#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwe s GLY 3 N 0.00 2.29 0.36 -1.23 0.00 -1.26 -5.06 107.32 102.41 2pwe s GLY 3 Ca 0.00 -0.22 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 2pwe s GLY 3 CO 0.00 -0.07 0.95 0.00 0.00 0.00 0.00 173.10 173.98 2pwe s ALA 4 N -1.85 3.16 0.75 3.20 0.00 -1.26 -5.00 121.76 120.75 2pwe s ALA 4 Ca 0.49 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 2pwe s ALA 4 Cb -0.11 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2pwe s ALA 4 CO 0.21 0.15 0.74 -2.30 0.00 0.00 0.00 175.76 174.55 2pwe n PRO 5 N 0.20 0.32 -0.19 0.00 -0.02 -1.26 -4.88 135.00 129.16 2pwe n PRO 5 Ca 0.03 0.16 0.09 0.00 -2.02 0.00 0.00 63.50 61.76 2pwe n PRO 5 Cb 0.51 -2.03 0.38 0.00 -0.02 0.00 0.00 33.50 32.34 2pwe n PRO 5 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pwe h TRP 6 N -0.47 0.73 0.00 6.00 5.08 -1.99 -2.02 115.95 123.28 2pwe h TRP 6 Ca -0.46 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 2pwe h TRP 6 Cb 1.33 -0.24 -0.00 0.00 -3.00 0.00 0.00 29.16 27.25 2pwe h TRP 6 CO 0.38 0.35 -0.11 0.11 -1.28 0.00 0.00 178.44 177.89 2pwe h TRP 7 N 0.69 0.00 0.00 0.12 5.08 -1.96 -1.72 115.95 118.17 2pwe h TRP 7 Ca 0.34 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.23 2pwe h TRP 7 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.56 2pwe h TRP 7 CO -0.00 0.11 -0.37 0.87 -1.28 0.00 0.00 178.44 177.77 2pwe h LYS 8 N 0.00 0.00 -0.32 0.12 1.57 -1.71 -3.26 116.57 112.98 2pwe h LYS 8 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pwe h LYS 8 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2pwe h LYS 8 CO 0.01 0.37 0.00 -1.13 -0.57 0.00 0.00 179.45 178.13 2pwe n SER 9 N -3.26 2.85 -4.89 0.86 3.41 -0.95 -4.61 113.62 107.03 2pwe n SER 9 Ca 0.02 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.35 2pwe n SER 9 Cb 0.63 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 2pwe n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwe s ALA 10 N -1.00 3.33 -0.21 7.33 0.00 -0.69 -4.93 121.76 125.60 2pwe s ALA 10 Ca 0.22 -0.35 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 2pwe s ALA 10 Cb 0.11 -2.71 0.01 0.00 0.00 0.00 0.00 23.12 20.53 2pwe s ALA 10 CO 0.15 -0.33 -0.10 0.08 0.00 0.00 0.00 175.76 175.55 2pwe s VAL 11 N -2.74 2.84 0.24 0.00 1.01 -1.26 -4.17 120.40 116.31 2pwe s VAL 11 Ca 0.50 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2pwe s VAL 11 Cb -0.10 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 2pwe s VAL 11 CO 0.43 0.44 0.38 -0.36 0.00 0.00 0.00 175.10 176.00 2pwe s PHE 12 N 1.39 3.47 -0.04 5.22 0.40 -0.22 -1.43 117.98 126.77 2pwe s PHE 12 Ca 0.05 0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2pwe s PHE 12 Cb -0.14 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.72 2pwe s PHE 12 CO -0.07 0.39 -0.06 -0.47 0.70 0.00 0.00 175.22 175.71 2pwe s TYR 13 N -1.98 0.82 -0.24 0.36 6.14 -0.37 -0.91 117.35 121.17 2pwe s TYR 13 Ca 0.36 -0.23 -0.14 0.00 0.64 0.00 0.00 57.07 57.69 2pwe s TYR 13 Cb -0.10 -0.68 -0.04 0.00 0.42 0.00 0.00 41.96 41.56 2pwe s TYR 13 CO 0.30 -0.18 0.34 -1.14 0.64 0.00 0.00 175.55 175.52 2pwe s GLN 14 N 0.74 4.08 -0.22 4.97 0.74 0.12 -1.37 119.66 128.73 2pwe s GLN 14 Ca -0.11 0.03 -0.05 0.00 0.05 0.00 0.00 55.36 55.28 2pwe s GLN 14 Cb -0.13 -3.60 -0.02 0.00 1.10 0.00 0.00 33.01 30.36 2pwe s GLN 14 CO 0.01 -0.14 -0.00 0.08 -0.55 0.00 0.00 175.29 174.69 2pwe s VAL 15 N 1.63 3.77 -0.67 1.34 1.01 -0.22 -1.71 120.40 125.56 2pwe s VAL 15 Ca 0.15 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2pwe s VAL 15 Cb -0.15 -2.73 0.15 0.00 0.00 0.00 0.00 36.38 33.65 2pwe s VAL 15 CO 0.08 0.40 0.69 -0.47 0.00 0.00 0.00 175.10 175.81 2pwe s TYR 16 N 1.39 3.29 0.30 5.22 5.04 -1.26 -2.32 117.35 129.01 2pwe s TYR 16 Ca 0.05 -1.38 0.04 0.00 -2.44 0.00 0.00 57.07 53.34 2pwe s TYR 16 Cb -0.15 -3.92 0.77 0.00 0.35 0.00 0.00 41.96 39.01 2pwe s TYR 16 CO 0.00 -1.14 1.64 -1.35 -1.34 0.00 0.00 175.55 173.36 2pwe h PRO 17 N 8.69 0.20 -0.68 4.97 0.11 -1.93 -0.10 132.00 143.26 2pwe h PRO 17 Ca -0.15 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.14 2pwe h PRO 17 Cb 1.07 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2pwe h PRO 17 CO 0.99 0.13 0.48 -0.09 -0.21 0.00 0.00 178.00 179.31 2pwe h ARG 18 N 0.21 0.02 0.00 1.05 2.43 -1.93 -2.73 114.38 113.42 2pwe h ARG 18 Ca 0.58 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.75 2pwe h ARG 18 Cb 1.20 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 2pwe h ARG 18 CO -0.67 0.01 -0.16 0.43 -1.51 0.00 0.00 179.97 178.08 2pwe n SER 19 N -4.34 1.93 -0.07 -3.80 7.64 -0.08 -0.46 113.62 114.43 2pwe n SER 19 Ca 0.13 -3.03 -0.06 0.00 1.01 0.00 0.00 58.87 56.92 2pwe n SER 19 Cb 0.74 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 2pwe n SER 19 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2pwe n PHE 20 N -1.16 0.45 -3.57 1.43 7.35 -1.03 -1.46 117.46 119.46 2pwe n PHE 20 Ca 0.14 0.20 -0.05 0.00 -0.76 0.00 0.00 57.45 56.98 2pwe n PHE 20 Cb 0.67 -0.59 -0.07 0.00 0.35 0.00 0.00 39.48 39.84 2pwe n PHE 20 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2pwe s LYS 21 N -2.39 0.44 -0.06 -4.13 2.47 -1.26 -4.41 119.74 110.39 2pwe s LYS 21 Ca -0.19 1.12 -0.18 0.00 -1.56 0.00 0.00 55.97 55.16 2pwe s LYS 21 Cb 0.03 0.45 -0.05 0.00 -1.46 0.00 0.00 37.83 36.80 2pwe s LYS 21 CO 0.28 -0.31 0.49 0.34 0.16 0.00 0.00 175.35 176.32 2pwe s ASP 22 N 2.73 6.78 0.00 1.43 2.15 -0.58 -1.16 116.67 128.02 2pwe s ASP 22 Ca 0.01 0.93 0.02 0.00 0.43 0.00 0.00 52.55 53.94 2pwe s ASP 22 Cb -0.13 -2.30 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 2pwe s ASP 22 CO -0.16 0.10 0.76 0.35 -0.17 0.00 0.00 175.17 176.05 2pwe n THR 23 N 3.04 0.42 -1.71 1.71 -2.24 -1.26 -4.62 114.28 109.63 2pwe n THR 23 Ca -0.08 -0.71 0.04 0.00 -2.27 0.00 0.00 64.05 61.03 2pwe n THR 23 Cb 0.52 0.81 0.06 0.00 -2.10 0.00 0.00 70.33 69.62 2pwe n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pwe n ASN 24 N -0.09 1.02 -1.37 3.42 6.94 -1.26 -5.03 115.26 118.89 2pwe n ASN 24 Ca 0.01 -2.50 -0.17 0.00 -0.02 0.00 0.00 54.58 51.90 2pwe n ASN 24 Cb 0.14 -0.31 -0.07 0.00 -2.36 0.00 0.00 39.78 37.18 2pwe n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pwe n GLY 25 N -0.51 1.61 0.42 4.83 0.00 -1.26 -4.83 105.19 105.45 2pwe n GLY 25 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2pwe n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pwe n ASP 26 N -1.12 1.28 0.00 1.61 5.75 -1.26 -4.01 116.55 118.81 2pwe n ASP 26 Ca -0.17 -1.57 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 2pwe n ASP 26 Cb 0.61 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2pwe n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pwe n GLY 27 N 1.08 0.77 3.22 6.12 0.00 -1.25 -4.78 105.19 110.36 2pwe n GLY 27 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2pwe n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwe s ILE 28 N -2.96 1.79 0.80 -0.61 1.01 -1.26 -1.33 121.20 118.64 2pwe s ILE 28 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 2pwe s ILE 28 Cb 0.00 -1.51 0.08 0.00 0.01 0.00 0.00 42.46 41.04 2pwe s ILE 28 CO 0.00 0.50 1.14 -0.83 0.00 0.00 0.00 174.94 175.75 2pwe s GLY 29 N -0.19 1.87 0.33 6.18 0.00 0.39 -4.33 107.32 111.56 2pwe s GLY 29 Ca -0.01 0.54 -0.02 0.00 0.00 0.00 0.00 44.72 45.24 2pwe s GLY 29 CO 0.02 0.93 0.43 0.51 0.00 0.00 0.00 173.10 174.99 2pwe s ASP 