#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 0.58 0.35 0.00 2.56 -1.26 -5.17 118.70 115.76 1usb s GLU 3 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 54.97 55.13 1usb s GLU 3 Cb 0.00 0.22 -0.09 0.00 2.00 0.00 0.00 34.13 36.26 1usb s GLU 3 CO 0.00 -1.05 1.13 0.15 -0.56 0.00 0.00 175.26 174.93 1usb s LYS 4 N 2.70 4.34 0.46 4.30 1.02 -1.26 -4.87 119.74 126.43 1usb s LYS 4 Ca 0.11 1.80 -0.25 0.00 0.02 0.00 0.00 55.97 57.65 1usb s LYS 4 Cb -0.09 -2.89 -0.08 0.00 -0.52 0.00 0.00 37.83 34.25 1usb s LYS 4 CO -0.23 -0.06 1.39 -2.30 -0.92 0.00 0.00 175.35 173.23 1usb n PRO 5 N 0.56 2.11 -3.99 -1.68 -0.02 -1.26 -4.84 135.00 125.88 1usb n PRO 5 Ca 0.02 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.91 1usb n PRO 5 Cb 0.46 -2.58 -0.15 0.00 -0.02 0.00 0.00 33.50 31.21 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 -2.47 3.08 -0.23 -0.52 1.02 -0.53 -2.02 119.74 118.08 1usb s LYS 6 Ca 0.63 -0.80 -0.15 0.00 0.02 0.00 0.00 55.97 55.66 1usb s LYS 6 Cb -0.45 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1usb s LYS 6 CO 0.56 -0.26 0.38 -0.51 -0.92 0.00 0.00 175.35 174.60 1usb s LEU 7 N 1.37 4.11 -0.39 3.17 1.43 -0.20 -0.99 118.68 127.17 1usb s LEU 7 Ca 0.04 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 1usb s LEU 7 Cb -0.15 -2.47 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1usb s LEU 7 CO -0.07 -0.11 0.25 -1.00 0.23 0.00 0.00 176.35 175.65 1usb s HIS 8 N 1.56 3.24 0.37 0.29 3.76 0.01 -1.12 115.29 123.40 1usb s HIS 8 Ca 0.17 -0.82 -0.14 0.00 -0.15 0.00 0.00 55.06 54.12 1usb s HIS 8 Cb -0.15 -2.52 0.06 0.00 1.11 0.00 0.00 32.58 31.07 1usb s HIS 8 CO 0.08 -0.63 0.75 0.98 -0.85 0.00 0.00 174.74 175.07 1usb n TYR 9 N 5.07 -2.27 -1.79 1.40 9.36 -1.24 -2.57 117.16 125.13 1usb n TYR 9 Ca -0.11 -1.73 -0.30 0.00 3.32 0.00 0.00 57.90 59.08 1usb n TYR 9 Cb 0.46 0.87 0.07 0.00 -0.63 0.00 0.00 39.34 40.10 1usb n TYR 9 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1usb s PHE 10 N -2.59 3.12 -1.34 2.98 0.40 -1.26 -0.47 117.98 118.81 1usb s PHE 10 Ca 0.15 1.03 -0.17 0.00 -0.60 0.00 0.00 56.93 57.34 1usb s PHE 10 Cb -0.05 -3.15 0.05 0.00 0.51 0.00 0.00 43.02 40.38 1usb s PHE 10 CO 0.11 -1.45 1.94 -1.71 0.70 0.00 0.00 175.22 174.81 1usb n ASN 11 N -3.19 4.39 -3.72 1.36 2.85 -1.26 -4.81 115.26 110.88 1usb n ASN 11 Ca 0.07 -2.87 -0.05 0.00 -0.11 0.00 0.00 54.58 51.62 1usb n ASN 11 Cb 0.57 -1.70 -0.02 0.00 1.24 0.00 0.00 39.78 39.88 1usb n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1usb s ALA 12 N 4.13 -1.61 0.00 5.20 0.00 -1.26 -5.05 121.76 123.17 1usb s ALA 12 Ca 0.52 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1usb s ALA 12 Cb 0.08 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1usb s ALA 12 CO 0.02 -0.98 0.89 0.54 0.00 0.00 0.00 175.76 176.23 1usb n ARG 13 N -0.43 0.00 0.00 0.00 1.74 -1.26 -4.78 116.66 111.93 1usb n ARG 13 Ca -0.07 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1usb n ARG 13 Cb 0.61 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 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 -0.86 1.76 0.34 -0.13 0.00 -1.26 -2.03 105.19 103.01 1usb n GLY 14 Ca 0.00 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.25 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 10.19 1.43 -0.00 1.61 1.74 -1.26 -3.82 116.66 126.54 1usb n ARG 15 Ca 0.00 -0.69 0.10 0.00 -0.77 0.00 0.00 57.85 56.49 1usb n ARG 15 Cb 0.00 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 29.84 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 -0.18 0.32 -0.12 5.56 1.56 -0.86 -4.62 117.12 118.78 1usb n MET 16 Ca 0.20 -0.01 -0.08 0.00 -0.27 0.00 0.00 57.70 57.53 1usb n MET 16 Cb 0.30 -1.46 0.07 0.00 2.15 0.00 0.00 33.22 34.28 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 0.86 0.00 2.12 4.57 -1.52 -2.37 114.58 118.24 1usb h GLU 17 Ca 0.00 -0.33 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 1usb h GLU 17 Cb 0.51 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1usb h GLU 17 CO 0.00 0.96 -0.13 0.66 -1.18 0.00 0.00 179.01 179.32 1usb h SER 18 N 0.76 0.00 -0.15 1.04 4.64 -1.85 -1.24 113.55 116.75 1usb h SER 18 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.28 1usb h SER 18 Cb 0.69 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.79 1usb h SER 18 CO 0.05 0.13 -0.50 0.74 -0.87 0.00 0.00 176.83 176.38 1usb h THR 19 N 0.00 1.34 -0.53 2.95 2.02 -1.73 -1.94 112.91 115.02 1usb h THR 19 Ca -0.00 -1.77 0.02 0.00 0.77 0.00 0.00 66.41 65.43 1usb h THR 19 Cb 0.24 2.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1usb h THR 19 CO 0.02 0.54 0.32 0.03 0.37 0.00 0.00 175.52 176.80 1usb h ARG 20 N 0.24 0.61 -0.52 6.66 3.08 -1.07 -1.25 114.38 122.13 1usb h ARG 20 Ca -0.02 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1usb h ARG 20 Cb 1.12 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 1usb h ARG 20 CO 0.11 0.41 0.31 -1.49 -1.07 0.00 0.00 179.97 178.23 1usb h TRP 21 N 0.63 0.70 -0.15 3.04 4.06 -1.24 -0.75 115.95 122.25 1usb h TRP 21 Ca 0.21 -0.01 -0.04 0.00 2.06 0.00 0.00 58.89 61.12 1usb h TRP 21 Cb 0.02 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 27.95 1usb h TRP 21 CO -0.06 0.49 -0.05 1.25 -3.56 0.00 0.00 178.44 176.50 1usb h LEU 22 N 0.70 0.30 -0.54 -4.49 5.85 -1.09 -0.34 115.31 115.71 1usb h LEU 22 Ca 0.19 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1usb h LEU 22 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1usb h LEU 22 CO -0.03 0.63 0.25 -0.07 -0.34 0.00 0.00 178.44 178.87 1usb h LEU 23 N -0.02 0.71 -0.49 2.25 3.38 -1.21 -1.33 115.31 118.60 1usb h LEU 23 Ca 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1usb h LEU 23 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1usb h LEU 23 CO 0.02 0.65 0.20 0.00 0.09 0.00 0.00 178.44 179.40 1usb h ALA 24 N 1.09 0.63 -0.60 1.53 0.00 -1.09 -1.64 119.26 119.18 1usb h ALA 24 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1usb h ALA 24 Cb 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1usb h ALA 24 CO -0.02 0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.78 1usb h ALA 25 N 1.04 1.42 0.00 0.00 0.00 -0.84 -2.19 119.26 118.69 1usb h ALA 25 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1usb h ALA 25 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1usb h ALA 25 CO -0.01 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1usb n ALA 26 N -2.45 2.05 -0.43 0.00 0.00 -0.52 -4.76 120.51 114.41 1usb n ALA 26 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1usb n ALA 26 Cb 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.87 0.74 3.56 0.00 0.00 -0.82 -5.05 105.19 104.48 1usb n GLY 27 Ca 0.05 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 4.95 0.17 1.61 1.01 -0.65 -5.03 120.40 120.46 1usb s VAL 28 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1usb s VAL 28 Cb 0.00 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1usb s VAL 28 CO 0.00 0.31 0.91 -1.61 0.00 0.00 0.00 175.10 174.70 1usb s GLU 29 N 1.51 4.73 0.13 2.72 2.02 -1.26 -4.28 118.70 124.26 1usb s GLU 29 Ca 0.07 1.39 -0.00 0.00 0.02 0.00 0.00 54.97 56.44 1usb s GLU 29 Cb -0.15 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 1usb s GLU 29 CO 0.07 0.40 0.03 -0.59 0.02 0.00 0.00 175.26 175.19 1usb s PHE 30 N -0.67 0.87 0.14 1.61 -0.12 -1.26 -4.35 117.98 114.20 1usb s PHE 30 Ca 0.42 -1.16 0.07 0.00 -0.05 0.00 0.00 56.93 56.21 1usb s PHE 30 Cb -0.24 -0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 1usb s PHE 30 CO 0.30 -0.43 -0.05 -1.21 -0.05 0.00 0.00 175.22 173.78 1usb s GLU 31 N -4.00 2.29 -0.06 1.99 2.02 -0.86 -5.02 118.70 115.07 1usb s GLU 31 Ca 0.21 -1.06 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1usb s GLU 31 Cb 0.07 -2.34 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1usb s GLU 31 CO 0.00 0.48 -0.17 -1.21 0.02 0.00 0.00 175.26 174.38 1usb s GLU 32 N -2.59 1.97 -0.34 1.61 2.02 -1.26 -1.04 118.70 119.07 1usb s GLU 32 Ca 0.25 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.63 1usb s GLU 32 Cb -0.10 -1.64 0.08 0.00 0.10 0.00 0.00 34.13 32.57 1usb s GLU 32 CO 0.17 0.18 0.07 0.15 0.02 0.00 0.00 175.26 175.85 1usb s LYS 33 N 0.25 2.03 0.08 1.61 -0.14 -0.27 -4.93 119.74 118.36 1usb s LYS 33 Ca -0.09 -1.62 -0.28 0.00 -1.36 0.00 0.00 55.97 52.62 1usb s LYS 33 Cb -0.14 -3.30 -0.06 0.00 -1.68 0.00 0.00 37.83 32.66 1usb s LYS 33 CO 0.04 -0.85 0.88 -0.06 -0.76 0.00 0.00 175.35 174.60 1usb s PHE 34 N 1.11 3.78 -0.18 3.18 0.08 -1.26 -3.62 117.98 121.07 1usb s PHE 34 Ca 0.03 1.67 -0.26 0.00 0.12 0.00 0.00 56.93 58.49 1usb s PHE 34 Cb -0.21 -2.96 -0.01 0.00 -0.57 0.00 0.00 43.02 39.27 1usb s PHE 34 CO -0.04 0.23 0.85 0.42 -0.10 0.00 0.00 175.22 176.58 1usb s ILE 35 N -0.01 4.86 -0.03 0.64 1.01 0.38 -4.93 121.20 123.12 1usb s ILE 35 Ca 0.44 1.66 0.09 0.00 0.00 0.00 0.00 60.65 62.84 1usb s ILE 35 Cb -0.22 -4.15 -0.14 0.00 0.01 0.00 0.00 42.46 37.96 1usb s ILE 35 CO 0.27 -0.00 0.17 0.29 0.00 0.00 0.00 174.94 175.67 1usb n LYS 36 N 5.39 0.81 -4.03 2.79 4.76 -1.26 -4.48 118.16 122.15 1usb n LYS 36 Ca 0.05 -0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.33 1usb n LYS 36 Cb 0.48 -1.23 -0.08 0.00 -1.84 0.00 0.00 35.03 32.36 1usb n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1usb s SER 37 N -3.36 0.17 0.54 4.39 1.04 -1.26 -4.97 113.70 110.26 1usb s SER 37 Ca -0.04 -0.98 0.31 0.00 0.48 0.00 0.00 55.95 55.72 1usb s SER 37 Cb 0.05 0.36 1.48 0.00 0.10 0.00 0.00 66.02 68.02 1usb s SER 37 CO 0.40 -0.80 1.89 0.00 0.98 0.00 0.00 173.24 175.70 1usb h ALA 38 N 2.71 2.78 -0.00 5.32 0.00 -1.80 -1.48 119.26 126.79 1usb h ALA 38 Ca -0.33 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1usb h ALA 38 Cb 1.21 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1usb h ALA 38 CO 0.54 -1.07 -0.76 0.93 0.00 0.00 0.00 179.25 178.89 1usb h GLU 39 N 0.00 0.06 -0.23 0.00 5.08 -1.94 -1.19 114.58 116.35 1usb h GLU 39 Ca 0.40 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.51 1usb h GLU 39 Cb 1.66 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1usb h GLU 39 CO -0.00 0.79 -0.63 -0.44 -1.00 0.00 0.00 179.01 177.73 1usb h ASP 40 N 0.03 0.91 -0.64 1.42 3.32 -1.66 -2.58 116.42 117.22 1usb h ASP 40 Ca -0.01 -0.53 -0.07 0.00 0.02 0.00 0.00 57.03 56.44 1usb h ASP 40 Cb 1.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 1usb h ASP 40 CO 0.10 1.32 0.12 0.25 -1.72 0.00 0.00 179.24 179.31 1usb h LEU 41 N 0.59 1.01 -0.93 1.55 5.85 -1.43 -2.00 115.31 119.95 1usb h LEU 41 Ca -0.01 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 1usb h LEU 41 Cb 1.23 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1usb h LEU 41 CO 0.13 1.00 0.55 0.44 -0.34 0.00 0.00 178.44 180.22 1usb h ASP 42 N 0.97 1.13 -0.13 1.25 3.32 -1.24 -0.61 116.42 121.11 1usb h ASP 42 Ca 0.20 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1usb h ASP 42 Cb 0.42 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1usb h ASP 42 CO 0.01 0.88 0.07 0.50 -1.72 0.00 0.00 179.24 178.98 1usb h LYS 43 N 1.29 0.19 -0.43 3.56 3.64 -1.15 -0.48 116.57 123.18 1usb h LYS 43 Ca 0.33 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1usb h LYS 43 Cb -0.03 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 1usb h LYS 43 CO -0.06 0.22 0.07 -0.07 -2.27 0.00 0.00 179.45 177.35 1usb h LEU 44 N 0.10 -0.03 0.29 5.20 3.38 -0.81 -0.15 115.31 123.30 1usb h LEU 44 Ca 0.05 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1usb h LEU 44 Cb 0.10 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1usb h LEU 44 CO -0.01 0.02 -0.24 0.03 0.09 0.00 0.00 178.44 178.33 1usb h ARG 45 N 0.20 -0.52 -0.04 1.13 3.08 -0.97 -2.33 114.38 114.92 1usb h ARG 45 Ca 0.21 0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.23 1usb h ARG 45 Cb 0.27 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1usb h ARG 45 CO -0.29 -0.35 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.08 1usb h ASN 46 N -0.54 0.07 0.00 7.04 2.35 -0.74 -0.61 115.58 123.15 1usb h ASN 46 Ca -0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1usb h ASN 46 Cb 0.48 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1usb h ASN 46 CO -0.02 0.34 0.00 0.47 -1.65 0.00 0.00 177.43 176.57 1usb n ASP 47 N -4.19 0.00 -1.07 5.81 9.92 -0.10 -4.90 116.55 122.02 1usb n ASP 47 Ca -0.02 -1.48 -0.11 0.00 -0.53 0.00 0.00 54.79 52.65 1usb n ASP 47 Cb 0.34 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.79 1usb n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1usb n GLY 48 N 0.64 0.49 0.17 0.44 0.00 -0.24 -4.93 105.19 101.76 1usb n GLY 48 Ca 0.10 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1usb n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1usb h TYR 49 N 0.00 0.00 -3.58 1.61 -1.99 -1.59 -3.45 116.97 107.97 1usb h TYR 49 Ca -0.24 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.85 1usb h TYR 49 Cb 0.98 0.00 -0.37 0.00 2.00 0.00 0.00 36.73 39.34 1usb h TYR 49 CO 0.30 0.25 -0.81 -0.51 -0.00 0.00 0.00 178.16 177.39 1usb s LEU 50 N -6.26 2.71 0.28 3.88 1.43 -1.26 -4.87 118.68 114.59 1usb s LEU 50 Ca 0.05 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.04 1usb s LEU 50 Cb 0.07 -1.35 0.40 0.00 0.03 0.00 0.00 46.19 45.34 1usb s LEU 50 CO 0.72 -0.17 1.82 -0.03 0.23 0.00 0.00 176.35 178.92 1usb h MET 51 N 7.90 0.82 -0.16 1.70 1.85 -1.87 -2.42 114.93 122.74 1usb h MET 51 Ca -0.24 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 1usb h MET 51 Cb 1.08 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.99 1usb h MET 51 CO 0.47 0.75 0.00 1.19 -0.40 0.00 0.00 176.91 178.92 1usb n PHE 52 N -4.27 0.58 -1.90 1.39 3.72 -1.26 -4.96 117.46 110.76 1usb n PHE 52 Ca 0.04 -0.91 -0.12 0.00 -0.05 0.00 0.00 57.45 56.40 1usb n PHE 52 Cb 0.23 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.84 -0.91 -4.19 -1.08 6.02 -0.91 -4.99 117.38 110.48 1usb n GLN 53 Ca 0.19 0.71 -0.14 0.00 -0.01 0.00 0.00 57.00 57.75 1usb n GLN 53 Cb 0.79 -4.82 -0.11 0.00 1.02 0.00 0.00 30.24 27.13 1usb n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1usb s GLN 54 N -4.01 0.88 0.27 -1.09 -0.21 -1.26 -5.05 119.66 109.18 1usb s GLN 54 Ca 0.00 -1.24 0.09 0.00 0.02 0.00 0.00 55.36 54.23 1usb s GLN 54 Cb 0.00 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.47 1usb s GLN 54 CO 0.00 0.06 0.03 0.14 -2.12 0.00 0.00 175.29 173.40 1usb s VAL 55 N -2.79 3.55 0.50 1.09 -7.23 -1.26 -4.62 120.40 109.64 1usb s VAL 55 Ca 0.08 -1.84 -0.23 0.00 -1.81 0.00 0.00 61.98 58.18 1usb s VAL 55 Cb -0.01 -2.92 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 1usb s VAL 55 CO -0.01 -0.36 1.40 -2.84 -0.31 0.00 0.00 175.10 172.98 1usb s PRO 56 N -3.70 3.38 -0.01 4.82 0.02 -1.26 -4.98 135.00 133.26 1usb s PRO 56 Ca 0.32 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.70 1usb s PRO 56 Cb -0.06 -2.44 -0.00 0.00 0.02 0.00 0.00 34.50 32.01 1usb s PRO 56 CO 0.21 -1.03 -0.08 1.41 -0.33 0.00 0.00 177.00 177.17 1usb s MET 57 N -2.70 0.68 -0.10 5.54 1.75 -1.06 -3.83 119.30 119.58 1usb s MET 57 Ca 0.67 -0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.84 1usb s MET 57 Cb -0.42 -0.66 0.02 0.00 2.84 0.00 0.00 34.83 36.60 1usb s MET 57 CO 0.52 0.16 -0.13 0.08 -0.65 0.00 0.00 175.02 174.99 1usb s VAL 58 N -0.11 1.34 -0.33 10.11 1.01 0.45 -0.81 120.40 132.06 1usb s VAL 58 Ca 0.02 -0.56 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1usb s VAL 58 Cb -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1usb s VAL 58 CO -0.00 0.41 0.77 -1.61 0.00 0.00 0.00 175.10 174.67 1usb s GLU 59 N 0.98 3.85 -0.17 2.72 2.02 -0.16 -0.94 118.70 127.00 1usb s GLU 59 Ca -0.08 0.42 -0.10 0.00 0.02 0.00 0.00 54.97 55.23 1usb s GLU 59 Cb -0.15 -3.77 0.06 0.00 0.10 0.00 0.00 34.13 30.37 1usb s GLU 59 CO -0.01 -0.75 0.41 -1.50 0.02 0.00 0.00 175.26 173.43 1usb s ILE 60 N 2.99 -0.02 -1.44 -1.63 2.07 -0.87 -1.45 121.20 120.85 1usb s ILE 60 Ca 0.31 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.61 1usb s ILE 60 Cb -0.14 -0.60 0.02 0.00 0.13 0.00 0.00 42.46 41.87 1usb s ILE 60 CO 0.15 0.03 0.46 0.47 -1.91 0.00 0.00 174.94 174.14 1usb n ASP 61 N 4.09 -0.66 0.00 4.50 8.00 -1.26 -1.35 116.55 129.86 1usb n ASP 61 Ca -0.22 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.27 1usb n ASP 61 Cb 0.55 -3.03 0.00 0.00 -0.02 0.00 0.00 41.12 38.63 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 -1.93 1.10 3.70 0.44 0.00 -1.26 -5.00 105.19 102.23 1usb n GLY 62 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.01 2.47 -0.47 1.61 -1.94 -0.46 -5.08 119.30 115.41 1usb s MET 63 Ca 0.00 -1.33 0.04 0.00 -1.71 0.00 0.00 55.69 52.68 1usb s MET 63 Cb 0.00 -2.27 0.12 0.00 2.01 0.00 0.00 34.83 34.69 1usb s MET 63 CO 0.00 0.35 0.21 0.15 -0.01 0.00 0.00 175.02 175.72 1usb s LYS 64 N -3.74 1.79 -0.14 2.03 1.02 -1.26 -2.04 119.74 117.40 1usb s LYS 64 Ca 0.32 -2.38 -0.17 0.00 0.02 0.00 0.00 55.97 53.76 1usb s LYS 64 Cb -0.06 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1usb s LYS 64 CO 0.21 -1.07 0.43 -0.51 -0.92 0.00 0.00 175.35 173.50 1usb s LEU 65 N 0.06 4.24 0.51 3.17 1.43 -0.12 -4.88 118.68 123.10 1usb s LEU 65 Ca 0.15 0.70 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 1usb s LEU 65 Cb -0.24 -2.61 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1usb s LEU 65 CO -0.02 -0.01 0.15 0.68 0.23 0.00 0.00 176.35 177.38 1usb s VAL 66 N 0.78 1.42 0.02 -1.59 -7.23 -1.26 -0.41 120.40 112.13 1usb s VAL 66 Ca 0.23 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 1usb s VAL 66 Cb -0.15 -2.23 0.00 0.00 0.56 0.00 0.00 36.38 34.56 1usb s VAL 66 CO 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.88 1usb n GLN 67 N -1.43 -1.72 -0.29 4.82 1.13 -1.25 -4.46 117.38 114.18 1usb n GLN 67 Ca -0.12 1.58 -0.01 0.00 -1.94 0.00 0.00 57.00 56.51 1usb n GLN 67 Cb 0.66 -1.75 0.05 0.00 0.11 0.00 0.00 30.24 29.31 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 1.39 0.11 -0.35 5.09 2.02 -1.90 -1.54 112.91 117.73 1usb h THR 68 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1usb h THR 68 Cb 0.00 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1usb h THR 68 CO 0.00 0.00 0.01 0.03 0.37 0.00 0.00 175.52 175.93 1usb h ARG 69 N -0.06 0.54 -0.33 6.66 3.08 -1.97 -0.27 114.38 122.03 1usb h ARG 69 Ca 0.33 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1usb h ARG 69 Cb 0.59 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1usb h ARG 69 CO -0.84 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 178.61 1usb h ALA 70 N 1.50 0.45 0.16 0.04 0.00 -1.56 0.06 119.26 119.91 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 0.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1usb h ALA 70 CO 0.01 0.21 -0.15 0.82 0.00 0.00 0.00 179.25 180.13 1usb h ILE 71 N 0.40 0.66 -0.63 0.00 2.04 -0.95 -1.76 117.51 117.27 1usb h ILE 71 Ca 0.09 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.94 1usb h ILE 71 Cb 0.45 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1usb h ILE 71 CO 0.02 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.43 1usb h LEU 72 N -0.34 0.79 -0.48 1.44 3.38 -1.03 -1.25 115.31 117.83 1usb h LEU 72 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1usb h LEU 72 Cb 0.32 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1usb h LEU 72 CO -0.04 0.67 0.25 0.78 0.09 0.00 0.00 178.44 180.19 1usb h ASN 73 N 0.86 0.60 -0.15 -0.43 2.35 -0.90 -0.52 115.58 117.39 1usb h ASN 73 Ca 0.22 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1usb h ASN 73 Cb 0.06 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1usb h ASN 73 CO -0.03 0.54 0.05 0.22 -1.65 0.00 0.00 177.43 176.56 1usb h TYR 74 N 0.63 0.23 -0.30 1.19 3.20 -1.04 -2.29 116.97 118.59 1usb h TYR 74 Ca 0.17 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1usb h TYR 74 Cb 0.08 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 1usb h TYR 74 CO -0.02 0.32 0.14 0.82 -1.64 0.00 0.00 178.16 177.79 1usb h ILE 75 N 0.07 0.99 -0.18 1.81 2.04 -1.13 -1.13 117.51 119.98 1usb h ILE 75 Ca 0.05 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1usb h ILE 75 Cb 0.19 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1usb h ILE 75 CO -0.00 0.06 0.01 0.00 0.00 0.00 0.00 178.15 178.21 1usb h ALA 76 N 1.15 0.16 -0.43 1.87 0.00 -1.06 -1.62 119.26 119.33 1usb h ALA 76 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1usb h ALA 76 Cb 0.04 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1usb h ALA 76 CO -0.09 -0.43 0.24 0.77 0.00 0.00 0.00 179.25 179.74 1usb h SER 77 N 0.07 0.53 -0.76 0.00 0.02 -1.25 0.11 113.55 112.27 1usb h SER 77 Ca 0.08 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1usb h SER 77 Cb 0.10 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1usb h SER 77 CO -0.13 0.46 0.37 0.50 -1.14 0.00 0.00 176.83 176.88 1usb h LYS 78 N 0.56 1.10 -0.50 3.45 3.64 -0.86 -2.64 116.57 121.31 1usb h LYS 78 Ca 0.15 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1usb h LYS 78 Cb 0.04 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1usb h LYS 78 CO -0.03 0.85 0.06 0.66 -2.27 0.00 0.00 179.45 178.72 1usb n TYR 79 N -4.32 1.76 -3.68 1.91 4.01 -0.64 -4.95 117.16 111.24 1usb n TYR 79 Ca 0.07 -0.93 -0.25 0.00 -0.16 0.00 0.00 57.90 56.63 1usb n TYR 79 Cb 0.14 -0.49 0.06 0.00 -0.31 0.00 0.00 39.34 38.74 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 -0.02 -5.64 -0.80 7.72 3.02 -0.90 -4.89 115.26 113.75 1usb n ASN 80 Ca 0.29 -0.62 0.08 0.00 -0.03 0.00 0.00 54.58 54.31 1usb n ASN 80 Cb 1.14 -4.71 0.24 0.00 -0.61 0.00 0.00 39.78 35.84 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 -4.87 3.68 -0.47 3.41 4.77 0.33 -4.56 117.00 119.30 1usb n LEU 81 Ca -0.00 -2.93 0.07 0.00 -0.03 0.00 0.00 56.01 53.12 1usb n LEU 81 Cb 0.56 -0.51 0.16 0.00 -2.33 0.00 0.00 43.42 41.30 1usb n LEU 81 CO 0.68 0.68 0.41 0.00 -1.33 0.00 0.00 177.39 177.83 1usb n TYR 82 N -0.49 0.00 -2.92 -1.77 4.19 -1.21 -0.68 117.16 114.27 1usb n TYR 82 Ca 0.20 -1.15 0.02 0.00 3.31 0.00 0.00 57.90 60.28 1usb n TYR 82 Cb 0.83 -0.19 -0.00 0.00 0.49 0.00 0.00 39.34 40.46 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 -1.05 -1.93 0.01 2.98 0.00 -1.26 -4.24 105.19 99.70 1usb n GLY 83 Ca 0.16 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.91 1usb n GLY 83 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1usb n LYS 84 N -0.97 0.64 -3.81 1.61 3.00 -1.26 -4.93 118.16 112.44 1usb n LYS 84 Ca 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 58.31 58.08 1usb n LYS 84 Cb 0.06 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.68 1usb n LYS 84 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1usb s ASP 85 N -3.91 0.02 0.20 3.14 1.47 -1.26 -5.04 116.67 111.28 1usb s ASP 85 Ca -0.04 -1.17 -0.10 0.00 1.18 0.00 0.00 52.55 52.42 1usb s ASP 85 Cb 0.12 0.86 0.23 