#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 0.84 3.75 -0.02 0.00 -1.26 -5.13 105.19 103.37 2yye n GLY -5 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2yye n GLY -5 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yye s ILE -4 N -1.55 3.36 -0.15 -0.61 1.01 -1.26 -4.97 121.20 117.03 2yye s ILE -4 Ca 0.00 1.24 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 2yye s ILE -4 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 2yye s ILE -4 CO 0.00 0.24 1.62 -0.70 0.00 0.00 0.00 174.94 176.10 2yye s GLU -3 N -0.83 3.97 0.22 2.79 2.56 -1.26 -4.86 118.70 121.30 2yye s GLU -3 Ca 0.50 1.89 0.25 0.00 0.00 0.00 0.00 54.97 57.60 2yye s GLU -3 Cb -0.34 -4.00 0.91 0.00 2.00 0.00 0.00 34.13 32.69 2yye s GLU -3 CO 0.41 -1.09 1.74 0.41 -0.56 0.00 0.00 175.26 176.17 2yye n GLY -2 N 4.39 -1.46 3.77 -1.50 0.00 -1.26 -4.77 105.19 104.36 2yye n GLY -2 Ca 0.18 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2yye n GLY -2 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yye s ARG -1 N -3.21 4.36 0.88 1.61 6.06 -1.26 -5.03 118.95 122.37 2yye s ARG -1 Ca 0.07 1.57 -0.11 0.00 -2.50 0.00 0.00 55.73 54.77 2yye s ARG -1 Cb 0.11 -2.77 0.12 0.00 0.06 0.00 0.00 34.95 32.47 2yye s ARG -1 CO 0.48 0.02 1.09 -1.58 -2.50 0.00 0.00 175.30 172.82 2yye s HIS 0 N -1.50 2.22 0.00 5.12 5.04 -1.26 -5.04 115.29 119.87 2yye s HIS 0 Ca 0.53 1.41 0.00 0.00 -1.54 0.00 0.00 55.06 55.46 2yye s HIS 0 Cb -0.25 -3.15 0.00 0.00 0.04 0.00 0.00 32.58 29.22 2yye s HIS 0 CO 0.31 -2.40 0.00 -1.33 -2.34 0.00 0.00 174.74 168.98 2yye n MET 1 N -3.91 0.00 -2.22 2.88 2.81 -1.26 -5.11 117.12 110.30 2yye n MET 1 Ca 0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.94 2yye n MET 1 Cb 0.54 -0.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.76 2yye n MET 1 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2yye n VAL 2 N -2.46 -7.33 -3.36 2.03 0.31 -1.26 -4.99 118.33 101.27 2yye n VAL 2 Ca 0.00 0.72 -0.45 0.00 -0.01 0.00 0.00 64.34 64.60 2yye n VAL 2 Cb 0.00 -5.77 -0.05 0.00 -0.91 0.00 0.00 33.84 27.11 2yye n VAL 2 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2yye s GLU 3 N -1.50 2.99 0.29 5.55 8.01 -1.26 -4.93 118.70 127.86 2yye s GLU 3 Ca 0.08 -1.86 0.04 0.00 0.01 0.00 0.00 54.97 53.24 2yye s GLU 3 Cb -0.02 -4.24 0.75 0.00 -4.31 0.00 0.00 34.13 26.30 2yye s GLU 3 CO 0.43 -1.30 1.68 -0.07 0.01 0.00 0.00 175.26 176.02 2yye h LEU 4 N 8.59 0.25 -2.19 1.80 3.38 -1.86 0.24 115.31 125.52 2yye h LEU 4 Ca -0.21 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2yye h LEU 4 Cb 1.08 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2yye h LEU 4 CO 0.95 -0.05 -0.06 -0.07 0.09 0.00 0.00 178.44 179.30 2yye h LEU 5 N 0.34 0.00 -0.33 1.67 4.07 -1.90 -1.81 115.31 117.35 2yye h LEU 5 Ca 0.57 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.53 2yye h LEU 5 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2yye h LEU 5 CO -0.57 0.06 0.00 0.29 -1.08 0.00 0.00 178.44 177.15 2yye n LYS 6 N -3.59 0.24 -0.01 1.13 5.02 0.83 -2.58 118.16 119.19 2yye n LYS 6 Ca -0.02 0.32 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 2yye n LYS 6 Cb 0.18 -1.85 0.47 0.00 -0.02 0.00 0.00 35.03 33.80 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 -2.29 1.65 -4.72 -0.35 4.77 -0.68 -4.85 117.00 110.53 2yye n LEU 7 Ca 0.04 -0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.07 2yye n LEU 7 Cb 0.35 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 2yye n LEU 7 CO 0.26 0.29 0.15 -0.69 -1.33 0.00 0.00 177.39 176.06 2yye s VAL 8 N -1.97 5.20 0.15 4.08 1.01 -1.07 -4.48 120.40 123.33 2yye s VAL 8 Ca 0.37 0.89 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 2yye s VAL 8 Cb 0.20 -3.79 -0.08 0.00 0.00 0.00 0.00 36.38 32.72 2yye s VAL 8 CO 0.32 0.32 0.73 -0.60 0.00 0.00 0.00 175.10 175.87 2yye s ARG 9 N 0.71 4.47 -1.05 2.72 3.00 -1.26 -5.01 118.95 122.52 2yye s ARG 9 Ca 0.24 1.05 -0.14 0.00 -1.00 0.00 0.00 55.73 55.88 2yye s ARG 9 Cb -0.15 -3.23 0.19 0.00 0.00 0.00 0.00 34.95 31.76 2yye s ARG 9 CO 0.09 0.58 1.17 -1.12 0.00 0.00 0.00 175.30 176.02 2yye s SER 10 N -1.17 6.95 0.18 -2.12 0.01 -1.26 -5.01 113.70 111.28 2yye s SER 10 Ca 0.35 -2.80 -0.31 0.00 1.31 0.00 0.00 55.95 54.50 2yye s SER 10 Cb -0.22 -2.33 -0.17 0.00 0.21 0.00 0.00 66.02 63.51 2yye s SER 10 CO 0.24 -0.72 0.81 -0.24 0.41 0.00 0.00 173.24 173.74 2yye n SER 11 N 5.05 -0.12 -1.32 2.44 2.88 -1.26 -4.87 113.62 116.42 2yye n SER 11 Ca 0.27 1.15 0.11 0.00 -1.33 0.00 0.00 58.87 59.06 2yye n SER 11 Cb 0.45 -1.06 0.31 0.00 -0.75 0.00 0.00 64.21 63.16 2yye n SER 11 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yye n GLY 12 N 1.78 2.57 3.55 0.46 0.00 -1.26 -4.91 105.19 107.39 2yye n GLY 12 Ca 0.16 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2yye n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yye s ALA 14 N 0.32 3.33 -0.02 0.00 0.00 -1.26 -4.99 121.76 119.14 2yye s ALA 14 Ca -0.01 0.57 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 2yye s ALA 14 Cb -0.13 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.72 2yye s ALA 14 CO 0.02 0.16 1.99 0.00 0.00 0.00 0.00 175.76 177.93 2yye s ALA 15 N -0.87 3.42 -0.03 0.00 0.00 -1.26 -4.88 121.76 118.14 2yye s ALA 15 Ca 0.42 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.64 2yye s ALA 15 Cb -0.25 -3.88 -0.24 0.00 0.00 0.00 0.00 23.12 18.75 2yye s ALA 15 CO 0.30 -1.80 0.70 0.87 0.00 0.00 0.00 175.76 175.83 2yye h LYS 16 N 11.39 0.07 -5.74 0.00 1.57 -2.00 -3.45 116.57 118.41 2yye h LYS 16 Ca -0.47 -0.12 -0.62 0.00 -1.87 0.00 0.00 60.65 57.57 2yye h LYS 16 Cb 1.23 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 33.47 2yye h LYS 16 CO 0.95 0.72 0.34 0.08 -0.57 0.00 0.00 179.45 180.97 2yye s VAL 17 N -2.61 4.75 0.13 0.50 1.01 -1.26 -5.05 120.40 117.87 2yye s VAL 17 Ca -0.07 0.79 0.02 0.00 0.00 0.00 0.00 61.98 62.71 2yye s VAL 17 Cb 0.08 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.27 2yye s VAL 17 CO 0.82 -0.44 0.14 0.61 0.00 0.00 0.00 175.10 176.22 2yye n GLY 18 N 4.60 2.42 3.52 4.51 0.00 -1.26 -4.98 105.19 114.01 2yye n GLY 18 Ca 0.02 -2.17 -0.47 0.00 0.00 0.00 0.00 46.02 43.40 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 -1.05 1.51 -0.36 1.61 -0.02 -1.26 -1.90 135.00 133.53 2yye n PRO 19 Ca 0.02 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2yye n PRO 19 Cb 0.14 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 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 6.11 1.21 0.19 -1.23 0.00 -1.26 -4.94 105.19 105.26 2yye n GLY 20 Ca 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.24 2yye n GLY 20 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2yye h ASP 21 N 0.00 0.63 -0.80 1.61 3.32 -1.76 -2.62 116.42 116.79 2yye h ASP 21 Ca 0.00 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.60 2yye h ASP 21 Cb 0.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2yye h ASP 21 CO 0.00 0.97 0.53 0.25 -1.72 0.00 0.00 179.24 179.27 2yye h LEU 22 N 0.29 0.88 -0.61 1.55 7.12 -1.93 0.22 115.31 122.83 2yye h LEU 22 Ca 0.04 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.95 2yye h LEU 22 Cb 0.80 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.70 2yye h LEU 22 CO 0.06 0.61 0.06 -0.61 -0.13 0.00 0.00 178.44 178.43 2yye h GLN 23 N 1.02 1.04 -0.34 1.25 -0.00 -1.90 -0.29 115.11 115.89 2yye h GLN 23 Ca 0.31 -0.30 -0.13 0.00 -0.00 0.00 0.00 58.65 58.54 2yye h GLN 23 Cb -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.35 2yye h GLN 23 CO -0.08 0.99 -0.30 1.49 0.00 0.00 0.00 178.83 180.93 2yye h GLU 24 N 0.94 0.72 -0.16 1.69 4.57 -0.86 -3.09 114.58 118.39 2yye h GLU 24 Ca 0.18 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2yye h GLU 24 Cb 0.48 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 2yye h GLU 24 CO 0.02 0.93 0.07 0.82 -1.18 0.00 0.00 179.01 179.67 2yye h ILE 25 N 0.62 1.15 0.00 2.32 2.04 -0.25 -2.48 117.51 120.90 2yye h ILE 25 Ca 0.07 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2yye h ILE 25 Cb 0.81 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2yye h ILE 25 CO 0.07 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.54 2yye n LEU 26 N -4.87 0.00 0.12 1.44 4.77 -0.15 -1.21 117.00 117.10 2yye n LEU 26 Ca -0.04 0.26 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 2yye n LEU 26 Cb 0.11 -0.26 0.28 0.00 -2.33 0.00 0.00 43.42 41.21 2yye n LEU 26 CO 0.35 -0.19 0.70 0.11 -1.33 0.00 0.00 177.39 177.03 2yye h LYS 27 N 0.00 0.00 -1.10 3.23 1.57 -1.37 -3.24 116.57 115.67 2yye h LYS 27 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 2yye h LYS 27 Cb 0.08 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.22 2yye h LYS 27 CO 0.00 0.00 0.37 0.41 -0.57 0.00 0.00 179.45 179.66 2yye n GLY 28 N 1.26 3.53 3.13 3.86 0.00 -0.35 -4.86 105.19 111.76 2yye n GLY 28 Ca 0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.81 0.99 -0.60 1.61 0.08 -1.22 -5.09 117.98 111.94 2yye s PHE 29 Ca 0.31 -0.49 -0.21 0.00 0.12 0.00 0.00 56.93 56.66 2yye s PHE 29 Cb 0.26 -0.57 0.07 0.00 -0.57 0.00 0.00 43.02 42.21 2yye s PHE 29 CO 0.04 -0.00 0.83 1.21 -0.10 0.00 0.00 175.22 177.20 2yye s ASN 30 N -1.72 6.21 -0.22 1.36 2.47 -1.26 -5.01 114.94 116.76 2yye s ASN 30 Ca -0.05 -1.01 -0.09 0.00 0.42 0.00 0.00 52.86 52.14 2yye s ASN 30 Cb -0.10 -2.37 -0.04 0.00 -1.45 0.00 0.00 41.25 37.29 2yye s ASN 30 CO 0.01 -1.22 0.12 -0.63 -3.72 0.00 0.00 177.10 171.66 2yye s ILE 31 N 3.42 5.03 0.01 -5.21 1.01 -1.26 -5.06 121.20 119.13 2yye s ILE 31 Ca 0.19 0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.60 2yye s ILE 31 Cb -0.19 -3.32 -0.06 0.00 0.01 0.00 0.00 42.46 38.90 2yye s ILE 31 CO 0.11 0.38 1.44 -0.47 0.00 0.00 0.00 174.94 176.40 2yye s TYR 32 N 0.92 2.79 0.21 3.97 5.04 -1.26 -4.99 117.35 124.03 2yye s TYR 32 Ca 0.06 0.74 -0.00 0.00 -2.44 0.00 0.00 57.07 55.43 2yye s TYR 32 Cb -0.13 -3.71 -0.04 0.00 0.35 0.00 0.00 41.96 38.43 2yye s TYR 32 CO 0.03 -2.67 0.14 -0.08 -1.34 0.00 0.00 175.55 171.63 2yye s THR 33 N 2.43 0.05 0.30 4.34 -1.32 -1.26 -5.18 115.64 115.00 2yye s THR 33 Ca 0.65 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 59.17 2yye s THR 33 Cb -0.33 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.12 2yye s THR 33 CO 0.27 0.00 0.28 1.51 -2.21 0.00 0.00 174.62 174.47 2yye s ASP 34 N -3.19 1.24 0.60 8.08 1.47 -1.26 -5.05 116.67 118.57 2yye s ASP 34 Ca 0.39 -1.64 0.35 0.00 1.18 0.00 0.00 52.55 52.83 2yye s ASP 34 Cb 0.07 0.53 1.93 0.00 -0.34 0.00 0.00 42.92 45.11 2yye s ASP 34 CO 0.13 -1.05 2.24 1.05 0.68 0.00 0.00 175.17 178.22 2yye h GLU 35 N 2.24 0.00 -0.00 2.11 9.09 -2.03 -2.13 114.58 123.86 2yye h GLU 35 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.13 2yye h GLU 35 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2yye h GLU 35 CO 0.40 0.03 -0.08 0.43 0.05 0.00 0.00 179.01 179.83 2yye n SER 36 N -3.47 0.22 -4.52 3.06 7.64 -1.26 -4.71 113.62 110.57 2yye n SER 36 Ca -0.02 -0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.25 2yye n SER 36 Cb 0.13 -0.20 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 2yye n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2yye s THR 37 N -2.65 4.07 0.01 0.44 2.01 -0.80 -0.67 115.64 118.05 2yye s THR 37 Ca 0.24 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.64 2yye s THR 37 Cb 0.20 -4.89 -0.23 0.00 0.01 0.00 0.00 72.50 67.58 2yye s THR 37 CO 0.50 -1.74 1.11 -0.07 -0.69 0.00 0.00 174.62 173.73 2yye h LEU 38 N 12.19 0.59 -7.51 4.42 4.07 -1.45 -3.45 115.31 124.18 2yye h LEU 38 Ca -0.07 -0.76 -0.38 0.00 0.08 0.00 0.00 57.88 56.75 2yye h LEU 38 Cb 1.04 -0.18 -0.36 0.00 1.08 0.00 0.00 40.66 42.23 2yye h LEU 38 CO 1.28 1.27 -0.75 -0.69 -1.08 0.00 0.00 178.44 178.46 2yye s VAL 39 N -3.22 0.20 0.00 1.22 1.01 -0.95 -4.95 120.40 113.71 2yye s VAL 39 Ca -0.13 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2yye s VAL 39 Cb 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2yye s VAL 39 CO 0.84 0.19 0.00 -0.24 0.00 0.00 0.00 175.10 175.89 2yye n SER 40 N 4.70 1.17 -3.76 3.32 2.88 -1.26 -0.70 113.62 119.98 2yye n SER 40 Ca -0.15 0.00 -0.53 0.00 -1.33 0.00 0.00 58.87 56.85 2yye n SER 40 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.00 0.00 0.00 2.46 2.08 -1.26 -3.96 119.36 118.68 2yye n ILE 41 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2yye n ILE 41 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 38.52 2yye n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2yye n GLY 42 N 3.03 1.37 0.00 7.39 0.00 -1.26 -4.92 105.19 110.80 2yye n GLY 42 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.36 0.22 1.61 -0.08 -1.25 -5.00 116.55 112.40 2yye n ASP 43 Ca 0.00 -0.66 0.10 0.00 -1.51 0.00 0.00 54.79 52.72 2yye n ASP 43 Cb 0.00 0.00 0.45 0.00 2.34 0.00 0.00 41.12 43.91 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 0.00 0.00 -5.07 1.67 5.19 -1.92 -3.45 116.42 112.83 2yye h ASP 44 Ca 0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 2yye h ASP 44 Cb 0.00 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 39.38 2yye h ASP 44 CO 0.00 0.23 -0.04 0.00 -3.12 0.00 0.00 179.24 176.31 2yye s ALA 45 N -3.64 -0.99 0.28 3.45 0.00 -1.26 -4.81 121.76 114.79 2yye s ALA 45 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 51.96 51.78 2yye s ALA 45 Cb 0.10 0.72 -0.09 0.00 0.00 0.00 0.00 23.12 23.86 2yye s ALA 45 CO 0.64 -0.67 0.74 0.20 0.00 0.00 0.00 175.76 176.67 2yye s GLY 46 N -2.80 2.46 -0.15 0.00 0.00 -0.13 -4.85 107.32 101.85 2yye s GLY 46 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.88 2yye s GLY 46 CO -0.11 0.39 -0.20 0.14 0.00 0.00 0.00 173.10 173.31 2yye s VAL 47 N -1.78 1.98 -0.04 1.40 1.01 0.13 -0.98 120.40 122.12 2yye s VAL 47 Ca 0.49 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2yye s VAL 47 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 2yye s VAL 47 CO 0.19 0.53 -0.07 -0.47 0.00 0.00 0.00 175.10 175.29 2yye s TYR 48 N 0.98 0.89 -0.17 5.22 5.04 0.76 -1.22 117.35 128.84 2yye s TYR 48 Ca -0.04 -0.26 -0.12 0.00 -2.44 0.00 0.00 57.07 54.22 2yye s TYR 48 Cb -0.15 -0.71 -0.05 0.00 0.35 0.00 0.00 41.96 41.40 2yye s TYR 48 CO -0.05 -0.18 0.22 -2.00 -1.34 0.00 0.00 175.55 172.20 2yye s GLU 49 N 0.69 4.17 -0.18 4.97 -6.30 0.16 -0.36 118.70 121.85 2yye s GLU 49 Ca -0.10 -0.04 -0.05 0.00 -2.50 0.00 0.00 54.97 52.27 2yye s GLU 49 Cb -0.13 -3.40 0.06 0.00 0.00 0.00 0.00 34.13 30.66 2yye s GLU 49 CO 0.01 0.31 0.08 -1.58 0.02 0.00 0.00 175.26 174.10 2yye s HIS 50 N 0.29 0.34 -1.52 5.30 2.46 -0.17 -4.74 115.29 117.25 2yye s HIS 50 Ca 0.13 -0.43 -0.11 0.00 0.47 0.00 0.00 55.06 55.13 2yye s HIS 50 Cb -0.12 -0.76 0.08 0.00 -0.13 0.00 0.00 32.58 31.65 2yye s HIS 50 CO 0.02 -0.54 0.83 0.09 -2.47 0.00 0.00 174.74 172.67 2yye n ASN 51 N 5.24 -3.40 0.00 9.88 4.13 -1.26 -1.31 115.26 128.55 2yye n ASN 51 Ca -0.07 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.33 2yye n ASN 51 Cb 0.48 -3.60 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 2yye n ASN 51 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yye n GLY 52 N -1.65 2.98 3.71 7.41 0.00 -1.26 -5.02 105.19 111.35 2yye n GLY 52 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 4.90 -0.42 -0.61 -1.09 -0.42 -4.86 121.20 116.69 2yye s ILE 53 Ca 0.00 1.94 -0.15 0.00 -2.23 0.00 0.00 60.65 60.21 2yye s ILE 53 Cb 0.00 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.65 2yye s ILE 53 CO 0.00 0.16 0.32 -0.63 -1.23 0.00 0.00 174.94 173.57 2yye s ILE 54 N 1.05 5.22 0.02 2.92 -1.09 -1.26 -1.00 121.20 127.07 2yye s ILE 54 Ca 0.49 -0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2yye s ILE 54 Cb -0.20 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 2yye s ILE 54 CO 0.25 -0.38 0.25 0.26 -1.23 0.00 0.00 174.94 174.09 2yye s TRP 55 N 1.66 3.55 0.02 3.97 0.52 0.51 -1.18 118.94 128.00 2yye s TRP 55 Ca 0.05 0.48 0.06 0.00 0.02 0.00 0.00 56.10 56.70 2yye s TRP 55 Cb -0.20 -1.92 -0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2yye s TRP 55 CO 0.09 0.60 -0.18 0.14 0.02 0.00 0.00 176.95 177.62 2yye s VAL 56 N -1.36 1.46 -0.03 4.03 -7.23 0.00 -0.17 120.40 117.10 2yye s VAL 56 Ca 0.29 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.49 2yye s VAL 56 Cb -0.13 -1.26 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2yye s VAL 56 CO 0.19 0.23 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.81 2yye s TYR 57 N -0.67 1.00 0.08 2.82 2.02 -0.15 -0.53 117.35 121.91 2yye s TYR 57 Ca 0.06 -0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.41 2yye s TYR 57 Cb -0.08 -0.72 -0.00 0.00 -0.40 0.00 0.00 41.96 40.76 2yye s TYR 57 CO 0.01 -0.12 0.19 -0.08 -1.57 0.00 0.00 175.55 173.98 2yye s THR 58 N 0.27 0.14 -0.06 -0.71 -1.32 -0.75 -0.96 115.64 112.24 2yye s THR 58 Ca -0.04 -1.13 -0.08 0.00 -1.21 0.00 0.00 61.69 59.23 2yye s THR 58 Cb -0.10 -1.25 0.02 0.00 -1.51 0.00 0.00 72.50 69.66 2yye s THR 58 CO 0.01 -0.62 0.21 0.54 -2.21 0.00 0.00 174.62 172.55 2yye s VAL 59 N -3.59 0.02 -0.26 5.08 0.11 -1.26 0.25 120.40 120.75 2yye s VAL 59 Ca 0.03 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.75 2yye s VAL 59 Cb 0.04 -0.36 0.07 0.00 -1.53 0.00 0.00 36.38 34.60 2yye s VAL 59 CO -0.10 -0.09 0.66 -1.81 -3.33 0.00 0.00 175.10 170.43 2yye s ASP 60 N -0.26 -0.84 -0.00 3.54 1.01 -0.86 -5.01 116.67 114.24 2yye s ASP 60 Ca -0.04 1.41 0.02 0.00 0.71 0.00 0.00 52.55 54.66 2yye s ASP 60 Cb -0.03 1.32 -0.01 0.00 1.01 0.00 0.00 42.92 45.22 2yye s ASP 60 CO 0.01 -0.23 -0.07 0.27 0.21 0.00 0.00 175.17 175.35 2yye s ILE 61 N 1.29 0.56 0.16 0.77 -4.36 -1.26 -1.84 121.20 116.50 2yye s ILE 61 Ca -0.07 -0.37 0.03 0.00 -0.26 0.00 0.00 60.65 59.99 2yye s ILE 61 Cb -0.05 -0.48 -0.05 0.00 1.25 0.00 0.00 42.46 43.13 2yye s ILE 61 CO -0.14 0.11 -0.06 0.27 0.24 0.00 0.00 174.94 175.36 2yye s ILE 62 N -0.26 0.99 0.69 8.37 -4.36 -0.39 -4.88 121.20 121.36 2yye s ILE 62 Ca 0.02 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 2yye s ILE 62 Cb -0.03 -1.94 0.04 0.00 1.25 0.00 0.00 42.46 41.78 2yye s ILE 62 CO -0.00 -0.66 1.01 0.42 0.24 0.00 0.00 174.94 175.95 2yye s THR 63 N -3.44 2.73 0.33 8.37 -4.23 -1.26 -1.20 115.64 116.94 2yye s THR 63 Ca 0.19 -0.10 -0.28 0.00 -1.18 0.00 0.00 61.69 60.32 2yye s THR 63 Cb 0.04 -3.17 -0.13 0.00 1.34 0.00 0.00 72.50 70.59 2yye s THR 63 CO 0.01 -0.18 1.25 -2.65 -0.54 0.00 0.00 174.62 172.51 2yye n PRO 64 N -2.88 2.02 0.00 3.99 -0.02 -1.26 -4.91 135.00 131.94 2yye n PRO 64 Ca 0.07 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.28 2yye n PRO 64 Cb 0.59 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.33 0.00 -4.08 -1.45 0.24 -1.26 -4.90 118.33 107.21 2yye n VAL 65 Ca 0.05 -0.46 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 2yye n VAL 65 Cb 0.35 1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 33.70 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 -0.84 0.00 -0.18 3.34 -7.23 -1.26 -4.81 120.40 109.41 2yye s VAL 66 Ca 0.03 -1.63 0.22 0.00 -1.81 0.00 0.00 61.98 58.79 2yye s VAL 66 Cb 0.03 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 2yye s VAL 66 CO 0.09 0.00 0.90 0.59 -0.31 0.00 0.00 175.10 176.37 2yye n ASN 67 N -0.74 0.66 -4.66 4.85 3.02 -1.26 -4.46 115.26 112.67 2yye n ASN 67 Ca 0.00 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.38 2yye n ASN 67 Cb 0.63 0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 40.53 2yye n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yye s ASP 68 N -5.22 6.98 0.22 6.41 -1.08 -1.26 -4.37 116.67 118.35 2yye s ASP 68 Ca -0.02 1.60 -0.09 0.00 -0.52 0.00 0.00 52.55 53.52 2yye s ASP 68 Cb 0.10 -2.54 0.20 0.00 -1.46 0.00 0.00 42.92 39.22 2yye s ASP 68 CO 0.82 -0.74 1.90 -0.65 0.52 0.00 0.00 175.17 177.01 2yye h PRO 69 N 8.02 1.10 -0.46 4.34 0.11 -1.90 -1.07 132.00 142.14 2yye h PRO 69 Ca -0.24 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 2yye h PRO 69 Cb 1.09 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2yye h PRO 69 CO 0.97 0.73 0.16 -0.92 -0.21 0.00 0.00 178.00 178.73 2yye h TYR 70 N 1.14 0.74 -0.50 0.65 5.03 -1.89 -1.49 116.97 120.64 2yye h TYR 70 Ca 0.31 -0.07 -0.11 0.00 2.58 0.00 0.00 58.73 61.45 2yye h TYR 70 Cb -0.12 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 37.93 2yye h TYR 70 CO -0.01 0.65 -0.11 -0.07 -1.32 0.00 0.00 178.16 177.29 2yye h LEU 71 N 0.61 0.93 -0.44 2.82 3.38 -1.82 -2.43 115.31 118.36 2yye h LEU 71 Ca 0.15 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2yye h LEU 71 Cb 0.25 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2yye h LEU 71 CO -0.01 1.05 0.23 -0.25 0.09 0.00 0.00 178.44 179.56 2yye h TRP 72 N 0.83 0.61 -0.74 1.13 7.01 -0.91 0.29 115.95 124.17 2yye h TRP 72 Ca 0.13 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 2yye h TRP 72 Cb 0.65 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.48 2yye h TRP 72 CO 0.04 0.47 0.41 0.78 -2.79 0.00 0.00 178.44 177.35 2yye h GLY 73 N 0.57 1.11 1.39 2.65 0.00 -1.19 -0.14 103.07 107.47 2yye h GLY 73 Ca 0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 2yye h GLY 73 CO -0.02 0.48 -0.45 0.00 0.00 0.00 0.00 176.54 176.55 2yye h ALA 74 N 1.21 0.73 -0.22 3.60 0.00 -1.14 -1.79 119.26 121.65 2yye h ALA 74 Ca 0.26 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2yye h ALA 74 Cb 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2yye h ALA 74 CO -0.04 0.67 -0.25 0.82 0.00 0.00 0.00 179.25 180.45 2yye h ILE 75 N 0.53 1.32 -0.90 0.00 2.04 -0.68 -1.56 117.51 118.26 2yye h ILE 75 Ca 0.03 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.51 2yye h ILE 75 Cb 0.99 1.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.76 2yye h ILE 75 CO 0.09 0.44 0.59 -1.28 0.00 0.00 0.00 178.15 177.99 2yye h SER 76 N 0.24 0.96 -0.26 1.72 0.87 -1.00 0.18 113.55 116.27 2yye h SER 76 Ca 0.03 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2yye h SER 76 Cb 0.81 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2yye h SER 76 CO 0.06 0.66 -0.04 0.74 -0.53 0.00 0.00 176.83 177.72 2yye h THR 77 N 1.12 1.28 -0.60 2.23 2.02 -1.15 -0.79 112.91 117.02 2yye h THR 77 Ca 0.36 -1.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 2yye h THR 77 Cb 0.03 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2yye h THR 77 CO -0.11 0.32 0.15 0.00 0.37 0.00 0.00 175.52 176.25 2yye h ALA 78 N 0.78 1.13 -0.65 6.16 0.00 -0.69 -1.48 119.26 124.51 2yye h ALA 78 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2yye h ALA 78 Cb 0.50 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2yye h ALA 78 CO 0.02 0.59 0.35 -0.97 0.00 0.00 0.00 179.25 179.24 2yye h ASN 79 N 0.89 0.82 -0.34 0.00 -1.24 -0.46 -1.25 115.58 113.99 2yye h ASN 79 Ca 0.19 -0.10 -0.16 0.00 0.71 0.00 0.00 56.30 56.94 2yye h ASN 79 Cb 0.32 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 2yye h ASN 79 CO -0.00 0.68 -0.41 0.00 -1.29 0.00 0.00 177.43 176.41 2yye h ALA 80 N 1.17 0.58 0.00 1.57 0.00 -0.75 -3.02 119.26 118.80 2yye h ALA 80 Ca 0.23 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2yye h ALA 80 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2yye h ALA 80 CO -0.04 0.68 -0.35 -0.07 0.00 0.00 0.00 179.25 179.47 2yye h LEU 81 N 0.73 0.00 -0.93 0.00 3.38 -1.17 -3.25 115.31 114.08 2yye h LEU 81 Ca 0.05 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.26 2yye h LEU 81 Cb 1.