30 N -2.77 0.93 0.22 1.64 1.47 -0.31 -4.33 116.67 113.52 2pwe s ASP 30 Ca 0.66 -1.49 -0.08 0.00 1.18 0.00 0.00 52.55 52.82 2pwe s ASP 30 Cb -0.22 0.63 0.18 0.00 -0.34 0.00 0.00 42.92 43.17 2pwe s ASP 30 CO 0.53 -1.23 1.85 -0.26 0.68 0.00 0.00 175.17 176.74 2pwe h PHE 31 N 2.15 1.12 -0.81 2.11 0.04 -1.13 -1.69 116.94 118.73 2pwe h PHE 31 Ca -0.28 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 2pwe h PHE 31 Cb 1.24 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.99 2pwe h PHE 31 CO 1.40 0.76 0.47 0.87 -0.60 0.00 0.00 178.31 181.22 2pwe h LYS 32 N 1.15 1.10 -0.20 1.51 1.57 -1.91 0.30 116.57 120.09 2pwe h LYS 32 Ca 0.30 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2pwe h LYS 32 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2pwe h LYS 32 CO -0.05 0.78 0.05 0.78 -0.57 0.00 0.00 179.45 180.44 2pwe h GLY 33 N 1.13 0.34 0.99 3.86 0.00 -1.49 -1.22 103.07 106.68 2pwe h GLY 33 Ca 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.39 2pwe h GLY 33 CO -0.05 0.19 0.28 -2.00 0.00 0.00 0.00 176.54 174.96 2pwe h LEU 34 N 0.14 0.80 -1.10 3.11 5.85 -0.92 -2.62 115.31 120.58 2pwe h LEU 34 Ca 0.06 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2pwe h LEU 34 Cb 0.25 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2pwe h LEU 34 CO -0.00 0.73 0.57 0.74 -0.34 0.00 0.00 178.44 180.14 2pwe h THR 35 N 0.83 1.23 0.00 1.05 2.02 -0.82 -1.09 112.91 116.14 2pwe h THR 35 Ca 0.21 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2pwe h THR 35 Cb 0.15 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2pwe h THR 35 CO -0.02 0.23 -0.05 -0.33 0.37 0.00 0.00 175.52 175.72 2pwe h GLU 36 N 1.21 0.00 -0.53 6.66 5.08 -0.85 -2.66 114.58 123.49 2pwe h GLU 36 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2pwe h GLU 36 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2pwe h GLU 36 CO -0.07 0.05 0.00 1.63 -1.00 0.00 0.00 179.01 179.62 2pwe n LYS 37 N -3.79 4.18 -0.03 2.33 4.76 -0.42 -4.51 118.16 120.68 2pwe n LYS 37 Ca -0.03 -3.00 -0.04 0.00 -2.87 0.00 0.00 58.31 52.37 2pwe n LYS 37 Cb 0.15 -2.06 0.19 0.00 -1.84 0.00 0.00 35.03 31.47 2pwe n LYS 37 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pwe h LEU 38 N 3.53 0.58 -1.46 -0.35 3.38 -1.36 -2.20 115.31 117.43 2pwe h LEU 38 Ca 0.00 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2pwe h LEU 38 Cb 1.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2pwe h LEU 38 CO 0.36 0.76 -0.26 0.44 0.09 0.00 0.00 178.44 179.83 2pwe h ASP 39 N 0.54 0.01 0.05 -0.43 3.32 -1.84 0.61 116.42 118.68 2pwe h ASP 39 Ca 0.09 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pwe h ASP 39 Cb 0.58 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 2pwe h ASP 39 CO 0.04 0.27 -0.03 0.22 -1.72 0.00 0.00 179.24 178.02 2pwe h TYR 40 N 0.01 -0.07 -0.57 4.55 3.20 -1.73 0.70 116.97 123.07 2pwe h TYR 40 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2pwe h TYR 40 Cb 0.47 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 2pwe h TYR 40 CO 0.00 0.28 0.18 -0.07 -1.64 0.00 0.00 178.16 176.91 2pwe h LEU 41 N -0.42 0.83 -0.77 2.82 3.38 -0.94 -1.82 115.31 118.39 2pwe h LEU 41 Ca -0.01 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2pwe h LEU 41 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2pwe h LEU 41 CO 0.01 0.81 0.51 0.50 0.09 0.00 0.00 178.44 180.36 2pwe h LYS 42 N 0.80 0.99 -0.08 1.13 1.63 0.29 -2.06 116.57 119.26 2pwe h LYS 42 Ca 0.18 -0.06 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2pwe h LYS 42 Cb 0.28 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2pwe h LYS 42 CO -0.01 0.65 -0.15 0.78 -3.45 0.00 0.00 179.45 177.28 2pwe h GLY 43 N 1.02 0.12 1.91 5.01 0.00 -0.39 -0.75 103.07 109.99 2pwe h GLY 43 Ca 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.48 2pwe h GLY 43 CO -0.08 0.07 -0.28 -2.00 0.00 0.00 0.00 176.54 174.25 2pwe h LEU 44 N 0.11 0.11 0.00 3.11 5.85 -0.66 -3.47 115.31 120.37 2pwe h LEU 44 Ca 0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2pwe h LEU 44 Cb 0.34 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.34 2pwe h LEU 44 CO 0.02 0.39 0.00 0.61 -0.34 0.00 0.00 178.44 179.12 2pwe n GLY 45 N -0.62 1.49 3.72 3.75 0.00 -0.29 -4.55 105.19 108.69 2pwe n GLY 45 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2pwe n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwe s ILE 46 N -2.00 3.53 -0.09 -0.61 -1.09 -0.99 -4.85 121.20 115.10 2pwe s ILE 46 Ca 0.00 1.13 0.03 0.00 -2.23 0.00 0.00 60.65 59.57 2pwe s ILE 46 Cb 0.00 -3.72 -0.24 0.00 -1.58 0.00 0.00 42.46 36.91 2pwe s ILE 46 CO 0.00 0.10 0.46 0.47 -1.23 0.00 0.00 174.94 174.75 2pwe n ASP 47 N 3.72 1.50 -3.81 3.58 8.00 -0.51 -4.70 116.55 124.34 2pwe n ASP 47 Ca 0.10 0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.76 2pwe n ASP 47 Cb 0.44 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2pwe n ASP 47 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pwe s ALA 48 N -2.57 -0.54 -0.05 2.24 0.00 -1.16 -2.01 121.76 117.66 2pwe s ALA 48 Ca -0.15 -0.04 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2pwe s ALA 48 Cb 0.07 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 2pwe s ALA 48 CO 0.79 -0.33 -0.22 0.42 0.00 0.00 0.00 175.76 176.42 2pwe s ILE 49 N -2.10 1.84 -0.24 0.00 1.01 -0.56 -1.24 121.20 119.91 2pwe s ILE 49 Ca -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.57 2pwe s ILE 49 Cb -0.03 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2pwe s ILE 49 CO -0.01 0.52 0.00 0.86 0.00 0.00 0.00 174.94 176.31 2pwe s TRP 50 N -0.13 3.03 -0.04 3.97 -0.00 -0.47 -0.29 118.94 125.01 2pwe s TRP 50 Ca -0.03 -0.83 -0.03 0.00 -0.00 0.00 0.00 56.10 55.21 2pwe s TRP 50 Cb -0.13 -2.16 -0.04 0.00 -0.00 0.00 0.00 33.47 31.14 2pwe s TRP 50 CO 0.03 -0.51 0.11 0.96 -0.00 0.00 0.00 176.95 177.54 2pwe s ILE 51 N 1.51 5.04 0.89 5.86 -4.36 -0.65 -1.05 121.20 128.43 2pwe s ILE 51 Ca 0.05 -0.20 -0.12 0.00 -0.26 0.00 0.00 60.65 60.13 2pwe s ILE 51 Cb -0.15 -3.28 0.12 0.00 1.25 0.00 0.00 42.46 40.40 2pwe s ILE 51 CO -0.01 0.42 1.10 0.20 0.24 0.00 0.00 174.94 176.89 2pwe s ASN 52 N -1.56 3.59 -0.17 4.36 -0.87 -0.98 -3.04 114.94 116.27 2pwe s ASN 52 Ca 0.21 1.39 -0.31 0.00 -1.57 0.00 0.00 52.86 52.58 2pwe s ASN 52 Cb -0.12 -2.08 -0.14 0.00 -0.02 0.00 0.00 41.25 38.89 2pwe s ASN 52 CO 0.12 -2.55 0.95 -2.65 -2.57 0.00 0.00 177.10 170.40 2pwe n PRO 53 N -3.82 0.00 -0.12 -0.60 -0.02 -1.26 -4.73 135.00 124.46 2pwe n PRO 53 Ca 0.07 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 2pwe n PRO 53 Cb 0.56 -1.08 0.12 0.00 -0.02 0.00 0.00 33.50 33.08 2pwe n PRO 53 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2pwe n HIS 54 N 1.91 0.00 -3.25 6.00 1.44 -1.26 -4.72 115.22 115.34 2pwe n HIS 54 Ca 0.18 -0.87 -0.21 0.00 -2.01 0.00 0.00 57.72 54.81 2pwe n HIS 54 Cb 0.01 -0.14 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2pwe n HIS 54 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2pwe s TYR 55 N -2.50 3.18 0.15 -1.40 1.51 -1.26 -0.48 117.35 116.55 2pwe s TYR 55 Ca 0.28 0.01 -0.34 0.00 -1.01 0.00 0.00 57.07 56.00 2pwe s TYR 55 Cb 0.24 -2.14 -0.16 0.00 -0.11 0.00 0.00 41.96 39.80 2pwe s TYR 55 CO 0.03 -0.17 1.30 0.00 -1.11 0.00 0.00 175.55 175.60 2pwe n ALA 56 N -1.85 -0.39 -3.61 3.71 0.00 -0.36 -3.52 120.51 114.49 2pwe n ALA 56 Ca 0.00 0.47 -0.15 0.00 0.00 0.00 0.00 53.44 53.77 2pwe n ALA 56 Cb 0.58 