#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayt s LEU 3 N 0.00 1.85 1.05 2.23 1.43 -1.26 -5.08 118.68 118.90 2ayt s LEU 3 Ca 0.00 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 2ayt s LEU 3 Cb 0.00 -1.11 0.22 0.00 0.03 0.00 0.00 46.19 45.33 2ayt s LEU 3 CO 0.00 0.08 1.07 0.54 0.23 0.00 0.00 176.35 178.27 2ayt s ASN 4 N 0.57 1.97 0.22 2.29 2.20 -1.26 -4.64 114.94 116.29 2ayt s ASN 4 Ca -0.15 1.58 -0.09 0.00 -0.94 0.00 0.00 52.86 53.26 2ayt s ASN 4 Cb -0.17 -2.26 0.23 0.00 -2.00 0.00 0.00 41.25 37.06 2ayt s ASN 4 CO 0.05 -3.60 1.84 -0.07 -2.94 0.00 0.00 177.10 172.39 2ayt h LEU 5 N -2.21 0.73 -0.56 3.54 3.38 -2.00 -0.15 115.31 118.04 2ayt h LEU 5 Ca -0.55 0.01 0.10 0.00 0.09 0.00 0.00 57.88 57.52 2ayt h LEU 5 Cb 1.31 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 2ayt h LEU 5 CO 0.51 0.49 0.13 0.44 0.09 0.00 0.00 178.44 180.09 2ayt h ASP 6 N 0.87 0.03 -0.07 -0.43 3.32 -1.99 0.49 116.42 118.64 2ayt h ASP 6 Ca 0.31 0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.43 2ayt h ASP 6 Cb 0.08 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 2ayt h ASP 6 CO -0.14 0.03 -0.08 0.58 -1.72 0.00 0.00 179.24 177.92 2ayt h VAL 7 N 0.27 1.38 -0.77 -1.35 2.07 -1.81 -2.14 116.25 113.90 2ayt h VAL 7 Ca 0.29 -1.26 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2ayt h VAL 7 Cb 0.40 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 2ayt h VAL 7 CO -0.36 0.35 0.46 0.03 0.02 0.00 0.00 177.57 178.07 2ayt h ARG 8 N -0.28 0.81 -0.28 1.57 3.08 -0.58 0.11 114.38 118.81 2ayt h ARG 8 Ca 0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2ayt h ARG 8 Cb 0.60 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2ayt h ARG 8 CO 0.02 0.53 0.07 1.98 -1.07 0.00 0.00 179.97 181.50 2ayt h MET 9 N 0.83 0.44 -0.95 0.04 4.05 -0.03 -0.26 114.93 119.05 2ayt h MET 9 Ca 0.34 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.67 2ayt h MET 9 Cb 0.19 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.88 2ayt h MET 9 CO -0.18 0.53 0.63 0.37 0.23 0.00 0.00 176.91 178.48 2ayt h GLN 10 N 0.28 1.23 -0.24 0.39 5.75 -0.87 -0.21 115.11 121.44 2ayt h GLN 10 Ca 0.09 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2ayt h GLN 10 Cb 0.28 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2ayt h GLN 10 CO 0.00 0.81 0.04 1.25 -2.65 0.00 0.00 178.83 178.28 2ayt h LEU 11 N 1.26 0.38 -0.26 -2.39 5.85 -0.45 0.77 115.31 120.47 2ayt h LEU 11 Ca 0.36 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2ayt h LEU 11 Cb -0.11 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2ayt h LEU 11 CO -0.09 0.55 0.09 0.11 -0.34 0.00 0.00 178.44 178.76 2ayt h LYS 12 N 0.20 0.40 -0.65 1.25 1.57 -0.72 0.24 116.57 118.85 2ayt h LYS 12 Ca 0.07 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2ayt h LYS 12 Cb 0.33 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 2ayt h LYS 12 CO 0.01 0.45 0.16 0.93 -0.57 0.00 0.00 179.45 180.43 2ayt h GLU 13 N 0.26 1.02 -0.31 3.15 5.08 -0.99 -0.52 114.58 122.28 2ayt h GLU 13 Ca 0.09 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2ayt h GLU 13 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 2ayt h GLU 13 CO -0.00 0.91 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.50 2ayt h LEU 14 N 0.98 0.72 -0.24 1.33 3.38 -0.64 -3.03 115.31 117.81 2ayt h LEU 14 Ca 0.21 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2ayt h LEU 14 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2ayt h LEU 14 CO 0.00 0.99 0.08 0.00 0.09 0.00 0.00 178.44 179.61 2ayt h ALA 15 N 1.05 0.31 0.00 1.53 0.00 0.11 0.26 119.26 122.52 2ayt h ALA 15 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ayt h ALA 15 Cb 0.86 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ayt h ALA 15 CO 0.07 -0.08 0.00 1.96 0.00 0.00 0.00 179.25 181.20 2ayt h GLN 16 N 0.22 0.00 0.00 0.00 4.20 -1.10 0.24 115.11 118.67 2ayt h GLN 16 Ca 0.08 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.46 2ayt h GLN 16 Cb 0.21 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 2ayt h GLN 16 CO -0.00 0.00 -2.27 1.17 -0.67 0.00 0.00 178.83 177.06 2ayt n LYS 17 N -2.74 0.94 -0.04 1.46 4.81 -1.03 -4.65 118.16 116.91 2ayt n LYS 17 Ca -0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 2ayt n LYS 17 Cb 0.19 -1.48 -0.13 0.00 0.02 0.00 0.00 35.03 33.63 2ayt n LYS 17 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2ayt n GLU 18 N -2.67 0.89 -2.30 1.64 -0.58 0.89 -5.00 120.64 113.51 2ayt n GLU 18 Ca -0.30 -0.09 -0.39 0.00 -0.42 0.00 0.00 57.16 55.96 2ayt n GLU 18 Cb 1.09 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 30.51 2ayt n GLU 18 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 2ayt s PHE 19 N -2.86 3.19 0.00 -0.32 5.36 0.81 -4.65 117.98 119.51 2ayt s PHE 19 Ca -0.07 1.56 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 2ayt s PHE 19 Cb 0.08 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 2ayt s PHE 19 CO 0.71 -1.26 0.00 1.17 -1.46 0.00 0.00 175.22 174.38 2ayt n LYS 20 N 0.51 0.00 -2.24 10.12 4.81 -1.26 -4.94 118.16 125.16 2ayt n LYS 20 Ca 0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.15 2ayt n LYS 20 Cb 0.45 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.49 2ayt n LYS 20 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2ayt s GLU 21 N 0.00 3.70 0.44 1.64 0.41 0.73 -4.99 118.70 120.62 2ayt s GLU 21 Ca 0.00 0.68 -0.25 0.00 -0.41 0.00 0.00 54.97 54.98 2ayt s GLU 21 Cb 0.00 -2.18 -0.09 0.00 -1.78 0.00 0.00 34.13 30.08 2ayt s GLU 21 CO 0.00 -0.37 1.33 -2.30 -0.49 0.00 0.00 175.26 173.43 2ayt n PRO 22 N -2.21 2.05 -4.68 0.39 -0.02 -1.26 -4.55 135.00 124.72 2ayt n PRO 22 Ca 0.05 0.73 -0.25 0.00 -2.02 0.00 0.00 63.50 62.01 2ayt n PRO 22 Cb 0.54 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 2ayt n PRO 22 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayt s VAL 23 N -1.20 1.60 -0.13 -1.45 1.01 0.03 -4.74 120.40 115.52 2ayt s VAL 23 Ca 0.61 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2ayt s VAL 23 Cb -0.48 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.52 2ayt s VAL 23 CO 0.58 0.24 -0.22 -0.55 0.00 0.00 0.00 175.10 175.14 2ayt s SER 24 N -1.04 3.08 -0.13 3.32 0.15 -0.07 -2.00 113.70 117.01 2ayt s SER 24 Ca 0.07 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 56.12 2ayt s SER 24 Cb -0.08 -1.42 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 2ayt s SER 24 CO 0.01 0.09 -0.10 -0.63 1.20 0.00 0.00 173.24 173.82 2ayt s ILE 25 N 0.75 3.37 -0.12 6.45 1.01 0.22 0.38 121.20 133.26 2ayt s ILE 25 Ca -0.09 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2ayt s ILE 25 Cb -0.16 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.89 2ayt s ILE 25 CO -0.00 0.52 -0.17 -0.54 0.00 0.00 0.00 174.94 174.75 2ayt s LYS 26 N 0.23 2.43 -0.16 2.79 1.02 -0.17 -1.04 119.74 124.85 2ayt s LYS 26 Ca -0.06 -0.64 -0.01 0.00 0.02 0.00 0.00 55.97 55.27 2ayt s LYS 26 Cb -0.15 -2.03 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 2ayt s LYS 26 CO 0.04 -0.04 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.15 2ayt s LEU 27 N 0.92 2.76 -0.26 3.17 2.96 0.70 -0.15 118.68 128.79 2ayt s LEU 27 Ca -0.07 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 2ayt s LEU 27 Cb -0.15 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 2ayt s LEU 27 CO -0.01 0.11 0.07 -0.36 -1.32 0.00 0.00 176.35 174.84 2ayt s PHE 28 N 0.67 3.09 0.25 5.38 0.40 0.16 0.13 117.98 128.06 2ayt s PHE 28 Ca -0.06 -0.55 -0.09 0.00 -0.60 0.00 0.00 56.93 55.64 2ayt s PHE 28 Cb -0.15 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 2ayt s PHE 28 CO 0.02 -0.41 0.39 -1.54 0.70 0.00 0.00 175.22 174.39 2ayt s SER 29 N 1.59 0.08 0.03 1.36 1.04 -0.30 -1.75 113.70 115.75 2ayt s SER 29 Ca 0.06 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.38 2ayt s SER 29 Cb -0.15 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2ayt s SER 29 CO 0.03 -1.09 -0.03 0.00 0.98 0.00 0.00 173.24 173.14 2ayt s GLN 30 N -3.94 0.45 0.51 4.02 -2.07 -1.26 -4.15 119.66 113.23 2ayt s GLN 30 Ca 0.27 -0.89 0.30 0.00 -1.82 0.00 0.00 55.36 53.22 2ayt s GLN 30 Cb 0.01 0.16 1.24 0.00 -1.09 0.00 0.00 33.01 33.33 2ayt s GLN 30 CO 0.11 -0.08 1.95 0.00 -1.32 0.00 0.00 175.29 175.95 2ayt h ALA 31 N 3.96 1.04 -3.46 2.60 0.00 -2.00 -3.43 119.26 117.97 2ayt h ALA 31 Ca -0.33 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.18 2ayt h ALA 31 Cb 1.18 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 18.71 2ayt h ALA 31 CO 0.52 0.12 -0.75 0.42 0.00 0.00 0.00 179.25 179.57 2ayt s ILE 32 N -3.73 0.56 -0.22 0.00 1.01 -1.26 -4.87 121.20 112.69 2ayt s ILE 32 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2ayt s ILE 32 Cb 0.10 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 42.00 2ayt s ILE 32 CO 0.58 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.94 2ayt n GLY 33 N 1.97 0.45 2.82 6.18 0.00 -1.26 -5.02 105.19 110.33 2ayt n GLY 33 Ca -0.19 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2ayt n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ayt h GLU 35 N 7.83 -0.11 -0.02 0.00 4.57 -1.95 -2.94 114.58 121.96 2ayt h GLU 35 Ca -0.06 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2ayt h GLU 35 Cb 1.08 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2ayt h GLU 35 CO 0.27 -0.07 -0.05 -1.13 -1.18 0.00 0.00 179.01 176.84 2ayt n SER 36 N -5.44 1.59 -0.21 1.04 3.41 -1.26 -4.46 113.62 108.28 2ayt n SER 36 Ca 0.05 -1.45 -0.01 0.00 -0.26 0.00 0.00 58.87 57.20 2ayt n SER 36 Cb 0.35 0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.43 2ayt n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ayt h GLN 38 N 0.57 0.15 -0.74 0.00 4.15 -1.79 -0.96 115.11 116.48 2ayt h GLN 38 Ca 0.30 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.67 2ayt h GLN 38 Cb 0.26 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 2ayt h GLN 38 CO -0.22 0.11 0.30 1.15 -1.93 0.00 0.00 178.83 178.24 2ayt h THR 39 N 0.14 1.25 -0.57 2.39 2.02 -1.77 -2.01 112.91 114.36 2ayt h THR 39 Ca 0.04 -0.77 0.01 0.00 0.77 0.00 0.00 66.41 66.46 2ayt h THR 39 Cb -0.01 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 2ayt h THR 39 CO -0.01 0.31 0.38 0.00 0.37 0.00 0.00 175.52 176.57 2ayt h ALA 40 N 1.26 0.73 -0.33 6.16 0.00 -0.50 0.39 119.26 126.97 2ayt h ALA 40 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ayt h ALA 40 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ayt h ALA 40 CO -0.02 0.15 0.20 0.93 0.00 0.00 0.00 179.25 180.51 2ayt h GLU 41 N 0.77 0.45 -0.36 0.00 5.08 -0.79 0.11 114.58 119.84 2ayt h GLU 41 Ca 0.21 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2ayt h GLU 41 Cb -0.07 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2ayt h GLU 41 CO -0.05 0.34 0.21 0.93 -1.00 0.00 0.00 179.01 179.43 2ayt h GLU 42 N 0.43 0.49 -0.12 2.33 5.08 -0.92 0.14 114.58 122.01 2ayt h GLU 42 Ca 0.12 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2ayt h GLU 42 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2ayt h GLU 42 CO -0.02 0.38 0.05 1.25 -1.00 0.00 0.00 179.01 179.67 2ayt h LEU 43 N 0.46 0.07 -0.56 1.33 5.85 0.12 -2.09 115.31 120.49 2ayt h LEU 43 Ca 0.13 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.73 2ayt h LEU 43 Cb 0.03 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2ayt h LEU 43 CO -0.02 0.06 -0.19 -0.07 -0.34 0.00 0.00 178.44 177.88 2ayt h LEU 44 N 0.12 0.97 -0.13 2.25 3.38 -0.59 0.35 115.31 121.66 2ayt h LEU 44 Ca 0.05 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2ayt h LEU 44 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2ayt h LEU 44 CO -0.04 1.13 0.06 0.11 0.09 0.00 0.00 178.44 179.79 2ayt h LYS 45 N 0.83 0.13 -0.41 1.13 1.57 -0.60 0.44 116.57 119.66 2ayt h LYS 45 Ca 0.11 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2ayt h LYS 45 Cb 0.76 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 2ayt h LYS 45 CO 0.06 0.09 0.01 1.49 -0.57 0.00 0.00 179.45 180.53 2ayt h GLU 46 N 0.13 0.71 -0.49 3.15 4.81 -1.30 0.34 114.58 121.93 2ayt h GLU 46 Ca 0.05 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2ayt h GLU 46 Cb 0.02 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 2ayt h GLU 46 CO -0.04 0.79 0.27 1.15 -0.73 0.00 0.00 179.01 180.44 2ayt h THR 47 N 0.55 1.00 -0.59 0.32 2.02 -0.69 0.17 112.91 115.69 2ayt h THR 47 Ca 0.12 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2ayt h THR 47 Cb 0.46 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2ayt h THR 47 CO 0.02 0.10 -0.00 0.58 0.37 0.00 0.00 175.52 176.58 2ayt h VAL 48 N 0.53 1.26 0.01 3.16 2.07 -0.76 -1.82 116.25 120.70 2ayt h VAL 48 Ca 0.21 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.59 2ayt h VAL 48 Cb 0.08 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2ayt h VAL 48 CO -0.12 0.41 -0.00 -0.08 0.02 0.00 0.00 177.57 177.80 2ayt h GLU 49 N 0.94 -0.01 -0.22 1.57 4.81 -0.23 -0.03 114.58 121.42 2ayt h GLU 49 Ca 0.17 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2ayt h GLU 49 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 2ayt h GLU 49 CO 0.03 0.16 0.09 0.28 -0.73 0.00 0.00 179.01 178.83 2ayt h VAL 50 N -0.17 0.96 -0.33 0.32 2.07 -0.61 -0.42 116.25 118.08 2ayt h VAL 50 Ca -0.00 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2ayt h VAL 50 Cb 0.17 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2ayt h VAL 50 CO 0.00 0.04 0.13 0.40 0.02 0.00 0.00 177.57 178.16 2ayt h ILE 51 N 0.20 1.18 -0.88 4.57 2.04 -1.31 -2.46 117.51 120.84 2ayt h ILE 51 Ca 0.09 -0.55 0.09 0.00 1.00 0.00 0.00 64.86 65.49 2ayt h ILE 51 Cb 0.05 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 2ayt h ILE 51 CO -0.08 0.19 0.57 1.23 0.00 0.00 0.00 178.15 180.06 2ayt h GLY 52 N 0.38 1.28 2.00 5.37 0.00 -0.68 0.17 103.07 111.58 2ayt h GLY 52 Ca 0.11 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 2ayt h GLY 52 CO -0.01 0.23 -0.25 0.83 0.00 0.00 0.00 176.54 177.35 2ayt h GLU 53 N 0.92 0.00 0.00 4.80 5.08 -0.74 0.74 114.58 125.38 2ayt h GLU 53 Ca 0.40 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.55 2ayt h GLU 53 Cb 0.34 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2ayt h GLU 53 CO -0.16 0.25 -1.28 0.00 -1.00 0.00 0.00 179.01 176.82 2ayt h ALA 54 N 1.75 0.63 0.00 3.43 0.00 -0.30 -3.41 119.26 121.37 2ayt h ALA 54 Ca -0.00 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.91 2ayt h ALA 54 Cb 0.58 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ayt h ALA 54 CO 0.03 1.15 0.00 1.33 0.00 0.00 0.00 179.25 181.76 2ayt n VAL 55 N -3.09 0.00 0.00 0.00 0.24 -0.15 -4.72 118.33 110.61 2ayt n VAL 55 Ca -0.08 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2ayt n VAL 55 Cb 0.91 1.44 0.00 0.00 -1.47 0.00 0.00 33.84 34.72 2ayt n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ayt n GLY 56 N 0.10 2.91 0.35 7.63 0.00 0.26 -4.68 105.19 111.75 2ayt n GLY 56 Ca 0.00 -1.28 0.18 0.00 0.00 0.00 0.00 46.02 44.92 2ayt n GLY 56 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2ayt h GLN 57 N 0.00 0.00 0.00 1.61 4.20 -1.81 0.73 115.11 119.84 2ayt h GLN 57 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ayt h GLN 57 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2ayt h GLN 57 CO 0.00 0.00 0.00 0.38 -0.67 0.00 0.00 178.83 178.54 2ayt h ASP 58 N 0.00 0.00 0.06 1.46 2.03 -1.89 -3.04 116.42 115.04 2ayt h ASP 58 Ca 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 2ayt h ASP 58 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 2ayt h ASP 58 CO -0.00 0.00 -0.22 0.29 -1.03 0.00 0.00 179.24 178.28 2ayt n LYS 59 N -2.60 1.39 -3.65 4.15 5.02 0.25 -4.89 118.16 117.83 2ayt n LYS 59 Ca 0.01 -1.01 -0.10 0.00 -2.02 0.00 0.00 58.31 55.20 2ayt n LYS 59 Cb 0.26 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.71 2ayt n LYS 59 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2ayt s ILE 60 N -2.30 -0.00 0.08 -0.18 2.07 -1.15 -0.79 121.20 118.92 2ayt s ILE 60 Ca 0.26 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2ayt s ILE 60 Cb 0.19 -0.90 -0.04 0.00 0.13 0.00 0.00 42.46 41.84 2ayt s ILE 60 CO 0.46 0.01 -0.02 -1.59 -1.91 0.00 0.00 174.94 171.88 2ayt s LYS 61 N 1.21 0.72 -0.03 3.50 -2.85 -0.85 -4.81 119.74 116.63 2ayt s LYS 61 Ca -0.07 -1.29 0.03 0.00 -1.00 0.00 0.00 55.97 53.65 2ayt s LYS 61 Cb -0.05 0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2ayt s LYS 61 CO -0.12 -0.11 -0.12 -1.17 0.10 0.00 0.00 175.35 173.92 2ayt s LEU 62 N -2.97 1.88 -0.07 2.77 2.96 -1.26 -0.61 118.68 121.38 2ayt s LEU 62 Ca 0.11 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2ayt s LEU 62 Cb 0.07 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 46.08 2ayt s LEU 62 CO -0.07 0.12 -0.10 -1.81 -1.32 0.00 0.00 176.35 173.17 2ayt s ASP 63 N 0.02 1.72 -0.17 3.68 1.01 -0.20 -4.98 116.67 117.74 2ayt s ASP 63 Ca -0.01 -0.27 -0.06 0.00 0.71 0.00 0.00 52.55 52.92 2ayt s ASP 63 Cb -0.08 -0.76 -0.03 0.00 1.01 0.00 0.00 42.92 43.05 2ayt s ASP 63 CO 0.01 -0.02 0.02 -0.63 0.21 0.00 0.00 175.17 174.76 2ayt s ILE 64 N 0.95 4.35 0.30 0.77 1.01 -1.26 -0.21 121.20 127.11 2ayt s ILE 64 Ca -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.41 2ayt s ILE 64 Cb -0.15 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 2ayt s ILE 64 CO 0.00 0.47 0.03 -0.31 0.00 0.00 0.00 174.94 175.14 2ayt s TYR 65 N 0.41 1.90 -0.04 3.97 1.51 0.12 -4.95 117.35 120.27 2ayt s TYR 65 Ca -0.00 -0.91 0.03 0.00 -1.01 0.00 0.00 57.07 55.18 2ayt s TYR 65 Cb -0.13 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.52 2ayt s TYR 65 CO 0.02 0.05 -0.12 0.45 -1.11 0.00 0.00 175.55 174.84 2ayt s SER 66 N -3.45 1.56 0.38 2.29 0.15 -1.26 -1.15 113.70 112.22 2ayt s SER 66 Ca 0.34 -0.25 0.24 0.00 0.70 0.00 0.00 55.95 56.98 2ayt s SER 66 Cb 0.07 -0.49 1.31 0.00 -1.71 0.00 0.00 66.02 65.20 2ayt s SER 66 CO 0.14 0.08 1.73 -0.65 1.20 0.00 0.00 173.24 175.74 2ayt h PRO 67 N 6.49 0.00 0.08 5.44 0.11 -1.86 0.18 132.00 142.44 2ayt h PRO 67 Ca -0.33 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.45 2ayt h PRO 67 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 2ayt h PRO 67 CO 0.48 0.00 -1.87 0.74 -0.21 0.00 0.00 178.00 177.15 2ayt h PHE 68 N 0.00 0.32 0.00 0.65 -1.00 -1.94 -3.42 116.94 111.55 2ayt h PHE 68 Ca 0.00 -0.23 0.00 0.00 2.81 0.00 0.00 57.97 60.55 2ayt h PHE 68 Cb 0.07 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.62 2ayt h PHE 68 CO 0.00 1.48 -1.32 0.25 -1.61 0.00 0.00 178.31 177.11 2ayt n THR 69 N -3.33 0.00 -3.70 -1.55 -2.24 -0.73 -4.78 114.28 97.96 2ayt n THR 69 Ca -0.26 -0.28 -0.30 0.00 -2.27 0.00 0.00 64.05 60.95 2ayt n THR 69 Cb 1.05 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.62 2ayt n THR 69 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2ayt n HIS 70 N -1.77 3.56 0.38 4.78 8.25 0.54 -4.95 115.22 126.00 2ayt n HIS 70 Ca -0.01 -4.17 -0.19 0.00 -0.26 0.00 0.00 57.72 53.09 2ayt n HIS 70 Cb 0.31 -0.77 -0.10 0.00 1.12 0.00 0.00 29.99 30.56 2ayt n HIS 70 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2ayt h LYS 71 N 5.26 -1.08 -0.53 -0.41 3.64 -1.84 -0.32 116.57 121.29 2ayt h LYS 71 Ca 0.17 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.73 2ayt h LYS 71 Cb 0.74 0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.71 2ayt h LYS 71 CO 0.81 -0.72 -0.06 0.93 -2.27 0.00 0.00 179.45 178.14 2ayt h GLU 72 N -1.12 0.06 -0.28 1.90 5.08 -1.98 0.17 114.58 118.40 2ayt h GLU 72 Ca -0.09 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2ayt h GLU 72 Cb 0.92 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2ayt h GLU 72 CO 0.04 0.04 0.01 0.93 -1.00 0.00 0.00 179.01 179.02 2ayt h GLU 73 N 0.06 0.50 -0.77 2.33 3.07 -1.97 0.46 114.58 118.26 2ayt h GLU 73 Ca 0.26 -0.16 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 2ayt h GLU 73 Cb 0.41 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 2ayt h GLU 73 CO -0.49 0.64 0.47 1.15 -1.40 0.00 0.00 179.01 179.39 2ayt h THR 74 N 0.29 1.06 -0.17 1.13 2.02 -0.40 -1.62 112.91 115.22 2ayt h THR 74 Ca 0.08 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.86 2ayt h THR 74 Cb 0.42 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2ayt h THR 74 CO 0.01 0.16 -0.28 -0.08 0.37 0.00 0.00 175.52 175.71 2ayt h GLU 75 N 0.89 0.49 -0.96 6.66 4.81 -0.48 -0.97 114.58 125.02 2ayt h GLU 75 Ca 0.32 -0.30 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2ayt h GLU 75 Cb 0.10 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.43 2ayt h GLU 75 CO -0.14 0.90 0.62 -0.22 -0.73 0.00 0.00 179.01 179.43 2ayt h LYS 76 N 0.14 0.94 -0.73 1.92 3.64 0.36 -1.89 116.57 120.95 2ayt h LYS 76 Ca 0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ayt h LYS 76 Cb 0.86 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2ayt h LYS 76 CO 0.06 0.62 0.00 0.66 -2.27 0.00 0.00 179.45 178.53 2ayt n TYR 77 N -4.57 0.97 -3.84 1.91 4.01 -0.65 -4.97 117.16 110.03 2ayt n TYR 77 Ca 0.17 -0.48 -0.24 0.00 -0.16 0.00 0.00 57.90 57.19 2ayt n TYR 77 Cb 0.32 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.36 2ayt n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ayt n GLY 78 N 1.65 -0.27 3.72 2.72 0.00 -0.71 -4.94 105.19 107.35 2ayt n GLY 78 Ca 0.24 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 2ayt n GLY 78 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ayt s VAL 79 N -3.77 5.17 0.00 1.61 1.01 -0.42 -4.90 120.40 119.10 2ayt s VAL 79 Ca 0.06 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.06 2ayt s VAL 79 Cb -0.03 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2ayt s VAL 79 CO 0.85 0.31 0.59 -0.90 0.00 0.00 0.00 175.10 175.95 2ayt n ASP 80 N 3.75 0.00 -3.85 3.32 5.75 -1.26 -4.83 116.55 119.43 2ayt n ASP 80 Ca -0.06 -1.24 -0.10 0.00 -0.01 0.00 0.00 54.79 53.38 2ayt n ASP 80 Cb 0.51 -0.05 -0.08 0.00 -1.03 0.00 0.00 41.12 40.48 2ayt n ASP 80 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2ayt s ARG 81 N 0.00 0.73 0.02 0.11 0.52 -1.26 -5.18 118.95 113.88 2ayt s ARG 81 Ca 0.00 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 2ayt s ARG 81 Cb 0.00 0.30 -0.02 0.00 0.52 0.00 0.00 34.95 35.75 2ayt s ARG 81 CO 0.00 -0.21 -0.03 0.14 0.02 0.00 0.00 175.30 175.21 2ayt s VAL 82 N -2.83 0.15 0.25 3.52 -7.23 -1.26 -3.72 120.40 109.29 2ayt s VAL 82 Ca -0.03 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.17 2ayt s VAL 82 Cb 0.00 -0.26 -0.09 0.00 0.56 0.00 0.00 36.38 36.59 2ayt s VAL 82 CO -0.05 -0.37 0.82 -2.16 -0.31 0.00 0.00 175.10 173.03 2ayt s PRO 83 N -1.16 4.44 -0.14 4.82 0.04 -1.26 -4.76 135.00 136.98 2ayt s PRO 83 Ca -0.12 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.04 2ayt s PRO 83 Cb -0.08 -2.91 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2ayt s PRO 83 CO -0.01 0.38 -0.19 0.99 0.04 0.00 0.00 177.00 178.21 2ayt s THR 84 N -1.50 2.41 -0.14 1.26 2.01 -0.72 -0.52 115.64 118.44 2ayt s THR 84 Ca 0.45 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 2ayt s THR 84 Cb -0.18 -1.99 -0.02 0.00 0.01 0.00 0.00 72.50 70.31 2ayt s THR 84 CO 0.23 0.53 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.99 2ayt s ILE 85 N 0.71 3.62 -0.20 1.82 1.01 0.21 -0.67 121.20 127.70 2ayt s ILE 85 Ca -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 2ayt s ILE 85 Cb -0.16 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 2ayt s ILE 85 CO 0.01 0.51 -0.05 -0.69 0.00 0.00 0.00 174.94 174.72 2ayt s VAL 86 N 0.28 3.44 -0.40 2.92 1.01 0.78 -0.85 120.40 127.58 2ayt s VAL 86 Ca -0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 2ayt s VAL 86 Cb -0.14 -2.54 0.05 0.00 0.00 0.00 0.00 36.38 33.75 2ayt s VAL 86 CO 0.04 0.45 0.25 -0.63 0.00 0.00 0.00 175.10 175.20 2ayt s ILE 87 N 1.14 4.55 0.29 2.22 1.01 -1.21 -1.00 121.20 128.20 2ayt s ILE 87 Ca 0.02 -1.07 0.09 0.00 0.00 0.00 0.00 60.65 59.69 2ayt s ILE 87 Cb -0.15 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2ayt s ILE 87 CO -0.01 -0.38 0.01 -0.70 0.00 0.00 0.00 174.94 173.86 2ayt s GLU 88 N 1.52 2.23 0.00 2.79 2.12 0.16 -4.58 118.70 122.94 2ayt s GLU 88 Ca 0.03 -1.51 0.00 0.00 0.36 0.00 0.00 54.97 53.85 2ayt s GLU 88 Cb -0.21 -2.10 0.00 0.00 0.26 0.00 0.00 34.13 32.08 2ayt s GLU 88 CO 0.05 0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.47 2ayt n GLY 89 N -0.92 2.54 0.17 -1.50 0.00 -1.26 -0.89 105.19 103.33 2ayt n GLY 89 Ca -0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 2ayt n GLY 89 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2ayt h ASP 90 N 0.00 0.33 -4.04 1.61 3.32 -1.93 -3.43 116.42 112.27 2ayt h ASP 90 Ca 0.00 -0.20 -0.51 0.00 0.02 0.00 0.00 57.03 56.34 2ayt h ASP 90 Cb 0.00 -0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.32 2ayt h ASP 90 CO 0.00 0.88 -0.52 -1.59 -1.72 0.00 0.00 179.24 176.29 2ayt s LYS 91 N -3.73 1.83 -0.21 3.56 -2.85 -1.26 -5.12 119.74 111.96 2ayt s LYS 91 Ca -0.04 -2.10 -0.21 0.00 -1.00 0.00 0.00 55.97 52.62 2ayt s LYS 91 Cb 0.12 -0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.56 2ayt s LYS 91 CO 0.81 -0.51 0.64 0.34 0.10 0.00 0.00 175.35 176.72 2ayt s ASP 92 N -3.51 6.67 0.00 0.03 2.15 -1.26 -4.77 116.67 115.97 2ayt s ASP 92 Ca 0.30 0.81 0.24 0.00 0.43 0.00 0.00 52.55 54.33 2ayt s ASP 92 Cb 0.03 -2.35 0.67 0.00 -0.30 0.00 0.00 42.92 40.97 2ayt s ASP 92 CO 0.18 -0.31 1.52 -1.22 -0.17 0.00 0.00 175.17 175.18 2ayt n TYR 93 N 5.24 0.15 -0.85 -5.34 4.02 -1.26 -4.91 117.16 114.21 2ayt n TYR 93 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2ayt n TYR 93 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 2ayt n TYR 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ayt n GLY 94 N 1.26 0.48 3.66 2.72 0.00 -1.26 -4.21 105.19 107.84 2ayt n GLY 94 Ca 0.17 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 2ayt n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayt s ILE 95 N -2.00 4.93 0.02 -0.61 1.01 -1.26 -0.47 121.20 122.81 2ayt s ILE 95 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2ayt s ILE 95 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2ayt s ILE 95 CO 0.00 0.04 -0.04 -0.13 0.00 0.00 0.00 174.94 174.81 2ayt s ARG 96 N 2.19 0.32 -0.10 2.79 1.81 -0.19 -3.29 118.95 122.49 2ayt s ARG 96 Ca 0.34 -0.51 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 2ayt s ARG 96 Cb -0.16 -0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.31 2ayt s ARG 96 CO 0.11 -0.00 -0.08 -0.47 -0.68 0.00 0.00 175.30 174.18 2ayt s TYR 97 N -1.08 1.38 -0.35 -0.53 5.04 -0.03 -0.47 117.35 121.31 2ayt s TYR 97 Ca -0.10 -0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 53.88 2ayt s TYR 97 Cb -0.08 -1.13 0.07 0.00 0.35 0.00 0.00 41.96 41.17 2ayt s TYR 97 CO -0.00 -0.43 0.09 0.42 -1.34 0.00 0.00 175.55 174.29 2ayt s ILE 98 N 1.46 3.17 -2.06 3.14 1.01 0.96 0.64 121.20 129.51 2ayt s ILE 98 Ca -0.00 -1.65 0.00 0.00 0.00 0.00 0.00 60.65 58.99 2ayt s ILE 98 Cb -0.13 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2ayt s ILE 98 CO -0.05 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.14 2ayt n GLY 99 N 4.62 0.61 3.55 6.18 0.00 0.33 -1.08 105.19 119.39 2ayt n GLY 99 Ca -0.08 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.37 2ayt n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayt s LEU 100 N 0.00 4.40 -1.43 0.99 2.96 -1.26 -4.69 118.68 119.64 2ayt s LEU 100 Ca 0.00 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.70 2ayt s LEU 100 Cb 0.00 -2.53 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 2ayt s LEU 100 CO 0.00 -0.47 2.65 -0.81 -1.32 0.00 0.00 176.35 176.40 2ayt n PRO 101 N 5.68 3.17 -2.14 0.98 -0.04 -1.26 -4.85 135.00 136.54 2ayt n PRO 101 Ca -0.06 -2.10 -0.10 0.00 -0.04 0.00 0.00 63.50 61.20 2ayt n PRO 101 Cb 0.49 -2.81 0.02 0.00 -0.04 0.00 0.00 33.50 31.16 2ayt n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayt n ALA 102 N 4.25 0.51 -0.86 0.55 0.00 -1.26 -2.77 120.51 120.92 2ayt n ALA 102 Ca 0.67 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2ayt n ALA 102 Cb 0.24 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2ayt n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ayt n GLY 103 N 1.82 2.00 0.13 0.00 0.00 -1.26 -1.32 105.19 106.56 2ayt n GLY 103 Ca 0.05 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.72 2ayt n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayt n LEU 104 N 0.00 0.57 -0.01 0.99 4.77 0.69 -2.03 117.00 121.98 2ayt n LEU 104 Ca 0.00 0.69 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 2ayt n LEU 104 Cb 0.00 -0.68 0.72 0.00 -2.33 0.00 0.00 43.42 41.13 2ayt n LEU 104 CO 0.00 -0.71 0.99 -0.62 -1.33 0.00 0.00 177.39 175.72 2ayt n GLU 105 N -2.19 0.36 0.21 3.23 -0.58 -0.44 -3.19 120.64 118.05 2ayt n GLU 105 Ca 0.01 -0.02 0.06 0.00 -0.42 0.00 0.00 57.16 56.79 2ayt n GLU 105 Cb 0.14 -1.50 0.47 0.00 -0.57 0.00 0.00 31.44 29.97 2ayt n GLU 105 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 2ayt h PHE 106 N 0.04 0.00 -0.49 -0.32 3.57 -1.22 -1.08 116.94 117.44 2ayt h PHE 106 Ca 0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2ayt h PHE 106 Cb 0.33 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2ayt h PHE 106 CO 0.00 0.28 -0.07 1.15 -2.23 0.00 0.00 178.31 177.44 2ayt h THR 107 N 0.00 1.26 0.24 4.41 2.02 -1.77 -1.67 112.91 117.40 2ayt h THR 107 Ca -0.00 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 2ayt h THR 107 Cb 0.56 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 2ayt h THR 107 CO 0.04 0.40 -0.12 0.74 0.37 0.00 0.00 175.52 176.95 2ayt h THR 108 N 0.79 0.77 0.08 3.16 2.02 -1.39 0.04 112.91 118.37 2ayt h THR 108 Ca 0.14 -0.06 0.02 0.00 0.77 0.00 0.00 66.41 67.28 2ayt h THR 108 Cb 0.57 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2ayt h THR 108 CO 0.03 0.01 -0.25 0.25 0.37 0.00 0.00 175.52 175.94 2ayt h LEU 109 N -0.36 -0.72 -0.40 2.58 5.85 -1.26 0.43 115.31 121.42 2ayt h LEU 109 Ca -0.03 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2ayt h LEU 109 Cb 0.27 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 2ayt h LEU 109 CO 0.06 -0.33 0.22 0.40 -0.34 0.00 0.00 178.44 178.44 2ayt h ILE 110 N -0.43 1.01 -0.73 4.05 1.08 -1.22 -1.09 117.51 120.18 2ayt h ILE 110 Ca 0.04 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.30 2ayt h ILE 110 Cb 0.48 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 2ayt h ILE 110 CO -0.17 0.08 0.24 0.78 -0.69 0.00 0.00 178.15 178.39 2ayt h ASN 111 N 0.45 1.04 -0.17 1.72 2.35 -0.80 -1.32 115.58 118.85 2ayt h ASN 111 Ca 0.16 -0.19 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2ayt h ASN 111 Cb 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 2ayt h ASN 111 CO -0.09 0.96 0.02 1.23 -1.65 0.00 0.00 177.43 177.90 2ayt h GLY 112 N 1.11 0.17 0.37 2.83 0.00 -0.49 0.53 103.07 107.59 2ayt h GLY 112 Ca 0.24 -0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.66 2ayt h GLY 112 CO -0.01 -0.01 0.25 -2.22 0.00 0.00 0.00 176.54 174.55 2ayt h ILE 113 N 0.08 0.77 -0.43 2.60 2.04 -0.76 -0.86 117.51 120.95 2ayt h ILE 113 Ca 0.08 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 2ayt h ILE 113 Cb 0.08 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 2ayt h ILE 113 CO -0.11 0.08 -0.01 -0.26 0.00 0.00 0.00 178.15 177.85 2ayt h PHE 114 N 0.44 0.84 -0.64 1.37 0.05 -0.55 0.84 116.94 119.29 2ayt h PHE 114 Ca 0.32 -0.15 -0.08 0.00 3.82 0.00 0.00 57.97 61.89 2ayt h PHE 114 Cb 0.40 -0.22 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 2ayt h PHE 114 CO -0.16 0.83 0.09 0.45 -0.18 0.00 0.00 178.31 179.35 2ayt h HIS 115 N 0.61 1.14 -0.50 -0.55 3.86 -0.50 -0.00 115.15 119.20 2ayt h HIS 115 Ca 0.12 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 2ayt h HIS 115 Cb 0.50 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.64 2ayt h HIS 115 CO 0.04 0.97 -0.00 0.28 0.86 0.00 0.00 177.93 180.08 2ayt h VAL 116 N 0.98 1.26 -0.89 2.45 2.07 -1.08 -2.30 116.25 118.75 2ayt h VAL 116 Ca 0.19 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2ayt h VAL 116 Cb 0.45 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2ayt h VAL 116 CO 0.01 0.38 0.57 -1.28 0.02 0.00 0.00 177.57 177.28 2ayt h SER 117 N 0.76 0.94 0.87 0.57 0.87 -0.42 -1.16 113.55 115.98 2ayt h SER 117 Ca 0.14 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2ayt h SER 117 Cb 0.52 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 2ayt h SER 117 CO 0.03 0.64 0.00 1.56 -0.53 