#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yye n GLY -5 N 0.00 -2.30 0.52 -0.02 0.00 -1.26 -5.40 105.19 96.72 2yye n GLY -5 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2yye n GLY -5 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2yye n ILE -4 N 0.21 0.03 -0.51 -0.61 0.13 -1.26 -5.44 119.36 111.90 2yye n ILE -4 Ca 0.00 0.00 -0.17 0.00 -1.10 0.00 0.00 62.75 61.48 2yye n ILE -4 Cb 0.00 -0.43 0.15 0.00 -0.84 0.00 0.00 39.64 38.53 2yye n ILE -4 CO 0.00 0.00 0.00 1.15 2.80 0.00 0.00 176.55 180.50 2yye n MET 1 N 0.11 -2.87 -1.69 9.51 0.00 -1.26 -5.42 117.12 115.50 2yye n MET 1 Ca 0.00 -0.93 -0.41 0.00 0.00 0.00 0.00 57.70 56.37 2yye n MET 1 Cb 0.21 -1.00 0.02 0.00 0.00 0.00 0.00 33.22 32.45 2yye n MET 1 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2yye n VAL 2 N -4.20 2.73 -3.61 3.17 0.24 -1.26 -4.97 118.33 110.43 2yye n VAL 2 Ca 0.08 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.34 61.61 2yye n VAL 2 Cb 0.34 -1.50 -0.10 0.00 -1.47 0.00 0.00 33.84 31.11 2yye n VAL 2 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 2yye n GLU 3 N -0.11 2.09 -0.34 7.34 2.13 -1.26 -4.67 120.64 125.81 2yye n GLU 3 Ca 0.08 -4.49 0.10 0.00 0.66 0.00 0.00 57.16 53.51 2yye n GLU 3 Cb 0.40 -2.21 0.30 0.00 0.27 0.00 0.00 31.44 30.21 2yye n GLU 3 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2yye h LEU 4 N 4.72 0.83 -1.91 4.31 3.38 -1.83 -2.75 115.31 122.06 2yye h LEU 4 Ca 0.18 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.29 2yye h LEU 4 Cb 0.72 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2yye h LEU 4 CO 0.76 0.38 0.23 -0.07 0.09 0.00 0.00 178.44 179.83 2yye h LEU 5 N 0.85 0.10 0.00 1.67 4.07 -1.89 -1.55 115.31 118.56 2yye h LEU 5 Ca 0.52 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.48 2yye h LEU 5 Cb 0.70 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.42 2yye h LEU 5 CO -0.30 0.06 0.00 0.29 -1.08 0.00 0.00 178.44 177.41 2yye n LYS 6 N -4.46 0.22 -0.28 1.13 5.02 -1.04 -2.24 118.16 116.50 2yye n LYS 6 Ca 0.04 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.56 2yye n LYS 6 Cb 0.33 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.11 2yye n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2yye n LEU 7 N -1.32 3.32 -4.55 -0.35 4.77 -0.58 -4.86 117.00 113.42 2yye n LEU 7 Ca 0.08 -1.60 -0.34 0.00 -0.03 0.00 0.00 56.01 54.12 2yye n LEU 7 Cb 0.16 -0.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 2yye n LEU 7 CO 0.15 0.80 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.95 2yye s VAL 8 N -1.26 3.78 -0.15 4.08 1.01 -0.95 -4.40 120.40 122.51 2yye s VAL 8 Ca 0.41 -0.43 -0.35 0.00 0.00 0.00 0.00 61.98 61.61 2yye s VAL 8 Cb 0.22 -2.59 -0.12 0.00 0.00 0.00 0.00 36.38 33.89 2yye s VAL 8 CO 0.30 0.56 1.89 0.54 0.00 0.00 0.00 175.10 178.39 2yye n ARG 9 N 2.71 1.90 -0.95 2.72 1.74 -1.26 -4.84 116.66 118.68 2yye n ARG 9 Ca -0.18 0.68 -0.33 0.00 -0.77 0.00 0.00 57.85 57.25 2yye n ARG 9 Cb 0.53 -2.55 -0.02 0.00 -1.02 0.00 0.00 32.46 29.40 2yye n ARG 9 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2yye n SER 10 N 6.84 -0.77 -3.25 0.55 7.64 -1.26 -4.05 113.62 119.32 2yye n SER 10 Ca 0.25 0.76 -0.13 0.00 1.01 0.00 0.00 58.87 60.77 2yye n SER 10 Cb 0.26 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 62.83 2yye n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yye n SER 11 N 1.32 -6.83 0.00 6.43 7.64 -1.26 -5.02 113.62 115.90 2yye n SER 11 Ca 0.12 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2yye n SER 11 Cb 0.16 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.37 2yye n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yye n GLY 12 N -1.23 1.21 0.00 0.23 0.00 -1.26 -3.83 105.19 100.31 2yye n GLY 12 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.79 2yye n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yye n ALA 14 N -1.86 1.47 -0.45 0.00 0.00 -1.26 -4.78 120.51 113.64 2yye n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2yye n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2yye n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yye n ALA 15 N 0.00 0.00 -0.65 0.00 0.00 -1.26 -4.75 120.51 113.85 2yye n ALA 15 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2yye n ALA 15 Cb 0.46 -0.56 0.24 0.00 0.00 0.00 0.00 19.45 19.59 2yye n ALA 15 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2yye s LYS 16 N -0.46 -0.67 -0.61 0.00 1.02 -1.26 -4.99 119.74 112.77 2yye s LYS 16 Ca 0.00 0.82 0.05 0.00 0.02 0.00 0.00 55.97 56.85 2yye s LYS 16 Cb 0.00 -1.58 0.33 0.00 -0.52 0.00 0.00 37.83 36.05 2yye s LYS 16 CO 0.00 -3.55 0.96 0.28 -0.92 0.00 0.00 175.35 172.11 2yye n VAL 17 N -4.79 3.11 0.00 3.17 0.31 -1.26 -5.07 118.33 113.80 2yye n VAL 17 Ca 0.04 -5.56 0.00 0.00 -0.01 0.00 0.00 64.34 58.81 2yye n VAL 17 Cb 0.55 -1.50 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 2yye n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yye n GLY 18 N -0.09 0.15 0.00 2.92 0.00 -1.26 -4.87 105.19 102.04 2yye n GLY 18 Ca 0.31 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2yye n GLY 18 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2yye n PRO 19 N 0.77 1.91 0.00 1.61 -0.02 -1.26 -4.50 135.00 133.52 2yye n PRO 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2yye n PRO 19 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2yye n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2yye n GLY 20 N 3.50 0.00 0.52 -1.23 0.00 -1.26 0.10 105.19 106.82 2yye n GLY 20 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.34 2yye n GLY 20 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2yye h ASP 21 N 0.00 0.00 0.00 1.61 3.04 -1.98 -2.39 116.42 116.70 2yye h ASP 21 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2yye h ASP 21 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2yye h ASP 21 CO 0.00 0.00 0.00 -0.11 -2.04 0.00 0.00 179.24 177.09 2yye n LEU 22 N -3.72 0.00 0.00 0.15 0.00 0.11 -1.89 117.00 111.65 2yye n LEU 22 Ca 0.23 0.74 0.00 0.00 0.00 0.00 0.00 56.01 56.98 2yye n LEU 22 Cb 1.30 -0.24 0.00 0.00 0.00 0.00 0.00 43.42 44.48 2yye n LEU 22 CO 0.32 -0.24 0.29 1.67 0.00 0.00 0.00 177.39 179.44 2yye n GLN 23 N -1.21 0.00 0.01 1.96 7.27 -0.93 -0.54 117.38 123.93 2yye n GLN 23 Ca 0.00 0.11 -0.18 0.00 0.07 0.00 0.00 57.00 57.00 2yye n GLN 23 Cb 0.00 -1.52 -0.14 0.00 2.41 0.00 0.00 30.24 30.99 2yye n GLN 23 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2yye h GLU 24 N 0.00 0.21 0.69 3.69 4.57 -1.20 -3.20 114.58 119.34 2yye h GLU 24 Ca 0.00 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 57.79 2yye h GLU 24 Cb 0.03 0.13 0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2yye h GLU 24 CO 0.00 1.04 -0.33 0.82 -1.18 0.00 0.00 179.01 179.35 2yye h ILE 25 N 0.06 0.32 -1.05 2.32 2.04 -0.09 -2.50 117.51 118.61 2yye h ILE 25 Ca -0.37 -0.01 0.27 0.00 1.00 0.00 0.00 64.86 65.75 2yye h ILE 25 Cb 2.03 0.32 -0.10 0.00 -0.74 0.00 0.00 36.82 38.34 2yye h ILE 25 CO 0.10 0.00 0.67 -0.07 0.00 0.00 0.00 178.15 178.84 2yye h LEU 26 N -0.94 0.47 -1.98 1.44 -0.00 -1.70 0.30 115.31 112.89 2yye h LEU 26 Ca -0.09 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2yye h LEU 26 Cb 0.71 0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2yye h LEU 26 CO 0.16 0.08 -0.03 0.50 -0.00 0.00 0.00 178.44 179.14 2yye h LYS 27 N 0.40 0.00 0.00 1.13 1.63 -1.44 -2.11 116.57 116.18 2yye h LYS 27 Ca 0.61 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.41 2yye h LYS 27 Cb 1.51 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 2yye h LYS 27 CO -0.32 0.03 0.00 0.41 -3.45 0.00 0.00 179.45 176.12 2yye n GLY 28 N -1.41 -0.93 3.96 5.01 0.00 0.09 -4.85 105.19 107.07 2yye n GLY 28 Ca -0.03 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2yye n GLY 28 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2yye s PHE 29 N -2.24 3.44 -0.61 1.61 0.08 -0.80 -5.06 117.98 114.40 2yye s PHE 29 Ca 0.32 0.07 -0.16 0.00 0.12 0.00 0.00 56.93 57.27 2yye s PHE 29 Cb 0.17 -1.69 0.14 0.00 -0.57 0.00 0.00 43.02 41.07 2yye s PHE 29 CO 0.33 0.31 0.59 1.21 -0.10 0.00 0.00 175.22 177.57 2yye s ASN 30 N -4.01 6.30 -0.13 1.36 2.47 -1.26 -5.04 114.94 114.62 2yye s ASN 30 Ca 0.36 -1.89 -0.17 0.00 0.42 0.00 0.00 52.86 51.58 2yye s ASN 30 Cb -0.09 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.44 2yye s ASN 30 CO 0.31 -0.86 0.44 -0.63 -3.72 0.00 0.00 177.10 172.64 2yye s ILE 31 N 1.56 5.21 0.15 -5.21 1.01 -1.26 -5.05 121.20 117.61 2yye s ILE 31 Ca 0.08 0.87 -0.31 0.00 0.00 0.00 0.00 60.65 61.29 2yye s ILE 31 Cb -0.25 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.35 2yye s ILE 31 CO 0.01 0.33 1.39 -0.47 0.00 0.00 0.00 174.94 176.21 2yye s TYR 32 N 0.64 3.21 0.22 3.97 5.04 -1.26 -4.99 117.35 124.18 2yye s TYR 32 Ca 0.24 0.99 -0.08 0.00 -2.44 0.00 0.00 57.07 55.77 2yye s TYR 32 Cb -0.15 -3.70 -0.02 0.00 0.35 0.00 0.00 41.96 38.45 2yye s TYR 32 CO 0.09 -2.40 0.34 0.95 -1.34 0.00 0.00 175.55 173.19 2yye s THR 33 N 0.78 0.01 0.00 4.34 -4.23 -1.26 -5.17 115.64 110.10 2yye s THR 33 Ca 0.63 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 2yye s THR 33 Cb -0.38 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2yye s THR 33 CO 0.33 -0.03 0.00 -0.90 -0.54 0.00 0.00 174.62 173.48 2yye n ASP 34 N -0.33 0.04 0.23 3.99 5.68 -1.26 -5.04 116.55 119.86 2yye n ASP 34 Ca -0.01 -0.79 0.15 0.00 -0.50 0.00 0.00 54.79 53.65 2yye n ASP 34 Cb 0.63 0.00 0.59 0.00 -1.14 0.00 0.00 41.12 41.20 2yye n ASP 34 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2yye h GLU 35 N 0.00 0.00 0.00 0.11 4.11 -2.03 -2.86 114.58 113.92 2yye h GLU 35 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2yye h GLU 35 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yye h GLU 35 CO 0.00 0.00 -0.63 0.77 0.07 0.00 0.00 179.01 179.22 2yye h SER 36 N 0.00 0.00 -2.30 3.06 0.02 -1.97 -3.45 113.55 108.91 2yye h SER 36 Ca 0.00 -0.04 -0.52 0.00 -0.84 0.00 0.00 61.79 60.38 2yye h SER 36 Cb 0.52 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 2yye h SER 36 CO 0.00 0.02 1.27 -0.89 -1.14 0.00 0.00 176.83 176.09 2yye s THR 37 N -3.28 3.49 -0.15 -2.27 2.01 -1.08 -1.28 115.64 113.09 2yye s THR 37 Ca 0.03 0.37 -0.20 0.00 0.31 0.00 0.00 61.69 62.20 2yye s THR 37 Cb 0.09 -4.05 -0.24 0.00 0.01 0.00 0.00 72.50 68.31 2yye s THR 37 CO 0.74 -0.93 0.46 -0.07 -0.69 0.00 0.00 174.62 174.13 2yye h LEU 38 N 15.05 0.18 -7.56 4.42 4.07 -1.36 -3.46 115.31 126.65 2yye h LEU 38 Ca -0.28 -0.76 -0.48 0.00 0.08 0.00 0.00 57.88 56.45 2yye h LEU 38 Cb 1.14 -0.06 -0.38 0.00 1.08 0.00 0.00 40.66 42.45 2yye h LEU 38 CO 1.18 1.48 -0.78 -0.69 -1.08 0.00 0.00 178.44 178.55 2yye s VAL 39 N -2.40 0.66 0.00 1.22 1.01 -0.90 -4.94 120.40 115.05 2yye s VAL 39 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2yye s VAL 39 Cb 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.63 2yye s VAL 39 CO 0.69 0.27 0.00 -0.24 0.00 0.00 0.00 175.10 175.82 2yye n SER 40 N 5.05 0.18 -4.50 3.32 2.88 -1.26 -1.07 113.62 118.23 2yye n SER 40 Ca -0.09 -0.14 -0.57 0.00 -1.33 0.00 0.00 58.87 56.74 2yye n SER 40 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 2yye n SER 40 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2yye n ILE 41 N -0.12 0.29 0.00 2.46 5.41 -1.26 -4.07 119.36 122.07 2yye n ILE 41 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 2yye n ILE 41 Cb 0.00 -0.