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.62 2yye h LEU 81 CO 0.10 0.35 0.43 -1.28 0.09 0.00 0.00 178.44 178.14 2yye h SER 82 N 0.00 0.38 0.50 -0.43 0.87 -1.09 -0.74 113.55 113.04 2yye h SER 82 Ca -0.00 0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2yye h SER 82 Cb 0.70 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2yye h SER 82 CO 0.05 -0.02 -0.25 0.44 -0.53 0.00 0.00 176.83 176.52 2yye h ASP 83 N 0.40 0.00 -0.10 6.23 3.45 -1.72 -0.38 116.42 124.29 2yye h ASP 83 Ca 0.60 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 58.02 2yye h ASP 83 Cb 1.17 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2yye h ASP 83 CO -0.54 0.25 -0.09 0.58 -1.57 0.00 0.00 179.24 177.87 2yye h VAL 84 N 0.00 1.35 -0.96 -1.35 2.07 -1.34 -3.13 116.25 112.88 2yye h VAL 84 Ca -0.00 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.32 2yye h VAL 84 Cb 0.57 1.93 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 2yye h VAL 84 CO 0.03 0.35 0.63 1.88 0.02 0.00 0.00 177.57 180.49 2yye h TYR 85 N -0.15 1.19 0.00 1.57 0.05 -1.24 -0.58 116.97 117.81 2yye h TYR 85 Ca 0.02 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2yye h TYR 85 Cb 0.60 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 37.94 2yye h TYR 85 CO 0.08 0.72 0.00 0.00 -1.05 0.00 0.00 178.16 177.92 2yye n ALA 86 N -2.39 1.30 0.83 3.88 0.00 -0.19 -0.50 120.51 123.45 2yye n ALA 86 Ca 0.12 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.69 2yye n ALA 86 Cb 0.05 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.77 1.48 -0.58 0.00 2.81 -0.64 -4.28 117.12 114.15 2yye n MET 87 Ca 0.01 -0.85 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 2yye n MET 87 Cb 0.09 -1.36 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.27 0.70 3.95 3.03 0.00 0.35 -0.51 105.19 113.98 2yye n GLY 88 Ca 0.08 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.10 1.75 -0.17 -0.02 0.00 -0.32 -4.65 107.32 101.81 2yye s GLY 89 Ca 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 2yye s GLY 89 CO 0.00 -0.82 -0.14 -0.42 0.00 0.00 0.00 173.10 171.72 2yye s ILE 90 N -2.92 2.69 0.27 0.90 1.01 0.28 -4.03 121.20 119.41 2yye s ILE 90 Ca 0.57 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 2yye s ILE 90 Cb -0.10 -2.15 -0.10 0.00 0.01 0.00 0.00 42.46 40.11 2yye s ILE 90 CO 0.41 0.50 1.32 -2.16 0.00 0.00 0.00 174.94 175.01 2yye s PRO 91 N 1.01 4.37 -0.10 2.79 0.04 -1.26 -0.98 135.00 140.88 2yye s PRO 91 Ca -0.01 2.15 -0.08 0.00 0.04 0.00 0.00 61.00 63.10 2yye s PRO 91 Cb -0.15 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.22 2yye s PRO 91 CO -0.03 -0.22 -0.17 0.28 0.04 0.00 0.00 177.00 176.89 2yye n VAL 92 N 1.71 0.98 -4.10 -0.36 0.31 -0.03 -4.63 118.33 112.21 2yye n VAL 92 Ca 0.03 -0.01 -0.11 0.00 -0.01 0.00 0.00 64.34 64.25 2yye n VAL 92 Cb 0.42 -1.79 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 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 -6.11 0.11 0.25 4.52 2.20 -1.04 -1.99 114.94 112.87 2yye s ASN 93 Ca -0.17 -1.19 -0.19 0.00 -0.94 0.00 0.00 52.86 50.37 2yye s ASN 93 Cb 0.05 0.49 0.02 0.00 -2.00 0.00 0.00 41.25 39.82 2yye s ASN 93 CO 0.23 -1.01 0.63 0.00 -2.94 0.00 0.00 177.10 174.01 2yye s ALA 94 N -4.02 -1.04 0.00 3.54 0.00 0.38 -1.53 121.76 119.09 2yye s ALA 94 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.98 2yye s ALA 94 Cb 0.03 0.89 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 2yye s ALA 94 CO 0.11 -0.94 -0.09 -0.51 0.00 0.00 0.00 175.76 174.33 2yye s LEU 95 N -2.91 2.05 -0.16 0.00 1.43 -0.58 0.14 118.68 118.64 2yye s LEU 95 Ca 0.12 -0.21 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2yye s LEU 95 Cb -0.04 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 2yye s LEU 95 CO 0.04 0.08 0.13 0.00 0.23 0.00 0.00 176.35 176.83 2yye s ALA 96 N -0.33 3.75 -0.26 4.21 0.00 -0.11 -1.17 121.76 127.85 2yye s ALA 96 Ca 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 2yye s ALA 96 Cb -0.04 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2yye s ALA 96 CO -0.00 0.40 -0.02 0.42 0.00 0.00 0.00 175.76 176.56 2yye s ILE 97 N -0.35 3.30 -0.15 0.00 1.09 0.60 -1.29 121.20 124.40 2yye s ILE 97 Ca 0.11 -0.81 0.02 0.00 -1.10 0.00 0.00 60.65 58.87 2yye s ILE 97 Cb -0.12 -2.65 0.01 0.00 -1.06 0.00 0.00 42.46 38.65 2yye s ILE 97 CO 0.01 0.21 -0.21 -0.44 -0.10 0.00 0.00 174.94 174.41 2yye s SER 98 N 1.41 3.16 -0.27 3.58 0.01 -0.63 -1.89 113.70 119.07 2yye s SER 98 Ca 0.02 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.69 2yye s SER 98 Cb -0.16 -1.46 0.05 0.00 0.21 0.00 0.00 66.02 64.66 2yye s SER 98 CO -0.02 0.07 -0.07 0.00 0.41 0.00 0.00 173.24 173.63 2yye s PHE 100 N 1.19 -0.02 -0.39 0.00 2.19 -0.53 -0.20 117.98 120.22 2yye s PHE 100 Ca -0.06 -0.16 -0.12 0.00 0.33 0.00 0.00 56.93 56.93 2yye s PHE 100 Cb -0.19 0.03 0.03 0.00 -1.31 0.00 0.00 43.02 41.58 2yye s PHE 100 CO -0.04 -0.47 0.23 1.21 1.83 0.00 0.00 175.22 177.98 2yye s ASN 101 N -2.08 5.80 0.36 6.13 3.84 -0.84 -1.78 114.94 126.37 2yye s ASN 101 Ca -0.05 -1.03 0.20 0.00 0.21 0.00 0.00 52.86 52.19 2yye s ASN 101 Cb -0.01 -2.05 1.10 0.00 -0.55 0.00 0.00 41.25 39.75 2yye s ASN 101 CO -0.04 -0.42 1.58 -1.13 -2.79 0.00 0.00 177.10 174.31 2yye h ASN 102 N 8.48 0.00 0.00 -4.21 -0.00 -1.89 -2.07 115.58 115.89 2yye h ASN 102 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.05 2yye h ASN 102 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.42 2yye h ASN 102 CO 0.69 0.00 -0.72 0.00 -0.00 0.00 0.00 177.43 177.40 2yye n GLU 104 N -1.39 2.92 0.00 0.00 1.02 -0.82 -4.91 120.64 117.44 2yye n GLU 104 Ca 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 57.16 54.68 2yye n GLU 104 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2yye n GLU 104 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2yye n LEU 105 N 1.07 0.00 -3.60 -4.62 4.77 -0.92 -4.98 117.00 108.72 2yye n LEU 105 Ca 0.20 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 2yye n LEU 105 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2yye n LEU 105 CO 0.14 0.00 1.01 1.51 -1.33 0.00 0.00 177.39 178.72 2yye s ASP 106 N 1.86 -0.14 0.39 -1.43 1.47 -1.26 -4.83 116.67 112.73 2yye s ASP 106 Ca 0.00 0.07 0.23 0.00 1.18 0.00 0.00 52.55 54.02 2yye s ASP 106 Cb 0.00 0.14 1.27 0.00 -0.34 0.00 0.00 42.92 43.98 2yye s ASP 106 CO 0.00 -0.20 1.65 -0.29 0.68 0.00 0.00 175.17 177.01 2yye h ILE 107 N 2.09 0.22 -0.73 2.11 6.09 -1.95 -0.50 117.51 124.84 2yye h ILE 107 Ca -0.10 -0.07 0.01 0.00 -1.37 0.00 0.00 64.86 63.33 2yye h ILE 107 Cb 1.17 0.01 -0.04 0.00 0.47 0.00 0.00 36.82 38.43 2yye h ILE 107 CO 0.24 0.04 0.48 -0.33 -3.07 0.00 0.00 178.15 175.51 2yye h GLU 108 N 0.19 0.97 -0.43 2.19 4.39 -1.99 0.26 114.58 120.16 2yye h GLU 108 Ca 0.76 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 60.26 2yye h GLU 108 Cb 2.11 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 2yye h GLU 108 CO -0.50 0.64 -0.31 -0.84 -1.16 0.00 0.00 179.01 176.85 2yye h ILE 109 N 0.99 1.27 -0.79 3.13 -0.00 -1.50 -2.48 117.51 118.13 2yye h ILE 109 Ca 0.27 -1.48 -0.01 0.00 -0.00 0.00 0.00 64.86 63.64 2yye h ILE 109 Cb -0.11 1.26 -0.04 0.00 -0.00 0.00 0.00 36.82 37.93 2yye h ILE 109 CO -0.06 0.50 0.44 0.15 -0.00 0.00 0.00 178.15 179.19 2yye h PHE 110 N 0.81 1.07 -0.22 0.16 3.04 -1.14 -0.99 116.94 119.67 2yye h PHE 110 Ca 0.08 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 2yye h PHE 110 Cb 0.90 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2yye h PHE 110 CO 0.06 0.74 -0.09 0.00 -2.02 0.00 0.00 178.31 176.99 2yye h ARG 111 N 1.10 0.34 -0.33 1.11 3.08 -0.25 -1.93 114.38 117.50 2yye h ARG 111 Ca 0.28 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 60.10 2yye h ARG 111 Cb 0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2yye h ARG 111 CO -0.05 0.45 -0.39 0.93 -1.07 0.00 0.00 179.97 179.84 2yye h GLU 112 N 0.33 0.79 -0.09 0.04 4.39 -0.76 -0.27 114.58 119.00 2yye h GLU 112 Ca 0.07 -0.41 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 2yye h GLU 112 Cb 0.37 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2yye h GLU 112 CO 0.02 1.04 0.04 0.28 -1.16 0.00 0.00 179.01 179.22 2yye h VAL 113 N 0.64 1.15 -0.64 3.13 2.07 -0.97 -1.64 116.25 119.99 2yye h VAL 113 Ca 0.05 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2yye h VAL 113 Cb 0.95 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 2yye h VAL 113 CO 0.09 0.13 0.42 0.40 0.02 0.00 0.00 177.57 178.62 2yye h ILE 114 N -0.01 1.17 -0.93 4.57 1.08 -1.29 -1.49 117.51 120.60 2yye h ILE 114 Ca 0.03 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2yye h ILE 114 Cb 0.18 0.24 -0.05 0.00 -3.07 0.00 0.00 36.82 34.12 2yye h ILE 114 CO -0.00 0.17 0.59 -0.09 -0.69 0.00 0.00 178.15 178.12 2yye h ARG 115 N 0.87 1.24 -0.49 2.37 2.43 -0.84 0.23 114.38 120.19 2yye h ARG 115 Ca 0.23 -0.09 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2yye h ARG 115 Cb -0.08 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.18 2yye h ARG 115 CO -0.05 0.84 0.04 0.78 -1.51 0.00 0.00 179.97 180.07 2yye h GLY 116 N 1.27 0.91 0.97 2.80 0.00 -0.80 -2.04 103.07 106.19 2yye h GLY 116 Ca 0.34 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2yye h GLY 116 CO -0.07 0.59 0.14 0.00 0.00 0.00 0.00 176.54 177.20 2yye h ALA 117 N 0.95 0.29 -0.89 3.60 0.00 -0.71 -2.31 119.26 120.18 2yye h ALA 117 Ca 0.14 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2yye h ALA 117 Cb 0.46 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2yye h ALA 117 CO 0.02 -0.21 0.59 -0.07 0.00 0.00 0.00 179.25 179.57 2yye h LEU 118 N 0.28 1.02 -0.88 0.00 3.38 -0.87 -0.33 115.31 117.91 2yye h LEU 118 Ca 0.08 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2yye h LEU 118 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2yye h LEU 118 CO -0.02 0.74 -0.24 0.44 0.09 0.00 0.00 178.44 179.46 2yye h ASP 119 N 1.21 0.55 0.05 -0.43 3.45 -1.21 -0.40 116.42 119.64 2yye h ASP 119 Ca 0.33 -0.19 -0.20 0.00 0.43 0.00 0.00 57.03 57.40 2yye h ASP 119 Cb -0.14 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.49 2yye h ASP 119 CO -0.07 0.79 -0.74 0.50 -1.57 0.00 0.00 179.24 178.15 2yye h LYS 120 N 0.48 0.60 -0.40 3.56 1.63 -1.01 -2.47 116.57 118.96 2yye h LYS 120 Ca 0.07 -0.48 -0.10 0.00 -0.85 0.00 0.00 60.65 59.29 2yye h LYS 120 Cb 0.68 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.39 2yye h LYS 120 CO 0.05 1.10 -0.15 -0.07 -3.45 0.00 0.00 179.45 176.93 2yye h LEU 121 N 0.41 0.74 -0.34 5.20 3.38 -0.82 -1.36 115.31 122.52 2yye h LEU 121 Ca -0.04 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2yye h LEU 121 Cb 1.34 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2yye h LEU 121 CO 0.14 0.90 0.21 -0.09 0.09 0.00 0.00 178.44 179.68 2yye h ARG 122 N 0.66 0.41 -0.36 1.13 2.43 -0.99 0.24 114.38 117.90 2yye h ARG 122 Ca 0.11 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2yye h ARG 122 Cb 0.63 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2yye h ARG 122 CO 0.04 0.27 0.19 1.49 -1.51 0.00 0.00 179.97 180.46 2yye h GLU 123 N 0.42 0.49 -0.01 0.20 4.81 -1.06 -0.59 114.58 118.85 2yye h GLU 123 Ca 0.13 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2yye h GLU 123 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2yye h GLU 123 CO -0.06 0.37 -0.08 0.00 -0.73 0.00 0.00 179.01 178.51 2yye n ALA 124 N -2.48 2.75 -3.78 2.92 0.00 -0.53 -4.92 120.51 114.46 2yye n ALA 124 Ca 0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 53.44 52.90 2yye n ALA 124 Cb 0.10 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.61 -5.00 -5.16 0.00 5.02 0.63 -4.84 118.16 108.20 2yye n LYS 125 Ca 0.17 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.74 2yye n LYS 125 Cb 0.28 -5.23 -0.17 0.00 -0.02 0.00 0.00 35.03 29.90 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 -3.58 2.20 -0.22 -0.18 2.01 0.03 -4.77 115.64 111.14 2yye s THR 126 Ca 0.21 -0.97 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 2yye s THR 126 Cb -0.10 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 2yye s THR 126 CO 0.82 0.56 0.69 -0.69 -0.69 0.00 0.00 174.62 175.31 2yye s VAL 127 N 0.30 4.96 -0.15 3.82 1.01 -0.84 -4.40 120.40 125.09 2yye s VAL 127 Ca -0.17 1.