#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yql n GLU 10 N 0.00 0.07 -4.46 -1.46 0.00 -1.26 -4.84 120.64 108.68 1yql n GLU 10 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 57.16 57.13 1yql n GLU 10 Cb 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 31.44 29.74 1yql n GLU 10 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1yql s PHE 11 N -3.07 2.45 0.00 -1.84 0.40 -1.26 -5.07 117.98 109.59 1yql s PHE 11 Ca 0.08 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1yql s PHE 11 Cb 0.12 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.26 1yql s PHE 11 CO 0.38 0.56 0.00 0.41 0.70 0.00 0.00 175.22 177.27 1yql n GLY 12 N -0.84 -2.22 3.75 4.36 0.00 -1.26 -4.82 105.19 104.15 1yql n GLY 12 Ca -0.05 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.07 1yql n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yql s HIS 13 N -0.60 3.73 0.99 1.61 3.76 -1.26 -4.75 115.29 118.77 1yql s HIS 13 Ca 0.00 1.75 -0.16 0.00 -0.15 0.00 0.00 55.06 56.50 1yql s HIS 13 Cb 0.00 -3.17 0.20 0.00 1.11 0.00 0.00 32.58 30.72 1yql s HIS 13 CO 0.00 -0.18 1.23 1.03 -0.85 0.00 0.00 174.74 175.96 1yql s ARG 14 N -0.95 0.43 0.09 1.40 0.52 -1.26 -5.05 118.95 114.13 1yql s ARG 14 Ca 0.45 -0.15 -0.16 0.00 -0.52 0.00 0.00 55.73 55.35 1yql s ARG 14 Cb -0.29 -1.80 0.03 0.00 0.52 0.00 0.00 34.95 33.42 1yql s ARG 14 CO 0.36 -2.60 0.39 0.95 0.02 0.00 0.00 175.30 174.42 1yql s THR 15 N -3.54 0.07 0.25 0.02 -4.23 -1.26 -4.96 115.64 101.99 1yql s THR 15 Ca 0.70 -0.58 -0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1yql s THR 15 Cb -0.08 -1.09 0.23 0.00 1.34 0.00 0.00 72.50 72.90 1yql s THR 15 CO 0.53 -0.32 1.85 0.25 -0.54 0.00 0.00 174.62 176.40 1yql h LEU 16 N 2.66 0.86 0.49 4.79 5.85 -1.98 -2.73 115.31 125.25 1yql h LEU 16 Ca -0.33 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1yql h LEU 16 Cb 1.23 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1yql h LEU 16 CO 0.46 0.54 -0.24 0.00 -0.34 0.00 0.00 178.44 178.86 1yql h ALA 17 N 1.43 -0.82 -0.46 1.25 0.00 -1.97 -3.24 119.26 115.45 1yql h ALA 17 Ca 0.40 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1yql h ALA 17 Cb 0.22 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1yql h ALA 17 CO -0.19 -0.77 -0.27 0.45 0.00 0.00 0.00 179.25 178.47 1yql n SER 18 N -4.52 -0.49 -3.21 0.00 2.88 -1.14 -3.49 113.62 103.64 1yql n SER 18 Ca -0.08 1.30 -0.29 0.00 -1.33 0.00 0.00 58.87 58.47 1yql n SER 18 Cb 0.26 -0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 63.33 1yql n SER 18 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1yql n THR 19 N -4.04 3.17 -0.23 2.46 -2.24 -1.04 -4.45 114.28 107.91 1yql n THR 19 Ca 0.01 -5.51 -0.01 0.00 -2.27 0.00 0.00 64.05 56.27 1yql n THR 19 Cb 0.12 -1.69 0.02 0.00 -2.10 0.00 0.00 70.33 66.68 1yql n THR 19 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1yql n PRO 20 N 0.23 -0.14 0.00 -0.78 -0.02 -1.22 -0.66 135.00 132.41 1yql n PRO 20 Ca 0.32 0.91 0.12 0.00 -2.02 0.00 0.00 63.50 62.82 1yql n PRO 20 Cb 0.38 -1.35 0.68 0.00 -0.02 0.00 0.00 33.50 33.19 1yql n PRO 20 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yql n ALA 21 N -3.68 2.34 0.85 3.55 0.00 -1.26 -3.30 120.51 119.01 1yql n ALA 21 Ca 0.06 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1yql n ALA 21 Cb 0.23 -1.38 0.26 0.00 0.00 0.00 0.00 19.45 18.56 1yql n ALA 21 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yql n LEU 22 N -1.04 2.71 -4.68 0.00 4.77 0.17 -4.09 117.00 114.83 1yql n LEU 22 Ca 0.17 -1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 54.86 1yql n LEU 22 Cb 0.10 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 1yql n LEU 22 CO 0.14 0.53 -0.29 0.26 -1.33 0.00 0.00 177.39 176.70 1yql s TRP 23 N -1.76 2.77 -0.05 -1.77 0.52 -1.21 -4.15 118.94 113.29 1yql s TRP 23 Ca 0.34 -0.22 -0.06 0.00 0.02 0.00 0.00 56.10 56.19 1yql s TRP 23 Cb 0.21 -1.27 0.01 0.00 -1.15 0.00 0.00 33.47 31.27 1yql s TRP 23 CO 0.30 0.58 0.15 0.00 0.02 0.00 0.00 176.95 178.01 1yql s ALA 24 N -2.30 -0.37 0.33 0.98 0.00 -0.64 -4.81 121.76 114.94 1yql s ALA 24 Ca 0.32 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1yql s ALA 24 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1yql s ALA 24 CO 0.21 -0.10 0.51 -1.12 0.00 0.00 0.00 175.76 175.26 1yql s SER 25 N -0.20 6.30 -0.14 0.00 0.01 -1.26 -1.11 113.70 117.30 1yql s SER 25 Ca -0.03 0.37 -0.01 0.00 1.31 0.00 0.00 55.95 57.59 1yql s SER 25 Cb -0.02 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.25 1yql s SER 25 CO 0.00 -0.25 -0.02 -0.63 0.41 0.00 0.00 173.24 172.76 1yql s ILE 26 N -2.25 0.74 0.05 1.44 1.01 -0.57 -4.96 121.20 116.67 1yql s ILE 26 Ca 0.39 -0.36 -0.35 0.00 0.00 0.00 0.00 60.65 60.33 1yql s ILE 26 Cb -0.09 -0.98 -0.14 0.00 0.01 0.00 0.00 42.46 41.26 1yql s ILE 26 CO 0.35 0.10 1.65 -2.65 0.00 0.00 0.00 174.94 174.39 1yql n PRO 27 N 5.00 1.98 -3.15 2.79 -0.02 -1.26 -1.25 135.00 139.10 1yql n PRO 27 Ca -0.10 0.72 0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1yql n PRO 27 Cb 0.48 -2.49 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1yql n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yql s PRO 29 N 2.94 3.88 0.60 0.00 0.04 -1.23 -3.26 135.00 137.97 1yql s PRO 29 Ca 0.07 1.45 0.29 0.00 0.04 0.00 0.00 61.00 62.84 1yql s PRO 29 Cb -0.09 -2.24 1.48 0.00 0.04 0.00 0.00 34.50 33.69 1yql s PRO 29 CO -0.15 -0.38 1.89 0.00 0.04 0.00 0.00 177.00 178.41 1yql h ARG 30 N 1.85 0.00 0.00 4.56 3.08 -1.69 0.22 114.38 122.39 1yql h ARG 30 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1yql h ARG 30 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1yql h ARG 30 CO 0.60 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.16 1yql h SER 31 N 0.00 0.00 0.01 7.04 4.64 -1.90 -2.80 113.55 120.54 1yql h SER 31 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1yql h SER 31 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1yql h SER 31 CO -0.00 0.00 -1.05 -0.62 -0.87 0.00 0.00 176.83 174.29 1yql n GLU 32 N -2.77 0.04 -3.64 4.77 -0.58 0.75 -3.28 120.64 115.93 1yql n GLU 32 Ca 0.01 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1yql n GLU 32 Cb 0.26 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.56 1yql n GLU 32 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1yql s LEU 33 N -3.08 -0.36 -0.28 -4.62 2.96 -1.05 -4.77 118.68 107.48 1yql s LEU 33 Ca 0.07 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1yql s LEU 33 Cb 0.16 1.62 0.09 0.00 0.50 0.00 0.00 46.19 48.56 1yql s LEU 33 CO 0.87 -0.11 0.10 -0.13 -1.32 0.00 0.00 176.35 175.76 1yql s ARG 34 N 0.65 0.46 0.21 1.98 0.52 0.20 -4.40 118.95 118.57 1yql s ARG 34 Ca -0.01 -0.70 -0.15 0.00 -0.52 0.00 0.00 55.73 54.35 1yql s ARG 34 Cb -0.04 -1.68 0.22 0.00 0.52 0.00 0.00 34.95 33.97 1yql s ARG 34 CO -0.11 -0.92 1.61 -0.07 0.02 0.00 0.00 175.30 175.83 1yql h LEU 35 N 8.26 -0.72 -1.36 2.53 3.38 -1.96 0.12 115.31 125.56 1yql h LEU 35 Ca -0.17 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yql h LEU 35 Cb 1.04 0.44 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1yql h LEU 35 CO 0.43 -0.24 0.00 -0.90 0.09 0.00 0.00 178.44 177.82 1yql n ASP 36 N -5.44 0.58 -0.20 -0.43 5.75 -1.26 -0.87 116.55 114.68 1yql n ASP 36 Ca 0.07 0.75 0.07 0.00 -0.01 0.00 0.00 54.79 55.67 1yql n ASP 36 Cb 0.34 -0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 39.57 1yql n ASP 36 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1yql n LEU 37 N -2.27 1.16 -0.02 -2.12 4.32 0.33 -4.62 117.00 113.79 1yql n LEU 37 Ca -0.01 -0.67 -0.06 0.00 -0.02 0.00 0.00 56.01 55.26 1yql n LEU 37 Cb 0.06 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 1yql n LEU 37 CO 0.11 0.24 -0.51 0.52 -1.22 0.00 0.00 177.39 176.53 1yql n VAL 38 N -0.59 0.84 -0.00 4.08 0.31 -0.63 -4.59 118.33 117.73 1yql n VAL 38 Ca 0.05 0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.54 1yql n VAL 38 Cb 0.26 -1.70 0.47 0.00 -0.91 0.00 0.00 33.84 31.96 1yql n VAL 38 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1yql h LEU 39 N -0.28 0.39 -3.20 7.52 3.38 -1.26 -2.62 115.31 119.24 1yql h LEU 39 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1yql h LEU 39 Cb 0.77 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1yql h LEU 39 CO -0.07 0.27 0.00 -0.81 0.09 0.00 0.00 178.44 177.92 1yql n PRO 40 N -4.48 3.33 -0.31 1.13 -0.04 -1.26 -4.60 135.00 128.77 1yql n PRO 40 Ca 0.05 -2.73 0.07 0.00 -0.04 0.00 0.00 63.50 60.84 1yql n PRO 40 Cb 0.17 -1.79 0.21 0.00 -0.04 0.00 0.00 33.50 32.05 1yql n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yql n SER 41 N 0.16 2.79 0.00 3.54 7.64 -0.99 -4.93 113.62 121.83 1yql n SER 41 Ca 0.21 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.95 1yql n SER 41 Cb 0.83 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1yql n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yql n GLY 42 N 1.01 0.76 0.02 0.23 0.00 -1.26 -4.87 105.19 101.08 1yql n GLY 42 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1yql n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yql n GLN 43 N -2.45 0.15 -4.40 1.61 6.02 -1.26 -4.92 117.38 112.14 1yql n GLN 43 Ca 0.00 0.31 -0.34 0.00 -0.01 0.00 0.00 57.00 56.96 1yql n GLN 43 Cb 0.00 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.13 1yql n GLN 43 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1yql s SER 44 N -4.29 5.10 -0.10 1.08 0.15 -1.26 -5.00 113.70 109.37 1yql s SER 44 Ca -0.05 0.08 0.15 0.00 0.70 0.00 0.00 55.95 56.82 1yql s SER 44 Cb 0.01 -1.39 0.50 0.00 -1.71 0.00 0.00 66.02 63.43 1yql s SER 44 CO 0.08 0.35 1.41 0.49 1.20 0.00 0.00 173.24 176.78 1yql n PHE 45 N 1.98 0.91 -0.88 3.44 3.01 -1.26 -4.61 117.46 120.05 1yql n PHE 45 Ca -0.18 -0.69 0.08 0.00 1.01 0.00 0.00 57.45 57.68 1yql n PHE 45 Cb 0.53 -0.20 0.27 0.00 -0.01 0.00 0.00 39.48 40.07 1yql n PHE 45 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1yql n ARG 46 N 0.21 3.15 -4.87 -1.08 5.12 -1.26 -4.79 116.66 113.15 1yql n ARG 46 Ca 0.19 -2.79 -0.33 0.00 -1.93 0.00 0.00 57.85 52.99 1yql n ARG 46 Cb 0.73 -1.83 -0.13 0.00 -1.16 0.00 0.00 32.46 30.08 1yql n ARG 46 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1yql s TRP 47 N -2.58 2.72 0.02 -1.55 0.52 -1.26 -4.26 118.94 112.56 1yql s TRP 47 Ca 0.42 -0.16 0.04 0.00 0.02 0.00 0.00 56.10 56.41 1yql s TRP 47 Cb 0.32 -1.64 -0.02 0.00 -1.15 0.00 0.00 33.47 30.98 1yql s TRP 47 CO 0.11 0.18 -0.12 1.03 0.02 0.00 0.00 176.95 178.18 1yql s ARG 48 N -0.69 0.81 -1.20 4.98 1.81 -0.76 -4.87 118.95 119.03 1yql s ARG 48 Ca 0.11 -0.61 -0.13 0.00 -1.72 0.00 0.00 55.73 53.38 1yql s ARG 48 Cb -0.11 -0.78 0.19 0.00 -0.45 0.00 0.00 34.95 33.81 1yql s ARG 48 CO 0.01 0.20 1.39 -1.91 -0.68 0.00 0.00 175.30 174.30 1yql n GLU 49 N 2.17 3.40 0.26 3.54 2.13 -1.26 -0.38 120.64 130.50 1yql n GLU 49 Ca -0.17 -3.95 -0.16 0.00 0.66 0.00 0.00 57.16 53.54 