#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1usb s GLU 3 N 0.00 4.11 0.26 0.00 2.56 -1.26 -4.96 118.70 119.41 1usb s GLU 3 Ca 0.00 2.51 -0.30 0.00 0.00 0.00 0.00 54.97 57.18 1usb s GLU 3 Cb 0.00 -4.14 -0.10 0.00 2.00 0.00 0.00 34.13 31.89 1usb s GLU 3 CO 0.00 -0.98 1.45 0.15 -0.56 0.00 0.00 175.26 175.32 1usb s LYS 4 N 4.45 4.25 0.38 4.30 1.02 -1.26 -4.77 119.74 128.11 1usb s LYS 4 Ca 0.86 2.33 -0.27 0.00 0.02 0.00 0.00 55.97 58.91 1usb s LYS 4 Cb -0.41 -3.10 -0.11 0.00 -0.52 0.00 0.00 37.83 33.70 1usb s LYS 4 CO 0.39 -0.43 1.36 -2.30 -0.92 0.00 0.00 175.35 173.45 1usb n PRO 5 N 2.21 2.28 -4.24 -1.68 -0.02 -1.26 -4.81 135.00 127.48 1usb n PRO 5 Ca 0.06 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 1usb n PRO 5 Cb 0.40 -2.47 -0.16 0.00 -0.02 0.00 0.00 33.50 31.25 1usb n PRO 5 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1usb s LYS 6 N -2.05 3.11 -0.25 -0.52 1.02 -0.41 -1.48 119.74 119.15 1usb s LYS 6 Ca 0.56 -0.78 -0.13 0.00 0.02 0.00 0.00 55.97 55.64 1usb s LYS 6 Cb -0.52 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1usb s LYS 6 CO 0.62 -0.14 0.27 -0.51 -0.92 0.00 0.00 175.35 174.67 1usb s LEU 7 N 1.17 4.07 -0.34 3.17 1.43 0.18 -0.73 118.68 127.63 1usb s LEU 7 Ca 0.01 0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 1usb s LEU 7 Cb -0.14 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.82 1usb s LEU 7 CO -0.07 -0.06 0.17 -1.00 0.23 0.00 0.00 176.35 175.61 1usb s HIS 8 N 1.58 3.20 0.17 0.29 3.76 0.11 -0.94 115.29 123.48 1usb s HIS 8 Ca 0.12 -0.77 -0.24 0.00 -0.15 0.00 0.00 55.06 54.01 1usb s HIS 8 Cb -0.15 -2.38 0.06 0.00 1.11 0.00 0.00 32.58 31.22 1usb s HIS 8 CO 0.08 -0.55 0.92 -0.47 -0.85 0.00 0.00 174.74 173.88 1usb s TYR 9 N 1.58 -0.14 0.91 1.40 5.04 -1.24 -2.22 117.35 122.68 1usb s TYR 9 Ca 0.03 -0.20 -0.11 0.00 -2.44 0.00 0.00 57.07 54.36 1usb s TYR 9 Cb -0.18 0.65 0.14 0.00 0.35 0.00 0.00 41.96 42.92 1usb s TYR 9 CO 0.06 -0.89 1.12 -0.06 -1.34 0.00 0.00 175.55 174.43 1usb s PHE 10 N -3.38 1.86 -1.24 4.97 0.08 -1.26 -1.37 117.98 117.63 1usb s PHE 10 Ca 0.12 1.63 -0.15 0.00 0.12 0.00 0.00 56.93 58.65 1usb s PHE 10 Cb -0.02 -3.24 0.14 0.00 -0.57 0.00 0.00 43.02 39.33 1usb s PHE 10 CO 0.03 -2.67 1.54 1.21 -0.10 0.00 0.00 175.22 175.23 1usb s ASN 11 N -2.88 7.00 0.01 1.36 3.04 -1.26 -4.78 114.94 117.43 1usb s ASN 11 Ca 0.65 -2.82 -0.29 0.00 0.04 0.00 0.00 52.86 50.45 1usb s ASN 11 Cb -0.21 -2.46 0.10 0.00 -1.54 0.00 0.00 41.25 37.13 1usb s ASN 11 CO 0.58 -0.89 0.99 0.00 -3.04 0.00 0.00 177.10 174.74 1usb s ALA 12 N 2.47 -1.86 0.00 1.71 0.00 -1.26 -5.08 121.76 117.74 1usb s ALA 12 Ca 0.47 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.27 1usb s ALA 12 Cb -0.01 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1usb s ALA 12 CO 0.03 -0.80 0.74 0.54 0.00 0.00 0.00 175.76 176.27 1usb n ARG 13 N -0.30 0.00 0.00 0.00 1.74 -1.26 -4.77 116.66 112.06 1usb n ARG 13 Ca -0.07 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 1usb n ARG 13 Cb 0.61 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1usb n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1usb n GLY 14 N -0.38 1.70 0.07 -0.13 0.00 -1.26 -1.77 105.19 103.42 1usb n GLY 14 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1usb n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1usb n ARG 15 N 10.34 0.66 0.07 1.61 1.74 -1.26 -3.69 116.66 126.12 1usb n ARG 15 Ca 0.00 -0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.05 1usb n ARG 15 Cb 0.00 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1usb n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1usb n MET 16 N -1.04 0.47 -0.22 5.56 1.56 -1.02 -4.61 117.12 117.82 1usb n MET 16 Ca 0.15 0.06 -0.06 0.00 -0.27 0.00 0.00 57.70 57.59 1usb n MET 16 Cb 0.25 -1.72 0.04 0.00 2.15 0.00 0.00 33.22 33.94 1usb n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1usb h GLU 17 N 0.00 0.82 -0.06 2.12 4.57 -1.42 -2.06 114.58 118.55 1usb h GLU 17 Ca 0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1usb h GLU 17 Cb 0.89 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1usb h GLU 17 CO 0.00 0.54 -0.03 0.66 -1.18 0.00 0.00 179.01 179.00 1usb h SER 18 N 0.84 0.07 -0.32 1.04 4.64 -1.85 -0.01 113.55 117.96 1usb h SER 18 Ca 0.23 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 1usb h SER 18 Cb -0.09 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1usb h SER 18 CO -0.05 0.12 -0.44 0.74 -0.87 0.00 0.00 176.83 176.33 1usb h THR 19 N 0.08 1.28 -0.27 2.95 2.02 -1.69 -1.96 112.91 115.32 1usb h THR 19 Ca 0.02 -1.62 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1usb h THR 19 Cb 0.11 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1usb h THR 19 CO 0.00 0.53 0.14 0.03 0.37 0.00 0.00 175.52 176.60 1usb h ARG 20 N 0.66 0.38 -0.28 6.66 3.08 -0.67 -1.42 114.38 122.78 1usb h ARG 20 Ca 0.04 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.07 1usb h ARG 20 Cb 1.04 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1usb h ARG 20 CO 0.10 0.35 0.06 -1.49 -1.07 0.00 0.00 179.97 177.92 1usb h TRP 21 N 0.31 0.10 0.08 3.04 4.06 -1.02 -1.57 115.95 120.96 1usb h TRP 21 Ca 0.09 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1usb h TRP 21 Cb 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1usb h TRP 21 CO -0.03 0.03 -0.04 1.25 -3.56 0.00 0.00 178.44 176.09 1usb h LEU 22 N 0.17 -0.09 -0.46 -4.49 5.85 -1.18 0.82 115.31 115.93 1usb h LEU 22 Ca 0.13 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1usb h LEU 22 Cb 0.13 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1usb h LEU 22 CO -0.16 0.16 0.14 -0.07 -0.34 0.00 0.00 178.44 178.17 1usb h LEU 23 N -0.35 0.11 -0.59 2.25 3.38 -1.28 -2.01 115.31 116.83 1usb h LEU 23 Ca -0.01 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1usb h LEU 23 Cb 0.30 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1usb h LEU 23 CO 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 178.44 178.61 1usb h ALA 24 N 1.32 0.79 -0.16 1.53 0.00 -1.23 0.64 119.26 122.16 1usb h ALA 24 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1usb h ALA 24 Cb 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1usb h ALA 24 CO -0.25 0.66 0.09 0.00 0.00 0.00 0.00 179.25 179.75 1usb h ALA 25 N 0.97 1.85 -0.01 0.00 0.00 -0.52 -1.05 119.26 120.51 1usb h ALA 25 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1usb h ALA 25 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1usb h ALA 25 CO 0.04 0.13 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 1usb n ALA 26 N -2.51 2.64 -1.31 0.00 0.00 -0.78 -4.71 120.51 113.84 1usb n ALA 26 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 53.44 53.06 1usb n ALA 26 Cb 0.09 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.22 1usb n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1usb n GLY 27 N 1.12 0.59 3.67 0.00 0.00 -0.40 -4.99 105.19 105.18 1usb n GLY 27 Ca 0.20 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 1usb n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1usb s VAL 28 N -2.16 5.26 0.01 1.61 1.01 0.17 -5.01 120.40 121.29 1usb s VAL 28 Ca 0.00 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1usb s VAL 28 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 1usb s VAL 28 CO 0.00 0.29 1.06 -1.61 0.00 0.00 0.00 175.10 174.84 1usb s GLU 29 N 1.21 4.51 0.13 2.72 2.02 -1.26 -4.28 118.70 123.75 1usb s GLU 29 Ca 0.14 1.54 0.01 0.00 0.02 0.00 0.00 54.97 56.69 1usb s GLU 29 Cb -0.14 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.61 1usb s GLU 29 CO 0.06 -0.14 -0.02 -0.59 0.02 0.00 0.00 175.26 174.59 1usb s PHE 30 N 1.11 1.01 0.06 1.61 -0.12 -1.26 -4.28 117.98 116.11 1usb s PHE 30 Ca 0.54 -1.00 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1usb s