0.00 -0.34 0.00 0.00 42.92 43.79 1usb s ASP 85 CO 0.78 -1.70 1.79 -0.29 0.68 0.00 0.00 175.17 176.43 1usb h ILE 86 N 2.00 0.92 -0.76 2.11 2.10 -1.96 -1.44 117.51 120.49 1usb h ILE 86 Ca -0.33 -0.20 -0.06 0.00 1.08 0.00 0.00 64.86 65.36 1usb h ILE 86 Cb 1.25 0.29 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 1usb h ILE 86 CO 0.41 0.11 0.26 0.11 -1.08 0.00 0.00 178.15 177.95 1usb h LYS 87 N 0.58 1.17 -0.32 2.19 1.57 -2.00 -1.65 116.57 118.12 1usb h LYS 87 Ca 0.28 -0.24 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 1usb h LYS 87 Cb 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1usb h LYS 87 CO -0.20 0.98 -0.34 0.93 -0.57 0.00 0.00 179.45 180.25 1usb h GLU 88 N 1.13 0.79 -0.85 3.15 5.08 -1.89 -2.80 114.58 119.19 1usb h GLU 88 Ca 0.25 -0.43 0.16 0.00 -1.00 0.00 0.00 59.36 58.34 1usb h GLU 88 Cb 0.28 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.45 1usb h GLU 88 CO -0.01 1.06 0.41 0.00 -1.00 0.00 0.00 179.01 179.47 1usb h ARG 89 N 0.57 0.54 -0.66 2.33 3.08 -1.16 -1.47 114.38 117.61 1usb h ARG 89 Ca 0.05 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1usb h ARG 89 Cb 0.93 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 1usb h ARG 89 CO 0.08 0.36 0.40 0.00 -1.07 0.00 0.00 179.97 179.74 1usb h ALA 90 N 1.59 0.84 -0.18 0.04 0.00 -1.11 0.34 119.26 120.78 1usb h ALA 90 Ca 0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1usb h ALA 90 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1usb h ALA 90 CO -0.40 0.32 0.06 -0.07 0.00 0.00 0.00 179.25 179.15 1usb h LEU 91 N 0.90 0.26 -0.34 0.00 3.38 -1.19 -0.55 115.31 117.76 1usb h LEU 91 Ca 0.24 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1usb h LEU 91 Cb -0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1usb h LEU 91 CO -0.04 0.38 0.17 0.40 0.09 0.00 0.00 178.44 179.44 1usb h ILE 92 N 0.11 0.99 -0.85 1.22 2.04 -1.07 -0.19 117.51 119.75 1usb h ILE 92 Ca 0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1usb h ILE 92 Cb 0.22 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1usb h ILE 92 CO -0.00 0.07 0.49 0.44 0.00 0.00 0.00 178.15 179.15 1usb h ASP 93 N 0.36 1.04 -0.29 1.72 3.32 -0.20 0.20 116.42 122.57 1usb h ASP 93 Ca 0.14 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1usb h ASP 93 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1usb h ASP 93 CO -0.10 0.82 0.12 -0.03 -1.72 0.00 0.00 179.24 178.33 1usb h MET 94 N 1.18 0.43 -0.24 3.56 4.05 -0.54 -1.30 114.93 122.07 1usb h MET 94 Ca 0.30 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.61 1usb h MET 94 Cb -0.01 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 1usb h MET 94 CO -0.05 0.44 -0.00 1.88 0.23 0.00 0.00 176.91 179.41 1usb h TYR 95 N 0.32 0.46 0.00 1.39 0.05 -0.50 -1.99 116.97 116.70 1usb h TYR 95 Ca 0.10 -0.08 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1usb h TYR 95 Cb 0.17 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1usb h TYR 95 CO -0.01 0.60 -0.26 -0.84 -1.05 0.00 0.00 178.16 176.60 1usb h ILE 96 N 0.20 1.05 -0.04 -2.88 3.07 -0.55 -1.64 117.51 116.72 1usb h ILE 96 Ca 0.07 -0.95 -0.17 0.00 1.55 0.00 0.00 64.86 65.36 1usb h ILE 96 Cb 0.41 1.53 -0.01 0.00 -0.27 0.00 0.00 36.82 38.49 1usb h ILE 96 CO 0.01 0.26 -0.74 -0.33 -1.05 0.00 0.00 178.15 176.30 1usb h GLU 97 N 0.00 0.22 -0.38 0.16 4.39 -0.99 0.19 114.58 118.17 1usb h GLU 97 Ca -0.00 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1usb h GLU 97 Cb 0.51 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1usb h GLU 97 CO 0.03 0.86 0.13 0.78 -1.16 0.00 0.00 179.01 179.66 1usb h GLY 98 N 1.64 0.63 1.00 -3.84 0.00 -1.05 -1.51 103.07 99.95 1usb h GLY 98 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1usb h GLY 98 CO 0.11 0.34 0.22 -2.22 0.00 0.00 0.00 176.54 174.99 1usb h ILE 99 N 0.47 1.09 -0.48 2.60 2.04 -1.03 -2.44 117.51 119.76 1usb h ILE 99 Ca 0.12 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1usb h ILE 99 Cb 0.24 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1usb h ILE 99 CO -0.01 0.09 0.19 0.00 0.00 0.00 0.00 178.15 178.42 1usb h ALA 100 N 1.12 0.60 -0.39 1.87 0.00 -0.55 0.14 119.26 122.04 1usb h ALA 100 Ca 0.12 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1usb h ALA 100 Cb -0.04 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1usb h ALA 100 CO -0.03 -0.19 0.06 -0.44 0.00 0.00 0.00 179.25 178.66 1usb h ASP 101 N 0.38 -0.02 -0.22 0.00 3.32 -0.95 0.42 116.42 119.36 1usb h ASP 101 Ca 0.23 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 1usb h ASP 101 Cb 0.21 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1usb h ASP 101 CO -0.21 0.03 -0.40 0.25 -1.72 0.00 0.00 179.24 177.18 1usb h LEU 102 N 0.19 0.72 -1.14 1.55 5.85 -1.13 -2.53 115.31 118.82 1usb h LEU 102 Ca 0.19 -0.54 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1usb h LEU 102 Cb 0.23 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1usb h LEU 102 CO -0.26 1.13 0.26 1.23 -0.34 0.00 0.00 178.44 180.46 1usb h GLY 103 N 0.35 0.92 0.99 3.75 0.00 -0.52 -2.26 103.07 106.30 1usb h GLY 103 Ca 0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1usb h GLY 103 CO 0.09 0.43 -0.18 -2.09 0.00 0.00 0.00 176.54 174.79 1usb h GLU 104 N 0.85 0.76 -0.59 4.80 4.57 -0.02 0.03 114.58 124.98 1usb h GLU 104 Ca 0.21 -0.33 0.11 0.00 -1.18 0.00 0.00 59.36 58.16 1usb h GLU 104 Cb 0.14 -0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.62 1usb h GLU 104 CO -0.02 0.95 0.12 0.52 -1.18 0.00 0.00 179.01 179.40 1usb h MET 105 N 0.55 0.25 -0.32 1.92 2.86 -1.19 0.65 114.93 119.66 1usb h MET 105 Ca 0.08 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.53 1usb h MET 105 Cb 0.72 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.32 1usb h MET 105 CO 0.05 0.17 -0.50 0.82 1.06 0.00 0.00 176.91 178.51 1usb h ILE 106 N 0.26 1.27 -0.97 -1.22 2.04 -1.24 -2.37 117.51 115.28 1usb h ILE 106 Ca 0.31 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.53 1usb h ILE 106 Cb 0.45 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 38.02 1usb h ILE 106 CO -0.40 0.55 0.63 0.25 0.00 0.00 0.00 178.15 179.19 1usb h LEU 107 N 0.71 1.03 -0.79 1.44 5.85 -0.18 -2.50 115.31 120.87 1usb h LEU 107 Ca 0.03 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1usb h LEU 107 Cb 1.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1usb h LEU 107 CO 0.11 0.69 -0.06 0.18 -0.34 0.00 0.00 178.44 179.03 1usb n LEU 108 N -4.49 1.29 0.06 2.25 4.77 0.15 -4.43 117.00 116.59 1usb n LEU 108 Ca 0.13 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.59 1usb n LEU 108 Cb 0.12 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1usb n LEU 108 CO 0.34 0.22 0.83 0.25 -1.33 0.00 0.00 177.39 177.70 1usb h LEU 109 N 1.92 -0.05 0.00 2.23 5.85 -0.95 -2.01 115.31 122.30 1usb h LEU 109 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1usb h LEU 109 Cb 0.47 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1usb h LEU 109 CO 0.00 0.01 0.00 -0.81 -0.34 0.00 0.00 178.44 177.30 1usb n PRO 110 N -5.10 0.37 0.00 5.25 -0.04 -1.26 -3.00 135.00 131.22 1usb n PRO 110 Ca -0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 1usb n PRO 110 Cb 0.07 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.08 1usb n PRO 110 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1usb n VAL 111 N -0.93 0.00 -1.92 0.52 0.31 -0.78 -5.03 118.33 110.50 1usb n VAL 111 Ca 0.08 -0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 63.69 1usb n VAL 111 Cb 0.03 1.02 0.02 0.00 -0.91 0.00 0.00 33.84 34.01 1usb n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1usb n PRO 113 N -2.24 0.89 -0.35 0.00 -0.02 -1.26 -4.80 135.00 127.22 1usb n PRO 113 Ca 0.09 0.32 0.24 0.00 -2.02 0.00 0.00 63.50 62.14 1usb n PRO 113 Cb 0.53 -1.94 0.50 0.00 -0.02 0.00 0.00 33.50 32.56 1usb n PRO 113 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1usb h PRO 114 N 4.88 0.35 0.00 0.52 0.11 -1.97 0.64 132.00 136.54 1usb h PRO 114 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1usb h PRO 114 Cb 1.35 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1usb h PRO 114 CO 0.81 0.23 0.00 1.05 -0.21 0.00 0.00 178.00 179.88 1usb h GLU 115 N 0.36 0.00 -0.01 1.05 9.09 -2.04 -2.35 114.58 120.69 1usb h GLU 115 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 1usb h GLU 115 Cb 1.