1yql n GLU 49 Cb 0.55 -2.96 -0.09 0.00 0.27 0.00 0.00 31.44 29.22 1yql n GLU 49 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1yql h GLN 50 N 7.03 -0.85 -6.24 5.31 1.08 -1.85 -3.42 115.11 116.17 1yql h GLN 50 Ca 0.30 0.06 -0.57 0.00 -1.45 0.00 0.00 58.65 56.98 1yql h GLN 50 Cb 0.87 0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 28.41 1yql h GLN 50 CO 1.21 -0.57 -0.60 -1.54 -0.95 0.00 0.00 178.83 176.39 1yql s SER 51 N -4.09 5.20 0.21 1.46 1.04 -1.25 -5.03 113.70 111.24 1yql s SER 51 Ca -0.16 -0.27 -0.31 0.00 0.48 0.00 0.00 55.95 55.69 1yql s SER 51 Cb 0.04 -1.25 -0.15 0.00 0.10 0.00 0.00 66.02 64.75 1yql s SER 51 CO 0.52 0.06 1.14 -0.81 0.98 0.00 0.00 173.24 175.13 1yql n PRO 52 N -0.43 1.30 -1.18 4.02 -0.04 -1.26 -1.18 135.00 136.24 1yql n PRO 52 Ca -0.09 0.46 -0.06 0.00 -0.04 0.00 0.00 63.50 63.77 1yql n PRO 52 Cb 0.56 -1.93 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 1yql n PRO 52 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yql n ALA 53 N 1.16 -0.09 -4.05 0.55 0.00 -1.26 -4.95 120.51 111.86 1yql n ALA 53 Ca 0.13 0.10 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1yql n ALA 53 Cb 0.27 -1.63 -0.16 0.00 0.00 0.00 0.00 19.45 17.93 1yql n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yql s HIS 54 N -1.55 2.68 -0.16 0.00 3.76 -0.32 -4.22 115.29 115.48 1yql s HIS 54 Ca 0.00 -1.55 -0.03 0.00 -0.15 0.00 0.00 55.06 53.33 1yql s HIS 54 Cb 0.00 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.81 1yql s HIS 54 CO 0.00 -0.77 -0.06 -1.58 -0.85 0.00 0.00 174.74 171.49 1yql s TRP 55 N 1.26 2.97 -0.07 1.40 0.52 0.15 -2.50 118.94 122.66 1yql s TRP 55 Ca 0.03 -0.46 0.05 0.00 0.02 0.00 0.00 56.10 55.75 1yql s TRP 55 Cb -0.13 -1.95 -0.01 0.00 -1.15 0.00 0.00 33.47 30.22 1yql s TRP 55 CO -0.11 -0.14 -0.22 -1.12 0.02 0.00 0.00 176.95 175.37 1yql s SER 56 N 0.51 3.31 0.15 2.95 0.01 0.49 0.50 113.70 121.62 1yql s SER 56 Ca -0.05 -0.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.57 1yql s SER 56 Cb -0.15 -0.99 0.07 0.00 0.21 0.00 0.00 66.02 65.16 1yql s SER 56 CO 0.03 0.24 0.92 0.61 0.41 0.00 0.00 173.24 175.45 1yql n GLY 57 N 2.99 0.66 3.75 3.44 0.00 -0.58 -1.83 105.19 113.62 1yql n GLY 57 Ca -0.18 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1yql n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yql s VAL 58 N -2.12 5.20 -0.06 1.61 1.01 -1.26 -0.95 120.40 123.82 1yql s VAL 58 Ca 0.20 0.80 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1yql s VAL 58 Cb -0.02 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1yql s VAL 58 CO 0.05 0.39 0.12 -0.22 0.00 0.00 0.00 175.10 175.44 1yql s LEU 59 N 0.26 0.35 -1.24 3.92 0.20 0.86 -4.88 118.68 118.14 1yql s LEU 59 Ca 0.23 0.25 -0.12 0.00 0.69 0.00 0.00 54.13 55.18 1yql s LEU 59 Cb -0.15 0.20 -0.01 0.00 -0.43 0.00 0.00 46.19 45.80 1yql s LEU 59 CO 0.09 -0.20 0.67 0.00 -0.29 0.00 0.00 176.35 176.62 1yql n ALA 60 N 4.83 -2.31 -1.23 5.97 0.00 -1.26 -2.06 120.51 124.45 1yql n ALA 60 Ca -0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 53.44 52.97 1yql n ALA 60 Cb 0.50 -3.05 -0.04 0.00 0.00 0.00 0.00 19.45 16.87 1yql n ALA 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yql n ASP 61 N -2.83 -5.33 -4.22 0.00 8.00 -1.26 -4.95 116.55 105.96 1yql n ASP 61 Ca -0.19 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 1yql n ASP 61 Cb 0.63 -3.88 -0.10 0.00 -0.02 0.00 0.00 41.12 37.75 1yql n ASP 61 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1yql s GLN 62 N -2.71 1.05 -0.15 -1.24 -0.21 -0.87 -5.05 119.66 110.48 1yql s GLN 62 Ca 0.00 -1.49 -0.13 0.00 0.02 0.00 0.00 55.36 53.75 1yql s GLN 62 Cb 0.00 -0.24 -0.05 0.00 1.00 0.00 0.00 33.01 33.72 1yql s GLN 62 CO 0.00 -0.11 0.29 0.08 -2.12 0.00 0.00 175.29 173.43 1yql s VAL 63 N -3.66 5.30 0.22 1.09 1.01 -1.24 -0.10 120.40 123.02 1yql s VAL 63 Ca 0.22 0.54 0.06 0.00 0.00 0.00 0.00 61.98 62.79 1yql s VAL 63 Cb 0.06 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1yql s VAL 63 CO 0.02 0.41 -0.08 0.26 0.00 0.00 0.00 175.10 175.71 1yql s TRP 64 N 0.35 1.65 -0.02 5.22 0.52 -0.13 -0.37 118.94 126.16 1yql s TRP 64 Ca 0.16 -0.73 0.03 0.00 0.02 0.00 0.00 56.10 55.58 1yql s TRP 64 Cb -0.13 -0.88 -0.00 0.00 -1.15 0.00 0.00 33.47 31.31 1yql s TRP 64 CO 0.04 0.19 -0.10 0.99 0.02 0.00 0.00 176.95 178.09 1yql s THR 65 N -3.16 0.81 0.03 2.01 2.01 -0.42 -1.53 115.64 115.39 1yql s THR 65 Ca 0.25 -0.40 0.04 0.00 0.31 0.00 0.00 61.69 61.88 1yql s THR 65 Cb 0.03 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 1yql s THR 65 CO 0.07 0.24 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.38 1yql s LEU 66 N 0.02 2.15 -0.23 4.42 1.43 0.18 -2.02 118.68 124.63 1yql s LEU 66 Ca -0.00 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 1yql s LEU 66 Cb -0.07 -0.47 0.06 0.00 0.03 0.00 0.00 46.19 45.74 1yql s LEU 66 CO 0.00 0.00 0.63 0.28 0.23 0.00 0.00 176.35 177.50 1yql s THR 67 N -0.78 0.00 0.16 5.49 -1.32 -0.85 0.29 115.64 118.64 1yql s THR 67 Ca -0.00 -0.01 0.11 0.00 -1.21 0.00 0.00 61.69 60.58 1yql s THR 67 Cb -0.07 -0.88 -0.04 0.00 -1.51 0.00 0.00 72.50 70.00 1yql s THR 67 CO 0.01 -0.00 -0.24 0.00 -2.21 0.00 0.00 174.62 172.17 1yql s GLN 68 N 0.25 1.52 0.26 7.08 -2.07 -1.26 -0.32 119.66 125.11 1yql s GLN 68 Ca -0.01 -1.42 0.02 0.00 -1.82 0.00 0.00 55.36 52.14 1yql s GLN 68 Cb -0.04 -1.90 0.02 0.00 -1.09 0.00 0.00 33.01 30.00 1yql s GLN 68 CO 0.01 0.43 0.20 0.25 -1.32 0.00 0.00 175.29 174.86 1yql n THR 69 N 0.55 0.00 0.12 3.63 -2.24 -0.16 -4.97 114.28 111.22 1yql n THR 69 Ca -0.15 -1.02 0.06 0.00 -2.27 0.00 0.00 64.05 60.67 1yql n THR 69 Cb 0.54 -0.30 0.51 0.00 -2.10 0.00 0.00 70.33 68.98 1yql n THR 69 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yql h GLU 70 N 0.00 0.28 0.00 -0.78 4.57 -2.00 -3.28 114.58 113.36 1yql h GLU 70 Ca -0.16 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1yql h GLU 70 Cb 0.60 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1yql h GLU 70 CO 0.25 0.21 0.00 0.39 -1.18 0.00 0.00 179.01 178.68 1yql n GLU 71 N -4.48 6.05 -4.40 1.92 -0.58 -1.26 -2.51 120.64 115.38 1yql n GLU 71 Ca 0.00 -0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 1yql n GLU 71 Cb 0.09 -0.44 -0.12 0.00 -0.57 0.00 0.00 31.44 30.40 1yql n GLU 71 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1yql s GLN 72 N -0.87 1.43 -0.35 3.49 -1.52 -1.20 0.06 119.66 120.71 1yql s GLN 72 Ca 0.00 -1.43 -0.06 0.00 -1.95 0.00 0.00 55.36 51.92 1yql s GLN 72 Cb 0.00 -1.80 0.05 0.00 -0.22 0.00 0.00 33.01 31.04 1yql s GLN 72 CO 0.00 0.41 0.11 -1.17 -0.25 0.00 0.00 175.29 174.39 1yql s LEU 73 N -2.39 4.42 -0.11 2.90 2.96 -0.38 -0.99 118.68 125.09 1yql s LEU 73 Ca 0.17 -1.29 -0.22 0.00 -0.22 0.00 0.00 54.13 52.57 1yql s LEU 73 Cb -0.09 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1yql s LEU 73 CO 0.08 -0.36 0.66 -1.00 -1.32 0.00 0.00 176.35 174.41 1yql s HIS 74 N 1.35 3.52 0.07 5.38 3.76 0.56 -1.51 115.29 128.42 1yql s HIS 74 Ca -0.01 1.13 0.08 0.00 -0.15 0.00 0.00 55.06 56.11 1yql s HIS 74 Cb -0.20 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.68 1yql s HIS 74 CO 0.01 0.02 -0.23 0.00 -0.85 0.00 0.00 174.74 173.70 1yql s THR 76 N -0.92 0.01 0.02 0.00 -1.32 -0.86 -1.63 115.64 110.95 1yql s THR 76 Ca 0.09 -0.07 0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1yql s THR 76 Cb -0.09 -0.16 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1yql s THR 76 CO 0.03 -0.04 -0.18 0.54 -2.21 0.00 0.00 174.62 172.76 1yql s VAL 77 N -0.07 1.44 -0.28 5.08 0.11 -1.26 -1.30 120.40 124.12 1yql s VAL 77 Ca -0.01 -1.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1yql s VAL 77 Cb -0.01 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 1yql s VAL 77 CO 0.00 0.22 0.02 -0.31 -3.33 0.00 0.00 175.10 171.70 1yql s TYR 78 N -0.68 3.13 0.00 1.54 1.51 0.50 -4.84 117.35 118.51 1yql s TYR 78 Ca 0.06 -1.30 0.00 0.00 -1.01 0.00 0.00 57.07 54.82 1yql s TYR 78 Cb -0.08 -2.16 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1yql s TYR 78 CO 0.01 -0.66 0.00 0.54 -1.11 0.00 0.00 175.55 174.33 1yql n ARG 79 N 4.76 0.00 -0.74 -0.62 1.74 -1.26 -3.66 116.66 116.88 1yql n ARG 79 Ca -0.15 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 56.98 1yql n ARG 79 Cb 0.47 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.88 1yql n ARG 79 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1yql n SER 83 N 0.00 -4.02 -4.77 0.55 3.41 -1.26 -5.00 113.62 102.54 1yql n SER 83 Ca 0.00 0.81 -0.39 0.00 -0.26 0.00 0.00 58.87 59.02 1yql n SER 83 Cb 0.00 -2.33 0.01 0.00 -0.26 0.00 0.00 64.21 61.63 1yql n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yql s GLN 84 N -4.03 3.76 0.56 4.33 1.03 -1.26 -4.96 119.66 119.09 1yql s GLN 84 Ca 0.00 2.27 -0.21 0.00 0.04 0.00 0.00 55.36 57.46 1yql s GLN 84 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 33.01 30.34 1yql s GLN 84 CO 0.00 -0.70 1.29 0.00 -2.54 0.00 0.00 175.29 173.33 1yql s ALA 85 N -1.25 2.72 -0.11 2.60 0.00 -1.26 -5.01 121.76 119.45 1yql s ALA 85 Ca 0.60 1.19 -0.32 0.00 0.00 0.00 0.00 51.96 53.43 1yql s ALA 85 Cb -0.40 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.33 1yql s ALA 85 CO 0.52 -1.25 1.06 -1.54 0.00 0.00 0.00 175.76 174.55 1yql s SER 86 N -1.22 -0.24 0.91 0.00 1.04 -1.26 -5.09 113.70 107.84 1yql s SER 86 Ca 0.73 0.00 -0.12 0.00 0.48 0.00 0.00 55.95 57.05 1yql s SER 86 Cb -0.36 0.25 0.09 0.00 0.10 0.00 0.00 66.02 66.10 1yql s SER 86 CO 0.41 -0.41 0.83 -2.11 0.98 0.00 0.00 173.24 172.94 1yql n ARG 87 N -0.15 -0.30 -2.33 4.02 -4.01 -1.26 -4.75 116.66 107.89 1yql n ARG 87 Ca -0.04 -0.03 -0.37 0.00 -1.04 0.00 0.00 57.85 56.37 1yql n ARG 87 Cb 0.60 -2.15 -0.02 0.00 -3.04 0.00 0.00 32.46 27.85 1yql n ARG 87 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 1yql s PRO 88 N -4.10 3.89 0.72 2.89 0.02 -1.26 -4.98 135.00 132.17 1yql s PRO 88 Ca 0.63 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 63.27 1yql s PRO 88 Cb -0.23 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 31.83 1yql s PRO 88 CO 0.61 -0.43 1.09 0.95 -0.33 0.00 0.00 177.00 178.89 1yql s THR 89 N -1.55 3.57 0.28 0.99 -4.23 -1.26 -4.84 115.64 108.59 1yql s THR 89 Ca 0.61 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.62 1yql s THR 89 Cb -0.27 -3.44 0.28 0.00 1.34 0.00 0.00 72.50 70.41 1yql s THR 89 CO 0.34 -0.67 1.89 -0.65 -0.54 0.00 0.00 174.62 174.99 1yql h PRO 90 N -0.71 1.09 -0.50 3.99 0.11 -1.98 -0.72 132.00 133.27 1yql h PRO 90 Ca -0.45 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1yql h PRO 90 Cb 1.25 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1yql h PRO 90 CO 0.62 0.72 0.06 -0.44 -0.21 0.00 0.00 178.00 178.75 1yql h ASP 91 N 1.12 0.82 -0.25 -2.05 3.45 -1.99 0.56 116.42 118.08 1yql h ASP 91 Ca 0.43 -0.28 -0.00 0.00 0.43 0.00 0.00 57.03 57.61 1yql h ASP 91 Cb 0.21 