0.00 0.00 176.83 178.53 2ayt h GLN 118 N 1.10 0.00 0.00 2.24 4.20 -0.66 0.21 115.11 122.20 2ayt h GLN 118 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 2ayt h GLN 118 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2ayt h GLN 118 CO -0.13 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.57 2ayt n ARG 119 N -2.35 0.00 -3.85 1.46 5.12 -0.44 -4.86 116.66 111.74 2ayt n ARG 119 Ca 0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.58 2ayt n ARG 119 Cb 0.27 -1.93 -0.07 0.00 -1.16 0.00 0.00 32.46 29.57 2ayt n ARG 119 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2ayt s LYS 120 N 0.00 3.70 0.23 5.56 1.02 -1.26 -5.00 119.74 123.99 2ayt s LYS 120 Ca 0.00 -0.18 -0.27 0.00 0.02 0.00 0.00 55.97 55.55 2ayt s LYS 120 Cb 0.00 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 33.97 2ayt s LYS 120 CO 0.00 0.60 0.87 -1.25 -0.92 0.00 0.00 175.35 174.64 2ayt s PRO 121 N -0.50 4.66 -0.34 -1.68 0.04 -1.26 -4.83 135.00 131.08 2ayt s PRO 121 Ca 0.12 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.40 2ayt s PRO 121 Cb -0.12 -3.15 -0.18 0.00 0.04 0.00 0.00 34.50 31.08 2ayt s PRO 121 CO 0.02 0.49 2.96 1.04 0.04 0.00 0.00 177.00 181.54 2ayt n GLN 122 N 1.29 2.00 -5.23 4.56 1.13 -1.26 -4.81 117.38 115.06 2ayt n GLN 122 Ca -0.03 -1.09 -0.31 0.00 -1.94 0.00 0.00 57.00 53.63 2ayt n GLN 122 Cb 0.48 -2.10 -0.16 0.00 0.11 0.00 0.00 30.24 28.58 2ayt n GLN 122 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2ayt s LEU 123 N 0.04 2.15 0.91 1.08 1.43 -1.26 -5.11 118.68 117.91 2ayt s LEU 123 Ca 0.56 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 53.08 2ayt s LEU 123 Cb 0.23 -1.38 0.05 0.00 0.03 0.00 0.00 46.19 45.12 2ayt s LEU 123 CO -0.01 0.29 0.64 -1.54 0.23 0.00 0.00 176.35 175.95 2ayt n SER 124 N 2.67 -1.23 0.13 2.29 3.41 -1.26 -4.75 113.62 114.89 2ayt n SER 124 Ca -0.17 0.40 0.03 0.00 -0.26 0.00 0.00 58.87 58.87 2ayt n SER 124 Cb 0.52 -1.29 0.40 0.00 -0.26 0.00 0.00 64.21 63.57 2ayt n SER 124 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2ayt h GLU 125 N -1.44 0.20 -0.24 4.33 4.57 -1.99 -2.28 114.58 117.73 2ayt h GLU 125 Ca -0.44 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2ayt h GLU 125 Cb 1.29 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 2ayt h GLU 125 CO 0.37 0.36 0.14 -0.22 -1.18 0.00 0.00 179.01 178.49 2ayt h LYS 126 N 0.19 0.33 0.13 1.92 3.64 -1.99 0.23 116.57 121.01 2ayt h LYS 126 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2ayt h LYS 126 Cb 0.40 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2ayt h LYS 126 CO 0.02 0.27 -0.06 1.15 -2.27 0.00 0.00 179.45 178.56 2ayt h THR 127 N 0.29 0.88 -0.69 1.00 2.02 -1.78 -2.38 112.91 112.25 2ayt h THR 127 Ca 0.09 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.25 2ayt h THR 127 Cb 0.03 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 2ayt h THR 127 CO -0.02 0.00 0.45 -0.07 0.37 0.00 0.00 175.52 176.26 2ayt h LEU 128 N -0.18 0.79 -0.53 2.58 3.38 -1.30 0.42 115.31 120.47 2ayt h LEU 128 Ca -0.02 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2ayt h LEU 128 Cb 0.14 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 2ayt h LEU 128 CO 0.03 0.57 0.19 -0.08 0.09 0.00 0.00 178.44 179.25 2ayt h GLU 129 N 0.93 0.37 0.05 1.13 4.57 -0.49 -2.16 114.58 118.98 2ayt h GLU 129 Ca 0.25 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 58.14 2ayt h GLU 129 Cb -0.10 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2ayt h GLU 129 CO -0.05 0.24 -1.42 1.25 -1.18 0.00 0.00 179.01 177.85 2ayt h LEU 130 N 0.38 0.16 -1.71 1.64 5.85 -0.90 -3.35 115.31 117.38 2ayt h LEU 130 Ca 0.26 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2ayt h LEU 130 Cb 0.28 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ayt h LEU 130 CO -0.26 1.19 -0.16 0.25 -0.34 0.00 0.00 178.44 179.12 2ayt h LEU 131 N 0.03 0.00 -1.31 2.25 5.85 0.07 -2.67 115.31 119.53 2ayt h LEU 131 Ca -0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2ayt h LEU 131 Cb 1.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2ayt h LEU 131 CO 0.13 0.16 0.00 0.06 -0.34 0.00 0.00 178.44 178.45 2ayt h GLN 132 N 0.00 0.00 -0.05 1.25 3.07 -1.53 -1.86 115.11 115.98 2ayt h GLN 132 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.64 2ayt h GLN 132 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.98 2ayt h GLN 132 CO 0.02 0.00 -0.41 0.28 0.09 0.00 0.00 178.83 178.81 2ayt h VAL 133 N 0.00 1.31 -2.09 1.86 2.07 -1.72 -3.43 116.25 114.25 2ayt h VAL 133 Ca 0.00 -1.48 -0.57 0.00 0.82 0.00 0.00 66.70 65.47 2ayt h VAL 133 Cb 0.14 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2ayt h VAL 133 CO 0.00 0.43 1.46 -0.69 0.02 0.00 0.00 177.57 178.79 2ayt s VAL 134 N -4.11 3.11 -0.07 2.57 1.01 -0.70 -4.80 120.40 117.40 2ayt s VAL 134 Ca -0.03 0.11 0.14 0.00 0.00 0.00 0.00 61.98 62.19 2ayt s VAL 134 Cb 0.14 -3.16 0.27 0.00 0.00 0.00 0.00 36.38 33.63 2ayt s VAL 134 CO 0.75 -0.11 1.13 -0.90 0.00 0.00 0.00 175.10 175.97 2ayt n ASP 135 N 11.89 1.14 -4.12 3.32 5.68 -1.26 -4.71 116.55 128.49 2ayt n ASP 135 Ca 0.29 -2.62 -0.28 0.00 -0.50 0.00 0.00 54.79 51.68 2ayt n ASP 135 Cb 0.47 -0.35 -0.17 0.00 -1.14 0.00 0.00 41.12 39.93 2ayt n ASP 135 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2ayt s ILE 136 N -1.27 1.55 -0.03 2.12 1.01 -1.26 -5.06 121.20 118.26 2ayt s ILE 136 Ca 0.24 -0.74 -0.36 0.00 0.00 0.00 0.00 60.65 59.80 2ayt s ILE 136 Cb 0.25 -1.36 -0.14 0.00 0.01 0.00 0.00 42.46 41.22 2ayt s ILE 136 CO -0.06 0.45 1.69 -0.81 0.00 0.00 0.00 174.94 176.21 2ayt n PRO 137 N 3.55 1.83 -5.04 2.79 -0.04 -1.26 -4.81 135.00 132.02 2ayt n PRO 137 Ca -0.20 0.67 -0.30 0.00 -0.04 0.00 0.00 63.50 63.62 2ayt n PRO 137 Cb 0.52 -2.43 -0.17 0.00 -0.04 0.00 0.00 33.50 31.38 2ayt n PRO 137 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ayt s ILE 138 N 2.57 1.85 -0.18 0.52 1.01 0.21 -5.01 121.20 122.16 2ayt s ILE 138 Ca 0.89 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2ayt s ILE 138 Cb -0.80 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.05 2ayt s ILE 138 CO 0.50 0.51 -0.08 -0.70 0.00 0.00 0.00 174.94 175.16 2ayt s GLU 139 N 0.45 3.37 -0.17 2.79 2.12 -1.26 -1.30 118.70 124.70 2ayt s GLU 139 Ca -0.17 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.46 2ayt s GLU 139 Cb -0.17 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 2ayt s GLU 139 CO 0.07 -0.03 -0.03 0.42 -0.54 0.00 0.00 175.26 175.15 2ayt s ILE 140 N 1.00 3.87 -0.14 -3.70 1.01 0.23 -0.69 121.20 122.78 2ayt s ILE 140 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2ayt s ILE 140 Cb -0.15 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 2ayt s ILE 140 CO -0.01 0.47 -0.15 0.26 0.00 0.00 0.00 174.94 175.51 2ayt s TRP 141 N 0.59 2.77 -0.29 3.97 0.51 0.46 0.80 118.94 127.76 2ayt s TRP 141 Ca -0.02 -0.93 -0.01 0.00 -2.12 0.00 0.00 56.10 53.02 2ayt s TRP 141 Cb -0.14 -1.86 0.05 0.00 -0.81 0.00 0.00 33.47 30.70 2ayt s TRP 141 CO 0.02 -0.40 -0.02 0.08 -0.51 0.00 0.00 176.95 176.13 2ayt s VAL 142 N 0.66 2.87 -0.09 4.03 1.01 0.66 -0.59 120.40 128.94 2ayt s VAL 142 Ca -0.08 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 2ayt s VAL 142 Cb -0.16 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2ayt s VAL 142 CO 0.02 -0.07 0.88 -0.36 0.00 0.00 0.00 175.10 175.57 2ayt s PHE 143 N 1.24 3.53 0.28 5.22 0.08 0.69 -0.22 117.98 128.80 2ayt s PHE 143 Ca -0.05 1.44 0.03 0.00 0.12 0.00 0.00 56.93 58.46 2ayt s PHE 143 Cb -0.20 -3.04 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 2ayt s PHE 143 CO -0.02 -0.12 0.17 0.14 -0.10 0.00 0.00 175.22 175.30 2ayt s VAL 144 N 1.58 0.19 0.03 -0.44 -7.23 0.17 -2.21 120.40 112.50 2ayt s VAL 144 Ca 0.44 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2ayt s VAL 144 Cb -0.18 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 2ayt s VAL 144 CO 0.18 0.00 -0.05 0.42 -0.31 0.00 0.00 175.10 175.34 2ayt s THR 145 N -3.71 0.28 -0.41 5.32 -4.23 -1.26 -0.42 115.64 111.22 2ayt s THR 145 Ca 0.37 -1.01 0.19 0.00 -1.18 0.00 0.00 61.69 60.06 2ayt s