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.77 1usb h GLU 115 CO -0.44 0.00 -0.41 0.39 0.05 0.00 0.00 179.01 178.60 1usb n GLU 116 N -3.06 0.74 -0.30 1.06 1.02 0.21 -4.53 120.64 115.78 1usb n GLU 116 Ca -0.01 -0.51 -0.04 0.00 -0.02 0.00 0.00 57.16 56.58 1usb n GLU 116 Cb 0.22 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.22 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 1.24 1.08 -0.07 3.49 3.64 -1.35 -1.03 116.57 123.57 1usb h LYS 117 Ca 0.00 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1usb h LYS 117 Cb 0.57 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1usb h LYS 117 CO 0.00 0.75 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.47 1usb h ASP 118 N 1.10 0.15 -0.59 4.20 3.45 -1.79 -1.23 116.42 121.71 1usb h ASP 118 Ca 0.29 -0.38 0.03 0.00 0.43 0.00 0.00 57.03 57.41 1usb h ASP 118 Cb -0.07 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.62 1usb h ASP 118 CO -0.06 0.49 0.35 0.00 -1.57 0.00 0.00 179.24 178.45 1usb h ALA 119 N 0.66 0.76 -0.31 3.45 0.00 -1.84 -2.12 119.26 119.86 1usb h ALA 119 Ca 0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1usb h ALA 119 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1usb h ALA 119 CO 0.01 0.06 -0.06 0.87 0.00 0.00 0.00 179.25 180.13 1usb h LYS 120 N 0.67 0.59 -0.83 0.00 1.57 -1.03 -1.74 116.57 115.80 1usb h LYS 120 Ca 0.24 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1usb h LYS 120 Cb 0.06 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 1usb h LYS 120 CO -0.12 0.76 0.47 1.25 -0.57 0.00 0.00 179.45 181.25 1usb h LEU 121 N 0.36 1.02 -0.50 2.94 5.85 -1.20 0.74 115.31 124.52 1usb h LEU 121 Ca 0.08 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 1usb h LEU 121 Cb 0.54 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1usb h LEU 121 CO 0.03 0.81 0.06 0.00 -0.34 0.00 0.00 178.44 179.00 1usb h ALA 122 N 1.25 0.67 -0.75 1.25 0.00 -1.08 -1.25 119.26 119.34 1usb h ALA 122 Ca 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1usb h ALA 122 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1usb h ALA 122 CO -0.05 0.42 0.35 1.25 0.00 0.00 0.00 179.25 181.22 1usb h LEU 123 N 0.72 0.99 -0.68 0.00 5.85 -1.02 -0.93 115.31 120.25 1usb h LEU 123 Ca 0.15 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1usb h LEU 123 Cb 0.42 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1usb h LEU 123 CO 0.01 0.86 0.44 0.40 -0.34 0.00 0.00 178.44 179.81 1usb h ILE 124 N 1.06 1.14 -0.14 4.05 2.04 -0.58 -0.09 117.51 124.99 1usb h ILE 124 Ca 0.26 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.65 1usb h ILE 124 Cb 0.14 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1usb h ILE 124 CO -0.03 0.16 -0.62 0.11 0.00 0.00 0.00 178.15 177.77 1usb h LYS 125 N 0.88 0.49 -0.71 2.37 1.57 -0.89 -0.82 116.57 119.45 1usb h LYS 125 Ca 0.26 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1usb h LYS 125 Cb -0.05 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1usb h LYS 125 CO -0.08 0.96 0.34 1.49 -0.57 0.00 0.00 179.45 181.58 1usb h GLU 126 N 0.36 1.03 -0.48 3.15 4.57 -0.97 -1.39 114.58 120.84 1usb h GLU 126 Ca -0.01 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1usb h GLU 126 Cb 1.17 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.56 1usb h GLU 126 CO 0.11 0.81 0.14 0.87 -1.18 0.00 0.00 179.01 179.76 1usb h LYS 127 N 1.00 0.75 -0.02 1.92 1.57 -0.70 -1.43 116.57 119.66 1usb h LYS 127 Ca 0.24 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1usb h LYS 127 Cb 0.13 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1usb h LYS 127 CO -0.03 0.72 0.01 0.82 -0.57 0.00 0.00 179.45 180.40 1usb h ILE 128 N 0.64 1.02 -0.09 1.86 2.04 -0.98 0.27 117.51 122.27 1usb h ILE 128 Ca 0.15 -0.05 -0.16 0.00 1.00 0.00 0.00 64.86 65.81 1usb h ILE 128 Cb 0.29 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1usb h ILE 128 CO -0.00 0.02 -0.61 0.50 0.00 0.00 0.00 178.15 178.05 1usb h LYS 129 N 0.01 0.33 0.00 2.37 1.63 -1.19 -1.62 116.57 118.11 1usb h LYS 129 Ca 0.01 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.58 1usb h LYS 129 Cb 0.01 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1usb h LYS 129 CO -0.00 0.84 -1.12 0.09 -3.45 0.00 0.00 179.45 175.81 1usb n ASN 130 N -3.89 1.78 0.05 4.20 3.02 -0.55 -4.40 115.26 115.47 1usb n ASN 130 Ca -0.03 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1usb n ASN 130 Cb 0.63 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 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 -1.64 0.00 -0.02 3.52 0.63 -0.08 -4.80 116.66 114.27 1usb n ARG 131 Ca -0.01 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.80 1usb n ARG 131 Cb 0.24 -0.28 -0.10 0.00 0.45 0.00 0.00 32.46 32.77 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 0.00 -0.05 -0.42 -0.14 0.05 -1.21 -2.56 116.97 112.65 1usb h TYR 132 Ca 0.00 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.70 1usb h TYR 132 Cb 0.00 0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1usb h TYR 132 CO 0.00 0.60 -0.06 0.74 -1.05 0.00 0.00 178.16 178.39 1usb h PHE 133 N -0.83 0.86 -0.68 4.88 -1.00 -1.50 -2.09 116.94 116.58 1usb h PHE 133 Ca -0.01 -0.17 0.03 0.00 2.81 0.00 0.00 57.97 60.63 1usb h PHE 133 Cb 0.68 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 39.98 1usb h PHE 133 CO 0.16 0.88 0.43 -1.35 -1.61 0.00 0.00 178.31 176.82 1usb h PRO 134 N 0.60 0.82 -0.18 1.51 0.11 -1.76 0.12 132.00 133.21 1usb h PRO 134 Ca 0.11 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.23 1usb h PRO 134 Cb 0.57 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 1usb h PRO 134 CO 0.03 0.54 -0.26 0.00 -0.21 0.00 0.00 178.00 178.11 1usb h ALA 135 N 1.29 -0.21 -0.23 -0.75 0.00 -1.12 -0.39 119.26 117.86 1usb h ALA 135 Ca 0.27 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.07 1usb h ALA 135 Cb 0.01 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1usb h ALA 135 CO -0.10 -0.70 -0.50 0.74 0.00 0.00 0.00 179.25 178.68 1usb h PHE 136 N -0.30 0.95 -0.53 0.00 0.04 -1.03 -2.32 116.94 113.75 1usb h PHE 136 Ca 0.12 -0.35 0.11 0.00 2.80 0.00 0.00 57.97 60.64 1usb h PHE 136 Cb 0.47 -0.17 -0.10 0.00 2.20 0.00 0.00 35.95 38.35 1usb h PHE 136 CO -0.38 1.15 -0.09 1.49 -0.60 0.00 0.00 178.31 179.88 1usb h GLU 137 N 0.48 0.03 -0.87 1.51 4.57 -0.68 -2.37 114.58 117.25 1usb h GLU 137 Ca 0.00 -0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1usb h GLU 137 Cb 1.11 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.63 1usb h GLU 137 CO 0.11 0.02 0.53 -0.22 -1.18 0.00 0.00 179.01 178.28 1usb h LYS 138 N 0.03 0.93 -0.01 1.92 3.64 -0.90 -0.23 116.57 121.95 1usb h LYS 138 Ca 0.26 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1usb h LYS 138 Cb 0.40 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1usb h LYS 138 CO -0.52 0.62 0.01 0.28 -2.27 0.00 0.00 179.45 177.56 1usb h VAL 139 N 0.96 1.03 -0.70 2.00 2.07 -1.09 -0.89 116.25 119.62 1usb h VAL 139 Ca 0.39 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.79 1usb h VAL 139 Cb 0.21 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1usb h VAL 139 CO -0.19 0.02 0.28 -0.07 0.02 0.00 0.00 177.57 177.64 1usb h LEU 140 N -0.02 0.97 -0.51 2.57 3.38 -0.90 -3.03 115.31 117.78 1usb h LEU 140 Ca 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1usb h LEU 140 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1usb h LEU 140 CO -0.00 0.88 0.04 0.50 0.09 0.00 0.00 178.44 179.95 1usb h LYS 141 N 1.01 0.87 0.00 1.13 3.64 -0.94 -1.38 116.57 120.89 1usb h LYS 141 Ca 0.23 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1usb h LYS 141 Cb 0.