PHE 30 Cb -0.24 -0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 1usb s PHE 30 CO 0.28 -0.22 0.05 -1.21 -0.05 0.00 0.00 175.22 174.07 1usb s GLU 31 N -3.89 2.82 -0.09 1.99 2.02 -0.55 -5.01 118.70 115.99 1usb s GLU 31 Ca 0.18 -0.69 0.01 0.00 0.02 0.00 0.00 54.97 54.49 1usb s GLU 31 Cb 0.06 -2.70 -0.02 0.00 0.10 0.00 0.00 34.13 31.57 1usb s GLU 31 CO -0.01 0.58 -0.11 -1.21 0.02 0.00 0.00 175.26 174.53 1usb s GLU 32 N -2.19 2.94 -0.42 1.61 2.02 -1.26 -0.65 118.70 120.75 1usb s GLU 32 Ca 0.27 -0.63 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 1usb s GLU 32 Cb -0.12 -2.56 0.11 0.00 0.10 0.00 0.00 34.13 31.66 1usb s GLU 32 CO 0.19 0.48 0.19 0.21 0.02 0.00 0.00 175.26 176.34 1usb s LYS 33 N -0.34 1.90 0.36 1.61 2.20 -0.11 -4.92 119.74 120.44 1usb s LYS 33 Ca 0.04 -1.97 -0.28 0.00 -0.36 0.00 0.00 55.97 53.40 1usb s LYS 33 Cb -0.13 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 32.63 1usb s LYS 33 CO 0.02 -1.05 1.27 -0.06 -0.36 0.00 0.00 175.35 175.18 1usb s PHE 34 N 0.84 3.03 -0.39 4.03 0.08 -1.26 -3.65 117.98 120.67 1usb s PHE 34 Ca 0.11 1.45 -0.14 0.00 0.12 0.00 0.00 56.93 58.47 1usb s PHE 34 Cb -0.22 -3.61 0.01 0.00 -0.57 0.00 0.00 43.02 38.63 1usb s PHE 34 CO -0.05 -1.75 0.28 0.42 -0.10 0.00 0.00 175.22 174.02 1usb s ILE 35 N -1.21 5.27 -0.10 0.64 1.01 -0.47 -4.93 121.20 121.41 1usb s ILE 35 Ca 0.52 -0.50 0.11 0.00 0.00 0.00 0.00 60.65 60.78 1usb s ILE 35 Cb -0.38 -3.85 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 1usb s ILE 35 CO 0.49 -0.20 0.10 0.29 0.00 0.00 0.00 174.94 175.61 1usb n LYS 36 N 5.14 1.65 -4.39 2.79 5.02 -1.26 -4.40 118.16 122.71 1usb n LYS 36 Ca -0.12 -0.03 -0.23 0.00 -2.02 0.00 0.00 58.31 55.92 1usb n LYS 36 Cb 0.48 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.07 1usb n LYS 36 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1usb s SER 37 N -4.26 3.02 0.52 4.39 1.04 -1.26 -5.01 113.70 112.14 1usb s SER 37 Ca -0.06 -0.93 0.19 0.00 0.48 0.00 0.00 55.95 55.63 1usb s SER 37 Cb 0.05 -0.21 1.31 0.00 0.10 0.00 0.00 66.02 67.27 1usb s SER 37 CO 0.51 -0.01 2.09 0.00 0.98 0.00 0.00 173.24 176.80 1usb h ALA 38 N 2.87 2.19 -0.79 5.32 0.00 -1.92 -0.86 119.26 126.07 1usb h ALA 38 Ca -0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1usb h ALA 38 Cb 1.22 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1usb h ALA 38 CO 0.55 -0.25 0.36 1.49 0.00 0.00 0.00 179.25 181.40 1usb h GLU 39 N 0.01 1.14 -0.44 0.00 4.81 -1.95 -0.62 114.58 117.52 1usb h GLU 39 Ca 0.10 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1usb h GLU 39 Cb 0.40 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1usb h GLU 39 CO -0.00 0.89 0.26 -0.44 -0.73 0.00 0.00 179.01 178.99 1usb h ASP 40 N 1.13 0.54 -0.12 1.04 3.32 -1.55 0.07 116.42 120.84 1usb h ASP 40 Ca 0.27 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1usb h ASP 40 Cb 0.13 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1usb h ASP 40 CO -0.03 0.44 0.03 0.25 -1.72 0.00 0.00 179.24 178.21 1usb h LEU 41 N 0.59 0.18 -1.01 1.55 5.85 -1.37 -2.84 115.31 118.26 1usb h LEU 41 Ca 0.16 -0.23 0.13 0.00 0.84 0.00 0.00 57.88 58.79 1usb h LEU 41 Cb 0.01 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 1usb h LEU 41 CO -0.03 0.36 0.63 0.44 -0.34 0.00 0.00 178.44 179.50 1usb h ASP 42 N -0.01 0.91 -0.42 1.25 3.45 -0.93 -0.62 116.42 120.05 1usb h ASP 42 Ca 0.04 0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.54 1usb h ASP 42 Cb 0.25 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1usb h ASP 42 CO 0.00 0.45 0.19 0.50 -1.57 0.00 0.00 179.24 178.81 1usb h LYS 43 N 0.96 0.61 -0.50 3.56 3.64 -0.89 -0.06 116.57 123.90 1usb h LYS 43 Ca 0.51 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1usb h LYS 43 Cb 0.57 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1usb h LYS 43 CO -0.29 0.55 0.30 -0.07 -2.27 0.00 0.00 179.45 177.67 1usb h LEU 44 N 0.53 0.60 -0.23 5.20 3.38 -1.08 -1.32 115.31 122.39 1usb h LEU 44 Ca 0.14 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1usb h LEU 44 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1usb h LEU 44 CO -0.02 0.48 0.10 0.03 0.09 0.00 0.00 178.44 179.13 1usb h ARG 45 N 0.66 0.22 0.00 1.13 3.08 -0.81 -2.59 114.38 116.07 1usb h ARG 45 Ca 0.18 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.13 1usb h ARG 45 Cb -0.01 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1usb h ARG 45 CO -0.03 0.15 -0.40 -0.91 -1.07 0.00 0.00 179.97 177.70 1usb h ASN 46 N 0.23 0.00 0.30 7.04 -0.26 -0.91 -1.32 115.58 120.66 1usb h ASN 46 Ca 0.10 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 1usb h ASN 46 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1usb h ASN 46 CO -0.08 0.40 0.00 0.47 -1.06 0.00 0.00 177.43 177.16 1usb n ASP 47 N -3.63 0.00 -0.43 5.81 8.00 -0.51 -4.89 116.55 120.90 1usb n ASP 47 Ca -0.01 -0.03 -0.06 0.00 0.71 0.00 0.00 54.79 55.41 1usb n ASP 47 Cb 0.50 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 1usb n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1usb n GLY 48 N 0.22 0.81 0.06 0.44 0.00 -0.50 -4.94 105.19 101.28 1usb n GLY 48 Ca 0.09 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1usb n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1usb n TYR 49 N -2.80 0.53 -3.97 1.61 0.53 -0.99 -4.67 117.16 107.41 1usb n TYR 49 Ca -0.06 0.15 -0.33 0.00 -1.02 0.00 0.00 57.90 56.65 1usb n TYR 49 Cb 0.20 -0.69 -0.14 0.00 -1.03 0.00 0.00 39.34 37.68 1usb n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1usb s LEU 50 N -3.97 4.11 0.27 7.72 1.43 -1.26 -4.82 118.68 122.15 1usb s LEU 50 Ca 0.10 -1.60 -0.00 0.00 -1.03 0.00 0.00 54.13 51.60 1usb s LEU 50 Cb 0.14 -1.66 0.55 0.00 0.03 0.00 0.00 46.19 45.26 1usb s LEU 50 CO 0.64 -0.30 1.78 -0.03 0.23 0.00 0.00 176.35 178.66 1usb h MET 51 N 7.85 0.68 -0.28 1.70 1.85 -1.87 -2.16 114.93 122.70 1usb h MET 51 Ca -0.16 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 58.83 1usb h MET 51 Cb 1.04 -0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.89 1usb h MET 51 CO 0.53 0.45 -0.01 1.19 -0.40 0.00 0.00 176.91 178.67 1usb n PHE 52 N -4.81 0.96 -1.32 1.39 3.72 -1.26 -4.95 117.46 111.19 1usb n PHE 52 Ca 0.18 -1.09 -0.11 0.00 -0.05 0.00 0.00 57.45 56.38 1usb n PHE 52 Cb 0.43 -0.36 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1usb n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1usb n GLN 53 N -0.74 -0.94 -4.23 -1.08 1.13 -0.81 -5.00 117.38 105.71 1usb n GLN 53 Ca 0.25 0.85 -0.19 0.00 -1.94 0.00 0.00 57.00 55.97 1usb n GLN 53 Cb 0.93 -4.88 -0.11 0.00 0.11 0.00 0.00 30.24 26.29 1usb n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1usb s GLN 54 N -2.81 0.99 0.31 -1.09 -0.21 -1.26 -4.98 119.66 110.62 1usb s GLN 54 Ca 0.00 -1.17 0.07 0.00 0.02 0.00 0.00 55.36 54.28 1usb s GLN 54 Cb 0.00 -0.95 -0.03 0.00 1.00 0.00 0.00 33.01 33.03 1usb s GLN 54 CO 0.00 0.20 0.26 0.14 -2.12 0.00 0.00 175.29 173.77 1usb s VAL 55 N -1.82 3.78 0.63 1.09 -7.23 -1.26 -4.61 120.40 110.97 1usb s VAL 55 Ca 0.06 -1.39 -0.18 0.00 -1.81 0.00 0.00 61.98 58.66 1usb s VAL 55 Cb -0.07 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.62 1usb s VAL 55 CO 0.03 -0.23 1.24 -2.16 -0.31 0.00 0.00 175.10 173.68 1usb s PRO 56 N -3.95 2.72 -0.01 4.82 0.04 -1.26 -4.96 135.00 132.40 1usb s PRO 56 Ca 0.39 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1usb s PRO 56 Cb -0.06 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1usb s PRO 56 CO 0.26 -1.42 -0.03 1.41 0.04 0.00 0.00 177.00 177.25 1usb s MET 57 N -3.41 0.33 -0.10 4.56 1.75 -0.94 -3.82 119.30 117.66 1usb s MET 57 Ca 0.79 -0.11 0.01 0.00 -1.25 0.00 0.00 55.69 55.14 1usb s MET 57 Cb -0.33 -0.34 0.02 0.00 2.84 0.00 0.00 34.83 37.02 1usb s MET 57 CO 0.37 0.05 -0.12 0.08 -0.65 0.00 0.00 175.02 