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1yql h ASP 91 CO -0.17 0.89 0.15 -0.33 -1.57 0.00 0.00 179.24 178.20 1yql h GLU 92 N 0.72 0.34 -0.35 3.56 5.08 -1.78 -1.76 114.58 120.38 1yql h GLU 92 Ca 0.15 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1yql h GLU 92 Cb 0.43 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1yql h GLU 92 CO 0.01 0.27 0.15 -0.07 -1.00 0.00 0.00 179.01 178.37 1yql h LEU 93 N 0.31 0.44 -0.75 1.33 3.38 -0.97 -1.62 115.31 117.43 1yql h LEU 93 Ca 0.09 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1yql h LEU 93 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1yql h LEU 93 CO -0.02 0.40 0.43 -0.08 0.09 0.00 0.00 178.44 179.27 1yql h GLU 94 N 0.49 1.02 -0.56 1.13 4.57 -0.07 0.24 114.58 121.41 1yql h GLU 94 Ca 0.12 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1yql h GLU 94 Cb 0.09 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1yql h GLU 94 CO -0.01 0.74 0.33 0.00 -1.18 0.00 0.00 179.01 178.88 1yql h ALA 95 N 1.23 1.52 -0.12 2.92 0.00 -0.49 0.40 119.26 124.71 1yql h ALA 95 Ca 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yql h ALA 95 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1yql h ALA 95 CO -0.05 0.41 -0.03 0.28 0.00 0.00 0.00 179.25 179.86 1yql h VAL 96 N 0.77 1.29 -0.73 0.00 2.07 -0.84 -0.48 116.25 118.34 1yql h VAL 96 Ca 0.20 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.82 1yql h VAL 96 Cb -0.01 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1yql h VAL 96 CO -0.04 0.28 0.48 0.03 0.02 0.00 0.00 177.57 178.34 1yql h ARG 97 N -0.08 0.69 -0.27 1.57 3.08 -0.35 -1.79 114.38 117.22 1yql h ARG 97 Ca 0.03 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1yql h ARG 97 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1yql h ARG 97 CO 0.01 0.46 -0.06 0.87 -1.07 0.00 0.00 179.97 180.18 1yql h LYS 98 N 0.71 0.52 -0.46 0.04 1.79 -0.63 -1.78 116.57 116.77 1yql h LYS 98 Ca 0.32 -0.20 0.03 0.00 -2.18 0.00 0.00 60.65 58.63 1yql h LYS 98 Cb 0.33 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1yql h LYS 98 CO -0.11 0.73 0.31 -0.92 -1.08 0.00 0.00 179.45 178.38 1yql h TYR 99 N 0.28 0.48 -0.31 -1.35 3.20 -0.24 -1.22 116.97 117.82 1yql h TYR 99 Ca 0.07 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1yql h TYR 99 Cb 0.54 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1yql h TYR 99 CO 0.05 0.28 0.00 1.19 -1.64 0.00 0.00 178.16 178.04 1yql n PHE 100 N -4.48 0.39 -4.19 -3.82 3.01 -0.95 -0.97 117.46 106.45 1yql n PHE 100 Ca 0.05 -0.20 -0.32 0.00 1.01 0.00 0.00 57.45 58.00 1yql n PHE 100 Cb 0.16 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 1yql n PHE 100 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1yql n GLN 101 N 1.23 -2.33 0.15 -1.08 6.02 -0.46 -4.78 117.38 116.14 1yql n GLN 101 Ca 0.18 0.28 0.09 0.00 -0.01 0.00 0.00 57.00 57.54 1yql n GLN 101 Cb 0.55 -4.45 0.48 0.00 1.02 0.00 0.00 30.24 27.84 1yql n GLN 101 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1yql n LEU 102 N -4.41 0.45 0.15 1.08 4.77 -0.89 -0.64 117.00 117.52 1yql n LEU 102 Ca -0.16 0.67 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 1yql n LEU 102 Cb 0.61 -0.70 0.48 0.00 -2.33 0.00 0.00 43.42 41.48 1yql n LEU 102 CO 0.83 -0.83 0.88 0.44 -1.33 0.00 0.00 177.39 177.38 1yql h ASP 103 N 0.00 0.00 -3.45 -1.43 3.45 -1.86 -3.40 116.42 109.73 1yql h ASP 103 Ca 0.00 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.85 1yql h ASP 103 Cb 0.22 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.88 1yql h ASP 103 CO 0.00 0.00 0.28 -0.69 -1.57 0.00 0.00 179.24 177.26 1yql s VAL 104 N -3.30 4.89 -0.54 -1.35 1.01 0.19 -5.00 120.40 116.30 1yql s VAL 104 Ca 0.06 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.90 1yql s VAL 104 Cb 0.10 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1yql s VAL 104 CO 0.49 -0.11 1.21 -0.89 0.00 0.00 0.00 175.10 175.79 1yql s THR 105 N 2.72 4.05 0.46 3.92 2.01 -1.26 -4.91 115.64 122.63 1yql s THR 105 Ca 0.29 0.98 0.12 0.00 0.31 0.00 0.00 61.69 63.39 1yql s THR 105 Cb -0.15 -4.65 0.25 0.00 0.01 0.00 0.00 72.50 67.97 1yql s THR 105 CO 0.10 -1.21 2.08 0.25 -0.69 0.00 0.00 174.62 175.16 1yql h LEU 106 N 11.83 0.20 -0.78 4.42 5.85 -1.90 -2.00 115.31 132.94 1yql h LEU 106 Ca -0.25 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1yql h LEU 106 Cb 1.06 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1yql h LEU 106 CO 1.17 0.18 0.27 0.00 -0.34 0.00 0.00 178.44 179.72 1yql h ALA 107 N 1.86 1.02 -0.42 1.25 0.00 -1.91 0.08 119.26 121.13 1yql h ALA 107 Ca 0.06 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1yql h ALA 107 Cb 0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yql h ALA 107 CO -0.01 0.67 -0.10 1.96 0.00 0.00 0.00 179.25 181.77 1yql h GLN 108 N 1.14 0.81 -0.24 0.00 1.08 -1.79 -1.66 115.11 114.45 1yql h GLN 108 Ca 0.25 -0.31 -0.05 0.00 -1.45 0.00 0.00 58.65 57.09 1yql h GLN 108 Cb 0.27 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1yql h GLN 108 CO -0.01 0.93 -0.06 -0.07 -0.95 0.00 0.00 178.83 178.67 1yql h LEU 109 N 0.64 0.47 -0.96 1.46 3.38 -1.27 -2.29 115.31 116.74 1yql h LEU 109 Ca 0.11 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1yql h LEU 109 Cb 0.63 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1yql h LEU 109 CO 0.04 0.72 0.52 1.88 0.09 0.00 0.00 178.44 181.70 1yql h TYR 110 N 0.21 1.22 0.39 1.13 -1.99 -0.98 -0.40 116.97 116.55 1yql h TYR 110 Ca 0.06 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1yql h TYR 110 Cb 0.52 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 38.85 1yql h TYR 110 CO 0.05 0.83 -0.25 1.25 -0.00 0.00 0.00 178.16 180.04 1yql h HIS 111 N 1.26 -0.65 0.33 4.88 -0.00 -1.18 0.17 115.15 119.96 1yql h HIS 111 Ca 0.32 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.68 1yql h HIS 111 Cb -0.01 0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1yql h HIS 111 CO 0.01 -0.38 -0.25 1.25 -0.00 0.00 0.00 177.93 178.56 1yql h HIS 112 N -0.61 -0.65 -0.58 5.26 -0.00 -1.16 -0.82 115.15 116.58 1yql h HIS 112 Ca -0.04 -0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.42 1yql h HIS 112 Cb 0.51 0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 28.09 1yql h HIS 112 CO -0.10 -0.37 0.18 -1.49 -0.00 0.00 0.00 177.93 176.15 1yql h TRP 113 N -0.57 0.31 -0.83 5.26 6.55 -1.02 -1.55 115.95 124.10 1yql h TRP 113 Ca -0.03 0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.91 1yql h TRP 113 Cb 0.50 -0.05 -0.06 0.00 -0.86 0.00 0.00 29.16 28.69 1yql h TRP 113 CO -0.13 0.05 0.51 0.78 -1.05 0.00 0.00 178.44 178.60 1yql h GLY 114 N 0.34 1.24 2.00 1.49 0.00 -0.19 0.57 103.07 108.53 1yql h GLY 114 Ca 0.30 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1yql h GLY 114 CO -0.33 0.25 0.00 1.48 0.00 0.00 0.00 176.54 177.95 1yql h SER 115 N 0.93 0.00 0.00 0.19 4.64 -0.18 -3.15 113.55 115.99 1yql h SER 115 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1yql h SER 115 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1yql h SER 115 CO -0.17 0.00 -1.80 0.52 -0.87 0.00 0.00 176.83 174.51 1yql n VAL 116 N -2.82 0.00 -3.62 0.95 0.31 -0.80 -4.84 118.33 107.50 1yql n VAL 116 Ca 0.02 -0.41 -0.29 0.00 -0.01 0.00 0.00 64.34 63.65 1yql n VAL 116 Cb 0.34 0.15 -0.15 0.00 -0.91 0.00 0.00 33.84 33.27 1yql n VAL 116 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yql s ASP 117 N -4.13 3.66 0.43 4.52 -1.08 0.13 -4.99 116.67 115.20 1yql s ASP 117 Ca -0.06 -1.38 0.17 0.00 -0.52 0.00 0.00 52.55 50.76 1yql s ASP 117 Cb 0.13 -0.55 1.08 0.00 -1.46 0.00 0.00 42.92 42.11 1yql s ASP 117 CO 0.82 -0.42 1.90 -1.28 0.52 0.00 0.00 175.17 176.72 1yql h SER 118 N 8.28 0.38 -0.05 -0.34 0.87 -1.85 -0.15 113.55 120.68 1yql h SER 118 Ca -0.17 0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.22 1yql h SER 118 Cb 1.02 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1yql h SER 118 CO 0.44 0.18 -0.69 -0.74 -0.53 0.00 0.00 176.83 175.50 1yql h HIS 119 N 0.40 0.90 -0.78 2.24 -0.00 -1.94 -2.87 115.15 113.10 1yql h HIS 119 Ca 0.39 -0.37 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1yql h HIS 119 Cb 0.95 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.18 1yql h HIS 119 CO -0.00 1.17 0.37 0.35 -0.00 0.00 0.00 177.93 179.82 1yql h PHE 120 N 0.49 1.12 -0.31 5.26 3.57 -1.39 -2.34 116.94 123.34 1yql h PHE 120 Ca -0.03 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.49 1yql h PHE 120 Cb 1.29 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.61 1yql h PHE 120 CO 0.07 0.82 -0.14 0.37 -2.23 0.00 0.00 178.31 177.19 1yql h GLN 121 N 1.11 -0.09 0.45 1.11 5.75 -1.11 0.36 115.11 122.69 1yql h GLN 121 Ca 0.27 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1yql h GLN 121 Cb 0.12 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1yql h GLN 121 CO -0.03 -0.06 -0.28 0.93 -2.65 0.00 0.00 178.83 176.73 1yql h GLU 122 N -0.10 -0.68 -0.64 1.69 4.39 -1.23 -2.81 114.58 115.21 1yql h GLU 122 Ca 0.16 0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 1yql h GLU 122 Cb 0.33 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1yql h GLU 122 CO -0.37 -0.45 0.16 0.28 -1.16 0.00 0.00 179.01 177.46 1yql h VAL 123 N -0.70 1.25 -0.95 3.13 2.07 -1.25 -3.10 116.25 116.69 1yql h VAL 123 Ca -0.05 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.63 1yql h VAL 123 Cb 0.58 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.88 1yql h VAL 123 CO 0.05 0.34 0.60 0.00 0.02 0.00 0.00 177.57 178.59 1yql h ALA 124 N 1.21 1.31 -1.00 1.67 0.00 -0.18 -2.40 119.26 119.88 1yql h ALA 124 Ca 0.20 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.32 1yql h ALA 124 Cb 0.34 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.75 1yql h ALA 124 CO 0.00 0.38 0.63 -0.56 0.00 0.00 0.00 179.25 179.70 1yql h GLN 125 N 1.10 0.55 -0.00 0.00 -0.00 -1.42 -1.87 115.11 113.47 1yql h GLN 125 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 1yql h GLN 125 Cb 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1yql h GLN 125 CO -0.17 0.36 -0.75 0.36 -0.00 0.00 0.00 178.83 178.63 1yql n LYS 126 N -4.70 0.17 -3.25 0.06 0.00 -0.93 -4.61 118.16 104.89 1yql n LYS 126 Ca 0.24 -0.13 -0.25 0.00 -0.00 0.00 0.00 58.31 58.17 1yql n LYS 126 Cb 0.71 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 34.18 1yql n LYS 126 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1yql n PHE 127 N -1.31 1.88 -2.32 5.58 3.01 -0.70 -5.09 117.46 118.50 1yql n PHE 127 Ca 0.05 -3.89 -0.28 0.00 1.01 0.00 0.00 57.45 54.35 1yql n PHE 127 Cb 0.35 -0.46 0.03 0.00 -0.01 0.00 0.00 39.48 39.38 1yql n PHE 127 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1yql s GLN 128 N -2.13 3.08 -0.11 -1.08 -0.21 -1.24 -4.37 119.66 113.60 1yql s GLN 128 Ca 0.39 0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.93 1yql s GLN 128 Cb 0.19 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.97 