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1usb h LYS 141 CO -0.02 0.88 -0.20 0.66 -2.27 0.00 0.00 179.45 178.50 1usb h SER 142 N 0.74 0.00 0.05 4.20 4.64 -1.09 -3.14 113.55 118.95 1usb h SER 142 Ca 0.15 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.24 1usb h SER 142 Cb 0.46 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 1usb h SER 142 CO 0.02 0.20 -2.19 1.41 -0.87 0.00 0.00 176.83 175.40 1usb n HIS 143 N -3.79 0.07 -1.46 4.77 8.25 -1.15 -4.99 115.22 116.92 1usb n HIS 143 Ca -0.02 0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1usb n HIS 143 Cb 0.31 -0.83 -0.06 0.00 1.12 0.00 0.00 29.99 30.52 1usb n HIS 143 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1usb n GLY 144 N 1.56 1.42 3.83 -1.41 0.00 -0.53 -4.98 105.19 105.07 1usb n GLY 144 Ca -0.21 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.30 2.50 0.34 1.61 -0.21 -1.25 -5.04 119.66 114.31 1usb s GLN 145 Ca 0.00 -1.54 0.19 0.00 0.02 0.00 0.00 55.36 54.03 1usb s GLN 145 Cb 0.00 -2.30 0.18 0.00 1.00 0.00 0.00 33.01 31.89 1usb s GLN 145 CO 0.00 -0.08 1.47 -0.44 -2.12 0.00 0.00 175.29 174.12 1usb h ASP 146 N 1.22 0.00 -3.32 5.90 3.32 -1.93 -3.47 116.42 118.14 1usb h ASP 146 Ca -0.43 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.05 1usb h ASP 146 Cb 1.26 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.63 1usb h ASP 146 CO 0.61 0.23 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.25 1usb s TYR 147 N -3.10 2.03 0.17 4.55 2.02 -1.26 -4.92 117.35 116.84 1usb s TYR 147 Ca 0.05 -0.42 -0.09 0.00 -0.37 0.00 0.00 57.07 56.24 1usb s TYR 147 Cb 0.06 -1.00 0.04 0.00 -0.40 0.00 0.00 41.96 40.67 1usb s TYR 147 CO 0.72 0.42 1.60 -0.07 -1.57 0.00 0.00 175.55 176.65 1usb h LEU 148 N 3.16 1.05 -7.92 -1.29 3.38 -1.90 -3.42 115.31 108.37 1usb h LEU 148 Ca -0.44 -0.34 -0.44 0.00 0.09 0.00 0.00 57.88 56.75 1usb h LEU 148 Cb 1.21 -0.29 -0.32 0.00 0.09 0.00 0.00 40.66 41.35 1usb h LEU 148 CO 0.50 1.15 -0.79 -0.69 0.09 0.00 0.00 178.44 178.71 1usb s VAL 149 N -4.87 0.79 -1.65 1.22 1.01 -1.26 -4.87 120.40 110.77 1usb s VAL 149 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1usb s VAL 149 Cb 0.13 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.78 1usb s VAL 149 CO 0.87 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.84 1usb n GLY 150 N 3.58 1.57 4.07 4.51 0.00 -1.26 -2.79 105.19 114.86 1usb n GLY 150 Ca -0.21 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.51 -3.13 -3.58 1.61 4.05 -1.26 -4.95 115.26 107.49 1usb n ASN 151 Ca -0.16 -0.94 -0.17 0.00 0.45 0.00 0.00 54.58 53.77 1usb n ASN 151 Cb 0.51 -3.18 -0.07 0.00 1.23 0.00 0.00 39.78 38.28 1usb n ASN 151 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1usb s LYS 152 N -6.74 0.95 0.29 1.20 2.20 -1.12 -4.91 119.74 111.60 1usb s LYS 152 Ca 0.56 0.25 -0.29 0.00 -0.36 0.00 0.00 55.97 56.13 1usb s LYS 152 Cb -0.30 0.44 -0.10 0.00 -1.51 0.00 0.00 37.83 36.37 1usb s LYS 152 CO 0.89 -0.27 1.34 -1.17 -0.36 0.00 0.00 175.35 175.78 1usb s LEU 153 N -1.04 4.42 0.25 5.43 2.96 -1.26 -4.61 118.68 124.83 1usb s LEU 153 Ca -0.10 2.63 -0.02 0.00 -0.22 0.00 0.00 54.13 56.42 1usb s LEU 153 Cb -0.02 -3.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1usb s LEU 153 CO 0.08 -0.57 0.27 -0.94 -1.32 0.00 0.00 176.35 173.86 1usb s SER 154 N -0.12 0.49 0.60 3.68 1.04 -1.26 -4.74 113.70 113.38 1usb s SER 154 Ca 0.53 -1.39 0.35 0.00 0.48 0.00 0.00 55.95 55.92 1usb s SER 154 Cb -0.40 0.49 1.93 0.00 0.10 0.00 0.00 66.02 68.14 1usb s SER 154 CO 0.48 -1.00 2.24 0.08 0.98 0.00 0.00 173.24 176.02 1usb h ARG 155 N 2.40 0.00 -0.32 4.02 0.11 -1.29 -2.27 114.38 117.02 1usb h ARG 155 Ca -0.31 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.60 1usb h ARG 155 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 1usb h ARG 155 CO 0.45 0.03 -0.45 0.00 0.10 0.00 0.00 179.97 180.10 1usb h ALA 156 N 1.97 0.49 -0.18 0.08 0.00 -1.90 0.95 119.26 120.67 1usb h ALA 156 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1usb h ALA 156 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1usb h ALA 156 CO 0.00 0.64 0.09 -0.44 0.00 0.00 0.00 179.25 179.54 1usb h ASP 157 N 0.67 0.24 -0.23 0.00 3.32 -1.82 -1.44 116.42 117.16 1usb h ASP 157 Ca 0.04 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1usb h ASP 157 Cb 1.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1usb h ASP 157 CO 0.11 0.30 0.14 0.40 -1.72 0.00 0.00 179.24 178.46 1usb h ILE 158 N 0.16 1.09 -0.02 0.35 2.04 -1.28 -1.82 117.51 118.04 1usb h ILE 158 Ca 0.06 -0.22 -0.13 0.00 1.00 0.00 0.00 64.86 65.57 1usb h ILE 158 Cb 0.12 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1usb h ILE 158 CO -0.01 0.09 -0.59 -0.74 0.00 0.00 0.00 178.15 176.89 1usb h HIS 159 N 0.28 0.10 -0.24 1.37 2.76 -0.84 -1.70 115.15 116.87 1usb h HIS 159 Ca 0.08 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1usb h HIS 159 Cb 0.02 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1usb h HIS 159 CO -0.05 0.65 -0.01 1.25 -1.30 0.00 0.00 177.93 178.47 1usb h LEU 160 N 0.06 0.43 -1.08 0.26 5.85 -1.13 -1.99 115.31 117.70 1usb h LEU 160 Ca -0.01 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1usb h LEU 160 Cb 1.06 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1usb h LEU 160 CO 0.08 0.65 0.47 0.58 -0.34 0.00 0.00 178.44 179.88 1usb h VAL 161 N 0.20 1.23 -0.36 1.05 2.07 -1.20 0.10 116.25 119.35 1usb h VAL 161 Ca 0.07 -0.53 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1usb h VAL 161 Cb 0.43 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1usb h VAL 161 CO 0.01 0.25 0.00 -0.08 0.02 0.00 0.00 177.57 177.77 1usb h GLU 162 N 1.12 0.10 -0.68 1.57 4.81 -1.16 -1.84 114.58 118.50 1usb h GLU 162 Ca 0.29 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1usb h GLU 162 Cb -0.02 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1usb h GLU 162 CO -0.05 0.06 0.30 1.25 -0.73 0.00 0.00 179.01 179.84 1usb h LEU 163 N 0.10 0.89 -1.15 1.64 5.85 -0.71 -2.32 115.31 119.62 1usb h LEU 163 Ca 0.17 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1usb h LEU 163 Cb 0.24 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1usb h LEU 163 CO -0.29 0.78 0.19 -0.07 -0.34 0.00 0.00 178.44 178.71 1usb h LEU 164 N 0.97 0.72 -0.61 2.25 3.38 -0.20 -0.59 115.31 121.24 1usb h LEU 164 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1usb h LEU 164 Cb 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1usb h LEU 164 CO -0.03 0.67 0.36 1.88 0.09 0.00 0.00 178.44 181.41 1usb h TYR 165 N 0.78 0.82 -0.65 1.13 0.05 -0.93 -0.90 116.97 117.26 1usb h TYR 165 Ca 0.18 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.88 1usb h TYR 165 Cb 0.19 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 1usb h TYR 165 CO 0.01 0.57 0.13 1.88 -1.05 0.00 0.00 178.16 179.70 1usb