174.74 1usb s VAL 58 N 0.09 1.28 -0.34 10.11 1.01 0.06 0.08 120.40 132.70 1usb s VAL 58 Ca -0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1usb s VAL 58 Cb -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 36.38 35.14 1usb s VAL 58 CO -0.00 0.40 0.79 -1.61 0.00 0.00 0.00 175.10 174.68 1usb s GLU 59 N 1.13 3.85 -0.19 2.72 2.02 0.09 -0.73 118.70 127.60 1usb s GLU 59 Ca -0.05 0.44 -0.15 0.00 0.02 0.00 0.00 54.97 55.23 1usb s GLU 59 Cb -0.14 -3.77 0.05 0.00 0.10 0.00 0.00 34.13 30.37 1usb s GLU 59 CO -0.03 -0.78 0.49 -1.50 0.02 0.00 0.00 175.26 173.46 1usb s ILE 60 N 3.05 -0.01 -1.52 -1.63 2.07 -0.84 -1.28 121.20 121.04 1usb s ILE 60 Ca 0.32 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.55 1usb s ILE 60 Cb -0.14 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1usb s ILE 60 CO 0.15 0.01 0.06 0.47 -1.91 0.00 0.00 174.94 173.72 1usb n ASP 61 N 3.23 0.54 0.00 4.50 8.00 -1.26 -1.61 116.55 129.95 1usb n ASP 61 Ca -0.16 -1.28 0.00 0.00 0.71 0.00 0.00 54.79 54.06 1usb n ASP 61 Cb 0.56 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 1usb n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1usb n GLY 62 N -2.55 0.90 3.53 0.44 0.00 -1.26 -5.02 105.19 101.24 1usb n GLY 62 Ca -0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1usb n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1usb s MET 63 N -0.04 1.95 -0.73 1.61 -1.94 -0.63 -5.07 119.30 114.45 1usb s MET 63 Ca 0.00 -1.12 -0.06 0.00 -1.71 0.00 0.00 55.69 52.80 1usb s MET 63 Cb 0.00 -2.20 0.19 0.00 2.01 0.00 0.00 34.83 34.83 1usb s MET 63 CO 0.00 0.49 0.60 0.15 -0.01 0.00 0.00 175.02 176.25 1usb s LYS 64 N -2.24 3.00 -0.21 2.03 -0.14 -1.26 -1.98 119.74 118.95 1usb s LYS 64 Ca 0.20 -2.64 -0.21 0.00 -1.36 0.00 0.00 55.97 51.96 1usb s LYS 64 Cb -0.11 -3.98 -0.02 0.00 -1.68 0.00 0.00 37.83 32.04 1usb s LYS 64 CO 0.12 -1.22 0.64 -0.51 -0.76 0.00 0.00 175.35 173.62 1usb s LEU 65 N -0.23 4.13 0.45 3.17 1.43 0.10 -4.84 118.68 122.89 1usb s LEU 65 Ca 0.19 0.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.18 1usb s LEU 65 Cb -0.15 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.13 1usb s LEU 65 CO -0.06 -0.30 0.19 0.68 0.23 0.00 0.00 176.35 177.09 1usb s VAL 66 N 2.03 2.03 0.00 -1.59 -7.23 -1.26 -0.76 120.40 113.62 1usb s VAL 66 Ca 0.29 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 1usb s VAL 66 Cb -0.16 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.05 1usb s VAL 66 CO 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.89 1usb n GLN 67 N -1.33 0.00 -0.25 4.82 1.13 -1.25 -4.48 117.38 116.02 1usb n GLN 67 Ca -0.04 0.42 0.03 0.00 -1.94 0.00 0.00 57.00 55.47 1usb n GLN 67 Cb 0.65 -0.34 0.11 0.00 0.11 0.00 0.00 30.24 30.77 1usb n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1usb h THR 68 N 0.00 0.29 -0.38 5.09 2.02 -1.90 -1.00 112.91 117.03 1usb h THR 68 Ca 0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1usb h THR 68 Cb 0.00 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1usb h THR 68 CO 0.00 0.01 -0.05 0.03 0.37 0.00 0.00 175.52 175.88 1usb h ARG 69 N 0.03 0.63 -0.36 6.66 3.08 -1.97 -0.32 114.38 122.13 1usb h ARG 69 Ca 0.37 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 1usb h ARG 69 Cb 0.61 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1usb h ARG 69 CO -0.72 0.68 0.01 0.00 -1.07 0.00 0.00 179.97 178.86 1usb h ALA 70 N 1.36 0.48 0.05 0.04 0.00 -1.45 -1.03 119.26 118.72 1usb h ALA 70 Ca 0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1usb h ALA 70 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1usb h ALA 70 CO 0.02 0.24 -0.02 0.82 0.00 0.00 0.00 179.25 180.31 1usb h ILE 71 N 0.45 1.03 -0.13 0.00 2.04 -1.10 -2.16 117.51 117.64 1usb h ILE 71 Ca 0.10 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 1usb h ILE 71 Cb 0.45 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1usb h ILE 71 CO 0.02 0.06 0.06 -0.07 0.00 0.00 0.00 178.15 178.22 1usb h LEU 72 N -0.18 0.17 -0.70 1.44 3.38 -1.05 -2.05 115.31 116.31 1usb h LEU 72 Ca -0.01 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1usb h LEU 72 Cb 0.16 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1usb h LEU 72 CO 0.01 0.26 0.31 0.78 0.09 0.00 0.00 178.44 179.90 1usb h ASN 73 N 0.07 0.36 0.44 -0.43 2.35 -1.18 -0.44 115.58 116.74 1usb h ASN 73 Ca 0.04 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1usb h ASN 73 Cb 0.14 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1usb h ASN 73 CO -0.00 0.19 -0.21 0.22 -1.65 0.00 0.00 177.43 175.97 1usb h TYR 74 N 0.51 -0.55 -0.32 1.19 3.20 -1.22 -1.96 116.97 117.83 1usb h TYR 74 Ca 0.36 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.28 1usb h TYR 74 Cb 0.45 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 1usb h TYR 74 CO -0.14 -0.31 -0.05 0.82 -1.64 0.00 0.00 178.16 176.85 1usb h ILE 75 N -0.65 0.71 -0.95 1.81 2.04 -1.27 -0.18 117.51 119.01 1usb h ILE 75 Ca -0.06 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1usb h ILE 75 Cb 0.49 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1usb h ILE 75 CO 0.10 0.01 0.60 0.00 0.00 0.00 0.00 178.15 178.85 1usb h ALA 76 N 1.30 1.26 -0.35 1.87 0.00 -1.03 -1.07 119.26 121.24 1usb h ALA 76 Ca 0.15 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 1usb h ALA 76 Cb 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1usb h ALA 76 CO -0.30 0.66 -0.41 0.77 0.00 0.00 0.00 179.25 179.96 1usb h SER 77 N 1.31 0.97 -0.87 0.00 0.02 -1.06 0.95 113.55 114.87 1usb h SER 77 Ca 0.34 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1usb h SER 77 Cb -0.09 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 1usb h SER 77 CO -0.07 1.26 0.44 0.50 -1.14 0.00 0.00 176.83 177.82 1usb h LYS 78 N 0.71 1.24 -0.53 3.45 3.64 -0.48 -2.97 116.57 121.63 1usb h LYS 78 Ca 0.05 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.07 1usb h LYS 78 Cb 1.01 -0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.49 1usb h LYS 78 CO 0.10 0.94 0.14 0.66 -2.27 0.00 0.00 179.45 179.02 1usb n TYR 79 N -4.31 1.73 -3.68 1.91 4.01 -0.46 -4.96 117.16 111.39 1usb n TYR 79 Ca 0.09 -1.33 -0.24 0.00 -0.16 0.00 0.00 57.90 56.26 1usb n TYR 79 Cb 0.13 -0.57 0.06 0.00 -0.31 0.00 0.00 39.34 38.64 1usb n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1usb n ASN 80 N -0.68 -4.01 -0.07 7.72 3.02 -1.10 -4.91 115.26 115.24 1usb n ASN 80 Ca 0.36 -0.68 0.10 0.00 -0.03 0.00 0.00 54.58 54.32 1usb n ASN 80 Cb 1.19 -4.51 0.14 0.00 -0.61 0.00 0.00 39.78 35.99 1usb n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1usb n LEU 81 N -4.60 2.32 -0.90 3.41 4.77 0.31 -4.63 117.00 117.69 1usb n LEU 81 Ca -0.10 -3.05 -0.00 0.00 -0.03 0.00 0.00 56.01 52.82 1usb n LEU 81 Cb 0.60 -0.42 0.17 0.00 -2.33 0.00 0.00 43.42 41.44 1usb n LEU 81 CO 0.68 0.70 0.33 0.00 -1.33 0.00 0.00 177.39 177.77 1usb n TYR 82 N -1.41 0.57 -3.86 -1.77 4.19 -1.17 -0.93 117.16 112.78 1usb n TYR 82 Ca 0.16 -1.65 0.02 0.00 3.31 0.00 0.00 57.90 59.73 1usb n TYR 82 Cb 0.63 -0.27 -0.00 0.00 0.49 0.00 0.00 39.34 40.19 1usb n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1usb n GLY 83 N -1.04 -1.61 0.00 2.98 0.00 -1.26 -4.37 105.19 99.89 1usb n GLY 83 Ca 0.24 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1usb n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1usb n LYS 84 N -1.27 -0.52 -3.84 1.61 2.85 -1.26 -4.97 118.16 110.75 1usb n LYS 84 Ca 0.00 -0.60 -0.06 0.00 -1.05 0.00 0.00 58.31 56.60 1usb n LYS 84 Cb 0.06 -0.99 0.02 0.00 -0.65 0.00 0.00 35.03 33.47 1usb n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 1usb s ASP 85 N -0.11 -0.02 0.23 -5.58 1.47 -1.26 -5.05 116.67 106.35 1usb s ASP 85 Ca 0.00 -0.87 -0.06 0.00 1.18 0.00 0.00 52.55 52.80 1usb s ASP 85 Cb 0.00 0.67 0.31 0.00 -0.34 0.00 0.00 42.92 