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 2yye s VAL 127 Cb -0.17 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 2yye s VAL 127 CO 0.08 0.05 1.01 -0.22 0.00 0.00 0.00 175.10 176.02 2yye s LEU 128 N 2.26 4.19 0.00 3.92 2.96 -1.26 -0.47 118.68 130.28 2yye s LEU 128 Ca 0.30 1.46 0.15 0.00 -0.22 0.00 0.00 54.13 55.82 2yye s LEU 128 Cb -0.16 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2yye s LEU 128 CO 0.10 -0.52 0.79 0.18 -1.32 0.00 0.00 176.35 175.57 2yye n LEU 129 N 5.49 1.47 0.00 -0.68 4.77 0.12 -4.91 117.00 123.26 2yye n LEU 129 Ca 0.10 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 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 0.52 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2yye n GLY 130 N 1.10 -0.06 0.00 -0.72 0.00 -1.25 -5.03 105.19 99.22 2yye n GLY 130 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.67 3.26 -0.02 0.00 -1.26 -0.94 105.19 105.56 2yye n GLY 131 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.40 -0.11 1.61 2.46 -0.41 -4.91 115.29 110.52 2yye s HIS 132 Ca 0.00 0.99 0.03 0.00 0.47 0.00 0.00 55.06 56.55 2yye s HIS 132 Cb 0.00 0.14 0.01 0.00 -0.13 0.00 0.00 32.58 32.60 2yye s HIS 132 CO 0.00 -0.20 -0.20 0.99 -2.47 0.00 0.00 174.74 172.87 2yye s THR 133 N 0.18 1.79 0.03 0.89 2.01 -1.26 -1.61 115.64 117.67 2yye s THR 133 Ca -0.00 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.21 2yye s THR 133 Cb -0.03 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2yye s THR 133 CO 0.01 0.50 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.78 2yye s ILE 134 N 0.65 1.14 0.06 1.82 2.07 -0.06 -5.01 121.20 121.87 2yye s ILE 134 Ca -0.13 -0.92 -0.30 0.00 -1.41 0.00 0.00 60.65 57.89 2yye s ILE 134 Cb -0.16 -1.01 -0.05 0.00 0.13 0.00 0.00 42.46 41.36 2yye s ILE 134 CO 0.03 0.09 1.17 -0.62 -1.91 0.00 0.00 174.94 173.70 2yye s ASP 135 N -0.95 7.12 -0.20 4.50 -1.08 -1.26 -1.45 116.67 123.36 2yye s ASP 135 Ca 0.03 1.98 -0.14 0.00 -0.52 0.00 0.00 52.55 53.90 2yye s ASP 135 Cb -0.07 -2.58 0.06 0.00 -1.46 0.00 0.00 42.92 38.87 2yye s ASP 135 CO 0.01 -0.43 0.50 -0.62 0.52 0.00 0.00 175.17 175.15 2yye s ASP 136 N 0.97 -0.60 0.24 -0.34 3.68 -0.73 -4.80 116.67 115.09 2yye s ASP 136 Ca 0.57 1.06 -0.06 0.00 2.13 0.00 0.00 52.55 56.25 2yye s ASP 136 Cb -0.28 1.00 0.23 0.00 -1.45 0.00 0.00 42.92 42.42 2yye s ASP 136 CO 0.29 -0.19 1.82 0.50 0.13 0.00 0.00 175.17 177.72 2yye h LYS 137 N 6.27 1.16 -4.63 4.34 1.63 -1.94 -2.24 116.57 121.17 2yye h LYS 137 Ca -0.31 -0.18 -0.71 0.00 -0.85 0.00 0.00 60.65 58.59 2yye h LYS 137 Cb 1.19 -0.20 -0.20 0.00 -0.60 0.00 0.00 32.23 32.41 2yye h LYS 137 CO 0.22 0.91 -0.05 -1.21 -3.45 0.00 0.00 179.45 175.87 2yye s GLU 138 N -5.61 3.05 0.27 1.90 2.02 -1.26 -4.79 118.70 114.27 2yye s GLU 138 Ca -0.12 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.35 2yye s GLU 138 Cb 0.16 -4.18 -0.14 0.00 0.10 0.00 0.00 34.13 30.07 2yye s GLU 138 CO 0.83 -1.29 1.21 -2.30 0.02 0.00 0.00 175.26 173.73 2yye n PRO 139 N 5.89 1.68 -3.81 0.39 -0.02 -1.26 -4.78 135.00 133.10 2yye n PRO 139 Ca -0.10 0.59 -0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2yye n PRO 139 Cb 0.43 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2yye n PRO 139 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2yye s LYS 140 N -1.13 0.52 -0.17 -0.52 1.02 0.71 -4.24 119.74 115.93 2yye s LYS 140 Ca 0.63 -0.15 -0.20 0.00 0.02 0.00 0.00 55.97 56.26 2yye s LYS 140 Cb -0.68 0.23 0.05 0.00 -0.52 0.00 0.00 37.83 36.91 2yye s LYS 140 CO 0.56 -0.13 0.55 0.12 -0.92 0.00 0.00 175.35 175.54 2yye s PHE 141 N -1.03 -0.58 0.00 3.18 5.36 -0.34 -0.62 117.98 123.95 2yye s PHE 141 Ca -0.11 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.20 2yye s PHE 141 Cb -0.05 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 2yye s PHE 141 CO 0.02 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.85 2yye n GLY 142 N 2.41 0.49 3.13 13.12 0.00 -0.79 -1.26 105.19 122.29 2yye n GLY 142 Ca -0.15 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 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 1.95 -0.06 0.99 1.43 -0.77 -0.29 118.68 121.93 2yye s LEU 143 Ca 0.00 -0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 52.34 2yye s LEU 143 Cb 0.00 0.57 -0.04 0.00 0.03 0.00 0.00 46.19 46.76 2yye s LEU 143 CO 0.00 -0.60 0.03 -0.94 0.23 0.00 0.00 176.35 175.07 2yye s SER 144 N -2.63 5.43 0.03 2.29 1.04 -0.32 -2.03 113.70 117.52 2yye s SER 144 Ca 0.02 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.65 2yye s SER 144 Cb 0.04 -1.55 -0.02 0.00 0.10 0.00 0.00 66.02 64.59 2yye s SER 144 CO -0.08 0.35 -0.11 -0.69 0.98 0.00 0.00 173.24 173.68 2yye s VAL 145 N -0.98 0.88 -0.05 5.02 1.01 0.14 -1.53 120.40 124.89 2yye s VAL 145 Ca 0.16 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2yye s VAL 145 Cb -0.12 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2yye s VAL 145 CO 0.06 -0.04 -0.23 0.00 0.00 0.00 0.00 175.10 174.88 2yye s ALA 146 N -0.81 2.03 0.31 5.51 0.00 -0.58 -1.81 121.76 126.41 2yye s ALA 146 Ca -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.02 2yye s ALA 146 Cb -0.07 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 2yye s ALA 146 CO 0.01 0.40 0.19 0.20 0.00 0.00 0.00 175.76 176.55 2yye s GLY 147 N -0.15 2.14 -0.02 0.00 0.00 0.30 -0.85 107.32 108.75 2yye s GLY 147 Ca -0.03 -1.79 0.04 0.00 0.00 0.00 0.00 44.72 42.95 2yye s GLY 147 CO 0.03 -1.56 -0.14 -0.42 0.00 0.00 0.00 173.10 171.01 2yye s ILE 148 N -3.57 1.10 -0.52 0.90 1.01 -0.15 -0.82 121.20 119.14 2yye s ILE 148 Ca 0.36 -0.58 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2yye s ILE 148 Cb 0.04 -0.93 0.09 0.00 0.01 0.00 0.00 42.46 41.68 2yye s ILE 148 CO 0.20 0.32 0.52 0.00 0.00 0.00 0.00 174.94 175.97 2yye s PRO 150 N 1.97 4.16 -0.53 0.00 0.04 -1.26 -1.95 135.00 137.43 2yye s PRO 150 Ca 0.07 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.60 2yye s PRO 150 Cb -0.25 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2yye s PRO 150 CO 0.06 -0.56 0.00 0.39 0.04 0.00 0.00 177.00 176.93 2yye n GLU 151 N 2.08 -0.85 -1.19 4.56 -0.58 -1.26 -3.54 120.64 119.87 2yye n GLU 151 Ca 0.07 0.55 -0.06 0.00 -0.42 0.00 0.00 57.16 57.29 2yye n GLU 151 Cb 0.38 -4.38 -0.03 0.00 -0.57 0.00 0.00 31.44 26.85 2yye n GLU 151 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2yye n GLY 152 N -1.38 0.81 3.52 0.62 0.00 -0.82 -4.99 105.19 102.95 2yye n GLY 152 Ca -0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.14 3.37 -0.05 1.61 2.20 -1.23 -5.03 119.74 118.47 2yye s LYS 153 Ca 0.00 -0.48 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 2yye s LYS 153 Cb 0.00 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.42 2yye s LYS 153 CO 0.00 -0.72 -0.22 1.52 -0.36 0.00 0.00 175.35 175.56 2yye s TYR 154 N 2.23 2.49 -0.22 4.03 -0.85 -1.26 -4.74 117.35 119.03 2yye s TYR 154 Ca 0.15 -0.53 -0.07 0.00 -0.52 0.00 0.00 57.07 56.09 2yye s TYR 154 Cb -0.16 -1.60 -0.03 0.00 0.38 0.00 0.00 41.96 40.55 2yye s TYR 154 CO 0.13 -0.09 0.06 0.42 -1.52 0.00 0.00 175.55 174.55 2yye s ILE 155 N -0.35 4.39 0.32 -3.49 -1.09 0.33 -5.02 121.20 116.29 2yye s ILE 155 Ca 0.02 -0.16 0.05 0.00 -2.23 0.00 0.00 60.65 58.34 2yye s ILE 155 Cb -0.12 -3.02 0.05 0.00 -1.58 0.00 0.00 42.46 37.79 2yye s ILE 155 CO 0.02 0.38 0.42 0.35 -1.23 0.00 0.00 174.94 174.88 2yye n THR 156 N 4.46 0.00 1.17 2.92 -2.24 -1.26 -4.40 114.28 114.93 2yye n THR 156 Ca -0.16 -1.07 0.12 0.00 -2.27 0.00 0.00 64.05 60.68 2yye n THR 156 Cb 0.52 -0.70 0.28 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.66 0.84 0.01 -0.78 6.02 -1.26 -1.72 117.38 118.84 2yye n GLN 157 Ca 0.08 -0.55 0.11 0.00 -0.01 0.00 0.00 57.00 56.63 2yye n GLN 157 Cb 0.33 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.20 2yye n GLN 157 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2yye n SER 158 N -0.60 0.65 -1.69 1.08 2.88 -1.26 -4.06 113.62 110.62 2yye n SER 158 Ca 0.11 -0.39 0.04 0.00 -1.33 0.00 0.00 58.87 57.30 2yye n SER 158 Cb 0.37 0.56 0.32 0.00 -0.75 0.00 0.00 64.21 64.72 2yye n SER 158 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yye n GLY 159 N 1.46 2.84 3.88 0.46 0.00 -1.25 -4.16 105.19 108.41 2yye n GLY 159 Ca 0.04 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.49 3.24 0.07 4.61 0.00 -1.26 -4.59 121.76 121.35 2yye s ALA 160 Ca 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 2yye s ALA 160 Cb 0.35 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2yye s ALA 160 CO 0.13 -0.45 -0.03 -0.65 0.00 0.00 0.00 175.76 174.76 2yye s GLN 161 N -4.77 0.70 0.56 0.00 -0.21 -1.26 -4.84 119.66 109.84 2yye s GLN 161 Ca 0.52 -1.28 -0.20 0.00 0.02 0.00 0.00 55.36 54.43 2yye s GLN 161 Cb -0.11 0.12 -0.07 0.00 1.00 0.00 0.00 33.01 33.96 2yye s GLN 161 CO 0.46 -0.11 0.88 0.28 -2.12 0.00 0.00 175.29 174.68 2yye n VAL 162 N 0.05 3.11 -0.85 1.09 0.31 -1.26 -3.32 118.33 117.46 2yye n VAL 162 Ca -0.12 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 2yye n VAL 162 Cb 0.61 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 2yye n VAL 162 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2yye n GLY 163 N 1.37 0.62 3.96 2.92 0.00 -1.02 -4.97 105.19 108.07 2yye n GLY 163 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.15 3.45 0.13 1.61 -0.21 -1.21 -4.36 119.66 118.93 2yye s GLN 164 Ca 0.00 -0.63 -0.16 0.00 0.02 0.00 0.00 55.36 54.59 2yye s GLN 164 Cb 0.00 -2.85 -0.07 0.00 1.00 0.00 0.00 33.01 31.09 2yye s GLN 164 CO 0.00 0.39 0.56 -0.51 -2.12 0.00 0.00 175.29 173.60 2yye s LEU 165 N -3.90 4.38 -0.32 2.90 1.43 0.08 -0.82 118.68 122.44 2yye s LEU 165 Ca 0.35 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.47 2yye s LEU 165 Cb -0.10 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2yye s LEU 165 CO 0.30 0.14 0.20 -0.76 0.23 0.00 0.00 176.35 176.47 2yye s LEU 166 N -1.75 4.27 -0.10 1.79 1.43 0.14 -1.82 118.68 122.64 2yye s LEU 166 Ca 0.36 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2yye s LEU 166 Cb -0.16 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 2yye s LEU 166 CO 0.19 -0.17 -0.07 -0.63 0.23 0.00 0.00 176.35 175.89 2yye s ILE 167 N 1.70 3.64 -0.05 -0.59 -1.09 0.71 -0.80 121.20 124.71 2yye s ILE 167 Ca 0.06 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.05 2yye s ILE 167 Cb -0.17 -2.52 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 2yye s ILE 167 CO 0.09 0.56 -0.21 -0.22 -1.23 0.00 0.00 174.94 173.94 2yye s LEU 168 N -0.32 1.98 0.00 2.97 2.96 -0.34 -0.91 118.68 125.03 2yye s LEU 168 Ca 0.04 -0.43 0.18 0.00 -0.22 0.00 0.00 54.13 53.71 2yye s LEU 168 Cb -0.13 -1.15 0.23 0.00 0.50 0.00 0.00 46.19 45.64 2yye s LEU 168 CO 0.02 0.19 1.16 0.35 -1.32 0.00 0.00 176.35 176.75 2yye n THR 169 N 3.11 0.23 -3.80 3.68 -2.24 -0.67 -1.07 114.28 113.54 2yye n THR 169 Ca -0.18 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.86 2yye n THR 169 Cb 0.53 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.85 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 -1.40 0.68 0.80 -0.78 1.02 -1.26 -4.62 119.74 114.18 2yye s LYS 170 Ca 0.25 -0.41 -0.11 0.00 0.02 0.00 0.00 55.97 55.73 2yye s LYS 170 Cb 0.16 0.29 0.07 0.00 -0.52 0.00 0.00 37.83 37.84 2yye s LYS 170 CO 0.24 -0.20 1.09 -2.14 -0.92 0.00 0.00 175.35 173.42 2yye s PRO 171 N -1.95 2.01 0.47 -1.68 0.02 -1.26 -4.56 135.00 128.05 2yye s PRO 171 Ca -0.10 1.10 0.07 0.00 0.02 0.00 0.00 61.00 62.10 2yye s PRO 171 Cb -0.03 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2yye s PRO 171 CO 0.00 -1.80 0.40 0.96 -0.33 0.00 0.00 177.00 176.23 2yye s ILE 172 N -2.91 2.28 0.00 2.83 -4.36 -0.33 -4.76 121.20 113.95 2yye s ILE 172 Ca 0.62 -1.40 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 2yye s ILE 172 Cb -0.17 -2.67 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2yye s ILE 172 CO 0.56 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.35 2yye n GLY 173 N -1.64 0.80 0.37 6.27 0.00 -1.26 -2.97 105.19 106.76 2yye n GLY 173 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 1.16 -0.83 2.61 1.35 -1.88 -2.42 112.91 112.90 2yye h THR 174 Ca 0.00 -0.40 0.09 0.00 -0.55 0.00 0.00 66.41 65.55 2yye h THR 174 Cb 0.00 -0.11 -0.06 0.00 -1.73 0.00 0.00 68.15 66.25 2yye h THR 174 CO 0.00 0.21 0.54 1.23 -0.25 0.00 0.00 175.52 177.26 2yye h GLY 175 N 1.17 1.14 1.05 5.82 0.00 -1.75 0.26 103.07 110.76 2yye h GLY 175 Ca 0.37 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 47.23 2yye h GLY 175 CO -0.11 0.19 -0.34 -2.22 0.00 0.00 0.00 176.54 174.06 2yye h ILE 176 N 0.80 1.29 -0.62 2.60 2.04 -1.70 -1.95 117.51 119.97 2yye h ILE 176 Ca 0.38 -1.52 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 2yye h ILE 176 Cb 0.41 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 2yye h ILE 176 CO -0.15 0.50 0.11 -0.07 0.00 0.00 0.00 178.15 178.54 2yye h LEU 177 N 0.59 0.98 -0.76 1.44 3.38 -1.13 -1.36 115.31 118.45 2yye h LEU 177 Ca 0.05 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2yye h LEU 177 Cb 0.93 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2yye h LEU 177 CO 0.08 0.98 0.32 0.40 0.09 0.00 0.00 178.44 180.32 2yye h ILE 178 N 0.94 1.25 -0.73 1.22 2.04 -0.48 -1.12 117.51 120.63 2yye h ILE 178 Ca 0.19 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2yye h ILE 178 Cb 0.41 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2yye h ILE 178 CO 0.01 0.32 0.38 0.50 0.00 0.00 0.00 178.15 179.36 2yye h LYS 179 N 1.09 1.03 -0.73 2.37 1.63 -1.01 -0.37 116.57 120.58 2yye h LYS 179 Ca 0.26 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 2yye h LYS 179 Cb 0.19 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2yye h LYS 179 CO -0.02 0.79 0.35 0.78 -3.45 0.00 0.00 179.45 177.89 2yye h GLY 180 N 1.01 1.12 0.95 5.01 0.00 -0.75 -0.50 103.07 109.91 2yye h GLY 180 Ca 0.25 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 2yye h GLY 180 CO -0.04 0.51 0.11 1.41 0.00 0.00 0.00 176.54 178.54 2yye h LEU 181 N 1.04 0.67 -1.32 3.11 3.38 -0.66 -0.73 115.31 120.79 2yye h LEU 181 Ca 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2yye h LEU 181 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2yye h LEU 181 CO -0.03 0.72 0.21 0.11 0.09 0.00 0.00 178.44 179.54 2yye h LYS 182 N 0.58 0.68 -0.02 1.13 1.57 -0.46 -2.00 116.57 118.05 2yye h LYS 182 Ca 0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2yye h LYS 182 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2yye h LYS 182 CO 0.00 0.54 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 2yye n GLU 183 N -4.37 1.25 -1.22 3.15 -0.58 -0.25 -4.89 120.64 113.74 2yye n GLU 183 Ca 0.04 -0.37 -0.07 0.00 -0.42 0.00 0.00 57.16 56.33 2yye n GLU 183 Cb 0.14 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.03 0.95 0.10 0.62 0.00 -0.75 -4.90 105.19 102.24 2yye n GLY 184 Ca 0.21 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 1.01 -1.83 -0.61 1.08 -1.37 -3.48 117.51 112.31 2yye h ILE 185 Ca -0.15 -2.73 -0.60 0.00 -0.39 0.00 0.00 64.86 60.99 2yye h ILE 185 Cb 0.52 2.62 -0.12 0.00 -3.07 0.00 0.00 36.82 36.78 2yye h ILE 185 CO 0.22 0.75 -0.61 -0.76 -0.69 0.00 0.00 178.15 177.06 2yye s LEU 186 N -6.72 2.91 0.17 1.44 1.43 -0.92 -4.99 118.68 112.00 2yye s LEU 186 Ca -0.10 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 51.92 2yye s LEU 186 Cb 0.07 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 2yye s LEU 186 CO 0.83 -0.31 -0.12 -0.54 0.23 0.00 0.00 176.35 176.44 2yye s LYS 187 N -3.71 1.15 0.38 1.70 1.02 -1.26 -4.45 119.74 114.57 2yye s LYS 187 Ca 0.35 -1.50 0.14 0.00 0.02 0.00 0.00 55.97 54.98 2yye s LYS 187 Cb 0.03 -0.80 0.98 0.00 -0.52 0.00 0.00 37.83 37.52 2yye s LYS 187 CO 0.19 0.12 1.81 0.93 -0.92 0.00 0.00 175.35 177.47 2yye h GLU 188 N 2.71 0.51 0.00 1.68 5.08 -1.99 -0.26 114.58 122.31 2yye h GLU 188 Ca -0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2yye h GLU 188 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2yye h GLU 188 CO 0.63 0.33 0.00 0.93 -1.00 0.00 0.00 179.01 179.90 2yye h GLU 189 N 0.52 0.00 0.00 2.33 3.07 -2.01 -1.34 114.58 117.15 2yye h GLU 189 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2yye h GLU 189 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2yye h GLU 189 CO -0.27 0.00 -0.26 -0.25 -1.40 0.00 0.00 179.01 176.83 2yye n ASP 190 N -2.94 0.37 -1.92 1.42 8.00 -0.11 -4.21 116.55 117.17 2yye n ASP 190 Ca -0.02 0.21 -0.05 0.00 0.71 0.00 0.00 54.79 55.64 2yye n ASP 190 Cb 0.12 -0.19 0.06 0.00 -0.02 0.00 0.00 41.12 41.10 2yye n ASP 190 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2yye n ILE 191 N -1.68 1.56 -0.33 0.53 -5.35 -0.51 -4.87 119.36 108.71 2yye n ILE 191 Ca 0.06 -2.98 0.06 0.00 -0.27 0.00 0.00 62.75 59.62 2yye n ILE 191 Cb 0.36 0.24 0.22 0.00 -1.74 0.00 0.00 39.64 38.73 2yye n ILE 191 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2yye h ASN 192 N 1.87 0.78 -0.40 7.28 2.35 -1.72 -0.08 115.58 125.65 2yye h ASN 192 Ca 0.02 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2yye h ASN 192 Cb 1.43 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 2yye h ASN 192 CO 0.30 0.40 0.09 -0.08 -1.65 0.00 0.00 177.43 176.49 2yye h GLU 193 N 0.86 0.66 -0.68 0.81 4.81 -1.92 -0.76 114.58 118.34 2yye h GLU 193 Ca 0.47 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 2yye h GLU 193 Cb 0.50 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2yye h GLU 193 CO -0.28 0.69 0.29 0.00 -0.73 0.00 0.00 179.01 178.97 2yye h ALA 194 N 0.94 0.89 -0.46 2.92 0.00 -1.72 -2.07 119.26 119.76 2yye h ALA 194 Ca 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2yye h ALA 194 Cb 0.33 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2yye h ALA 194 CO 0.00 0.49 0.25 0.82 0.00 0.00 0.00 179.25 180.81 2yye h ILE 195 N 0.97 1.17 -0.79 0.00 2.04 -0.83 -0.35 117.51 119.72 2yye h ILE 195 Ca 0.23 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.72 2yye h ILE 195 Cb 0.18 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2yye h ILE 195 CO -0.02 0.18 0.47 -0.33 0.00 0.00 0.00 178.15 178.44 2yye h GLU 196 N 0.61 0.81 -0.27 2.37 4.39 -0.84 -0.56 114.58 121.10 2yye h GLU 196 Ca 0.16 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.67 2yye h GLU 196 Cb 0.06 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2yye h GLU 196 CO -0.03 0.54 -0.41 -0.91 -1.16 0.00 0.00 179.01 177.05 2yye h ASN 197 N 0.84 0.68 0.56 1.42 2.35 -0.94 -1.83 115.58 118.65 2yye h ASN 197 Ca 0.35 -0.30 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2yye h ASN 197 Cb 0.21 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 2yye h ASN 197 CO -0.19 1.00 -0.40 0.24 -1.65 0.00 0.00 177.43 176.43 2yye h MET 198 N 0.52 0.00 0.00 0.81 2.86 -0.45 -2.99 114.93 115.68 2yye h MET 198 Ca 0.04 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.51 2yye h MET 198 Cb 0.93 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 2yye h MET 198 CO 0.08 0.40 -0.83 -0.07 1.06 0.00 0.00 176.91 177.56 2yye h LEU 199 N 0.00 0.00 -9.70 1.22 3.38 -0.89 -3.43 115.31 105.89 2yye h LEU 199 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2yye h LEU 199 Cb 0.79 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.60 2yye h LEU 199 CO 0.05 0.83 0.84 0.00 0.09 0.00 0.00 178.44 180.25 2yye s ALA 200 N -2.86 3.72 0.42 1.53 0.00 -0.71 -4.80 121.76 119.07 2yye s ALA 200 Ca 0.02 1.40 -0.23 0.00 0.00 0.00 0.00 51.96 53.14 2yye s ALA 200 Cb 0.10 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 2yye s ALA 200 CO 0.79 -0.80 1.07 -0.51 0.00 0.00 0.00 175.76 176.31 2yye s LEU 201 N 0.25 4.08 -0.15 0.00 1.43 -1.26 -4.94 118.68 118.10 2yye s LEU 201 Ca 0.65 2.09 0.01 0.00 -1.03 0.00 0.00 54.13 55.85 2yye s LEU 201 Cb -0.44 -4.24 0.22 0.00 0.03 0.00 0.00 46.19 41.76 2yye s LEU 201 CO 0.39 -0.62 1.29 0.59 0.23 0.00 0.00 176.35 178.22 2yye n ASN 202 N -0.27 3.22 -0.05 2.29 3.02 -1.26 -4.38 115.26 117.83 2yye n ASN 202 Ca 0.06 -2.52 -0.14 0.00 -0.03 0.00 0.00 54.58 51.95 2yye n ASN 202 Cb 0.50 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 38.98 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 0.37 0.49 -0.16 6.41 2.03 -1.97 -1.86 116.42 121.74 2yye h ASP 203 Ca 0.20 -0.57 -0.08 0.00 -0.73 0.00 0.00 57.03 55.85 2yye h ASP 203 Cb 1.59 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.93 2yye h ASP 203 CO 0.36 0.98 -0.15 0.11 -1.03 0.00 0.00 179.24 179.50 2yye h LYS 204 N 0.03 0.55 -0.38 4.15 1.57 -1.92 -1.74 116.57 118.83 2yye h LYS 204 Ca -0.00 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 2yye h LYS 204 Cb 0.91 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2yye h LYS 204 CO 0.07 0.69 -0.15 0.00 -0.57 0.00 0.00 179.45 179.48 2yye h ALA 205 N 1.34 1.03 -0.53 3.86 0.00 -1.85 -1.32 119.26 121.80 2yye h ALA 205 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2yye h ALA 205 Cb 0.56 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2yye h ALA 205 CO 0.04 0.58 0.21 -0.09 0.00 0.00 0.00 179.25 179.99 2yye h ARG 206 N 0.62 0.79 -0.65 0.00 2.43 -0.64 0.08 114.38 117.00 2yye h ARG 206 Ca 0.10 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 2yye h ARG 206 Cb 0.61 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2yye h ARG 206 CO 0.04 0.69 0.35 -0.91 -1.51 0.00 0.00 179.97 178.63 2yye h ASN 207 N 0.71 0.83 -0.27 -3.80 2.35 -0.96 0.93 115.58 115.36 2yye h ASN 207 Ca 0.18 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2yye h ASN 207 Cb 0.19 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2yye h ASN 207 CO -0.01 0.69 0.13 0.25 -1.65 0.00 0.00 177.43 176.84 2yye h LEU 208 N 0.89 0.35 -0.27 1.61 5.85 -0.95 0.49 115.31 123.28 2yye h LEU 208 Ca 0.23 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.85 2yye h LEU 208 Cb 0.06 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2yye h LEU 208 CO -0.04 0.37 0.13 -0.03 -0.34 0.00 0.00 178.44 178.53 2yye h MET 209 N 0.30 0.27 -0.25 1.25 4.05 -0.61 -1.92 114.93 118.01 2yye h MET 209 Ca 0.09 -0.02 -0.12 0.00 -0.28 0.00 0.00 59.70 59.38 2yye h MET 209 Cb 0.11 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 2yye h MET 209 CO -0.01 0.18 -0.33 -0.07 0.23 0.00 0.00 176.91 176.91 2yye h LEU 210 N 0.28 0.56 -1.27 3.39 3.38 -0.68 -2.47 115.31 118.50 2yye h LEU 210 Ca 0.11 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2yye h LEU 210 Cb 0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2yye h LEU 210 CO -0.08 0.85 -0.14 -1.28 0.09 0.00 0.00 178.44 177.88 2yye h SER 211 N 0.46 0.31 -0.28 -0.43 0.87 -0.52 -2.01 113.55 111.94 2yye h SER 211 Ca 0.05 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2yye h SER 211 Cb 0.79 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2yye h SER 211 CO 0.06 0.48 0.00 0.18 -0.53 0.00 0.00 176.83 177.03 2yye n LEU 212 N -4.23 2.03 -3.89 2.23 4.77 -0.76 -4.94 117.00 112.21 2yye n LEU 212 Ca -0.00 -0.93 -0.28 0.00 -0.03 0.00 0.00 56.01 54.77 2yye n LEU 212 Cb 0.30 -0.19 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 2yye n LEU 212 CO 0.39 0.46 0.01 0.47 -1.33 0.00 0.00 177.39 177.40 2yye n ASP 213 N 0.58 -3.22 -4.56 -1.43 8.00 -0.76 -4.82 116.55 110.33 2yye n ASP 213 Ca 0.15 -0.83 -0.44 0.00 0.71 0.00 0.00 54.79 54.38 2yye n ASP 213 Cb 0.36 -3.75 -0.01 0.00 -0.02 0.00 0.00 41.12 37.69 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 -4.52 -0.54 0.08 2.24 0.00 -0.95 -4.89 120.51 111.94 2yye n ALA 214 Ca -0.09 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 2yye n ALA 214 Cb 0.58 -1.