 115.31 118.10 3m9l h LEU 133 Ca 0.20 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3m9l h LEU 133 Cb 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3m9l h LEU 133 CO -0.01 0.84 -0.10 -0.07 0.09 0.00 0.00 178.44 179.19 3m9l h LEU 134 N 0.28 0.69 -0.38 1.67 3.38 -1.06 0.12 115.31 120.00 3m9l h LEU 134 Ca 0.01 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3m9l h LEU 134 Cb 1.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3m9l h LEU 134 CO 0.09 0.82 0.24 0.50 0.09 0.00 0.00 178.44 180.17 3m9l h LYS 135 N 0.64 0.48 -0.35 1.13 3.64 -0.65 0.61 116.57 122.07 3m9l h LYS 135 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3m9l h LYS 135 Cb 0.54 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3m9l h LYS 135 CO 0.03 0.31 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.46 3m9l h LEU 136 N 0.49 0.60 -0.85 5.20 3.38 -1.17 -1.13 115.31 121.83 3m9l h LEU 136 Ca 0.15 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.91 3m9l h LEU 136 Cb -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.48 3m9l h LEU 136 CO -0.05 0.76 0.49 0.00 0.09 0.00 0.00 178.44 179.74 3m9l h ALA 137 N 0.86 1.22 -0.11 1.53 0.00 -0.48 0.12 119.26 122.39 3m9l h ALA 137 Ca 0.10 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3m9l h ALA 137 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3m9l h ALA 137 CO 0.02 0.11 -0.02 1.49 0.00 0.00 0.00 179.25 180.85 3m9l h GLU 138 N 0.81 0.21 -0.92 0.00 4.22 -0.77 -0.09 114.58 118.04 3m9l h GLU 138 Ca 0.41 -0.07 0.01 0.00 0.08 0.00 0.00 59.36 59.79 3m9l h GLU 138 Cb 0.39 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 3m9l h GLU 138 CO -0.25 0.49 0.61 0.00 -2.18 0.00 0.00 179.01 177.67 3m9l h ALA 139 N 0.71 1.34 -0.00 2.92 0.00 -0.79 -1.82 119.26 121.62 3m9l h ALA 139 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m9l h ALA 139 Cb 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3m9l h ALA 139 CO 0.01 0.61 -0.22 0.91 0.00 0.00 0.00 179.25 180.56 3m9l n TRP 140 N -4.39 0.00 -4.03 0.00 8.01 -0.01 -4.97 117.44 112.05 3m9l n TRP 140 Ca 0.11 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.85 3m9l n TRP 140 Cb 0.02 -0.27 0.02 0.00 -2.01 0.00 0.00 31.31 29.07 3m9l n TRP 140 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 3m9l n ASP 141 N -1.21 -4.29 -4.05 -0.99 2.03 -0.11 -4.98 116.55 102.95 3m9l n ASP 141 Ca 0.10 -1.27 -0.17 0.00 0.52 0.00 0.00 54.79 53.97 3m9l n ASP 141 Cb 0.32 -1.82 -0.13 0.00 -0.72 0.00 0.00 41.12 38.76 3m9l n ASP 141 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3m9l s VAL 142 N -3.50 0.69 0.22 5.18 0.11 -0.80 -5.05 120.40 117.26 3m9l s VAL 142 Ca 0.48 -0.66 -0.32 0.00 -2.93 0.00 0.00 61.98 58.54 3m9l s VAL 142 Cb -0.25 -0.64 -0.13 0.00 -1.53 0.00 0.00 36.38 33.83 3m9l s VAL 142 CO 0.96 -0.01 1.60 -0.24 -3.33 0.00 0.00 175.10 174.07 3m9l n SER 143 N 2.30 3.46 0.10 3.54 2.88 -1.26 -4.74 113.62 119.90 3m9l n SER 143 Ca -0.17 1.10 0.16 0.00 -1.33 0.00 0.00 58.87 58.63 3m9l n SER 143 Cb 0.56 -1.51 0.68 0.00 -0.75 0.00 0.00 64.21 63.20 