43.57 1usb s ASP 85 CO 0.00 -1.33 1.84 -0.29 0.68 0.00 0.00 175.17 176.08 1usb h ILE 86 N 2.00 1.03 -0.07 2.11 2.10 -1.97 -0.81 117.51 121.91 1usb h ILE 86 Ca -0.29 -0.32 -0.17 0.00 1.08 0.00 0.00 64.86 65.16 1usb h ILE 86 Cb 1.24 0.03 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 1usb h ILE 86 CO 0.37 0.17 -0.70 0.11 -1.08 0.00 0.00 178.15 177.02 1usb h LYS 87 N 0.92 0.31 -0.42 2.19 1.57 -1.99 -1.41 116.57 117.74 1usb h LYS 87 Ca 0.36 -0.25 -0.14 0.00 -1.87 0.00 0.00 60.65 58.75 1usb h LYS 87 Cb 0.17 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1usb h LYS 87 CO -0.17 0.89 -0.29 0.93 -0.57 0.00 0.00 179.45 180.23 1usb h GLU 88 N 0.22 0.92 -0.70 3.15 5.08 -1.82 -2.57 114.58 118.86 1usb h GLU 88 Ca -0.02 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 1usb h GLU 88 Cb 1.25 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1usb h GLU 88 CO 0.11 1.08 0.33 -0.09 -1.00 0.00 0.00 179.01 179.45 1usb h ARG 89 N 0.78 0.99 -0.48 2.33 2.43 -0.94 -0.81 114.38 118.68 1usb h ARG 89 Ca 0.09 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1usb h ARG 89 Cb 0.86 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.21 1usb h ARG 89 CO 0.08 0.77 0.26 0.00 -1.51 0.00 0.00 179.97 179.57 1usb h ALA 90 N 1.38 0.62 -0.38 2.80 0.00 -0.96 0.19 119.26 122.91 1usb h ALA 90 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1usb h ALA 90 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1usb h ALA 90 CO -0.03 0.14 0.16 -0.07 0.00 0.00 0.00 179.25 179.45 1usb h LEU 91 N 0.64 0.52 -0.54 0.00 3.38 -1.13 -1.29 115.31 116.89 1usb h LEU 91 Ca 0.17 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1usb h LEU 91 Cb 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1usb h LEU 91 CO -0.03 0.53 0.32 0.40 0.09 0.00 0.00 178.44 179.76 1usb h ILE 92 N 0.47 1.06 -0.56 1.22 2.04 -0.83 -1.96 117.51 118.94 1usb h ILE 92 Ca 0.13 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.65 1usb h ILE 92 Cb 0.17 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1usb h ILE 92 CO -0.01 0.12 -0.10 0.44 0.00 0.00 0.00 178.15 178.59 1usb h ASP 93 N 0.64 1.05 -0.76 1.72 3.32 -0.46 -0.57 116.42 121.36 1usb h ASP 93 Ca 0.22 -0.35 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 1usb h ASP 93 Cb 0.02 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1usb h ASP 93 CO -0.10 1.15 0.31 -0.03 -1.72 0.00 0.00 179.24 178.86 1usb h MET 94 N 0.93 1.14 0.08 3.56 1.85 -1.05 -0.27 114.93 121.17 1usb h MET 94 Ca 0.14 -0.20 -0.00 0.00 -0.61 0.00 0.00 59.70 59.03 1usb h MET 94 Cb 0.67 -0.19 0.00 0.00 0.43 0.00 0.00 31.60 32.52 1usb h MET 94 CO 0.05 0.92 -0.04 1.88 -0.40 0.00 0.00 176.91 179.32 1usb h TYR 95 N 1.12 -0.10 -0.14 1.39 0.99 -0.84 -2.60 116.97 116.79 1usb h TYR 95 Ca 0.26 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.93 1usb h TYR 95 Cb 0.20 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 37.95 1usb h TYR 95 CO 0.02 0.40 -0.17 -0.84 -0.00 0.00 0.00 178.16 177.57 1usb h ILE 96 N -0.66 1.20 -0.29 -2.88 3.07 -1.08 -1.21 117.51 115.66 1usb h ILE 96 Ca -0.01 -0.90 -0.08 0.00 1.55 0.00 0.00 64.86 65.42 1usb h ILE 96 Cb 0.54 1.28 -0.02 0.00 -0.27 0.00 0.00 36.82 38.36 1usb h ILE 96 CO 0.02 0.28 -0.14 -0.33 -1.05 0.00 0.00 178.15 176.92 1usb h GLU 97 N 0.22 0.51 -0.03 0.16 4.39 -1.02 0.44 114.58 119.25 1usb h GLU 97 Ca 0.04 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1usb h GLU 97 Cb 0.44 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1usb h GLU 97 CO 0.03 0.64 0.02 0.78 -1.16 0.00 0.00 179.01 179.32 1usb h GLY 98 N 0.94 0.05 0.55 -3.84 0.00 -1.00 -0.77 103.07 98.99 1usb h GLY 98 Ca 0.08 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1usb h GLY 98 CO 0.03 0.02 0.00 -2.22 0.00 0.00 0.00 176.54 174.38 1usb h ILE 99 N -0.04 0.79 -0.77 2.60 2.04 -0.84 -1.73 117.51 119.57 1usb h ILE 99 Ca 0.01 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.86 1usb h ILE 99 Cb 0.08 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1usb h ILE 99 CO -0.00 0.02 0.51 0.00 0.00 0.00 0.00 178.15 178.67 1usb h ALA 100 N 1.25 1.49 0.11 1.87 0.00 0.03 0.23 119.26 124.24 1usb h ALA 100 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1usb h ALA 100 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1usb h ALA 100 CO -0.23 0.45 -0.06 -0.44 0.00 0.00 0.00 179.25 178.97 1usb h ASP 101 N 1.00 -0.13 0.09 0.00 5.19 -0.26 0.80 116.42 123.11 1usb h ASP 101 Ca 0.29 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1usb h ASP 101 Cb -0.05 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1usb h ASP 101 CO -0.07 -0.09 -0.04 0.25 -3.12 0.00 0.00 179.24 176.17 1usb h LEU 102 N -0.16 -0.10 -1.55 1.55 5.85 -0.98 -2.27 115.31 117.65 1usb h LEU 102 Ca -0.02 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1usb h LEU 102 Cb 0.12 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1usb h LEU 102 CO 0.03 0.15 0.33 1.23 -0.34 0.00 0.00 178.44 179.83 1usb h GLY 103 N -0.36 0.66 1.28 3.75 0.00 -0.61 -1.24 103.07 106.55 1usb h GLY 103 Ca -0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 1usb h GLY 103 CO 0.02 0.22 0.01 -2.09 0.00 0.00 0.00 176.54 174.70 1usb h GLU 104 N 0.61 0.87 -0.54 4.80 4.57 -0.66 0.13 114.58 124.36 1usb h GLU 104 Ca 0.19 -0.24 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1usb h GLU 104 Cb 0.02 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1usb h GLU 104 CO -0.05 0.87 0.28 0.52 -1.18 0.00 0.00 179.01 179.45 1usb h MET 105 N 0.81 0.74 0.13 1.92 2.86 -0.63 -2.08 114.93 118.68 1usb h MET 105 Ca 0.15 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.52 1usb h MET 105 Cb 0.48 -0.15 0.02 0.00 0.06 0.00 0.00 31.60 32.00 1usb h MET 105 CO 0.02 0.56 -0.89 0.82 1.06 0.00 0.00 176.91 178.48 1usb h ILE 106 N 0.75 1.44 -0.73 -1.22 2.04 -1.18 -3.21 117.51 115.40 1usb h ILE 106 Ca 0.19 -2.50 0.16 0.00 1.00 0.00 0.00 64.86 63.70 1usb h ILE 106 Cb 0.04 3.12 -0.11 0.00 -0.74 0.00 0.00 36.82 39.13 1usb h ILE 106 CO -0.03 0.71 0.16 0.25 0.00 0.00 0.00 178.15 179.24 1usb h LEU 107 N -0.39 -0.02 -5.09 1.44 5.85 -0.69 -2.82 115.31 113.59 1usb h LEU 107 Ca -0.17 0.15 -0.75 0.00 0.84 0.00 0.00 57.88 57.95 1usb h LEU 107 Cb 1.63 0.20 -0.29 0.00 0.37 0.00 0.00 40.66 42.58 1usb h LEU 107 CO 0.13 -0.05 0.81 0.18 -0.34 0.00 0.00 178.44 179.17 1usb n LEU 108 N -5.17 7.11 -0.09 2.25 4.77 -0.79 -4.53 117.00 120.56 1usb n LEU 108 Ca 0.14 -4.97 -0.14 0.00 -0.03 0.00 0.00 56.01 51.01 1usb n LEU 108 Cb 0.45 -1.00 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1usb n LEU 108 CO 0.12 1.86 -1.12 -0.11 -1.33 0.00 0.00 177.39 176.82 1usb n LEU 109 N -0.47 2.72 0.00 2.23 7.94 -1.06 -4.57 117.00 123.78 1usb n LEU 109 Ca 0.51 -0.04 0.13 0.00 -1.11 0.00 0.00 56.01 55.49 1usb n LEU 109 Cb 0.29 -0.64 0.75 0.00 0.53 0.00 0.00 43.42 44.35 1usb n LEU 109 CO 0.49 0.75 0.94 -2.65 -1.11 0.00 0.00 177.39 175.81 1usb n PRO 110 N -3.18 0.74 -0.52 1.96 -0.02 -1.26 -3.17 135.00 129.55 1usb n PRO 110 Ca -0.34 0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.23 1usb n PRO 110 Cb 0.84 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 33.11 1usb n PRO 110 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1usb n VAL 111 N -1.04 2.09 -3.59 -1.45 0.31 -1.26 -5.02 118.33 108.37 1usb n VAL 111 Ca 0.18 -1.53 -0.20 0.00 -0.01 0.00 0.00 64.34 62.78 1usb n VAL 111 Cb 0.11 -0.07 -0.03 0.00 -0.91 0.00 0.00 33.84 32.94 1usb n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usb s PRO 113 N -4.11 4.19 0.00 0.00 0.02 -1.26 -4.88 135.00 128.97 1usb s PRO 113 Ca 0.46 2.31 0.08 0.00 0.02 0.00 0.00 61.00 63.87 1usb s PRO 113 Cb -0.05 -3.72 0.34 0.00 0.02 0.00 0.00 34.50 31.08 1usb s PRO 113 CO 0.28 -0.77 1.24 -0.35 -0.33 0.00 0.00 177.00 177.07 1usb n PRO 114 N 6.07 