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.85 2pwe n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pwe s SER 57 N 0.30 -0.73 0.00 0.00 0.15 -1.26 -0.68 113.70 111.47 2pwe s SER 57 Ca 0.77 1.33 0.24 0.00 0.70 0.00 0.00 55.95 58.99 2pwe s SER 57 Cb -0.84 1.32 1.13 0.00 -1.71 0.00 0.00 66.02 65.92 2pwe s SER 57 CO 0.48 -0.30 1.79 -2.65 1.20 0.00 0.00 173.24 173.76 2pwe n PRO 58 N 2.44 0.20 -2.90 5.44 -0.02 -1.24 -4.92 135.00 134.00 2pwe n PRO 58 Ca -0.15 0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.21 2pwe n PRO 58 Cb 0.55 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.56 2pwe n PRO 58 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pwe n ASN 59 N -1.38 -5.53 0.22 2.55 3.02 -1.26 -4.88 115.26 108.00 2pwe n ASN 59 Ca 0.09 -0.24 0.10 0.00 -0.03 0.00 0.00 54.58 54.50 2pwe n ASN 59 Cb 0.23 -4.37 0.49 0.00 -0.61 0.00 0.00 39.78 35.52 2pwe n ASN 59 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2pwe h THR 60 N -1.17 0.61 -0.70 3.41 1.35 -1.91 -3.15 112.91 111.35 2pwe h THR 60 Ca -0.46 -1.07 -0.34 0.00 -0.55 0.00 0.00 66.41 63.99 2pwe h THR 60 Cb 1.32 1.71 -0.41 0.00 -1.73 0.00 0.00 68.15 69.04 2pwe h THR 60 CO 0.49 0.22 -1.07 -0.67 -0.25 0.00 0.00 175.52 174.25 2pwe n ASP 61 N -3.46 2.25 -4.12 5.36 2.03 -1.26 -4.88 116.55 112.47 2pwe n ASP 61 Ca -0.00 -2.57 -0.39 0.00 0.52 0.00 0.00 54.79 52.34 2pwe n ASP 61 Cb 0.40 -0.47 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 2pwe n ASP 61 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2pwe n ASN 62 N -0.47 -2.18 0.00 1.67 5.03 -1.19 -1.72 115.26 116.39 2pwe n ASN 62 Ca 0.15 -1.22 0.00 0.00 0.87 0.00 0.00 54.58 54.38 2pwe n ASN 62 Cb 0.82 -1.48 0.00 0.00 -1.02 0.00 0.00 39.78 38.10 2pwe n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pwe n GLY 63 N -2.20 2.82 0.17 7.41 0.00 -1.26 -4.81 105.19 107.33 2pwe n GLY 63 Ca -0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.94 2pwe n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pwe n TYR 64 N -0.87 0.07 -3.88 1.61 4.01 -0.70 -4.21 117.16 113.18 2pwe n TYR 64 Ca 0.00 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.41 2pwe n TYR 64 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2pwe n TYR 64 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2pwe s ASP 65 N -1.56 4.19 -0.12 7.72 -4.77 -1.26 -4.83 116.67 116.04 2pwe s ASP 65 Ca 0.29 -3.07 -0.22 0.00 -3.30 0.00 0.00 52.55 46.25 2pwe s ASP 65 Cb 0.14 -1.48 -0.03 0.00 -1.09 0.00 0.00 42.92 40.45 2pwe s ASP 65 CO 0.22 -0.21 0.67 -0.63 0.70 0.00 0.00 175.17 175.92 2pwe s ILE 66 N -0.33 5.04 -0.82 2.11 1.01 -1.26 -3.65 121.20 123.30 2pwe s ILE 66 Ca 0.19 1.33 0.22 0.00 0.00 0.00 0.00 60.65 62.38 2pwe s ILE 66 Cb -0.22 -4.00 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 2pwe s ILE 66 CO -0.03 0.20 0.88 -1.54 0.00 0.00 0.00 174.94 174.45 2pwe n SER 67 N 4.26 0.78 -3.17 3.58 3.41 0.14 -0.56 113.62 122.07 2pwe n SER 67 Ca -0.01 -0.74 0.03 0.00 -0.26 0.00 0.00 58.87 57.89 2pwe n SER 67 Cb 0.51 1.09 -0.02 0.00 -0.26 0.00 0.00 64.21 65.53 2pwe n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pwe s ASP 68 N -3.31 -1.25 0.37 4.04 -1.08 -1.23 -4.09 116.67 110.13 2pwe s ASP 68 Ca 0.05 0.70 0.26 0.00 -0.52 0.00 0.00 52.55 53.05 2pwe s ASP 68 Cb 0.16 2.04 1.29 0.00 -1.46 0.00 0.00 42.92 44.95 2pwe s ASP 68 CO 0.86 -0.27 1.80 1.88 0.52 0.00 0.00 175.17 179.96 2pwe h TYR 69 N 8.02 0.00 -0.40 -5.34 0.05 -1.88 -3.13 116.97 114.29 2pwe h TYR 69 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2pwe h TYR 69 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 2pwe h TYR 69 CO 0.13 0.00 0.00 0.54 -1.05 0.00 0.00 178.16 177.78 2pwe n ARG 70 N -2.44 3.18 -4.27 4.88 1.74 -1.26 -4.95 116.66 113.54 2pwe n ARG 70 Ca -0.00 -2.60 -0.23 0.00 -0.77 0.00 0.00 57.85 54.25 2pwe n ARG 70 Cb 0.13 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 29.77 2pwe n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pwe s GLU 71 N -1.97 1.09 0.47 5.56 0.41 -1.18 -5.07 118.70 118.01 2pwe s GLU 71 Ca 0.38 -1.16 -0.12 0.00 -0.41 0.00 0.00 54.97 53.66 2pwe s GLU 71 Cb 0.27 -1.28 -0.06 0.00 -1.78 0.00 0.00 34.13 31.28 2pwe s GLU 71 CO 0.15 0.29 0.86 0.14 -0.49 0.00 0.00 175.26 176.22 2pwe s VAL 72 N -1.32 4.71 0.20 2.63 -7.23 -1.26 -1.22 120.40 116.91 2pwe s VAL 72 Ca 0.06 0.78 -0.32 0.00 -1.81 0.00 0.00 61.98 60.70 2pwe s VAL 72 Cb -0.09 -3.76 -0.11 0.00 0.56 0.00 0.00 36.38 32.98 2pwe s VAL 72 CO 0.04 -0.68 1.63 -0.32 -0.31 0.00 0.00 175.10 175.46 2pwe s MET 73 N -4.16 4.17 0.25 4.82 1.75 0.37 -3.80 119.30 122.71 2pwe s MET 73 Ca 0.54 2.47 -0.03 0.00 -1.25 0.00 0.00 55.69 57.42 2pwe s MET 73 Cb -0.10 -3.11 0.49 0.00 2.84 0.00 0.00 34.83 34.95 2pwe s MET 73 CO 0.35 -0.66 1.74 1.57 -0.65 0.00 0.00 175.02 177.38 2pwe h LYS 74 N 6.55 0.50 0.00 4.11 -0.00 -1.87 -0.34 116.57 125.51 2pwe h LYS 74 Ca -0.43 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.65 60.18 2pwe h LYS 74 Cb 1.20 -0.11 -0.00 0.00 -0.00 0.00 0.00 32.23 33.32 2pwe h LYS 74 CO 0.92 0.33 -0.02 0.93 -0.00 0.00 0.00 179.45 181.60 2pwe h GLU 75 N 0.51 0.00 0.00 0.07 3.07 -1.96 -2.76 114.58 113.51 2pwe h GLU 75 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 2pwe h GLU 75 Cb 0.65 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 2pwe h GLU 75 CO -0.39 0.02 -0.82 1.88 -1.40 0.00 0.00 179.01 178.30 2pwe h TYR 76 N 0.00 0.00 0.00 4.33 0.05 -1.33 -3.43 116.97 116.59 2pwe h TYR 76 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2pwe h TYR 76 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2pwe h TYR 76 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2pwe n GLY 77 N 1.22 0.58 3.52 3.88 0.00 -1.04 -0.55 105.19 112.80 2pwe n GLY 77 Ca 0.01 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.34 2pwe n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwe s THR 78 N -4.00 1.24 0.52 2.61 -4.23 -1.26 -4.42 115.64 106.10 2pwe s THR 78 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2pwe s THR 78 Cb 0.00 -2.70 0.30 0.00 1.34 0.00 0.00 72.50 71.44 2pwe s THR 78 CO 0.00 0.00 2.12 -0.03 -0.54 0.00 0.00 174.62 176.17 2pwe h MET 79 N 1.92 0.00 -0.43 3.99 4.05 -1.97 -0.82 114.93 121.67 2pwe h MET 79 Ca -0.41 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.97 2pwe h MET 79 Cb 1.26 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.04 2pwe h MET 79 CO 0.70 0.00 0.09 1.49 0.23 0.00 0.00 176.91 179.42 2pwe h GLU 80 N 0.00 0.70 -0.65 0.39 4.81 -1.99 0.11 114.58 117.95 2pwe h GLU 80 Ca 0.05 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 2pwe h GLU 80 Cb 0.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2pwe h GLU 80 CO -0.00 0.72 0.27 -0.44 -0.73 0.00 0.00 179.01 178.83 2pwe h ASP 81 N 0.57 0.89 -0.32 1.04 3.32 -1.56 -0.44 116.42 119.91 2pwe h ASP 81 Ca 0.13 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2pwe h ASP 81 Cb 0.34 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2pwe h ASP 81 CO 0.00 0.81 0.21 0.15 -1.72 0.00 0.00 179.24 178.70 2pwe h PHE 82 N 0.92 0.40 -0.88 4.55 3.57 -0.92 0.77 116.94 125.35 2pwe h PHE 82 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2pwe h PHE 82 Cb 0.19 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2pwe h PHE 82 CO 0.01 0.25 0.58 -0.44 -2.23 0.00 0.00 178.31 176.48 2pwe h ASP 83 N 0.43 0.99 -0.20 0.41 3.32 -0.53 -1.07 116.42 119.76 2pwe h ASP 83 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2pwe h ASP 83 Cb -0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2pwe h ASP 83 CO -0.03 0.70 0.13 -0.09 -1.72 0.00 0.00 179.24 178.24 2pwe h ARG 84 N 1.16 0.27 -0.75 3.56 2.43 -0.41 -0.18 114.38 120.46 2pwe h ARG 84 Ca 0.33 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.57 2pwe h ARG 84 Cb -0.09 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 2pwe h ARG 84 CO -0.08 0.18 0.41 1.25 -1.51 0.00 0.00 179.97 180.22 2pwe h LEU 85 N 0.27 0.57 -0.22 3.80 5.85 -0.21 0.14 115.31 125.51 2pwe h LEU 85 Ca 0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2pwe h LEU 85 Cb -0.