3m9l n SER 143 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3m9l h PRO 144 N 5.64 0.00 0.00 -1.46 0.11 -1.88 0.01 132.00 134.42 3m9l h PRO 144 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3m9l h PRO 144 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3m9l h PRO 144 CO 0.87 0.00 0.01 0.66 -0.21 0.00 0.00 178.00 179.33 3m9l h SER 145 N 0.00 0.00 -2.23 -2.05 4.64 -1.87 -3.32 113.55 108.72 3m9l h SER 145 Ca 0.16 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.77 3m9l h SER 145 Cb 0.64 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.39 3m9l h SER 145 CO -0.00 0.00 0.26 0.54 -0.87 0.00 0.00 176.83 176.76 3m9l n ARG 146 N -2.37 4.34 0.00 4.77 1.74 -0.01 -4.61 116.66 120.51 3m9l n ARG 146 Ca -0.02 -4.70 0.00 0.00 -0.77 0.00 0.00 57.85 52.36 3m9l n ARG 146 Cb 0.05 -2.36 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 3m9l n ARG 146 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 3m9l n VAL 148 N -0.17 0.00 -3.50 1.55 3.14 -0.66 -3.94 118.33 114.75 3m9l n VAL 148 Ca 0.40 0.00 0.01 0.00 -2.96 0.00 0.00 64.34 61.79 3m9l n VAL 148 Cb 0.33 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.06 3m9l n VAL 148 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 3m9l s VAL 150 N -2.43 -0.19 0.22 1.55 1.01 0.17 -0.62 120.40 120.10 3m9l s VAL 150 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3m9l s VAL 150 Cb 0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3m9l s VAL 150 CO 0.00 0.00 0.40 0.61 0.00 0.00 0.00 175.10 176.11 3m9l n GLY 151 N 4.19 1.86 0.04 4.51 0.00 -0.59 -1.35 105.19 113.84 3m9l n GLY 151 Ca -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3m9l n GLY 151 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3m9l n ASP 152 N -1.52 0.76 -3.92 1.61 5.75 -1.26 -1.10 116.55 116.87 3m9l n ASP 152 Ca -0.03 -1.49 -0.10 0.00 -0.01 0.00 0.00 54.79 53.16 3m9l n ASP 152 Cb 0.35 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.31 3m9l n ASP 152 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3m9l s TYR 153 N -0.45 0.16 0.37 2.11 6.14 -1.26 -4.91 117.35 119.51 3m9l s TYR 153 Ca 0.01 -0.41 0.04 0.00 0.64 0.00 0.00 57.07 57.35 3m9l s TYR 153 Cb 0.01 -0.12 0.71 0.00 0.42 0.00 0.00 41.96 42.98 3m9l s TYR 153 CO 0.00 -0.33 2.03 -0.09 0.64 0.00 0.00 175.55 177.80 3m9l h ARG 154 N 3.92 0.74 0.00 4.97 2.43 -2.00 -1.96 114.38 122.48 3m9l h ARG 154 Ca -0.32 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3m9l h ARG 154 Cb 1.19 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3m9l h ARG 154 CO 0.47 0.49 -0.03 0.27 -1.51 0.00 0.00 179.97 179.66 3m9l h PHE 155 N 0.76 0.00 -0.25 2.20 -0.00 -1.97 0.89 116.94 118.57 3m9l h PHE 155 Ca 0.21 0.00 -0.07 0.00 -0.00 0.00 0.00 57.97 58.11 3m9l h PHE 155 Cb -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.86 3m9l h PHE 155 CO 0.00 0.03 -0.11 -0.44 -0.00 0.00 0.00 178.31 177.79 3m9l h ASP 156 N 0.00 0.53 -0.28 -0.68 3.32 -1.77 -0.61 116.42 116.94 3m9l h ASP 156 Ca -0.00 -0.40 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 