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.01 2yye n ALA 214 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2yye h THR 215 N 1.77 1.02 -3.34 0.00 1.35 -1.41 -3.47 112.91 108.82 2yye h THR 215 Ca -0.39 -2.54 -0.08 0.00 -0.55 0.00 0.00 66.41 62.85 2yye h THR 215 Cb 1.35 2.46 -0.15 0.00 -1.73 0.00 0.00 68.15 70.08 2yye h THR 215 CO 0.59 0.58 -0.19 0.00 -0.25 0.00 0.00 175.52 176.26 2yye s ALA 216 N -2.86 -0.75 0.02 6.62 0.00 -1.25 -3.87 121.76 119.67 2yye s ALA 216 Ca 0.01 -0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.65 2yye s ALA 216 Cb 0.08 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.73 2yye s ALA 216 CO 0.79 -0.50 0.66 0.00 0.00 0.00 0.00 175.76 176.70 2yye s THR 218 N -2.07 0.00 0.22 0.00 -1.32 -0.65 -4.06 115.64 107.76 2yye s THR 218 Ca -0.07 -0.91 0.12 0.00 -1.21 0.00 0.00 61.69 59.62 2yye s THR 218 Cb -0.00 -2.66 -0.05 0.00 -1.51 0.00 0.00 72.50 68.28 2yye s THR 218 CO 0.02 0.00 -0.22 1.51 -2.21 0.00 0.00 174.62 173.72 2yye s ASP 219 N -3.09 3.50 -0.41 8.08 -4.77 -1.26 -0.18 116.67 118.54 2yye s ASP 219 Ca 0.15 -0.92 -0.19 0.00 -3.30 0.00 0.00 52.55 48.29 2yye s ASP 219 Cb -0.05 -0.27 0.02 0.00 -1.09 0.00 0.00 42.92 41.52 2yye s ASP 219 CO 0.09 0.09 0.56 -0.69 0.70 0.00 0.00 175.17 175.92 2yye s VAL 220 N -1.97 4.95 0.00 2.11 1.01 -0.31 -4.89 120.40 121.30 2yye s VAL 220 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2yye s VAL 220 Cb -0.07 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.22 2yye s VAL 220 CO 0.12 -0.44 0.00 0.35 0.00 0.00 0.00 175.10 175.13 2yye n THR 221 N 5.62 0.00 -0.11 3.92 -2.24 -1.26 -2.78 114.28 117.43 2yye n THR 221 Ca -0.04 0.00 0.26 0.00 -2.27 0.00 0.00 64.05 62.00 2yye n THR 221 Cb 0.48 0.00 0.72 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 -0.73 3.38 0.00 -1.91 -0.06 103.07 103.75 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 -4.11 0.19 -0.09 5.60 3.72 -1.26 -4.38 117.46 117.12 2yye n PHE 223 Ca 0.16 -0.09 0.01 0.00 -0.05 0.00 0.00 57.45 57.47 2yye n PHE 223 Cb 0.88 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.42 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 1.12 -2.01 0.19 1.37 0.00 -0.86 -3.13 105.19 101.86 2yye n GLY 224 Ca 0.16 -1.47 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.09 0.53 -0.70 0.99 5.85 -1.64 -1.34 115.31 118.91 2yye h LEU 225 Ca -0.01 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2yye h LEU 225 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 2yye h LEU 225 CO 0.00 0.42 0.31 -0.07 -0.34 0.00 0.00 178.44 178.77 2yye h LEU 226 N 0.58 0.94 -0.44 2.25 3.38 -1.68 -0.98 115.31 119.36 2yye h LEU 226 Ca 0.16 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2yye h LEU 226 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2yye h LEU 226 CO -0.03 0.83 0.02 1.23 0.09 0.00 0.00 178.44 180.57 2yye h GLY 227 N 0.99 0.83 1.84 0.83 0.00 -1.45 -0.35 103.07 105.76 2yye h GLY 227 Ca 0.24 -0.60 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 2yye h GLY 227 CO -0.03 0.55 -0.76 0.45 0.00 0.00 0.00 176.54 176.76 2yye h HIS 228 N 0.62 0.22 -0.37 5.60 3.86 -1.18 -2.12 115.15 121.78 2yye h HIS 228 Ca 0.13 -0.11 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 2yye h HIS 228 Cb 0.47 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 2yye h HIS 228 CO 0.04 0.86 -0.10 0.00 0.86 0.00 0.00 177.93 179.58 2yye h ALA 229 N 1.11 1.14 -0.17 2.45 0.00 -1.07 -2.62 119.26 120.10 2yye h ALA 229 Ca -0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2yye h ALA 229 Cb 1.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2yye h ALA 229 CO 0.11 0.54 -0.35 2.35 0.00 0.00 0.00 179.25 181.90 2yye h TRP 230 N 0.58 0.42 -0.94 0.00 2.91 -0.74 -2.52 115.95 115.65 2yye h TRP 230 Ca 0.11 -0.10 0.06 0.00 1.13 0.00 0.00 58.89 60.08 2yye h TRP 230 Cb 0.52 -0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.01 2yye h TRP 230 CO 0.02 0.67 0.60 -0.91 -1.03 0.00 0.00 178.44 177.80 2yye h ASN 231 N 0.31 0.97 -0.16 2.65 -0.26 -1.00 0.16 115.58 118.24 2yye h ASN 231 Ca 0.04 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 2yye h ASN 231 Cb 0.77 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 2yye h ASN 231 CO 0.06 0.63 -0.02 0.40 -1.06 0.00 0.00 177.43 177.44 2yye h ILE 232 N 1.11 1.27 0.01 2.81 2.04 -1.47 -2.12 117.51 121.17 2yye h ILE 232 Ca 0.40 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.35 2yye h ILE 232 Cb 0.12 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2yye h ILE 232 CO -0.16 0.28 -0.20 0.00 0.00 0.00 0.00 178.15 178.07 2yye h LYS 234 N -0.32 0.59 0.00 0.00 3.64 -0.75 0.18 116.57 119.90 2yye h LYS 234 Ca 0.05 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2yye h LYS 234 Cb 0.39 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2yye h LYS 234 CO -0.18 0.59 -0.31 -0.91 -2.27 0.00 0.00 179.45 176.37 2yye h ASN 235 N 0.47 0.00 -0.34 4.20 2.35 -1.25 -2.70 115.58 118.32 2yye h ASN 235 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2yye h ASN 235 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2yye h ASN 235 CO -0.01 0.31 0.00 -1.20 -1.65 0.00 0.00 177.43 174.89 2yye n SER 236 N -3.56 3.24 -3.80 5.81 7.64 0.59 -4.60 113.62 118.94 2yye n SER 236 Ca -0.00 -1.97 -0.24 0.00 1.01 0.00 0.00 58.87 57.67 2yye n SER 236 Cb 0.45 -0.21 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 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 1.37 -1.45 -1.59 6.43 4.13 0.40 -4.82 115.26 119.73 2yye n ASN 237 Ca 0.19 -0.87 -0.05 0.00 1.68 0.00 0.00 54.58 55.53 2yye n ASN 237 Cb 0.58 -3.76 -0.02 0.00 -1.54 0.00 0.00 39.78 35.04 2yye n ASN 237 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2yye n ILE 238 N -4.36 0.00 -4.39 2.41 -5.35 0.16 -4.91 119.36 102.93 2yye n ILE 238 Ca -0.25 -0.63 -0.18 0.00 -0.27 0.00 0.00 62.75 61.42 2yye n ILE 238 Cb 0.66 0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.83 2yye n ILE 238 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2yye n GLY 239 N -0.17 3.62 3.17 3.28 0.00 -0.05 -4.29 105.19 110.74 2yye n GLY 239 Ca 0.02 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2yye n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yye s ALA 240 N -2.68 -0.54 -0.22 4.61 0.00 -0.58 -1.13 121.76 121.22 2yye s ALA 240 Ca 0.09 0.11 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2yye s ALA 240 Cb 0.00 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.20 2yye s ALA 240 CO 0.06 -0.23 -0.09 0.50 0.00 0.00 0.00 175.76 176.01 2yye s ARG 241 N -1.28 3.13 -0.14 0.00 3.52 0.15 -0.53 118.95 123.82 2yye s ARG 241 Ca -0.13 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2yye s ARG 241 Cb -0.06 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2yye s ARG 241 CO 0.03 -0.25 -0.18 0.42 -0.81 0.00 0.00 175.30 174.51 2yye s ILE 242 N 1.39 2.51 -0.48 4.11 1.01 0.10 -1.77 121.20 128.07 2yye s ILE 242 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 2yye s ILE 242 Cb -0.15 -2.03 0.05 0.00 0.01 0.00 0.00 42.46 40.34 2yye s ILE 242 CO -0.06 0.53 0.55 -0.36 0.00 0.00 0.00 174.94 175.60 2yye s PHE 243 N 0.65 3.10 0.29 3.97 0.40 -0.61 -0.25 117.98 125.53 2yye s PHE 243 Ca -0.09 -0.55 0.04 0.00 -0.60 0.00 0.00 56.93 55.72 2yye s PHE 243 Cb -0.16 -3.35 0.69 0.00 0.51 0.00 0.00 43.02 40.71 2yye s PHE 243 CO 0.02 -0.93 1.74 0.35 0.70 0.00 0.00 175.22 177.11 2yye h PHE 244 N 8.90 0.83 -0.00 0.36 3.04 0.25 0.99 116.94 131.31 2yye h PHE 244 Ca -0.27 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.71 2yye h PHE 244 Cb 1.10 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 39.38 2yye h PHE 244 CO 0.71 0.10 0.02 0.93 -2.02 0.00 0.00 178.31 178.05 2yye h GLU 245 N 0.57 0.00 -0.01 1.11 4.39 -1.93 -1.24 114.58 117.48 2yye h GLU 245 Ca 0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.25 2yye h GLU 245 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2yye h GLU 245 CO -0.44 0.00 -0.66 1.63 -1.16 0.00 0.00 179.01 178.38 2yye n LYS 246 N -3.13 0.58 -2.68 2.33 5.02 0.33 -4.95 118.16 115.66 2yye n LYS 246 Ca -0.03 -0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 55.38 2yye n LYS 246 Cb 0.09 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.74 4.77 0.08 -0.18 1.01 -0.47 -4.65 120.40 118.23 2yye s VAL 247 Ca 0.14 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 2yye s VAL 247 Cb 0.17 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2yye s VAL 247 CO 0.70 0.02 0.99 -2.16 0.00 0.00 0.00 175.10 174.65 2yye s PRO 248 N 1.90 4.64 0.10 2.72 0.04 -1.26 -5.02 135.00 138.11 2yye s PRO 248 Ca 0.49 1.48 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 2yye s PRO 248 Cb -0.19 -3.39 0.07 0.00 0.04 0.00 0.00 34.50 31.03 2yye s PRO 248 CO 0.19 0.10 0.63 1.52 0.04 0.00 0.00 177.00 179.49 2yye s TYR 249 N 0.33 -0.56 0.15 0.56 1.13 -1.26 -1.19 117.35 116.52 2yye s TYR 249 Ca 0.49 0.52 -0.30 0.00 -1.41 0.00 0.00 57.07 56.38 2yye s TYR 249 Cb -0.23 0.52 -0.07 0.00 -1.10 0.00 0.00 41.96 41.08 2yye s TYR 249 CO 0.30 -0.78 1.16 0.71 -2.51 0.00 0.00 175.55 174.43 2yye s TYR 250 N -3.08 3.49 0.31 -3.49 1.51 -1.16 -4.92 117.35 110.01 2yye s TYR 250 Ca -0.02 1.45 0.03 0.00 -1.01 0.00 0.00 57.07 57.52 2yye s TYR 250 Cb -0.01 -3.37 0.59 0.00 -0.11 0.00 0.00 41.96 39.06 2yye s TYR 250 CO -0.07 -1.01 1.88 0.37 -1.11 0.00 0.00 175.55 175.61 2yye h GLN 251 N 5.59 0.92 0.00 -0.62 5.75 -2.01 0.61 115.11 125.36 2yye h GLN 251 Ca -0.44 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 57.98 2yye h GLN 251 Cb 1.21 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.55 2yye h GLN 251 CO 0.75 0.61 -0.14 1.25 -2.65 0.00 0.00 178.83 178.66 2yye h LEU 252 N 0.95 0.00 -0.58 -2.39 5.85 -1.97 -2.28 115.31 114.89 2yye h LEU 252 Ca 0.44 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.04 2yye h LEU 252 Cb 0.