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 2yye n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2yye n GLY 42 N 1.66 1.28 0.27 7.39 0.00 -1.26 -5.09 105.19 109.44 2yye n GLY 42 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 2yye n GLY 42 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2yye n ASP 43 N 0.00 1.10 0.19 1.61 -0.08 -1.26 -5.01 116.55 113.10 2yye n ASP 43 Ca 0.00 -1.13 0.04 0.00 -1.51 0.00 0.00 54.79 52.19 2yye n ASP 43 Cb 0.00 -0.00 0.36 0.00 2.34 0.00 0.00 41.12 43.82 2yye n ASP 43 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2yye h ASP 44 N 0.05 0.00 -5.05 1.67 5.19 -1.92 -3.45 116.42 112.90 2yye h ASP 44 Ca -0.02 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.30 2yye h ASP 44 Cb 0.09 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 39.43 2yye h ASP 44 CO 0.04 0.39 -0.23 0.00 -3.12 0.00 0.00 179.24 176.32 2yye s ALA 45 N -3.94 -0.71 0.36 3.45 0.00 -1.26 -4.83 121.76 114.83 2yye s ALA 45 Ca -0.02 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2yye s ALA 45 Cb 0.13 0.34 -0.10 0.00 0.00 0.00 0.00 23.12 23.49 2yye s ALA 45 CO 0.71 -0.43 0.88 0.20 0.00 0.00 0.00 175.76 177.12 2yye s GLY 46 N -2.09 2.49 -0.13 0.00 0.00 -0.06 -4.84 107.32 102.68 2yye s GLY 46 Ca -0.05 0.33 0.02 0.00 0.00 0.00 0.00 44.72 45.02 2yye s GLY 46 CO -0.04 0.64 -0.19 0.14 0.00 0.00 0.00 173.10 173.66 2yye s VAL 47 N -1.95 1.81 -0.06 1.40 1.01 -0.23 -1.09 120.40 121.29 2yye s VAL 47 Ca 0.56 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.73 2yye s VAL 47 Cb -0.12 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2yye s VAL 47 CO 0.17 0.50 -0.06 -0.47 0.00 0.00 0.00 175.10 175.24 2yye s TYR 48 N 0.99 0.96 -0.08 5.22 5.04 0.23 -0.98 117.35 128.74 2yye s TYR 48 Ca -0.04 -0.32 -0.11 0.00 -2.44 0.00 0.00 57.07 54.16 2yye s TYR 48 Cb -0.15 -0.82 -0.05 0.00 0.35 0.00 0.00 41.96 41.30 2yye s TYR 48 CO -0.04 -0.26 0.26 -2.00 -1.34 0.00 0.00 175.55 172.18 2yye s GLU 49 N 1.06 3.74 -0.26 4.97 2.12 -0.40 -0.22 118.70 129.71 2yye s GLU 49 Ca -0.08 0.10 -0.17 0.00 0.36 0.00 0.00 54.97 55.18 2yye s GLU 49 Cb -0.14 -3.24 0.07 0.00 0.26 0.00 0.00 34.13 31.09 2yye s GLU 49 CO -0.01 0.67 0.65 -1.58 -0.54 0.00 0.00 175.26 174.45 2yye s HIS 50 N -0.83 -0.93 -1.44 5.30 2.46 0.61 -4.71 115.29 115.76 2yye s HIS 50 Ca 0.18 1.95 -0.09 0.00 0.47 0.00 0.00 55.06 57.57 2yye s HIS 50 Cb -0.14 0.50 0.05 0.00 -0.13 0.00 0.00 32.58 32.86 2yye s HIS 50 CO 0.07 -0.46 0.70 -1.71 -2.47 0.00 0.00 174.74 170.87 2yye n ASN 51 N 3.94 -4.87 0.00 9.88 5.15 -1.26 -0.30 115.26 127.80 2yye n ASN 51 Ca -0.19 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.32 2yye n ASN 51 Cb 0.58 -3.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.88 2yye n ASN 51 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2yye n GLY 52 N -1.46 0.73 3.65 8.20 0.00 -1.26 -5.01 105.19 110.04 2yye n GLY 52 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2yye n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yye s ILE 53 N -3.07 4.25 -0.53 -0.61 1.01 0.59 -4.92 121.20 117.93 2yye s ILE 53 Ca 0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2yye s ILE 53 Cb 0.00 -2.80 0.09 0.00 0.01 0.00 0.00 42.46 39.75 2yye s ILE 53 CO 0.00 0.58 0.56 -0.63 0.00 0.00 0.00 174.94 175.46 2yye s ILE 54 N -0.64 5.01 0.22 2.92 -1.09 -1.26 -0.28 121.20 126.08 2yye s ILE 54 Ca 0.10 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.51 2yye s ILE 54 Cb -0.12 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.39 2yye s ILE 54 CO 0.02 -0.84 0.49 0.26 -1.23 0.00 0.00 174.94 173.64 2yye s TRP 55 N 2.21 3.45 0.03 3.97 0.52 0.69 -1.25 118.94 128.57 2yye s TRP 55 Ca 0.09 0.70 0.07 0.00 0.02 0.00 0.00 56.10 56.98 2yye s TRP 55 Cb -0.24 -2.13 -0.02 0.00 -1.15 0.00 0.00 33.47 29.93 2yye s TRP 55 CO 0.07 0.29 -0.19 0.14 0.02 0.00 0.00 176.95 177.29 2yye s VAL 56 N -1.85 1.53 -0.02 4.03 -7.23 -0.13 -0.60 120.40 116.14 2yye s VAL 56 Ca 0.44 -1.10 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 2yye s VAL 56 Cb -0.11 -1.33 0.01 0.00 0.56 0.00 0.00 36.38 35.50 2yye s VAL 56 CO 0.25 0.20 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.87 2yye s TYR 57 N -0.76 0.65 0.08 2.82 2.02 -0.25 -0.80 117.35 121.12 2yye s TYR 57 Ca 0.06 -0.15 -0.10 0.00 -0.37 0.00 0.00 57.07 56.51 2yye s TYR 57 Cb -0.08 -0.52 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 2yye s TYR 57 CO 0.01 -0.10 0.23 -0.08 -1.57 0.00 0.00 175.55 174.04 2yye s THR 58 N 0.41 0.12 -0.04 -0.71 -1.32 -0.75 -0.88 115.64 112.47 2yye s THR 58 Ca -0.05 -1.02 -0.06 0.00 -1.21 0.00 0.00 61.69 59.36 2yye s THR 58 Cb -0.09 -1.21 0.01 0.00 -1.51 0.00 0.00 72.50 69.70 2yye s THR 58 CO -0.00 -0.56 0.15 0.54 -2.21 0.00 0.00 174.62 172.53 2yye s VAL 59 N -3.53 0.02 -0.23 5.08 0.11 -1.26 0.14 120.40 120.73 2yye s VAL 59 Ca 0.02 -0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 58.79 2yye s VAL 59 Cb 0.03 -0.26 0.07 0.00 -1.53 0.00 0.00 36.38 34.69 2yye s VAL 59 CO -0.09 -0.08 0.57 -1.81 -3.33 0.00 0.00 175.10 170.36 2yye s ASP 60 N -0.21 -0.74 -0.00 3.54 1.01 -0.68 -5.00 116.67 114.59 2yye s ASP 60 Ca -0.03 1.24 0.04 0.00 0.71 0.00 0.00 52.55 54.51 2yye s ASP 60 Cb -0.02 1.13 -0.01 0.00 1.01 0.00 0.00 42.92 45.03 2yye s ASP 60 CO 0.00 -0.22 -0.12 -0.63 0.21 0.00 0.00 175.17 174.42 2yye s ILE 61 N 1.35 0.95 0.14 0.77 1.01 -1.26 -1.78 121.20 122.38 2yye s ILE 61 Ca -0.08 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2yye s ILE 61 Cb -0.06 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 2yye s ILE 61 CO -0.14 0.24 -0.03 0.27 0.00 0.00 0.00 174.94 175.28 2yye s ILE 62 N -0.34 0.67 0.67 2.92 -4.36 -0.54 -4.92 121.20 115.31 2yye s ILE 62 Ca 0.04 -1.96 -0.06 0.00 -0.26 0.00 0.00 60.65 58.41 2yye s ILE 62 Cb -0.05 -1.93 0.05 0.00 1.25 0.00 0.00 42.46 41.78 2yye s ILE 62 CO -0.00 -0.64 0.98 0.42 0.24 0.00 0.00 174.94 175.94 2yye s THR 63 N -3.65 2.61 0.29 8.37 -4.23 -1.26 -1.21 115.64 116.57 2yye s THR 63 Ca 0.19 -0.21 -0.29 0.00 -1.18 0.00 0.00 61.69 60.20 2yye s THR 63 Cb 0.06 -3.11 -0.13 0.00 1.34 0.00 0.00 72.50 70.65 2yye s THR 63 CO 0.00 -0.12 1.20 -2.65 -0.54 0.00 0.00 174.62 172.52 2yye n PRO 64 N -2.83 1.78 0.00 3.99 -0.02 -1.26 -4.92 135.00 131.75 2yye n PRO 64 Ca 0.07 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.18 2yye n PRO 64 Cb 0.60 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2yye n PRO 64 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2yye n VAL 65 N 0.65 0.00 -4.00 -1.45 0.24 -1.26 -4.85 118.33 107.66 2yye n VAL 65 Ca 0.08 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 2yye n VAL 65 Cb 0.33 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 2yye n VAL 65 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2yye s VAL 66 N -0.73 0.04 -0.34 3.34 -7.23 -1.26 -4.81 120.40 109.42 2yye s VAL 66 Ca 0.01 -1.47 0.23 0.00 -1.81 0.00 0.00 61.98 58.94 2yye s VAL 66 Cb 0.01 -2.02 0.07 0.00 0.56 0.00 0.00 36.38 35.00 2yye s VAL 66 CO 0.04 -0.17 1.20 0.78 -0.31 0.00 0.00 175.10 176.63 2yye h ASN 67 N 2.47 0.00 -3.46 4.85 2.35 -1.96 -3.40 115.58 116.43 2yye h ASN 67 Ca -0.31 -0.03 -0.57 0.00 -0.55 0.00 0.00 56.30 54.85 2yye h ASN 67 Cb 1.24 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 2yye h ASN 67 CO 0.45 0.02 0.93 -0.62 -1.65 0.00 0.00 177.43 176.56 2yye s ASP 68 N -5.35 6.69 0.30 5.81 -1.08 -1.26 -4.06 116.67 117.72 2yye s ASP 68 Ca 0.02 0.79 0.02 0.00 -0.52 0.00 0.00 52.55 52.86 2yye s ASP 68 Cb 0.09 -2.55 0.58 0.00 -1.46 0.00 0.00 42.92 39.59 2yye s ASP 68 CO 0.76 -1.15 1.88 1.55 0.52 0.00 0.00 175.17 178.73 2yye h PRO 69 N 9.10 0.94 -0.39 4.34 0.13 -1.91 -1.19 132.00 143.02 2yye h PRO 69 Ca -0.23 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2yye h PRO 69 Cb 1.07 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 2yye h PRO 69 CO 1.08 0.62 0.14 -0.92 -0.23 0.00 0.00 178.00 178.69 2yye h TYR 70 N 0.97 0.61 -0.09 1.56 5.03 -1.89 -1.84 116.97 121.31 2yye h TYR 70 Ca 0.43 -0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 2yye h TYR 70 Cb 0.36 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.45 2yye h TYR 70 CO -0.00 0.56 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.96 2yye h LEU 71 N 0.48 0.19 -0.32 2.82 3.38 -1.74 -1.98 115.31 118.14 2yye h LEU 71 Ca 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2yye h LEU 71 Cb 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2yye h LEU 71 CO -0.01 0.55 0.09 -0.25 0.09 0.00 0.00 178.44 178.91 2yye h TRP 72 N 0.16 0.53 -0.25 1.13 7.01 -0.93 -0.60 115.95 123.00 2yye h TRP 72 Ca 0.02 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 60.98 2yye h TRP 72 Cb 0.72 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.61 2yye h TRP 72 CO 0.01 0.54 0.09 0.78 -2.79 0.00 0.00 178.44 177.08 2yye h GLY 73 N 0.36 0.31 0.94 2.65 0.00 -1.08 0.56 103.07 106.81 2yye h GLY 73 Ca 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 2yye h GLY 73 CO -0.00 0.04 0.16 0.00 0.00 0.00 0.00 176.54 176.74 2yye h ALA 74 N 1.15 0.51 -0.29 3.60 0.00 -1.24 -2.23 119.26 120.76 2yye h ALA 74 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2yye h ALA 74 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2yye h ALA 74 CO -0.10 0.10 0.06 0.82 0.00 0.00 0.00 179.25 180.13 2yye h ILE 75 N 0.49 1.22 -0.90 0.00 2.04 -0.96 -1.55 117.51 117.85 2yye h ILE 75 Ca 0.13 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.29 2yye h ILE 75 Cb 0.18 1.17 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 2yye h ILE 75 CO -0.01 0.25 0.59 -1.28 0.00 0.00 0.00 178.15 177.69 2yye h SER 76 N 0.30 0.92 -0.20 1.72 0.87 -0.86 0.72 113.55 117.01 2yye h SER 76 Ca 0.09 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2yye h SER 76 Cb 0.31 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2yye h SER 76 CO 0.00 0.60 0.02 0.74 -0.53 0.00 0.00 176.83 177.67 2yye h THR 77 N 1.05 1.23 -0.98 2.23 2.02 -1.15 -0.86 112.91 116.45 2yye h THR 77 Ca 0.38 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2yye h THR 77 Cb 0.15 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2yye h THR 77 CO -0.14 0.24 0.65 0.00 0.37 0.00 0.00 175.52 176.64 2yye h ALA 78 N 0.82 1.31 -0.37 6.16 0.00 -0.92 -1.00 119.26 125.27 2yye h ALA 78 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2yye h ALA 78 Cb 0.34 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2yye h ALA 78 CO 0.01 0.63 0.15 -0.97 0.00 0.00 0.00 179.25 179.07 2yye h ASN 79 N 1.32 0.51 -0.39 0.00 -1.24 -0.56 -1.39 115.58 113.83 2yye h ASN 79 Ca 0.36 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 57.16 2yye h ASN 79 Cb -0.13 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 2yye h ASN 79 CO -0.08 0.53 0.03 0.00 -1.29 0.00 0.00 177.43 176.62 2yye h ALA 80 N 1.00 0.51 0.00 1.57 0.00 -0.81 -2.87 119.26 118.66 2yye h ALA 80 Ca 0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2yye h ALA 80 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yye h ALA 80 CO -0.01 0.26 -0.15 -0.07 0.00 0.00 0.00 179.25 179.27 2yye h LEU 81 N 0.49 0.00 -0.81 0.00 3.38 -1.10 -3.23 115.31 114.03 2yye h LEU 81 Ca 0.11 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.26 2yye h LEU 81 Cb 0.42 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.05 2yye h LEU 81 CO 0.01 0.15 0.29 -1.28 0.09 0.00 0.00 178.44 177.71 2yye h SER 82 N 0.00 0.20 0.44 -0.43 0.87 -1.01 -0.77 113.55 112.84 2yye h SER 82 Ca -0.00 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2yye h SER 82 Cb 0.34 0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2yye h SER 82 CO 0.02 0.01 -0.14 0.44 -0.53 0.00 0.00 176.83 176.63 2yye h ASP 83 N 0.36 0.00 -0.04 6.23 3.45 -1.72 -0.66 116.42 124.04 2yye h ASP 83 Ca 0.48 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.92 2yye h ASP 83 Cb 0.84 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.61 2yye h ASP 83 CO -0.50 0.14 -0.05 0.58 -1.57 0.00 0.00 179.24 177.84 2yye h VAL 84 N 0.00 1.40 -0.46 -1.35 2.07 -1.35 -3.16 116.25 113.40 2yye h VAL 84 Ca -0.00 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.25 2yye h VAL 84 Cb 0.40 