1yql s GLN 128 CO -0.07 -0.65 0.00 0.41 -2.12 0.00 0.00 175.29 172.86 1yql n GLY 129 N -2.60 0.49 3.53 3.09 0.00 -1.20 -4.63 105.19 103.86 1yql n GLY 129 Ca 0.04 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 1yql n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yql s VAL 130 N -2.00 5.14 0.42 1.61 1.01 -1.26 -0.63 120.40 124.68 1yql s VAL 130 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1yql s VAL 130 Cb 0.00 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1yql s VAL 130 CO 0.00 -0.20 0.15 0.00 0.00 0.00 0.00 175.10 175.05 1yql s ARG 131 N 2.06 1.97 0.00 2.72 1.70 -1.26 -4.76 118.95 121.39 1yql s ARG 131 Ca 0.12 -2.21 -0.02 0.00 -0.47 0.00 0.00 55.73 53.15 1yql s ARG 131 Cb -0.17 -0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 33.62 1yql s ARG 131 CO 0.12 -0.52 0.16 -0.51 -1.08 0.00 0.00 175.30 173.47 1yql s LEU 132 N -3.62 4.23 0.18 -1.89 2.01 -1.26 -4.96 118.68 113.37 1yql s LEU 132 Ca 0.23 0.28 -0.07 0.00 0.01 0.00 0.00 54.13 54.58 1yql s LEU 132 Cb 0.02 -2.55 -0.06 0.00 0.01 0.00 0.00 46.19 43.60 1yql s LEU 132 CO 0.15 0.25 0.45 -0.76 1.01 0.00 0.00 176.35 177.46 1yql s LEU 133 N -1.95 4.22 -0.56 1.79 1.43 -1.26 -4.55 118.68 117.80 1yql s LEU 133 Ca 0.27 0.73 -0.18 0.00 -1.03 0.00 0.00 54.13 53.92 1yql s LEU 133 Cb -0.12 -3.47 0.11 0.00 0.03 0.00 0.00 46.19 42.73 1yql s LEU 133 CO 0.18 -0.00 0.61 -0.60 0.23 0.00 0.00 176.35 176.77 1yql s ARG 134 N -2.74 3.03 0.36 1.70 6.06 -0.14 -4.66 118.95 122.56 1yql s ARG 134 Ca 0.44 -1.41 0.03 0.00 -2.50 0.00 0.00 55.73 52.29 1yql s ARG 134 Cb -0.12 -4.26 -0.01 0.00 0.06 0.00 0.00 34.95 30.62 1yql s ARG 134 CO 0.23 -1.42 0.53 -0.65 -2.50 0.00 0.00 175.30 171.50 1yql s GLN 135 N 2.27 3.20 0.08 5.12 -0.21 -0.08 -4.75 119.66 125.30 1yql s GLN 135 Ca 0.09 -0.70 -0.31 0.00 0.02 0.00 0.00 55.36 54.46 1yql s GLN 135 Cb -0.26 -2.72 -0.07 0.00 1.00 0.00 0.00 33.01 30.97 1yql s GLN 135 CO 0.06 0.02 1.29 -0.51 -2.12 0.00 0.00 175.29 174.02 1yql s ASP 136 N -4.14 6.96 0.21 5.90 -0.00 -1.26 -4.42 116.67 119.92 1yql s ASP 136 Ca 0.44 2.15 -0.11 0.00 -0.00 0.00 0.00 52.55 55.03 1yql s ASP 136 Cb -0.10 -2.58 0.28 0.00 -0.00 0.00 0.00 42.92 40.53 1yql s ASP 136 CO 0.34 -0.56 1.68 -0.65 -0.00 0.00 0.00 175.17 175.98 1yql h PRO 137 N 6.84 0.15 0.07 8.23 0.11 -1.96 0.88 132.00 146.32 1yql h PRO 137 Ca -0.42 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1yql h PRO 137 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1yql h PRO 137 CO 0.84 0.10 -0.03 0.82 -0.21 0.00 0.00 178.00 179.51 1yql h ILE 138 N 0.15 1.02 -0.78 4.15 1.08 -1.98 0.35 117.51 121.49 1yql h ILE 138 Ca 0.31 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1yql h ILE 138 Cb 0.49 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1yql h ILE 138 CO -0.48 0.07 0.47 -0.08 -0.69 0.00 0.00 178.15 177.44 1yql h GLU 139 N -0.23 1.07 -0.22 2.37 4.81 -1.83 -2.15 114.58 118.39 1yql h GLU 139 Ca -0.01 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 1yql h GLU 139 Cb 0.20 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1yql h GLU 139 CO 0.02 0.76 0.01 0.00 -0.73 0.00 0.00 179.01 179.07 1yql h LEU 141 N 0.16 0.50 0.01 0.00 5.85 -0.11 -1.56 115.31 120.16 1yql h LEU 141 Ca 0.07 0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.57 1yql h LEU 141 Cb 0.37 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1yql h LEU 141 CO 0.01 0.34 -1.12 -0.26 -0.34 0.00 0.00 178.44 177.08 1yql h PHE 142 N 0.62 0.05 -0.12 1.25 -1.00 -1.37 -2.46 116.94 113.90 1yql h PHE 142 Ca 0.23 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1yql h PHE 142 Cb 0.08 -0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 1yql h PHE 142 CO -0.07 1.03 -0.00 0.77 -1.61 0.00 0.00 178.31 178.42 1yql h SER 143 N 0.01 0.22 1.15 2.17 0.02 -1.03 -2.98 113.55 113.09 1yql h SER 143 Ca -0.06 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1yql h SER 143 Cb 1.82 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1yql h SER 143 CO 0.13 0.48 0.00 -0.26 -1.14 0.00 0.00 176.83 176.04 1yql h PHE 144 N -0.06 0.00 -0.11 3.45 -1.00 -1.36 -1.45 116.94 116.42 1yql h PHE 144 Ca 0.03 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.75 1yql h PHE 144 Cb 0.38 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 1yql h PHE 144 CO 0.04 0.00 -0.23 0.82 -1.61 0.00 0.00 178.31 177.33 1yql h ILE 145 N 0.00 1.21 0.00 -0.55 2.04 -1.29 -0.07 117.51 118.85 1yql h ILE 145 Ca 0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1yql h ILE 145 Cb 0.57 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1yql h ILE 145 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.45 1yql h SER 147 N 0.00 0.40 -0.83 0.00 0.02 -0.91 -3.44 113.55 108.78 1yql h SER 147 Ca 0.00 -0.16 -0.69 0.00 -0.84 0.00 0.00 61.79 60.10 1yql h SER 147 Cb 0.13 -0.11 0.03 0.00 0.14 0.00 0.00 62.40 62.59 1yql h SER 147 CO 0.00 0.74 0.26 -0.24 -1.14 0.00 0.00 176.83 176.45 1yql n SER 148 N -4.05 0.40 -3.82 3.07 2.88 -1.24 -1.79 113.62 109.07 1yql n SER 148 Ca -0.01 0.97 -0.28 0.00 -1.33 0.00 0.00 58.87 58.22 1yql n SER 148 Cb 0.47 -0.75 0.01 0.00 -0.75 0.00 0.00 64.21 63.19 1yql n SER 148 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yql s ASN 150 N -3.69 -0.39 0.28 0.00 3.04 -0.74 -5.14 114.94 108.31 1yql s ASN 150 Ca 0.25 0.51 0.00 0.00 0.04 0.00 0.00 52.86 53.66 1yql s ASN 150 Cb -0.14 0.58 -0.04 0.00 -1.54 0.00 0.00 41.25 40.11 1yql s ASN 150 CO 0.63 -0.38 0.47 0.54 -3.04 0.00 0.00 177.10 175.32 1yql s ASN 151 N -0.76 6.34 0.42 -4.21 2.20 -1.26 -4.94 114.94 112.74 1yql s ASN 151 Ca -0.08 0.40 0.15 0.00 -0.94 0.00 0.00 52.86 52.39 1yql s ASN 151 Cb -0.03 -2.01 1.04 0.00 -2.00 0.00 0.00 41.25 38.25 1yql s ASN 151 CO 0.04 -0.18 1.91 0.40 -2.94 0.00 0.00 177.10 176.34 1yql h ILE 152 N 1.10 0.79 -0.03 0.54 2.04 -1.98 -0.27 117.51 119.70 1yql h ILE 152 Ca -0.49 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 1yql h ILE 152 Cb 1.21 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1yql h ILE 152 CO 0.64 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.78 1yql h ALA 153 N 1.64 0.05 -0.61 1.87 0.00 -1.98 -1.81 119.26 118.42 1yql h ALA 153 Ca 0.38 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1yql h ALA 153 Cb 0.86 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1yql h ALA 153 CO -0.13 -0.08 0.40 -0.09 0.00 0.00 0.00 179.25 179.35 1yql h ARG 154 N -0.46 0.80 -0.24 0.00 2.43 -1.85 -1.85 114.38 113.22 1yql h ARG 154 Ca -0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 1yql h ARG 154 Cb 0.70 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1yql h ARG 154 CO 0.02 0.54 -0.06 0.82 -1.51 0.00 0.00 179.97 179.77 1yql h ILE 155 N 0.82 0.75 -0.64 1.20 2.04 -1.09 -1.53 117.51 119.07 1yql h ILE 155 Ca 0.22 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.19 1yql h ILE 155 Cb -0.09 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 36.67 1yql h ILE 155 CO -0.05 0.00 0.25 0.74 0.00 0.00 0.00 178.15 179.09 1yql h THR 156 N -0.00 0.75 -0.13 -0.27 2.02 -0.80 -0.82 112.91 113.66 1yql h THR 156 Ca 0.12 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1yql h THR 156 Cb 0.18 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1yql h THR 156 CO -0.25 0.08 0.08 1.23 0.37 0.00 0.00 175.52 177.03 1yql h GLY 157 N 0.43 0.19 0.67 2.16 0.00 -0.57 -2.27 103.07 103.67 1yql h GLY 157 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1yql h GLY 157 CO -0.33 0.07 -0.27 -0.33 0.00 0.00 0.00 176.54 175.69 1yql h MET 158 N 0.15 -0.54 -0.79 4.80 2.07 -0.75 -1.95 114.93 117.93 1yql h MET 158 Ca 0.05 0.04 0.11 0.00 -2.07 0.00 0.00 59.70 57.83 1yql h MET 158 Cb 0.02 0.12 -0.08 0.00 -1.87 0.00 0.00 31.60 29.79 1yql h MET 158 CO -0.01 -0.36 0.41 0.28 1.07 0.00 0.00 176.91 178.31 1yql h VAL 159 N -0.56 0.82 -0.14 -2.22 2.07 -1.08 0.16 116.25 115.30 1yql h VAL 159 Ca -0.00 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1yql h VAL 159 Cb 0.52 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1yql h VAL 159 CO -0.07 0.12 -0.61 1.05 0.02 0.00 0.00 177.57 178.08 1yql h GLU 160 N 0.66 0.50 -0.50 1.57 4.11 -1.26 -0.74 114.58 118.91 1yql h GLU 160 Ca 0.40 -0.34 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 1yql h GLU 160 Cb 0.47 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yql h GLU 160 CO -0.30 0.95 0.23 0.00 0.07 0.00 0.00 179.01 179.97 1yql h ARG 161 N 0.37 0.73 -0.37 1.06 3.08 -0.54 0.33 114.38 119.04 1yql h ARG 161 Ca -0.01 -0.11 0.04 0.00 0.07 0.00 0.00 59.98 59.98 1yql h ARG 161 Cb 1.16 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 1yql h ARG 161 CO 0.11 0.62 0.12 1.25 -1.07 0.00 0.00 179.97 181.00 1yql h LEU 162 N 0.66 0.12 -0.66 3.04 6.46 -0.50 -0.71 115.31 123.73 1yql h LEU 162 Ca 0.17 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.87 1yql h LEU 162 Cb 0.14 0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1yql h LEU 162 CO -0.02 0.10 -0.06 0.00 -0.62 0.00 0.00 178.44 177.84 1yql h GLN 164 N 0.88 1.12 -0.01 0.00 3.07 0.14 0.36 115.11 120.67 1yql h GLN 164 Ca 0.15 -0.19 -0.18 0.00 0.09 0.00 0.00 58.65 58.52 1yql h GLN 164 Cb 0.60 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1yql h GLN 164 CO 0.04 0.90 -0.81 0.00 0.09 0.00 0.00 178.83 179.04 1yql h ALA 165 N 1.16 0.61 0.00 0.06 0.00 -0.95 -3.38 119.26 116.76 1yql h ALA 165 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1yql h ALA 165 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yql h ALA 165 CO -0.03 0.88 0.00 1.19 0.00 0.00 0.00 179.25 181.29 1yql n PHE 166 N -3.70 0.00 -3.78 0.00 3.01 -0.60 -5.08 117.46 107.31 1yql n PHE 166 Ca -0.03 -0.14 -0.27 0.00 1.01 0.00 0.00 57.45 58.01 1yql n PHE 166 Cb 0.76 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.18 1yql n PHE 166 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1yql s GLY 167 N -0.29 1.79 0.24 1.37 0.00 0.13 -4.41 107.32 106.15 1yql s GLY 167 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 1yql s GLY 167 CO 0.00 -0.85 1.40 -4.14 0.00 0.00 0.00 173.10 169.50 1yql s PRO 168 N -3.25 4.31 0.10 2.90 0.02 -1.24 -4.66 135.00 133.18 1yql s PRO 168 Ca 0.37 2.22 -0.31 0.00 0.02 0.00 0.00 61.00 63.30 1yql s PRO 168 Cb -0.11 -3.13 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 1yql s PRO 168 CO 0.29 -0.36 1.39 0.50 -0.33 0.00 0.00 177.00 178.49 1yql s ARG 169 N -0.32 4.32 0.00 5.54 3.52 -1.26 -0.38 118.95 130.37 1yql s ARG 169 Ca 0.58 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 1yql s ARG 169 Cb -0.40 -3.29 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 1yql s ARG 169 CO 0.42 -0.45 0.00 1.28 -0.81 0.00 0.00 175.30 175.74 1yql n LEU 170 N 4.12 0.00 -4.30 -0.88 4.77 0.96 -4.88 117.00 116.79 1yql n LEU 170 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1yql n LEU 170 Cb 0.42 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1yql