0.01 -0.00 5.54 -0.04 -1.26 -0.36 135.00 144.96 1usb n PRO 114 Ca 0.16 0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1usb n PRO 114 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 1usb n PRO 114 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1usb h GLU 115 N 0.00 0.04 -0.28 0.54 4.11 -2.04 -3.35 114.58 113.61 1usb h GLU 115 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 1usb h GLU 115 Cb 0.13 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1usb h GLU 115 CO 0.00 0.67 -0.02 0.39 0.07 0.00 0.00 179.01 180.11 1usb n GLU 116 N -3.15 2.36 0.10 1.06 1.02 -0.88 -4.59 120.64 116.55 1usb n GLU 116 Ca -0.16 -2.95 -0.15 0.00 -0.02 0.00 0.00 57.16 53.88 1usb n GLU 116 Cb 1.04 -1.81 -0.14 0.00 -0.02 0.00 0.00 31.44 30.51 1usb n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1usb h LYS 117 N 1.33 0.24 0.00 3.49 3.64 -0.83 -2.97 116.57 121.48 1usb h LYS 117 Ca 0.09 -0.42 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 1usb h LYS 117 Cb 1.50 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1usb h LYS 117 CO 0.27 1.19 -0.27 -0.44 -2.27 0.00 0.00 179.45 177.93 1usb h ASP 118 N 0.07 0.00 0.17 4.20 3.32 -1.81 -1.70 116.42 120.66 1usb h ASP 118 Ca -0.13 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 1usb h ASP 118 Cb 1.96 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.50 1usb h ASP 118 CO 0.19 0.27 -0.61 0.00 -1.72 0.00 0.00 179.24 177.37 1usb h ALA 119 N 1.73 0.71 -0.04 3.45 0.00 -1.84 -3.13 119.26 120.14 1usb h ALA 119 Ca -0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 1usb h ALA 119 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1usb h ALA 119 CO 0.03 0.71 -0.79 -0.22 0.00 0.00 0.00 179.25 178.99 1usb h LYS 120 N 0.33 0.31 -0.40 0.00 3.64 -1.33 -2.77 116.57 116.34 1usb h LYS 120 Ca -0.01 -0.28 -0.12 0.00 -1.27 0.00 0.00 60.65 58.98 1usb h LYS 120 Cb 1.15 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1usb h LYS 120 CO 0.11 0.95 -0.20 1.25 -2.27 0.00 0.00 179.45 179.29 1usb h LEU 121 N 0.20 0.88 -0.84 5.20 5.85 -1.37 -2.61 115.31 122.62 1usb h LEU 121 Ca -0.04 -0.41 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1usb h LEU 121 Cb 1.38 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1usb h LEU 121 CO 0.13 1.09 -0.39 0.00 -0.34 0.00 0.00 178.44 178.93 1usb h ALA 122 N 0.81 1.01 -0.20 1.25 0.00 -1.59 -2.45 119.26 118.09 1usb h ALA 122 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1usb h ALA 122 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1usb h ALA 122 CO 0.06 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.26 1usb h LEU 123 N 0.32 0.27 0.38 0.00 5.85 -1.36 -1.70 115.31 119.07 1usb h LEU 123 Ca 0.03 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1usb h LEU 123 Cb 0.84 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1usb h LEU 123 CO 0.07 0.32 -0.41 0.40 -0.34 0.00 0.00 178.44 178.48 1usb h ILE 124 N 0.19 0.00 -0.93 4.05 2.04 -1.40 -1.48 117.51 119.98 1usb h ILE 124 Ca 0.07 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.21 1usb h ILE 124 Cb 0.13 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.06 1usb h ILE 124 CO -0.01 0.00 0.32 0.11 0.00 0.00 0.00 178.15 178.57 1usb h LYS 125 N -0.80 0.18 -0.17 2.37 1.57 -1.37 0.38 116.57 118.73 1usb h LYS 125 Ca -0.05 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1usb h LYS 125 Cb 0.70 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1usb h LYS 125 CO -0.07 0.12 -0.63 1.49 -0.57 0.00 0.00 179.45 179.79 1usb h GLU 126 N 0.19 0.61 -0.13 3.15 4.22 -0.99 -2.60 114.58 119.01 1usb h GLU 126 Ca 0.63 -0.42 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1usb h GLU 126 Cb 1.37 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 1usb h GLU 126 CO -0.69 1.04 0.05 0.87 -2.18 0.00 0.00 179.01 178.10 1usb h LYS 127 N 0.45 0.20 -0.71 1.92 1.57 0.72 -1.04 116.57 119.68 1usb h LYS 127 Ca -0.01 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.87 1usb h LYS 127 Cb 1.20 -0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.35 1usb h LYS 127 CO 0.12 0.30 -0.23 0.82 -0.57 0.00 0.00 179.45 179.89 1usb h ILE 128 N 0.05 0.23 0.03 1.86 2.04 -0.96 1.18 117.51 121.94 1usb h ILE 128 Ca 0.04 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.69 1usb h ILE 128 Cb 0.17 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1usb h ILE 128 CO -0.00 0.00 -0.97 0.11 0.00 0.00 0.00 178.15 177.29 1usb h LYS 129 N -0.04 0.16 0.00 2.37 1.57 -1.17 -1.49 116.57 117.97 1usb h LYS 129 Ca 0.32 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1usb h LYS 129 Cb 0.54 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1usb h LYS 129 CO -0.74 1.00 -1.15 0.09 -0.57 0.00 0.00 179.45 178.08 1usb n ASN 130 N -3.57 1.83 0.00 0.86 3.02 -0.42 -4.50 115.26 112.48 1usb n ASN 130 Ca -0.04 -0.26 -0.02 0.00 -0.03 0.00 0.00 54.58 54.24 1usb n ASN 130 Cb 0.87 1.32 -0.01 0.00 -0.61 0.00 0.00 39.78 41.36 1usb n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1usb n ARG 131 N -1.66 0.09 -0.07 3.52 0.63 0.40 -4.78 116.66 114.80 1usb n ARG 131 Ca -0.01 0.04 -0.06 0.00 -0.92 0.00 0.00 57.85 56.90 1usb n ARG 131 Cb 0.24 -0.49 -0.03 0.00 0.45 0.00 0.00 32.46 32.62 1usb n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 1usb h TYR 132 N -0.17 0.00 -0.79 -0.14 -1.99 -1.51 -3.01 116.97 109.36 1usb h TYR 132 Ca 0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1usb h TYR 132 Cb 0.17 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.83 1usb h TYR 132 CO -0.07 0.29 0.43 0.74 -0.00 0.00 0.00 178.16 179.55 1usb h PHE 133 N -1.00 0.78 -0.55 4.88 -1.00 -1.50 0.44 116.94 118.99 1usb h PHE 133 Ca -0.04 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 1usb h PHE 133 Cb 0.45 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.75 1usb h PHE 133 CO -0.03 0.30 0.26 -1.35 -1.61 0.00 0.00 178.31 175.88 1usb h PRO 134 N 0.72 0.78 -0.70 1.51 0.11 -1.75 -1.15 132.00 131.51 1usb h PRO 134 Ca 0.39 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 1usb h PRO 134 Cb 0.39 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 1usb h PRO 134 CO -0.26 0.61 0.30 0.00 -0.21 0.00 0.00 178.00 178.44 1usb h ALA 135 N 1.51 0.91 0.13 -0.75 0.00 -0.80 -1.14 119.26 119.11 1usb h ALA 135 Ca 0.19 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 1usb h ALA 135 Cb 0.09 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1usb h ALA 135 CO -0.03 0.51 -1.23 0.74 0.00 0.00 0.00 179.25 179.25 1usb h PHE 136 N 0.99 0.69 -0.74 0.00 0.04 -1.19 -2.72 116.94 114.01 1usb h PHE 136 Ca 0.24 -0.46 0.05 0.00 2.80 0.00 0.00 57.97 60.59 1usb h PHE 136 Cb 0.18 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 1usb h PHE 136 CO 0.01 1.34 0.44 1.49 -0.60 0.00 0.00 178.31 180.99 1usb h GLU 137 N 0.15 0.81 -0.73 1.51 4.57 -1.20 -1.36 114.58 118.33 1usb h GLU 137 Ca -0.15 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.96 1usb h GLU 137 Cb 1.92 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.29 1usb h GLU 137 CO 0.21 0.53 0.41 -0.22 -1.18 0.00 0.00 179.01 178.76 1usb h LYS 138 N 0.83 1.02 -0.53 1.92 3.64 -1.10 -0.76 116.57 121.59 1usb h LYS 138 Ca 0.31 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 1usb h LYS 138 Cb 0.12 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1usb h LYS 138 CO -0.15 0.75 0.29 0.28 -2.27 0.00 0.00 179.45 178.35 1usb h VAL 139 N 1.01 1.18 -0.58 2.00 2.07 -1.14 -0.73 116.25 120.05 1usb h VAL 139 Ca 0.26 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 1usb h VAL 139 Cb 0.03 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1usb h VAL 139 CO -0.04 0.19 0.05 -0.07 0.02 0.00 0.00 177.57 177.72 1usb h LEU 140 N 0.71 0.94 -0.39 2.57 3.38 -0.81 -2.62 115.31 119.09 1usb h LEU 140 Ca 0.19 