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2yye h VAL 84 CO 0.02 0.34 0.30 1.88 0.02 0.00 0.00 177.57 180.13 2yye h TYR 85 N -0.38 0.59 0.00 1.57 0.05 -1.24 -1.06 116.97 116.51 2yye h TYR 85 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2yye h TYR 85 Cb 0.58 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2yye h TYR 85 CO 0.10 0.38 0.00 0.00 -1.05 0.00 0.00 178.16 177.59 2yye n ALA 86 N -2.47 1.47 0.92 3.88 0.00 -0.30 -1.13 120.51 122.89 2yye n ALA 86 Ca 0.04 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2yye n ALA 86 Cb 0.06 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 2yye n ALA 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2yye n MET 87 N -2.16 1.18 -0.51 0.00 2.81 -0.51 -4.40 117.12 113.53 2yye n MET 87 Ca 0.01 -0.75 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 2yye n MET 87 Cb 0.16 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2yye n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yye n GLY 88 N 1.37 0.72 3.99 3.03 0.00 -0.29 -0.33 105.19 113.68 2yye n GLY 88 Ca 0.08 -0.25 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 2yye n GLY 88 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yye s GLY 89 N -2.23 1.84 -0.18 -0.02 0.00 -0.58 -4.64 107.32 101.51 2yye s GLY 89 Ca 0.00 -1.52 -0.00 0.00 0.00 0.00 0.00 44.72 43.20 2yye s GLY 89 CO 0.00 -1.21 -0.16 -0.42 0.00 0.00 0.00 173.10 171.32 2yye s ILE 90 N -2.71 2.49 0.35 0.90 1.01 0.77 -4.05 121.20 119.96 2yye s ILE 90 Ca 0.58 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 60.14 2yye s ILE 90 Cb -0.09 -2.06 -0.11 0.00 0.01 0.00 0.00 42.46 40.20 2yye s ILE 90 CO 0.38 0.51 1.46 -2.84 0.00 0.00 0.00 174.94 174.45 2yye s PRO 91 N 1.17 4.16 0.00 2.79 0.02 -1.26 -0.51 135.00 141.37 2yye s PRO 91 Ca 0.02 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2yye s PRO 91 Cb -0.14 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2yye s PRO 91 CO -0.07 -0.48 0.00 0.28 -0.33 0.00 0.00 177.00 176.41 2yye n VAL 92 N 0.78 0.00 -3.96 3.83 0.31 0.02 -4.65 118.33 114.65 2yye n VAL 92 Ca 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.25 2yye n VAL 92 Cb 0.40 -1.32 -0.06 0.00 -0.91 0.00 0.00 33.84 31.94 2yye n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yye s ASN 93 N -4.85 -0.01 0.26 4.52 2.20 -0.93 -1.93 114.94 114.20 2yye s ASN 93 Ca 0.00 -0.88 -0.14 0.00 -0.94 0.00 0.00 52.86 50.90 2yye s ASN 93 Cb 0.00 0.48 0.00 0.00 -2.00 0.00 0.00 41.25 39.73 2yye s ASN 93 CO 0.00 -0.96 0.53 0.00 -2.94 0.00 0.00 177.10 173.73 2yye s ALA 94 N -3.98 -0.38 0.01 3.54 0.00 0.79 -1.32 121.76 120.42 2yye s ALA 94 Ca 0.19 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.36 2yye s ALA 94 Cb 0.02 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 24.15 2yye s ALA 94 CO 0.03 -0.89 -0.07 -0.51 0.00 0.00 0.00 175.76 174.32 2yye s LEU 95 N -3.02 2.08 -0.12 0.00 1.43 -0.58 -0.03 118.68 118.45 2yye s LEU 95 Ca 0.21 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 2yye s LEU 95 Cb -0.02 -0.31 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 2yye s LEU 95 CO 0.09 0.01 0.13 0.00 0.23 0.00 0.00 176.35 176.81 2yye s ALA 96 N -0.46 3.82 -0.25 4.21 0.00 -0.13 -1.46 121.76 127.49 2yye s ALA 96 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.30 2yye s ALA 96 Cb -0.04 -1.93 0.04 0.00 0.00 0.00 0.00 23.12 21.19 2yye s ALA 96 CO 0.00 0.62 -0.08 0.42 0.00 0.00 0.00 175.76 176.71 2yye s ILE 97 N -1.01 2.56 -0.16 0.00 1.01 0.27 -1.25 121.20 122.61 2yye s ILE 97 Ca 0.15 -1.30 0.01 0.00 0.00 0.00 0.00 60.65 59.51 2yye s ILE 97 Cb -0.12 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2yye s ILE 97 CO 0.04 0.10 -0.19 -0.44 0.00 0.00 0.00 174.94 174.45 2yye s SER 98 N 1.23 3.28 -0.29 3.58 0.01 -0.52 -1.84 113.70 119.16 2yye s SER 98 Ca -0.04 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.65 2yye s SER 98 Cb -0.18 -1.50 0.06 0.00 0.21 0.00 0.00 66.02 64.62 2yye s SER 98 CO -0.05 0.04 -0.05 0.00 0.41 0.00 0.00 173.24 173.60 2yye s PHE 100 N 1.13 -0.32 -0.26 0.00 -0.71 -0.64 -0.88 117.98 116.30 2yye s PHE 100 Ca -0.05 0.18 -0.07 0.00 -1.04 0.00 0.00 56.93 55.95 2yye s PHE 100 Cb -0.20 0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 2yye s PHE 100 CO -0.04 -0.68 0.08 1.21 -1.34 0.00 0.00 175.22 174.45 2yye s ASN 101 N -2.39 5.16 0.31 1.98 3.84 -0.61 -2.54 114.94 120.70 2yye s ASN 101 Ca -0.01 -0.28 0.17 0.00 0.21 0.00 0.00 52.86 52.95 2yye s ASN 101 Cb 0.00 -1.93 0.95 0.00 -0.55 0.00 0.00 41.25 39.73 2yye s ASN 101 CO -0.07 -0.06 1.49 0.59 -2.79 0.00 0.00 177.10 176.26 2yye n ASN 102 N 4.92 0.45 -0.05 -4.21 3.02 -1.26 -2.02 115.26 116.12 2yye n ASN 102 Ca -0.16 0.67 0.01 0.00 -0.03 0.00 0.00 54.58 55.07 2yye n ASN 102 Cb 0.51 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2yye n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yye n GLU 104 N -0.05 1.28 0.00 0.00 4.07 -0.86 -4.93 120.64 120.15 2yye n GLU 104 Ca 0.01 -0.99 0.00 0.00 -0.06 0.00 0.00 57.16 56.12 2yye n GLU 104 Cb 0.03 -1.45 0.00 0.00 -0.06 0.00 0.00 31.44 29.96 2yye n GLU 104 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2yye n LEU 105 N -0.02 0.00 -3.63 4.31 4.77 -0.98 -4.99 117.00 116.46 2yye n LEU 105 Ca 0.09 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 2yye n LEU 105 Cb 0.46 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2yye n LEU 105 CO 0.27 0.00 1.13 1.51 -1.33 0.00 0.00 177.39 178.97 2yye s ASP 106 N 1.75 -0.05 0.34 -1.43 3.84 -1.26 -4.84 116.67 115.02 2yye s ASP 106 Ca 0.00 0.01 0.13 0.00 -0.00 0.00 0.00 52.55 52.69 2yye s ASP 106 Cb 0.00 0.05 1.08 0.00 -1.38 0.00 0.00 42.92 42.67 2yye s ASP 106 CO 0.00 -0.08 1.61 0.16 -0.00 0.00 0.00 175.17 176.86 2yye h ILE 107 N 2.01 0.14 -0.52 2.11 3.07 -1.95 -0.80 117.51 121.57 2yye h ILE 107 Ca -0.04 -0.04 0.08 0.00 1.55 0.00 0.00 64.86 66.40 2yye h ILE 107 Cb 1.14 -0.00 -0.06 0.00 -0.27 0.00 0.00 36.82 37.63 2yye h ILE 107 CO 0.20 0.02 0.17 -0.33 -1.05 0.00 0.00 178.15 177.17 2yye h GLU 108 N 0.13 0.33 -0.16 0.16 5.08 -1.98 0.41 114.58 118.56 2yye h GLU 108 Ca 0.73 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 59.04 2yye h GLU 108 Cb 1.74 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.91 2yye h GLU 108 CO -0.73 0.22 -0.02 0.82 -1.00 0.00 0.00 179.01 178.30 2yye h ILE 109 N 0.34 1.27 -0.82 3.13 1.08 -1.56 -2.60 117.51 118.35 2yye h ILE 109 Ca 0.25 -0.91 0.06 0.00 -0.39 0.00 0.00 64.86 63.87 2yye h ILE 109 Cb 0.29 1.56 -0.06 0.00 -3.07 0.00 0.00 36.82 35.54 2yye h ILE 109 CO -0.27 0.27 0.50 0.15 -0.69 0.00 0.00 178.15 178.11 2yye h PHE 110 N 0.01 0.92 0.00 1.37 3.04 -1.06 -0.53 116.94 120.69 2yye h PHE 110 Ca 0.04 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 2yye h PHE 110 Cb 0.42 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 2yye h PHE 110 CO 0.04 0.47 -0.25 0.00 -2.02 0.00 0.00 178.31 176.55 2yye h ARG 111 N 0.91 0.00 -0.11 1.11 3.08 -0.05 -1.92 114.38 117.41 2yye h ARG 111 Ca 0.36 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.23 2yye h ARG 111 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2yye h ARG 111 CO -0.17 0.25 -0.68 0.93 -1.07 0.00 0.00 179.97 179.23 2yye h GLU 112 N 0.00 0.45 -0.33 0.04 4.39 -0.73 -1.29 114.58 117.11 2yye h GLU 112 Ca -0.00 -0.34 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 2yye h GLU 112 Cb 0.44 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2yye h GLU 112 CO 0.03 0.96 0.04 0.28 -1.16 0.00 0.00 179.01 179.16 2yye h VAL 113 N 0.32 1.24 -0.53 3.13 2.07 -0.95 -1.83 116.25 119.70 2yye h VAL 113 Ca -0.02 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 2yye h VAL 113 Cb 1.24 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2yye h VAL 113 CO 0.12 0.29 0.25 0.40 0.02 0.00 0.00 177.57 178.64 2yye h ILE 114 N 0.38 1.20 -0.68 4.57 1.08 -1.30 -1.61 117.51 121.15 2yye h ILE 114 Ca 0.10 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 64.03 2yye h ILE 114 Cb 0.38 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 2yye h ILE 114 CO 0.01 0.23 0.40 -0.09 -0.69 0.00 0.00 178.15 178.01 2yye h ARG 115 N 0.71 0.73 -0.47 2.37 2.43 -1.09 0.96 114.38 120.03 2yye h ARG 115 Ca 0.18 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2yye h ARG 115 Cb 0.14 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2yye h ARG 115 CO -0.02 0.49 0.22 0.78 -1.51 0.00 0.00 179.97 179.93 2yye h GLY 116 N 0.76 0.73 0.97 2.80 0.00 -1.04 -1.33 103.07 105.96 2yye h GLY 116 Ca 0.29 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2yye h GLY 116 CO -0.15 0.35 0.07 0.00 0.00 0.00 0.00 176.54 176.81 2yye h ALA 117 N 1.07 0.16 -0.78 3.60 0.00 -0.67 -2.27 119.26 120.37 2yye h ALA 117 Ca 0.16 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2yye h ALA 117 Cb 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2yye h ALA 117 CO -0.02 -0.37 0.51 -0.07 0.00 0.00 0.00 179.25 179.30 2yye h LEU 118 N 0.15 0.87 -0.88 0.00 3.38 -0.69 -0.30 115.31 117.85 2yye h LEU 118 Ca 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2yye h LEU 118 Cb -0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2yye h LEU 118 CO -0.03 0.63 -0.03 0.44 0.09 0.00 0.00 178.44 179.54 2yye h ASP 119 N 1.03 0.78 -0.20 -0.43 3.45 -1.10 0.81 116.42 120.76 2yye h ASP 119 Ca 0.29 -0.20 -0.18 0.00 0.43 0.00 0.00 57.03 57.37 2yye h ASP 119 Cb -0.09 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.47 2yye h ASP 119 CO -0.07 0.86 -0.56 0.50 -1.57 0.00 0.00 179.24 178.39 2yye h LYS 120 N 0.74 0.79 -0.59 3.56 1.63 -0.97 -2.09 116.57 119.64 2yye h LYS 120 Ca 0.14 -0.51 -0.06 0.00 -0.85 0.00 0.00 60.65 59.37 2yye h LYS 120 Cb 0.49 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 2yye h LYS 120 CO 0.02 1.14 0.13 -0.07 -3.45 0.00 0.00 179.45 177.22 2yye h LEU 121 N 0.60 0.88 -0.51 5.20 3.38 -0.77 -0.48 115.31 123.62 2yye h LEU 121 Ca 0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.81 2yye h LEU 121 Cb 1.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 2yye h LEU 121 CO 0.12 0.87 0.33 -0.09 0.09 0.00 0.00 178.44 179.76 2yye h ARG 122 N 0.89 0.64 -0.70 1.13 2.43 -0.70 0.20 114.38 118.29 2yye h ARG 122 Ca 0.19 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2yye h ARG 122 Cb 0.35 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2yye h ARG 122 CO 0.00 0.43 0.33 1.49 -1.51 0.00 0.00 179.97 180.71 2yye h GLU 123 N 0.66 0.99 -0.10 0.20 4.81 -0.77 -1.49 114.58 118.89 2yye h GLU 123 Ca 0.19 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2yye h GLU 123 Cb -0.04 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.15 2yye h GLU 123 CO -0.06 0.77 0.00 0.00 -0.73 0.00 0.00 179.01 178.99 2yye n ALA 124 N -2.44 2.55 -4.04 2.92 0.00 -0.24 -4.91 120.51 114.34 2yye n ALA 124 Ca 0.07 -0.36 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 2yye n ALA 124 Cb 0.14 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.40 2yye n ALA 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2yye n LYS 125 N -0.11 -3.60 -4.76 0.00 5.02 0.55 -4.81 118.16 110.46 2yye n LYS 125 Ca 0.15 0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 56.54 2yye n LYS 125 Cb 0.23 -4.89 -0.14 0.00 -0.02 0.00 0.00 35.03 30.21 2yye n LYS 125 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2yye s THR 126 N -3.61 3.18 -0.21 -0.18 2.01 -0.23 -4.75 115.64 111.84 2yye s THR 126 Ca 0.37 -0.63 -0.21 0.00 0.31 0.00 0.00 61.69 61.53 2yye s THR 126 Cb -0.20 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2yye s THR 126 CO 0.89 0.54 0.62 -0.69 -0.69 0.00 0.00 174.62 175.30 2yye s VAL 127 N 0.03 5.01 -0.16 3.82 1.01 -0.81 -4.42 120.40 124.89 2yye s VAL 127 Ca -0.04 1.