n LEU 170 CO 0.59 0.00 -0.33 0.27 -1.33 0.00 0.00 177.39 176.58 1yql s ILE 171 N 0.39 0.94 -0.13 -0.08 -4.36 -1.24 -4.95 121.20 111.77 1yql s ILE 171 Ca 0.00 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.38 1yql s ILE 171 Cb 0.00 -2.25 -0.00 0.00 1.25 0.00 0.00 42.46 41.45 1yql s ILE 171 CO 0.00 -0.39 -0.17 -1.58 0.24 0.00 0.00 174.94 173.04 1yql s GLN 172 N -3.87 3.20 -0.10 0.37 0.74 -1.26 -0.69 119.66 118.05 1yql s GLN 172 Ca 0.27 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.92 1yql s GLN 172 Cb 0.06 -2.54 0.01 0.00 1.10 0.00 0.00 33.01 31.64 1yql s GLN 172 CO 0.07 0.10 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.25 1yql s LEU 173 N 0.60 1.70 0.00 3.68 1.43 -0.49 -4.94 118.68 120.66 1yql s LEU 173 Ca -0.10 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1yql s LEU 173 Cb -0.16 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1yql s LEU 173 CO 0.03 0.01 0.00 0.47 0.23 0.00 0.00 176.35 177.10 1yql n ASP 174 N 4.18 0.00 -1.58 2.29 10.43 -1.26 -1.08 116.55 129.54 1yql n ASP 174 Ca -0.19 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.12 1yql n ASP 174 Cb 0.51 0.00 0.25 0.00 1.84 0.00 0.00 41.12 43.72 1yql n ASP 174 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1yql n ASP 175 N 5.08 3.82 -4.30 -2.24 3.85 -1.26 -4.92 116.55 116.59 1yql n ASP 175 Ca 0.00 -3.40 -0.35 0.00 -0.71 0.00 0.00 54.79 50.33 1yql n ASP 175 Cb 0.00 -0.69 -0.14 0.00 -1.35 0.00 0.00 41.12 38.94 1yql n ASP 175 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1yql s VAL 176 N -3.08 3.35 -0.46 2.12 1.01 -0.24 -5.07 120.40 118.03 1yql s VAL 176 Ca 0.50 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1yql s VAL 176 Cb 0.42 -2.55 0.08 0.00 0.00 0.00 0.00 36.38 34.33 1yql s VAL 176 CO 0.08 0.38 0.36 -0.89 0.00 0.00 0.00 175.10 175.04 1yql s THR 177 N 1.46 4.90 0.32 3.92 2.01 -1.26 -1.39 115.64 125.60 1yql s THR 177 Ca 0.05 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 1yql s THR 177 Cb -0.15 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 1yql s THR 177 CO -0.03 -0.59 1.17 -0.31 -0.69 0.00 0.00 174.62 174.17 1yql s TYR 178 N 1.56 3.32 0.09 4.92 1.51 0.14 -4.90 117.35 123.99 1yql s TYR 178 Ca 0.04 1.59 0.09 0.00 -1.01 0.00 0.00 57.07 57.78 1yql s TYR 178 Cb -0.25 -3.41 -0.03 0.00 -0.11 0.00 0.00 41.96 38.16 1yql s TYR 178 CO 0.05 -1.07 -0.24 -1.01 -1.11 0.00 0.00 175.55 172.16 1yql s HIS 179 N -1.22 2.11 0.66 2.71 3.76 -1.26 -0.03 115.29 122.02 1yql s HIS 179 Ca 0.48 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.89 1yql s HIS 179 Cb -0.34 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.16 1yql s HIS 179 CO 0.44 0.23 1.05 0.20 -0.85 0.00 0.00 174.74 175.81 1yql s GLY 180 N -1.74 1.63 0.32 -2.22 0.00 0.49 -4.90 107.32 100.91 1yql s GLY 180 Ca 0.11 -0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.27 1yql s GLY 180 CO 0.04 0.05 1.22 -0.12 0.00 0.00 0.00 173.10 174.29 1yql s PHE 181 N -3.25 3.23 0.63 1.90 5.36 -1.26 -3.61 117.98 120.98 1yql s PHE 181 Ca 0.56 1.53 -0.18 0.00 -0.96 0.00 0.00 56.93 57.88 1yql s PHE 181 Cb -0.11 -3.52 -0.02 0.00 -0.34 0.00 0.00 43.02 39.03 1yql s PHE 181 CO 0.52 -1.36 1.16 -2.30 -1.46 0.00 0.00 175.22 171.78 1yql n PRO 182 N 0.87 1.02 -2.39 10.12 -0.02 -1.26 -4.68 135.00 138.66 1yql n PRO 182 Ca -0.00 0.40 -0.26 0.00 -2.02 0.00 0.00 63.50 61.62 1yql n PRO 182 Cb 0.43 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 1yql n PRO 182 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1yql s SER 183 N -1.33 5.47 0.12 2.55 1.04 -1.26 -4.91 113.70 115.38 1yql s SER 183 Ca 0.80 0.64 -0.26 0.00 0.48 0.00 0.00 55.95 57.62 1yql s SER 183 Cb -0.39 -1.58 -0.06 0.00 0.10 0.00 0.00 66.02 64.09 1yql s SER 183 CO 0.43 -1.14 1.64 0.25 0.98 0.00 0.00 173.24 175.40 1yql h LEU 184 N -0.22 -0.72 -0.62 2.42 5.85 -1.96 -1.52 115.31 118.54 1yql h LEU 184 Ca -0.45 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1yql h LEU 184 Cb 1.27 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.51 1yql h LEU 184 CO 0.60 -0.31 0.21 1.56 -0.34 0.00 0.00 178.44 180.16 1yql h GLN 185 N -0.39 0.36 -0.20 1.25 7.50 -1.94 -0.15 115.11 121.55 1yql h GLN 185 Ca 0.06 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.19 1yql h GLN 185 Cb 0.46 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 1yql h GLN 185 CO -0.21 0.24 0.13 0.00 -1.50 0.00 0.00 178.83 177.48 1yql h ALA 186 N 1.44 0.26 0.00 3.87 0.00 -1.82 -2.42 119.26 120.58 1yql h ALA 186 Ca 0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1yql h ALA 186 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yql h ALA 186 CO -0.34 -0.25 -0.14 -0.07 0.00 0.00 0.00 179.25 178.45 1yql h LEU 187 N 0.25 0.00 -1.42 0.00 3.38 -0.60 -1.96 115.31 114.96 1yql h LEU 187 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yql h LEU 187 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yql h LEU 187 CO -0.01 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1yql n ALA 188 N -2.26 2.46 -1.49 1.53 0.00 -0.13 -4.49 120.51 116.13 1yql n ALA 188 Ca -0.01 -0.67 -0.32 0.00 0.00 0.00 0.00 53.44 52.44 1yql n ALA 188 Cb 0.29 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.79 1yql n ALA 188 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yql s GLY 189 N -1.17 1.95 0.29 0.00 0.00 -0.74 -4.84 107.32 102.81 1yql s GLY 189 Ca 0.29 0.37 -0.30 0.00 0.00 0.00 0.00 44.72 45.08 1yql s GLY 189 CO 0.21 0.71 1.49 -1.55 0.00 0.00 0.00 173.10 173.96 1yql n PRO 190 N -2.71 2.44 -1.04 2.90 -0.04 -1.26 -2.44 135.00 132.84 1yql n PRO 190 Ca 0.09 0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 64.40 1yql n PRO 190 Cb 0.53 -2.58 -0.01 0.00 -0.04 0.00 0.00 33.50 31.40 1yql n PRO 190 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yql n GLU 191 N 1.71 -1.10 0.01 0.54 1.02 -1.26 -4.90 120.64 116.67 1yql n GLU 191 Ca 0.08 0.36 -0.11 0.00 -0.02 0.00 0.00 57.16 57.47 1yql n GLU 191 Cb 0.35 -4.23 -0.06 0.00 -0.02 0.00 0.00 31.44 27.49 1yql n GLU 191 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1yql h VAL 192 N 0.00 0.96 -0.22 2.62 2.07 -1.80 -2.15 116.25 117.73 1yql h VAL 192 Ca -0.03 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1yql h VAL 192 Cb 0.59 0.92 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 1yql h VAL 192 CO 0.04 0.01 -0.47 -0.08 0.02 0.00 0.00 177.57 177.09 1yql h GLU 193 N 0.04 -0.45 -0.90 1.57 4.81 -1.84 0.31 114.58 118.10 1yql h GLU 193 Ca 0.03 0.03 0.22 0.00 -0.13 0.00 0.00 59.36 59.51 1yql h GLU 193 Cb 0.03 0.10 -0.12 0.00 0.63 0.00 0.00 28.75 29.39 1yql h GLU 193 CO -0.05 -0.30 0.42 0.00 -0.73 0.00 0.00 179.01 178.35 1yql h ALA 194 N 0.07 1.46 -0.29 2.92 0.00 -1.90 0.80 119.26 122.33 1yql h ALA 194 Ca 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1yql h ALA 194 Cb 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1yql h ALA 194 CO -0.47 -0.31 0.01 1.25 0.00 0.00 0.00 179.25 179.74 1yql h HIS 195 N 0.45 0.55 -0.22 0.00 -0.00 -0.07 -2.48 115.15 113.37 1yql h HIS 195 Ca 0.56 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.81 1yql h HIS 195 Cb 1.04 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 1yql h HIS 195 CO -0.12 0.63 0.01 -0.07 -0.00 0.00 0.00 177.93 178.39 1yql h LEU 196 N 0.30 0.30 -0.55 0.26 3.38 0.13 -1.99 115.31 117.14 1yql h LEU 196 Ca 0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1yql h LEU 196 Cb 0.40 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1yql h LEU 196 CO 0.01 0.35 -0.01 0.03 0.09 0.00 0.00 178.44 178.90 1yql h ARG 197 N 0.32 0.97 0.00 1.13 3.08 -0.65 -0.43 114.38 118.81 1yql h ARG 197 Ca 0.08 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1yql h ARG 197 Cb 0.20 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1yql h ARG 197 CO 0.00 0.99 0.00 1.63 -1.07 0.00 0.00 179.97 181.52 1yql n LYS 198 N -4.25 0.18 0.00 0.04 5.02 -0.80 -1.12 118.16 117.23 1yql n LYS 198 Ca 0.02 0.51 0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1yql n LYS 198 Cb 0.34 -1.92 0.31 0.00 -0.02 0.00 0.00 35.03 33.75 1yql n LYS 198 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1yql n LEU 199 N -2.26 1.75 0.00 -0.35 4.77 -0.22 -4.97 117.00 115.71 1yql n LEU 199 Ca 0.01 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1yql n LEU 199 Cb 0.15 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1yql n LEU 199 CO 0.16 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1yql n GLY 200 N 1.30 0.68 0.00 -0.72 0.00 -0.28 -4.89 105.19 101.27 1yql n GLY 200 Ca 0.14 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.92 1yql n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yql n LEU 201 N 0.00 0.00 0.00 0.99 4.32 -1.02 -4.99 117.00 116.30 1yql n LEU 201 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1yql n LEU 201 Cb 0.00 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1yql n LEU 201 CO 0.00 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.76 1yql n GLY 202 N 1.36 1.54 0.00 -0.72 0.00 -1.26 -1.85 105.19 104.26 1yql n GLY 202 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1yql n GLY 202 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1yql n TYR 203 N 3.73 0.00 0.19 1.61 0.18 -1.26 -0.68 117.16 120.93 1yql n TYR 203 Ca 0.00 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.84 1yql n TYR 203 Cb 0.00 -0.48 0.32 0.00 -0.38 0.00 0.00 39.34 38.80 1yql n TYR 203 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1yql h ARG 204 N 0.00 0.00 -0.37 -3.48 3.08 -1.74 -3.00 114.38 108.87 1yql h ARG 204 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1yql h ARG 204 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1yql h ARG 204 CO 0.00 0.35 0.03 0.00 -1.07 0.00 0.00 179.97 179.28 1yql h ALA 205 N 1.65 0.35 -0.54 0.04 0.00 -0.99 -1.33 119.26 118.45 1yql h ALA 205 Ca -0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1yql h ALA 205 Cb 0.94 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1yql h ALA 205 CO 0.05 -0.38 0.30 -0.09 0.00 0.00 0.00 179.25 179.13 1yql h ARG 206 N 0.13 0.58 -0.07 0.00 2.43 -1.71 -2.42 114.38 113.32 1yql h ARG 206 Ca 0.18 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 1yql h ARG 206 Cb 0.23 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1yql h ARG 206 CO -0.28 0.38 -0.36 1.88 -1.51 0.00 0.00 179.97 180.09 1yql h TYR 207 N 0.59 0.16 0.13 2.20 0.05 -1.43 -0.16 116.97 118.51 1yql h TYR 207 Ca 0.23 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 1yql h TYR 207 Cb 0.08 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1yql h TYR 207 CO -0.08 0.48 -0.06 0.28 -1.05 0.00 0.00 178.16 177.73 1yql h VAL 208 N 0.12 0.98 0.16 -2.88 2.07 -0.87 0.52 116.25 116.34 1yql h VAL 208 Ca 0.01 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1yql h VAL 208 Cb 0.70 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1yql h VAL 208 CO 0.05 0.11 -0.08 -1.28 0.02 0.00 0.00 177.57 176.39 1yql h SER 209 N -0.39 -0.20 -0.10 0.57 0.87 -1.28 -1.24 113.55 111.77 1yql h SER 209 Ca -0.02 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1yql h SER 209 Cb 0.32 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.29 1yql h SER 209 CO 0.03 -0.14 -0.20 0.00 -0.53 0.00 0.00 176.83 175.99 1yql h ALA 210 N 0.62 -0.17 -0.36 6.23 0.00 -0.98 -0.79 119.26 123.81 1yql h ALA 210 Ca -0.02 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1yql h ALA 210 Cb 0.18 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1yql h ALA 210 CO 0.03 -0.66 0.05 0.77 0.00 0.00 0.00 179.25 179.44 1yql h SER 211 N -0.26 0.49 -0.08 0.00 0.02 -0.80 0.24 113.55 113.15 1yql h SER 211 Ca 0.09 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1yql h SER 211 Cb 0.39 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1yql h SER 211 CO -0.25 0.52 0.02 0.00 -1.14 0.00 0.00 176.83 175.98 1yql h ALA 212 N 1.54 0.11 -0.57 3.77 0.00 -0.66 -1.79 119.26 121.66 1yql h ALA 212 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1yql h ALA 212 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1yql h ALA 212 CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.99 1yql h ARG 213 N -0.08 0.99 -0.06 0.00 3.08 -0.86 -2.54 114.38 114.92 1yql h ARG 213 Ca 0.03 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1yql h ARG 213 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1yql h ARG 213 CO 0.00 0.97 -0.07 0.00 -1.07 0.00 0.00 179.97 179.80 1yql h ALA 214 N 1.08 -0.02 -0.60 0.04 0.00 -0.39 0.67 119.26 120.04 1yql h ALA 214 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1yql h ALA 214 Cb 0.53 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1yql h ALA 214 CO 0.03 -0.54 0.33 0.82 0.00 0.00 0.00 179.25 179.88 1yql h ILE 215 N -0.09 1.20 -0.07 0.00 2.04 -1.26 0.78 117.51 120.11 1yql h ILE 215 Ca 0.05 -0.49 -0.24 0.00 1.00 0.00 0.00 64.86 65.18 1yql h ILE 215 Cb 0.16 0.42 0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1yql h ILE 215 CO -0.12 0.21 -0.87 0.25 0.00 0.00 0.00 178.15 177.62 1yql h LEU 216 N 0.82 0.89 -2.26 1.44 5.85 -1.15 0.34 115.31 121.24 1yql h LEU 216 Ca 0.21 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1yql h LEU 216 Cb 0.04 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.81 1yql h LEU 216 CO -0.03 1.45 0.00 -0.62 -0.34 0.00 0.00 178.44 178.90 1yql n GLU 217 N -3.94 2.19 0.00 1.25 1.02 0.23 -4.32 120.64 117.08 1yql n GLU 217 Ca -0.09 -2.02 0.00 0.00 -0.02 0.00 0.00 57.16 55.02 1yql n GLU 217 Cb 0.80 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1yql n GLU 217 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1yql n GLU 218 N 1.14 0.95 -0.11 3.49 1.02 0.20 -4.93 120.64 122.41 1yql n GLU 218 Ca 0.15 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.37 1yql n GLU 218 Cb 0.51 -0.45 0.13 0.00 -0.02 0.00 0.00 31.44 31.62 1yql n GLU 218 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1yql n GLN 219 N -0.41 1.92 -0.37 3.49 1.13 -0.81 -4.97 117.38 117.35 1yql n GLN 219 Ca 0.00 -1.82 0.00 0.00 -1.94 0.00 0.00 57.00 53.24 1yql n GLN 219 Cb 0.00 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.01 1yql n GLN 219 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yql n GLY 220 N 0.93 0.74 3.81 1.08 0.00 -1.14 -4.55 105.19 106.07 1yql n GLY 220 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1yql n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yql n GLY 221 N -2.17 -1.85 0.33 -0.02 0.00 0.12 -4.46 105.19 97.14 1yql n GLY 221 Ca 0.00 -1.69 0.14 0.00 0.00 0.00 0.00 46.02 44.46 1yql n GLY 221 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yql h LEU 222 N 0.00 0.60 -0.90 0.99 5.85 -1.94 -1.32 115.31 118.59 1yql h LEU 222 Ca 0.00 0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1yql h LEU 222 Cb 0.00 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1yql h LEU 222 CO 0.00 0.14 0.54 0.00 -0.34 0.00 0.00 178.44 178.78 1yql h ALA 223 N 1.68 1.32 -0.38 1.25 0.00 -1.95 -1.32 119.26 119.86 1yql h ALA 223 Ca 0.58 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.60 1yql h ALA 223 Cb 1.02 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1yql h ALA 223 CO -0.45 0.15 -0.08 2.35 0.00 0.00 0.00 179.25 181.23 1yql h TRP 224 N 0.88 -0.17 0.56 0.00 7.01 -1.46 0.32 115.95 123.10 1yql h TRP 224 Ca 0.44 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.45 1yql h TRP 224 Cb 0.42 0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.62 1yql h TRP 224 CO -0.04 -0.15 -0.27 1.25 -2.79 0.00 0.00 178.44 176.45 1yql h LEU 225 N 0.02 -0.64 -1.41 0.65 6.46 -1.42 -3.16 115.31 115.81 1yql h LEU 225 Ca 0.18 -0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1yql h LEU 225 Cb 0.28 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.33 1yql h LEU 225 CO -0.38 -0.38 0.45 1.56 -0.62 0.00 0.00 178.44 179.08 1yql h GLN 226 N -0.87 0.70 0.00 1.25 4.20 -0.94 -1.19 115.11 118.25 1yql h GLN 226 Ca -0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1yql h GLN 226 Cb 0.62 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1yql h GLN 226 CO 0.13 0.46 0.00 1.96 -0.67 0.00 0.00 178.83 180.71 1yql h GLN 227 N 0.72 0.00 0.00 1.46 4.20 -0.34 -2.26 115.11 118.89 1yql h GLN 227 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1yql h GLN 227 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1yql h GLN 227 CO -0.09 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.00 1yql h LEU 228 N 0.00 0.00 -1.41 1.46 4.07 -1.23 -1.64 115.31 116.57 1yql h LEU 228 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1yql h LEU 228 Cb 0.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 1yql h LEU 228 CO 0.00 0.00 -0.08 0.03 -1.08 0.00 0.00 178.44 177.31 1yql h ARG 229 N 0.00 0.00 0.00 1.13 3.08 -1.59 -2.52 114.38 114.48 1yql h ARG 229 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yql h ARG 229 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1yql h ARG 229 CO 0.00 0.08 -1.19 0.39 -1.07 0.00 0.00 179.97 178.19 1yql n GLU 230 N -3.23 0.57 -1.50 0.04 4.71 -0.62 -4.90 120.64 115.71 1yql n GLU 230 Ca 0.00 0.04 -0.30 0.00 -0.01 0.00 0.00 57.16 56.90 1yql n GLU 230 Cb 0.34 -1.74 0.10 0.00 -1.01 0.00 0.00 31.44 29.13 1yql n GLU 230 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1yql s SER 231 N -4.99 4.31 0.78 1.62 0.01 -0.95 -5.04 113.70 109.44 1yql s SER 231 Ca -0.01 1.33 -0.11 0.00 1.31 0.00 0.00 55.95 58.47 1yql s SER 231 Cb 0.11 -2.05 0.06 0.00 0.21 0.00 0.00 66.02 64.35 1yql s SER 231 CO 0.81 -2.09 1.08 -0.94 0.41 0.00 0.00 173.24 172.52 1yql s SER 232 N -3.83 4.52 0.17 2.44 1.04 -1.26 -4.80 113.70 111.98 1yql s SER 232 Ca 0.61 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 58.57 1yql s SER 232 Cb -0.15 -2.41 0.11 0.00 0.10 0.00 0.00 66.02 63.67 1yql s SER 232 CO 0.55 -2.00 1.75 0.22 0.98 0.00 0.00 173.24 174.73 1yql h TYR 233 N -1.11 0.24 -0.53 5.02 3.20 -1.96 -0.87 116.97 120.97 1yql h TYR 233 Ca -0.45 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.47 1yql h TYR 233 Cb 1.24 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 1yql h TYR 233 CO 0.55 0.08 0.31 0.93 -1.64 0.00 0.00 178.16 178.39 1yql h GLU 234 N 0.29 0.60 0.24 1.82 3.07 -1.99 0.06 114.58 118.67 1yql h GLU 234 Ca 0.20 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1yql h GLU 234 Cb 0.20 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 1yql h GLU 234 CO -0.21 0.39 -0.11 0.93 -1.40 0.00 0.00 179.01 178.61 1yql h GLU 235 N 0.61 -0.30 -0.14 2.33 4.39 -1.82 -1.77 114.58 117.88 1yql h GLU 235 Ca 0.22 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.98 1yql h GLU 235 Cb 0.04 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 1yql h GLU 235 CO -0.11 -0.10 -0.21 0.00 -1.16 0.00 0.00 179.01 177.43 1yql h ALA 236 N 0.27 -0.16 -0.82 3.43 0.00 -0.90 0.11 119.26 121.20 1yql h ALA 236 Ca -0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yql h ALA 236 Cb 0.35 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1yql h ALA 236 CO 0.05 -0.66 0.54 1.25 0.00 0.00 0.00 179.25 180.43 1yql h HIS 237 N -0.26 1.02 -0.40 0.00 -0.00 -0.98 -0.03 115.15 114.51 1yql h HIS 237 Ca 0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1yql h HIS 237 Cb 0.42 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 1yql h HIS 237 CO -0.32 0.63 0.05 -0.22 -0.00 0.00 0.00 177.93 178.07 1yql h LYS 238 N 1.09 0.68 0.14 5.26 1.63 -0.51 -2.84 116.57 122.03 1yql h LYS 238 Ca 0.31 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.91 1yql h LYS 238 Cb -0.09 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.46 1yql h LYS 238 CO -0.07 0.74 -0.07 0.00 -3.45 0.00 0.00 179.45 176.60 1yql h ALA 239 N 0.91 -0.18 -0.72 5.00 0.00 -0.22 -3.14 119.26 120.91 1yql h ALA 239 Ca 0.12 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1yql h ALA 239 Cb 0.40 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1yql h ALA 239 CO 0.01 -0.51 0.48 -0.07 0.00 0.00 0.00 179.25 179.16 1yql h LEU 240 N -0.36 0.41 -0.13 0.00 3.38 -1.02 -1.86 115.31 115.73 1yql h LEU 240 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yql h LEU 240 Cb 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1yql h LEU 240 CO 0.03 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.79 1yql h ILE 242 N 0.00 1.29 -3.78 0.00 2.04 -1.46 -3.45 117.51 112.14 1yql h ILE 242 Ca 0.00 -1.29 -0.55 0.00 1.00 0.00 0.00 64.86 64.02 1yql h ILE 242 Cb 0.18 1.38 0.11 0.00 -0.74 0.00 0.00 36.82 37.76 1yql h ILE 242 CO 0.00 0.42 0.70 0.18 0.00 0.00 0.00 178.15 179.46 1yql n LEU 243 N -4.32 4.53 -4.68 1.44 4.77 -1.09 -4.92 117.00 112.73 1yql n LEU 243 Ca -0.02 1.21 -0.42 0.00 -0.03 0.00 0.00 56.01 56.75 1yql n LEU 243 Cb 0.40 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 1yql n LEU 243 CO 0.43 -0.02 1.48 -2.84 -1.33 0.00 0.00 177.39 175.11 1yql s PRO 244 N -2.09 4.15 0.00 3.23 0.02 -1.26 -2.13 135.00 136.92 1yql s PRO 244 Ca 0.54 2.54 0.00 0.00 0.02 0.00 0.00 61.00 64.11 1yql s PRO 244 Cb -0.49 -3.74 0.00 0.00 0.02 0.00 0.00 34.50 30.29 1yql s PRO 244 CO 0.63 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1yql n GLY 245 N 4.26 0.76 3.15 0.52 0.00 -1.26 -4.39 105.19 108.23 1yql n GLY 245 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1yql n GLY 245 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yql s VAL 246 N -2.69 3.60 0.00 1.61 1.01 -0.90 -4.82 120.40 118.21 1yql s VAL 246 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.02 1yql s VAL 246 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1yql s VAL 246 CO 0.00 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1yql n GLY 247 N 4.70 2.01 0.24 4.51 0.00 -1.26 -4.34 105.19 111.06 1yql n GLY 247 Ca -0.04 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 1yql n GLY 247 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yql