3m9l h ASP 156 Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3m9l h ASP 156 CO 0.00 0.81 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.11 3m9l h LEU 157 N 0.25 0.62 -1.01 1.55 3.38 -1.38 -1.41 115.31 117.32 3m9l h LEU 157 Ca 0.06 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.63 3m9l h LEU 157 Cb 0.60 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 3m9l h LEU 157 CO 0.03 0.91 0.66 0.44 0.09 0.00 0.00 178.44 180.58 3m9l h ASP 158 N 0.34 1.14 -0.06 -0.43 3.32 -0.88 -0.46 116.42 119.39 3m9l h ASP 158 Ca 0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3m9l h ASP 158 Cb 0.68 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3m9l h ASP 158 CO 0.05 0.81 0.04 0.00 -1.72 0.00 0.00 179.24 178.41 3m9l h GLY 160 N 0.03 0.46 1.22 0.00 0.00 -1.01 -0.68 103.07 103.08 3m9l h GLY 160 Ca 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3m9l h GLY 160 CO -0.00 0.03 0.33 3.21 0.00 0.00 0.00 176.54 180.10 3m9l h ARG 161 N 0.28 1.01 -0.41 4.80 2.47 -0.90 0.53 114.38 122.16 3m9l h ARG 161 Ca 0.17 -0.14 -0.12 0.00 -1.26 0.00 0.00 59.98 58.62 3m9l h ARG 161 Cb 0.14 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 3m9l h ARG 161 CO -0.17 0.79 -0.22 0.00 0.56 0.00 0.00 179.97 180.93 3m9l h ALA 162 N 1.35 0.84 0.00 0.04 0.00 -0.66 -2.96 119.26 117.87 3m9l h ALA 162 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m9l h ALA 162 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3m9l h ALA 162 CO -0.03 0.64 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 3m9l h ALA 163 N 1.03 1.00 0.00 0.00 0.00 -0.68 -3.47 119.26 117.14 3m9l h ALA 163 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m9l h ALA 163 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3m9l h ALA 163 CO 0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.72 3m9l n GLY 164 N 1.10 0.77 3.90 0.00 0.00 -0.02 -4.82 105.19 106.13 3m9l n GLY 164 Ca 0.04 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3m9l n GLY 164 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3m9l s THR 165 N -2.00 3.47 0.82 2.61 -4.23 -0.09 -2.91 115.64 113.31 3m9l s THR 165 Ca 0.00 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.59 3m9l s THR 165 Cb 0.00 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.49 3m9l s THR 165 CO 0.00 -0.50 1.09 -0.13 -0.54 0.00 0.00 174.62 174.54 3m9l s ARG 166 N -5.18 1.89 0.01 3.99 1.81 -1.25 -4.37 118.95 115.85 3m9l s ARG 166 Ca 0.56 0.75 0.03 0.00 -1.72 0.00 0.00 55.73 55.35 3m9l s ARG 166 Cb -0.11 -1.89 -0.01 0.00 -0.45 0.00 0.00 34.95 32.49 3m9l s ARG 166 CO 0.48 -1.79 -0.09 0.95 -0.68 0.00 0.00 175.30 174.18 3m9l s THR 167 N -3.06 0.67 -0.06 0.02 -4.23 -1.26 -4.31 115.64 103.40 3m9l s THR 167 Ca 0.61 -0.57 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3m9l s THR 167 Cb -0.16 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.09 3m9l s THR 167 CO 0.55 0.04 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.85 3m9l s VAL 168 N -0.51 1.21 -0.18 2.29 1.01 -1.26 -1.47 120.40 121.50 3m9l s VAL 168 