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2pwe h LEU 85 CO -0.02 0.34 0.13 0.24 -0.34 0.00 0.00 178.44 178.79 2pwe h MET 86 N 0.70 0.25 -0.42 1.25 2.86 -0.56 -0.77 114.93 118.25 2pwe h MET 86 Ca 0.36 -0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.86 2pwe h MET 86 Cb 0.33 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2pwe h MET 86 CO -0.24 0.17 -0.24 0.00 1.06 0.00 0.00 176.91 177.66 2pwe h ALA 87 N 1.10 0.79 0.00 6.32 0.00 -0.34 -1.92 119.26 125.22 2pwe h ALA 87 Ca 0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2pwe h ALA 87 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2pwe h ALA 87 CO -0.04 0.65 -0.41 0.93 0.00 0.00 0.00 179.25 180.38 2pwe h GLU 88 N 0.74 0.00 -0.10 0.00 4.39 -0.59 -1.38 114.58 117.64 2pwe h GLU 88 Ca 0.10 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 2pwe h GLU 88 Cb 0.78 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 2pwe h GLU 88 CO 0.06 0.41 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.16 2pwe h LEU 89 N 0.00 0.25 -0.90 1.33 3.38 -0.92 -3.10 115.31 115.35 2pwe h LEU 89 Ca -0.00 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.53 2pwe h LEU 89 Cb 0.76 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 2pwe h LEU 89 CO 0.05 0.69 0.57 0.50 0.09 0.00 0.00 178.44 180.34 2pwe h LYS 90 N -0.18 1.04 -0.48 1.13 3.64 -1.06 0.95 116.57 121.62 2pwe h LYS 90 Ca 0.02 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2pwe h LYS 90 Cb 0.61 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2pwe h LYS 90 CO 0.02 0.69 0.34 0.87 -2.27 0.00 0.00 179.45 179.10 2pwe h LYS 91 N 1.07 0.09 -0.66 1.90 1.57 -1.23 0.53 116.57 119.83 2pwe h LYS 91 Ca 0.38 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2pwe h LYS 91 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2pwe h LYS 91 CO -0.15 0.06 0.00 0.54 -0.57 0.00 0.00 179.45 179.33 2pwe n ARG 92 N -4.42 2.89 -2.41 3.15 1.74 -0.03 -4.92 116.66 112.65 2pwe n ARG 92 Ca 0.08 -2.49 -0.20 0.00 -0.77 0.00 0.00 57.85 54.48 2pwe n ARG 92 Cb 0.49 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 2pwe n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwe n GLY 93 N 1.40 -0.44 3.94 -0.13 0.00 0.18 -5.01 105.19 105.15 2pwe n GLY 93 Ca 0.23 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 2pwe n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwe s MET 94 N -5.02 3.37 0.17 1.61 1.00 0.12 -4.98 119.30 115.57 2pwe s MET 94 Ca 0.02 -0.75 0.10 0.00 0.00 0.00 0.00 55.69 55.07 2pwe s MET 94 Cb -0.01 -2.87 -0.04 0.00 0.00 0.00 0.00 34.83 31.91 2pwe s MET 94 CO 0.02 0.45 -0.20 1.03 0.00 0.00 0.00 175.02 176.33 2pwe s ARG 95 N -3.73 1.68 -0.12 2.03 0.52 -0.85 -3.92 118.95 114.56 2pwe s ARG 95 Ca 0.34 -1.39 -0.01 0.00 -0.52 0.00 0.00 55.73 54.16 2pwe s ARG 95 Cb -0.09 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.38 2pwe s ARG 95 CO 0.28 0.43 -0.10 -1.17 0.02 0.00 0.00 175.30 174.76 2pwe s LEU 96 N -2.56 2.92 -0.17 2.53 2.96 -1.26 -1.50 118.68 121.61 2pwe s LEU 96 Ca 0.21 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2pwe s LEU 96 Cb -0.09 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.94 2pwe s LEU 96 CO 0.11 0.21 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.90 2pwe s MET 97 N 0.07 3.26 0.28 1.98 -2.45 0.61 -1.46 119.30 121.59 2pwe s MET 97 Ca -0.03 -0.72 0.07 0.00 -1.25 0.00 0.00 55.69 53.76 2pwe s MET 97 Cb -0.14 -2.71 -0.03 0.00 1.25 0.00 0.00 34.83 33.20 2pwe s MET 97 CO 0.04 -0.01 0.29 0.14 1.05 0.00 0.00 175.02 176.52 2pwe s VAL 98 N 0.91 4.33 -0.04 10.11 -7.23 -0.29 -1.63 120.40 126.56 2pwe s VAL 98 Ca -0.03 -1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 58.69 2pwe s VAL 98 Cb -0.15 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 2pwe s VAL 98 CO -0.01 -0.28 0.54 -0.62 -0.31 0.00 0.00 175.10 174.42 2pwe s ASP 99 N -3.95 6.87 -0.27 4.85 -1.08 -1.17 -0.99 116.67 120.93 2pwe s ASP 99 Ca 0.37 1.04 -0.02 0.00 -0.52 0.00 0.00 52.55 53.42 2pwe s ASP 99 Cb -0.08 -2.33 0.04 0.00 -1.46 0.00 0.00 42.92 39.09 2pwe s ASP 99 CO 0.27 0.10 -0.03 -0.69 0.52 0.00 0.00 175.17 175.33 2pwe s VAL 100 N -0.05 2.92 -0.80 1.11 1.01 0.98 -4.75 120.40 120.82 2pwe s VAL 100 Ca 0.29 -1.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 2pwe s VAL 100 Cb -0.17 -2.57 0.20 0.00 0.00 0.00 0.00 36.38 33.84 2pwe s VAL 100 CO 0.15 0.06 0.67 -0.69 0.00 0.00 0.00 175.10 175.29 2pwe s VAL 101 N 1.29 4.32 -0.17 2.92 1.01 -1.26 -0.90 120.40 127.61 2pwe s VAL 101 Ca -0.02 -3.40 0.15 0.00 0.00 0.00 0.00 61.98 58.71 2pwe s VAL 101 Cb -0.18 -3.71 0.35 0.00 0.00 0.00 0.00 36.38 32.84 2pwe s VAL 101 CO -0.03 -1.01 1.19 2.30 0.00 0.00 0.00 175.10 177.54 2pwe n ILE 102 N 2.90 2.05 0.03 2.22 -5.35 -1.26 -4.40 119.36 115.56 2pwe n ILE 102 Ca 0.16 -2.74 -0.03 0.00 -0.27 0.00 0.00 62.75 59.87 2pwe n ILE 102 Cb 0.38 -0.24 -0.09 0.00 -1.74 0.00 0.00 39.64 37.96 2pwe n ILE 102 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2pwe h ASN 103 N 0.49 0.00 -5.04 7.28 -1.24 -1.89 -3.44 115.58 111.74 2pwe h ASN 103 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 2pwe h ASN 103 Cb 1.00 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 39.93 2pwe h ASN 103 CO 0.00 0.72 0.06 -1.38 -1.29 0.00 0.00 177.43 175.54 2pwe s HIS 104 N -2.82 -0.37 0.48 0.67 -3.43 -1.26 -0.72 115.29 107.84 2pwe s HIS 104 Ca -0.02 0.13 0.02 0.00 -0.80 0.00 0.00 55.06 54.38 2pwe s HIS 104 Cb 0.08 0.40 -0.01 0.00 -1.43 0.00 0.00 32.58 31.62 2pwe s HIS 104 CO 0.81 -0.76 0.05 -1.54 -2.00 0.00 0.00 174.74 171.29 2pwe s SER 105 N -2.72 3.72 0.61 7.38 1.04 -0.89 -4.79 113.70 118.04 2pwe s SER 105 Ca 0.02 -1.69 -0.15 0.00 0.48 0.00 0.00 55.95 54.61 2pwe s SER 105 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2pwe s SER 105 CO -0.12 -0.91 1.06 -0.55 0.98 0.00 0.00 173.24 173.70 2pwe s SER 106 N -3.80 5.75 0.00 7.02 0.15 0.27 -2.80 113.70 120.29 2pwe s SER 106 Ca 0.10 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.77 2pwe s SER 106 Cb 0.01 -2.53 1.37 0.00 -1.71 0.00 0.00 66.02 63.17 2pwe s SER 106 CO 0.06 -1.19 1.82 -0.90 1.20 0.00 0.00 173.24 174.23 2pwe n ASP 107 N -2.18 0.00 -0.85 5.45 5.75 -0.19 -2.05 116.55 122.48 2pwe n ASP 107 Ca 0.08 -0.48 0.12 0.00 -0.01 0.00 0.00 54.79 54.50 2pwe n ASP 107 Cb 0.53 -0.12 0.20 0.00 -1.03 0.00 0.00 41.12 40.71 2pwe n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwe n GLN 108 N -1.12 2.18 -2.03 0.11 1.13 -1.26 -4.40 117.38 111.98 2pwe n GLN 108 Ca 0.16 -1.71 -0.39 0.00 -1.94 0.00 0.00 57.00 53.12 2pwe n GLN 108 Cb 0.13 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.02 2pwe n GLN 108 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2pwe s HIS 109 N -1.99 2.70 0.52 1.08 2.46 -0.87 -4.86 115.29 114.33 2pwe s HIS 109 Ca 0.31 1.43 0.18 0.00 0.47 0.00 0.00 55.06 57.44 2pwe s HIS 109 Cb 0.20 -3.64 1.30 0.00 -0.13 0.00 0.00 32.58 30.32 2pwe s HIS 109 CO 0.31 -2.16 2.12 0.93 -2.47 0.00 0.00 174.74 173.47 2pwe h GLU 110 N 2.23 0.00 -0.85 2.88 4.39 -1.92 -1.54 114.58 119.78 2pwe h GLU 110 Ca -0.50 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.19 2pwe h GLU 110 Cb 1.