h THR 248 N 0.01 0.47 0.12 2.61 2.02 -1.96 -0.77 112.91 115.42 1yql h THR 248 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1yql h THR 248 Cb 0.00 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1yql h THR 248 CO 0.00 0.00 -0.06 -0.61 0.37 0.00 0.00 175.52 175.22 1yql h GLN 249 N -0.19 -0.16 -0.81 6.66 4.15 -1.96 -1.50 115.11 121.31 1yql h GLN 249 Ca 0.14 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1yql h GLN 249 Cb 0.40 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1yql h GLN 249 CO -0.36 -0.03 0.53 0.28 -1.93 0.00 0.00 178.83 177.32 1yql h VAL 250 N -0.25 1.19 -0.16 2.39 2.07 -1.87 -1.58 116.25 118.04 1yql h VAL 250 Ca -0.02 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1yql h VAL 250 Cb 0.20 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1yql h VAL 250 CO 0.03 0.20 -0.24 0.00 0.02 0.00 0.00 177.57 177.57 1yql h ALA 251 N 1.30 1.29 -0.27 1.67 0.00 -1.05 -1.79 119.26 120.43 1yql h ALA 251 Ca 0.30 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1yql h ALA 251 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1yql h ALA 251 CO -0.07 0.47 -0.47 -0.44 0.00 0.00 0.00 179.25 178.74 1yql h ASP 252 N 0.27 0.76 -0.26 0.00 3.32 -0.65 -0.36 116.42 119.49 1yql h ASP 252 Ca 0.04 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1yql h ASP 252 Cb 0.57 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1yql h ASP 252 CO 0.04 1.11 0.12 0.00 -1.72 0.00 0.00 179.24 178.79 1yql h ILE 254 N 0.29 1.11 -0.44 0.00 2.04 -1.24 0.38 117.51 119.65 1yql h ILE 254 Ca 0.09 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1yql h ILE 254 Cb 0.14 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 1yql h ILE 254 CO -0.01 0.11 0.16 0.00 0.00 0.00 0.00 178.15 178.41 1yql h LEU 256 N 0.33 0.27 0.00 0.00 5.85 -0.73 -0.47 115.31 120.57 1yql h LEU 256 Ca 0.20 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1yql h LEU 256 Cb 0.19 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1yql h LEU 256 CO -0.20 0.74 -0.74 0.24 -0.34 0.00 0.00 178.44 178.13 1yql h MET 257 N -0.19 0.00 0.00 1.25 2.86 -0.15 -3.41 114.93 115.29 1yql h MET 257 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1yql h MET 257 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1yql h MET 257 CO 0.03 0.00 -0.11 0.00 1.06 0.00 0.00 176.91 177.89 1yql n ALA 258 N -2.01 0.34 -0.45 6.32 0.00 0.65 -0.91 120.51 124.45 1yql n ALA 258 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 1yql n ALA 258 Cb 0.50 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.21 1yql n ALA 258 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yql n LEU 259 N -0.23 3.80 -3.40 0.00 4.77 -0.68 -4.62 117.00 116.64 1yql n LEU 259 Ca 0.00 -2.26 -0.24 0.00 -0.03 0.00 0.00 56.01 53.48 1yql n LEU 259 Cb 0.00 -0.43 0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1yql n LEU 259 CO 0.00 0.80 0.13 0.47 -1.33 0.00 0.00 177.39 177.47 1yql n ASP 260 N 0.80 -6.10 -4.12 -1.43 8.00 -1.10 -4.56 116.55 108.04 1yql n ASP 260 Ca 0.20 -0.46 -0.38 0.00 0.71 0.00 0.00 54.79 54.86 1yql n ASP 260 Cb 0.66 -4.86 -0.04 0.00 -0.02 0.00 0.00 41.12 36.86 1yql n ASP 260 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1yql n LYS 261 N -4.58 2.99 0.00 -1.24 4.01 -0.21 -4.91 118.16 114.22 1yql n LYS 261 Ca -0.04 -4.49 0.02 0.00 -0.51 0.00 0.00 58.31 53.30 1yql n LYS 261 Cb 0.58 -2.44 0.11 0.00 -0.51 0.00 0.00 35.03 32.76 1yql n LYS 261 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1yql n PRO 262 N 2.23 0.01 0.00 1.97 -0.04 -1.26 -1.74 135.00 136.17 1yql n PRO 262 Ca 0.23 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1yql n PRO 262 Cb 0.37 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 1yql n PRO 262 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yql n GLN 263 N -1.48 0.32 -1.93 0.54 0.00 -0.46 -1.13 117.38 113.24 1yql n GLN 263 Ca 0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 57.00 56.34 1yql n GLN 263 Cb 0.06 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 28.77 1yql n GLN 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yql s ALA 264 N -2.85 3.63 -0.36 2.61 0.00 -0.71 -4.05 121.76 120.03 1yql s ALA 264 Ca 0.12 1.07 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1yql s ALA 264 Cb 0.17 -3.75 0.07 0.00 0.00 0.00 0.00 23.12 19.62 1yql s ALA 264 CO 0.74 -1.34 0.12 0.08 0.00 0.00 0.00 175.76 175.36 1yql s VAL 265 N 3.70 3.36 0.06 0.00 1.01 -1.26 -3.78 120.40 123.49 1yql s VAL 265 Ca 0.76 -1.59 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1yql s VAL 265 Cb -0.37 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.86 1yql s VAL 265 CO 0.32 -0.37 1.52 -2.84 0.00 0.00 0.00 175.10 173.73 1yql s PRO 266 N 1.25 4.25 -0.37 2.72 0.02 -1.26 -4.79 135.00 136.82 1yql s PRO 266 Ca 0.01 2.17 -0.06 0.00 0.02 0.00 0.00 61.00 63.15 1yql s PRO 266 Cb -0.21 -3.49 0.06 0.00 0.02 0.00 0.00 34.50 30.88 1yql s PRO 266 CO -0.01 -0.62 0.15 0.08 -0.33 0.00 0.00 177.00 176.26 1yql s VAL 267 N 2.17 3.73 0.00 3.83 1.01 -1.26 -4.87 120.40 125.01 1yql s VAL 267 Ca 0.69 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1yql s VAL 267 Cb -0.37 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1yql s VAL 267 CO 0.30 -0.34 0.00 -0.90 0.00 0.00 0.00 175.10 174.16 1yql n ASP 268 N 4.78 1.96 -0.21 3.32 5.75 -1.26 -4.83 116.55 126.06 1yql n ASP 268 Ca -0.10 -0.75 -0.07 0.00 -0.01 0.00 0.00 54.79 53.85 1yql n ASP 268 Cb 0.43 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.55 1yql n ASP 268 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1yql h VAL 269 N 0.74 1.22 -0.42 2.12 2.07 -1.99 -2.53 116.25 117.47 1yql h VAL 269 Ca 0.00 -0.67 0.09 0.00 0.82 0.00 0.00 66.70 66.93 1yql h VAL 269 Cb 0.00 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 1yql h VAL 269 CO 0.00 0.26 -0.18 0.45 0.02 0.00 0.00 177.57 178.12 1yql h HIS 270 N 0.81 -0.45 0.00 1.57 3.86 -1.99 0.29 115.15 119.24 1yql h HIS 270 Ca 0.20 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1yql h HIS 270 Cb 0.18 0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1yql h HIS 270 CO 0.01 -0.27 -0.10 0.52 0.86 0.00 0.00 177.93 178.95 1yql h MET 271 N -0.10 0.00 -0.19 2.45 2.86 -1.86 -1.27 114.93 116.81 1yql h MET 271 Ca 0.20 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.64 1yql h MET 271 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1yql h MET 271 CO -0.48 0.10 -0.68 -1.49 1.06 0.00 0.00 176.91 175.42 1yql h TRP 272 N 0.00 1.00 -0.35 -0.22 4.06 -0.56 0.89 115.95 120.78 1yql h TRP 272 Ca -0.00 -0.41 -0.15 0.00 2.06 0.00 0.00 58.89 60.39 1yql h TRP 272 Cb 0.51 -0.17 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1yql h TRP 272 CO 0.00 1.22 -0.38 1.25 -3.56 0.00 0.00 178.44 176.98 1yql h HIS 273 N 0.55 0.99 -0.21 0.49 2.76 -0.74 -1.36 115.15 117.62 1yql h HIS 273 Ca -0.02 -0.29 -0.07 0.00 -2.20 0.00 0.00 60.37 57.79 1yql h HIS 273 Cb 1.29 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 30.03 1yql h HIS 273 CO 0.07 1.08 -0.14 0.82 -1.30 0.00 0.00 177.93 178.46 1yql h ILE 274 N 0.68 1.32 -0.82 6.26 2.04 -1.19 -0.43 117.51 125.38 1yql h ILE 274 Ca 0.06 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1yql h ILE 274 Cb 0.94 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1yql h ILE 274 CO 0.09 0.38 0.53 0.00 0.00 0.00 0.00 178.15 179.14 1yql h ALA 275 N 0.68 1.03 0.19 1.87 0.00 -0.74 -0.73 119.26 121.57 1yql h ALA 275 Ca 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yql h ALA 275 Cb 0.65 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yql h ALA 275 CO 0.04 0.46 -0.09 1.96 0.00 0.00 0.00 179.25 181.62 1yql h GLN 276 N 1.11 -0.25 -0.69 0.00 4.20 -1.20 -1.45 115.11 116.84 1yql h GLN 276 Ca 0.30 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.95 1yql h GLN 276 Cb -0.10 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 1yql h GLN 276 CO -0.06 0.07 0.14 -0.09 -0.67 0.00 0.00 178.83 178.22 1yql h ARG 277 N -0.98 1.12 -0.01 1.46 2.43 -1.13 -0.01 114.38 117.26 1yql h ARG 277 Ca -0.03 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1yql h ARG 277 Cb 0.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1yql h ARG 277 CO 0.04 1.01 -0.59 -0.25 -1.51 0.00 0.00 179.97 178.67 1yql n ASP 278 N -4.23 1.64 0.00 -3.80 8.00 -0.28 -4.50 116.55 113.39 1yql n ASP 278 Ca 0.05 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.25 1yql n ASP 278 Cb 0.28 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1yql n ASP 278 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1yql n TYR 279 N -0.49 0.00 -3.37 1.24 4.02 -0.84 -4.99 117.16 112.73 1yql n TYR 279 Ca 0.08 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.73 1yql n TYR 279 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.75 1yql n TYR 279 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1yql n SER 280 N -0.00 -4.45 -4.77 7.72 7.64 -0.02 -4.88 113.62 114.86 1yql n SER 280 Ca 0.00 -0.43 -0.38 0.00 1.01 0.00 0.00 58.87 59.07 1yql n SER 280 Cb 0.22 -3.63 -0.01 0.00 -1.01 0.00 0.00 64.21 59.77 1yql n SER 280 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1yql s TRP 281 N -3.05 2.96 -0.00 1.43 -0.00 -0.61 -4.97 118.94 114.71 1yql s TRP 281 Ca 0.42 1.53 -0.07 0.00 -0.00 0.00 0.00 56.10 57.98 1yql s TRP 281 Cb -0.21 -3.43 0.00 0.00 -0.00 0.00 0.00 33.47 29.83 1yql s TRP 281 CO 0.52 -1.49 0.13 -1.01 -0.00 0.00 0.00 176.95 175.10 1yql s HIS 282 N -1.44 0.03 0.09 5.86 3.76 -1.26 -4.57 115.29 117.75 1yql s HIS 282 Ca 0.59 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 55.11 1yql s HIS 282 Cb -0.31 -0.04 -0.06 0.00 1.11 0.00 0.00 32.58 33.28 1yql s HIS 282 CO 0.38 -0.26 1.13 -2.14 -0.85 0.00 0.00 174.74 173.00 1yql s PRO 283 N -1.22 4.51 -0.08 8.40 0.02 -1.26 -4.93 135.00 140.44 1yql s PRO 283 Ca -0.13 1.69 0.19 0.00 0.02 0.00 0.00 61.00 62.77 1yql s PRO 283 Cb -0.07 -3.34 -0.29 0.00 0.02 0.00 0.00 34.50 30.82 1yql s PRO 283 CO 0.01 -0.10 0.31 0.25 -0.33 0.00 0.00 177.00 177.14 1yql n THR 284 N 3.37 0.44 0.00 0.99 -2.24 -1.26 -4.80 114.28 110.79 1yql n THR 284 Ca 0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1yql n THR 284 Cb 0.47 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1yql n THR 284 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1yql n THR 285 N -2.37 0.00 -1.06 4.28 -1.04 -1.26 -4.95 114.28 107.87 1yql n THR 285 Ca -0.13 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.54 1yql n THR 285 Cb 0.73 -0.27 -0.00 0.00 -1.82 0.00 0.00 70.33 68.97 1yql n THR 285 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yql n SER 286 N -0.10 -2.49 -0.19 8.00 7.64 -1.26 -4.85 113.62 120.37 1yql n SER 286 Ca 0.00 0.64 0.12 0.00 1.01 0.00 0.00 58.87 60.64 1yql n SER 286 Cb 0.00 -0.72 0.21 0.00 -1.01 0.00 0.00 64.21 62.69 1yql n SER 286 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yql n GLN 287 N 