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.82 2yye s VAL 127 Cb -0.14 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 2yye s VAL 127 CO 0.04 0.09 0.97 -0.22 0.00 0.00 0.00 175.10 175.98 2yye s LEU 128 N 2.07 4.19 0.00 3.92 2.96 -1.26 -0.15 118.68 130.40 2yye s LEU 128 Ca 0.28 1.40 0.17 0.00 -0.22 0.00 0.00 54.13 55.75 2yye s LEU 128 Cb -0.16 -3.47 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 2yye s LEU 128 CO 0.10 -0.50 0.88 0.18 -1.32 0.00 0.00 176.35 175.69 2yye n LEU 129 N 5.43 1.68 0.00 -0.68 4.77 0.96 -4.90 117.00 124.25 2yye n LEU 129 Ca 0.09 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2yye n LEU 129 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2yye n LEU 129 CO 0.51 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 2yye n GLY 130 N 1.16 0.00 0.00 -0.72 0.00 -1.26 -5.04 105.19 99.34 2yye n GLY 130 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2yye n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yye n GLY 131 N 0.00 -0.65 3.20 -0.02 0.00 -1.26 -0.95 105.19 105.51 2yye n GLY 131 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2yye n GLY 131 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2yye s HIS 132 N -3.00 -0.25 -0.09 1.61 2.46 -0.38 -4.91 115.29 110.74 2yye s HIS 132 Ca 0.00 0.54 0.03 0.00 0.47 0.00 0.00 55.06 56.10 2yye s HIS 132 Cb 0.00 0.09 0.01 0.00 -0.13 0.00 0.00 32.58 32.55 2yye s HIS 132 CO 0.00 -0.25 -0.17 0.99 -2.47 0.00 0.00 174.74 172.85 2yye s THR 133 N -0.47 1.51 0.03 0.89 2.01 -1.26 -1.43 115.64 116.92 2yye s THR 133 Ca -0.06 -0.69 0.05 0.00 0.31 0.00 0.00 61.69 61.30 2yye s THR 133 Cb -0.04 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 2yye s THR 133 CO 0.02 0.44 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.74 2yye s ILE 134 N 0.63 1.08 0.00 1.82 2.07 0.25 -5.00 121.20 122.05 2yye s ILE 134 Ca -0.14 -0.96 -0.30 0.00 -1.41 0.00 0.00 60.65 57.84 2yye s ILE 134 Cb -0.16 -0.98 -0.07 0.00 0.13 0.00 0.00 42.46 41.38 2yye s ILE 134 CO 0.04 0.02 1.62 -0.62 -1.91 0.00 0.00 174.94 174.09 2yye s ASP 135 N -1.08 6.67 -0.15 4.50 -1.08 -1.26 -1.62 116.67 122.65 2yye s ASP 135 Ca 0.01 2.32 -0.09 0.00 -0.52 0.00 0.00 52.55 54.27 2yye s ASP 135 Cb -0.08 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 38.89 2yye s ASP 135 CO 0.01 -0.88 0.37 -0.62 0.52 0.00 0.00 175.17 174.57 2yye s ASP 136 N 2.76 -0.45 0.19 -0.34 3.68 -1.05 -4.82 116.67 116.65 2yye s ASP 136 Ca 0.72 0.80 -0.07 0.00 2.13 0.00 0.00 52.55 56.13 2yye s ASP 136 Cb -0.36 0.69 0.11 0.00 -1.45 0.00 0.00 42.92 41.92 2yye s ASP 136 CO 0.30 -0.18 1.61 0.50 0.13 0.00 0.00 175.17 177.53 2yye h LYS 137 N 6.95 0.90 -4.73 4.34 1.63 -1.93 -1.62 116.57 122.12 2yye h LYS 137 Ca -0.36 -0.36 -0.70 0.00 -0.85 0.00 0.00 60.65 58.38 2yye h LYS 137 Cb 1.18 -0.05 -0.20 0.00 -0.60 0.00 0.00 32.23 32.57 2yye h LYS 137 CO 0.31 1.01 -0.07 -2.00 -3.45 0.00 0.00 179.45 175.24 2yye s GLU 138 N -4.71 3.07 0.36 1.90 2.12 -1.26 -4.79 118.70 115.39 2yye s GLU 138 Ca -0.10 -1.07 -0.28 0.00 0.36 0.00 0.00 54.97 53.87 2yye s GLU 138 Cb 0.13 -4.12 -0.11 0.00 0.26 0.00 0.00 34.13 30.29 2yye s GLU 138 CO 0.85 -1.18 1.43 -1.25 -0.54 0.00 0.00 175.26 174.57 2yye s PRO 139 N 2.30 4.19 0.00 4.30 0.04 -1.26 -4.81 135.00 139.77 2yye s PRO 139 Ca 0.11 2.45 -0.09 0.00 0.04 0.00 0.00 61.00 63.51 2yye s PRO 139 Cb -0.21 -3.00 0.01 0.00 0.04 0.00 0.00 34.50 31.33 2yye s PRO 139 CO 0.10 -0.42 0.19 0.15 0.04 0.00 0.00 177.00 177.05 2yye s LYS 140 N -1.98 0.55 -0.08 4.56 1.02 -0.06 -4.13 119.74 119.62 2yye s LYS 140 Ca 0.52 -0.37 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 2yye s LYS 140 Cb -0.44 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.12 2yye s LYS 140 CO 0.60 -0.14 0.28 0.12 -0.92 0.00 0.00 175.35 175.29 2yye s PHE 141 N -1.47 -0.25 0.01 3.18 5.36 -0.35 -0.95 117.98 123.51 2yye s PHE 141 Ca -0.14 0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 2yye s PHE 141 Cb -0.07 0.09 0.01 0.00 -0.34 0.00 0.00 43.02 42.72 2yye s PHE 141 CO 0.02 -0.23 0.18 0.41 -1.46 0.00 0.00 175.22 174.14 2yye n GLY 142 N 2.37 0.82 3.19 13.12 0.00 -0.77 -1.46 105.19 122.45 2yye n GLY 142 Ca -0.16 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 2yye n GLY 142 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yye s LEU 143 N 0.00 1.31 -0.09 0.99 1.43 -0.73 -0.57 118.68 121.02 2yye s LEU 143 Ca 0.04 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2yye s LEU 143 Cb -0.00 1.00 -0.04 0.00 0.03 0.00 0.00 46.19 47.18 2yye s LEU 143 CO 0.00 -0.55 0.05 -0.94 0.23 0.00 0.00 176.35 175.14 2yye s SER 144 N -2.04 5.65 -0.01 2.29 1.04 -0.54 -1.69 113.70 118.40 2yye s SER 144 Ca -0.06 0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.65 2yye s SER 144 Cb -0.01 -1.68 -0.01 0.00 0.10 0.00 0.00 66.02 64.42 2yye s SER 144 CO -0.03 0.38 -0.08 -0.69 0.98 0.00 0.00 173.24 173.79 2yye s VAL 145 N -0.96 0.63 -0.10 5.02 1.01 0.12 -1.52 120.40 124.60 2yye s VAL 145 Ca 0.15 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.81 2yye s VAL 145 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.72 2yye s VAL 145 CO 0.04 0.18 -0.18 0.00 0.00 0.00 0.00 175.10 175.14 2yye s ALA 146 N -0.18 2.43 0.38 5.51 0.00 -0.43 -1.80 121.76 127.66 2yye s ALA 146 Ca 0.03 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.11 2yye s ALA 146 Cb -0.03 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2yye s ALA 146 CO -0.00 0.32 0.23 0.20 0.00 0.00 0.00 175.76 176.51 2yye s GLY 147 N 0.15 2.55 0.01 0.00 0.00 0.02 -0.80 107.32 109.25 2yye s GLY 147 Ca -0.10 -1.70 0.04 0.00 0.00 0.00 0.00 44.72 42.97 2yye s GLY 147 CO 0.06 -1.63 -0.13 -0.42 0.00 0.00 0.00 173.10 170.98 2yye s ILE 148 N -3.30 1.01 -0.47 0.90 1.01 0.34 -0.95 121.20 119.73 2yye s ILE 148 Ca 0.33 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 2yye s ILE 148 Cb 0.02 -0.87 0.08 0.00 0.01 0.00 0.00 42.46 41.69 2yye s ILE 148 CO 0.23 0.17 0.38 0.00 0.00 0.00 0.00 174.94 175.73 2yye n PRO 150 N 5.16 2.12 -2.21 0.00 -0.04 -1.26 -2.04 135.00 136.74 2yye n PRO 150 Ca -0.12 0.76 -0.19 0.00 -0.04 0.00 0.00 63.50 63.91 2yye n PRO 150 Cb 0.43 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 2yye n PRO 150 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2yye n GLU 151 N 2.69 -1.51 -1.50 0.54 1.02 -1.26 -3.35 120.64 117.28 2yye n GLU 151 Ca 0.14 0.99 -0.17 0.00 -0.02 0.00 0.00 57.16 58.09 2yye n GLU 151 Cb 0.30 -5.51 -0.07 0.00 -0.02 0.00 0.00 31.44 26.14 2yye n GLU 151 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2yye n GLY 152 N -0.93 1.64 3.64 0.62 0.00 -0.86 -4.99 105.19 104.31 2yye n GLY 152 Ca -0.22 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2yye n GLY 152 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yye s LYS 153 N -3.45 4.06 0.01 1.61 2.47 -1.21 -5.04 119.74 118.19 2yye s LYS 153 Ca 0.00 -0.17 0.04 0.00 -1.56 0.00 0.00 55.97 54.27 2yye s LYS 153 Cb 0.00 -3.57 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 2yye s LYS 153 CO 0.00 -0.03 -0.12 1.52 0.16 0.00 0.00 175.35 176.88 2yye s TYR 154 N 1.32 1.06 -0.24 4.03 -0.85 -1.26 -4.65 117.35 116.75 2yye s TYR 154 Ca 0.10 -0.26 -0.07 0.00 -0.52 0.00 0.00 57.07 56.32 2yye s TYR 154 Cb -0.14 -0.66 -0.03 0.00 0.38 0.00 0.00 41.96 41.51 2yye s TYR 154 CO 0.07 -0.00 0.05 0.42 -1.52 0.00 0.00 175.55 174.56 2yye s ILE 155 N -0.53 4.15 0.47 -3.49 -1.09 0.55 -5.01 121.20 116.25 2yye s ILE 155 Ca 0.03 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.27 2yye s ILE 155 Cb -0.06 -2.93 0.08 0.00 -1.58 0.00 0.00 42.46 37.97 2yye s ILE 155 CO 0.00 0.36 0.65 0.35 -1.23 0.00 0.00 174.94 175.07 2yye n THR 156 N 4.84 0.00 1.36 2.92 -2.24 -1.26 -4.36 114.28 115.54 2yye n THR 156 Ca -0.17 -1.39 0.13 0.00 -2.27 0.00 0.00 64.05 60.36 2yye n THR 156 Cb 0.51 -0.73 0.44 0.00 -2.10 0.00 0.00 70.33 68.45 2yye n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yye n GLN 157 N -2.07 1.28 -0.38 -0.78 6.02 -1.26 -1.91 117.38 118.29 2yye n GLN 157 Ca 0.12 -0.76 0.08 0.00 -0.01 0.00 0.00 57.00 56.43 2yye n GLN 157 Cb 0.45 -1.48 0.25 0.00 1.02 0.00 0.00 30.24 30.48 2yye n GLN 157 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2yye n SER 158 N -0.20 3.75 -1.10 1.08 3.41 -1.26 -4.18 113.62 115.12 2yye n SER 158 Ca 0.16 -2.35 0.08 0.00 -0.26 0.00 0.00 58.87 56.50 2yye n SER 158 Cb 0.36 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 64.15 2yye n SER 158 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yye n GLY 159 N 0.55 2.94 3.77 5.00 0.00 -1.25 -4.28 105.19 111.92 2yye n GLY 159 Ca 0.19 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 2yye n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yye s ALA 160 N -1.59 2.86 0.24 4.61 0.00 -1.26 -4.65 121.76 121.97 2yye s ALA 160 Ca 0.39 0.99 0.10 0.00 0.00 0.00 0.00 51.96 53.44 2yye s ALA 160 Cb 0.25 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2yye s ALA 160 CO 0.20 -0.84 -0.09 -0.65 0.00 0.00 0.00 175.76 174.38 2yye s GLN 161 N -2.88 2.02 0.50 0.00 -1.52 -1.26 -4.90 119.66 111.63 2yye s GLN 161 Ca 0.68 -1.46 -0.22 0.00 -1.95 0.00 0.00 55.36 52.41 2yye s GLN 161 Cb -0.30 -2.05 -0.06 0.00 -0.22 0.00 0.00 33.01 30.38 2yye s GLN 161 CO 0.35 0.38 1.25 0.08 -0.25 0.00 0.00 175.29 177.10 2yye s VAL 162 N -2.12 2.66 0.00 1.09 1.01 -1.26 -3.35 120.40 118.42 2yye s VAL 162 Ca 0.28 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.75 2yye s VAL 162 Cb -0.07 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2yye s VAL 162 CO 0.17 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2yye n GLY 163 N 0.56 0.42 3.85 4.51 0.00 -0.63 -4.98 105.19 108.93 2yye n GLY 163 Ca 0.09 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 2yye n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yye s GLN 164 N -1.58 3.08 0.15 1.61 -0.21 -1.21 -4.80 119.66 116.69 2yye s GLN 164 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 55.36 54.31 2yye s GLN 164 Cb 0.00 -2.72 -0.08 0.00 1.00 0.00 0.00 33.01 31.22 2yye s GLN 164 CO 0.00 0.46 0.70 -0.51 -2.12 0.00 0.00 175.29 173.82 2yye s LEU 165 N -3.43 4.53 -0.30 2.90 1.43 -0.08 -1.05 118.68 122.68 2yye s LEU 165 Ca 0.32 1.48 -0.15 0.00 -1.03 0.00 0.00 54.13 54.75 2yye s LEU 165 Cb -0.10 -3.