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 2pwe h GLU 110 CO 0.61 0.00 0.48 -1.49 -1.16 0.00 0.00 179.01 177.44 2pwe h TRP 111 N 0.00 1.15 -0.08 4.33 6.55 -1.92 -1.70 115.95 124.28 2pwe h TRP 111 Ca 0.05 -0.02 -0.21 0.00 0.95 0.00 0.00 58.89 59.65 2pwe h TRP 111 Cb 0.18 -0.37 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 2pwe h TRP 111 CO 0.00 0.79 -0.81 0.35 -1.05 0.00 0.00 178.44 177.72 2pwe h PHE 112 N 1.18 0.75 -0.85 0.49 3.57 -1.61 0.36 116.94 120.82 2pwe h PHE 112 Ca 0.30 -0.35 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 2pwe h PHE 112 Cb 0.01 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2pwe h PHE 112 CO 0.00 1.15 0.50 0.87 -2.23 0.00 0.00 178.31 178.60 2pwe h LYS 113 N 0.35 1.17 0.06 1.11 1.57 -1.22 -0.16 116.57 119.45 2pwe h LYS 113 Ca -0.06 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2pwe h LYS 113 Cb 1.42 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2pwe h LYS 113 CO 0.15 0.84 -0.03 0.77 -0.57 0.00 0.00 179.45 180.61 2pwe h SER 114 N 1.18 -0.06 -0.62 0.86 0.02 -1.24 -3.15 113.55 110.52 2pwe h SER 114 Ca 0.30 -0.47 0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2pwe h SER 114 Cb -0.02 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2pwe h SER 114 CO -0.05 0.46 0.12 -1.28 -1.14 0.00 0.00 176.83 174.94 2pwe h SER 115 N -0.62 -0.03 0.93 3.07 0.87 -0.04 -2.32 113.55 115.41 2pwe h SER 115 Ca -0.01 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2pwe h SER 115 Cb 0.53 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2pwe h SER 115 CO 0.01 -0.01 0.00 -2.11 -0.53 0.00 0.00 176.83 174.19 2pwe n ARG 116 N -5.15 0.04 0.12 2.24 1.85 -0.09 -3.99 116.66 111.69 2pwe n ARG 116 Ca 0.10 0.11 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2pwe n ARG 116 Cb 0.35 -1.56 0.31 0.00 -1.05 0.00 0.00 32.46 30.50 2pwe n ARG 116 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2pwe h ALA 117 N 2.78 1.30 -2.90 2.89 0.00 -1.37 -3.43 119.26 118.53 2pwe h ALA 117 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2pwe h ALA 117 Cb 0.46 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2pwe h ALA 117 CO 0.00 0.49 0.03 -1.54 0.00 0.00 0.00 179.25 178.22 2pwe s SER 118 N -6.89 -0.17 0.37 0.00 1.04 -1.26 -4.92 113.70 101.88 2pwe s SER 118 Ca -0.04 -0.76 0.24 0.00 0.48 0.00 0.00 55.95 55.86 2pwe s SER 118 Cb 0.14 0.64 0.46 0.00 0.10 0.00 0.00 66.02 67.36 2pwe s SER 118 CO 0.75 -1.21 1.64 0.11 0.98 0.00 0.00 173.24 175.51 2pwe h LYS 119 N 2.16 0.00 -3.08 4.02 1.57 -1.90 -3.41 116.57 115.93 2pwe h LYS 119 Ca -0.24 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.92 2pwe h LYS 119 Cb 1.25 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.16 2pwe h LYS 119 CO 0.31 0.00 -0.70 -0.51 -0.57 0.00 0.00 179.45 177.98 2pwe s ASP 120 N -5.73 3.86 0.04 0.86 1.01 -1.26 -4.91 116.67 110.54 2pwe s ASP 120 Ca 0.08 -2.88 -0.13 0.00 0.71 0.00 0.00 52.55 50.33 2pwe s ASP 120 Cb 0.07 -1.24 0.02 0.00 1.01 0.00 0.00 42.92 42.77 2pwe s ASP 120 CO 0.65 -0.23 0.28 0.54 0.21 0.00 0.00 175.17 176.62 2pwe s ASN 121 N -0.03 -0.08 0.00 0.27 4.22 -1.26 -5.04 114.94 113.01 2pwe s ASN 121 Ca 0.19 -0.24 0.00 0.00 -2.14 0.00 0.00 52.86 50.67 2pwe s ASN 121 Cb -0.22 0.34 0.00 0.00 1.28 0.00 0.00 41.25 42.66 2pwe s ASN 121 CO -0.02 -0.60 0.96 -0.81 -2.04 0.00 0.00 177.10 174.58 2pwe n PRO 122 N 0.59 0.00 -0.05 3.55 -0.04 -1.26 -2.05 135.00 135.74 2pwe n PRO 122 Ca -0.19 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2pwe n PRO 122 Cb 0.59 -1.52 0.09 0.00 -0.04 0.00 0.00 33.50 32.62 2pwe n PRO 122 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwe n TYR 123 N -1.46 0.13 -0.26 0.54 4.01 -1.26 -4.60 117.16 114.26 2pwe n TYR 123 Ca 0.00 -0.11 0.01 0.00 -0.16 0.00 0.00 57.90 57.63 2pwe n TYR 123 Cb 0.02 -0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.18 2pwe n TYR 123 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2pwe h ARG 124 N 2.69 0.73 -0.74 -0.72 9.65 -1.62 -1.67 114.38 122.70 2pwe h ARG 124 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2pwe h ARG 124 Cb 0.63 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 2pwe h ARG 124 CO 0.00 0.48 0.00 -0.25 2.80 0.00 0.00 179.97 183.00 2pwe n ASP 125 N -4.76 2.88 -0.02 -3.80 8.00 -1.26 -3.42 116.55 114.17 2pwe n ASP 125 Ca 0.11 -2.34 0.14 0.00 0.71 0.00 0.00 54.79 53.41 2pwe n ASP 125 Cb 0.22 -0.52 0.69 0.00 -0.02 0.00 0.00 41.12 41.49 2pwe n ASP 125 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2pwe n TYR 126 N 0.31 0.00 -4.17 1.24 4.02 -0.63 -4.59 117.16 113.33 2pwe n TYR 126 Ca 0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.87 2pwe n TYR 126 Cb 0.61 -0.30 -0.05 0.00 -0.02 0.00 0.00 39.34 39.58 2pwe n TYR 126 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pwe n TYR 127 N -1.26 -0.67 -3.78 -0.72 4.02 -1.22 -1.27 117.16 112.26 2pwe n TYR 127 Ca 0.13 -2.03 -0.37 0.00 -0.01 0.00 0.00 57.90 55.62 2pwe n TYR 127 Cb 0.27 0.24 -0.13 0.00 -0.02 0.00 0.00 39.34 39.70 2pwe n TYR 127 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2pwe s PHE 128 N -3.06 3.18 -0.14 -0.72 0.08 -1.25 -4.66 117.98 111.41 2pwe s PHE 128 Ca 0.28 -1.24 0.01 0.00 0.12 0.00 0.00 56.93 56.10 2pwe s PHE 128 Cb 0.01 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.22 2pwe s PHE 128 CO 0.20 -0.66 -0.16 -1.58 -0.10 0.00 0.00 175.22 172.92 2pwe s TRP 129 N 1.43 2.76 0.03 0.36 0.52 -1.26 -1.89 118.94 120.89 2pwe s TRP 129 Ca 0.00 -0.91 -0.04 0.00 0.02 0.00 0.00 56.10 55.18 2pwe s TRP 129 Cb -0.18 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.28 2pwe s TRP 129 CO 0.02 -0.38 0.05 1.03 0.02 0.00 0.00 176.95 177.69 2pwe s ARG 130 N 0.59 0.49 0.31 4.98 1.81 0.66 -4.91 118.95 122.89 2pwe s ARG 130 Ca -0.09 -0.71 -0.29 0.00 -1.72 0.00 0.00 55.73 52.92 2pwe s ARG 130 Cb -0.16 0.19 -0.10 0.00 -0.45 0.00 0.00 34.95 34.43 2pwe s ARG 130 CO 0.03 -0.11 1.17 -0.51 -0.68 0.00 0.00 175.30 175.20 2pwe s ASP 131 N -1.90 7.04 1.06 0.23 1.01 -1.26 -0.42 116.67 122.43 2pwe s ASP 131 Ca -0.08 2.40 -0.13 0.00 0.71 0.00 0.00 52.55 55.45 2pwe s ASP 131 Cb -0.04 -2.63 0.23 0.00 1.01 0.00 0.00 42.92 41.49 2pwe s ASP 131 CO -0.03 -0.32 1.07 -0.83 0.21 0.00 0.00 175.17 175.27 2pwe s GLY 132 N -0.80 1.56 -0.02 0.21 0.00 -1.26 -4.23 107.32 102.77 2pwe s GLY 132 Ca 0.47 -0.28 0.07 0.00 0.00 0.00 0.00 44.72 44.98 2pwe s GLY 132 CO 0.44 0.38 -0.22 1.25 0.00 0.00 0.00 173.10 174.95 2pwe s LYS 133 N -4.78 2.19 0.00 2.90 2.20 -0.67 -4.78 119.74 116.80 2pwe s LYS 133 Ca 0.66 -0.88 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2pwe s LYS 133 Cb -0.21 -2.