h TYR 166 N 0.83 1.12 -0.52 4.88 0.05 -1.01 -2.26 116.97 120.06 1usb h TYR 166 Ca 0.22 -0.15 -0.12 0.00 0.05 0.00 0.00 58.73 58.73 1usb h TYR 166 Cb 0.00 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 1usb h TYR 166 CO -0.02 0.94 -0.15 0.28 -1.05 0.00 0.00 178.16 178.16 1usb h VAL 167 N 0.98 1.27 -0.64 -2.88 2.07 -1.09 -2.50 116.25 113.45 1usb h VAL 167 Ca 0.20 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.48 1usb h VAL 167 Cb 0.40 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1usb h VAL 167 CO 0.01 0.46 0.33 -0.08 0.02 0.00 0.00 177.57 178.31 1usb h GLU 168 N 0.89 0.58 -0.61 1.57 4.81 -0.93 0.23 114.58 121.13 1usb h GLU 168 Ca 0.13 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1usb h GLU 168 Cb 0.72 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1usb h GLU 168 CO 0.06 0.39 0.40 0.93 -0.73 0.00 0.00 179.01 180.06 1usb h GLU 169 N 0.60 0.71 -0.02 1.92 5.08 -1.24 -2.96 114.58 118.67 1usb h GLU 169 Ca 0.30 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1usb h GLU 169 Cb 0.24 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1usb h GLU 169 CO -0.21 0.47 -0.33 1.25 -1.00 0.00 0.00 179.01 179.18 1usb h LEU 170 N 0.73 0.33 -6.00 1.33 5.85 -0.77 -3.46 115.31 113.32 1usb h LEU 170 Ca 0.24 -0.74 0.15 0.00 0.84 0.00 0.00 57.88 58.38 1usb h LEU 170 Cb 0.06 -0.10 -0.21 0.00 0.37 0.00 0.00 40.66 40.79 1usb h LEU 170 CO -0.06 1.02 -0.11 -0.62 -0.34 0.00 0.00 178.44 178.32 1usb s ASP 171 N -6.41 -0.97 0.42 1.25 -1.08 0.68 -5.06 116.67 105.49 1usb s ASP 171 Ca -0.15 0.48 0.29 0.00 -0.52 0.00 0.00 52.55 52.65 1usb s ASP 171 Cb 0.02 1.76 1.23 0.00 -1.46 0.00 0.00 42.92 44.47 1usb s ASP 171 CO 0.76 -0.18 1.87 0.77 0.52 0.00 0.00 175.17 178.91 1usb h SER 172 N 7.92 0.00 1.61 -0.34 4.64 -1.71 -2.87 113.55 122.79 1usb h SER 172 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1usb h SER 172 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1usb h SER 172 CO 0.07 0.00 -0.18 0.77 -0.87 0.00 0.00 176.83 176.63 1usb h SER 173 N 0.00 0.00 -0.87 4.97 4.64 -1.92 -3.38 113.55 116.99 1usb h SER 173 Ca 0.00 -0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1usb h SER 173 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.45 1usb h SER 173 CO 0.00 0.01 0.57 -0.07 -0.87 0.00 0.00 176.83 176.47 1usb h LEU 174 N 0.00 0.88 -0.06 5.97 3.38 -1.87 -1.91 115.31 121.70 1usb h LEU 174 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1usb h LEU 174 Cb 0.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1usb h LEU 174 CO 0.00 0.58 0.00 0.00 0.09 0.00 0.00 178.44 179.11 1usb n ILE 175 N -4.47 0.54 -0.22 1.22 3.06 -1.26 -4.44 119.36 113.79 1usb n ILE 175 Ca 0.13 0.10 0.03 0.00 -2.50 0.00 0.00 62.75 60.51 1usb n ILE 175 Cb 0.17 -0.78 0.28 0.00 0.54 0.00 0.00 39.64 39.86 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 -0.27 9.51 4.64 -1.58 -0.10 113.55 126.55 1usb h SER 176 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1usb h SER 176 Cb 0.40 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1usb h SER 176 CO 0.00 0.55 0.00 -1.54 -0.87 0.00 0.00 176.83 174.97 1usb n SER 177 N -4.45 2.91 -3.67 4.97 3.41 -1.26 -4.61 113.62 110.91 1usb n SER 177 Ca 0.10 -2.35 -0.27 0.00 -0.26 0.00 0.00 58.87 56.09 1usb n SER 177 Cb 0.13 -0.52 -0.11 0.00 -0.26 0.00 0.00 64.21 63.45 1usb n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1usb n PHE 178 N 0.31 1.94 0.06 7.33 3.72 -0.05 -4.98 117.46 125.79 1usb n PHE 178 Ca 0.12 -3.98 -0.01 0.00 -0.05 0.00 0.00 57.45 53.54 1usb n PHE 178 Cb 0.61 -0.35 0.27 0.00 -0.94 0.00 0.00 39.48 39.07 1usb n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1usb h PRO 179 N 5.26 0.37 0.00 -1.08 0.13 -1.81 -2.25 132.00 132.62 1usb h PRO 179 Ca 0.19 -0.12 -0.11 0.00 -0.87 0.00 0.00 66.00 65.08 1usb h PRO 179 Cb 0.79 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.87 1usb h PRO 179 CO 0.62 0.57 -0.54 -0.07 -0.23 0.00 0.00 178.00 178.35 1usb h LEU 180 N 0.34 0.00 -0.34 1.56 3.38 -1.94 -0.88 115.31 117.42 1usb h LEU 180 Ca 0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1usb h LEU 180 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1usb h LEU 180 CO 0.04 0.54 -0.22 -0.07 0.09 0.00 0.00 178.44 178.81 1usb h LEU 181 N 0.00 0.78 -0.58 1.67 3.38 -1.80 -0.50 115.31 118.27 1usb h LEU 181 Ca -0.01 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1usb h LEU 181 Cb 1.01 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 1usb h LEU 181 CO 0.07 1.05 0.28 0.11 0.09 0.00 0.00 178.44 180.03 1usb h LYS 182 N 0.53 0.50 -0.30 1.13 1.57 -1.21 -1.11 116.57 117.68 1usb h LYS 182 Ca 0.07 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 1usb h LYS 182 Cb 0.78 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1usb h LYS 182 CO 0.06 0.33 -0.48 0.00 -0.57 0.00 0.00 179.45 178.80 1usb h ALA 183 N 1.34 0.58 -0.88 3.86 0.00 -1.08 -2.29 119.26 120.79 1usb h ALA 183 Ca 0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1usb h ALA 183 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1usb h ALA 183 CO -0.21 0.68 0.52 1.25 0.00 0.00 0.00 179.25 181.49 1usb h LEU 184 N 0.65 1.06 -1.01 0.00 5.85 -0.95 -1.45 115.31 119.46 1usb h LEU 184 Ca 0.03 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1usb h LEU 184 Cb 1.06 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1usb h LEU 184 CO 0.11 0.82 0.46 0.50 -0.34 0.00 0.00 178.44 179.99 1usb h LYS 185 N 1.21 1.15 0.04 1.25 3.64 -0.75 -0.97 116.57 122.14 1usb h LYS 185 Ca 0.31 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1usb h LYS 185 Cb -0.04 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1usb h LYS 185 CO -0.06 0.84 -0.02 1.15 -2.27 0.00 0.00 179.45 179.09 1usb h THR 186 N 1.16 1.21 0.05 1.00 2.02 -1.12 -0.77 112.91 116.46 1usb h THR 186 Ca 0.29 -0.86 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1usb h THR 186 Cb 0.02 1.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1usb h THR 186 CO -0.05 0.22 -0.02 0.03 0.37 0.00 0.00 175.52 176.07 1usb h ARG 187 N -0.44 -0.06 -0.44 6.66 3.08 -1.11 -1.79 114.38 120.28 1usb h ARG 187 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1usb h ARG 187 Cb 0.40 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 1usb h ARG 187 CO 0.01 -0.04 -0.09 0.82 -1.07 0.00 0.00 179.97 179.60 1usb h ILE 188 N -0.06 1.25 0.00 2.04 1.08 -1.21 -2.55 117.51 118.06 1usb h ILE 188 Ca -0.01 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.32 1usb h ILE 188 Cb 0.05 1.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1usb h ILE 188 CO 0.01 0.39 -0.03 0.28 -0.69 0.00 0.00 178.15 178.12 1usb h SER 189 N 0.71 0.00 -0.07 1.72 0.02 -0.67 -2.60 113.55 112.65 1usb h SER 189 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1usb h SER 189 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1usb h SER 189 CO 0.04 0.03 0.00 0.59 -1.14 0.00 0.00 176.83 176.34 1usb n ASN 190 N -3.17 2.86 -4.74 3.07 3.02 -0.72 -2.89 115.26 112.70 1usb n ASN 190 Ca -0.01 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 1usb n ASN 190 Cb 0.24 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1usb n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1usb s LEU 191 N -1.74 4.39 0.21 3.41 1.43 -0.98 -4.79 118.68 120.59 1usb s LEU 191 Ca 0.26 2.60 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 1usb s LEU 191 Cb 0.18 -3.61 0.28 0.00 0.03 0.00 0.00 46.19 43.07 1usb s LEU 191 CO 0.27 -0.69 1.69 -0.65 0.23 0.00 0.00 176.35 177.21 1usb h PRO 192 N 5.47 0.20 -0.55 1.29 0.11 -1.89 0.38 132.00 137.01 1usb h PRO 192 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1usb h PRO 192 Cb 1.21 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1usb h PRO 192 CO 0.80 0.14 0.36 1.79 -0.21 0.00 0.00 178.00 180.87 1usb h THR 193 N 0.21 1.12 -0.17 -1.15 1.35 -1.87 0.10 112.91 112.50 1usb h THR 193 Ca 0.31 -0.25 -0.15 0.00 -0.55 0.00 0.00 66.41 65.77 1usb h THR 193 Cb 0.47 0.