#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx1 s HIS 4 N 0.00 3.55 0.28 -1.77 3.76 -0.55 -5.02 115.29 115.55 1yx1 s HIS 4 Ca 0.00 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.05 1yx1 s HIS 4 Cb 0.00 -2.67 -0.10 0.00 1.11 0.00 0.00 32.58 30.92 1yx1 s HIS 4 CO 0.00 0.21 1.34 -1.25 -0.85 0.00 0.00 174.74 174.19 1yx1 s PRO 5 N -2.36 4.34 -0.05 8.40 0.04 -1.26 -4.55 135.00 139.56 1yx1 s PRO 5 Ca 0.49 2.21 0.06 0.00 0.04 0.00 0.00 61.00 63.79 1yx1 s PRO 5 Cb -0.15 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1yx1 s PRO 5 CO 0.20 -0.26 -0.23 0.08 0.04 0.00 0.00 177.00 176.83 1yx1 s VAL 6 N -0.61 1.84 0.13 -0.36 1.01 -1.26 -2.22 120.40 118.94 1yx1 s VAL 6 Ca 0.53 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1yx1 s VAL 6 Cb -0.40 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1yx1 s VAL 6 CO 0.47 0.52 -0.10 -0.55 0.00 0.00 0.00 175.10 175.44 1yx1 s SER 7 N -0.17 4.33 -0.17 3.32 0.15 0.17 -0.74 113.70 120.59 1yx1 s SER 7 Ca -0.01 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1yx1 s SER 7 Cb -0.12 -0.79 0.01 0.00 -1.71 0.00 0.00 66.02 63.41 1yx1 s SER 7 CO 0.02 0.15 -0.16 -0.63 1.20 0.00 0.00 173.24 173.82 1yx1 s ILE 8 N -1.39 2.46 -0.09 6.45 1.01 -0.80 -1.10 121.20 127.73 1yx1 s ILE 8 Ca 0.23 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 1yx1 s ILE 8 Cb -0.10 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1yx1 s ILE 8 CO 0.14 0.51 1.24 -0.55 0.00 0.00 0.00 174.94 176.29 1yx1 s SER 9 N 1.10 6.99 0.54 3.58 0.15 -0.53 -1.17 113.70 124.35 1yx1 s SER 9 Ca 0.00 1.80 0.30 0.00 0.70 0.00 0.00 55.95 58.75 1yx1 s SER 9 Cb -0.14 -2.55 1.51 0.00 -1.71 0.00 0.00 66.02 63.13 1yx1 s SER 9 CO -0.06 -0.66 2.08 -0.07 1.20 0.00 0.00 173.24 175.73 1yx1 h LEU 10 N 8.75 0.00 -1.84 3.45 3.38 -1.73 -0.94 115.31 126.38 1yx1 h LEU 10 Ca -0.32 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.84 1yx1 h LEU 10 Cb 1.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1yx1 h LEU 10 CO 0.91 0.10 0.64 0.77 0.09 0.00 0.00 178.44 180.95 1yx1 h SER 11 N 0.00 0.00 -0.79 -0.43 4.64 -1.92 -1.30 113.55 113.75 1yx1 h SER 11 Ca -0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1yx1 h SER 11 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1yx1 h SER 11 CO 0.01 0.00 0.53 0.28 -0.87 0.00 0.00 176.83 176.78 1yx1 h SER 12 N 0.00 0.35 0.83 4.97 0.02 -1.39 -2.10 113.55 116.23 1yx1 h SER 12 Ca 0.31 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1yx1 h SER 12 Cb 1.59 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.09 1yx1 h SER 12 CO -0.00 0.16 -0.04 -1.22 -1.14 0.00 0.00 176.83 174.59 1yx1 n TYR 13 N -4.47 0.00 0.00 3.45 4.01 -0.49 -0.70 117.16 118.97 1yx1 n TYR 13 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1yx1 n TYR 13 Cb 0.61 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1yx1 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx1 n GLY 14 N 1.44 2.10 0.29 2.72 0.00 -0.79 -4.74 105.19 106.22 1yx1 n GLY 14 Ca 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 1yx1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 h ALA 15 N 0.00 0.98 -0.32 4.61 0.00 -1.89 -0.92 119.26 121.73 1yx1 h ALA 15 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1yx1 h ALA 15 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1yx1 h ALA 15 CO 0.00 0.27 -0.07 -0.44 0.00 0.00 0.00 179.25 179.01 1yx1 h ASP 16 N 0.92 0.60 -0.20 0.00 3.32 -1.97 -0.73 116.42 118.37 1yx1 h ASP 16 Ca 0.30 -0.36 0.02 0.00 0.02 0.00 0.00 57.03 57.01 1yx1 h ASP 16 Cb 0.02 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1yx1 h ASP 16 CO -0.11 0.82 0.08 0.25 -1.72 0.00 0.00 179.24 178.55 1yx1 h LEU 17 N 0.38 0.09 -0.36 1.55 5.85 -1.78 -1.79 115.31 119.25 1yx1 h LEU 17 Ca 0.08 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1yx1 h LEU 17 Cb 0.55 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1yx1 h LEU 17 CO 0.03 0.08 0.04 0.58 -0.34 0.00 0.00 178.44 178.84 1yx1 h VAL 18 N 0.18 1.24 -0.61 1.05 2.07 -1.09 -1.47 116.25 117.62 1yx1 h VAL 18 Ca 0.09 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.75 1yx1 h VAL 18 Cb 0.05 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1yx1 h VAL 18 CO -0.08 0.29 0.38 0.03 0.02 0.00 0.00 177.57 178.21 1yx1 h ARG 19 N 0.43 0.74 -0.30 1.57 3.08 -1.05 0.29 114.38 119.14 1yx1 h ARG 19 Ca 0.11 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1yx1 h ARG 19 Cb 0.38 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 1yx1 h ARG 19 CO 0.01 0.49 -0.38 0.66 -1.07 0.00 0.00 179.97 179.68 1yx1 h SER 20 N 0.76 0.86 1.58 7.04 4.64 -1.17 -3.18 113.55 124.08 1yx1 h SER 20 Ca 0.24 -0.49 -0.07 0.00 -0.47 0.00 0.00 61.79 61.00 1yx1 h SER 20 Cb -0.01 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1yx1 h SER 20 CO -0.09 1.18 -0.43 0.03 -0.87 0.00 0.00 176.83 176.65 1yx1 h ARG 21 N 0.56 0.00 0.00 4.77 3.08 -1.18 -3.50 114.38 118.11 1yx1 h ARG 21 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1yx1 h ARG 21 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1yx1 h ARG 21 CO 0.09 0.27 0.00 0.41 -1.07 0.00 0.00 179.97 179.67 1yx1 n GLY 22 N 1.19 -0.57 0.16 0.04 0.00 0.10 -4.53 105.19 101.59 1yx1 n GLY 22 Ca 0.02 -1.45 -0.06 0.00 0.00 0.00 0.00 46.02 44.53 1yx1 n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1yx1 h GLN 23 N 0.00 0.25 -0.68 1.61 4.20 -1.86 -3.04 115.11 115.60 1yx1 h GLN 23 Ca 0.00 -0.19 0.11 0.00 0.06 0.00 0.00 58.65 58.63 1yx1 h GLN 23 Cb 0.00 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1yx1 h GLN 23 CO 0.00 0.82 0.45 0.00 -0.67 0.00 0.00 178.83 179.43 1yx1 h ALA 24 N 1.13 1.97 0.00 3.87 0.00 -1.94 -2.06 119.26 122.23 1yx1 h ALA 24 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yx1 h ALA 24 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1yx1 h ALA 24 CO 0.10 -0.13 0.00 0.66 0.00 0.00 0.00 179.25 179.88 1yx1 h SER 25 N 0.49 0.00 0.55 0.00 4.64 -1.76 -2.58 113.55 114.88 1yx1 h SER 25 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1yx1 h SER 25 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1yx1 h SER 25 CO -0.10 0.00 -0.42 0.49 -0.87 0.00 0.00 176.83 175.93 1yx1 n PHE 26 N -2.50 0.00 -0.09 4.77 3.72 -0.77 -4.46 117.46 118.12 1yx1 n PHE 26 Ca -0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 1yx1 n PHE 26 Cb 0.13 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 1yx1 n PHE 26 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1yx1 h LEU 27 N 0.07 0.44 -0.95 4.37 3.38 -1.60 -1.83 115.31 119.20 1yx1 h LEU 27 Ca 0.00 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1yx1 h LEU 27 Cb 0.50 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1yx1 h LEU 27 CO 0.00 0.57 0.59 -0.65 0.09 0.00 0.00 178.44 179.04 1yx1 h PRO 28 N 0.29 0.97 -0.10 1.13 0.11 -1.80 -1.53 132.00 131.07 1yx1 h PRO 28 Ca 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1yx1 h PRO 28 Cb 0.31 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1yx1 h PRO 28 CO 0.00 0.64 0.05 1.25 -0.21 0.00 0.00 178.00 179.73 1yx1 h LEU 29 N 0.99 0.08 -0.54 2.35 5.85 -1.73 -2.92 115.31 119.41 1yx1 h LEU 29 Ca 0.45 0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1yx1 h LEU 29 Cb 0.34 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1yx1 h LEU 29 CO -0.23 0.06 0.33 -0.07 -0.34 0.00 0.00 178.44 178.19 1yx1 h LEU 30 N 0.11 0.54 -1.47 2.25 4.07 -0.86 -0.44 115.31 119.52 1yx1 h LEU 30 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1yx1 h LEU 30 Cb -0.00 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.62 1yx1 h LEU 30 CO -0.02 0.38 0.00 0.00 -1.08 0.00 0.00 178.44 177.72 1yx1 n ALA 31 N -2.27 1.65 0.00 1.53 0.00 -0.62 -1.11 120.51 119.68 1yx1 n ALA 31 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1yx1 n ALA 31 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1yx1 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yx1 n ALA 33 N 0.57 0.00 0.00 0.00 0.00 -0.18 -4.30 120.51 116.60 1yx1 n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yx1 n ALA 33 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1yx1 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx1 n GLY 34 N 0.00 1.13 3.85 0.00 0.00 -1.01 -4.27 105.19 104.90 1yx1 n GLY 34 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1yx1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 s ALA 35 N -2.00 3.14 -0.32 4.61 0.00 -0.26 -4.83 121.76 122.09 1yx1 s ALA 35 Ca 0.00 0.06 0.19 0.00 0.00 0.00 0.00 51.96 52.22 1yx1 s ALA 35 Cb 0.00 -3.02 -0.27 0.00 0.00 0.00 0.00 23.12 19.83 1yx1 s ALA 35 CO 0.00 -0.24 0.56 1.04 0.00 0.00 0.00 175.76 177.12 1yx1 n GLN 36 N -1.66 0.63 -3.77 0.00 3.00 0.08 -4.57 117.38 111.09 1yx1 n GLN 36 Ca 0.06 -0.12 -0.13 0.00 -0.01 0.00 0.00 57.00 56.80 1yx1 n GLN 36 Cb 0.54 -1.45 -0.10 0.00 0.00 0.00 0.00 30.24 29.23 1yx1 n GLN 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1yx1 s ARG 37 N -3.18 0.44 -0.10 -1.09 3.52 -1.02 -1.35 118.95 116.17 1yx1 s ARG 37 Ca -0.02 0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1yx1 s ARG 37 Cb 0.13 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 1yx1 s ARG 37 CO 0.81 -0.07 0.02 0.54 -0.81 0.00 0.00 175.30 175.79 1yx1 s VAL 38 N -0.18 4.49 -0.32 7.11 0.11 -0.20 -1.91 120.40 129.50 1yx1 s VAL 38 Ca -0.03 -0.17 -0.08 0.00 -2.93 0.00 0.00 61.98 58.77 1yx1 s VAL 38 Cb -0.03 -2.91 0.02 0.00 -1.53 0.00 0.00 36.38 31.93 1yx1 s VAL 38 CO 0.01 0.59 0.12 -0.70 -3.33 0.00 0.00 175.10 171.79 1yx1 s GLU 39 N -0.75 2.93 0.38 1.54 2.12 -0.32 -0.82 118.70 123.78 1yx1 s GLU 39 Ca 0.12 -0.97 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 1yx1 s GLU 39 Cb -0.12 -3.48 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 1yx1 s GLU 39 CO 0.02 -0.55 0.83 -0.51 -0.54 0.00 0.00 175.26 174.52 1yx1 s LEU 40 N 1.49 3.97 -0.19 2.70 1.43 -0.14 -2.07 118.68 125.87 1yx1 s LEU 40 Ca 0.01 1.