THR 145 Cb 0.05 -0.44 0.19 0.00 1.34 0.00 0.00 72.50 73.64 2ayt s THR 145 CO 0.18 -0.47 1.57 0.35 -0.54 0.00 0.00 174.62 175.71 2ayt n THR 146 N 1.49 1.14 -0.90 3.99 -2.24 -1.26 -2.01 114.28 114.49 2ayt n THR 146 Ca -0.23 0.58 0.08 0.00 -2.27 0.00 0.00 64.05 62.21 2ayt n THR 146 Cb 0.55 -1.55 0.25 0.00 -2.10 0.00 0.00 70.33 67.48 2ayt n THR 146 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ayt n SER 147 N -2.11 3.80 -4.41 3.42 3.41 -1.26 -0.22 113.62 116.25 2ayt n SER 147 Ca -0.00 -2.90 -0.44 0.00 -0.26 0.00 0.00 58.87 55.26 2ayt n SER 147 Cb 0.08 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2ayt n SER 147 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ayt h GLY 149 N 8.78 1.25 1.01 0.00 0.00 -1.91 -2.46 103.07 109.74 2ayt h GLY 149 Ca -0.28 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2ayt h GLY 149 CO 0.84 0.27 -0.14 -1.72 0.00 0.00 0.00 176.54 175.79 2ayt n TYR 150 N -4.50 0.00 -0.16 5.60 4.01 -1.26 -4.14 117.16 116.71 2ayt n TYR 150 Ca 0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.77 2ayt n TYR 150 Cb 0.23 -0.22 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2ayt n TYR 150 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ayt h PRO 152 N 0.75 0.67 0.20 0.00 0.11 -1.74 0.23 132.00 132.22 2ayt h PRO 152 Ca 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 2ayt h PRO 152 Cb 0.64 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2ayt h PRO 152 CO 0.04 0.44 -0.10 1.03 -0.21 0.00 0.00 178.00 179.21 2ayt h SER 153 N 0.69 -0.23 -0.31 -2.05 0.87 -1.80 -1.10 113.55 109.62 2ayt h SER 153 Ca 0.46 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.90 2ayt h SER 153 Cb 0.76 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2ayt h SER 153 CO -0.22 -0.07 -0.02 0.00 -0.53 0.00 0.00 176.83 175.99 2ayt h ALA 154 N 0.40 0.42 0.21 6.23 0.00 -1.32 -1.74 119.26 123.45 2ayt h ALA 154 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2ayt h ALA 154 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ayt h ALA 154 CO 0.05 0.19 -0.22 0.00 0.00 0.00 0.00 179.25 179.27 2ayt h ALA 155 N 0.83 -0.43 -0.73 0.00 0.00 -0.57 -0.77 119.26 117.59 2ayt h ALA 155 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2ayt h ALA 155 Cb 0.47 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2ayt h ALA 155 CO 0.02 -0.77 0.31 0.28 0.00 0.00 0.00 179.25 179.09 2ayt h VAL 156 N -0.46 1.24 -0.31 0.00 2.07 -1.23 -2.03 116.25 115.54 2ayt h VAL 156 Ca 0.00 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2ayt h VAL 156 Cb 0.43 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2ayt h VAL 156 CO -0.06 0.31 0.18 -0.03 0.02 0.00 0.00 177.57 177.98 2ayt h MET 157 N 1.06 0.35 -0.34 1.57 -1.53 -1.00 0.31 114.93 115.36 2ayt h MET 157 Ca 0.25 -0.02 0.06 0.00 -3.44 0.00 0.00 59.70 56.54 2ayt h MET 157 Cb 0.18 -0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 31.10 2ayt h MET 157 CO -0.02 0.23 0.02 0.00 0.14 0.00 0.00 176.91 177.28 2ayt h ALA 158 N 1.14 0.32 -0.18 0.39 0.00 -0.81 0.10 119.26 120.21 2ayt h ALA 158 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2ayt h ALA 158 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ayt h ALA 158 CO -0.06 -0.38 0.12 -1.49 0.00 0.00 0.00 179.25 177.44 2ayt h TRP 159 N 0.13 0.23 -0.39 0.00 6.55 -0.68 -1.22 115.95 120.57 2ayt h TRP 159 Ca 0.16 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.95 2ayt h TRP 159 Cb 0.21 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 2ayt h TRP 159 CO -0.22 0.15 0.00 -0.44 -1.05 0.00 0.00 178.44 176.89 2ayt h ASP 160 N 0.25 0.67 -0.33 -3.49 3.32 0.99 0.98 116.42 118.81 2ayt h ASP 160 Ca 0.07 -0.31 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 2ayt h ASP 160 Cb -0.02 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2ayt h ASP 160 CO -0.01 0.81 -0.01 -0.26 -1.72 0.00 0.00 179.24 178.05 2ayt h PHE 161 N 0.51 0.73 -0.58 4.55 0.04 -0.60 0.15 116.94 121.73 2ayt h PHE 161 Ca 0.11 -0.09 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 2ayt h PHE 161 Cb 0.47 -0.20 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 2ayt h PHE 161 CO 0.04 0.69 -0.00 0.00 -0.60 0.00 0.00 178.31 178.44 2ayt h ALA 162 N 1.35 0.79 -0.65 2.45 0.00 -0.93 -2.56 119.26 119.70 2ayt h ALA 162 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ayt h ALA 162 Cb 0.42 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ayt h ALA 162 CO 0.02 0.63 0.11 1.25 0.00 0.00 0.00 179.25 181.25 2ayt h LEU 163 N 0.93 1.04 -0.12 0.00 5.85 -0.12 -3.15 115.31 119.74 2ayt h LEU 163 Ca 0.17 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2ayt h LEU 163 Cb 0.56 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2ayt h LEU 163 CO 0.03 1.03 0.00 0.00 -0.34 0.00 0.00 178.44 179.16 2ayt n ALA 164 N -2.46 2.09 -3.68 1.25 0.00 0.46 -4.76 120.51 113.41 2ayt n ALA 164 Ca 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.31 2ayt n ALA 164 Cb 0.29 -1.42 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 2ayt n ALA 164 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayt s ASN 165 N -3.70 0.25 0.00 0.00 3.84 -0.99 -4.94 114.94 109.41 2ayt s ASN 165 Ca 0.10 0.54 0.05 0.00 0.21 0.00 0.00 52.86 53.76 2ayt s ASN 165 Cb 0.14 0.56 0.25 0.00 -0.55 0.00 0.00 41.25 41.65 2ayt s ASN 165 CO 0.48 -0.22 1.05 0.47 -2.79 0.00 0.00 177.10 176.09 2ayt n ASP 166 N 5.06 0.00 -0.11 -4.21 8.00 -1.26 -1.34 116.55 122.69 2ayt n ASP 166 Ca -0.11 0.29 0.10 0.00 0.71 0.00 0.00 54.79 55.79 2ayt n ASP 166 Cb 0.50 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 41.19 2ayt n ASP 166 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2ayt n TYR 167 N -1.35 0.00 -3.80 1.24 4.02 -1.26 -4.91 117.16 111.10 2ayt n TYR 167 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.56 2ayt n TYR 167 Cb 0.05 -0.02 -0.08 0.00 -0.02 0.00 0.00 39.34 39.27 2ayt n TYR 167 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2ayt s ILE 168 N -2.88 5.26 -0.12 -0.72 1.01 -0.45 -0.61 121.20 122.69 2ayt s ILE 168 Ca 0.11 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.92 2ayt s ILE 168 Cb 0.17 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2ayt s ILE 168 CO 0.79 0.45 -0.22 -0.89 0.00 0.00 0.00 174.94 175.08 2ayt s THR 169 N 0.31 2.21 -0.18 2.92 2.01 -0.42 -4.51 115.64 117.99 2ayt s THR 169 Ca 0.07 -0.95 0.01 0.00 0.31 0.00 0.00 61.69 61.13 2ayt s THR 169 Cb -0.11 -1.87 0.02 0.00 0.01 0.00 0.00 72.50 70.55 2ayt s THR 169 CO -0.01 0.55 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.84 2ayt s SER 170 N 0.53 3.11 -0.19 3.53 0.01 0.38 0.75 113.70 121.82 2ayt s SER 170 Ca -0.13 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.47 2ayt s SER 170 Cb -0.17 -1.43 0.01 0.00 0.21 0.00 0.00 66.02 64.64 2ayt s SER 170 CO 0.04 -0.02 -0.14 -0.54 0.41 0.00 0.00 173.24 173.00 2ayt s LYS 171 N 1.32 3.17 -0.37 12.44 1.02 0.24 -1.02 119.74 136.54 2ayt s LYS 171 Ca 0.04 -0.74 -0.17 0.00 0.02 0.00 0.00 55.97 55.12 2ayt s LYS 171 Cb -0.13 -2.73 0.00 0.00 -0.52 0.00 0.00 37.83 34.44 2ayt s LYS 171 CO -0.12 -0.16 0.48 0.08 -0.92 0.00 0.00 175.35 174.71 2ayt s VAL 172 N 1.26 5.05 -0.17 3.17 1.01 0.38 -0.24 120.40 130.85 2ayt s VAL 172 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 2ayt s VAL 172 Cb -0.14 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 2ayt s VAL 172 CO -0.07 -0.25 -0.10 -0.63 0.00 0.00 0.00 175.10 174.05 2ayt s ILE 173 N 2.30 3.12 -0.21 2.22 1.01 0.69 -0.03 121.20 130.30 2ayt s ILE 173 Ca 0.16 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 2ayt s ILE 173 Cb -0.16 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2ayt s ILE 173 CO 0.13 0.49 1.45 -0.62 0.00 0.00 0.00 174.94 176.39 2ayt s ASP 174 N 0.87 6.64 0.40 3.58 -1.08 -0.24 -0.65 116.67 126.18 2ayt s ASP 174 Ca -0.03 1.61 0.12 0.00 -0.52 0.00 0.00 52.55 53.73 2ayt s ASP 174 Cb -0.15 -2.54 0.82 0.00 -1.46 0.00 0.00 42.92 39.60 2ayt s ASP 174 CO 0.00 -1.04 1.90 0.00 0.52 0.00 0.00 175.17 176.55 2ayt h ALA 175 N 9.55 1.51 -0.02 3.66 0.00 -1.04 -1.98 119.26 130.94 2ayt h ALA 175 