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1usb h LEU 140 Cb 0.04 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1usb h LEU 140 CO -0.03 0.97 -0.73 0.50 0.09 0.00 0.00 178.44 179.24 1usb h LYS 141 N 0.91 0.43 -0.13 1.13 3.64 -1.02 0.51 116.57 122.03 1usb h LYS 141 Ca 0.18 -0.35 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1usb h LYS 141 Cb 0.46 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1usb h LYS 141 CO 0.02 0.99 0.05 0.77 -2.27 0.00 0.00 179.45 179.00 1usb h SER 142 N 0.29 0.19 0.76 4.20 0.02 -0.94 -3.09 113.55 114.99 1usb h SER 142 Ca -0.03 -0.18 -0.20 0.00 -0.84 0.00 0.00 61.79 60.53 1usb h SER 142 Cb 1.31 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 1usb h SER 142 CO 0.13 0.32 -0.94 0.45 -1.14 0.00 0.00 176.83 175.65 1usb h HIS 143 N 0.05 0.16 -4.64 3.45 3.86 -1.46 -3.48 115.15 113.09 1usb h HIS 143 Ca 0.04 -0.10 -0.37 0.00 -1.16 0.00 0.00 60.37 58.78 1usb h HIS 143 Cb 0.19 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1usb h HIS 143 CO -0.01 0.97 -0.54 0.41 0.86 0.00 0.00 177.93 179.62 1usb n GLY 144 N 1.06 -0.50 3.69 2.45 0.00 0.17 -5.00 105.19 107.06 1usb n GLY 144 Ca -0.02 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1usb n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1usb s GLN 145 N -5.67 2.09 0.47 1.61 -0.21 -1.26 -5.03 119.66 111.66 1usb s GLN 145 Ca 0.27 -2.08 0.29 0.00 0.02 0.00 0.00 55.36 53.85 1usb s GLN 145 Cb -0.13 -1.74 0.94 0.00 1.00 0.00 0.00 33.01 33.08 1usb s GLN 145 CO 0.34 -0.15 1.82 -0.44 -2.12 0.00 0.00 175.29 174.73 1usb h ASP 146 N 1.55 0.00 -3.34 5.90 3.32 -1.94 -3.45 116.42 118.46 1usb h ASP 146 Ca -0.43 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.10 1usb h ASP 146 Cb 1.26 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.64 1usb h ASP 146 CO 0.76 0.00 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.20 1usb s TYR 147 N -3.44 1.84 0.19 4.55 2.02 -1.26 -4.94 117.35 116.32 1usb s TYR 147 Ca 0.04 -0.48 -0.04 0.00 -0.37 0.00 0.00 57.07 56.22 1usb s TYR 147 Cb 0.08 -0.89 0.11 0.00 -0.40 0.00 0.00 41.96 40.86 1usb s TYR 147 CO 0.58 0.38 1.52 -0.07 -1.57 0.00 0.00 175.55 176.38 1usb h LEU 148 N 2.99 0.66 -7.70 -1.29 3.38 -1.87 -3.42 115.31 108.06 1usb h LEU 148 Ca -0.41 -0.34 -0.36 0.00 0.09 0.00 0.00 57.88 56.87 1usb h LEU 148 Cb 1.21 -0.19 -0.33 0.00 0.09 0.00 0.00 40.66 41.45 1usb h LEU 148 CO 0.54 1.05 -0.76 -0.69 0.09 0.00 0.00 178.44 178.68 1usb s VAL 149 N -4.09 0.32 0.00 1.22 1.01 -1.26 -4.86 120.40 112.74 1usb s VAL 149 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1usb s VAL 149 Cb 0.11 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.13 1usb s VAL 149 CO 0.84 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.71 1usb n GLY 150 N 3.89 0.24 3.75 4.51 0.00 -1.26 -2.70 105.19 113.62 1usb n GLY 150 Ca -0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1usb n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1usb n ASN 151 N -0.52 -4.03 -3.66 1.61 5.15 -1.26 -4.98 115.26 107.57 1usb n ASN 151 Ca 0.00 -0.72 -0.13 0.00 -0.60 0.00 0.00 54.58 53.12 1usb n ASN 151 Cb 0.26 -4.29 -0.08 0.00 -0.53 0.00 0.00 39.78 35.14 1usb n ASN 151 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1usb s LYS 152 N -6.29 0.74 0.08 1.20 2.20 -1.10 -4.89 119.74 111.68 1usb s LYS 152 Ca 0.43 0.90 -0.37 0.00 -0.36 0.00 0.00 55.97 56.57 1usb s LYS 152 Cb -0.21 0.35 -0.17 0.00 -1.51 0.00 0.00 37.83 36.29 1usb s LYS 152 CO 0.80 -0.09 1.29 -0.11 -0.36 0.00 0.00 175.35 176.87 1usb n LEU 153 N 2.83 1.40 -4.20 5.43 7.94 -1.26 -4.60 117.00 124.54 1usb n LEU 153 Ca -0.14 1.13 -0.14 0.00 -1.11 0.00 0.00 56.01 55.74 1usb n LEU 153 Cb 0.56 -1.15 -0.09 0.00 0.53 0.00 0.00 43.42 43.26 1usb n LEU 153 CO 0.05 -1.18 -0.16 -0.94 -1.11 0.00 0.00 177.39 174.05 1usb s SER 154 N 0.39 0.58 0.55 1.96 1.04 -1.26 -4.76 113.70 112.20 1usb s SER 154 Ca 0.85 -1.47 0.25 0.00 0.48 0.00 0.00 55.95 56.06 1usb s SER 154 Cb -0.99 0.45 1.46 0.00 0.10 0.00 0.00 66.02 67.04 1usb s SER 154 CO 0.48 -0.94 2.04 0.08 0.98 0.00 0.00 173.24 175.89 1usb h ARG 155 N 2.44 0.00 -0.73 4.02 0.11 -1.41 -1.72 114.38 117.09 1usb h ARG 155 Ca -0.32 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.74 1usb h ARG 155 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 1usb h ARG 155 CO 0.47 0.00 0.36 0.00 0.10 0.00 0.00 179.97 180.90 1usb h ALA 156 N 1.76 0.94 -0.28 0.08 0.00 -1.89 0.24 119.26 120.12 1usb h ALA 156 Ca 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1usb h ALA 156 Cb 0.72 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1usb h ALA 156 CO -0.00 0.49 0.02 -0.44 0.00 0.00 0.00 179.25 179.31 1usb h ASP 157 N 1.02 0.46 0.07 0.00 3.32 -1.71 -0.84 116.42 118.75 1usb h ASP 157 Ca 0.25 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1usb h ASP 157 Cb 0.10 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1usb h ASP 157 CO -0.03 0.64 -0.04 0.40 -1.72 0.00 0.00 179.24 178.49 1usb h ILE 158 N 0.27 0.96 -0.25 0.35 2.04 -1.36 -1.53 117.51 118.00 1usb h ILE 158 Ca 0.08 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1usb h ILE 158 Cb 0.39 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1usb h ILE 158 CO 0.01 0.03 -0.29 -0.74 0.00 0.00 0.00 178.15 177.16 1usb h HIS 159 N -0.15 0.57 -0.46 1.37 2.76 -0.94 0.05 115.15 118.36 1usb h HIS 159 Ca -0.01 -0.13 -0.00 0.00 -2.20 0.00 0.00 60.37 58.02 1usb h HIS 159 Cb 0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1usb h HIS 159 CO -0.06 0.75 0.27 1.25 -1.30 0.00 0.00 177.93 178.84 1usb h LEU 160 N 0.44 0.55 -0.67 0.26 5.85 -1.03 -1.50 115.31 119.20 1usb h LEU 160 Ca 0.06 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 1usb h LEU 160 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1usb h LEU 160 CO 0.06 0.45 -0.20 0.58 -0.34 0.00 0.00 178.44 178.98 1usb h VAL 161 N 0.60 1.27 -0.32 1.05 2.07 -0.77 -0.00 116.25 120.15 1usb h VAL 161 Ca 0.16 -1.32 0.06 0.00 0.82 0.00 0.00 66.70 66.42 1usb h VAL 161 Cb 0.00 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1usb h VAL 161 CO -0.03 0.45 -0.00 -0.08 0.02 0.00 0.00 177.57 177.92 1usb h GLU 162 N 0.72 0.09 -0.85 1.57 4.81 -0.92 -1.26 114.58 118.73 1usb h GLU 162 Ca 0.10 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1usb h GLU 162 Cb 0.72 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.03 1usb h GLU 162 CO 0.06 0.06 0.55 1.25 -0.73 0.00 0.00 179.01 180.20 1usb h LEU 163 N 0.09 0.92 -0.97 1.64 5.85 -0.47 -2.37 115.31 120.00 1usb h LEU 163 Ca 0.16 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1usb h LEU 163 Cb 0.21 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1usb h LEU 163 CO -0.26 0.64 0.19 -0.07 -0.34 0.00 0.00 178.44 178.60 1usb h LEU 164 N 1.08 0.87 -0.31 2.25 3.38 -0.46 0.74 115.31 122.86 1usb h LEU 164 Ca 0.33 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1usb h LEU 164 Cb -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1usb h LEU 164 CO -0.11 0.82 0.06 1.88 0.09 0.00 0.00 178.44 181.18 1usb h TYR 165 N 0.91 0.10 -0.38 1.13 0.05 -0.81 -1.46 116.97 116.51 1usb h TYR 165 Ca 0.20 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.94 1usb h TYR 165 Cb 0.26 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1usb h TYR 165 CO 0.02 0.02 -0.01 1.88 -1.05 0.00 0.00 178.16 179.01 1usb h TYR 166 N 0.17 0.63 0.00 4.88 0.05 -0.90 -1.90 116.97 119.90 1usb h TYR 166 Ca 0.15 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.72 1usb h TYR 166 Cb 0.16 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 1usb h TYR 166 CO -0.18 0.62 -0.62 0.28 -1.05 0.00 0.00 178.16 177.21 1usb h VAL 167 N 0.57 1.41 -0.34 -2.88 2.07 -0.73 -2.81 116.25 113.54 1usb h VAL 167 Ca 0.12 -2.14 -0.17 0.00 0.82 0.00 0.00 66.70 65.33 1usb h VAL 167 Cb 0.38 