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.96 2pwe s LYS 133 CO 0.60 0.57 0.00 -0.40 -0.36 0.00 0.00 175.35 175.76 2pwe n ASP 134 N 2.24 0.00 0.00 1.43 5.68 -1.26 0.38 116.55 125.02 2pwe n ASP 134 Ca -0.16 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 2pwe n ASP 134 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2pwe n ASP 134 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pwe n GLY 135 N -0.32 2.13 0.00 6.12 0.00 -1.26 -4.93 105.19 106.93 2pwe n GLY 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pwe n GLY 135 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pwe n HIS 136 N -1.33 0.00 -0.86 1.61 1.44 0.16 -5.10 115.22 111.15 2pwe n HIS 136 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2pwe n HIS 136 Cb 0.00 0.00 0.15 0.00 0.12 0.00 0.00 29.99 30.26 2pwe n HIS 136 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2pwe s GLU 137 N 1.84 1.15 0.45 -1.40 8.01 -1.26 -1.67 118.70 125.81 2pwe s GLU 137 Ca 0.00 1.33 0.12 0.00 0.01 0.00 0.00 54.97 56.43 2pwe s GLU 137 Cb 0.00 -1.76 1.02 0.00 -4.31 0.00 0.00 34.13 29.09 2pwe s GLU 137 CO 0.00 -2.47 2.05 -1.35 0.01 0.00 0.00 175.26 173.50 2pwe h PRO 138 N -1.74 0.35 0.00 0.39 0.11 -1.87 -2.75 132.00 126.50 2pwe h PRO 138 Ca -0.45 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2pwe h PRO 138 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pwe h PRO 138 CO 0.46 0.23 0.07 0.27 -0.21 0.00 0.00 178.00 178.82 2pwe n ASN 139 N -4.48 -0.60 -1.05 -2.05 0.23 -1.26 -4.61 115.26 101.43 2pwe n ASN 139 Ca 0.04 -1.42 0.03 0.00 -0.53 0.00 0.00 54.58 52.70 2pwe n ASN 139 Cb 0.18 1.01 0.17 0.00 -2.08 0.00 0.00 39.78 39.05 2pwe n ASN 139 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2pwe n ASN 140 N -1.14 2.91 -4.68 0.53 6.94 -1.26 -4.96 115.26 113.60 2pwe n ASN 140 Ca -0.02 -2.37 -0.45 0.00 -0.02 0.00 0.00 54.58 51.72 2pwe n ASN 140 Cb 0.16 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 36.99 2pwe n ASN 140 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2pwe n TYR 141 N 0.27 2.47 -3.24 -2.53 4.02 -1.26 -4.87 117.16 112.02 2pwe n TYR 141 Ca 0.12 -0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.73 2pwe n TYR 141 Cb 0.62 -2.68 -0.00 0.00 -0.02 0.00 0.00 39.34 37.26 2pwe n TYR 141 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2pwe s PRO 142 N 2.89 3.24 0.05 -0.72 0.04 -1.26 -0.47 135.00 138.78 2pwe s PRO 142 Ca 0.85 -0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.39 2pwe s PRO 142 Cb -0.57 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2pwe s PRO 142 CO 0.42 -0.04 0.08 0.45 0.04 0.00 0.00 177.00 177.95 2pwe s SER 143 N -4.13 5.59 0.50 6.66 0.15 -0.14 -4.37 113.70 117.95 2pwe s SER 143 Ca 0.44 0.04 0.18 0.00 0.70 0.00 0.00 55.95 57.31 2pwe s SER 143 Cb -0.10 -1.53 1.26 0.00 -1.71 0.00 0.00 66.02 63.93 2pwe s SER 143 CO 0.36 0.20 2.10 -0.26 1.20 0.00 0.00 173.24 176.84 2pwe h PHE 144 N 3.53 0.00 -0.51 3.44 0.04 -1.32 -2.99 116.94 119.13 2pwe h PHE 144 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 2pwe h PHE 144 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 2pwe h PHE 144 CO 0.62 0.08 0.00 1.19 -0.60 0.00 0.00 178.31 179.59 2pwe n PHE 145 N -4.29 1.71 0.00 -0.55 3.72 -1.26 -4.88 117.46 111.90 2pwe n PHE 145 Ca -0.03 -0.75 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 2pwe n PHE 145 Cb 0.16 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 2pwe n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwe n GLY 146 N 0.42 2.78 7.00 1.37 0.00 -1.13 -3.99 105.19 111.64 2pwe n GLY 146 Ca 0.26 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2pwe n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwe n GLY 147 N 1.04 0.18 3.80 -0.02 0.00 -1.26 -4.50 105.19 104.42 2pwe n GLY 147 Ca 0.00 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 2pwe n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwe s SER 148 N -4.00 6.34 0.00 1.61 0.15 -1.26 -0.97 113.70 115.57 2pwe s SER 148 Ca 0.00 1.92 0.26 0.00 0.70 0.00 0.00 55.95 58.83 2pwe s SER 148 Cb 0.00 -2.56 1.33 0.00 -1.71 0.00 0.00 66.02 63.08 2pwe s SER 148 CO 0.00 -0.78 1.88 0.00 1.20 0.00 0.00 173.24 175.54 2pwe n ALA 149 N -0.98 2.62 -3.16 5.45 0.00 0.38 -4.37 120.51 120.46 2pwe n ALA 149 Ca 0.09 -0.29 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 2pwe n ALA 149 Cb 0.53 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 2pwe n ALA 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pwe s TRP 150 N -1.97 2.71 -0.15 0.00 0.52 -1.26 0.29 118.94 119.08 2pwe s TRP 150 Ca 0.39 -0.83 0.01 0.00 0.02 0.00 0.00 56.10 55.68 2pwe s TRP 150 Cb 0.19 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.72 2pwe s TRP 150 CO 0.31 -0.31 -0.17 -2.00 0.02 0.00 0.00 176.95 174.80 2pwe s GLU 151 N 0.38 3.16 0.27 4.98 2.56 -0.52 -4.91 118.70 124.62 2pwe s GLU 151 Ca -0.14 -0.78 -0.29 0.00 0.00 0.00 0.00 54.97 53.76 2pwe s GLU 151 Cb -0.17 -2.58 -0.09 0.00 2.00 0.00 0.00 34.13 33.29 2pwe s GLU 151 CO 0.07 -0.00 1.01 0.21 -0.56 0.00 0.00 175.26 175.99 2pwe s LYS 152 N 0.84 4.73 -0.24 4.30 2.20 -1.26 -0.95 119.74 129.37 2pwe s LYS 152 Ca -0.05 1.62 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 2pwe s LYS 152 Cb -0.15 -3.20 0.05 0.00 -1.51 0.00 0.00 37.83 33.01 2pwe s LYS 152 CO -0.01 0.36 -0.13 0.34 -0.36 0.00 0.00 175.35 175.55 2pwe s ASP 153 N -1.08 4.11 0.47 1.43 -1.08 -0.31 -4.96 116.67 115.25 2pwe s ASP 153 Ca 0.43 -1.16 0.32 0.00 -0.52 0.00 0.00 52.55 51.62 2pwe s ASP 153 Cb -0.28 -1.55 1.64 0.00 -1.46 0.00 0.00 42.92 41.27 2pwe s ASP 153 CO 0.35 -0.14 1.96 1.55 0.52 0.00 0.00 175.17 179.42 2pwe h PRO 154 N 7.84 0.00 -0.88 4.34 0.13 -1.94 0.32 132.00 141.81 2pwe h PRO 154 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2pwe h PRO 154 Cb 1.07 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.16 2pwe h PRO 154 CO 0.52 0.00 0.54 0.28 -0.23 0.00 0.00 178.00 179.11 2pwe h VAL 155 N 0.00 1.24 0.00 1.56 2.07 -1.94 -3.29 116.25 115.88 2pwe h VAL 155 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 2pwe h VAL 155 Cb 0.10 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 2pwe h VAL 155 CO 0.00 0.25 0.00 0.35 0.02 0.00 0.00 177.57 178.19 2pwe n THR 156 N -4.37 0.00 -0.98 2.57 -2.24 -1.04 -4.98 114.28 103.23 2pwe n THR 156 Ca 0.10 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 2pwe n THR 156 Cb 0.05 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 2pwe n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 157 N 0.91 0.81 3.95 3.38 0.00 0.11 -5.02 105.19 109.32 2pwe n GLY 157 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2pwe n GLY 157 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwe s GLN 158 N -0.07 2.84 -0.09 1.61 -0.21 -1.23 -4.67 119.66 117.83 2pwe s GLN 158 Ca 0.00 -1.24 -0.02 0.00 0.02 0.00 0.00 55.36 54.12 2pwe s GLN 158 Cb 0.00 -2.65 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 2pwe s GLN 158 CO 0.00 -0.09 0.00 0.71 -2.12 0.00 0.00 175.29 173.80 2pwe s TYR 159 N -2.31 3.17 0.03 0.91 1.51 0.44 -1.16 117.35 119.93 2pwe s TYR 159 Ca 0.48 0.17 0.02 0.00 -1.01 0.00 0.00 57.07 56.73 2pwe s TYR 159 Cb -0.08 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2pwe s TYR 159 CO 0.30 0.44 0.04 1.52 -1.11 0.00 0.00 175.55 176.75 2pwe s TYR 160 N -0.79 3.15 0.23 2.71 -0.85 -0.12 -0.24 117.35 121.44 2pwe s TYR 160 Ca 0.12 0.09 -0.30 0.00 -0.52 0.00 0.00 57.07 56.47 2pwe s TYR 160 Cb -0.11 -1.65 -0.09 0.00 0.38 0.00 0.00 41.96 40.48 2pwe s TYR 160 CO 0.02 0.50 0.94 -1.17 -1.52 0.00 0.00 175.55 174.33 2pwe s LEU 161 N -1.95 4.64 -0.29 -3.49 2.96 -0.79 -1.44 118.68 118.32 2pwe s LEU 161 Ca 0.24 1.95 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 2pwe s LEU 161 Cb -0.12 -3.61 0.17 0.00 0.50 0.00 0.00 46.19 