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.56 1yx1 s LEU 40 Cb -0.18 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 41.81 1yx1 s LEU 40 CO 0.04 -0.30 -0.13 -0.13 0.23 0.00 0.00 176.35 176.05 1yx1 s ARG 41 N -3.21 2.30 0.34 1.70 1.81 -1.26 -0.44 118.95 120.19 1yx1 s ARG 41 Ca 0.57 -0.82 0.10 0.00 -1.72 0.00 0.00 55.73 53.86 1yx1 s ARG 41 Cb -0.10 -2.42 0.87 0.00 -0.45 0.00 0.00 34.95 32.85 1yx1 s ARG 41 CO 0.18 -0.35 1.79 1.49 -0.68 0.00 0.00 175.30 177.72 1yx1 h GLU 42 N 7.96 0.61 0.00 3.54 4.81 -1.38 0.33 114.58 130.46 1yx1 h GLU 42 Ca -0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1yx1 h GLU 42 Cb 1.11 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1yx1 h GLU 42 CO 0.52 0.41 0.00 -0.85 -0.73 0.00 0.00 179.01 178.35 1yx1 n GLU 43 N -4.71 0.21 -0.17 1.92 0.00 -1.26 -2.94 120.64 113.69 1yx1 n GLU 43 Ca 0.23 0.10 0.12 0.00 0.00 0.00 0.00 57.16 57.61 1yx1 n GLU 43 Cb 0.65 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.82 1yx1 n GLU 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1yx1 n LEU 44 N -1.36 3.24 -4.63 -1.84 4.77 0.10 -4.82 117.00 112.47 1yx1 n LEU 44 Ca 0.09 -1.37 -0.42 0.00 -0.03 0.00 0.00 56.01 54.27 1yx1 n LEU 44 Cb 0.20 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 1yx1 n LEU 44 CO 0.18 0.68 0.78 -0.36 -1.33 0.00 0.00 177.39 177.34 1yx1 s PHE 45 N -1.57 3.18 0.20 -1.77 0.08 -1.15 -4.17 117.98 112.78 1yx1 s PHE 45 Ca 0.37 1.00 0.03 0.00 0.12 0.00 0.00 56.93 58.45 1yx1 s PHE 45 Cb 0.22 -3.46 0.14 0.00 -0.57 0.00 0.00 43.02 39.35 1yx1 s PHE 45 CO 0.31 -0.67 1.48 0.00 -0.10 0.00 0.00 175.22 176.25 1yx1 h ALA 46 N 8.10 0.71 -4.42 5.36 0.00 -1.88 -3.47 119.26 123.66 1yx1 h ALA 46 Ca -0.22 -0.60 -0.36 0.00 0.00 0.00 0.00 54.91 53.72 1yx1 h ALA 46 Cb 1.08 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 1yx1 h ALA 46 CO 0.96 0.79 -0.35 0.41 0.00 0.00 0.00 179.25 181.06 1yx1 n GLY 47 N 0.49 3.23 3.62 0.00 0.00 -1.26 -5.12 105.19 106.16 1yx1 n GLY 47 Ca -0.03 -1.87 -0.47 0.00 0.00 0.00 0.00 46.02 43.66 1yx1 n GLY 47 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yx1 n PRO 48 N -0.50 1.59 -2.29 1.61 -0.04 -1.26 -4.91 135.00 129.19 1yx1 n PRO 48 Ca 0.04 0.56 -0.34 0.00 -0.04 0.00 0.00 63.50 63.72 1yx1 n PRO 48 Cb 0.45 -2.13 -0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1yx1 n PRO 48 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1yx1 s PRO 49 N -0.44 3.44 -1.08 0.54 0.05 -1.26 -4.96 135.00 131.29 1yx1 s PRO 49 Ca 0.70 1.49 -0.18 0.00 0.05 0.00 0.00 61.00 63.06 1yx1 s PRO 49 Cb -0.75 -2.03 0.11 0.00 0.05 0.00 0.00 34.50 31.88 1yx1 s PRO 49 CO 0.51 -0.76 1.38 0.34 0.05 0.00 0.00 177.00 178.53 1yx1 s ASP 50 N -1.96 6.74 0.41 6.66 -1.08 -1.26 -4.88 116.67 121.30 1yx1 s ASP 50 Ca 0.70 -2.19 0.10 0.00 -0.52 0.00 0.00 52.55 50.63 1yx1 s ASP 50 Cb -0.21 -2.47 0.88 0.00 -1.46 0.00 0.00 42.92 39.66 1yx1 s ASP 50 CO 0.27 -1.11 2.00 0.71 0.52 0.00 0.00 175.17 177.55 1yx1 h THR 51 N 5.74 1.12 -0.29 1.71 1.35 -1.93 -0.65 112.91 119.97 1yx1 h THR 51 Ca 0.25 -0.47 -0.12 0.00 -0.55 0.00 0.00 66.41 65.53 1yx1 h THR 51 Cb 0.96 0.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1yx1 h THR 51 CO 1.28 0.16 -0.29 -0.33 -0.25 0.00 0.00 175.52 176.09 1yx1 h GLU 52 N 0.30 0.70 -0.23 4.72 5.08 -1.90 -1.42 114.58 121.83 1yx1 h GLU 52 Ca 0.07 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 57.91 1yx1 h GLU 52 Cb 0.17 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1yx1 h GLU 52 CO 0.00 0.99 -0.48 0.00 -1.00 0.00 0.00 179.01 178.52 1yx1 h ALA 53 N 0.70 0.72 0.01 3.43 0.00 -1.86 -1.63 119.26 120.63 1yx1 h ALA 53 Ca 0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1yx1 h ALA 53 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1yx1 h ALA 53 CO 0.07 0.67 -0.00 1.25 0.00 0.00 0.00 179.25 181.24 1yx1 h LEU 54 N 0.50 -0.01 -0.51 0.00 5.85 -1.10 0.44 115.31 120.48 1yx1 h LEU 54 Ca 0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1yx1 h LEU 54 Cb 1.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1yx1 h LEU 54 CO 0.10 0.08 0.29 0.74 -0.34 0.00 0.00 178.44 179.30 1yx1 h THR 55 N -0.09 1.17 -0.89 1.05 2.02 -1.24 -0.99 112.91 113.94 1yx1 h THR 55 Ca -0.00 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1yx1 h THR 55 Cb 0.09 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1yx1 h THR 55 CO 0.00 0.18 0.49 0.00 0.37 0.00 0.00 175.52 176.57 1yx1 h ALA 56 N 1.12 1.15 -0.52 6.16 0.00 -1.17 -1.29 119.26 124.71 1yx1 h ALA 56 Ca 0.18 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1yx1 h ALA 56 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1yx1 h ALA 56 CO -0.03 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.96 1yx1 h ALA 57 N 1.27 0.69 0.06 0.00 0.00 -0.49 -0.30 119.26 120.49 1yx1 h ALA 57 Ca 0.32 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1yx1 h ALA 57 Cb 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1yx1 h ALA 57 CO -0.05 0.42 -0.03 0.82 0.00 0.00 0.00 179.25 180.40 1yx1 h ILE 58 N 0.74 0.95 -0.99 0.00 2.04 -1.02 -2.74 117.51 116.49 1yx1 h ILE 58 Ca 0.16 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1yx1 h ILE 58 Cb 0.39 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1yx1 h ILE 58 CO 0.01 0.01 0.66 1.56 0.00 0.00 0.00 178.15 180.39 1yx1 h GLN 59 N -0.11 1.31 -0.95 2.37 4.20 -1.13 -2.46 115.11 118.34 1yx1 h GLN 59 Ca -0.01 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.68 1yx1 h GLN 59 Cb 0.09 -0.29 -0.06 0.00 0.30 0.00 0.00 27.48 27.51 1yx1 h GLN 59 CO 0.01 0.87 0.62 1.25 -0.67 0.00 0.00 178.83 180.91 1yx1 h LEU 60 N 1.35 0.98 -0.08 1.46 5.85 -0.98 -2.45 115.31 121.44 1yx1 h LEU 60 Ca 0.36 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1yx1 h LEU 60 Cb -0.15 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.67 1yx1 h LEU 60 CO -0.08 0.63 -0.22 0.00 -0.34 0.00 0.00 178.44 178.44 1yx1 n GLN 61 N -4.49 0.21 -1.43 1.25 1.13 -0.96 -4.91 117.38 108.18 1yx1 n GLN 61 Ca 0.14 -0.08 -0.07 0.00 -1.94 0.00 0.00 57.00 55.06 1yx1 n GLN 61 Cb 0.18 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.01 1yx1 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yx1 n GLY 62 N 1.43 0.69 3.89 1.08 0.00 -0.92 -4.87 105.19 106.50 1yx1 n GLY 62 Ca 0.09 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1yx1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx1 s LEU 63 N -1.64 4.03 0.55 0.99 1.43 -0.98 -4.98 118.68 118.09 1yx1 s LEU 63 Ca 0.00 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1yx1 s LEU 63 Cb 0.00 -3.68 0.03 0.00 0.03 0.00 0.00 46.19 42.58 1yx1 s LEU 63 CO 0.00 -0.21 0.78 -1.61 0.23 0.00 0.00 176.35 175.54 1yx1 s GLU 64 N -3.44 2.57 -0.06 1.70 2.02 -0.46 -4.66 118.70 116.37 1yx1 s GLU 64 Ca 0.46 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.70 1yx1 s GLU 64 Cb -0.11 -2.47 0.03 0.00 0.10 0.00 0.00 34.13 31.68 1yx1 s GLU 64 CO 0.28 -0.71 0.14 0.00 0.02 0.00 0.00 175.26 174.99 1yx1 s VAL 66 N 0.97 3.61 -0.29 0.00 1.01 -0.00 -0.30 120.40 125.40 1yx1 s VAL 66 Ca -0.07 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 1yx1 s VAL 66 Cb -0.10 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1yx1 s VAL 66 CO -0.05 0.54 0.15 0.12 0.00 0.00 0.00 175.10 175.86 1yx1 s PHE 67 N -0.05 3.17 -0.19 5.22 5.36 -0.16 -0.97 117.98 130.37 1yx1 s PHE 67 Ca -0.00 -0.34 -0.09 0.00 -0.96 0.00 0.00 56.93 55.55 1yx1 s PHE 67 Cb -0.13 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.16 1yx1 s PHE 