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 3m9l s VAL 168 Cb -0.05 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 3m9l s VAL 168 CO 0.00 0.37 0.24 -0.22 0.00 0.00 0.00 175.10 175.49 3m9l s LEU 169 N 0.51 4.21 0.32 3.92 2.96 -0.65 -1.55 118.68 128.41 3m9l s LEU 169 Ca -0.12 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.24 3m9l s LEU 169 Cb -0.15 -2.27 -0.06 0.00 0.50 0.00 0.00 46.19 44.21 3m9l s LEU 169 CO 0.04 0.11 -0.05 0.68 -1.32 0.00 0.00 176.35 175.80 3m9l s VAL 170 N 0.56 1.83 -0.93 1.68 -7.23 -0.25 -1.04 120.40 115.02 3m9l s VAL 170 Ca 0.13 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3m9l s VAL 170 Cb -0.13 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.20 3m9l s VAL 170 CO 0.02 -0.20 0.00 0.59 -0.31 0.00 0.00 175.10 175.20 3m9l n ASN 171 N -0.71 -4.28 -4.19 4.85 3.02 -0.73 -4.26 115.26 108.96 3m9l n ASN 171 Ca -0.05 0.22 -0.19 0.00 -0.03 0.00 0.00 54.58 54.53 3m9l n ASN 171 Cb 0.64 -2.55 -0.12 0.00 -0.61 0.00 0.00 39.78 37.14 3m9l n ASN 171 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3m9l s LEU 172 N -1.99 2.30 0.00 3.41 1.43 -1.25 -5.01 118.68 117.58 3m9l s LEU 172 Ca 0.00 -0.66 0.28 0.00 -1.03 0.00 0.00 54.13 52.72 3m9l s LEU 172 Cb 0.00 -0.54 1.14 0.00 0.03 0.00 0.00 46.19 46.81 3m9l s LEU 172 CO 0.00 -0.08 1.80 -0.81 0.23 0.00 0.00 176.35 177.49 3m9l n PRO 173 N 1.11 0.82 0.00 1.29 -0.04 -1.26 -4.03 135.00 132.89 3m9l n PRO 173 Ca -0.20 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.92 3m9l n PRO 173 Cb 0.55 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3m9l n PRO 173 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3m9l n ASP 174 N -0.79 0.21 -3.42 3.54 5.68 -1.26 -4.80 116.55 115.71 3m9l n ASP 174 Ca 0.15 0.00 -0.26 0.00 -0.50 0.00 0.00 54.79 54.18 3m9l n ASP 174 Cb 0.29 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 3m9l n ASP 174 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3m9l n ASN 175 N 0.00 1.92 0.25 -1.12 5.15 -1.26 -4.87 115.26 115.33 3m9l n ASN 175 Ca 0.00 -3.02 0.14 0.00 -0.60 0.00 0.00 54.58 51.10 3m9l n ASN 175 Cb 0.00 -0.66 0.49 0.00 -0.53 0.00 0.00 39.78 39.08 3m9l n ASN 175 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3m9l h PRO 176 N 4.52 0.00 -2.19 1.20 0.13 -1.99 -3.32 132.00 130.34 3m9l h PRO 176 Ca 0.16 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.70 3m9l h PRO 176 Cb 0.78 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.49 3m9l h PRO 176 CO 0.63 0.05 -0.68 0.91 -0.23 0.00 0.00 178.00 178.68 3m9l n TRP 177 N -3.14 3.26 0.22 1.56 8.01 -1.26 -4.97 117.44 121.12 3m9l n TRP 177 Ca 0.02 -4.04 0.07 0.00 -1.31 0.00 0.00 57.50 52.23 3m9l n TRP 177 Cb 0.40 -0.51 0.59 0.00 -2.01 0.00 0.00 31.31 29.78 3m9l n TRP 177 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3m9l h PRO 178 N 3.74 0.08 0.00 -0.99 0.13 -1.90 -0.70 132.00 132.36 3m9l h PRO 178 Ca 0.16 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 3m9l h PRO 178 Cb 0.65 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 3m9l h PRO 