43.13 2pwe s LEU 161 CO 0.16 0.14 0.45 -1.38 -1.32 0.00 0.00 176.35 174.40 2pwe s HIS 162 N -1.12 -1.21 0.33 5.38 -3.43 0.15 -1.69 115.29 113.70 2pwe s HIS 162 Ca 0.41 0.47 0.03 0.00 -0.80 0.00 0.00 55.06 55.17 2pwe s HIS 162 Cb -0.26 -0.04 0.58 0.00 -1.43 0.00 0.00 32.58 31.43 2pwe s HIS 162 CO 0.32 -1.02 1.91 1.88 -2.00 0.00 0.00 174.74 175.84 2pwe h TYR 163 N 8.07 0.68 0.00 0.38 0.05 -1.80 -3.40 116.97 120.95 2pwe h TYR 163 Ca -0.06 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.68 2pwe h TYR 163 Cb 1.14 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.66 2pwe h TYR 163 CO 0.27 0.55 0.00 1.19 -1.05 0.00 0.00 178.16 179.12 2pwe n PHE 164 N -4.34 0.00 -1.06 4.88 3.01 -1.26 -0.99 117.46 117.71 2pwe n PHE 164 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.18 2pwe n PHE 164 Cb 0.17 0.00 0.12 0.00 -0.01 0.00 0.00 39.48 39.76 2pwe n PHE 164 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2pwe s GLY 165 N 0.00 1.74 0.54 1.37 0.00 -1.26 -4.54 107.32 105.17 2pwe s GLY 165 Ca 0.00 0.45 0.24 0.00 0.00 0.00 0.00 44.72 45.41 2pwe s GLY 165 CO 0.00 0.83 2.06 3.21 0.00 0.00 0.00 173.10 179.20 2pwe h ARG 166 N -1.34 0.00 -0.65 2.90 3.08 -1.94 -0.49 114.38 115.94 2pwe h ARG 166 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2pwe h ARG 166 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2pwe h ARG 166 CO 0.47 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 180.41 2pwe n GLN 167 N -4.27 2.88 -3.25 0.04 6.02 -1.26 -4.36 117.38 113.18 2pwe n GLN 167 Ca 0.05 -1.77 -0.25 0.00 -0.01 0.00 0.00 57.00 55.02 2pwe n GLN 167 Cb 0.41 -1.75 -0.07 0.00 1.02 0.00 0.00 30.24 29.85 2pwe n GLN 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pwe n GLN 168 N 0.51 1.75 -1.91 -1.09 6.02 -0.19 -1.02 117.38 121.45 2pwe n GLN 168 Ca 0.16 -4.00 -0.42 0.00 -0.01 0.00 0.00 57.00 52.73 2pwe n GLN 168 Cb 0.67 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2pwe n GLN 168 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2pwe s PRO 169 N -2.10 4.21 0.16 -1.09 0.04 -1.12 -4.51 135.00 130.57 2pwe s PRO 169 Ca 0.39 2.40 -0.31 0.00 0.04 0.00 0.00 61.00 63.52 2pwe s PRO 169 Cb 0.20 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.53 2pwe s PRO 169 CO -0.07 -0.58 1.41 -0.51 0.04 0.00 0.00 177.00 177.29 2pwe s ASP 170 N 0.88 6.78 0.38 6.66 1.11 -0.68 -2.10 116.67 129.69 2pwe s ASP 170 Ca 0.67 2.43 -0.25 0.00 0.18 0.00 0.00 52.55 55.59 2pwe s ASP 170 Cb -0.44 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 40.86 2pwe s ASP 170 CO 0.36 -0.66 1.04 -0.76 1.18 0.00 0.00 175.17 176.33 2pwe s LEU 171 N 0.70 4.19 -0.81 1.23 1.43 0.10 -3.96 118.68 121.55 2pwe s LEU 171 Ca 0.63 2.03 -0.17 0.00 -1.03 0.00 0.00 54.13 55.60 2pwe s LEU 171 Cb -0.39 -4.13 0.16 0.00 0.03 0.00 0.00 46.19 41.87 2pwe s LEU 171 CO 0.33 -0.42 0.89 0.21 0.23 0.00 0.00 176.35 177.60 2pwe s ASN 172 N -1.52 6.58 0.12 2.29 3.84 -0.39 -4.88 114.94 120.97 2pwe s ASN 172 Ca 0.56 -2.15 0.15 0.00 0.21 0.00 0.00 52.86 51.62 2pwe s ASN 172 Cb -0.22 -2.30 0.67 0.00 -0.55 0.00 0.00 41.25 38.84 2pwe s ASN 172 CO 0.28 -0.89 1.46 0.79 -2.79 0.00 0.00 177.10 175.96 2pwe n TRP 173 N 5.50 0.33 0.73 0.43 7.02 -1.26 -2.33 117.44 127.86 2pwe n TRP 173 Ca 0.12 0.14 0.11 0.00 -1.02 0.00 0.00 57.50 56.85 2pwe n TRP 173 Cb 0.47 -0.73 0.47 0.00 -2.42 0.00 0.00 31.31 29.09 2pwe n TRP 173 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2pwe n ASP 174 N -1.81 0.08 -4.44 -0.99 8.00 -1.26 -4.60 116.55 111.52 2pwe n ASP 174 Ca 0.02 0.51 -0.44 0.00 0.71 0.00 0.00 54.79 55.59 2pwe n ASP 174 Cb 0.13 -0.53 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 2pwe n ASP 174 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pwe s THR 175 N -3.02 5.12 0.27 -3.53 2.01 -0.98 -4.98 115.64 110.53 2pwe s THR 175 Ca 0.10 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 2pwe s THR 175 Cb 0.14 -4.11 0.30 0.00 0.01 0.00 0.00 72.50 68.84 2pwe s THR 175 CO 0.41 -0.54 1.64 -0.65 -0.69 0.00 0.00 174.62 174.79 2pwe h PRO 176 N 8.78 0.16 -0.66 4.92 0.11 -1.89 0.42 132.00 143.85 2pwe h PRO 176 Ca -0.27 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.87 2pwe h PRO 176 Cb 1.11 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2pwe h PRO 176 CO 0.85 0.11 0.43 -0.22 -0.21 0.00 0.00 178.00 178.96 2pwe h LYS 177 N 0.17 0.71 -0.26 1.05 3.64 -1.96 0.29 116.57 120.22 2pwe h LYS 177 Ca 0.51 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.71 2pwe h LYS 177 Cb 0.98 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2pwe h LYS 177 CO -0.67 0.47 -0.34 1.25 -2.27 0.00 0.00 179.45 177.89 2pwe h LEU 178 N 0.73 0.75 -1.22 5.20 7.12 -1.25 -2.20 115.31 124.45 2pwe h LEU 178 Ca 0.27 -0.50 0.00 0.00 0.13 0.00 0.00 57.88 57.78 2pwe h LEU 178 Cb 0.15 -0.21 -0.04 0.00 -0.53 0.00 0.00 40.66 40.03 2pwe h LEU 178 CO -0.08 1.10 0.48 0.03 -0.13 0.00 0.00 178.44 179.84 2pwe h ARG 179 N 0.42 1.00 -0.33 1.25 3.08 -0.54 -1.76 114.38 117.51 2pwe h ARG 179 Ca 0.03 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 2pwe h ARG 179 Cb 0.93 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2pwe h ARG 179 CO 0.08 0.68 -0.10 0.93 -1.07 0.00 0.00 179.97 180.50 2pwe h GLU 180 N 1.03 0.56 -0.54 0.04 4.39 -0.85 -1.07 114.58 118.14 2pwe h GLU 180 Ca 0.27 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2pwe h GLU 180 Cb -0.08 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2pwe h GLU 180 CO -0.06 0.66 -0.08 0.93 -1.16 0.00 0.00 179.01 179.31 2pwe h GLU 181 N 0.52 0.99 -0.71 2.33 4.39 -0.70 -1.78 114.58 119.63 2pwe h GLU 181 Ca 0.10 -0.34 -0.07 0.00 0.34 0.00 0.00 59.36 59.39 2pwe h GLU 181 Cb 0.48 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2pwe h GLU 181 CO 0.03 1.02 0.17 -0.07 -1.16 0.00 0.00 179.01 179.00 2pwe h LEU 182 N 0.89 1.06 -0.54 1.33 3.38 -0.86 -1.53 115.31 119.05 2pwe h LEU 182 Ca 0.15 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2pwe h LEU 182 Cb 0.62 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2pwe h LEU 182 CO 0.04 1.02 -0.07 1.88 0.09 0.00 0.00 178.44 181.39 2pwe h TYR 183 N 1.07 1.12 -0.44 1.13 0.05 -0.96 -1.63 116.97 117.29 2pwe h TYR 183 Ca 0.22 -0.22 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 2pwe h TYR 183 Cb 0.37 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 2pwe h TYR 183 CO 0.03 1.03 0.03 0.00 -1.05 0.00 0.00 178.16 178.19 2pwe h ALA 184 N 0.93 1.22 -0.53 3.88 0.00 -1.12 -1.84 119.26 121.80 2pwe h ALA 184 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2pwe h ALA 184 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2pwe h ALA 184 CO 0.04 0.52 0.02 1.98 0.00 0.00 0.00 179.25 181.81 2pwe h MET 185 N 0.67 0.93 -0.59 0.00 1.85 -1.00 -2.18 114.93 114.60 2pwe h MET 185 Ca 0.14 -0.29 -0.04 0.00 -0.61 0.00 0.00 59.70 58.91 2pwe h MET 185 Cb 0.38 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 2pwe h MET 185 CO 0.01 0.94 0.23 -0.07 -0.40 0.00 0.00 176.91 177.62 2pwe h LEU 186 N 0.81 0.83 -1.62 3.39 3.38 -0.88 -2.37 115.31 118.84 2pwe h LEU 186 Ca 0.15 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2pwe h LEU 186 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2pwe h LEU 186 CO 0.02 0.78 0.04 0.03 0.09 0.00 0.00 178.44 179.40 2pwe h ARG 187 N 0.82 0.28 -0.70 1.13 3.08 -1.13 0.31 114.38 118.18 2pwe h ARG 187 Ca 0.20 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.25 