67 CO 0.03 -0.35 0.09 0.45 -1.46 0.00 0.00 175.22 173.98 1yx1 s SER 68 N 1.66 5.91 0.02 6.13 0.15 0.41 -1.03 113.70 126.96 1yx1 s SER 68 Ca 0.06 0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.93 1yx1 s SER 68 Cb -0.16 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.11 1yx1 s SER 68 CO 0.07 0.19 -0.18 -0.55 1.20 0.00 0.00 173.24 173.96 1yx1 s SER 69 N 0.31 2.17 0.00 5.45 0.15 -0.35 -0.83 113.70 120.60 1yx1 s SER 69 Ca 0.06 -0.44 0.26 0.00 0.70 0.00 0.00 55.95 56.52 1yx1 s SER 69 Cb -0.12 -0.19 1.52 0.00 -1.71 0.00 0.00 66.02 65.52 1yx1 s SER 69 CO -0.01 0.15 1.89 -0.81 1.20 0.00 0.00 173.24 175.67 1yx1 n PRO 70 N 2.12 0.83 -1.56 5.44 -0.04 -1.26 -4.29 135.00 136.24 1yx1 n PRO 70 Ca -0.17 0.00 -0.51 0.00 -0.04 0.00 0.00 63.50 62.79 1yx1 n PRO 70 Cb 0.54 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1yx1 n PRO 70 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1yx1 n LEU 71 N -0.98 1.14 -4.68 1.53 0.00 -1.26 -4.63 117.00 108.12 1yx1 n LEU 71 Ca 0.19 1.14 -0.37 0.00 0.00 0.00 0.00 56.01 56.97 1yx1 n LEU 71 Cb 0.09 -1.15 -0.08 0.00 0.00 0.00 0.00 43.42 42.28 1yx1 n LEU 71 CO 0.14 -1.45 0.00 -1.61 0.00 0.00 0.00 177.39 174.47 1yx1 s GLU 72 N -0.20 4.17 0.16 1.96 2.02 -1.26 -1.05 118.70 124.50 1yx1 s GLU 72 Ca 0.77 0.06 -0.13 0.00 0.02 0.00 0.00 54.97 55.69 1yx1 s GLU 72 Cb -0.93 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 29.84 1yx1 s GLU 72 CO 0.52 0.06 1.73 1.25 0.02 0.00 0.00 175.26 178.84 1yx1 h LEU 73 N 7.36 0.71 -8.58 1.80 5.85 -0.72 -3.41 115.31 118.32 1yx1 h LEU 73 Ca -0.38 -0.14 -0.65 0.00 0.84 0.00 0.00 57.88 57.55 1yx1 h LEU 73 Cb 1.16 -0.18 -0.26 0.00 0.37 0.00 0.00 40.66 41.75 1yx1 h LEU 73 CO 0.71 0.66 -0.72 0.26 -0.34 0.00 0.00 178.44 179.01 1yx1 s TRP 74 N -5.65 2.94 0.62 1.25 0.52 -0.56 -0.34 118.94 117.72 1yx1 s TRP 74 Ca -0.13 -0.68 -0.12 0.00 0.02 0.00 0.00 56.10 55.19 1yx1 s TRP 74 Cb 0.12 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1yx1 s TRP 74 CO 0.77 -0.32 1.03 1.03 0.02 0.00 0.00 176.95 179.49 1yx1 s ARG 75 N 0.89 3.51 0.46 4.98 0.52 0.03 -2.25 118.95 127.10 1yx1 s ARG 75 Ca -0.01 0.85 0.26 0.00 -0.52 0.00 0.00 55.73 56.30 1yx1 s ARG 75 Cb -0.15 -2.07 1.30 0.00 0.52 0.00 0.00 34.95 34.55 1yx1 s ARG 75 CO 0.01 -0.64 1.79 0.93 0.02 0.00 0.00 175.30 177.41 1yx1 h GLU 76 N -0.17 0.21 -0.15 3.54 5.08 -1.87 0.63 114.58 121.85 1yx1 h GLU 76 Ca -0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1yx1 h GLU 76 Cb 1.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1yx1 h GLU 76 CO 0.61 0.14 0.00 -0.40 -1.00 0.00 0.00 179.01 178.36 1yx1 n ASP 77 N -4.44 0.93 0.00 1.42 5.75 -1.26 -4.88 116.55 114.07 1yx1 n ASP 77 Ca 0.25 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 1yx1 n ASP 77 Cb 1.01 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.01 1yx1 n ASP 77 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yx1 n GLY 78 N 0.85 0.92 3.87 6.12 0.00 0.21 -5.04 105.19 112.13 1yx1 n GLY 78 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1yx1 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yx1 s GLN 79 N -0.35 3.85 0.35 1.61 -1.52 -1.25 -4.81 119.66 117.53 1yx1 s GLN 79 Ca 0.00 0.35 -0.29 0.00 -1.95 0.00 0.00 55.36 53.47 1yx1 s GLN 79 Cb 0.00 -2.67 -0.11 0.00 -0.22 0.00 0.00 33.01 30.01 1yx1 s GLN 79 CO 0.00 0.33 1.48 -1.17 -0.25 0.00 0.00 175.29 175.68 1yx1 s LEU 80 N -2.69 4.34 0.01 2.90 2.96 -1.26 -0.79 118.68 124.15 1yx1 s LEU 80 Ca 0.46 2.96 -0.30 0.00 -0.22 0.00 0.00 54.13 57.03 1yx1 s LEU 80 Cb -0.12 -3.66 -0.09 0.00 0.50 0.00 0.00 46.19 42.83 1yx1 s LEU 80 CO 0.20 -0.82 1.99 -3.20 -1.32 0.00 0.00 176.35 173.20 1yx1 n ASN 81 N 0.93 4.06 0.19 3.68 2.85 0.53 -4.80 115.26 122.70 1yx1 n ASN 81 Ca 0.02 0.86 0.14 0.00 -0.11 0.00 0.00 54.58 55.49 1yx1 n ASN 81 Cb 0.39 -1.52 0.67 0.00 1.24 0.00 0.00 39.78 40.57 1yx1 n ASN 81 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1yx1 h PRO 82 N 10.80 0.00 0.00 1.20 0.13 -1.90 -1.09 132.00 141.14 1yx1 h PRO 82 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1yx1 h PRO 82 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1yx1 h PRO 82 CO 0.94 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.10 1yx1 n GLU 83 N -2.45 0.83 0.14 0.86 -0.58 -1.26 -4.05 120.64 114.12 1yx1 n GLU 83 Ca -0.01 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.60 1yx1 n GLU 83 Cb 0.11 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 1yx1 n GLU 83 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1yx1 h LEU 84 N 0.00 -0.25 0.04 -4.62 5.85 -1.57 -1.71 115.31 113.05 1yx1 h LEU 84 Ca 0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1yx1 h LEU 84 Cb 0.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1yx1 h LEU 84 CO 0.00 -0.07 -0.20 -0.08 -0.34 0.00 0.00 178.44 177.74 1yx1 h GLU 85 N -0.42 -0.33 -0.32 1.25 4.57 -1.80 0.19 114.58 117.72 1yx1 h GLU 85 Ca -0.03 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1yx1 h GLU 85 Cb 0.32 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 1yx1 h GLU 85 CO 0.05 -0.22 0.22 -1.00 -1.18 0.00 0.00 179.01 176.87 1yx1 h PRO 86 N -0.35 0.31 -0.25 0.92 0.13 -1.80 -1.33 132.00 129.64 1yx1 h PRO 86 Ca 0.05 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.98 1yx1 h PRO 86 Cb 0.40 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1yx1 h PRO 86 CO -0.16 0.20 -0.54 1.15 -0.23 0.00 0.00 178.00 178.43 1yx1 h THR 87 N 0.32 1.29 -0.69 1.56 2.02 -0.65 -0.57 112.91 116.19 1yx1 h THR 87 Ca 0.13 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.59 1yx1 h THR 87 Cb 0.14 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1yx1 h THR 87 CO -0.03 0.56 0.45 -0.07 0.37 0.00 0.00 175.52 176.80 1yx1 h LEU 88 N 0.55 0.77 -0.80 2.58 3.38 -0.19 -0.12 115.31 121.47 1yx1 h LEU 88 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1yx1 h LEU 88 Cb 1.15 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1yx1 h LEU 88 CO 0.12 0.55 0.13 0.03 0.09 0.00 0.00 178.44 179.36 1yx1 h ARG 89 N 0.91 1.04 -0.22 1.13 3.08 -1.12 -1.43 114.38 117.76 1yx1 h ARG 89 Ca 0.26 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1yx1 h ARG 89 Cb -0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1yx1 h ARG 89 CO -0.07 0.93 0.14 -0.09 -1.07 0.00 0.00 179.97 179.81 1yx1 h ARG 90 N 0.98 0.30 -0.02 0.04 2.43 -0.77 0.27 114.38 117.61 1yx1 h ARG 90 Ca 0.20 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1yx1 h ARG 90 Cb 0.38 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1yx1 h ARG 90 CO 0.01 0.23 -0.16 0.00 -1.51 0.00 0.00 179.97 178.54 1yx1 h ALA 91 N 1.05 -0.17 -0.97 2.80 0.00 -0.82 -1.61 119.26 119.54 1yx1 h ALA 91 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yx1 h ALA 91 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1yx1 h ALA 91 CO -0.02 -0.64 0.63 0.93 0.00 0.00 0.00 179.25 180.15 1yx1 h GLU 92 N -0.25 1.16 -0.08 0.00 5.08 -1.12 -0.99 114.58 118.39 1yx1 h GLU 92 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1yx1 h GLU 92 Cb 0.33 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1yx1 h GLU 92 CO -0.17 0.77 0.04 0.00 -1.00 0.00 0.00 179.01 178.65 1yx1 h ALA 93 N 1.41 1.93 -0.40 3.43 0.00 -0.32 -1.34 119.26 123.97 1yx1 h ALA 93 Ca 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1yx1 h ALA 93 Cb 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yx1 h ALA 93 CO -0.14 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.17 1yx1 n GLY 95 N 1.23 0.43 3.75 0.00 0.00 -0.51 -4.39 105.19 105.71 1yx1 n GLY 95 Ca 0.16 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 1yx1 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 s ALA 96 N -2.11 3.33 -1.43 4.61 0.00 -0.50 -4.51 121.76 121.15 1yx1 s ALA 96 Ca 0.00 0.56 0.26 0.00 0.00 0.00 0.00 51.96 52.78 1yx1 s ALA 96 Cb 0.00 -3.19 0.60 0.00 0.00 0.00 0.00 23.12 20.52 1yx1 s ALA 96 CO 0.00 0.14 1.47 0.41 0.00 0.00 0.00 175.76 177.78 1yx1 n GLY 97 N 1.77 -0.86 3.25 0.00 0.00 0.59 -4.55 105.19 105.38 1yx1 n GLY 97 Ca -0.01 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1yx1 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yx1 s TRP 98 N -2.72 -0.32 -0.13 1.61 0.51 -1.22 -1.36 118.94 115.31 1yx1 s TRP 98 Ca 0.18 0.70 0.02 0.00 -2.12 0.00 0.00 56.10 54.89 1yx1 s TRP 98 Cb 0.18 0.13 0.01 0.00 -0.81 0.00 0.00 33.47 32.98 1yx1 s TRP 98 CO 0.61 -0.28 -0.22 -1.17 -0.51 0.00 0.00 176.95 175.38 1yx1 s LEU 99 N -0.44 2.15 -0.17 2.99 2.96 -0.40 -0.99 118.68 124.79 1yx1 s LEU 99 Ca -0.06 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 1yx1 s LEU 99 Cb -0.04 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 1yx1 s LEU 99 CO 0.02 0.10 -0.05 -0.75 -1.32 0.00 0.00 176.35 174.35 1yx1 s LYS 100 N 0.73 3.54 0.38 1.98 2.20 -0.19 0.02 119.74 128.39 1yx1 s LYS 100 Ca -0.09 -0.58 0.04 0.00 -0.36 0.00 0.00 55.97 54.98 1yx1 s LYS 100 Cb -0.16 -2.91 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 1yx1 s LYS 100 CO 0.00 0.11 0.13 0.14 -0.36 0.00 0.00 175.35 175.36 1yx1 s VAL 101 N 0.70 0.63 0.38 4.02 -7.23 -0.12 -1.21 120.40 117.58 1yx1 s VAL 101 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1yx1 s VAL 101 Cb -0.15 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 1yx1 s VAL 101 CO 0.02 0.00 0.55 -0.44 -0.31 0.00 0.00 175.10 174.92 1yx1 s SER 102 N -3.55 5.94 0.05 4.85 0.01 -0.21 -1.00 113.70 119.80 1yx1 s SER 102 Ca 0.28 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.42 1yx1 s SER 102 Cb 0.04 -1.42 -0.17 0.00 0.21 0.00 0.00 66.02 64.67 1yx1 s SER 102 CO 0.15 -0.52 1.25 0.25 0.41 0.00 0.00 173.24 174.79 1yx1 h LEU 103 N 0.70 0.65 0.00 2.44 5.85 -1.83 0.27 115.31 123.38 1yx1 h LEU 103 Ca -0.46 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 57.63 1yx1 h LEU 103 Cb 1.25 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1yx1 h LEU 103 CO 0.55 1.17 0.00 0.61 -0.34 0.00 0.00 178.44 180.43 1yx1 n GLY 104 N 0.65 -1.03 3.51 3.75 0.00 -1.26 -1.50 105.19 109.32 1yx1 n GLY 104 Ca -0.08 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 1yx1 n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yx1 s LEU 105 N 0.00 4.63 -0.12 0.99 2.96 -0.95 -4.25 118.68 121.94 1yx1 s LEU 105 Ca 0.00 -0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 53.19 1yx1 s LEU 105 Cb 0.00 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.16 1yx1 s LEU 105 CO 0.00 -0.59 1.33 -0.22 -1.32 0.00 0.00 176.35 175.56 1yx1 s LEU 106 N 2.34 4.23 0.99 -0.68 2.96 -1.26 -4.53 118.68 122.72 1yx1 s LEU 106 Ca 0.16 1.84 -0.16 0.00 -0.22 0.00 0.00 54.13 55.75 1yx1 s LEU 106 Cb -0.16 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.19 1yx1 s LEU 106 CO 0.15 -0.76 1.29 -2.16 -1.32 0.00 0.00 176.35 173.54 1yx1 s PRO 107 N 3.32 0.45 0.13 0.98 0.04 -1.26 -4.99 135.00 133.67 1yx1 s PRO 107 Ca 0.59 -0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.18 1yx1 s PRO 107 Cb -0.25 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1yx1 s PRO 107 CO 0.19 -2.55 1.49 0.93 0.04 0.00 0.00 177.00 177.10 1yx1 h GLU 108 N -1.74 0.89 -2.46 4.56 4.39 -1.96 -3.36 114.58 114.89 1yx1 h GLU 108 Ca -0.45 -0.43 -0.60 0.00 0.34 0.00 0.00 59.36 58.23 1yx1 h GLU 108 Cb 1.25 -0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.49 1yx1 h GLU 108 CO 0.39 1.08 -0.79 1.04 -1.16 0.00 0.00 179.01 179.57 1yx1 n GLN 109 N -4.15 1.36 -2.14 2.33 6.02 -1.26 -5.11 117.38 114.43 1yx1 n GLN 109 Ca -0.02 -3.95 -0.36 0.00 -0.01 0.00 0.00 57.00 52.66 1yx1 n GLN 109 Cb 0.49 -1.91 0.01 0.00 1.02 0.00 0.00 30.24 29.85 1yx1 n GLN 109 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1yx1 s PRO 110 N -1.28 3.39 -1.21 -1.09 0.04 -1.26 -4.92 135.00 128.67 1yx1 s PRO 110 Ca 0.33 1.80 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1yx1 s PRO 110 Cb 0.07 -2.16 0.18 0.00 0.04 0.00 0.00 34.50 32.63 1yx1 s PRO 110 CO -0.13 -0.87 1.44 -3.47 0.04 0.00 0.00 177.00 174.02 1yx1 n ASP 111 N -1.04 5.26 0.18 6.66 -0.08 -1.26 -4.77 116.55 121.51 1yx1 n ASP 111 Ca 0.10 -3.00 0.04 0.00 -1.51 0.00 0.00 54.79 50.43 1yx1 n ASP 111 Cb 0.49 -1.54 0.34 0.00 2.34 0.00 0.00 41.12 42.75 1yx1 n ASP 111 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1yx1 h LEU 112 N 9.21 0.00 -0.55 -2.67 3.38 -1.97 -2.66 115.31 120.05 1yx1 h LEU 112 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 1yx1 h LEU 112 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1yx1 h LEU 112 CO 1.25 0.40 0.31 0.00 0.09 0.00 0.00 178.44 180.49 1yx1 h ALA 113 N 1.60 0.71 -0.56 1.53 0.00 -1.95 -0.78 119.26 119.80 1yx1 h ALA 113 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1yx1 h ALA 113 Cb 0.84 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yx1 h ALA 113 CO 0.05 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.67 1yx1 h ALA 114 N 1.14 0.74 -0.37 0.00 0.00 -1.92 -1.24 119.26 117.61 1yx1 h ALA 114 Ca 0.19 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yx1 h ALA 114 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1yx1 h ALA 114 CO -0.03 0.44 0.19 1.25 0.00 0.00 0.00 179.25 181.10 1yx1 h LEU 115 N 0.80 0.29 -0.75 0.00 5.85 -1.19 -1.29 115.31 119.01 1yx1 h LEU 115 Ca 0.18 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1yx1 h LEU 115 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1yx1 h LEU 115 CO 0.00 0.21 0.47 1.23 -0.34 0.00 0.00 178.44 180.01 1yx1 h GLY 116 N 0.39 1.08 1.46 3.75 0.00 -0.86 0.12 103.07 109.01 1yx1 h GLY 116 Ca 0.15 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1yx1 h GLY 116 CO -0.10 0.42 -0.02 3.21 0.00 0.00 0.00 176.54 180.06 1yx1 h ARG 117 N 1.02 0.67 -0.32 4.80 3.08 -0.79 -0.43 114.38 122.41 1yx1 h ARG 117 Ca 0.27 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1yx1 h ARG 117 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1yx1 h ARG 117 CO -0.05 0.70 0.00 -0.09 -1.07 0.00 0.00 179.97 179.46 1yx1 h ARG 118 N 0.63 0.56 -0.01 0.04 2.43 -0.49 -3.17 114.38 114.37 1yx1 h ARG 118 Ca 0.13 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1yx1 h ARG 118 Cb 0.42 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1yx1 h ARG 118 CO 0.02 0.69 -0.54 -0.07 -1.51 0.00 0.00 179.97 178.56 1yx1 h LEU 119 N 0.36 0.02 -1.50 3.80 3.38 -0.46 -2.87 115.31 118.03 1yx1 h LEU 119 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yx1 h LEU 119 Cb 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1yx1 h LEU 119 CO 0.02 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1yx1 h ALA 120 N 1.45 1.00 0.00 1.53 0.00 -1.05 -1.91 119.26 120.28 1yx1 h ALA 120 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yx1 h ALA 120 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1yx1 h ALA 120 CO 0.07 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1yx1 n ARG 121 N -2.53 0.30 -5.05 0.00 1.74 -1.08 -4.87 116.66 105.17 1yx1 n ARG 121 Ca -0.00 0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1yx1 n ARG 121 Cb 0.14 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.93 1yx1 n ARG 121 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yx1 s HIS 122 N -2.69 2.05 0.06 -1.55 3.76 -0.72 -5.04 115.29 111.16 1yx1 s HIS 122 Ca 0.24 -0.39 0.15 0.00 -0.15 0.00 0.00 55.06 54.91 1yx1 s HIS 122 Cb 0.19 -1.30 0.30 0.00 1.11 0.00 0.00 32.58 32.89 1yx1 s HIS 122 CO 0.47 -0.00 1.55 0.78 -0.85 0.00 0.00 174.74 176.69 1yx1 h GLY 123 N 5.40 0.00 -1.10 -2.22 0.00 -1.89 -3.46 103.07 99.80 1yx1 h GLY 123 Ca -0.42 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.42 1yx1 h GLY 123 CO 0.47 0.00 0.33 0.48 0.00 0.00 0.00 176.54 177.82 1yx1 s LEU 124 N -6.86 2.64 -0.07 3.11 0.05 -1.26 -5.00 118.68 111.29 1yx1 s LEU 124 Ca 0.01 1.37 -0.01 0.00 0.05 0.00 0.00 54.13 55.55 1yx1 s LEU 124 Cb 0.10 -4.00 -0.03 0.00 -2.05 0.00 0.00 46.19 40.20 1yx1 s LEU 124 CO 0.73 -1.96 -0.01 -1.58 -0.55 0.00 0.00 176.35 172.98 1yx1 s GLN 125 N -5.12 2.92 0.04 1.48 0.74 -0.46 -4.92 119.66 114.34 1yx1 s GLN 125 Ca 0.61 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.26 1yx1 s GLN 125 Cb -0.15 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.17 1yx1 s GLN 125 CO 0.55 0.69 1.10 -1.17 -0.55 0.00 0.00 175.29 175.90 1yx1 s LEU 126 N -0.97 4.37 -0.06 3.68 2.96 -1.26 -1.27 118.68 126.13 1yx1 s LEU 126 Ca 0.14 1.86 0.04 0.00 -0.22 0.00 0.00 54.13 55.95 1yx1 s LEU 126 Cb -0.11 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1yx1 s LEU 126 CO 0.03 -0.37 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.76 1yx1 s LEU 127 N 1.00 2.56 -0.19 -0.68 1.43 0.10 -1.93 118.68 120.98 1yx1 s LEU 127 Ca 0.56 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.34 1yx1 s LEU 127 Cb -0.26 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1yx1 s LEU 127 CO 0.29 0.30 -0.07 -0.69 0.23 0.00 0.00 176.35 176.40 1yx1 s VAL 128 N -0.45 3.28 -0.04 -1.59 1.01 -0.46 -0.94 120.40 121.20 1yx1 s VAL 128 Ca 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1yx1 s VAL 128 Cb -0.12 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1yx1 s VAL 128 CO 0.02 0.46 0.17 -0.70 0.00 0.00 0.00 175.10 175.05 1yx1 s GLU 129 N 1.06 3.44 0.01 2.72 2.12 -0.17 -1.37 118.70 126.51 1yx1 s GLU 129 Ca 0.00 -0.26 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 1yx1 s GLU 129 Cb -0.15 -3.12 -0.07 0.00 0.26 0.00 0.00 34.13 31.06 1yx1 s GLU 129 CO -0.01 0.70 1.57 0.54 -0.54 0.00 0.00 175.26 177.52 1yx1 s ASN 130 N -1.68 