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1usb h VAL 167 CO 0.01 0.61 -0.44 -0.08 0.02 0.00 0.00 177.57 177.69 1usb h GLU 168 N 0.00 0.91 0.00 1.57 4.81 -0.72 -0.86 114.58 120.29 1usb h GLU 168 Ca -0.01 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1usb h GLU 168 Cb 1.12 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1usb h GLU 168 CO 0.08 1.16 -0.01 0.93 -0.73 0.00 0.00 179.01 180.45 1usb h GLU 169 N 0.71 0.00 0.18 1.92 5.08 -1.26 -3.07 114.58 118.14 1usb h GLU 169 Ca 0.04 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.06 1usb h GLU 169 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.30 1usb h GLU 169 CO 0.10 0.01 -1.69 1.25 -1.00 0.00 0.00 179.01 177.68 1usb h LEU 170 N 0.00 0.60 -6.32 1.33 5.85 -1.27 -3.47 115.31 112.03 1usb h LEU 170 Ca -0.00 -0.86 0.19 0.00 0.84 0.00 0.00 57.88 58.05 1usb h LEU 170 Cb 0.01 -0.20 -0.23 0.00 0.37 0.00 0.00 40.66 40.61 1usb h LEU 170 CO 0.00 1.72 0.21 -0.62 -0.34 0.00 0.00 178.44 179.41 1usb s ASP 171 N -7.27 -0.54 0.48 1.25 2.15 -0.35 -5.06 116.67 107.33 1usb s ASP 171 Ca -0.14 0.62 0.30 0.00 0.43 0.00 0.00 52.55 53.76 1usb s ASP 171 Cb 0.05 1.57 1.10 0.00 -0.30 0.00 0.00 42.92 45.34 1usb s ASP 171 CO 0.86 -0.10 1.87 0.28 -0.17 0.00 0.00 175.17 177.91 1usb h SER 172 N 7.60 0.00 0.95 -0.34 0.02 -1.77 -3.04 113.55 116.97 1usb h SER 172 Ca -0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1usb h SER 172 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1usb h SER 172 CO 0.05 0.00 -0.28 -1.54 -1.14 0.00 0.00 176.83 173.91 1usb n SER 173 N -2.95 0.49 -0.31 3.07 3.41 -1.26 -4.25 113.62 111.81 1usb n SER 173 Ca 0.02 0.24 -0.04 0.00 -0.26 0.00 0.00 58.87 58.82 1usb n SER 173 Cb 0.34 -0.21 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1usb n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1usb h LEU 174 N 0.00 1.08 0.00 1.04 3.38 -1.87 -1.99 115.31 116.95 1usb h LEU 174 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1usb h LEU 174 Cb 0.62 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1usb h LEU 174 CO 0.00 0.88 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1usb n ILE 175 N -4.35 0.17 -0.24 1.22 3.06 -1.26 -4.41 119.36 113.54 1usb n ILE 175 Ca 0.09 0.04 0.05 0.00 -2.50 0.00 0.00 62.75 60.42 1usb n ILE 175 Cb 0.11 -0.59 0.29 0.00 0.54 0.00 0.00 39.64 39.99 1usb n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1usb h SER 176 N 0.00 0.80 -0.35 9.51 4.64 -1.58 -0.83 113.55 125.73 1usb h SER 176 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 1usb h SER 176 Cb 0.37 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 1usb h SER 176 CO 0.00 0.52 0.06 -1.54 -0.87 0.00 0.00 176.83 175.00 1usb n SER 177 N -4.48 3.57 -3.69 4.97 3.41 -1.26 -4.63 113.62 111.51 1usb n SER 177 Ca 0.12 -2.57 -0.28 0.00 -0.26 0.00 0.00 58.87 55.88 1usb n SER 177 Cb 0.19 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.41 1usb n SER 177 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1usb s PHE 178 N -1.94 2.53 0.21 7.33 0.08 -0.32 -4.98 117.98 120.90 1usb s PHE 178 Ca 0.30 -2.91 -0.07 0.00 0.12 0.00 0.00 56.93 54.37 1usb s PHE 178 Cb 0.23 -1.97 0.16 0.00 -0.57 0.00 0.00 43.02 40.87 1usb s PHE 178 CO 0.08 -0.67 1.77 -1.00 -0.10 0.00 0.00 175.22 175.30 1usb h PRO 179 N 5.55 1.17 -0.36 0.24 0.13 -1.82 -2.66 132.00 134.25 1usb h PRO 179 Ca 0.19 -0.23 -0.08 0.00 -0.87 0.00 0.00 66.00 65.01 1usb h PRO 179 Cb 0.82 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1usb h PRO 179 CO 0.57 0.97 -0.10 -0.07 -0.23 0.00 0.00 178.00 179.15 1usb h LEU 180 N 1.14 0.59 -0.58 1.56 3.38 -1.94 -2.10 115.31 117.35 1usb h LEU 180 Ca 0.25 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1usb h LEU 180 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1usb h LEU 180 CO -0.02 0.73 0.19 -0.07 0.09 0.00 0.00 178.44 179.36 1usb h LEU 181 N 0.56 0.84 -0.67 1.67 3.38 -1.90 -1.76 115.31 117.43 1usb h LEU 181 Ca 0.10 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1usb h LEU 181 Cb 0.50 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1usb h LEU 181 CO 0.03 0.82 0.42 0.11 0.09 0.00 0.00 178.44 179.91 1usb h LYS 182 N 0.81 0.82 -0.38 1.13 1.57 -1.12 -0.87 116.57 118.53 1usb h LYS 182 Ca 0.19 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1usb h LYS 182 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1usb h LYS 182 CO -0.01 0.54 -0.34 0.00 -0.57 0.00 0.00 179.45 179.07 1usb h ALA 183 N 1.28 0.68 -0.57 3.86 0.00 -1.23 -2.28 119.26 121.00 1usb h ALA 183 Ca 0.26 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1usb h ALA 183 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1usb h ALA 183 CO -0.09 0.67 0.36 1.25 0.00 0.00 0.00 179.25 181.44 1usb h LEU 184 N 0.72 0.62 -0.41 0.00 5.85 -1.03 0.95 115.31 122.00 1usb h LEU 184 Ca 0.07 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1usb h LEU 184 Cb 0.91 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1usb h LEU 184 CO 0.08 0.44 0.25 0.50 -0.34 0.00 0.00 178.44 179.37 1usb h LYS 185 N 0.74 0.49 -0.12 1.25 3.64 -0.95 0.05 116.57 121.67 1usb h LYS 185 Ca 0.22 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1usb h LYS 185 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1usb h LYS 185 CO -0.06 0.32 0.04 1.15 -2.27 0.00 0.00 179.45 178.63 1usb h THR 186 N 0.51 1.17 -0.50 1.00 2.02 -1.14 -0.87 112.91 115.10 1usb h THR 186 Ca 0.16 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.84 1usb h THR 186 Cb -0.00 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1usb h THR 186 CO -0.07 0.16 0.29 -0.09 0.37 0.00 0.00 175.52 176.17 1usb h ARG 187 N 0.01 0.55 -0.18 6.66 2.43 -0.48 -2.35 114.38 121.02 1usb h ARG 187 Ca 0.04 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.98 1usb h ARG 187 Cb 0.21 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1usb h ARG 187 CO -0.00 0.36 -0.66 0.82 -1.51 0.00 0.00 179.97 178.98 1usb h ILE 188 N 0.57 1.29 -0.12 1.20 1.08 -0.90 -2.29 117.51 118.33 1usb h ILE 188 Ca 0.20 -1.87 0.04 0.00 -0.39 0.00 0.00 64.86 62.84 1usb h ILE 188 Cb 0.04 1.92 -0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1usb h ILE 188 CO -0.10 0.59 0.19 0.28 -0.69 0.00 0.00 178.15 178.42 1usb h SER 189 N 0.50 0.00 0.32 1.72 0.02 -1.06 -2.29 113.55 112.76 1usb h SER 189 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1usb h SER 189 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1usb h SER 189 CO 0.14 0.00 -0.68 0.59 -1.14 0.00 0.00 176.83 175.74 1usb n ASN 190 N -3.53 0.68 -4.72 3.07 3.02 -0.88 -3.06 115.26 109.84 1usb n ASN 190 Ca 0.00 -0.52 -0.41 0.00 -0.03 0.00 0.00 54.58 53.63 1usb n ASN 190 Cb 0.29 0.52 0.01 0.00 -0.61 0.00 0.00 39.78 39.99 1usb n ASN 190 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1usb n LEU 191 N -1.50 4.33 -0.09 3.41 4.77 -0.86 -4.77 117.00 122.29 1usb n LEU 191 Ca 0.05 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.10 1usb n LEU 191 Cb 0.33 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1usb n LEU 191 CO 0.38 -0.45 0.79 -0.65 -1.33 0.00 0.00 177.39 176.14 1usb h PRO 192 N 2.24 -0.01 -0.72 3.23 0.11 -1.90 0.12 132.00 135.08 1usb h PRO 192 Ca -0.49 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1usb h PRO 192 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 1usb h PRO 192 CO 0.61 -0.01 0.34 1.79 -0.21 0.00 0.00 178.00 180.51 1usb h THR 193 N -0.01 1.24 -0.17 -1.15 1.35 -1.87 -2.29 112.91 110.01 1usb h THR 193 Ca 0.16 -0.68 -0.22 0.00 -0.55 0.00 0.00 66.41 65.13 1usb h THR 193 Cb 0.26 0.36 0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1usb h THR 193 CO -0.35 0.28 -0.75 0.58 -0.25 0.00 0.00 175.52 175.02 1usb h VAL 194 N 1.01 1.27 -0.89 6.82 2.07 -1.68 -2.22 116.25 122.63 1usb h VAL 194 Ca 0.25 -1.94 0.05 