178 CO 0.78 0.07 -0.18 0.93 -0.23 0.00 0.00 178.00 179.37 3m9l h GLU 179 N 0.08 0.00 -0.01 0.86 5.08 -1.94 -3.10 114.58 115.55 3m9l h GLU 179 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3m9l h GLU 179 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3m9l h GLU 179 CO -0.00 0.18 -0.70 1.28 -1.00 0.00 0.00 179.01 178.77 3m9l n LEU 180 N -3.25 1.32 -4.12 1.33 4.77 -0.31 -4.92 117.00 111.81 3m9l n LEU 180 Ca 0.01 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.14 3m9l n LEU 180 Cb 0.47 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 3m9l n LEU 180 CO 0.33 0.28 -0.49 -0.89 -1.33 0.00 0.00 177.39 175.29 3m9l s THR 181 N -2.77 2.21 -0.03 -5.08 2.01 -0.94 -4.76 115.64 106.28 3m9l s THR 181 Ca 0.13 -1.16 -0.21 0.00 0.31 0.00 0.00 61.69 60.76 3m9l s THR 181 Cb 0.17 -2.07 -0.29 0.00 0.01 0.00 0.00 72.50 70.32 3m9l s THR 181 CO 0.72 0.32 0.95 0.44 -0.69 0.00 0.00 174.62 176.36 3m9l h ASP 182 N 7.90 0.49 -4.61 3.53 3.32 -1.54 -3.47 116.42 122.04 3m9l h ASP 182 Ca -0.36 -0.91 -0.34 0.00 0.02 0.00 0.00 57.03 55.45 3m9l h ASP 182 Cb 1.11 -0.16 -0.22 0.00 0.22 0.00 0.00 39.33 40.28 3m9l h ASP 182 CO 0.58 1.35 -0.76 0.26 -1.72 0.00 0.00 179.24 178.95 3m9l s TRP 183 N -2.63 0.91 0.04 4.55 0.51 -0.65 -5.02 118.94 116.65 3m9l s TRP 183 Ca -0.13 -0.47 0.04 0.00 -2.12 0.00 0.00 56.10 53.42 3m9l s TRP 183 Cb 0.02 -0.53 -0.02 0.00 -0.81 0.00 0.00 33.47 32.13 3m9l s TRP 183 CO 0.83 -0.02 -0.12 -3.38 -0.51 0.00 0.00 176.95 173.75 3m9l s HIS 184 N -1.28 1.04 0.01 -1.98 -3.43 -1.26 -1.63 115.29 106.76 3m9l s HIS 184 Ca -0.06 -0.37 -0.08 0.00 -0.80 0.00 0.00 55.06 53.74 3m9l s HIS 184 Cb -0.10 -0.61 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 3m9l s HIS 184 CO 0.01 0.01 0.16 0.00 -2.00 0.00 0.00 174.74 172.92 3m9l s ALA 185 N -0.96 -0.36 0.45 -1.38 0.00 -0.21 -4.96 121.76 114.34 3m9l s ALA 185 Ca -0.01 -0.14 0.16 0.00 0.00 0.00 0.00 51.96 51.97 3m9l s ALA 185 Cb -0.08 0.14 1.06 0.00 0.00 0.00 0.00 23.12 24.24 3m9l s ALA 185 CO 0.01 -0.24 2.01 0.07 0.00 0.00 0.00 175.76 177.61 3m9l h ARG 186 N 4.07 0.00 0.00 0.00 0.11 -1.86 -3.19 114.38 113.51 3m9l h ARG 186 Ca -0.31 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.84 3m9l h ARG 186 Cb 1.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 3m9l h ARG 186 CO 0.42 0.17 0.41 -0.40 0.10 0.00 0.00 179.97 180.67 3m9l n ASP 187 N -4.26 -1.81 0.23 0.08 5.68 -1.26 -1.78 116.55 113.43 3m9l n ASP 187 Ca -0.02 -2.11 0.09 0.00 -0.50 0.00 0.00 54.79 52.24 3m9l n ASP 187 Cb 0.24 2.98 0.55 0.00 -1.14 0.00 0.00 41.12 43.75 3m9l n ASP 187 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3m9l h ALA 189 N 1.78 0.56 -0.29 0.00 0.00 -1.72 -0.94 119.26 118.66 3m9l h ALA 189 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 3m9l h ALA 189 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3m9l h ALA 189 CO 0.03 0.38 -0.21 0.37 0.00 0.00 0.00 179.25 179.82 3m9l h GLN 190 N 0.58 0.53 -0.82 0.00 4.15 -1.82 -1.98 115.11 115.76 3m9l h GLN 190 Ca 0.11 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.36 