Ca -0.31 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2ayt h ALA 175 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ayt h ALA 175 CO 1.00 0.36 0.00 0.77 0.00 0.00 0.00 179.25 181.38 2ayt h SER 176 N 0.08 0.03 1.23 0.00 0.02 -1.90 -2.53 113.55 110.47 2ayt h SER 176 Ca 0.01 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2ayt h SER 176 Cb 0.47 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2ayt h SER 176 CO 0.03 0.27 0.00 -0.33 -1.14 0.00 0.00 176.83 175.66 2ayt h GLU 177 N -0.22 0.00 -1.95 3.45 5.08 -1.92 -3.29 114.58 115.73 2ayt h GLU 177 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.82 2ayt h GLU 177 Cb 0.26 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.09 2ayt h GLU 177 CO 0.00 0.00 -0.82 0.09 -1.00 0.00 0.00 179.01 177.28 2ayt n ASN 178 N -2.71 3.55 -0.26 1.42 3.02 -0.75 -4.90 115.26 114.64 2ayt n ASN 178 Ca 0.03 -3.48 0.08 0.00 -0.03 0.00 0.00 54.58 51.18 2ayt n ASN 178 Cb 0.35 -0.55 0.33 0.00 -0.61 0.00 0.00 39.78 39.31 2ayt n ASN 178 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 2ayt h GLN 179 N 2.90 0.79 -0.11 3.52 4.20 -1.54 -1.18 115.11 123.69 2ayt h GLN 179 Ca 0.14 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2ayt h GLN 179 Cb 0.75 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 2ayt h GLN 179 CO 0.74 0.52 -0.04 0.38 -0.67 0.00 0.00 178.83 179.76 2ayt h ASP 180 N 0.81 -0.13 -0.50 1.46 2.03 -1.90 0.27 116.42 118.46 2ayt h ASP 180 Ca 0.39 0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.68 2ayt h ASP 180 Cb 0.44 0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 2ayt h ASP 180 CO -0.16 -0.05 0.10 -0.07 -1.03 0.00 0.00 179.24 178.03 2ayt h LEU 181 N -0.02 0.77 -0.15 0.15 3.38 -1.82 -1.25 115.31 116.38 2ayt h LEU 181 Ca 0.06 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2ayt h LEU 181 Cb 0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 2ayt h LEU 181 CO -0.12 0.82 -0.15 0.00 0.09 0.00 0.00 178.44 179.08 2ayt h ALA 182 N 0.98 -0.05 -0.21 1.53 0.00 -0.70 -1.85 119.26 118.95 2ayt h ALA 182 Ca 0.15 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2ayt h ALA 182 Cb 0.37 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2ayt h ALA 182 CO 0.01 -0.60 0.03 0.93 0.00 0.00 0.00 179.25 179.62 2ayt h GLU 183 N -0.18 0.11 -1.28 0.00 5.08 -0.35 0.87 114.58 118.83 2ayt h GLU 183 Ca 0.10 -0.01 0.37 0.00 -1.00 0.00 0.00 59.36 58.83 2ayt h GLU 183 Cb 0.33 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 2ayt h GLU 183 CO -0.26 0.07 0.91 0.37 -1.00 0.00 0.00 179.01 179.10 2ayt h GLN 184 N 0.11 0.05 0.00 2.33 4.15 -0.43 0.23 115.11 121.54 2ayt h GLN 184 Ca 0.10 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 2ayt h GLN 184 Cb 0.10 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 2ayt h GLN 184 CO -0.14 0.03 -0.48 1.19 -1.93 0.00 0.00 178.83 177.50 2ayt n PHE 185 N -4.23 0.00 -3.94 3.99 3.01 -0.72 -4.99 117.46 110.59 2ayt n PHE 185 Ca 0.29 -1.29 -0.31 0.00 1.01 0.00 0.00 57.45 57.15 2ayt n PHE 185 Cb 1.31 -0.22 -0.01 0.00 -0.01 0.00 0.00 39.48 40.56 2ayt n PHE 185 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2ayt n GLN 186 N -0.97 -0.57 -2.74 -1.08 10.64 0.80 -4.83 117.38 118.63 2ayt n GLN 186 Ca 0.17 -0.08 -0.43 0.00 -1.83 0.00 0.00 57.00 54.83 2ayt n GLN 186 Cb 0.73 -1.68 -0.03 0.00 -0.86 0.00 0.00 30.24 28.40 2ayt n GLN 186 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2ayt s VAL 187 N -3.97 4.41 0.07 -0.39 1.01 0.16 -4.81 120.40 116.88 2ayt s VAL 187 Ca 0.27 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.30 2ayt s VAL 187 Cb -0.15 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2ayt s VAL 187 CO 0.69 -0.81 0.00 0.55 0.00 0.00 0.00 175.10 175.53 2ayt n VAL 188 N 6.43 0.82 -2.84 2.92 3.14 -1.26 -4.80 118.33 122.74 2ayt n VAL 188 Ca 0.09 0.27 -0.40 0.00 -2.96 0.00 0.00 64.34 61.34 2ayt n VAL 188 Cb 0.48 -1.39 -0.06 0.00 -1.06 0.00 0.00 33.84 31.82 2ayt n VAL 188 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2ayt s GLY 189 N -3.67 3.02 0.14 7.55 0.00 -1.26 -5.06 107.32 108.04 2ayt s GLY 189 Ca 0.00 0.51 0.08 0.00 0.00 0.00 0.00 44.72 45.31 2ayt s GLY 189 CO 0.00 1.12 -0.19 -1.34 0.00 0.00 0.00 173.10 172.68 2ayt s VAL 190 N -0.93 1.78 0.37 1.40 -7.23 -1.26 -3.94 120.40 110.60 2ayt s VAL 190 Ca 0.40 -1.80 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 2ayt s VAL 190 Cb -0.24 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.86 2ayt s VAL 190 CO 0.29 -0.23 1.09 -2.16 -0.31 0.00 0.00 175.10 173.78 2ayt s PRO 191 N -2.51 4.23 -0.20 4.82 0.04 -1.26 -4.78 135.00 135.33 2ayt s PRO 191 Ca 0.13 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 2ayt s PRO 191 Cb -0.07 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.76 2ayt s PRO 191 CO 0.06 -0.12 -0.12 0.21 0.04 0.00 0.00 177.00 177.07 2ayt s LYS 192 N -2.22 3.18 -0.20 4.56 2.47 -0.94 -0.11 119.74 126.48 2ayt s LYS 192 Ca 0.55 -0.73 -0.08 0.00 -1.56 0.00 0.00 55.97 54.15 2ayt s LYS 192 Cb -0.26 -2.81 -0.04 0.00 -1.46 0.00 0.00 37.83 33.26 2ayt s LYS 192 CO 0.33 -0.21 0.08 0.42 0.16 0.00 0.00 175.35 176.14 2ayt s ILE 193 N 1.39 4.86 -0.07 5.43 1.09 0.06 -0.22 121.20 133.73 2ayt s ILE 193 Ca 0.05 -0.00 0.06 0.00 -1.10 0.00 0.00 60.65 59.65 2ayt s ILE 193 Cb -0.14 -3.21 -0.01 0.00 -1.06 0.00 0.00 42.46 38.04 2ayt s ILE 193 CO -0.08 0.42 -0.25 -0.69 -0.10 0.00 0.00 174.94 174.25 2ayt s VAL 194 N 0.65 2.06 -0.09 2.92 1.01 0.24 -1.39 120.40 125.80 2ayt s VAL 194 Ca 0.04 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.01 2ayt s VAL 194 Cb -0.13 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2ayt s VAL 194 CO 0.01 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 174.85 2ayt s ILE 195 N -0.03 2.44 -1.58 2.22 1.01 -0.09 -0.40 121.20 124.78 2ayt s ILE 195 Ca -0.08 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2ayt s ILE 195 Cb -0.15 -1.95 0.08 0.00 0.01 0.00 0.00 42.46 40.45 2ayt s ILE 195 CO 0.05 0.56 0.51 0.59 0.00 0.00 0.00 174.94 176.65 2ayt n ASN 196 N 3.17 -1.42 -3.23 3.58 5.03 0.13 -1.73 115.26 120.80 2ayt n ASN 196 Ca -0.18 -1.06 -0.23 0.00 0.87 0.00 0.00 54.58 53.98 2ayt n ASN 196 Cb 0.52 -2.62 0.02 0.00 -1.02 0.00 0.00 39.78 36.68 2ayt n ASN 196 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 2ayt n LYS 197 N -4.40 -4.22 0.00 3.52 5.02 -1.26 -3.33 118.16 113.49 2ayt n LYS 197 Ca -0.13 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 2ayt n LYS 197 Cb 0.60 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 2ayt n LYS 197 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ayt n GLY 198 N -1.36 1.25 0.35 0.72 0.00 -0.84 -4.98 105.19 100.32 2ayt n GLY 198 Ca -0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 2ayt n GLY 198 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2ayt h VAL 199 N 0.00 0.94 -2.90 1.61 2.07 -1.33 -3.43 116.25 113.20 2ayt h VAL 199 Ca 0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2ayt h VAL 199 Cb 0.00 -0.11 -0.18 0.00 -1.52 0.00 0.00 31.29 29.48 2ayt h VAL 199 CO 0.00 0.18 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 2ayt s ALA 200 N -5.99 -1.05 -0.04 1.67 0.00 -1.19 -5.04 121.76 110.12 2ayt s ALA 200 Ca -0.12 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.15 2ayt s ALA 200 Cb 0.21 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.60 2ayt s ALA 200 CO 0.80 -0.40 0.27 -1.21 0.00 0.00 0.00 175.76 175.22 2ayt s GLU 201 N -2.06 0.54 0.10 0.00 2.02 -1.26 -0.91 118.70 117.12 2ayt s GLU 201 Ca -0.08 -0.07 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 2ayt s GLU 201 Cb -0.02 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.48 2ayt s GLU 201 CO 0.01 -0.13 0.33 -0.59 0.02 0.00 0.00 175.26 174.89 2ayt s PHE 202 N -0.94 -0.09 -0.00 1.61 -0.71 -0.49 -5.01 117.98 112.35 2ayt s PHE 202 Ca -0.10 -0.21 0.06 0.00 -1.04 0.00 0.00 56.93 55.63 2ayt s PHE 202 Cb -0.05 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.87 2ayt s PHE 202 CO 0.03 -0.62 -0.17 0.08 -1.34 0.00 0.00 175.22 173.20 2ayt s VAL 203 N -3.53 2.81 0.00 -2.49 1.01 -1.26 -0.76 120.40 116.17 2ayt s VAL 203 Ca 0.02 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2ayt s VAL 203 Cb 0.02 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2ayt s VAL 203 CO -0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2ayt n GLY 204 N 1.97 -1.07 3.66 4.51 0.00 0.84 -4.95 105.19 110.15 2ayt n GLY 204 Ca -0.16 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 43.89 2ayt n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ayt n ALA 205 N -0.95 0.20 -2.63 4.61 0.00 -1.26 -4.88 120.51 115.60 2ayt n ALA 205 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 53.44 53.12 2ayt n ALA 205 Cb 0.00 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.13 2ayt n ALA 205 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ayt s GLN 206 N -3.53 0.77 0.47 0.00 -1.52 -1.26 -5.04 119.66 109.56 2ayt s GLN 206 Ca 0.76 -1.01 -0.22 0.00 -1.95 0.00 0.00 55.36 52.94 2ayt s GLN 206 Cb -0.34 -0.58 -0.07 0.00 -0.22 0.00 0.00 33.01 31.80 2ayt s GLN 206 CO 0.48 0.11 1.12 -2.14 -0.25 0.00 0.00 175.29 174.61 2ayt s PRO 207 N -2.20 3.74 0.24 2.91 0.02 -1.26 -4.80 135.00 133.65 2ayt s PRO 207 Ca -0.00 1.65 -0.10 0.00 0.02 0.00 0.00 61.00 62.57 2ayt s PRO 207 Cb -0.07 -2.30 0.37 0.00 0.02 0.00 0.00 34.50 32.52 2ayt s PRO 207 CO 0.01 -0.54 1.61 1.49 -0.33 0.00 0.00 177.00 179.24 2ayt h GLU 208 N 1.88 0.03 -0.18 5.54 4.81 -2.00 0.12 114.58 124.77 2ayt h GLU 208 Ca -0.49 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2ayt h GLU 208 Cb 1.24 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2ayt h GLU 208 CO 0.60 0.02 0.02 -0.97 -0.73 0.00 0.00 179.01 177.95 2ayt h ASN 209 N 0.03 0.23 -0.21 1.04 -0.00 -1.99 -1.33 115.58 113.34 2ayt h ASN 209 Ca 0.39 -0.02 -0.07 0.00 -0.00 0.00 0.00 56.30 56.60 2ayt h ASN 209 Cb 0.64 -0.06 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 2ayt h ASN 209 CO -0.76 0.26 -0.13 0.00 -0.00 0.00 0.00 177.43 176.80 2ayt h ALA 210 N 1.78 0.30 0.25 1.57 0.00 -1.13 0.39 119.26 122.42 2ayt h ALA 210 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2ayt h ALA 210 Cb 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ayt h ALA 210 CO 0.00 0.17 -0.16 0.35 0.00 0.00 0.00 179.25 179.62 2ayt h PHE 211 N 0.16 -0.40 -0.84 0.00 3.04 -0.96 -0.28 116.94 117.66 2ayt h PHE 211 Ca 0.04 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.11 2ayt h PHE 211 Cb 0.65 0.14 -0.08 0.00 2.56 0.00 0.00 35.95 39.22 2ayt h PHE 211 CO 0.07 -0.24 0.45 1.25 -2.02 0.00 0.00 178.31 177.82 2ayt h LEU 212 N -0.39 0.60 -0.36 0.59 5.85 -1.26 -0.25 115.31 120.09 2ayt h LEU 212 Ca -0.02 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2ayt h LEU 212 Cb 0.33 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2ayt h LEU 212 CO 0.02 0.31 -0.05 1.23 -0.34 0.00 0.00 178.44 179.61 2ayt h GLY 213 N 0.71 0.31 0.93 3.75 0.00 0.18 0.24 103.07 109.20 2ayt h GLY 213 Ca 0.43 0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.85 2ayt h GLY 213 CO -0.30 -0.11 0.04 -0.97 0.00 0.00 0.00 176.54 175.19 2ayt h TYR 214 N 0.05 0.07 -0.74 5.60 -1.99 0.55 -1.24 116.97 119.26 2ayt h TYR 214 Ca 0.18 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.97 2ayt h TYR 214 Cb 0.26 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 38.92 2ayt h TYR 214 CO -0.29 0.04 0.44 0.82 -0.00 0.00 0.00 178.16 179.17 2ayt h ILE 215 N 0.09 1.00 -0.03 -2.88 2.04 -0.31 -1.68 117.51 115.75 2ayt h ILE 215 Ca 0.04 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 2ayt h ILE 215 Cb 0.02 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2ayt h ILE 215 CO -0.04 0.15 -0.49 0.24 0.00 0.00 0.00 178.15 178.00 2ayt h MET 216 N 0.81 0.07 -0.33 2.37 2.86 -0.29 -0.79 114.93 119.62 2ayt h MET 216 Ca 0.33 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.84 2ayt h MET 216 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2ayt h MET 216 CO -0.17 0.55 -0.16 0.00 1.06 0.00 0.00 176.91 178.18 2ayt h ALA 217 N 1.45 0.47 -0.50 6.32 0.00 -0.58 -1.19 119.26 125.22 2ayt h ALA 217 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2ayt h ALA 217 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 2ayt h ALA 217 CO 0.07 0.38 0.10 0.28 0.00 0.00 0.00 179.25 180.08 2ayt h VAL 218 N 0.47 1.25 0.20 0.00 2.07 -1.16 -2.03 116.25 117.04 2ayt h VAL 218 Ca 0.07 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.70 2ayt h VAL 218 Cb 0.70 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2ayt h VAL 218 CO 0.05 0.32 -0.34 0.22 0.02 0.00 0.00 177.57 177.84 2ayt h TYR 219 N 0.70 -0.94 -0.86 1.57 3.20 -0.94 0.82 116.97 120.53 2ayt h TYR 219 Ca 0.15 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.13 2ayt h TYR 219 Cb 0.37 0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 2ayt h TYR 219 CO 0.03 -0.46 0.51 1.49 -1.64 0.00 0.00 178.16 178.08 2ayt h GLU 220 N -0.62 0.83 0.16 1.82 4.81 -1.15 0.16 114.58 120.60 2ayt h GLU 220 Ca 0.01 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2ayt h GLU 220 Cb 0.62 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ayt h GLU 220 CO -0.15 0.55 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.38 2ayt h LYS 221 N 0.85 -0.21 -0.73 1.92 1.63 -0.79 -1.95 116.57 117.28 2ayt h LYS 221 Ca 0.41 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2ayt h LYS 221 Cb 0.35 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 2ayt h LYS 221 CO -0.24 -0.11 0.33 -0.07 -3.45 0.00 0.00 179.45 175.90 2ayt h LEU 222 N -0.26 0.97 -1.12 5.20 3.38 -0.05 0.35 115.31 123.79 2ayt h LEU 222 Ca -0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2ayt h LEU 222 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2ayt h LEU 222 CO 0.04 0.84 0.01 0.50 0.09 0.00 0.00 178.44 179.92 2ayt h LYS 223 N 1.05 0.63 0.00 1.13 3.64 -0.54 -3.17 116.57 119.31 2ayt h LYS 223 Ca 0.25 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.33 2ayt h LYS 223 Cb 0.15 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2ayt h LYS 223 CO -0.03 0.64 -1.33 0.00 -2.27 0.00 0.00 179.45 176.46 2ayt h ARG 224 N 0.60 0.00 0.00 1.90 2.47 -0.96 -3.36 114.38 115.03 2ayt h ARG 224 Ca 0.13 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2ayt h ARG 224 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2ayt h ARG 224 CO 0.01 0.30 0.00 1.05 0.56 0.00 0.00 179.97 181.89 2ayt h GLU 225 N 0.00 0.00 -0.18 0.04 4.11 -0.90 -1.71 114.58 115.94 2ayt h GLU 225 Ca -0.15 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 2ayt h GLU 225 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2ayt h GLU 225 CO 0.05 0.00 -0.31 0.87 0.07 0.00 0.00 179.01 179.68 2ayt h LYS 226 N 0.00 0.53 -6.91 1.06 1.57 -1.70 -3.45 116.57 107.66 2ayt h LYS 226 Ca 0.00 -0.33 -0.55 0.00 -1.87 0.00 0.00 60.65 57.90 2ayt h LYS 226 Cb 0.17 0.04 0.12 0.00 0.08 0.00 0.00 32.23 32.64 2ayt h LYS 226 CO 0.00 0.93 0.60 0.39 -0.57 0.00 0.00 179.45 180.81 2ayt n GLU 227 N -4.35 2.10 -3.95 3.15 1.02 -0.64 -5.02 120.64 112.95 2ayt n GLU 227 Ca -0.06 0.75 -0.24 0.00 -0.02 0.00 0.00 57.16 57.59 2ayt n GLU 227 Cb 0.48 -2.52 -0.03 0.00 -0.02 0.00 0.00 31.44 29.36 2ayt n GLU 227 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ayt s GLN 228 N -2.34 3.44 0.20 3.49 -1.52 -1.26 -5.05 119.66 116.62 2ayt s GLN 228 Ca 0.61 -0.67 0.02 0.00 -1.95 0.00 0.00 55.36 53.37 2ayt s GLN 228 Cb -0.48 -2.93 -0.05 0.00 -0.22 0.00 0.00 33.01 29.33 2ayt s GLN 228 CO 0.58 0.48 0.02 0.00 -0.25 0.00 0.00 175.29 176.12 2ayt s ALA 229 N -1.84 1.49 0.38 6.09 0.00 -1.26 -5.17 121.76 121.44 2ayt s ALA 229 Ca 0.34 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.71 2ayt s ALA 229 Cb -0.10 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2ayt s ALA 229 CO 0.29 -0.35 0.20 -0.51 0.00 0.00 0.00 175.76 175.39 2ayt s LEU 230 N -3.22 3.23 0.00 0.00 1.43 -1.26 -5.32 118.68 113.55 2ayt s LEU 230 Ca 0.28 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2ayt s LEU 230 Cb 0.06 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.60 2ayt s LEU 230 CO 0.07 -0.45 0.00 -0.62 0.23 0.00 0.00 176.35 175.58