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 2yye s LEU 165 CO 0.25 0.20 0.37 -0.76 0.23 0.00 0.00 176.35 176.65 2yye s LEU 166 N -1.29 4.17 -0.09 1.79 1.43 0.70 -1.93 118.68 123.45 2yye s LEU 166 Ca 0.35 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2yye s LEU 166 Cb -0.21 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2yye s LEU 166 CO 0.23 -0.24 -0.07 -0.63 0.23 0.00 0.00 176.35 175.87 2yye s ILE 167 N 2.07 3.68 -0.03 -0.59 -1.09 0.79 -1.51 121.20 124.52 2yye s ILE 167 Ca 0.14 -0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.14 2yye s ILE 167 Cb -0.16 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 2yye s ILE 167 CO 0.11 0.57 -0.19 -0.22 -1.23 0.00 0.00 174.94 173.97 2yye s LEU 168 N -0.42 1.99 0.00 2.97 2.96 -0.06 -1.17 118.68 124.96 2yye s LEU 168 Ca 0.06 -0.38 0.19 0.00 -0.22 0.00 0.00 54.13 53.79 2yye s LEU 168 Cb -0.12 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.54 2yye s LEU 168 CO 0.02 0.21 1.00 0.35 -1.32 0.00 0.00 176.35 176.61 2yye n THR 169 N 2.86 0.00 -3.90 3.68 -2.24 -0.76 -0.67 114.28 113.25 2yye n THR 169 Ca -0.17 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 2yye n THR 169 Cb 0.53 1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 69.92 2yye n THR 169 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2yye s LYS 170 N -2.09 0.47 0.88 -0.78 1.02 -1.26 -4.42 119.74 113.56 2yye s LYS 170 Ca 0.17 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 2yye s LYS 170 Cb 0.16 0.19 0.12 0.00 -0.52 0.00 0.00 37.83 37.78 2yye s LYS 170 CO 0.44 -0.11 1.09 -2.14 -0.92 0.00 0.00 175.35 173.72 2yye s PRO 171 N -1.62 1.40 0.56 -1.68 0.02 -1.26 -4.50 135.00 127.91 2yye s PRO 171 Ca -0.13 0.92 0.05 0.00 0.02 0.00 0.00 61.00 61.86 2yye s PRO 171 Cb -0.07 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.68 2yye s PRO 171 CO 0.00 -2.17 0.42 0.96 -0.33 0.00 0.00 177.00 175.88 2yye s ILE 172 N -2.90 1.58 0.00 2.83 -4.36 -0.51 -4.77 121.20 113.06 2yye s ILE 172 Ca 0.63 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 2yye s ILE 172 Cb -0.18 -2.07 0.00 0.00 1.25 0.00 0.00 42.46 41.46 2yye s ILE 172 CO 0.57 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.36 2yye n GLY 173 N -1.80 0.62 0.36 6.27 0.00 -1.26 -3.40 105.19 105.97 2yye n GLY 173 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 2yye n GLY 173 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2yye h THR 174 N 0.00 1.25 -0.96 2.61 1.35 -1.88 -2.62 112.91 112.66 2yye h THR 174 Ca 0.00 -0.56 0.13 0.00 -0.55 0.00 0.00 66.41 65.43 2yye h THR 174 Cb 0.00 0.03 -0.08 0.00 -1.73 0.00 0.00 68.15 66.37 2yye h THR 174 CO 0.00 0.26 0.61 1.23 -0.25 0.00 0.00 175.52 177.37 2yye h GLY 175 N 1.22 1.49 0.97 5.82 0.00 -1.74 -0.43 103.07 110.40 2yye h GLY 175 Ca 0.31 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2yye h GLY 175 CO -0.06 0.13 0.09 -2.22 0.00 0.00 0.00 176.54 174.48 2yye h ILE 176 N 0.88 1.24 -0.52 2.60 1.08 -1.74 -1.88 117.51 119.16 2yye h ILE 176 Ca 0.48 -0.88 -0.07 0.00 -0.39 0.00 0.00 64.86 64.00 2yye h ILE 176 Cb 0.58 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2yye h ILE 176 CO -0.25 0.31 0.03 -0.07 -0.69 0.00 0.00 178.15 177.49 2yye h LEU 177 N 0.63 0.83 -0.58 1.44 3.38 -1.14 -1.01 115.31 118.85 2yye h LEU 177 Ca 0.14 -0.19 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2yye h LEU 177 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2yye h LEU 177 CO 0.01 0.87 -0.19 0.40 0.09 0.00 0.00 178.44 179.62 2yye h ILE 178 N 0.81 1.27 -0.48 1.22 2.04 -0.97 -0.11 117.51 121.29 2yye h ILE 178 Ca 0.16 -1.33 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 2yye h ILE 178 Cb 0.44 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2yye h ILE 178 CO 0.02 0.46 0.10 0.50 0.00 0.00 0.00 178.15 179.23 2yye h LYS 179 N 0.81 0.72 -0.66 2.37 1.63 -1.01 0.34 116.57 120.77 2yye h LYS 179 Ca 0.11 -0.14 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 2yye h LYS 179 Cb 0.74 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 2yye h LYS 179 CO 0.06 0.67 0.18 0.78 -3.45 0.00 0.00 179.45 177.68 2yye h GLY 180 N 0.91 1.13 0.97 5.01 0.00 -0.21 -1.94 103.07 108.94 2yye h GLY 180 Ca 0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 2yye h GLY 180 CO -0.00 0.65 -0.16 1.41 0.00 0.00 0.00 176.54 178.43 2yye h LEU 181 N 0.98 0.76 -0.76 3.11 3.38 -0.53 -1.52 115.31 120.72 2yye h LEU 181 Ca 0.21 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.82 2yye h LEU 181 Cb 0.34 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2yye h LEU 181 CO -0.00 0.99 0.47 0.50 0.09 0.00 0.00 178.44 180.49 2yye h LYS 182 N 0.53 0.86 0.00 1.13 3.64 -0.78 -1.21 116.57 120.74 2yye h LYS 182 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2yye h LYS 182 Cb 0.70 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 2yye h LYS 182 CO 0.05 0.57 0.00 0.39 -2.27 0.00 0.00 179.45 178.19 2yye n GLU 183 N -4.66 0.79 -1.08 1.90 -0.58 -0.75 -4.88 120.64 111.38 2yye n GLU 183 Ca 0.09 0.01 -0.03 0.00 -0.42 0.00 0.00 57.16 56.81 2yye n GLU 183 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2yye n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yye n GLY 184 N 0.90 0.59 0.11 0.62 0.00 -0.46 -4.89 105.19 102.06 2yye n GLY 184 Ca 0.20 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 2yye n GLY 184 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2yye h ILE 185 N 0.00 0.95 -2.71 -0.61 1.08 -1.51 -3.47 117.51 111.23 2yye h ILE 185 Ca -0.06 -2.44 -0.49 0.00 -0.39 0.00 0.00 64.86 61.48 2yye h ILE 185 Cb 0.32 2.41 -0.14 0.00 -3.07 0.00 0.00 36.82 36.34 2yye h ILE 185 CO 0.08 0.54 -0.74 -0.76 -0.69 0.00 0.00 178.15 176.58 2yye s LEU 186 N -6.32 2.56 0.24 1.44 1.02 -0.98 -4.99 118.68 111.65 2yye s LEU 186 Ca 0.01 -1.02 0.06 0.00 0.02 0.00 0.00 54.13 53.20 2yye s LEU 186 Cb 0.08 -0.79 -0.05 0.00 0.02 0.00 0.00 46.19 45.45 2yye s LEU 186 CO 0.78 -0.11 -0.08 -1.59 0.02 0.00 0.00 176.35 175.37 2yye s LYS 187 N -3.58 1.40 0.29 1.70 -2.85 -1.26 -4.37 119.74 111.06 2yye s LYS 187 Ca 0.24 -1.67 0.03 0.00 -1.00 0.00 0.00 55.97 53.57 2yye s LYS 187 Cb -0.02 -0.99 0.67 0.00 -2.06 0.00 0.00 37.83 35.42 2yye s LYS 187 CO 0.09 0.06 1.76 0.93 0.10 0.00 0.00 175.35 178.29 2yye h GLU 188 N 2.45 0.65 -0.81 1.78 5.08 -1.99 -1.92 114.58 119.83 2yye h GLU 188 Ca -0.39 -0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.06 2yye h GLU 188 Cb 1.22 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2yye h GLU 188 CO 0.65 0.43 0.53 0.93 -1.00 0.00 0.00 179.01 180.55 2yye h GLU 189 N 0.67 0.60 0.00 2.33 4.39 -1.99 -1.17 114.58 119.40 2yye h GLU 189 Ca 0.54 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 60.18 2yye h GLU 189 Cb 0.84 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2yye h GLU 189 CO -0.39 0.40 -0.12 -0.44 -1.16 0.00 0.00 179.01 177.29 2yye h ASP 190 N 0.62 0.00 -0.18 1.42 3.32 -1.76 -3.21 116.42 116.62 2yye h ASP 190 Ca 0.39 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.29 2yye h ASP 190 Cb 0.65 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.05 2yye h ASP 190 CO -0.15 0.12 -0.66 2.30 -1.72 0.00 0.00 179.24 179.12 2yye n ILE 191 N -3.41 1.96 -0.33 0.35 -5.35 -0.47 -4.83 119.36 107.27 2yye n ILE 191 Ca -0.01 -3.16 0.18 0.00 -0.27 0.00 0.00 62.75 59.49 2yye n ILE 191 Cb 0.30 -0.21 0.41 0.00 -1.74 0.00 0.00 39.64 38.40 2yye n ILE 191 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2yye h ASN 192 N 1.32 0.63 -0.51 7.28 -0.73 -1.49 -0.15 115.58 121.93 2yye h ASN 192 Ca 0.04 0.10 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 2yye h ASN 192 Cb 1.24 -0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.81 2yye h ASN 192 CO 0.18 0.16 0.02 -0.08 -0.37 0.00 0.00 177.43 177.34 2yye h GLU 193 N 0.58 0.88 -0.31 6.67 4.57 -1.89 -0.64 114.58 124.44 2yye h GLU 193 Ca 0.60 -0.27 -0.14 0.00 -1.18 0.00 0.00 59.36 58.37 2yye h GLU 193 Cb 1.19 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2yye h GLU 193 CO -0.38 0.90 -0.34 0.00 -1.18 0.00 0.00 179.01 178.02 2yye h ALA 194 N 0.95 0.46 -0.66 2.92 0.00 -1.55 -1.96 119.26 119.41 2yye h ALA 194 Ca 0.15 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.68 2yye h ALA 194 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2yye h ALA 194 CO 0.02 0.52 0.38 0.82 0.00 0.00 0.00 179.25 180.99 2yye h ILE 195 N 0.54 1.00 -0.35 0.00 1.08 -0.96 0.16 117.51 118.98 2yye h ILE 195 Ca 0.05 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 2yye h ILE 195 Cb 0.92 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 2yye h ILE 195 CO 0.08 0.13 0.18 -0.33 -0.69 0.00 0.00 178.15 177.52 2yye h GLU 196 N 0.71 0.50 -0.61 2.37 4.39 -1.00 -0.48 114.58 120.46 2yye h GLU 196 Ca 0.29 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 2yye h GLU 196 Cb 0.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 2yye h GLU 196 CO -0.16 0.44 0.26 -0.91 -1.16 0.00 0.00 179.01 177.48 2yye h ASN 197 N 0.43 0.80 0.02 1.42 2.35 -0.67 -1.60 115.58 118.33 2yye h ASN 197 Ca 0.12 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2yye h ASN 197 Cb 0.10 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2yye h ASN 197 CO -0.02 0.71 -0.38 0.24 -1.65 0.00 0.00 177.43 176.33 2yye h MET 198 N 0.87 0.47 0.00 0.81 2.86 -0.27 -2.94 114.93 116.73 2yye h MET 198 Ca 0.21 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 2yye h MET 198 Cb 0.14 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 2yye h MET 198 CO -0.02 0.78 -0.34 -0.07 1.06 0.00 0.00 176.91 178.32 2yye h LEU 199 N 0.39 0.00 -9.54 1.22 3.38 -0.73 -3.44 115.31 106.60 2yye h LEU 199 Ca 0.04 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.48 2yye h LEU 199 Cb 0.84 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.62 2yye h LEU 199 CO 0.07 0.34 0.85 0.00 0.09 0.00 0.00 178.44 179.79 2yye s ALA 200 N -3.39 3.68 0.45 1.53 0.00 -0.64 -4.83 121.76 118.57 2yye s ALA 200 Ca 0.02 1.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 2yye s ALA 200 Cb 0.09 -3.61 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 2yye s ALA 200 CO 0.68 -0.80 1.14 -0.51 0.00 0.00 0.00 175.76 176.28 2yye s LEU 201 N 1.53 4.02 -0.08 0.00 1.43 -1.26 -4.92 118.68 119.40 2yye s LEU 201 Ca 0.69 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 56.08 2yye s LEU 201 Cb -0.40 -4.24 0.25 0.00 0.03 0.00 0.00 46.19 41.83 2yye s LEU 201 CO 0.31 -0.85 0.93 0.59 0.23 0.00 0.00 176.35 177.55 2yye n ASN 202 N -0.44 2.55 -0.18 2.29 3.02 -1.26 -4.29 115.26 116.95 2yye n ASN 202 Ca 0.07 -2.31 -0.09 0.00 -0.03 0.00 0.00 54.58 52.22 2yye n ASN 202 Cb 0.48 -0.56 0.04 0.00 -0.61 0.00 0.00 39.78 39.13 2yye n ASN 202 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2yye h ASP 203 N 1.15 0.99 -0.48 6.41 2.03 -1.96 -0.99 116.42 123.56 2yye h ASP 203 Ca 0.02 -0.31 -0.12 0.00 -0.73 0.00 0.00 57.03 55.89 2yye h ASP 203 Cb 1.02 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 2yye h ASP 203 CO 0.17 1.09 -0.16 0.11 -1.03 0.00 0.00 179.24 179.41 2yye h LYS 204 N 0.90 0.97 -0.73 4.15 1.57 -1.92 -2.16 116.57 119.35 2yye h LYS 204 Ca 0.15 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 2yye h LYS 204 Cb 0.63 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2yye h LYS 204 CO 0.04 1.06 0.24 0.00 -0.57 0.00 0.00 179.45 180.23 2yye h ALA 205 N 0.88 0.95 -0.38 3.86 0.00 -1.83 -1.28 119.26 121.45 2yye h ALA 205 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2yye h ALA 205 Cb 0.73 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2yye h ALA 205 CO 0.06 0.62 0.10 -0.09 0.00 0.00 0.00 179.25 179.93 2yye h ARG 206 N 1.06 0.22 -0.51 0.00 2.43 -0.91 0.25 114.38 116.93 2yye h ARG 206 Ca 0.24 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2yye h ARG 206 Cb 0.28 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2yye h ARG 206 CO -0.01 0.15 0.33 -0.91 -1.51 0.00 0.00 179.97 178.02 2yye h ASN 207 N 0.23 0.59 0.19 -3.80 2.35 -1.01 -0.32 115.58 113.82 2yye h ASN 207 Ca 0.18 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 2yye h ASN 207 Cb 0.20 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2yye h ASN 207 CO -0.22 0.44 -0.13 0.25 -1.65 0.00 0.00 177.43 176.11 2yye h LEU 208 N 0.69 -0.34 -0.35 1.61 5.85 -0.70 1.00 115.31 123.07 2yye h LEU 208 Ca 0.19 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2yye h LEU 208 Cb -0.07 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 2yye h LEU 208 CO -0.04 -0.21 -0.18 -0.03 -0.34 0.00 0.00 178.44 177.64 2yye h MET 209 N -0.32 -0.12 -0.61 1.25 4.05 -0.23 -1.26 114.93 117.68 2yye h MET 209 Ca -0.01 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 2yye h MET 209 Cb 0.28 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 2yye h MET 209 CO 0.00 -0.08 0.02 -0.07 0.23 0.00 0.00 176.91 177.01 2yye h LEU 210 N -0.13 1.03 -1.85 3.39 3.38 -0.86 -2.58 115.31 117.69 2yye h LEU 210 Ca 0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2yye h LEU 210 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2yye h LEU 210 CO -0.43 1.07 0.03 -1.28 0.09 0.00 0.00 178.44 177.93 2yye h SER 211 N 0.97 0.11 -0.48 -0.43 0.87 -0.05 -1.57 113.55 112.97 2yye h SER 211 Ca 0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2yye h SER 211 Cb 0.53 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2yye h SER 211 CO 0.03 0.11 0.00 0.18 -0.53 0.00 0.00 176.83 176.62 2yye n LEU 212 N -4.49 2.80 -4.02 2.23 4.77 -0.55 -4.93 117.00 112.80 2yye n LEU 212 Ca -0.02 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.26 2yye n LEU 212 Cb 0.11 -0.