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.22 1usb h THR 193 CO -0.43 0.13 -0.48 0.58 -0.25 0.00 0.00 175.52 175.07 1usb h VAL 194 N 0.72 1.33 -0.53 6.82 2.07 -1.58 -1.74 116.25 123.34 1usb h VAL 194 Ca 0.21 -1.73 0.07 0.00 0.82 0.00 0.00 66.70 66.07 1usb h VAL 194 Cb -0.05 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 1usb h VAL 194 CO -0.06 0.53 0.22 0.50 0.02 0.00 0.00 177.57 178.79 1usb h LYS 195 N 0.30 0.41 -0.85 1.57 3.64 -0.15 0.24 116.57 121.73 1usb h LYS 195 Ca -0.01 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1usb h LYS 195 Cb 1.10 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.78 1usb h LYS 195 CO 0.10 0.27 0.56 -0.22 -2.27 0.00 0.00 179.45 177.89 1usb h LYS 196 N 0.42 1.09 -0.08 1.90 3.64 -0.62 -2.33 116.57 120.60 1usb h LYS 196 Ca 0.25 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.43 1usb h LYS 196 Cb 0.25 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1usb h LYS 196 CO -0.23 0.72 -0.57 0.35 -2.27 0.00 0.00 179.45 177.45 1usb h PHE 197 N 1.12 0.32 0.00 1.91 3.57 -0.35 -2.52 116.94 121.00 1usb h PHE 197 Ca 0.32 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.71 1usb h PHE 197 Cb -0.09 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1usb h PHE 197 CO -0.02 0.76 0.00 -0.07 -2.23 0.00 0.00 178.31 176.76 1usb h LEU 198 N 0.19 0.00-10.12 0.59 3.38 -0.70 -3.41 115.31 105.25 1usb h LEU 198 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1usb h LEU 198 Cb 1.06 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.90 1usb h LEU 198 CO 0.09 0.00 0.42 -1.10 0.09 0.00 0.00 178.44 177.94 1usb s GLN 199 N -3.31 3.04 0.39 1.13 -0.21 -0.90 -4.98 119.66 114.81 1usb s GLN 199 Ca 0.06 1.61 -0.25 0.00 0.02 0.00 0.00 55.36 56.80 1usb s GLN 199 Cb 0.09 -1.96 -0.12 0.00 1.00 0.00 0.00 33.01 32.02 1usb s GLN 199 CO 0.56 -1.11 0.96 -2.30 -2.12 0.00 0.00 175.29 171.29 1usb n PRO 200 N -1.76 1.27 -0.01 2.91 -0.02 -1.26 -3.07 135.00 133.06 1usb n PRO 200 Ca 0.12 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1usb n PRO 200 Cb 0.51 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.25 0.68 3.88 -1.23 0.00 -1.26 -5.06 105.19 103.45 1usb n GLY 201 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.48 3.93 0.00 1.61 1.04 -1.17 -4.93 113.70 111.69 1usb s SER 202 Ca 0.00 0.68 0.08 0.00 0.48 0.00 0.00 55.95 57.19 1usb s SER 202 Cb 0.00 -1.08 0.40 0.00 0.10 0.00 0.00 66.02 65.44 1usb s SER 202 CO 0.00 -2.26 1.10 -2.65 0.98 0.00 0.00 173.24 170.41 1usb n PRO 203 N -3.53 0.12 -1.67 4.02 -0.02 -1.26 -4.82 135.00 127.83 1usb n PRO 203 Ca 0.10 0.20 -0.45 0.00 -2.02 0.00 0.00 63.50 61.33 1usb n PRO 203 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.27 2.05 -4.01 -0.52 0.63 -1.26 -4.99 116.66 107.28 1usb n ARG 204 Ca 0.04 0.73 -0.31 0.00 -0.92 0.00 0.00 57.85 57.39 1usb n ARG 204 Cb 0.06 -2.40 -0.06 0.00 0.45 0.00 0.00 32.46 30.51 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 -0.32 3.08 0.85 -0.14 -0.14 -1.26 -5.00 119.74 116.81 1usb s LYS 205 Ca 0.69 -0.58 -0.12 0.00 -1.36 0.00 0.00 55.97 54.59 1usb s LYS 205 Cb -0.65 -2.84 0.10 0.00 -1.68 0.00 0.00 37.83 32.76 1usb s LYS 205 CO 0.49 0.59 1.15 -1.25 -0.76 0.00 0.00 175.35 175.57 1usb s PRO 206 N -2.34 1.64 0.49 -1.68 0.04 -1.26 -4.82 135.00 127.08 1usb s PRO 206 Ca 0.30 0.23 -0.24 0.00 0.04 0.00 0.00 61.00 61.34 1usb s PRO 206 Cb -0.12 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 1usb s PRO 206 CO 0.23 -1.84 1.39 -2.14 0.04 0.00 0.00 177.00 174.68 1usb s PRO 207 N -5.42 3.45 0.25 0.56 0.02 -1.26 -4.31 135.00 128.30 1usb s PRO 207 Ca 0.63 2.32 -0.30 0.00 0.02 0.00 0.00 61.00 63.67 1usb s PRO 207 Cb -0.13 -2.48 -0.14 0.00 0.02 0.00 0.00 34.50 31.77 1usb s PRO 207 CO 0.51 -0.97 1.12 0.00 -0.33 0.00 0.00 177.00 177.34 1usb n MET 208 N -0.56 1.44 -4.82 5.54 0.00 -1.26 -5.02 117.12 112.45 1usb n MET 208 Ca 0.07 0.51 -0.32 0.00 0.00 0.00 0.00 57.70 57.96 1usb n MET 208 Cb 0.43 -1.97 -0.13 0.00 0.00 0.00 0.00 33.22 31.56 1usb n MET 208 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 1usb s ASP 209 N -0.27 3.96 0.00 3.17 -4.77 -1.26 -5.01 116.67 112.49 1usb s ASP 209 Ca 0.64 -0.27 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 1usb s ASP 209 Cb -0.73 -0.77 0.00 0.00 -1.09 0.00 0.00 42.92 40.33 1usb s ASP 209 CO 0.57 0.31 0.12 -0.62 0.70 0.00 0.00 175.17 176.25 1usb n GLU 210 N 2.04 0.00 0.00 2.11 1.02 -1.26 -0.23 120.64 124.32 1usb n GLU 210 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 1usb n GLU 210 Cb 0.52 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1usb n GLU 210 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1usb n LYS 211 N -0.61 0.00 0.12 3.49 5.02 -1.26 -3.77 118.16 121.15 1usb n LYS 211 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.32 1usb n LYS 211 Cb 0.00 -0.21 0.17 0.00 -0.02 0.00 0.00 35.03 34.97 1usb n LYS 211 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1usb n SER 212 N -0.25 0.16 0.00 4.39 3.41 -1.06 -2.14 113.62 118.13 1usb n SER 212 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1usb n SER 212 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1usb n SER 212 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1usb n LEU 213 N -1.75 0.14 0.00 1.04 7.94 0.69 -2.03 117.00 123.02 1usb n LEU 213 Ca -0.00 0.35 0.01 0.00 -1.11 0.00 0.00 56.01 55.25 1usb n LEU 213 Cb 0.44 -0.47 0.05 0.00 0.53 0.00 0.00 43.42 43.97 1usb n LEU 213 CO 0.03 -0.47 0.18 -0.62 -1.11 0.00 0.00 177.39 175.40 1usb n GLU 214 N -2.05 0.20 -0.00 1.96 1.02 -1.17 -1.41 120.64 119.18 1usb n GLU 214 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1usb n GLU 214 Cb 0.00 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 30.27 1usb n GLU 214 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1usb n GLU 215 N -0.63 0.97 0.00 3.49 4.71 -0.91 -4.69 120.64 123.58 1usb n GLU 215 Ca 0.01 -0.02 0.14 0.00 -0.01 0.00 0.00 57.16 57.28 1usb n GLU 215 Cb 0.01 -1.07 0.53 0.00 -1.01 0.00 0.00 31.44 29.90 1usb n GLU 215 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1usb n HIS 216 N -1.74 0.00 0.26 -0.32 8.25 -0.50 -3.33 115.22 117.84 1usb n HIS 216 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1usb n HIS 216 Cb 0.21 -0.43 0.68 0.00 1.12 0.00 0.00 29.99 31.58 1usb n HIS 216 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1usb h ARG 217 N 0.01 0.00 0.00 -0.41 3.08 -1.81 -2.98 114.38 112.27 1usb h ARG 217 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1usb h ARG 217 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1usb h ARG 217 CO 0.00 0.14 0.00 0.87 -1.07 0.00 0.00 179.97 179.91 1usb h LYS 218 N 0.00 0.00 -0.24 0.04 1.79 -1.87 -2.75 116.57 113.55 1usb h LYS 218 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.27 1usb h LYS 218 Cb 0.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 1usb h LYS 218 CO 0.02 0.00 -0.62 0.82 -1.08 0.00 0.00 179.45 178.59 1usb h ILE 219 N 0.00 1.28 0.00 1.86 2.04 -1.73 -3.41 117.51 117.55 1usb h ILE 219 Ca 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 1usb h ILE 219 Cb 0.54 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1usb h ILE 219 CO 0.00 0.58 0.00 0.33 0.00 0.00 0.00 178.15 179.06