6.70 0.02 -1.70 4.22 -1.18 -4.40 114.94 116.93 1yx1 s ASN 130 Ca 0.24 2.29 0.00 0.00 -2.14 0.00 0.00 52.86 53.25 1yx1 s ASN 130 Cb -0.12 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.85 1yx1 s ASN 130 CO 0.15 -0.84 0.00 -0.90 -2.04 0.00 0.00 177.10 173.46 1yx1 n ASP 131 N 5.94 0.00 -1.23 3.54 5.68 -0.60 -4.65 116.55 125.23 1yx1 n ASP 131 Ca 0.15 -0.23 0.12 0.00 -0.50 0.00 0.00 54.79 54.33 1yx1 n ASP 131 Cb 0.42 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.65 1yx1 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yx1 n GLN 132 N -0.23 2.59 -3.35 0.11 6.02 -1.26 -3.98 117.38 117.28 1yx1 n GLN 132 Ca 0.00 -2.42 -0.24 0.00 -0.01 0.00 0.00 57.00 54.33 1yx1 n GLN 132 Cb 0.00 -1.54 -0.01 0.00 1.02 0.00 0.00 30.24 29.71 1yx1 n GLN 132 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1yx1 s THR 133 N -1.35 5.03 0.27 5.09 -4.23 -1.26 -4.53 115.64 114.65 1yx1 s THR 133 Ca 0.42 -0.46 -0.02 0.00 -1.18 0.00 0.00 61.69 60.45 1yx1 s THR 133 Cb 0.24 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.40 1yx1 s THR 133 CO 0.33 -0.55 1.82 -0.65 -0.54 0.00 0.00 174.62 175.03 1yx1 h PRO 134 N 0.72 0.89 -0.02 3.99 0.11 -1.93 0.13 132.00 135.89 1yx1 h PRO 134 Ca -0.49 -0.17 -0.15 0.00 0.11 0.00 0.00 66.00 65.30 1yx1 h PRO 134 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1yx1 h PRO 134 CO 0.61 0.78 -0.66 -0.56 -0.21 0.00 0.00 178.00 177.96 1yx1 h GLN 135 N 0.86 0.10 0.00 1.05 -0.00 -1.96 -3.36 115.11 111.80 1yx1 h GLN 135 Ca 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 1yx1 h GLN 135 Cb 0.27 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1yx1 h GLN 135 CO -0.01 0.72 0.00 0.41 -0.00 0.00 0.00 178.83 179.95 1yx1 n GLY 136 N 0.37 -0.34 0.03 0.06 0.00 -1.19 -4.70 105.19 99.41 1yx1 n GLY 136 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 1yx1 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yx1 n GLY 137 N -0.13 1.35 3.55 -0.02 0.00 0.46 -1.55 105.19 108.84 1yx1 n GLY 137 Ca 0.00 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1yx1 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yx1 s ARG 138 N -0.84 2.66 0.16 1.61 0.52 -1.26 -4.75 118.95 117.05 1yx1 s ARG 138 Ca 0.03 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 1yx1 s ARG 138 Cb 0.03 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 33.03 1yx1 s ARG 138 CO 0.00 0.65 1.81 0.82 0.02 0.00 0.00 175.30 178.60 1yx1 h ILE 139 N 4.25 1.06 -0.23 1.52 2.04 -1.96 -2.91 117.51 121.28 1yx1 h ILE 139 Ca -0.48 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1yx1 h ILE 139 Cb 1.17 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1yx1 h ILE 139 CO 0.52 0.10 0.05 -0.08 0.00 0.00 0.00 178.15 178.73 1yx1 h GLU 140 N 0.53 0.14 -0.20 2.37 4.81 -1.99 0.66 114.58 120.89 1yx1 h GLU 140 Ca 0.17 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 1yx1 h GLU 140 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1yx1 h GLU 140 CO -0.07 0.09 -0.41 -0.24 -0.73 0.00 0.00 179.01 177.65 1yx1 h VAL 141 N 0.14 1.31 -0.36 0.32 3.04 -1.93 -1.89 116.25 116.89 1yx1 h VAL 141 Ca 0.10 -1.58 -0.14 0.00 -1.01 0.00 0.00 66.70 64.08 1yx1 h VAL 141 Cb 0.10 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1yx1 h VAL 141 CO -0.14 0.49 -0.33 -0.07 -1.01 0.00 0.00 177.57 176.51 1yx1 h LEU 142 N 0.39 0.84 -0.96 3.16 3.38 -1.18 -0.77 115.31 120.18 1yx1 h LEU 142 Ca 0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1yx1 h LEU 142 Cb 0.89 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1yx1 h LEU 142 CO 0.08 1.09 0.50 -0.08 0.09 0.00 0.00 178.44 180.13 1yx1 h GLU 143 N 0.67 1.23 -0.42 1.13 4.81 -0.76 -0.43 114.58 120.82 1yx1 h GLU 143 Ca 0.07 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1yx1 h GLU 143 Cb 0.88 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1yx1 h GLU 143 CO 0.08 0.89 0.12 -0.09 -0.73 0.00 0.00 179.01 179.28 1yx1 h ARG 144 N 1.24 0.65 0.06 1.92 2.43 -0.95 -1.32 114.38 118.41 1yx1 h ARG 144 Ca 0.32 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1yx1 h ARG 144 Cb -0.00 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1yx1 h ARG 144 CO -0.05 0.65 -0.06 0.35 -1.51 0.00 0.00 179.97 179.35 1yx1 h PHE 145 N 0.53 -0.15 -0.09 2.20 3.57 -0.80 -1.40 116.94 120.79 1yx1 h PHE 145 Ca 0.13 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1yx1 h PHE 145 Cb 0.28 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1yx1 h PHE 145 CO 0.01 -0.10 -0.50 0.74 -2.23 0.00 0.00 178.31 176.24 1yx1 h PHE 146 N -0.14 0.30 -0.68 0.41 0.04 -1.02 -0.65 116.94 115.20 1yx1 h PHE 146 Ca 0.01 -0.10 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 1yx1 h PHE 146 Cb 0.13 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1yx1 h PHE 146 CO -0.10 0.70 0.21 0.00 -0.60 0.00 0.00 178.31 178.51 1yx1 h ARG 147 N 0.19 1.06 -0.43 1.51 3.08 -1.09 -0.82 114.38 117.88 1yx1 h ARG 147 Ca 0.01 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.73 1yx1 h ARG 147 Cb 0.95 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1yx1 h ARG 147 CO 0.08 0.92 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.74 1yx1 h LEU 148 N 0.99 0.82 -0.59 3.04 3.38 -0.95 -1.85 115.31 120.16 1yx1 h LEU 148 Ca 0.22 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1yx1 h LEU 148 Cb 0.31 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1yx1 h LEU 148 CO -0.01 0.99 0.34 0.00 0.09 0.00 0.00 178.44 179.85 1yx1 h ALA 149 N 0.87 0.76 -0.66 1.53 0.00 -0.99 -1.62 119.26 119.15 1yx1 h ALA 149 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yx1 h ALA 149 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1yx1 h ALA 149 CO 0.04 0.25 0.33 1.49 0.00 0.00 0.00 179.25 181.36 1yx1 h GLU 150 N 0.80 0.93 -0.54 0.00 4.81 -1.08 -1.09 114.58 118.41 1yx1 h GLU 150 Ca 0.21 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1yx1 h GLU 150 Cb 0.01 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1yx1 h GLU 150 CO -0.04 0.73 0.21 0.00 -0.73 0.00 0.00 179.01 179.18 1yx1 h ARG 151 N 0.90 0.78 -0.00 1.92 3.08 -1.01 -1.31 114.38 118.75 1yx1 h ARG 151 Ca 0.23 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1yx1 h ARG 151 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1yx1 h ARG 151 CO -0.03 0.65 -0.02 0.94 -1.07 0.00 0.00 179.97 180.44 1yx1 n GLN 152 N -4.33 0.56 -3.34 0.04 -0.06 -0.64 -4.94 117.38 104.67 1yx1 n GLN 152 Ca 0.04 -0.05 -0.18 0.00 -2.00 0.00 0.00 57.00 54.81 1yx1 n GLN 152 Cb 0.17 -1.50 0.07 0.00 -4.06 0.00 0.00 30.24 24.92 1yx1 n GLN 152 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1yx1 n GLN 153 N -1.18 -6.27 -2.93 3.69 6.02 -0.49 -5.00 117.38 111.21 1yx1 n GLN 153 Ca 0.16 0.68 -0.40 0.00 -0.01 0.00 0.00 57.00 57.43 1yx1 n GLN 153 Cb 0.23 -5.27 -0.06 0.00 1.02 0.00 0.00 30.24 26.16 1yx1 n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1yx1 s LEU 154 N -6.02 4.60 -1.20 1.08 1.43 -0.57 -4.99 118.68 113.01 1yx1 s LEU 154 Ca 0.36 1.71 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1yx1 s LEU 154 Cb -0.16 -3.37 0.21 0.00 0.03 0.00 0.00 46.19 42.91 1yx1 s LEU 154 CO 0.60 0.19 1.56 -0.67 0.23 0.00 0.00 176.35 178.26 1yx1 n ASP 155 N 1.61 5.46 -4.51 2.29 2.03 -1.26 -4.76 116.55 117.41 1yx1 n ASP 155 Ca -0.05 -3.12 -0.24 0.00 0.52 0.00 0.00 54.79 51.90 1yx1 n ASP 155 Cb 0.48 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.33 1yx1 n ASP 155 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1yx1 s LEU 156 N -0.36 2.63 0.00 -2.67 0.05 -1.26 -4.52 118.68 112.55 1yx1 s LEU 156 Ca 0.38 -1.25 0.00 0.00 0.05 0.00 0.00 54.13 53.31 1yx1 s LEU 156 Cb 0.02 -0.80 0.00 0.00 -2.05 0.00 0.00 46.19 43.36 1yx1 s LEU 156 CO 0.01 -0.34 0.00 0.00 -0.55 0.00 0.00 176.35 175.47 1yx1 n ALA 157 N -0.75 0.00 -3.62 1.48 0.00 -0.81 -5.04 120.51 111.77 1yx1 n ALA 157 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1yx1 n ALA 157 Cb 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.94 1yx1 n ALA 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yx1 s THR 159 N 2.85 -0.23 -0.52 0.00 2.01 -0.47 -1.36 115.64 117.91 1yx1 s THR 159 Ca 0.00 0.19 -0.20 0.00 0.31 0.00 0.00 61.69 61.99 1yx1 s THR 159 Cb 0.00 -0.40 0.06 0.00 0.01 0.00 0.00 72.50 72.17 1yx1 s THR 159 CO 0.00 0.01 0.70 0.12 -0.69 0.00 0.00 174.62 174.77 1yx1 s PHE 160 N 2.26 2.98 -0.41 4.92 5.36 0.45 -3.07 117.98 130.47 1yx1 s PHE 160 Ca 0.04 -0.45 -0.21 0.00 -0.96 0.00 0.00 56.93 55.35 1yx1 s PHE 160 Cb -0.13 -3.69 0.02 0.00 -0.34 0.00 0.00 43.02 38.87 1yx1 s PHE 160 CO -0.07 -1.13 0.66 0.34 -1.46 0.00 0.00 175.22 173.56 1yx1 s ASP 161 N 2.79 6.38 0.29 6.13 -1.08 -1.26 -0.12 116.67 129.80 1yx1 s ASP 161 Ca 0.18 -0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.07 1yx1 s ASP 161 Cb -0.18 -2.33 0.42 0.00 -1.46 0.00 0.00 42.92 39.37 1yx1 s ASP 161 CO 0.13 -0.73 1.96 0.40 0.52 0.00 0.00 175.17 177.45 1yx1 h ILE 162 N 5.81 1.22 0.01 4.11 2.04 -1.45 -3.10 117.51 126.15 1yx1 h ILE 162 Ca -0.26 -0.42 -0.26 0.00 1.00 0.00 0.00 64.86 64.92 1yx1 h ILE 162 Cb 1.10 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1yx1 h ILE 162 CO 0.88 0.21 -1.43 1.23 0.00 0.00 0.00 178.15 179.05 1yx1 h GLY 163 N 1.13 0.02 1.92 5.37 0.00 -1.78 -3.37 103.07 106.36 1yx1 h GLY 163 Ca 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1yx1 h GLY 163 CO -0.06 0.04 0.05 3.43 0.00 0.00 0.00 176.54 180.00 1yx1 h ASN 164 N 0.00 0.09 -0.74 0.19 2.35 -1.86 -1.61 115.58 114.00 1yx1 h ASN 164 Ca -0.18 -0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.75 1yx1 h ASN 164 Cb 1.92 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 40.22 1yx1 h ASN 164 CO 0.10 0.07 0.51 -0.50 -1.65 0.00 0.00 177.43 175.96 1yx1 h TRP 165 N 0.11 0.29 -0.91 1.19 4.06 -1.73 -2.22 115.95 116.75 1yx1 h TRP 165 Ca 0.03 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.07 1yx1 h TRP 165 Cb -0.01 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.00 1yx1 h TRP 165 CO 0.00 0.10 0.59 0.00 -3.56 0.00 0.00 178.44 175.57 1yx1 h ARG 166 N 0.24 0.95 0.00 0.49 2.47 -1.45 -1.16 114.38 115.93 1yx1 h ARG 166 Ca 0.37 -0.06 -0.03 0.00 -1.26 0.00 0.00 59.98 59.00 1yx1 h ARG 166 Cb 1.08 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1yx1 h ARG 166 CO -0.08 0.63 -0.15 -1.49 0.56 0.00 0.00 179.97 179.44 1yx1 h TRP 167 N 0.98 0.00 -0.51 3.04 6.55 -1.58 -1.82 115.95 122.61 1yx1 h TRP 167 Ca 0.40 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.24 1yx1 h TRP 167 Cb 0.28 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1yx1 h TRP 167 CO -0.00 0.15 0.00 1.04 -1.05 0.00 0.00 178.44 178.57 1yx1 n GLN 168 N -3.66 3.48 -3.99 0.49 1.13 -0.72 -4.97 117.38 109.14 1yx1 n GLN 168 Ca -0.02 -2.74 -0.27 0.00 -1.94 0.00 0.00 57.00 52.03 1yx1 n GLN 168 Cb 0.27 -1.79 -0.02 0.00 0.11 0.00 0.00 30.24 28.81 1yx1 n GLN 168 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1yx1 n GLU 169 N 0.66 -3.33 -4.64 -1.09 1.02 -0.68 -4.99 120.64 107.59 1yx1 n GLU 169 Ca 0.22 0.40 -0.34 0.00 -0.02 0.00 0.00 57.16 57.43 1yx1 n GLU 169 Cb 0.82 -4.63 -0.11 0.00 -0.02 0.00 0.00 31.44 27.50 1yx1 n GLU 169 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1yx1 s GLN 170 N -6.62 2.72 -0.12 3.49 -1.52 -0.52 -5.03 119.66 112.07 1yx1 s GLN 170 Ca 0.13 -0.57 -0.30 0.00 -1.95 0.00 0.00 55.36 52.67 1yx1 s GLN 170 Cb -0.07 -2.57 -0.01 0.00 -0.22 0.00 0.00 33.01 30.14 1yx1 s GLN 170 CO 0.89 0.66 1.08 0.00 -0.25 0.00 0.00 175.29 177.67 1yx1 s ALA 171 N -0.81 3.49 0.29 6.09 0.00 -1.26 -4.15 121.76 125.41 1yx1 s ALA 171 Ca 0.13 0.41 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1yx1 s ALA 171 Cb -0.11 -3.49 0.45 0.00 0.00 0.00 0.00 23.12 19.97 1yx1 s ALA 171 CO 0.02 -0.76 1.95 0.00 0.00 0.00 0.00 175.76 176.97 1yx1 h ALA 172 N 7.32 1.42 -0.53 0.00 0.00 -1.94 -1.13 119.26 124.40 1yx1 h ALA 172 Ca -0.29 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1yx1 h ALA 172 Cb 1.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1yx1 h ALA 172 CO 0.89 0.51 0.27 -0.44 0.00 0.00 0.00 179.25 180.48 1yx1 h ASP 173 N 1.12 0.69 -0.51 0.00 5.19 -1.97 0.17 116.42 121.11 1yx1 h ASP 173 Ca 0.33 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1yx1 h ASP 173 Cb -0.05 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1yx1 h ASP 173 CO -0.09 0.62 0.23 -0.08 -3.12 0.00 0.00 179.24 176.80 1yx1 h GLU 174 N 0.71 0.74 -0.83 3.56 4.81 -1.91 -0.92 114.58 120.75 1yx1 h GLU 174 Ca 0.18 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1yx1 h GLU 174 Cb 0.10 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1yx1 h GLU 174 CO -0.02 0.63 0.52 0.00 -0.73 0.00 0.00 179.01 179.41 1yx1 h ALA 175 N 1.07 1.11 -0.30 2.92 0.00 -1.00 -1.65 119.26 121.42 1yx1 h ALA 175 Ca 0.17 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1yx1 h ALA 175 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1yx1 h ALA 175 CO -0.02 0.30 -0.39 0.00 0.00 0.00 0.00 179.25 179.14 1yx1 h ALA 176 N 1.37 0.76 -0.24 0.00 0.00 -0.31 0.46 119.26 121.29 1yx1 h ALA 176 Ca 0.35 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1yx1 h ALA 176 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1yx1 h ALA 176 CO -0.14 0.66 0.06 -0.07 0.00 0.00 0.00 179.25 179.75 1yx1 h LEU 177 N 0.58 0.36 0.00 0.00 3.38 -0.90 -0.09 115.31 118.63 1yx1 h LEU 177 Ca 0.05 -0.22 -0.20 0.00 0.09 0.00 0.00 57.88 57.60 1yx1 h LEU 177 Cb 0.92 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1yx1 h LEU 177 CO 0.08 0.49 -1.00 0.03 0.09 0.00 0.00 178.44 178.13 1yx1 h ARG 178 N 0.21 0.00 -0.00 1.13 3.08 -1.19 -3.36 114.38 114.24 1yx1 h ARG 178 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1yx1 h ARG 178 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1yx1 h ARG 178 CO -0.00 0.87 -0.23 1.28 -1.07 0.00 0.00 179.97 180.82 1yx1 n LEU 179 N -3.29 0.91 -0.26 3.04 4.77 0.14 -4.77 117.00 117.53 1yx1 n LEU 179 Ca -0.01 -0.69 0.11 0.00 -0.03 0.00 0.00 56.01 55.39 1yx1 n LEU 179 Cb 0.92 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 42.38 1yx1 n LEU 179 CO 0.46 0.19 1.22 1.23 -1.33 0.00 0.00 177.39 179.16 1yx1 h GLY 180 N 1.84 1.19 2.00 -0.72 0.00 -1.12 -0.74 103.07 105.52 1yx1 h GLY 180 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1yx1 h GLY 180 CO 0.00 0.10 0.00 0.07 0.00 0.00 0.00 176.54 176.71 1yx1 h ARG 181 N 0.70 0.00 -0.01 4.80 0.11 -1.83 -2.52 114.38 115.63 1yx1 h ARG 181 Ca 0.44 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.52 1yx1 h ARG 181 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1yx1 h ARG 181 CO -0.20 0.00 -0.39 0.66 0.10 0.00 0.00 179.97 180.14 1yx1 n TYR 182 N -2.97 0.00 -2.81 4.08 4.01 -0.28 -4.93 117.16 114.26 1yx1 n TYR 182 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1yx1 n TYR 182 Cb 0.12 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1yx1 n TYR 182 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1yx1 s VAL 183 N -2.52 4.87 -0.29 -0.72 1.01 -0.95 -4.63 120.40 117.18 1yx1 s VAL 183 Ca 0.21 1.84 0.03 0.00 0.00 0.00 0.00 61.98 64.05 1yx1 s VAL 183 Cb 0.19 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.36 1yx1 s VAL 183 CO 0.56 0.08 0.50 0.61 0.00 0.00 0.00 175.10 176.86 1yx1 n GLY 184 N 3.15 -0.90 3.64 4.51 0.00 -1.26 -4.44 105.19 109.88 1yx1 n GLY 184 Ca 0.05 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1yx1 n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yx1 s TYR 185 N -0.38 -0.67 -0.11 1.61 5.04 -1.26 -4.27 117.35 117.31 1yx1 s TYR 185 Ca 0.03 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.26 1yx1 s TYR 185 Cb 0.02 0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.68 1yx1 s TYR 185 CO 0.04 -0.32 -0.23 0.08 -1.34 0.00 0.00 175.55 173.78 1yx1 s VAL 186 N 0.48 2.11 -0.32 3.14 1.01 -0.52 -0.42 120.40 125.88 1yx1 s VAL 186 Ca -0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 1yx1 s VAL 186 Cb -0.05 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1yx1 s VAL 186 CO -0.05 0.56 0.30 -1.00 0.00 0.00 0.00 175.10 174.91 1yx1 s HIS 187 N 0.46 3.22 -0.22 5.22 3.76 0.83 -0.28 115.29 128.29 1yx1 s HIS 187 Ca -0.16 0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.68 1yx1 s HIS 187 Cb -0.17 -2.55 -0.05 0.00 1.11 0.00 0.00 32.58 30.92 1yx1 s HIS 187 CO 0.06 -0.33 0.24 0.00 -0.85 0.00 0.00 174.74 173.87 1yx1 s LYS 189 N 1.02 0.93 0.31 0.00 -2.85 -1.26 -1.50 119.74 116.38 1yx1 s LYS 189 Ca 0.12 0.38 -0.08 0.00 -1.00 0.00 0.00 55.97 55.39 1yx1 s LYS 189 Cb -0.14 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1yx1 s LYS 189 CO 0.05 -0.25 0.62 0.00 0.10 0.00 0.00 175.35 175.87 1yx1 s ALA 190 N -0.78 3.52 -0.06 0.59 0.00 -0.78 -4.06 121.76 120.20 1yx1 s ALA 190 Ca -0.08 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1yx1 s ALA 190 Cb -0.02 -2.46 0.01 0.00 0.00 0.00 0.00 23.12 20.66 1yx1 s ALA 190 CO 0.07 0.24 -0.10 0.08 0.00 0.00 0.00 175.76 176.04 1yx1 s VAL 191 N -2.10 0.97 0.20 0.00 1.01 -1.26 -0.70 120.40 118.52 1yx1 s VAL 191 Ca 0.47 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.14 1yx1 s VAL 191 Cb -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1yx1 s VAL 191 CO 0.28 0.32 -0.15 0.27 0.00 0.00 0.00 175.10 175.81 1yx1 s ILE 192 N 0.66 1.76 -0.10 2.22 -4.36 -0.60 -4.95 121.20 115.84 1yx1 s ILE 192 Ca -0.13 -2.14 -0.28 0.00 -0.26 0.00 0.00 60.65 57.84 1yx1 s ILE 192 Cb -0.15 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 