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2yye h LEU 252 CO -0.20 0.14 -0.16 0.28 -0.34 0.00 0.00 178.44 178.16 2yye h SER 253 N 0.00 0.98 -0.24 1.25 0.02 -1.18 -1.66 113.55 112.72 2yye h SER 253 Ca -0.00 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2yye h SER 253 Cb 0.25 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2yye h SER 253 CO 0.02 1.12 0.06 -0.08 -1.14 0.00 0.00 176.83 176.81 2yye h GLU 254 N 0.85 0.38 -0.73 3.45 4.81 -1.31 -2.04 114.58 120.00 2yye h GLU 254 Ca 0.12 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2yye h GLU 254 Cb 0.72 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2yye h GLU 254 CO 0.05 0.48 0.43 -0.91 -0.73 0.00 0.00 179.01 178.33 2yye h ASN 255 N 0.21 0.89 -0.18 1.04 2.35 -1.27 -2.59 115.58 116.03 2yye h ASN 255 Ca 0.08 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 2yye h ASN 255 Cb 0.27 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 2yye h ASN 255 CO 0.00 0.70 0.03 -0.07 -1.65 0.00 0.00 177.43 176.45 2yye h LEU 256 N 1.00 0.28 -1.13 1.61 3.38 -1.28 -3.14 115.31 116.02 2yye h LEU 256 Ca 0.26 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2yye h LEU 256 Cb -0.01 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2yye h LEU 256 CO -0.05 0.46 0.49 -0.37 0.09 0.00 0.00 178.44 179.06 2yye h VAL 257 N 0.09 1.22 0.00 1.22 -1.51 -1.20 0.11 116.25 116.18 2yye h VAL 257 Ca 0.05 -0.47 -0.01 0.00 -1.23 0.00 0.00 66.70 65.04 2yye h VAL 257 Cb 0.29 0.08 -0.00 0.00 -2.13 0.00 0.00 31.29 29.54 2yye h VAL 257 CO 0.00 0.23 -0.04 0.11 -1.23 0.00 0.00 177.57 176.64 2yye h LYS 258 N 1.10 0.00 -0.54 5.19 1.57 -1.46 0.16 116.57 122.59 2yye h LYS 258 Ca 0.29 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2yye h LYS 258 Cb -0.06 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2yye h LYS 258 CO -0.06 0.04 0.05 1.63 -0.57 0.00 0.00 179.45 180.55 2yye n LYS 259 N -3.65 4.25 -2.32 3.15 4.76 -0.27 -4.93 118.16 119.15 2yye n LYS 259 Ca -0.02 -3.10 -0.17 0.00 -2.87 0.00 0.00 58.31 52.15 2yye n LYS 259 Cb 0.14 -2.17 -0.01 0.00 -1.84 0.00 0.00 35.03 31.15 2yye n LYS 259 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2yye n LYS 260 N 0.22 -1.35 -3.48 1.97 5.02 0.57 -4.97 118.16 116.14 2yye n LYS 260 Ca 0.29 0.82 -0.43 0.00 -2.02 0.00 0.00 58.31 56.98 2yye n LYS 260 Cb 1.18 -5.26 -0.07 0.00 -0.02 0.00 0.00 35.03 30.86 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 -2.84 4.64 -0.02 -0.18 -1.09 -0.13 -4.99 121.20 116.59 2yye s ILE 261 Ca 0.00 -2.05 -0.29 0.00 -2.23 0.00 0.00 60.65 56.09 2yye s ILE 261 Cb 0.00 -3.99 0.08 0.00 -1.58 0.00 0.00 42.46 36.98 2yye s ILE 261 CO 0.00 -0.86 0.74 -0.72 -1.23 0.00 0.00 174.94 172.87 2yye s TYR 262 N 0.95 -0.55 0.47 3.97 -0.85 -1.26 -3.68 117.35 116.40 2yye s TYR 262 Ca 0.09 0.75 -0.22 0.00 -0.52 0.00 0.00 57.07 57.18 2yye s TYR 262 Cb -0.23 0.47 -0.07 0.00 0.38 0.00 0.00 41.96 42.51 2yye s TYR 262 CO -0.02 -0.61 1.14 -1.25 -1.52 0.00 0.00 175.55 173.29 2yye s PRO 263 N -1.98 3.73 0.54 -3.49 0.04 -1.26 -4.92 135.00 127.66 2yye s PRO 263 Ca -0.05 1.70 0.22 0.00 0.04 0.00 0.00 61.00 62.91 2yye s PRO 263 Cb -0.00 -2.34 1.40 0.00 0.04 0.00 0.00 34.50 33.60 2yye s PRO 263 CO 0.01 -0.55 2.09 1.57 0.04 0.00 0.00 177.00 180.16 2yye h LYS 264 N 1.93 0.00 -0.50 4.56 2.10 -1.99 -1.13 116.57 121.53 2yye h LYS 264 Ca -0.49 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.30 2yye h LYS 264 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 2yye h LYS 264 CO 0.60 0.00 0.41 0.78 -2.00 0.00 0.00 179.45 179.24 2yye h GLY 265 N 0.00 0.00 1.03 0.07 0.00 -1.97 -0.67 103.07 101.52 2yye h GLY 265 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2yye h GLY 265 CO -0.00 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.56 2yye h ALA 266 N 1.65 0.73 -0.49 3.60 0.00 -1.43 0.08 119.26 123.40 2yye h ALA 266 Ca 0.24 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 2yye h ALA 266 Cb 1.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2yye h ALA 266 CO -0.00 0.53 -0.14 0.82 0.00 0.00 0.00 179.25 180.46 2yye h ILE 267 N 0.82 1.27 -0.68 0.00 1.08 -1.29 -1.28 117.51 117.43 2yye h ILE 267 Ca 0.16 -1.29 -0.06 0.00 -0.39 0.00 0.00 64.86 63.28 2yye h ILE 267 Cb 0.51 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 2yye h ILE 267 CO 0.02 0.45 0.19 -0.33 -0.69 0.00 0.00 178.15 177.79 2yye h GLU 268 N 0.81 1.07 -0.38 2.37 5.08 -1.18 0.56 114.58 122.91 2yye h GLU 268 Ca 0.12 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 58.11 2yye h GLU 268 Cb 0.70 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2yye h GLU 268 CO 0.05 0.93 -0.30 -0.91 -1.00 0.00 0.00 179.01 177.78 2yye h ASN 269 N 1.02 0.87 -0.48 1.42 2.35 -0.86 -1.60 115.58 118.30 2yye h ASN 269 Ca 0.22 -0.35 -0.05 0.00 -0.55 0.00 0.00 56.30 55.56 2yye h ASN 269 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2yye h ASN 269 CO -0.00 1.10 0.09 0.25 -1.65 0.00 0.00 177.43 177.22 2yye h LEU 270 N 0.71 0.76 -1.09 1.61 6.46 -0.90 -2.80 115.31 120.05 2yye h LEU 270 Ca 0.08 -0.25 -0.04 0.00 -0.12 0.00 0.00 57.88 57.55 2yye h LEU 270 Cb 0.85 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 2yye h LEU 270 CO 0.07 0.82 0.22 -1.13 -0.62 0.00 0.00 178.44 177.80 2yye h ASN 271 N 0.67 0.80 -0.70 1.25 -0.73 -0.65 -2.70 115.58 113.52 2yye h ASN 271 Ca 0.15 -0.11 0.05 0.00 1.87 0.00 0.00 56.30 58.26 2yye h ASN 271 Cb 0.37 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2yye h ASN 271 CO 0.01 0.73 0.46 -0.26 -0.37 0.00 0.00 177.43 178.00 2yye h PHE 272 N 0.86 0.77 -0.71 0.67 0.05 -1.02 -2.51 116.94 115.05 2yye h PHE 272 Ca 0.20 0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.01 2yye h PHE 272 Cb 0.19 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.88 2yye h PHE 272 CO 0.01 0.43 0.00 1.33 -0.18 0.00 0.00 178.31 179.90 2yye n VAL 273 N -4.47 1.03 -0.19 -0.55 0.24 -1.04 -4.62 118.33 108.73 2yye n VAL 273 Ca 0.10 -0.97 0.10 0.00 -2.04 0.00 0.00 64.34 61.52 2yye n VAL 273 Cb 0.18 0.45 0.41 0.00 -1.47 0.00 0.00 33.84 33.41 2yye n VAL 273 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2yye h LYS 274 N 4.17 0.61 0.00 7.34 2.10 -1.16 -1.68 116.57 127.94 2yye h LYS 274 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 2yye h LYS 274 Cb 1.00 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2yye h LYS 274 CO 0.02 0.40 0.00 0.09 -2.00 0.00 0.00 179.45 177.96 2yye n ASN 275 N -4.50 0.00 0.00 7.07 3.02 -1.26 -3.43 115.26 116.16 2yye n ASN 275 Ca 0.13 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2yye n ASN 275 Cb 0.37 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 -1.28 0.00 -2.88 3.10 4.01 -0.75 -5.03 117.16 114.33 2yye n TYR 276 Ca 0.14 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.47 2yye n TYR 276 Cb 0.24 0.00 -0.04 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 -0.44 4.27 -0.27 7.72 2.96 -0.71 0.81 118.68 133.02 2yye s LEU 277 Ca 0.00 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 2yye s LEU 277 Cb 0.00 -3.29 0.07 0.00 0.50 0.00 0.00 46.19 43.47 2yye s LEU 277 CO 0.00 -0.28 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.18 2yye s LYS 278 N 1.46 1.63 -0.10 1.98 3.01 0.17 -4.95 119.74 122.95 2yye s LYS 278 Ca 0.42 -1.28 -0.30 0.00 -1.01 0.00 0.00 55.97 53.80 2yye s LYS 278 Cb -0.18 -2.73 0.11 0.00 -1.01 0.00 0.00 37.83 34.02 2yye s LYS 278 CO 0.18 -0.71 0.92 0.45 0.51 0.00 0.00 175.35 176.70 2yye s SER 279 N 1.24 -0.41 -0.06 2.83 0.15 -1.26 -1.48 113.70 114.71 2yye s SER 279 Ca -0.01 0.32 0.09 0.00 0.70 0.00 0.00 55.95 57.05 2yye s SER 279 Cb -0.19 0.36 0.14 0.00 -1.71 0.00 0.00 66.02 64.62 2yye s SER 279 CO -0.08 -0.47 1.03 -0.46 1.20 0.00 0.00 173.24 174.46 2yye n ASN 280 N 0.44 1.43 -4.75 5.45 0.23 -1.26 -5.06 115.26 111.74 2yye n ASN 280 Ca -0.11 -2.45 -0.33 0.00 -0.53 0.00 0.00 54.58 51.16 2yye n ASN 280 Cb 0.59 -0.27 0.08 0.00 -2.08 0.00 0.00 39.78 38.10 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 -1.55 3.23 0.45 -4.53 1.43 -1.26 -4.96 118.68 111.49 2yye s LEU 281 Ca 0.16 2.04 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 2yye s LEU 281 Cb 0.14 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.72 2yye s LEU 281 CO 0.01 -2.00 1.35 0.47 0.23 0.00 0.00 176.35 176.42 2yye n ASP 282 N -2.93 2.91 0.29 2.29 8.00 -1.26 -4.87 116.55 120.96 2yye n ASP 282 Ca 0.11 1.09 0.15 0.00 0.71 0.00 0.00 54.79 56.85 2yye n ASP 282 Cb 0.52 -1.56 0.86 0.00 -0.02 0.00 0.00 41.12 40.92 2yye n ASP 282 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2yye h ASN 283 N 2.09 0.00 0.16 -2.24 2.35 -2.00 -1.96 115.58 113.97 2yye h ASN 283 Ca -0.50 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.22 2yye h ASN 283 Cb 1.28 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.65 2yye h ASN 283 CO 0.60 0.06 -0.15 4.11 -1.65 0.00 0.00 177.43 180.40 2yye h TRP 284 N 0.00 0.00 -0.29 1.19 5.08 -1.95 -1.14 115.95 118.84 2yye h TRP 284 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 2yye h TRP 284 Cb 0.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.34 2yye h TRP 284 CO 0.00 0.15 -0.12 0.87 -1.28 0.00 0.00 178.44 178.06 2yye h LYS 285 N 0.00 0.60 -0.25 0.12 1.57 -1.71 -1.56 116.57 115.33 2yye h LYS 285 Ca -0.00 -0.25 -0.11 0.00 -1.87 0.00 0.00 60.65 58.42 2yye h LYS 285 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2yye h LYS 285 CO 0.02 0.82 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.34 2yye h LEU 286 N 0.35 0.53 -0.25 2.94 3.38 -1.46 -1.55 115.31 119.25 2yye h LEU 286 Ca 0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2yye h LEU 286 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2yye h LEU 286 CO 0.04 0.81 0.03 0.40 0.09 0.00 0.00 178.44 179.81 2yye h ILE 287 N 0.45 1.24 -0.56 1.22 2.04 -1.16 -2.10 117.51 118.63 2yye h ILE 287 Ca 0.06 -0.82 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 2yye h ILE 287 Cb 0.76 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2yye h ILE 287 CO 0.06 0.26 0.34 0.25 0.00 0.00 0.00 178.15 179.06 2yye h LEU 288 N 0.22 0.68 -0.53 1.44 6.46 -1.14 -0.97 115.31 121.47 2yye h LEU 288 Ca 0.07 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2yye h LEU 288 Cb 0.36 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2yye h LEU 288 CO 0.01 0.54 0.00 0.18 -0.62 0.00 0.00 178.44 178.55 2yye n LEU 289 N -4.64 0.48 -0.13 2.25 4.77 -0.60 -2.64 117.00 116.48 2yye n LEU 289 Ca 0.03 0.62 0.08 0.00 -0.03 0.00 0.00 56.01 56.71 2yye n LEU 289 Cb 0.06 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 2yye n LEU 289 CO 0.36 -0.50 0.07 -1.20 -1.33 0.00 0.00 177.39 174.79 2yye n SER 290 N -2.03 1.06 -4.70 -1.43 7.64 -0.72 -2.16 113.62 111.28 2yye n SER 290 Ca 0.02 -1.03 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 2yye n SER 290 Cb 0.20 0.81 -0.03 0.00 -1.01 0.00 0.00 64.21 64.18 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 -0.93 3.79 -4.73 6.43 4.64 -0.45 -4.10 116.55 121.21 2yye n ASP 291 Ca 0.04 1.06 -0.42 0.00 -1.38 0.00 0.00 54.79 54.09 2yye n ASP 291 Cb 0.28 -1.53 -0.02 0.00 -1.04 0.00 0.00 41.12 38.81 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 4.08 2.58 -4.26 -0.67 -0.04 -1.26 -4.04 135.00 131.39 2yye n PRO 292 Ca 0.17 0.92 -0.31 0.00 -0.04 0.00 0.00 63.50 64.23 2yye n PRO 292 Cb 0.34 -2.68 -0.09 0.00 -0.04 0.00 0.00 33.50 31.03 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 -0.02 3.95 -0.13 0.52 1.01 -0.09 -2.14 120.40 123.50 2yye s VAL 293 Ca 0.65 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.79 2yye s VAL 293 Cb -0.52 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2yye s VAL 293 CO 0.49 0.27 -0.10 -0.89 0.00 0.00 0.00 175.10 174.87 2yye s THR 294 N -1.16 3.35 -1.33 3.92 2.01 -1.26 -3.19 115.64 117.98 2yye s THR 294 Ca 0.21 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.52 2yye s THR 294 Cb -0.11 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.98 2yye s THR 