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 2yye n LEU 212 CO 0.35 0.64 -0.07 0.47 -1.33 0.00 0.00 177.39 177.45 2yye n ASP 213 N 0.89 -2.48 -4.58 -1.43 8.00 -0.59 -4.71 116.55 111.64 2yye n ASP 213 Ca 0.17 -0.94 -0.41 0.00 0.71 0.00 0.00 54.79 54.32 2yye n ASP 213 Cb 0.47 -3.22 0.02 0.00 -0.02 0.00 0.00 41.12 38.36 2yye n ASP 213 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yye n ALA 214 N -4.45 -0.12 -0.01 2.24 0.00 -1.00 -4.91 120.51 112.25 2yye n ALA 214 Ca -0.09 0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 2yye n ALA 214 Cb 0.58 -2.03 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 2yye n ALA 214 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yye n THR 215 N -0.70 1.47 -3.81 0.00 -2.24 -0.44 -4.95 114.28 103.61 2yye n THR 215 Ca 0.10 -0.77 -0.12 0.00 -2.27 0.00 0.00 64.05 61.00 2yye n THR 215 Cb 0.40 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.63 2yye n THR 215 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2yye s ALA 216 N -2.69 -0.52 -0.06 6.98 0.00 -1.26 -3.82 121.76 120.39 2yye s ALA 216 Ca -0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 2yye s ALA 216 Cb 0.08 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.45 2yye s ALA 216 CO 0.82 -0.31 0.56 0.00 0.00 0.00 0.00 175.76 176.83 2yye s THR 218 N -1.05 0.00 0.13 0.00 -1.32 -0.43 -4.02 115.64 108.94 2yye s THR 218 Ca -0.10 -0.34 0.05 0.00 -1.21 0.00 0.00 61.69 60.09 2yye s THR 218 Cb -0.02 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 2yye s THR 218 CO 0.07 -0.01 0.06 1.51 -2.21 0.00 0.00 174.62 174.03 2yye s ASP 219 N -2.81 5.22 -0.39 8.08 -4.77 -1.26 0.87 116.67 121.60 2yye s ASP 219 Ca 0.04 -0.17 -0.19 0.00 -3.30 0.00 0.00 52.55 48.92 2yye s ASP 219 Cb -0.02 -1.29 0.01 0.00 -1.09 0.00 0.00 42.92 40.53 2yye s ASP 219 CO -0.07 0.13 0.58 -0.69 0.70 0.00 0.00 175.17 175.81 2yye s VAL 220 N -1.54 4.93 0.00 2.11 1.01 -0.17 -4.88 120.40 121.86 2yye s VAL 220 Ca 0.28 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.48 2yye s VAL 220 Cb -0.11 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.18 2yye s VAL 220 CO 0.21 -0.41 0.00 0.35 0.00 0.00 0.00 175.10 175.25 2yye n THR 221 N 5.62 0.00 -0.07 3.92 -2.24 -1.26 -2.55 114.28 117.69 2yye n THR 221 Ca -0.03 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.00 2yye n THR 221 Cb 0.48 0.00 0.71 0.00 -2.10 0.00 0.00 70.33 69.43 2yye n THR 221 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2yye h GLY 222 N 0.00 0.00 -2.04 3.38 0.00 -1.90 0.20 103.07 102.71 2yye h GLY 222 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2yye h GLY 222 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 2yye n PHE 223 N -3.95 0.72 -0.07 5.60 3.72 -1.26 -4.34 117.46 117.87 2yye n PHE 223 Ca 0.14 -0.36 0.01 0.00 -0.05 0.00 0.00 57.45 57.20 2yye n PHE 223 Cb 0.87 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.41 2yye n PHE 223 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yye n GLY 224 N 1.40 -2.27 0.26 1.37 0.00 -0.90 -3.07 105.19 101.96 2yye n GLY 224 Ca 0.19 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 2yye n GLY 224 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yye h LEU 225 N -0.07 0.69 -0.41 0.99 5.85 -1.62 -1.48 115.31 119.26 2yye h LEU 225 Ca -0.01 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2yye h LEU 225 Cb 0.07 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2yye h LEU 225 CO 0.00 0.49 0.13 -0.07 -0.34 0.00 0.00 178.44 178.64 2yye h LEU 226 N 0.82 0.59 -0.31 2.25 3.38 -1.70 0.00 115.31 120.34 2yye h LEU 226 Ca 0.25 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2yye h LEU 226 Cb -0.02 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2yye h LEU 226 CO -0.09 0.64 0.15 1.23 0.09 0.00 0.00 178.44 180.47 2yye h GLY 227 N 0.51 0.48 1.78 0.83 0.00 -1.44 -1.21 103.07 104.02 2yye h GLY 227 Ca 0.13 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 2yye h GLY 227 CO -0.00 0.22 -0.45 0.45 0.00 0.00 0.00 176.54 176.76 2yye h HIS 228 N 0.37 0.29 -0.52 5.60 3.86 -1.19 -2.51 115.15 121.05 2yye h HIS 228 Ca 0.11 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 2yye h HIS 228 Cb 0.11 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2yye h HIS 228 CO -0.02 0.66 -0.02 0.00 0.86 0.00 0.00 177.93 179.40 2yye h ALA 229 N 1.33 0.97 -0.28 2.45 0.00 -0.82 -2.78 119.26 120.14 2yye h ALA 229 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2yye h ALA 229 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2yye h ALA 229 CO 0.07 0.62 -0.03 2.35 0.00 0.00 0.00 179.25 182.26 2yye h TRP 230 N 0.83 0.45 -0.94 0.00 -0.00 -0.86 -2.09 115.95 113.33 2yye h TRP 230 Ca 0.15 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 59.02 2yye h TRP 230 Cb 0.53 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.16 29.51 2yye h TRP 230 CO 0.03 0.47 0.62 -0.91 -0.00 0.00 0.00 178.44 178.65 2yye h ASN 231 N 0.41 1.06 -0.05 2.65 -0.26 -1.17 0.69 115.58 118.91 2yye h ASN 231 Ca 0.09 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 2yye h ASN 231 Cb 0.33 -0.26 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 2yye h ASN 231 CO 0.01 0.76 0.01 0.40 -1.06 0.00 0.00 177.43 177.55 2yye h ILE 232 N 1.25 1.21 0.39 2.81 1.08 -1.39 -1.93 117.51 120.94 2yye h ILE 232 Ca 0.35 -0.64 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2yye h ILE 232 Cb -0.10 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 2yye h ILE 232 CO -0.09 0.18 -0.47 0.00 -0.69 0.00 0.00 178.15 177.08 2yye h LYS 234 N -0.89 0.48 0.00 0.00 3.64 0.30 0.17 116.57 120.27 2yye h LYS 234 Ca -0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 2yye h LYS 234 Cb 0.80 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2yye h LYS 234 CO -0.11 0.32 -0.20 -0.91 -2.27 0.00 0.00 179.45 176.29 2yye h ASN 235 N 0.50 0.00 -0.08 4.20 2.35 -1.13 -3.08 115.58 118.34 2yye h ASN 235 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 2yye h ASN 235 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2yye h ASN 235 CO -0.27 0.20 0.00 -1.20 -1.65 0.00 0.00 177.43 174.51 2yye n SER 236 N -3.27 2.72 -3.64 5.81 7.64 0.05 -4.47 113.62 118.46 2yye n SER 236 Ca 0.01 -1.83 -0.20 0.00 1.01 0.00 0.00 58.87 57.86 2yye n SER 236 Cb 0.47 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.68 2yye n SER 236 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2yye n ASN 237 N 1.11 -1.46 -0.62 6.43 5.03 0.56 -4.85 115.26 121.46 2yye n ASN 237 Ca 0.12 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.79 2yye n ASN 237 Cb 0.49 -4.28 0.00 0.00 -1.02 0.00 0.00 39.78 34.97 2yye n ASN 237 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2yye n ILE 238 N -4.22 0.00 -4.46 2.41 -5.35 -0.86 -4.92 119.36 101.94 2yye n ILE 238 Ca -0.29 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 61.94 2yye n ILE 238 Cb 0.68 0.00 -0.08 0.00 -1.74 0.00 0.00 39.64 38.50 2yye n ILE 238 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2yye s GLY 239 N -0.62 2.65 -0.01 3.28 0.00 0.15 -4.37 107.32 108.40 2yye s GLY 239 Ca 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 2yye s GLY 239 CO 0.00 -1.74 0.04 0.00 0.00 0.00 0.00 173.10 171.40 2yye s ALA 240 N -3.23 -0.10 -0.24 3.20 0.00 -0.68 -0.37 121.76 120.35 2yye s ALA 240 Ca 0.27 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.28 2yye s ALA 240 Cb 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.09 2yye s ALA 240 CO 0.19 -0.03 -0.05 0.50 0.00 0.00 0.00 175.76 176.37 2yye s ARG 241 N -0.09 3.02 -0.09 0.00 3.52 0.20 -0.35 118.95 125.17 2yye s ARG 241 Ca -0.01 -0.86 0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2yye s ARG 241 Cb -0.01 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.36 2yye s ARG 241 CO 0.00 -0.34 -0.18 0.42 -0.81 0.00 0.00 175.30 174.39 2yye s ILE 242 N 1.38 2.63 -0.38 4.11 1.01 0.11 -1.71 121.20 128.35 2yye s ILE 242 Ca 0.02 -0.84 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 2yye s ILE 242 Cb -0.16 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2yye s ILE 242 CO -0.04 0.56 0.27 -0.36 0.00 0.00 0.00 174.94 175.37 2yye s PHE 243 N -0.06 3.23 0.30 3.97 0.40 -0.80 -0.92 117.98 124.11 2yye s PHE 243 Ca -0.05 -0.50 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 2yye s PHE 243 Cb -0.14 -2.54 0.75 0.00 0.51 0.00 0.00 43.02 41.61 2yye s PHE 243 CO 0.04 -0.52 1.71 0.35 0.70 0.00 0.00 175.22 177.50 2yye h PHE 244 N 8.56 0.74 0.00 0.36 3.04 -0.89 0.20 116.94 128.95 2yye h PHE 244 Ca -0.28 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 61.70 2yye h PHE 244 Cb 1.13 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.46 2yye h PHE 244 CO 0.59 -0.01 -0.02 0.93 -2.02 0.00 0.00 178.31 177.78 2yye h GLU 245 N 0.45 0.00 -0.01 1.11 4.39 -1.94 -1.98 114.58 116.60 2yye h GLU 245 Ca 0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.27 2yye h GLU 245 Cb 1.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 2yye h GLU 245 CO -0.51 0.02 -0.21 1.63 -1.16 0.00 0.00 179.01 178.79 2yye n LYS 246 N -3.35 1.30 -3.06 2.33 5.02 0.69 -4.92 118.16 116.17 2yye n LYS 246 Ca -0.02 -0.89 -0.40 0.00 -2.02 0.00 0.00 58.31 54.97 2yye n LYS 246 Cb 0.13 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 2yye n LYS 246 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2yye s VAL 247 N -2.31 5.00 0.13 -0.18 1.01 -0.75 -4.53 120.40 118.77 2yye s VAL 247 Ca 0.27 1.34 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 2yye s VAL 247 Cb 0.20 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 2yye s VAL 247 CO 0.46 0.13 1.16 -2.16 0.00 0.00 0.00 175.10 174.69 2yye s PRO 248 N 1.66 4.50 0.13 2.72 0.04 -1.26 -5.00 135.00 137.79 2yye s PRO 248 Ca 0.33 1.76 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 2yye s PRO 248 Cb -0.16 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.12 2yye s PRO 248 CO 0.13 -0.10 0.48 1.52 0.04 0.00 0.00 177.00 179.07 2yye s TYR 249 N 0.36 -0.34 0.10 0.56 1.13 -1.26 -1.43 117.35 116.47 2yye s TYR 249 Ca 0.54 0.09 -0.30 0.00 -1.41 0.00 0.00 57.07 55.98 2yye s TYR 249 Cb -0.30 0.37 -0.06 0.00 -1.10 0.00 0.00 41.96 40.88 2yye s TYR 249 CO 0.33 -0.75 1.05 0.71 -2.51 0.00 0.00 175.55 174.38 2yye s TYR 250 N -3.69 3.65 0.28 -3.49 1.51 -1.22 -4.93 117.35 109.46 2yye s TYR 250 Ca 0.02 1.63 0.02 0.00 -1.01 0.00 0.00 57.07 57.72 2yye s TYR 250 Cb 0.01 -3.20 0.65 0.00 -0.11 0.00 0.00 41.96 39.30 2yye s TYR 250 CO -0.12 -0.35 1.71 0.37 -1.11 0.00 0.00 175.55 176.05 2yye h GLN 251 N 5.89 0.44 -0.41 -0.62 5.75 -2.01 0.36 115.11 124.51 2yye h GLN 251 Ca -0.43 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.07 2yye h GLN 251 Cb 1.21 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.64 2yye h GLN 251 CO 0.74 0.29 0.27 1.25 -2.65 0.00 0.00 178.83 178.73 2yye h LEU 252 N 0.45 0.41 -0.79 -2.39 5.85 -1.98 -1.52 115.31 115.34 2yye h LEU 252 Ca 0.52 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.18 2yye h LEU 252 Cb 0.91 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2yye h LEU 252 CO -0.48 0.29 0.25 0.28 -0.34 0.00 0.00 178.44 178.44 2yye h SER 253 N 0.48 1.07 -0.34 1.25 0.02 -1.22 -1.32 113.55 113.48 2yye h SER 253 Ca 0.16 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.81 2yye h SER 253 Cb 0.06 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2yye h SER 253 CO -0.04 0.98 -0.21 -0.08 -1.14 0.00 0.00 176.83 176.34 2yye h GLU 254 N 1.11 0.75 -0.64 3.45 4.81 -1.18 -1.03 114.58 121.85 2yye h GLU 254 Ca 0.24 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 59.08 2yye h GLU 254 Cb 0.28 