1yx1 s ILE 192 CO 0.03 -0.53 0.93 -0.13 0.24 0.00 0.00 174.94 175.48 1yx1 s ARG 193 N -3.43 4.41 0.76 0.37 0.52 -1.26 -0.42 118.95 119.90 1yx1 s ARG 193 Ca 0.21 1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 56.54 1yx1 s ARG 193 Cb -0.02 -3.53 0.19 0.00 0.52 0.00 0.00 34.95 32.11 1yx1 s ARG 193 CO 0.07 -0.24 0.76 0.27 0.02 0.00 0.00 175.30 176.18 1yx1 n ASN 194 N 4.78 -1.23 0.23 0.23 0.23 0.16 -4.82 115.26 114.84 1yx1 n ASN 194 Ca 0.06 -1.04 0.06 0.00 -0.53 0.00 0.00 54.58 53.13 1yx1 n ASN 194 Cb 0.49 -0.66 0.53 0.00 -2.08 0.00 0.00 39.78 38.05 1yx1 n ASN 194 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1yx1 h ARG 195 N 0.00 0.00 -0.00 -3.83 3.08 -1.98 -0.09 114.38 111.56 1yx1 h ARG 195 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1yx1 h ARG 195 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1yx1 h ARG 195 CO 0.18 0.19 -0.00 -0.25 -1.07 0.00 0.00 179.97 179.02 1yx1 n ASP 196 N -4.20 0.01 0.00 7.04 8.00 -1.26 -4.92 116.55 121.21 1yx1 n ASP 196 Ca -0.02 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1yx1 n ASP 196 Cb 0.26 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1yx1 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yx1 n GLY 197 N 1.25 0.67 3.80 0.44 0.00 -0.05 -5.06 105.19 106.25 1yx1 n GLY 197 Ca 0.15 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1yx1 n GLY 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx1 s LYS 198 N -0.50 4.09 0.16 1.61 2.20 -1.26 -4.69 119.74 121.34 1yx1 s LYS 198 Ca 0.00 0.48 -0.31 0.00 -0.36 0.00 0.00 55.97 55.78 1yx1 s LYS 198 Cb 0.00 -3.28 -0.08 0.00 -1.51 0.00 0.00 37.83 32.95 1yx1 s LYS 198 CO 0.00 0.54 1.36 -0.51 -0.36 0.00 0.00 175.35 176.38 1yx1 s LEU 199 N -0.62 4.39 -0.00 5.43 1.43 -1.26 -0.67 118.68 127.38 1yx1 s LEU 199 Ca 0.25 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 1yx1 s LEU 199 Cb -0.17 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1yx1 s LEU 199 CO 0.13 -0.60 -0.00 0.54 0.23 0.00 0.00 176.35 176.65 1yx1 s VAL 200 N 0.57 0.01 0.09 -1.59 0.11 0.44 -4.93 120.40 115.10 1yx1 s VAL 200 Ca 0.61 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.39 1yx1 s VAL 200 Cb -0.37 -0.02 -0.06 0.00 -1.53 0.00 0.00 36.38 34.39 1yx1 s VAL 200 CO 0.35 0.01 0.86 0.00 -3.33 0.00 0.00 175.10 172.99 1yx1 s ALA 201 N 0.05 3.32 0.06 1.54 0.00 -1.26 -1.56 121.76 123.91 1yx1 s ALA 201 Ca -0.00 0.43 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1yx1 s ALA 201 Cb -0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1yx1 s ALA 201 CO -0.00 0.05 0.01 0.14 0.00 0.00 0.00 175.76 175.96 1yx1 s VAL 202 N -0.19 0.21 0.78 0.00 -7.23 0.12 -4.70 120.40 109.38 1yx1 s VAL 202 Ca 0.42 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.77 1yx1 s VAL 202 Cb -0.22 -1.46 0.07 0.00 0.56 0.00 0.00 36.38 35.32 1yx1 s VAL 202 CO 0.27 -0.93 1.17 -2.84 -0.31 0.00 0.00 175.10 172.45 1yx1 s PRO 203 N -3.85 1.93 0.38 4.82 0.02 -1.26 -1.87 135.00 135.16 1yx1 s PRO 203 Ca 0.06 1.59 -0.25 0.00 0.02 0.00 0.00 61.00 62.43 1yx1 s PRO 203 Cb 0.07 -1.83 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 1yx1 s PRO 203 CO -0.10 -1.96 1.03 -1.25 -0.33 0.00 0.00 177.00 174.39 1yx1 s PRO 204 N -4.24 4.29 0.79 5.54 0.04 -1.26 -4.70 135.00 135.45 1yx1 s PRO 204 Ca 0.70 1.48 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1yx1 s PRO 204 Cb -0.25 -2.63 0.07 0.00 0.04 0.00 0.00 34.50 31.73 1yx1 s PRO 204 CO 0.49 -0.02 1.15 -1.54 0.04 0.00 0.00 177.00 177.12 1yx1 s SER 205 N -1.55 4.65 0.41 6.66 1.04 -1.26 -4.90 113.70 118.74 1yx1 s SER 205 Ca 0.55 0.90 0.11 0.00 0.48 0.00 0.00 55.95 57.99 1yx1 s SER 205 Cb -0.21 -1.48 0.93 0.00 0.10 0.00 0.00 66.02 65.35 1yx1 s SER 205 CO 0.27 -1.83 1.97 0.00 0.98 0.00 0.00 173.24 174.64 1yx1 h ALA 206 N -1.00 1.90 -0.51 5.32 0.00 -2.00 -1.37 119.26 121.60 1yx1 h ALA 206 Ca -0.46 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1yx1 h ALA 206 Cb 1.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1yx1 h ALA 206 CO 0.65 -0.03 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 1yx1 h ALA 207 N 1.67 0.71 -0.33 0.00 0.00 -1.99 -2.15 119.26 117.16 1yx1 h ALA 207 Ca 0.29 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yx1 h ALA 207 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yx1 h ALA 207 CO -0.09 0.62 0.14 -0.44 0.00 0.00 0.00 179.25 179.49 1yx1 h ASP 208 N 0.85 0.19 -0.71 0.00 3.32 -1.65 -1.43 116.42 116.98 1yx1 h ASP 208 Ca 0.13 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1yx1 h ASP 208 Cb 0.68 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 1yx1 h ASP 208 CO 0.05 0.14 0.45 -0.07 -1.72 0.00 0.00 179.24 178.09 1yx1 h LEU 209 N 0.30 0.83 -0.75 1.55 3.38 -1.16 0.29 115.31 119.76 1yx1 h LEU 209 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1yx1 h LEU 209 Cb 0.09 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1yx1 h LEU 209 CO -0.13 0.63 0.44 -0.61 0.09 0.00 0.00 178.44 178.87 1yx1 h GLN 210 N 0.96 1.03 -0.55 1.13 4.15 -1.24 -1.27 115.11 119.32 1yx1 h GLN 210 Ca 0.26 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 1yx1 h GLN 210 Cb -0.07 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.39 1yx1 h GLN 210 CO -0.05 0.74 0.19 -0.92 -1.93 0.00 0.00 178.83 176.85 1yx1 h TYR 211 N 1.03 0.88 -0.46 3.99 3.20 -0.83 -2.77 116.97 122.01 1yx1 h TYR 211 Ca 0.27 -0.08 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1yx1 h TYR 211 Cb -0.01 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1yx1 h TYR 211 CO -0.01 0.73 0.13 -1.49 -1.64 0.00 0.00 178.16 175.89 1yx1 h TRP 212 N 0.77 0.68 -0.86 -3.82 6.55 -0.60 0.06 115.95 118.74 1yx1 h TRP 212 Ca 0.18 -0.04 0.04 0.00 0.95 0.00 0.00 58.89 60.02 1yx1 h TRP 212 Cb 0.26 -0.21 -0.05 0.00 -0.86 0.00 0.00 29.16 28.30 1yx1 h TRP 212 CO 0.01 0.57 0.55 0.37 -1.05 0.00 0.00 178.44 178.89 1yx1 h GLN 213 N 0.66 1.02 -0.39 0.49 4.15 -1.00 -0.43 115.11 119.61 1yx1 h GLN 213 Ca 0.15 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.42 1yx1 h GLN 213 Cb 0.21 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1yx1 h GLN 213 CO -0.01 0.68 -0.11 -0.09 -1.93 0.00 0.00 178.83 177.37 1yx1 h ARG 214 N 1.05 0.77 -0.80 1.69 2.43 -0.98 -3.02 114.38 115.53 1yx1 h ARG 214 Ca 0.35 -0.30 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1yx1 h ARG 214 Cb 0.04 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 1yx1 h ARG 214 CO -0.13 0.91 0.48 -0.07 -1.51 0.00 0.00 179.97 179.66 1yx1 h LEU 215 N 0.58 0.76 -2.35 3.80 3.38 -0.57 -2.27 115.31 118.63 1yx1 h LEU 215 Ca 0.10 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1yx1 h LEU 215 Cb 0.63 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1yx1 h LEU 215 CO 0.04 0.49 -0.02 -0.07 0.09 0.00 0.00 178.44 178.97 1yx1 h LEU 216 N 0.89 0.00 -1.94 1.67 3.38 -0.97 -0.07 115.31 118.27 1yx1 h LEU 216 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1yx1 h LEU 216 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1yx1 h LEU 216 CO -0.17 0.02 0.08 1.56 0.09 0.00 0.00 178.44 180.03 1yx1 h GLN 217 N 0.00 0.00 0.00 1.13 4.20 -1.29 -2.14 115.11 117.02 1yx1 h GLN 217 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yx1 h GLN 217 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1yx1 h GLN 217 CO 0.00 0.00 -0.69 0.72 -0.67 0.00 0.00 178.83 178.19 1yx1 n HIS 218 N -2.58 0.13 -4.24 2.96 8.25 -0.04 -4.91 115.22 114.80 1yx1 n HIS 218 Ca -0.02 0.04 -0.25 0.00 -0.26 0.00 0.00 57.72 57.23 1yx1 n HIS 218 Cb 0.13 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 30.86 1yx1 n HIS 218 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yx1 s PHE 219 N -3.06 2.80 0.25 4.41 0.08 -0.80 -4.15 117.98 117.50 1yx1 s PHE 219 Ca 0.08 -0.17 -0.31 0.00 0.12 0.00 0.00 56.93 56.65 1yx1 s PHE 219 Cb 0.16 -1.31 -0.13 0.00 -0.57 0.00 0.00 43.02 41.17 1yx1 s PHE 219 CO 0.75 0.55 1.36 -2.30 -0.10 0.00 0.00 175.22 175.48 1yx1 n PRO 220 N -0.47 1.94 -1.67 0.24 -0.02 -1.26 -4.83 135.00 128.92 1yx1 n PRO 220 Ca -0.08 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 61.64 1yx1 n PRO 220 Cb 0.57 -2.31 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 1yx1 n PRO 220 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yx1 n GLU 221 N 1.81 2.02 -0.76 -0.52 2.13 -1.26 -2.25 120.64 121.81 1yx1 n GLU 221 Ca 0.11 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1yx1 n GLU 221 Cb 0.31 -2.34 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1yx1 n GLU 221 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx1 n GLY 222 N 1.73 0.82 3.64 8.31 0.00 -1.26 -5.02 105.19 113.41 1yx1 n GLY 222 Ca 0.10 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1yx1 