294 CO 0.13 0.52 0.48 -0.24 -0.69 0.00 0.00 174.62 174.82 2yye n SER 295 N 3.40 -2.15 -3.21 3.53 2.88 -1.26 -4.77 113.62 112.04 2yye n SER 295 Ca -0.18 -1.14 -0.19 0.00 -1.33 0.00 0.00 58.87 56.03 2yye n SER 295 Cb 0.53 -2.48 0.13 0.00 -0.75 0.00 0.00 64.21 61.64 2yye n SER 295 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yye n GLY 296 N -2.07 -1.50 3.45 0.46 0.00 -1.12 -4.47 105.19 99.93 2yye n GLY 296 Ca -0.22 -1.67 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 2yye n GLY 296 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yye n GLY 297 N -0.73 -0.12 3.84 -0.02 0.00 -1.26 -4.61 105.19 102.29 2yye n GLY 297 Ca 0.11 -1.91 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 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 3.96 -0.19 0.99 1.43 -1.26 -1.16 118.68 122.45 2yye s LEU 298 Ca 0.62 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 2yye s LEU 298 Cb -0.03 -4.25 0.05 0.00 0.03 0.00 0.00 46.19 41.99 2yye s LEU 298 CO 0.42 -0.31 -0.04 -0.22 0.23 0.00 0.00 176.35 176.43 2yye s LEU 299 N -3.25 1.76 0.09 1.79 2.96 0.75 -1.67 118.68 121.11 2yye s LEU 299 Ca 0.57 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2yye s LEU 299 Cb -0.10 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 2yye s LEU 299 CO 0.19 -0.22 0.06 0.72 -1.32 0.00 0.00 176.35 175.78 2yye s PHE 300 N 1.62 0.56 -0.08 5.38 -0.12 -0.08 -1.64 117.98 123.62 2yye s PHE 300 Ca -0.01 -1.02 -0.01 0.00 -0.05 0.00 0.00 56.93 55.84 2yye s PHE 300 Cb -0.16 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 2yye s PHE 300 CO -0.07 -0.48 -0.04 0.95 -0.05 0.00 0.00 175.22 175.53 2yye s THR 301 N -3.96 3.97 0.03 -4.49 -4.23 -0.79 -0.21 115.64 105.97 2yye s THR 301 Ca 0.13 -0.37 0.01 0.00 -1.18 0.00 0.00 61.69 60.28 2yye s THR 301 Cb 0.07 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 2yye s THR 301 CO -0.06 0.60 -0.05 0.27 -0.54 0.00 0.00 174.62 174.84 2yye s ILE 302 N -0.78 0.32 0.47 2.99 -4.36 -0.76 -1.07 121.20 118.02 2yye s ILE 302 Ca 0.12 -0.96 -0.23 0.00 -0.26 0.00 0.00 60.65 59.31 2yye s ILE 302 Cb -0.11 -0.43 -0.07 0.00 1.25 0.00 0.00 42.46 43.10 2yye s ILE 302 CO 0.02 -0.42 1.25 0.20 0.24 0.00 0.00 174.94 176.22 2yye s ASN 303 N -1.47 5.94 0.52 4.36 0.01 -1.26 -0.74 114.94 122.30 2yye s ASN 303 Ca -0.12 2.51 0.34 0.00 -0.71 0.00 0.00 52.86 54.87 2yye s ASN 303 Cb -0.10 -2.62 1.49 0.00 0.41 0.00 0.00 41.25 40.43 2yye s ASN 303 CO -0.00 -1.09 1.78 0.11 -1.51 0.00 0.00 177.10 176.39 2yye h LYS 304 N 2.01 0.06 0.00 -0.60 1.57 -1.94 -1.29 116.57 116.38 2yye h LYS 304 Ca -0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2yye h LYS 304 Cb 1.26 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2yye h LYS 304 CO 0.60 0.04 0.00 -1.91 -0.57 0.00 0.00 179.45 177.61 2yye n GLU 305 N -4.26 0.27 0.15 3.15 2.13 -1.26 -3.00 120.64 117.82 2yye n GLU 305 Ca 0.27 0.07 0.13 0.00 0.66 0.00 0.00 57.16 58.28 2yye n GLU 305 Cb 1.23 -1.50 0.45 0.00 0.27 0.00 0.00 31.44 31.88 2yye n GLU 305 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2yye h LYS 306 N 0.00 0.00 -1.00 5.31 1.79 -1.59 -3.23 116.57 117.84 2yye h LYS 306 Ca 0.00 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 58.70 2yye h LYS 306 Cb 0.27 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 30.82 2yye h LYS 306 CO 0.00 0.00 0.63 -0.07 -1.08 0.00 0.00 179.45 178.93 2yye h LEU 307 N 0.00 0.59 -1.96 2.94 3.38 -1.74 0.92 115.31 119.43 2yye h LEU 307 Ca 0.00 0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.21 2yye h LEU 307 Cb 0.61 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2yye h LEU 307 CO 0.00 0.16 0.48 -0.33 0.09 0.00 0.00 178.44 178.85 2yye h GLU 308 N 0.55 0.00 0.00 1.13 4.39 -1.83 -2.59 114.58 116.22 2yye h GLU 308 Ca 0.58 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.28 2yye h GLU 308 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2yye h GLU 308 CO -0.33 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 177.88 2yye n LYS 309 N -3.85 1.62 -0.21 2.33 2.85 0.22 -4.76 118.16 116.36 2yye n LYS 309 Ca 0.09 -0.29 -0.01 0.00 -1.05 0.00 0.00 58.31 57.06 2yye n LYS 309 Cb 0.68 -0.77 0.10 0.00 -0.65 0.00 0.00 35.03 34.39 2yye n LYS 309 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 2yye h ILE 310 N 0.07 0.84 -0.14 0.58 6.09 -0.86 -1.19 117.51 122.90 2yye h ILE 310 Ca 0.00 -0.17 -0.09 0.00 -1.37 0.00 0.00 64.86 63.24 2yye h ILE 310 Cb 0.03 0.31 0.00 0.00 0.47 0.00 0.00 36.82 37.63 2yye h ILE 310 CO 0.00 0.09 -0.25 -0.78 -3.07 0.00 0.00 178.15 174.14 2yye h ASP 311 N 0.49 0.46 -0.46 2.19 3.58 -1.86 -1.89 116.42 118.94 2yye h ASP 311 Ca 0.30 -0.54 -0.08 0.00 0.42 0.00 0.00 57.03 57.13 2yye h ASP 311 Cb 0.31 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2yye h ASP 311 CO -0.26 0.92 -0.01 1.05 -2.88 0.00 0.00 179.24 178.07 2yye h GLU 312 N 0.02 0.82 -0.84 0.28 4.11 -1.85 -1.99 114.58 115.13 2yye h GLU 312 Ca 0.01 -0.27 -0.02 0.00 0.07 0.00 0.00 59.36 59.15 2yye h GLU 312 Cb 0.84 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 2yye h GLU 312 CO 0.06 0.88 0.44 1.15 0.07 0.00 0.00 179.01 181.60 2yye h THR 313 N 0.67 1.25 -0.41 -1.06 2.02 -1.26 -1.73 112.91 112.39 2yye h THR 313 Ca 0.13 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.50 2yye h THR 313 Cb 0.51 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2yye h THR 313 CO 0.03 0.29 -0.33 0.00 0.37 0.00 0.00 175.52 175.88 2yye h ALA 314 N 1.29 0.62 -0.48 6.16 0.00 -1.17 -0.94 119.26 124.74 2yye h ALA 314 Ca 0.29 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2yye h ALA 314 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2yye h ALA 314 CO -0.04 0.68 -0.04 0.87 0.00 0.00 0.00 179.25 180.71 2yye h LYS 315 N 0.79 0.87 -0.29 0.00 1.57 -1.20 0.14 116.57 118.45 2yye h LYS 315 Ca 0.08 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2yye h LYS 315 Cb 0.92 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 2yye h LYS 315 CO 0.09 0.94 0.18 1.49 -0.57 0.00 0.00 179.45 181.57 2yye h GLU 316 N 0.72 0.35 0.00 3.15 4.81 -1.21 -2.25 114.58 120.16 2yye h GLU 316 Ca 0.13 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2yye h GLU 316 Cb 0.57 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2yye h GLU 316 CO 0.03 0.23 0.00 1.28 -0.73 0.00 0.00 179.01 179.82 2yye n LEU 317 N -4.91 0.00 -2.96 1.64 4.77 -0.37 -4.93 117.00 110.24 2yye n LEU 317 Ca -0.01 0.50 -0.16 0.00 -0.03 0.00 0.00 56.01 56.31 2yye n LEU 317 Cb 0.04 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.70 2yye n LEU 317 CO 0.33 -0.08 0.13 -0.62 -1.33 0.00 0.00 177.39 175.82 2yye n GLU 318 N -1.50 -5.70 -4.18 3.23 1.02 0.42 -4.94 120.64 109.00 2yye n GLU 318 Ca 0.06 0.67 -0.16 0.00 -0.02 0.00 0.00 57.16 57.72 2yye n GLU 318 Cb 0.29 -5.20 -0.14 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.28 0.50 0.55 2.62 0.11 -0.76 -5.05 120.40 115.10 2yye s VAL 319 Ca 0.17 -0.43 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 2yye s VAL 319 Cb -0.07 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2yye s VAL 319 CO 0.58 0.03 0.90 0.20 -3.33 0.00 0.00 175.10 173.49 2yye s ASN 320 N -0.44 6.23 0.00 3.54 0.01 -1.26 -4.61 114.94 118.42 2yye s ASN 320 Ca -0.00 1.16 -0.23 0.00 -0.71 0.00 0.00 52.86 53.08 2yye s ASN 320 Cb -0.04 -2.34 0.05 0.00 0.41 0.00 0.00 41.25 39.33 2yye s ASN 320 CO -0.00 -0.73 0.52 -0.72 -1.51 0.00 0.00 177.10 174.66 2yye s TYR 321 N -2.96 -0.44 -0.03 2.20 -0.85 -1.26 -4.57 117.35 109.45 2yye s TYR 321 Ca 0.51 0.62 0.00 0.00 -0.52 0.00 0.00 57.07 57.68 2yye s TYR 321 Cb -0.11 0.30 0.03 0.00 0.38 0.00 0.00 41.96 42.56 2yye s TYR 321 CO 0.49 -0.58 -0.00 -1.58 -1.52 0.00 0.00 175.55 172.36 2yye s TRP 322 N -1.83 0.35 -0.51 -3.49 0.51 -0.23 -4.98 118.94 108.76 2yye s TRP 322 Ca -0.09 -0.02 -0.23 0.00 -2.12 0.00 0.00 56.10 53.65 2yye s TRP 322 Cb -0.01 -0.43 0.04 0.00 -0.81 0.00 0.00 33.47 32.26 2yye s TRP 322 CO 0.03 -0.13 0.83 0.42 -0.51 0.00 0.00 176.95 177.59 2yye s ILE 323 N 1.00 4.56 -1.51 2.03 1.01 -1.26 -1.20 121.20 125.84 2yye s ILE 323 Ca -0.10 0.16 0.20 0.00 0.00 0.00 0.00 60.65 60.91 2yye s ILE 323 Cb -0.14 -4.43 -0.09 0.00 0.01 0.00 0.00 42.46 37.81 2yye s ILE 323 CO -0.02 -0.94 0.95 2.30 0.00 0.00 0.00 174.94 177.23 2yye n ILE 324 N 6.06 0.00 -3.26 2.92 -5.35 0.02 -4.86 119.36 114.89 2yye n ILE 324 Ca 0.00 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 2yye n ILE 324 Cb 0.47 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 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 1.40 -1.01 3.22 3.28 0.00 -1.21 -1.58 105.19 109.29 2yye n GLY 325 Ca 0.07 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.52 0.66 0.52 1.61 -1.05 -0.73 0.25 118.70 119.43 2yye s GLU 326 Ca 0.00 -0.27 -0.18 0.00 -0.15 0.00 0.00 54.97 54.37 2yye s GLU 326 Cb 0.00 0.29 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 2yye s GLU 326 CO 0.00 -0.18 1.01 0.95 0.95 0.00 0.00 175.26 177.98 2yye s THR 327 N -1.51 4.20 0.17 1.83 -4.23 0.00 -0.67 115.64 115.42 2yye s THR 327 Ca -0.13 1.16 -0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2yye s THR 327 Cb -0.05 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 2yye s THR 327 CO 0.03 -0.50 0.08 0.27 -0.54 0.00 0.00 174.62 173.95 2yye s ILE 328 N -2.40 0.18 0.11 2.99 -4.36 -0.29 -2.44 121.20 115.00 2yye s ILE 328 Ca 0.62 -1.96 -0.12 0.00 -0.26 0.00 0.00 60.65 58.93 2yye s ILE 328 Cb -0.12 -2.25 -0.13 0.00 1.25 0.00 0.00 42.46 41.20 2yye s ILE 328 CO 0.28 -0.28 1.35 0.00 0.24 0.00 0.00 174.94 176.53 2yye h ALA 329 N 2.72 0.37 -2.14 2.27 0.00 -1.96 -0.11 119.26 120.41 2yye h ALA 329 Ca -0.36 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.43 2yye h ALA 329 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2yye h ALA 329 CO 0.58 0.68 1.21 -2.00 0.00 0.00 0.00 179.25 179.71 2yye s GLU 330 N -3.92 3.83 -1.00 0.00 2.12 -1.26 -4.40 118.70 114.07 2yye s GLU 330 Ca -0.11 2.05 -0.22 0.00 0.36 0.00 0.00 54.97 57.05 2yye s GLU 330 Cb 0.09 -4.12 -0.12 0.00 0.26 0.00 0.00 34.13 30.25 2yye s GLU 330 CO 0.90 -1.28 1.92 0.09 -0.54 0.00 0.00 175.26 176.35 2yye n ASN 331 N 8.58 2.87 -3.96 -1.70 4.13 -1.26 -3.24 115.26 120.68 2yye n ASN 331 Ca 0.21 -2.70 -0.09 0.00 1.68 0.00 0.00 54.58 53.68 2yye n ASN 331 Cb 0.44 -1.45 -0.07 0.00 -1.54 0.00 0.00 39.78 37.15 2yye n ASN 331 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2yye s VAL 332 N 8.16 0.08 -0.41 2.41 0.11 -1.26 -4.89 120.40 124.60 2yye s VAL 332 Ca 0.63 -1.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.24 2yye s VAL 332 Cb 0.06 -1.79 0.10 0.00 -1.53 0.00 0.00 36.38 33.23 2yye s VAL 332 CO 0.13 -0.36 0.21 -0.22 -3.33 0.00 0.00 175.10 171.52 2yye s LEU 333 N -2.96 5.19 -0.27 2.54 2.96 0.24 -1.53 118.68 124.85 2yye s LEU 333 Ca 0.16 -1.93 -0.13 0.00 -0.22 0.00 0.00 54.13 52.01 2yye s LEU 333 Cb 0.04 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2yye s LEU 333 CO -0.01 -0.54 0.30 -0.70 -1.32 0.00 0.00 176.35 174.08 2yye s GLU 334 N 1.19 4.00 -0.31 1.98 2.12 0.31 -0.66 118.70 127.33 2yye s GLU 334 Ca 0.07 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2yye s GLU 334 Cb -0.23 -3.65 0.07 0.00 0.26 0.00 0.00 34.13 30.58 2yye s GLU 334 CO -0.03 -0.22 0.01 0.08 -0.54 0.00 0.00 175.26 174.55 2yye s VAL 335 N 1.89 2.64 -1.01 3.70 1.01 -0.55 0.02 120.40 128.10 2yye s VAL 335 Ca 0.12 -1.76 0.08 0.00 0.00 0.00 0.00 61.98 60.42 2yye s VAL 335 Cb -0.16 -2.66 0.06 0.00 0.00 0.00 0.00 36.38 33.63 2yye s VAL 335 CO 0.10 -0.27 0.76 0.18 0.00 0.00 0.00 175.10 175.87