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 2yye h GLU 254 CO -0.01 0.97 0.23 -0.91 -0.73 0.00 0.00 179.01 178.56 2yye h ASN 255 N 0.53 0.91 -0.18 1.04 2.35 -1.12 -2.42 115.58 116.69 2yye h ASN 255 Ca 0.07 -0.19 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 2yye h ASN 255 Cb 0.77 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2yye h ASN 255 CO 0.06 0.85 -0.32 -0.07 -1.65 0.00 0.00 177.43 176.30 2yye h LEU 256 N 0.91 0.59 -1.22 1.61 3.38 -1.26 -3.17 115.31 116.15 2yye h LEU 256 Ca 0.21 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2yye h LEU 256 Cb 0.25 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2yye h LEU 256 CO -0.01 1.02 0.00 1.62 0.09 0.00 0.00 178.44 181.16 2yye h VAL 257 N 0.18 1.20 0.00 1.22 3.04 -1.13 -0.40 116.25 120.37 2yye h VAL 257 Ca 0.01 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 2yye h VAL 257 Cb 0.92 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2yye h VAL 257 CO 0.07 0.27 -0.03 0.11 -1.01 0.00 0.00 177.57 176.98 2yye h LYS 258 N 0.51 0.00 -0.71 4.17 1.57 -1.49 -0.88 116.57 119.75 2yye h LYS 258 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2yye h LYS 258 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2yye h LYS 258 CO 0.01 0.03 0.12 1.63 -0.57 0.00 0.00 179.45 180.67 2yye n LYS 259 N -3.17 3.96 -2.26 3.15 5.02 -0.27 -4.89 118.16 119.70 2yye n LYS 259 Ca -0.00 -2.74 -0.18 0.00 -2.02 0.00 0.00 58.31 53.37 2yye n LYS 259 Cb 0.27 -2.15 -0.02 0.00 -0.02 0.00 0.00 35.03 33.11 2yye n LYS 259 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2yye n LYS 260 N 0.25 -1.79 -3.47 1.97 5.02 -0.33 -4.94 118.16 114.86 2yye n LYS 260 Ca 0.30 0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 57.06 2yye n LYS 260 Cb 1.18 -5.49 -0.08 0.00 -0.02 0.00 0.00 35.03 30.61 2yye n LYS 260 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2yye s ILE 261 N -2.83 4.84 0.14 -0.18 1.01 -0.52 -5.01 121.20 118.65 2yye s ILE 261 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 60.65 59.18 2yye s ILE 261 Cb 0.00 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.60 2yye s ILE 261 CO 0.00 -0.57 0.75 -0.72 0.00 0.00 0.00 174.94 174.40 2yye s TYR 262 N 1.55 -0.35 0.23 3.97 -0.85 -1.26 -3.58 117.35 117.05 2yye s TYR 262 Ca 0.04 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.38 2yye s TYR 262 Cb -0.24 0.60 -0.09 0.00 0.38 0.00 0.00 41.96 42.61 2yye s TYR 262 CO 0.05 -0.86 1.08 -1.25 -1.52 0.00 0.00 175.55 173.05 2yye s PRO 263 N -3.56 4.65 0.64 -3.49 0.04 -1.26 -4.88 135.00 127.13 2yye s PRO 263 Ca 0.06 1.72 0.32 0.00 0.04 0.00 0.00 61.00 63.14 2yye s PRO 263 Cb -0.02 -3.24 1.76 0.00 0.04 0.00 0.00 34.50 33.03 2yye s PRO 263 CO -0.05 0.19 2.04 1.57 0.04 0.00 0.00 177.00 180.79 2yye h LYS 264 N 4.45 0.00 -0.08 4.56 2.10 -0.72 0.11 116.57 126.98 2yye h LYS 264 Ca -0.45 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.18 2yye h LYS 264 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 2yye h LYS 264 CO 0.69 0.00 -0.03 0.78 -2.00 0.00 0.00 179.45 178.89 2yye h GLY 265 N 0.00 0.11 1.08 0.07 0.00 -1.38 -2.34 103.07 100.61 2yye h GLY 265 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2yye h GLY 265 CO -0.00 0.05 0.50 0.00 0.00 0.00 0.00 176.54 177.09 2yye h ALA 266 N 1.87 1.22 -0.42 3.60 0.00 -1.04 -1.12 119.26 123.37 2yye h ALA 266 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2yye h ALA 266 Cb 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2yye h ALA 266 CO 0.01 0.64 -0.21 0.82 0.00 0.00 0.00 179.25 180.50 2yye h ILE 267 N 1.22 1.28 -0.64 0.00 1.08 -1.56 -0.86 117.51 118.03 2yye h ILE 267 Ca 0.31 -1.36 -0.07 0.00 -0.39 0.00 0.00 64.86 63.35 2yye h ILE 267 Cb 0.00 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 2yye h ILE 267 CO -0.05 0.46 0.12 -0.33 -0.69 0.00 0.00 178.15 177.66 2yye h GLU 268 N 0.70 1.05 -0.72 2.37 5.08 -1.24 0.50 114.58 122.31 2yye h GLU 268 Ca 0.09 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2yye h GLU 268 Cb 0.78 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2yye h GLU 268 CO 0.06 0.96 0.23 -0.91 -1.00 0.00 0.00 179.01 178.35 2yye h ASN 269 N 0.96 1.05 0.16 1.42 2.35 -1.06 -1.39 115.58 119.08 2yye h ASN 269 Ca 0.20 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2yye h ASN 269 Cb 0.41 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2yye h ASN 269 CO 0.01 0.98 -0.08 0.25 -1.65 0.00 0.00 177.43 176.94 2yye h LEU 270 N 1.07 -0.18 -1.44 1.61 6.46 -0.75 -2.80 115.31 119.28 2yye h LEU 270 Ca 0.23 -0.07 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 2yye h LEU 270 Cb 0.30 0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2yye h LEU 270 CO -0.01 -0.05 0.46 0.78 -0.62 0.00 0.00 178.44 179.00 2yye h ASN 271 N -0.31 0.58 -0.49 1.25 2.35 -0.63 -1.83 115.58 116.50 2yye h ASN 271 Ca -0.02 0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2yye h ASN 271 Cb 0.24 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2yye h ASN 271 CO 0.04 0.37 -0.02 0.15 -1.65 0.00 0.00 177.43 176.31 2yye h PHE 272 N 0.66 0.96 0.00 1.19 3.04 -1.00 -3.16 116.94 118.63 2yye h PHE 272 Ca 0.31 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2yye h PHE 272 Cb 0.37 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.63 2yye h PHE 272 CO -0.00 0.91 -0.12 1.33 -2.02 0.00 0.00 178.31 178.41 2yye n VAL 273 N -4.31 0.50 0.18 1.41 0.24 -0.93 -3.85 118.33 111.57 2yye n VAL 273 Ca 0.01 -0.26 0.11 0.00 -2.04 0.00 0.00 64.34 62.15 2yye n VAL 273 Cb 0.33 -0.48 0.56 0.00 -1.47 0.00 0.00 33.84 32.79 2yye n VAL 273 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2yye h LYS 274 N 0.00 0.00 0.00 7.34 1.57 -1.31 0.10 116.57 124.27 2yye h LYS 274 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2yye h LYS 274 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2yye h LYS 274 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97 2yye n ASN 275 N -2.28 0.00 0.00 0.86 3.02 -1.25 -3.38 115.26 112.24 2yye n ASN 275 Ca -0.01 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 2yye n ASN 275 Cb 0.15 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 2yye n ASN 275 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2yye n TYR 276 N -1.35 0.00 -3.27 3.10 4.01 0.25 -5.09 117.16 114.82 2yye n TYR 276 Ca 0.11 -0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.46 2yye n TYR 276 Cb 0.25 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 2yye n TYR 276 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2yye s LEU 277 N -0.03 4.30 -0.31 7.72 2.96 -0.60 -0.87 118.68 131.85 2yye s LEU 277 Ca 0.00 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.85 2yye s LEU 277 Cb 0.00 -2.77 0.08 0.00 0.50 0.00 0.00 46.19 44.00 2yye s LEU 277 CO 0.00 -0.00 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.47 2yye s LYS 278 N 0.56 1.78 -0.09 1.98 1.02 0.23 -4.95 119.74 120.27 2yye s LYS 278 Ca 0.28 -1.67 -0.30 0.00 0.02 0.00 0.00 55.97 54.30 2yye s LYS 278 Cb -0.16 -3.08 0.08 0.00 -0.52 0.00 0.00 37.83 34.14 2yye s LYS 278 CO 0.12 -0.79 0.72 0.45 -0.92 0.00 0.00 175.35 174.93 2yye s SER 279 N 0.98 -0.64 -0.05 2.83 0.15 -1.26 -1.94 113.70 113.77 2yye s SER 279 Ca 0.03 0.78 0.07 0.00 0.70 0.00 0.00 55.95 57.53 2yye s SER 279 Cb -0.19 0.63 0.11 0.00 -1.71 0.00 0.00 66.02 64.86 2yye s SER 279 CO -0.07 -0.53 1.04 -0.46 1.20 0.00 0.00 173.24 174.42 2yye n ASN 280 N 1.13 2.03 -4.77 5.45 0.23 -1.26 -5.06 115.26 113.01 2yye n ASN 280 Ca -0.17 -2.38 -0.31 0.00 -0.53 0.00 0.00 54.58 51.19 2yye n ASN 280 Cb 0.57 -0.17 0.09 0.00 -2.08 0.00 0.00 39.78 38.19 2yye n ASN 280 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2yye s LEU 281 N -1.65 3.08 0.73 -4.53 1.43 -1.26 -5.00 118.68 111.48 2yye s LEU 281 Ca 0.12 1.86 -0.14 0.00 -1.03 0.00 0.00 54.13 54.94 2yye s LEU 281 Cb 0.10 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.84 2yye s LEU 281 CO 0.01 -2.01 1.16 -1.81 0.23 0.00 0.00 176.35 173.93 2yye s ASP 282 N -3.24 4.42 0.40 2.29 1.01 -1.26 -4.86 116.67 115.43 2yye s ASP 282 Ca 0.62 2.16 0.10 0.00 0.71 0.00 0.00 52.55 56.14 2yye s ASP 282 Cb -0.18 -2.57 0.82 0.00 1.01 0.00 0.00 42.92 42.01 2yye s ASP 282 CO 0.54 -2.10 1.95 0.78 0.21 0.00 0.00 175.17 176.54 2yye h ASN 283 N -0.41 0.25 0.01 0.27 2.35 -1.99 -2.12 115.58 113.93 2yye h ASN 283 Ca -0.46 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.24 2yye h ASN 283 Cb 1.27 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 2yye h ASN 283 CO 0.51 0.35 -0.00 4.11 -1.65 0.00 0.00 177.43 180.74 2yye h TRP 284 N 0.26 0.00 0.03 1.19 5.08 -1.92 0.12 115.95 120.70 2yye h TRP 284 Ca 0.06 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.85 2yye h TRP 284 Cb 0.29 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 26.47 2yye h TRP 284 CO 0.00 0.00 -0.72 0.87 -1.28 0.00 0.00 178.44 177.32 2yye h LYS 285 N 0.00 0.44 0.00 0.12 1.57 -1.75 -2.38 116.57 114.57 2yye h LYS 285 Ca -0.00 -0.51 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 2yye h LYS 285 Cb 0.01 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2yye h LYS 285 CO 0.00 1.16 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.66 2yye h LEU 286 N -0.07 0.00 -0.08 2.94 3.38 -1.21 -1.18 115.31 119.09 2yye h LEU 286 Ca -0.10 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2yye h LEU 286 Cb 1.44 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.19 2yye h LEU 286 CO 0.14 0.32 -0.47 0.40 0.09 0.00 0.00 178.44 178.92 2yye h ILE 287 N 0.00 1.39 -0.71 1.22 2.04 -0.78 -2.33 117.51 118.34 2yye h ILE 287 Ca -0.00 -1.83 0.03 0.00 1.00 0.00 0.00 64.86 64.06 2yye h ILE 287 Cb 0.66 2.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 2yye h ILE 287 CO 0.04 0.54 0.44 0.25 0.00 0.00 0.00 178.15 179.43 2yye h LEU 288 N 0.03 0.73 -1.15 1.44 6.46 -1.17 -0.04 115.31 121.60 2yye h LEU 288 Ca -0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.73 2yye h LEU 288 Cb 1.12 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 2yye h LEU 288 CO 0.10 0.50 0.00 -0.07 -0.62 0.00 0.00 178.44 178.35 2yye h LEU 289 N 0.87 0.00 0.00 2.25 3.38 -1.20 -3.11 115.31 117.50 2yye h LEU 289 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2yye h LEU 289 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2yye h LEU 289 CO -0.11 0.00 -1.21 -1.20 0.09 0.00 0.00 178.44 176.01 2yye n SER 290 N -2.94 0.70 -4.65 -0.43 7.64 -0.75 -2.10 113.62 111.09 2yye n SER 290 Ca 0.01 -0.63 -0.47 0.00 1.01 0.00 0.00 58.87 58.80 2yye n SER 290 Cb 0.32 1.17 -0.04 0.00 -1.01 0.00 0.00 64.21 64.65 2yye n SER 290 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2yye n ASP 291 N -1.74 2.74 -4.75 6.43 4.64 -0.10 -3.77 116.55 119.99 2yye n ASP 291 Ca 0.02 1.10 -0.41 0.00 -1.38 0.00 0.00 54.79 54.12 2yye n ASP 291 Cb 0.40 -1.38 -0.01 0.00 -1.04 0.00 0.00 41.12 39.08 2yye n ASP 291 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2yye n PRO 292 N 2.92 2.72 -4.50 -0.67 -0.04 -1.26 -3.84 135.00 130.34 2yye n PRO 292 Ca 0.16 0.96 -0.33 0.00 -0.04 0.00 0.00 63.50 64.25 2yye n PRO 292 Cb 0.28 -2.74 -0.10 0.00 -0.04 0.00 0.00 33.50 30.89 2yye n PRO 292 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2yye s VAL 293 N -0.24 3.75 -0.18 0.52 1.01 0.01 -2.08 120.40 123.19 2yye s VAL 293 Ca 0.62 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 2yye s VAL 293 Cb -0.49 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 2yye s VAL 293 CO 0.52 0.48 0.00 -0.89 0.00 0.00 0.00 175.10 175.21 2yye s THR 294 N -0.93 4.15 -1.43 3.92 2.01 -1.26 -3.03 115.64 119.07 2yye s THR 294 Ca 0.15 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2yye s THR 294 Cb -0.11 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.57 2yye s THR 294 CO 0.05 0.46 0.51 -0.24 -0.69 0.00 0.00 174.62 174.71 2yye n SER 