n GLY 222 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yx1 n VAL 223 N -2.18 1.69 -1.84 1.61 3.14 -0.96 -4.50 118.33 115.29 1yx1 n VAL 223 Ca 0.00 -0.42 -0.41 0.00 -2.96 0.00 0.00 64.34 60.54 1yx1 n VAL 223 Cb 0.00 -1.28 -0.02 0.00 -1.06 0.00 0.00 33.84 31.48 1yx1 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yx1 s ALA 224 N -0.79 3.69 0.02 1.55 0.00 -1.26 -4.69 121.76 120.28 1yx1 s ALA 224 Ca 0.61 1.51 0.07 0.00 0.00 0.00 0.00 51.96 54.15 1yx1 s ALA 224 Cb -0.66 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 18.82 1yx1 s ALA 224 CO 0.58 -0.93 -0.22 -0.98 0.00 0.00 0.00 175.76 174.21 1yx1 s ARG 225 N -0.74 1.62 -0.06 0.00 3.03 -0.94 -1.45 118.95 120.40 1yx1 s ARG 225 Ca 0.60 -0.90 0.05 0.00 2.03 0.00 0.00 55.73 57.51 1yx1 s ARG 225 Cb -0.46 -1.67 -0.02 0.00 -1.03 0.00 0.00 34.95 31.77 1yx1 s ARG 225 CO 0.49 0.44 -0.20 0.00 -1.13 0.00 0.00 175.30 174.91 1yx1 s ALA 226 N -0.68 2.41 -0.17 7.88 0.00 0.61 -0.66 121.76 131.15 1yx1 s ALA 226 Ca 0.09 -1.01 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1yx1 s ALA 226 Cb -0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1yx1 s ALA 226 CO 0.01 0.46 1.31 0.42 0.00 0.00 0.00 175.76 177.96 1yx1 s ILE 227 N -0.38 4.19 -0.45 0.00 1.01 -0.26 -0.90 121.20 124.41 1yx1 s ILE 227 Ca 0.03 1.43 0.09 0.00 0.00 0.00 0.00 60.65 62.21 1yx1 s ILE 227 Cb -0.12 -3.96 0.36 0.00 0.01 0.00 0.00 42.46 38.74 1yx1 s ILE 227 CO 0.02 -0.17 0.86 1.21 0.00 0.00 0.00 174.94 176.86 1yx1 n GLU 228 N 6.76 2.05 -3.94 2.79 2.13 -0.56 -1.46 120.64 128.42 1yx1 n GLU 228 Ca 0.14 -4.03 -0.09 0.00 0.66 0.00 0.00 57.16 53.83 1yx1 n GLU 228 Cb 0.45 -1.92 -0.07 0.00 0.27 0.00 0.00 31.44 30.17 1yx1 n GLU 228 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1yx1 s TYR 229 N -2.98 0.35 0.01 4.31 -0.85 -1.26 -4.57 117.35 112.37 1yx1 s TYR 229 Ca 0.43 -0.71 -0.34 0.00 -0.52 0.00 0.00 57.07 55.93 1yx1 s TYR 229 Cb 0.34 -0.02 -0.12 0.00 0.38 0.00 0.00 41.96 42.53 1yx1 s TYR 229 CO -0.10 -0.73 1.78 -2.30 -1.52 0.00 0.00 175.55 172.68 1yx1 n PRO 230 N -0.22 2.23 -3.84 -3.49 -0.02 -1.26 -4.49 135.00 123.91 1yx1 n PRO 230 Ca -0.08 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.86 1yx1 n PRO 230 Cb 0.63 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.35 1yx1 n PRO 230 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yx1 s LEU 231 N 2.91 5.08 -0.01 2.45 1.43 0.13 -4.62 118.68 126.05 1yx1 s LEU 231 Ca 0.87 -2.04 0.03 0.00 -1.03 0.00 0.00 54.13 51.97 1yx1 s LEU 231 Cb -0.67 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 1yx1 s LEU 231 CO 0.46 -0.49 -0.11 -1.10 0.23 0.00 0.00 176.35 175.33 1yx1 s GLN 232 N 1.08 1.00 0.00 1.70 -0.21 -1.26 -4.48 119.66 117.49 1yx1 s GLN 232 Ca 0.09 -0.41 0.00 0.00 0.02 0.00 0.00 55.36 55.06 1yx1 s GLN 232 Cb -0.22 -0.95 0.00 0.00 1.00 0.00 0.00 33.01 32.84 1yx1 s GLN 232 CO -0.05 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 1yx1 n GLY 233 N 2.92 1.47 0.20 3.09 0.00 -1.26 -4.98 105.19 106.62 1yx1 n GLY 233 Ca -0.15 -0.89 0.09 0.00 0.00 0.00 0.00 46.02 45.07 1yx1 n GLY 233 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yx1 h ASP 234 N 0.00 0.00 -3.18 1.61 5.19 -2.06 -3.39 116.42 114.59 1yx1 h ASP 234 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 1yx1 h ASP 234 Cb 0.00 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.11 1yx1 h ASP 234 CO 0.00 0.23 -0.73 -0.62 -3.12 0.00 0.00 179.24 175.00 1yx1 s ASP 235 N -6.22 3.58 0.47 6.45 2.15 -1.26 -4.97 116.67 116.87 1yx1 s ASP 235 Ca 0.03 -3.14 0.14 0.00 0.43 0.00 0.00 52.55 50.01 1yx1 s ASP 235 Cb 0.08 -1.13 1.09 0.00 -0.30 0.00 0.00 42.92 42.65 1yx1 s ASP 235 CO 0.67 -0.18 2.06 -0.07 -0.17 0.00 0.00 175.17 177.47 1yx1 h LEU 236 N 6.05 0.06 0.31 -1.34 3.38 -1.97 -1.85 115.31 119.94 1yx1 h LEU 236 Ca 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1yx1 h LEU 236 Cb 0.87 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1yx1 h LEU 236 CO 0.55 0.13 -0.15 0.25 0.09 0.00 0.00 178.44 179.31 1yx1 h LEU 237 N 0.06 -0.35 -0.69 1.67 5.85 -1.94 0.03 115.31 119.95 1yx1 h LEU 237 Ca 0.02 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 1yx1 h LEU 237 Cb 0.15 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1yx1 h LEU 237 CO 0.01 -0.02 -0.34 0.77 -0.34 0.00 0.00 178.44 178.52 1yx1 h SER 238 N -0.71 0.66 -0.05 1.25 4.64 -1.97 -1.55 113.55 115.82 1yx1 h SER 238 Ca -0.04 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1yx1 h SER 238 Cb 0.49 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1yx1 h SER 238 CO 0.07 0.95 0.00 0.25 -0.87 0.00 0.00 176.83 177.23 1yx1 h LEU 239 N 0.54 -0.02 -0.62 5.97 5.85 -1.35 -1.85 115.31 123.83 1yx1 h LEU 239 Ca 0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1yx1 h LEU 239 Cb 0.84 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1yx1 h LEU 239 CO 0.07 -0.00 0.32 0.28 -0.34 0.00 0.00 178.44 178.77 1yx1 h SER 240 N 0.02 0.80 -0.53 1.25 0.02 -0.88 -1.72 113.55 112.50 1yx1 h SER 240 Ca 0.02 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1yx1 h SER 240 Cb 0.02 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 1yx1 h SER 240 CO -0.04 0.69 0.34 -0.09 -1.14 0.00 0.00 176.83 176.60 1yx1 h ARG 241 N 0.85 0.71 -0.20 3.45 2.43 -1.11 0.21 114.38 120.72 1yx1 h ARG 241 Ca 0.22 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1yx1 h ARG 241 Cb 0.09 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1yx1 h ARG 241 CO -0.03 0.49 0.05 -0.09 -1.51 0.00 0.00 179.97 178.87 1yx1 h ARG 242 N 0.72 0.32 -0.75 0.20 2.43 -1.08 -1.34 114.38 114.88 1yx1 h ARG 242 Ca 0.19 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1yx1 h ARG 242 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1yx1 h ARG 242 CO -0.04 0.45 0.31 0.45 -1.51 0.00 0.00 179.97 179.63 1yx1 h HIS 243 N 0.13 1.13 -0.68 2.20 3.86 -1.05 -1.99 115.15 118.75 1yx1 h HIS 243 Ca 0.06 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1yx1 h HIS 243 Cb 0.28 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 1yx1 h HIS 243 CO 0.01 0.86 0.27 0.82 0.86 0.00 0.00 177.93 180.75 1yx1 h ILE 244 N 1.08 1.24 -0.91 2.45 2.04 -0.54 -2.65 117.51 120.22 1yx1 h ILE 244 Ca 0.25 -0.76 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1yx1 h ILE 244 Cb 0.20 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1yx1 h ILE 244 CO -0.02 0.30 0.51 0.00 0.00 0.00 0.00 178.15 178.94 1yx1 h ALA 245 N 1.12 1.18 -0.25 1.87 0.00 -0.92 0.33 119.26 122.60 1yx1 h ALA 245 Ca 0.23 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1yx1 h ALA 245 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1yx1 h ALA 245 CO -0.02 0.67 -0.42 0.00 0.00 0.00 0.00 179.25 179.48 1yx1 h ALA 246 N 1.29 0.81 -0.01 0.00 0.00 -1.20 -2.88 119.26 117.27 1yx1 h ALA 246 Ca 0.32 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1yx1 h ALA 246 Cb 0.01 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.70 1yx1 h ALA 246 CO -0.05 0.65 -0.96 -0.07 0.00 0.00 0.00 179.25 178.82 1yx1 h LEU 247 N 0.49 0.65 -1.56 0.00 3.38 -1.11 -3.30 115.31 113.86 1yx1 h LEU 247 Ca 0.04 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1yx1 h LEU 247 Cb 0.93 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1yx1 h LEU 247 CO 0.08 1.31 -0.22 0.00 0.09 0.00 0.00 178.44 179.70 1yx1 h ALA 248 N 0.65 1.32 -0.02 1.53 0.00 -0.82 -2.86 119.26 119.06 1yx1 h ALA 248 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1yx1 h ALA 248 Cb 1.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1yx1 h ALA 248 CO 0.17 0.28 -0.18 2.89 0.00 0.00 0.00 179.25 182.41 1yx1 n ARG 249 N -3.82 1.66 -1.96 0.00 -4.01 -1.10 -1.48 116.66 105.95 1yx1 n ARG 249 Ca -0.02 -1.27 -0.43 0.00 -1.04 0.00 0.00 57.85 55.10 1yx1 n ARG 249 Cb 0.32 -1.47 -0.03 0.00 -3.04 0.00 0.00 32.46 28.24 1yx1 n ARG 249 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1yx1 s LEU 250 N -2.21 4.04 0.00 2.89 1.02 -1.08 -4.87 118.68 118.46 1yx1 s LEU 250 Ca 0.26 1.97 0.00 0.00 0.02 0.00 0.00 54.13 56.39 1yx1 s LEU 250 Cb 0.20 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.88 1yx1 s LEU 250 CO 0.42 -1.22 0.00 0.61 0.02 0.00 0.00 176.35 176.18 1yx1 n GLY 251 N 4.62 -1.20 3.82 -3.19 0.00 -1.26 -4.91 105.19 103.08 1yx1 n GLY 251 Ca 0.20 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.81 1yx1 n GLY 251 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yx1 s GLN 252 N -1.43 3.75 0.00 1.61 -1.52 -1.26 -5.07 119.66 115.74 1yx1 s GLN 252 Ca 0.00 1.10 0.01 0.00 -1.95 0.00 0.00 55.36 54.52 1yx1 s GLN 252 Cb 0.00 -2.10 0.07 0.00 -0.22 0.00 0.00 33.01 30.76 1yx1 s GLN 252 CO 0.00 -0.44 0.57 -0.35 -0.25 0.00 0.00 175.29 174.81