3m9l h GLN 190 Cb 0.54 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3m9l h GLN 190 CO 0.03 0.72 0.54 1.25 -1.93 0.00 0.00 178.83 179.43 3m9l h LEU 191 N 0.48 0.92 -0.81 -2.39 5.85 -1.13 0.13 115.31 118.36 3m9l h LEU 191 Ca 0.07 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3m9l h LEU 191 Cb 0.64 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3m9l h LEU 191 CO 0.05 0.66 0.14 -0.09 -0.34 0.00 0.00 178.44 178.85 3m9l h ARG 192 N 1.08 1.03 -0.39 1.25 2.43 -0.88 0.18 114.38 119.09 3m9l h ARG 192 Ca 0.31 -0.25 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3m9l h ARG 192 Cb -0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 3m9l h ARG 192 CO -0.08 0.93 0.15 -0.44 -1.51 0.00 0.00 179.97 179.03 3m9l h ASP 193 N 0.98 0.53 -0.34 -3.80 3.32 -0.74 -1.84 116.42 114.53 3m9l h ASP 193 Ca 0.20 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3m9l h ASP 193 Cb 0.38 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3m9l h ASP 193 CO 0.00 0.55 0.14 0.25 -1.72 0.00 0.00 179.24 178.47 3m9l h LEU 194 N 0.48 0.17 -0.65 1.55 5.85 -0.41 -1.32 115.31 120.98 3m9l h LEU 194 Ca 0.13 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3m9l h LEU 194 Cb 0.19 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3m9l h LEU 194 CO -0.01 0.14 0.22 0.25 -0.34 0.00 0.00 178.44 178.70 3m9l h LEU 195 N 0.29 0.18 -0.78 2.25 5.85 -0.86 -0.14 115.31 122.10 3m9l h LEU 195 Ca 0.15 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 3m9l h LEU 195 Cb 0.10 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3m9l h LEU 195 CO -0.13 0.09 -0.18 0.77 -0.34 0.00 0.00 178.44 178.65 3m9l h SER 196 N 0.38 0.74 0.31 1.25 4.64 -0.79 -3.32 113.55 116.75 3m9l h SER 196 Ca 0.34 -0.24 -0.33 0.00 -0.47 0.00 0.00 61.79 61.09 3m9l h SER 196 Cb 0.47 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3m9l h SER 196 CO -0.36 0.91 -1.85 0.00 -0.87 0.00 0.00 176.83 174.67 3m9l n ALA 197 N -2.49 1.18 -2.29 5.18 0.00 -0.55 -4.78 120.51 116.77 3m9l n ALA 197 Ca 0.01 -0.67 -0.42 0.00 0.00 0.00 0.00 53.44 52.35 3m9l n ALA 197 Cb 0.40 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 3m9l n ALA 197 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3m9l s GLU 198 N -2.58 4.25 -0.34 0.00 2.12 -0.10 -1.92 118.70 120.12 3m9l s GLU 198 Ca -0.13 1.85 0.00 0.00 0.36 0.00 0.00 54.97 57.05 3m9l s GLU 198 Cb 0.07 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.73 3m9l s GLU 198 CO 0.80 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.26 3m9l n GLY 199 N 3.69 0.63 2.56 -1.50 0.00 -1.26 -4.64 105.19 104.68 3m9l n GLY 199 Ca 0.14 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 3m9l n GLY 199 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3m9l n HIS 200 N -2.90 1.97 -0.11 1.61 8.25 -0.81 -5.14 115.22 118.09 3m9l n HIS 200 Ca -0.03 -3.16 0.00 0.00 -0.26 0.00 0.00 57.72 54.27 3m9l n HIS 200 Cb 0.11 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3m9l n HIS 200 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70