295 N 3.79 -0.91 -3.71 3.53 2.88 -1.26 -4.75 113.62 113.19 2yye n SER 295 Ca -0.17 -0.98 -0.30 0.00 -1.33 0.00 0.00 58.87 56.09 2yye n SER 295 Cb 0.52 -3.18 0.24 0.00 -0.75 0.00 0.00 64.21 61.05 2yye n SER 295 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yye s GLY 296 N -4.21 1.64 0.31 0.46 0.00 -1.06 -4.49 107.32 99.96 2yye s GLY 296 Ca 0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 2yye s GLY 296 CO 0.88 -0.20 0.42 0.61 0.00 0.00 0.00 173.10 174.81 2yye n GLY 297 N -1.56 -0.15 3.84 0.20 0.00 -1.26 -4.55 105.19 101.71 2yye n GLY 297 Ca 0.15 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 2yye n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yye s LEU 298 N 0.00 4.27 -0.19 0.99 1.43 -1.26 -1.00 118.68 122.92 2yye s LEU 298 Ca 0.26 1.18 0.01 0.00 -1.03 0.00 0.00 54.13 54.55 2yye s LEU 298 Cb -0.01 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.69 2yye s LEU 298 CO 0.18 0.01 -0.19 -0.22 0.23 0.00 0.00 176.35 176.36 2yye s LEU 299 N -2.25 2.22 0.18 1.79 2.96 0.25 -1.82 118.68 122.02 2yye s LEU 299 Ca 0.43 -0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2yye s LEU 299 Cb -0.14 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 2yye s LEU 299 CO 0.20 -0.02 0.24 0.72 -1.32 0.00 0.00 176.35 176.17 2yye s PHE 300 N 1.29 0.68 -0.08 5.38 -0.12 -0.32 -1.32 117.98 123.49 2yye s PHE 300 Ca 0.04 -1.00 0.02 0.00 -0.05 0.00 0.00 56.93 55.93 2yye s PHE 300 Cb -0.14 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.01 2yye s PHE 300 CO -0.12 -0.72 -0.11 0.95 -0.05 0.00 0.00 175.22 175.17 2yye s THR 301 N -4.04 3.34 0.22 -4.49 -4.23 -0.91 -0.15 115.64 105.38 2yye s THR 301 Ca 0.25 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 60.11 2yye s THR 301 Cb 0.04 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2yye s THR 301 CO 0.05 0.58 0.25 0.27 -0.54 0.00 0.00 174.62 175.23 2yye s ILE 302 N -0.51 0.00 0.18 2.99 -4.36 -0.81 -1.32 121.20 117.36 2yye s ILE 302 Ca 0.07 -1.80 -0.15 0.00 -0.26 0.00 0.00 60.65 58.51 2yye s ILE 302 Cb -0.12 -2.40 -0.07 0.00 1.25 0.00 0.00 42.46 41.11 2yye s ILE 302 CO 0.02 0.00 0.59 0.20 0.24 0.00 0.00 174.94 175.99 2yye s ASN 303 N -3.12 6.83 0.26 4.36 0.01 -1.26 -0.90 114.94 121.12 2yye s ASN 303 Ca 0.34 1.12 -0.02 0.00 -0.71 0.00 0.00 52.86 53.59 2yye s ASN 303 Cb 0.04 -2.31 0.55 0.00 0.41 0.00 0.00 41.25 39.95 2yye s ASN 303 CO 0.11 0.05 1.70 0.11 -1.51 0.00 0.00 177.10 177.56 2yye h LYS 304 N 3.34 0.34 -1.20 -0.60 1.57 -1.97 0.32 116.57 118.36 2yye h LYS 304 Ca -0.48 -0.02 0.34 0.00 -1.87 0.00 0.00 60.65 58.62 2yye h LYS 304 Cb 1.19 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 2yye h LYS 304 CO 0.66 0.22 0.83 1.05 -0.57 0.00 0.00 179.45 181.65 2yye h GLU 305 N 0.35 0.11 0.00 3.15 4.11 -2.00 0.49 114.58 120.78 2yye h GLU 305 Ca 0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2yye h GLU 305 Cb 0.81 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2yye h GLU 305 CO -0.50 0.07 0.00 1.63 0.07 0.00 0.00 179.01 180.28 2yye n LYS 306 N -4.32 0.08 0.00 1.06 4.76 0.11 -2.94 118.16 116.91 2yye n LYS 306 Ca 0.27 0.28 0.03 0.00 -2.87 0.00 0.00 58.31 56.03 2yye n LYS 306 Cb 1.20 -1.64 0.15 0.00 -1.84 0.00 0.00 35.03 32.90 2yye n LYS 306 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2yye n LEU 307 N -1.80 0.00 0.01 -0.35 4.77 0.17 -3.73 117.00 116.07 2yye n LEU 307 Ca 0.03 0.49 -0.15 0.00 -0.03 0.00 0.00 56.01 56.35 2yye n LEU 307 Cb 0.22 -0.49 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 2yye n LEU 307 CO 0.18 -0.37 0.52 -0.33 -1.33 0.00 0.00 177.39 176.06 2yye h GLU 308 N 0.00 -0.57 -0.23 3.23 5.08 -1.73 -3.10 114.58 117.27 2yye h GLU 308 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2yye h GLU 308 Cb 0.12 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2yye h GLU 308 CO 0.00 -0.38 0.00 1.17 -1.00 0.00 0.00 179.01 178.80 2yye n LYS 309 N -5.44 2.69 0.07 2.33 4.81 -1.25 -4.73 118.16 116.64 2yye n LYS 309 Ca -0.06 -2.67 -0.12 0.00 -0.87 0.00 0.00 58.31 54.59 2yye n LYS 309 Cb 0.38 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.68 2yye n LYS 309 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 2yye h ILE 310 N 1.52 0.73 -0.01 3.15 2.10 -1.62 0.32 117.51 123.70 2yye h ILE 310 Ca 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 64.86 65.86 2yye h ILE 310 Cb 1.27 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2yye h ILE 310 CO 0.16 0.00 -0.39 -2.24 -1.08 0.00 0.00 178.15 174.60 2yye h ASP 311 N -0.21 0.02 0.09 2.19 2.03 -1.85 0.21 116.42 118.90 2yye h ASP 311 Ca 0.03 -0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2yye h ASP 311 Cb 0.24 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 2yye h ASP 311 CO -0.08 0.41 -0.04 -0.08 -1.03 0.00 0.00 179.24 178.41 2yye h GLU 312 N 0.02 -0.12 -0.07 4.15 4.81 -1.77 -1.15 114.58 120.45 2yye h GLU 312 Ca -0.00 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2yye h GLU 312 Cb 0.69 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2yye h GLU 312 CO 0.05 0.28 -0.13 1.15 -0.73 0.00 0.00 179.01 179.63 2yye h THR 313 N -0.53 0.66 -0.77 0.32 2.02 -0.13 -1.91 112.91 112.57 2yye h THR 313 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.27 2yye h THR 313 Cb 0.44 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 67.44 2yye h THR 313 CO 0.02 0.00 0.40 0.00 0.37 0.00 0.00 175.52 176.31 2yye h ALA 314 N 0.84 1.09 0.51 6.16 0.00 -0.58 -1.14 119.26 126.13 2yye h ALA 314 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2yye h ALA 314 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2yye h ALA 314 CO -0.18 -0.02 -0.35 0.87 0.00 0.00 0.00 179.25 179.56 2yye h LYS 315 N 0.65 -0.79 -0.93 0.00 1.57 -0.44 0.59 116.57 117.21 2yye h LYS 315 Ca 0.39 0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.40 2yye h LYS 315 Cb 0.43 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2yye h LYS 315 CO -0.29 -0.53 0.60 1.05 -0.57 0.00 0.00 179.45 179.72 2yye h GLU 316 N -0.82 0.57 0.00 3.15 4.11 -1.28 0.79 114.58 121.10 2yye h GLU 316 Ca -0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.36 59.25 2yye h GLU 316 Cb 0.67 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2yye h GLU 316 CO 0.04 0.38 -0.37 -0.07 0.07 0.00 0.00 179.01 179.06 2yye h LEU 317 N 0.59 0.00 -2.50 3.06 3.38 -0.89 -3.48 115.31 115.47 2yye h LEU 317 Ca 0.49 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.29 2yye h LEU 317 Cb 0.97 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.84 2yye h LEU 317 CO -0.24 0.37 -0.54 -0.62 0.09 0.00 0.00 178.44 177.51 2yye n GLU 318 N -3.27 -1.90 -3.76 1.13 1.02 0.20 -4.92 120.64 109.13 2yye n GLU 318 Ca 0.02 0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 57.58 2yye n GLU 318 Cb 0.62 -4.32 -0.13 0.00 -0.02 0.00 0.00 31.44 27.59 2yye n GLU 318 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2yye s VAL 319 N -3.24 -0.03 0.55 2.62 0.11 -0.79 -5.00 120.40 114.62 2yye s VAL 319 Ca 0.24 0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.34 2yye s VAL 319 Cb -0.03 -0.31 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 2yye s VAL 319 CO 0.47 0.04 0.84 0.20 -3.33 0.00 0.00 175.10 173.32 2yye s ASN 320 N 0.80 5.73 0.00 3.54 0.01 -1.26 -4.54 114.94 119.21 2yye s ASN 320 Ca -0.06 0.66 -0.20 0.00 -0.71 0.00 0.00 52.86 52.56 2yye s ASN 320 Cb -0.07 -1.75 0.04 0.00 0.41 0.00 0.00 41.25 39.88 2yye s ASN 320 CO -0.05 -0.93 0.43 -0.72 -1.51 0.00 0.00 177.10 174.32 2yye s TYR 321 N -2.88 -0.32 -0.02 2.20 -0.85 -1.26 -4.48 117.35 109.75 2yye s TYR 321 Ca 0.52 0.43 0.01 0.00 -0.52 0.00 0.00 57.07 57.51 2yye s TYR 321 Cb -0.10 0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.46 2yye s TYR 321 CO 0.44 -0.51 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.37 2yye s TRP 322 N -1.76 0.28 -0.36 -3.49 0.51 0.16 -4.97 118.94 109.31 2yye s TRP 322 Ca -0.10 -0.01 -0.21 0.00 -2.12 0.00 0.00 56.10 53.66 2yye s TRP 322 Cb -0.02 -0.30 0.00 0.00 -0.81 0.00 0.00 33.47 32.34 2yye s TRP 322 CO 0.03 -0.08 0.64 0.42 -0.51 0.00 0.00 176.95 177.45 2yye s ILE 323 N 0.58 4.88 -0.96 2.03 1.01 -1.26 -0.88 121.20 126.60 2yye s ILE 323 Ca -0.06 0.59 0.13 0.00 0.00 0.00 0.00 60.65 61.31 2yye s ILE 323 Cb -0.09 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 2yye s ILE 323 CO -0.01 -0.33 0.67 2.30 0.00 0.00 0.00 174.94 177.57 2yye n ILE 324 N 5.60 0.00 -3.62 2.92 -5.35 -0.57 -4.84 119.36 113.51 2yye n ILE 324 Ca -0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2yye n ILE 324 Cb 0.49 1.09 0.00 0.00 -1.74 0.00 0.00 39.64 39.47 2yye n ILE 324 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yye n GLY 325 N 1.15 -0.82 3.16 3.28 0.00 -1.24 -1.90 105.19 108.82 2yye n GLY 325 Ca 0.04 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2yye n GLY 325 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yye s GLU 326 N -1.24 0.74 0.31 1.61 -1.05 -0.70 -0.21 118.70 118.16 2yye s GLU 326 Ca 0.00 -1.03 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 2yye s GLU 326 Cb 0.00 0.29 -0.09 0.00 -0.44 0.00 0.00 34.13 33.89 2yye s GLU 326 CO 0.00 -0.20 0.75 0.95 0.95 0.00 0.00 175.26 177.70 2yye s THR 327 N -3.76 4.64 0.26 1.83 -4.23 -0.22 -0.63 115.64 113.55 2yye s THR 327 Ca 0.05 1.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.62 2yye s THR 327 Cb 0.05 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 2yye s THR 327 CO -0.10 -0.12 0.05 0.27 -0.54 0.00 0.00 174.62 174.18 2yye s ILE 328 N -1.91 0.89 0.05 2.99 -4.36 0.51 -1.61 121.20 117.76 2yye s ILE 328 Ca 0.52 -2.01 -0.19 0.00 -0.26 0.00 0.00 60.65 58.71 2yye s ILE 328 Cb -0.11 -2.56 -0.14 0.00 1.25 0.00 0.00 42.46 40.90 2yye s ILE 328 CO 0.18 -0.13 1.32 0.00 0.24 0.00 0.00 174.94 176.55 2yye h ALA 329 N 2.36 0.24 -2.69 2.27 0.00 -1.95 0.44 119.26 119.93 2yye h ALA 329 Ca -0.39 -0.38 -0.52 0.00 0.00 0.00 0.00 54.91 53.62 2yye h ALA 329 Cb 1.24 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 19.04 2yye h ALA 329 CO 0.64 0.21 0.95 -2.00 0.00 0.00 0.00 179.25 179.05 2yye s GLU 330 N -4.15 4.15 -1.44 0.00 2.12 -1.26 -4.27 118.70 113.84 2yye s GLU 330 Ca -0.14 2.54 -0.14 0.00 0.36 0.00 0.00 54.97 57.59 2yye s GLU 330 Cb 0.06 -3.08 0.02 0.00 0.26 0.00 0.00 34.13 31.39 2yye s GLU 330 CO 0.78 -0.68 2.29 0.09 -0.54 0.00 0.00 175.26 177.20 2yye n ASN 331 N 3.48 4.31 -4.08 -1.70 5.03 -1.26 -2.78 115.26 118.25 2yye n ASN 331 Ca 0.13 -2.80 -0.10 0.00 0.87 0.00 0.00 54.58 52.68 2yye n ASN 331 Cb 0.37 -1.62 -0.07 0.00 -1.02 0.00 0.00 39.78 37.43 2yye n ASN 331 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2yye s VAL 332 N 3.17 0.01 -0.31 2.41 0.11 -1.26 -4.93 120.40 119.60 2yye s VAL 332 Ca 0.50 -1.66 -0.03 0.00 -2.93 0.00 0.00 61.98 57.85 2yye s VAL 332 Cb 0.14 -2.30 0.05 0.00 -1.53 0.00 0.00 36.38 32.74 2yye s VAL 332 CO -0.08 -0.03 0.03 -0.22 -3.33 0.00 0.00 175.10 171.47 2yye s LEU 333 N -3.07 3.99 -0.36 2.54 2.96 -0.05 -1.68 118.68 123.01 2yye s LEU 333 Ca 0.29 -1.23 -0.13 0.00 -0.22 0.00 0.00 54.13 52.84 2yye s LEU 333 Cb 0.03 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2yye s LEU 333 CO 0.10 -0.27 0.25 -1.61 -1.32 0.00 0.00 176.35 173.49 2yye s GLU 334 N 1.29 3.35 -0.25 1.98 2.02 0.53 -0.60 118.70 127.02 2yye s GLU 334 Ca -0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.17 2yye s GLU 334 Cb -0.20 -3.83 0.01 0.00 0.10 0.00 0.00 34.13 30.21 2yye s GLU 334 CO -0.00 -0.52 -0.02 0.08 0.02 0.00 0.00 175.26 174.82 2yye s VAL 335 N 1.70 3.33 -1.02 2.63 1.01 -0.82 0.07 120.40 127.31 2yye s VAL 335 Ca 0.06 -0.78 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2yye s VAL 335 Cb -0.18 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.62 2yye s VAL 335 CO 0.10 0.23 0.76 0.18 0.00 0.00 0.00 175.10 176.37