1.13 0.57 -2.45 1.43 3.00 -1.26 -4.89 117.38 114.91 1yql n GLN 287 Ca 0.09 -0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 56.36 1yql n GLN 287 Cb 0.34 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 1yql n GLN 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1yql s ALA 288 N -2.70 2.87 -0.93 -1.58 0.00 -1.26 -4.98 121.76 113.18 1yql s ALA 288 Ca 0.18 0.52 0.22 0.00 0.00 0.00 0.00 51.96 52.87 1yql s ALA 288 Cb 0.18 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.98 1yql s ALA 288 CO 0.62 -0.38 0.98 1.63 0.00 0.00 0.00 175.76 178.62 1yql n LYS 289 N -1.21 0.05 -1.18 0.00 4.01 -1.26 -4.80 118.16 113.76 1yql n LYS 289 Ca 0.09 -0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 1yql n LYS 289 Cb 0.53 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1yql n LYS 289 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yql n GLY 290 N 1.48 4.96 3.68 0.72 0.00 -1.26 -4.94 105.19 109.83 1yql n GLY 290 Ca 0.04 -1.78 -0.44 0.00 0.00 0.00 0.00 46.02 43.83 1yql n GLY 290 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1yql n PRO 291 N 0.00 2.60 -3.50 1.61 -0.02 -1.26 -4.74 135.00 129.69 1yql n PRO 291 Ca 0.00 0.95 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 1yql n PRO 291 Cb 0.00 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 30.62 1yql n PRO 291 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1yql s SER 292 N 3.04 -0.50 0.31 2.55 1.04 -1.26 -4.99 113.70 113.89 1yql s SER 292 Ca 0.85 0.07 0.07 0.00 0.48 0.00 0.00 55.95 57.42 1yql s SER 292 Cb -0.54 0.55 0.83 0.00 0.10 0.00 0.00 66.02 66.96 1yql s SER 292 CO 0.41 -0.85 1.67 1.55 0.98 0.00 0.00 173.24 176.99 1yql h PRO 293 N 2.34 0.31 -0.07 4.02 0.13 -1.99 0.67 132.00 137.41 1yql h PRO 293 Ca -0.32 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.57 1yql h PRO 293 Cb 1.26 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1yql h PRO 293 CO 0.40 0.20 -0.83 1.96 -0.23 0.00 0.00 178.00 179.50 1yql h GLN 294 N 0.32 0.54 0.01 0.86 7.50 -1.96 -2.52 115.11 119.85 1yql h GLN 294 Ca 0.61 -0.48 -0.19 0.00 0.50 0.00 0.00 58.65 59.09 1yql h GLN 294 Cb 1.27 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.89 1yql h GLN 294 CO -0.60 1.11 -0.87 1.79 -1.50 0.00 0.00 178.83 178.77 1yql h THR 295 N 0.34 1.56 -0.37 -0.54 1.35 -1.63 -2.25 112.91 111.38 1yql h THR 295 Ca -0.06 -2.80 -0.09 0.00 -0.55 0.00 0.00 66.41 62.91 1yql h THR 295 Cb 1.44 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 70.39 1yql h THR 295 CO 0.15 0.81 -0.11 0.78 -0.25 0.00 0.00 175.52 176.90 1yql h ASN 296 N 0.04 0.75 -0.39 5.36 -0.26 -0.94 -0.82 115.58 119.31 1yql h ASN 296 Ca -0.02 -0.37 -0.00 0.00 -0.56 0.00 0.00 56.30 55.34 1yql h ASN 296 Cb 1.51 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.55 1yql h ASN 296 CO 0.12 0.95 0.24 0.50 -1.06 0.00 0.00 177.43 178.18 1yql h LYS 297 N 0.54 0.54 -0.60 0.81 3.64 -1.44 -2.27 116.57 117.77 1yql h LYS 297 Ca 0.09 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1yql h LYS 297 Cb 0.64 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.30 1yql h LYS 297 CO 0.04 0.40 0.34 1.49 -2.27 0.00 0.00 179.45 179.45 1yql h GLU 298 N 0.52 0.62 -0.53 1.90 4.81 -1.13 -2.18 114.58 118.58 1yql h GLU 298 Ca 0.14 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1yql h GLU 298 Cb 0.00 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 1yql h GLU 298 CO -0.03 0.41 0.26 1.25 -0.73 0.00 0.00 179.01 180.17 1yql h LEU 299 N 0.64 0.69 -1.54 1.64 6.46 -0.88 -0.52 115.31 121.80 1yql h LEU 299 Ca 0.26 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1yql h LEU 299 Cb 0.13 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1yql h LEU 299 CO -0.16 0.61 0.33 1.23 -0.62 0.00 0.00 178.44 179.84 1yql h GLY 300 N 0.71 0.67 2.00 3.75 0.00 -1.02 0.14 103.07 109.32 1yql h GLY 300 Ca 0.18 -0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1yql h GLY 300 CO -0.02 0.23 -0.67 3.43 0.00 0.00 0.00 176.54 179.50 1yql h ASN 301 N 0.62 0.00 -0.13 0.19 -0.26 -0.77 -1.32 115.58 113.91 1yql h ASN 301 Ca 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.90 1yql h ASN 301 Cb 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1yql h ASN 301 CO -0.05 0.67 -0.03 0.15 -1.06 0.00 0.00 177.43 177.11 1yql h PHE 302 N 0.00 0.29 -0.49 1.19 3.57 0.58 -0.48 116.94 121.59 1yql h PHE 302 Ca -0.01 -0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.30 1yql h PHE 302 Cb 1.20 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1yql h PHE 302 CO 0.00 0.55 -0.19 0.74 -2.23 0.00 0.00 178.31 177.18 1yql h PHE 303 N -0.05 1.14 -0.71 0.41 0.05 -1.13 -0.83 116.94 115.82 1yql h PHE 303 Ca 0.03 -0.27 -0.03 0.00 3.82 0.00 0.00 57.97 61.53 1yql h PHE 303 Cb 0.45 -0.27 -0.03 0.00 2.00 0.00 0.00 35.95 38.10 1yql h PHE 303 CO 0.05 1.09 0.33 -0.09 -0.18 0.00 0.00 178.31 179.51 1yql h ARG 304 N 0.87 1.02 -0.07 1.51 2.43 -1.18 0.23 114.38 119.18 1yql h ARG 304 Ca 0.12 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1yql h ARG 304 Cb 0.77 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1yql h ARG 304 CO 0.06 0.81 -0.41 1.03 -1.51 0.00 0.00 179.97 179.95 1yql h SER 305 N 0.99 0.16 0.11 -3.80 0.87 -0.90 -0.61 113.55 110.37 1yql h SER 305 Ca 0.24 -0.07 -0.24 0.00 -1.23 0.00 0.00 61.79 60.50 1yql h SER 305 Cb 0.13 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1yql h SER 305 CO -0.03 0.56 -1.00 0.25 -0.53 0.00 0.00 176.83 176.08 1yql h LEU 306 N 0.13 0.70 0.00 2.23 5.85 -0.26 -3.39 115.31 120.57 1yql h LEU 306 Ca 0.01 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.88 1yql h LEU 306 Cb 0.78 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1yql h LEU 306 CO 0.06 1.48 -1.82 0.79 -0.34 0.00 0.00 178.44 178.61 1yql n TRP 307 N -3.97 0.00 -0.11 1.25 8.01 0.72 -4.84 117.44 118.50 1yql n TRP 307 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 1yql n TRP 307 Cb 0.88 -0.41 0.00 0.00 -2.01 0.00 0.00 31.31 29.77 1yql n TRP 307 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1yql n GLY 308 N 1.36 -1.88 0.33 6.99 0.00 -0.24 -4.56 105.19 107.19 1yql n GLY 308 Ca -0.03 -2.00 0.16 0.00 0.00 0.00 0.00 46.02 44.15 1yql n GLY 308 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yql h PRO 309 N 0.00 0.00 -0.73 1.61 0.11 -1.92 -2.27 132.00 128.80 1yql h PRO 309 Ca 0.00 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.65 1yql h PRO 309 Cb 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 30.85 1yql h PRO 309 CO 0.00 0.00 0.15 0.66 -0.21 0.00 0.00 178.00 178.60 1yql n TYR 310 N -4.05 2.39 -0.03 0.65 4.02 -1.26 -1.35 117.16 117.52 1yql n TYR 310 Ca 0.02 -2.19 0.05 0.00 -0.01 0.00 0.00 57.90 55.76 1yql n TYR 310 Cb 0.31 -0.81 0.42 0.00 -0.02 0.00 0.00 39.34 39.24 1yql n TYR 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yql h ALA 311 N 1.54 1.74 -0.74 -0.72 0.00 -1.28 -0.84 119.26 118.96 1yql h ALA 311 Ca 0.43 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.33 1yql h ALA 311 Cb 1.59 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 1yql h ALA 311 CO 0.93 0.22 0.49 0.78 0.00 0.00 0.00 179.25 181.68 1yql h GLY 312 N 0.57 1.04 0.72 0.00 0.00 -1.22 0.15 103.07 104.34 1yql h GLY 312 Ca 0.18 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1yql h GLY 312 CO -0.04 0.36 -0.12 1.49 0.00 0.00 0.00 176.54 178.23 1yql h TRP 313 N 0.98 0.36 -0.91 5.60 4.06 -1.24 -1.94 115.95 122.86 1yql h TRP 313 Ca 0.28 -0.11 0.05 0.00 2.06 0.00 0.00 58.89 61.17 1yql h TRP 313 Cb -0.07 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 27.95 1yql h TRP 313 CO -0.00 0.70 0.60 0.00 -3.56 0.00 0.00 178.44 176.18 1yql h ALA 314 N 0.61 1.46 -0.90 1.49 0.00 -0.95 -0.38 119.26 120.58 1yql h ALA 314 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1yql h ALA 314 Cb 0.63 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 1yql h ALA 314 CO 0.03 0.43 0.55 0.37 0.00 0.00 0.00 179.25 180.64 1yql h GLN 315 N 1.10 0.92 -0.48 0.00 -0.00 -0.45 -1.91 115.11 114.29 1yql h GLN 315 Ca 0.38 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.92 1yql h GLN 315 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.34 1yql h GLN 315 CO -0.13 0.61 0.09 0.00 0.00 0.00 0.00 178.83 179.41 1yql h ALA 316 N 1.46 1.27 -0.24 3.38 0.00 -0.28 -0.66 119.26 124.19 1yql h ALA 316 Ca 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yql h ALA 316 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1yql h ALA 316 CO -0.22 0.51 0.08 0.28 0.00 0.00 0.00 179.25 179.90 1yql h VAL 317 N 0.71 1.18 -0.16 0.00 2.07 -1.10 -1.00 116.25 117.95 1yql h VAL 317 Ca 0.16 -0.57 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 1yql h VAL 317 Cb 0.30 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1yql h VAL 317 CO 0.00 0.19 -0.68 -0.07 0.02 0.00 0.00 177.57 177.03 1yql h LEU 318 N 0.22 0.88 -0.39 2.57 3.38 -1.37 -1.52 115.31 119.08 1yql h LEU 318 Ca 0.08 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.49 1yql h LEU 318 Cb 0.21 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1yql h LEU 318 CO -0.00 1.35 0.11 0.15 0.09 0.00 0.00 178.44 180.14 1yql h PHE 319 N 0.47 0.19 0.14 1.13 3.57 -1.09 0.42 116.94 121.77 1yql h PHE 319 Ca -0.04 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1yql h PHE 319 Cb 1.31 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1yql h PHE 319 CO 0.09 0.06 -0.07 0.77 -2.23 0.00 0.00 178.31 176.93 1yql h SER 320 N 0.25 -0.16 -0.91 0.41 0.02 -1.14 -1.72 113.55 110.30 1yql h SER 320 Ca 0.18 -0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1yql h SER 320 Cb 0.19 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1yql h SER 320 CO -0.22 -0.09 0.60 0.00 -1.14 0.00 0.00 176.83 175.98 1yql h ALA 321 N 0.65 1.47 0.00 3.77 0.00 -0.73 -0.35 119.26 124.08 1yql h ALA 321 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1yql h ALA 321 Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1yql h ALA 321 CO 0.03 0.41 -0.04 0.22 0.00 0.00 0.00 179.25 179.87 1yql h ASP 322 N 1.08 0.00 0.01 0.00 3.58 0.23 -3.00 116.42 118.31 1yql h ASP 322 Ca 0.38 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 1yql h ASP 322 Cb 0.13 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1yql h ASP 322 CO -0.13 0.04 -0.08 -0.07 -2.88 0.00 0.00 179.24 176.11 1yql h LEU 323 N 0.00 0.06 -0.59 2.28 3.38 -0.16 -3.31 115.31 116.97 1yql h LEU 323 Ca -0.00 -0.89 0.09 0.00 0.09 0.00 0.00 57.88 57.17 1yql h LEU 323 Cb 0.42 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.04 1yql h LEU 323 CO 0.01 0.94 -0.40 0.03 0.09 0.00 0.00 178.44 179.11 1yql h ARG 324 N -0.82 -0.19 0.00 1.13 2.47 -1.34 -3.52 114.38 112.11 1yql h ARG 324 Ca -0.01 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1yql h ARG 324 Cb 0.96 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.33 1yql h ARG 324 CO 0.02 -0.13 0.00 1.04 0.56 0.00 0.00 179.97 181.46