0.00 0.82 0.00 0.00 66.70 65.87 1usb h VAL 194 Cb 0.13 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 1usb h VAL 194 CO -0.03 0.62 0.57 0.50 0.02 0.00 0.00 177.57 179.24 1usb h LYS 195 N 0.56 1.03 -0.67 1.57 3.64 -0.67 0.34 116.57 122.37 1usb h LYS 195 Ca -0.05 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 1usb h LYS 195 Cb 1.38 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1usb h LYS 195 CO 0.16 0.68 0.19 -0.22 -2.27 0.00 0.00 179.45 178.00 1usb h LYS 196 N 1.06 1.04 -0.13 1.90 3.64 -1.36 -2.14 116.57 120.58 1usb h LYS 196 Ca 0.37 -0.22 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 1usb h LYS 196 Cb 0.09 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1usb h LYS 196 CO -0.15 0.90 -0.58 0.35 -2.27 0.00 0.00 179.45 177.70 1usb h PHE 197 N 1.00 0.54 0.00 1.91 3.57 -0.53 -2.74 116.94 120.69 1usb h PHE 197 Ca 0.22 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1usb h PHE 197 Cb 0.30 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1usb h PHE 197 CO 0.02 0.91 0.00 1.28 -2.23 0.00 0.00 178.31 178.29 1usb n LEU 198 N -3.92 0.62 -4.80 0.59 4.77 -0.03 -4.56 117.00 109.67 1usb n LEU 198 Ca -0.03 0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 56.20 1usb n LEU 198 Cb 0.62 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1usb n LEU 198 CO 0.46 -0.25 0.72 -1.10 -1.33 0.00 0.00 177.39 175.90 1usb s GLN 199 N -3.13 3.36 0.72 3.23 -0.21 -0.83 -5.00 119.66 117.80 1usb s GLN 199 Ca 0.09 1.28 -0.16 0.00 0.02 0.00 0.00 55.36 56.59 1usb s GLN 199 Cb 0.12 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 32.11 1usb s GLN 199 CO 0.52 -0.78 1.02 -2.30 -2.12 0.00 0.00 175.29 171.63 1usb n PRO 200 N -1.82 0.55 -0.79 2.91 -0.02 -1.26 -3.09 135.00 131.48 1usb n PRO 200 Ca 0.09 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1usb n PRO 200 Cb 0.53 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1usb n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1usb n GLY 201 N 1.03 0.74 3.97 -1.23 0.00 -1.26 -5.05 105.19 103.39 1usb n GLY 201 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 1usb n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1usb s SER 202 N -2.46 4.73 0.00 1.61 1.04 -1.18 -4.98 113.70 112.47 1usb s SER 202 Ca 0.00 -0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.54 1usb s SER 202 Cb 0.00 -0.58 0.63 0.00 0.10 0.00 0.00 66.02 66.16 1usb s SER 202 CO 0.00 -1.58 1.38 -2.65 0.98 0.00 0.00 173.24 171.37 1usb n PRO 203 N -2.72 0.11 -1.73 4.02 -0.02 -1.26 -4.81 135.00 128.60 1usb n PRO 203 Ca 0.11 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1usb n PRO 203 Cb 0.60 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.57 1usb n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1usb n ARG 204 N -1.37 2.42 -4.12 -0.52 0.63 -1.26 -4.98 116.66 107.46 1usb n ARG 204 Ca 0.05 0.85 -0.26 0.00 -0.92 0.00 0.00 57.85 57.57 1usb n ARG 204 Cb 0.13 -2.54 -0.06 0.00 0.45 0.00 0.00 32.46 30.44 1usb n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1usb s LYS 205 N -1.50 2.75 0.72 -0.14 -0.14 -1.26 -5.00 119.74 115.18 1usb s LYS 205 Ca 0.58 -0.94 -0.11 0.00 -1.36 0.00 0.00 55.97 54.13 1usb s LYS 205 Cb -0.53 -2.56 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1usb s LYS 205 CO 0.58 0.48 1.11 -1.25 -0.76 0.00 0.00 175.35 175.51 1usb s PRO 206 N -3.05 2.72 0.78 -1.68 0.04 -1.26 -4.86 135.00 127.69 1usb s PRO 206 Ca 0.30 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 1usb s PRO 206 Cb -0.10 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.50 1usb s PRO 206 CO 0.22 -1.12 1.19 -1.25 0.04 0.00 0.00 177.00 176.08 1usb s PRO 207 N -5.39 1.81 0.04 0.56 0.04 -1.26 -4.35 135.00 126.46 1usb s PRO 207 Ca 0.59 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1usb s PRO 207 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1usb s PRO 207 CO 0.51 -2.07 0.98 1.41 0.04 0.00 0.00 177.00 177.88 1usb s MET 208 N -4.14 4.60 0.48 4.56 1.75 -1.26 -5.02 119.30 120.27 1usb s MET 208 Ca 0.72 1.45 0.07 0.00 -1.25 0.00 0.00 55.69 56.68 1usb s MET 208 Cb -0.27 -3.42 0.01 0.00 2.84 0.00 0.00 34.83 33.98 1usb s MET 208 CO 0.49 0.03 0.41 0.16 -0.65 0.00 0.00 175.02 175.46 1usb s ASP 209 N 0.66 4.82 0.33 1.11 1.47 -1.26 -4.97 116.67 118.83 1usb s ASP 209 Ca 0.51 -0.99 0.09 0.00 1.18 0.00 0.00 52.55 53.33 1usb s ASP 209 Cb -0.22 -0.08 0.82 0.00 -0.34 0.00 0.00 42.92 43.09 1usb s ASP 209 CO 0.29 -0.89 1.80 -0.33 0.68 0.00 0.00 175.17 176.72 1usb h GLU 210 N 0.88 0.67 0.81 2.11 5.08 -2.00 -2.25 114.58 119.87 1usb h GLU 210 Ca -0.39 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1usb h GLU 210 Cb 1.28 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.39 1usb h GLU 210 CO 0.57 0.44 -0.39 0.87 -1.00 0.00 0.00 179.01 179.51 1usb h LYS 211 N 0.69 -1.04 0.00 2.33 1.57 -2.00 -3.07 116.57 115.04 1usb h LYS 211 Ca 0.55 0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.39 1usb h LYS 211 Cb 0.95 0.24 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1usb h LYS 211 CO -0.32 -0.70 -0.03 1.03 -0.57 0.00 0.00 179.45 178.86 1usb h SER 212 N -1.23 0.00 0.10 0.86 0.87 -1.87 -2.58 113.55 109.70 1usb h SER 212 Ca -0.11 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.32 1usb h SER 212 Cb 0.83 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1usb h SER 212 CO 0.18 0.03 -0.56 0.25 -0.53 0.00 0.00 176.83 176.20 1usb h LEU 213 N 0.00 0.33 -0.61 2.23 5.85 -1.50 -3.04 115.31 118.57 1usb h LEU 213 Ca -0.00 -0.96 -0.11 0.00 0.84 0.00 0.00 57.88 57.65 1usb h LEU 213 Cb 0.28 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1usb h LEU 213 CO 0.00 1.27 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.97 1usb h GLU 214 N -0.56 1.03 -0.68 1.25 5.08 -1.39 -2.53 114.58 116.78 1usb h GLU 214 Ca -0.10 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 57.84 1usb h GLU 214 Cb 1.44 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1usb h GLU 214 CO 0.11 1.05 0.16 1.49 -1.00 0.00 0.00 179.01 180.82 1usb h GLU 215 N 0.92 1.08 0.03 2.33 4.81 -1.63 -2.71 114.58 119.42 1usb h GLU 215 Ca 0.15 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1usb h GLU 215 Cb 0.63 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1usb h GLU 215 CO 0.04 0.96 -0.01 1.25 -0.73 0.00 0.00 179.01 180.52 1usb h HIS 216 N 1.03 -0.04 -0.57 0.92 2.76 -1.37 -2.68 115.15 115.20 1usb h HIS 216 Ca 0.22 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1usb h HIS 216 Cb 0.36 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 1usb h HIS 216 CO 0.03 0.03 0.38 0.00 -1.30 0.00 0.00 177.93 177.07 1usb h ARG 217 N -0.10 0.74 -0.26 5.26 3.08 -1.46 -2.77 114.38 118.87 1usb h ARG 217 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1usb h ARG 217 Cb 0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1usb h ARG 217 CO 0.01 0.49 0.09 0.87 -1.07 0.00 0.00 179.97 180.36 1usb h LYS 218 N 0.77 0.40 -0.00 0.04 1.57 -1.19 -3.26 116.57 114.89 1usb h LYS 218 Ca 0.21 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1usb h LYS 218 Cb -0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1usb h LYS 218 CO -0.05 0.46 -0.45 0.44 -0.57 0.00 0.00 179.45 179.28 1usb n ILE 219 N -4.75 0.00 0.00 1.86 -5.35 -1.04 -4.79 119.36 105.29 1usb n ILE 219 Ca -0.03 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1usb n ILE 219 Cb 0.15 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1usb n ILE 219 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1usb n PHE 220 N -1.44 0.00 0.00 4.28 3.01 -1.06 -3.73 117.46 118.52 1usb n PHE 220 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1usb n PHE 220 Cb 0.34 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1usb n PHE 220 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64