2pwe h ARG 187 Cb 0.22 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 2pwe h ARG 187 CO -0.01 0.27 0.43 0.35 -1.07 0.00 0.00 179.97 179.94 2pwe h PHE 188 N 0.28 0.80 0.22 3.04 3.57 -0.85 0.28 116.94 124.28 2pwe h PHE 188 Ca 0.07 0.02 -0.32 0.00 3.53 0.00 0.00 57.97 61.27 2pwe h PHE 188 Cb 0.13 -0.26 0.03 0.00 2.79 0.00 0.00 35.95 38.64 2pwe h PHE 188 CO 0.00 0.44 -1.41 -1.49 -2.23 0.00 0.00 178.31 173.61 2pwe h TRP 189 N 0.82 0.87 -0.68 0.41 4.06 -1.27 -3.29 115.95 116.88 2pwe h TRP 189 Ca 0.29 -0.63 -0.01 0.00 2.06 0.00 0.00 58.89 60.60 2pwe h TRP 189 Cb 0.07 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 2pwe h TRP 189 CO -0.05 1.49 0.37 -0.07 -3.56 0.00 0.00 178.44 176.62 2pwe h LEU 190 N 0.14 0.83 -2.15 -4.49 3.38 -0.69 -1.58 115.31 110.75 2pwe h LEU 190 Ca -0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 2pwe h LEU 190 Cb 2.11 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 2pwe h LEU 190 CO 0.26 0.67 -0.07 0.44 0.09 0.00 0.00 178.44 179.83 2pwe h ASP 191 N 0.94 0.00 0.43 -0.43 3.32 -0.54 -0.75 116.42 119.40 2pwe h ASP 191 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2pwe h ASP 191 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2pwe h ASP 191 CO -0.04 0.07 -0.06 0.29 -1.72 0.00 0.00 179.24 177.78 2pwe n LYS 192 N -3.52 0.59 0.00 3.56 5.02 -0.60 -4.92 118.16 118.30 2pwe n LYS 192 Ca -0.02 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 2pwe n LYS 192 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 2pwe n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwe n GLY 193 N 1.27 0.64 3.60 0.72 0.00 -0.29 -5.06 105.19 106.07 2pwe n GLY 193 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 2pwe n GLY 193 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2pwe n VAL 194 N -1.76 0.38 0.66 1.61 0.31 -1.21 -4.87 118.33 113.45 2pwe n VAL 194 Ca 0.00 -0.09 0.12 0.00 -0.01 0.00 0.00 64.34 64.35 2pwe n VAL 194 Cb 0.00 -0.96 0.16 0.00 -0.91 0.00 0.00 33.84 32.13 2pwe n VAL 194 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2pwe n SER 195 N 2.42 0.63 -3.46 4.52 7.64 -0.53 -4.77 113.62 120.07 2pwe n SER 195 Ca 0.17 -0.02 -0.13 0.00 1.01 0.00 0.00 58.87 59.89 2pwe n SER 195 Cb 0.23 0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2pwe n SER 195 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2pwe s GLY 196 N -3.52 -0.59 -0.02 0.23 0.00 -0.86 -1.06 107.32 101.50 2pwe s GLY 196 Ca 0.07 0.67 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2pwe s GLY 196 CO 0.73 0.33 -0.02 1.06 0.00 0.00 0.00 173.10 175.21 2pwe s MET 197 N -3.10 0.33 -0.24 2.90 1.00 -0.31 -1.13 119.30 118.74 2pwe s MET 197 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 55.69 55.59 2pwe s MET 197 Cb -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 34.83 34.38 2pwe s MET 197 CO -0.07 -0.05 0.04 0.50 0.00 0.00 0.00 175.02 175.43 2pwe s ARG 198 N 0.59 3.57 -0.43 2.03 3.00 -0.16 -1.38 118.95 126.18 2pwe s ARG 198 Ca -0.06 -0.52 -0.21 0.00 -1.00 0.00 0.00 55.73 53.94 2pwe s ARG 198 Cb -0.09 -3.23 0.02 0.00 0.00 0.00 0.00 34.95 31.65 2pwe s ARG 198 CO -0.01 -0.19 0.69 -0.06 0.00 0.00 0.00 175.30 175.73 2pwe s PHE 199 N 1.57 3.06 0.24 5.12 0.40 0.79 -0.01 117.98 129.15 2pwe s PHE 199 Ca 0.06 0.10 -0.31 0.00 -0.60 0.00 0.00 56.93 56.17 2pwe s PHE 199 Cb -0.15 -3.41 -0.12 0.00 0.51 0.00 0.00 43.02 39.85 2pwe s PHE 199 CO 0.02 -0.86 1.60 -3.47 0.70 0.00 0.00 175.22 173.21 2pwe n ASP 200 N 6.36 3.60 -3.76 1.36 2.03 -0.08 -0.90 116.55 125.17 2pwe n ASP 200 Ca -0.00 1.11 -0.21 0.00 0.52 0.00 0.00 54.79 56.21 2pwe n ASP 200 Cb 0.48 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 39.35 2pwe n ASP 200 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2pwe n THR 201 N 2.80 -1.31 0.27 5.18 5.66 -1.22 -4.65 114.28 121.02 2pwe n THR 201 Ca 0.12 -0.23 0.15 0.00 -3.05 0.00 0.00 64.05 61.04 2pwe n THR 201 Cb 0.34 -1.12 0.75 0.00 -1.55 0.00 0.00 70.33 68.75 2pwe n THR 201 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2pwe h VAL 202 N 0.34 0.36 -0.00 1.08 3.04 -1.31 -3.02 116.25 116.74 2pwe h VAL 202 Ca -0.34 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 2pwe h VAL 202 Cb 0.68 1.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2pwe h VAL 202 CO 0.24 0.09 -0.07 0.00 -1.01 0.00 0.00 177.57 176.82 2pwe n ALA 203 N -2.20 2.64 0.16 3.17 0.00 -1.26 -3.90 120.51 119.13 2pwe n ALA 203 Ca -0.01 -0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.34 2pwe n ALA 203 Cb 0.26 -1.41 0.24 0.00 0.00 0.00 0.00 19.45 18.54 2pwe n ALA 203 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pwe n THR 204 N -1.15 0.61 -0.31 0.00 -2.24 -1.14 -4.24 114.28 105.80 2pwe n THR 204 Ca 0.14 -0.80 -0.01 0.00 -2.27 0.00 0.00 64.05 61.11 2pwe n THR 204 Cb 0.26 0.89 0.12 0.00 -2.10 0.00 0.00 70.33 69.51 2pwe n THR 204 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pwe h TYR 205 N 4.50 1.02 -3.36 4.78 0.05 -1.77 -3.41 116.97 118.78 2pwe h TYR 205 Ca 0.00 0.03 -0.58 0.00 0.05 0.00 0.00 58.73 58.23 2pwe h TYR 205 Cb 1.00 -0.34 -0.07 0.00 1.01 0.00 0.00 36.73 38.33 2pwe h TYR 205 CO 0.30 0.57 0.17 0.45 -1.05 0.00 0.00 178.16 178.60 2pwe s SER 206 N -5.85 6.86 0.19 3.88 0.15 -1.26 -4.48 113.70 113.19 2pwe s SER 206 Ca -0.13 1.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 2pwe s SER 206 Cb 0.17 -2.40 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 2pwe s SER 206 CO 0.79 -0.24 0.39 -0.54 1.20 0.00 0.00 173.24 174.85 2pwe s LYS 207 N 1.53 3.54 -0.15 5.44 3.01 -1.26 -3.43 119.74 128.41 2pwe s LYS 207 Ca 0.34 -0.28 -0.29 0.00 -1.01 0.00 0.00 55.97 54.73 2pwe s LYS 207 Cb -0.17 -2.83 -0.01 0.00 -1.01 0.00 0.00 37.83 33.81 2pwe s LYS 207 CO 0.14 0.40 1.13 0.99 0.51 0.00 0.00 175.35 178.52 2pwe s THR 208 N -1.84 4.50 0.27 2.17 2.01 -1.26 -4.51 115.64 116.98 2pwe s THR 208 Ca 0.39 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.90 2pwe s THR 208 Cb -0.11 -4.16 -0.14 0.00 0.01 0.00 0.00 72.50 68.10 2pwe s THR 208 CO 0.28 -0.10 1.22 -2.65 -0.69 0.00 0.00 174.62 172.69 2pwe n PRO 209 N 5.94 1.73 0.00 4.92 -0.02 -1.26 -1.45 135.00 144.86 2pwe n PRO 209 Ca 0.12 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2pwe n PRO 209 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 2pwe n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwe n GLY 210 N 1.49 2.87 3.97 -1.23 0.00 -1.26 -4.45 105.19 106.57 2pwe n GLY 210 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2pwe n GLY 210 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pwe n PHE 211 N -2.00 -1.63 -1.25 1.61 3.72 -0.53 -4.92 117.46 112.46 2pwe n PHE 211 Ca 0.00 0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 57.80 2pwe n PHE 211 Cb 0.00 -3.64 0.11 0.00 -0.94 0.00 0.00 39.48 35.01 2pwe n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pwe s PRO 212 N -6.59 1.89 0.55 -1.08 0.04 -1.26 -4.75 135.00 123.80 2pwe s PRO 212 Ca 0.04 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 2pwe s PRO 212 Cb -0.01 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2pwe s PRO 212 CO 0.90 -1.86 1.25 -0.51 0.04 0.00 0.00 177.00 176.82 2pwe s ASP 213 N -3.43 5.39 0.42 6.66 1.01 -1.26 -4.88 116.67 120.58 2pwe s ASP 213 Ca 0.62 2.51 -0.22 0.00 0.71 0.00 0.00 52.55 56.17 2pwe s ASP 213 Cb -0.17 -2.61 -0.11 0.00 1.01 0.00 0.00 42.92 41.04 2pwe s ASP 213 CO 0.56 -1.47 0.96 -0.76 0.21 0.00 0.00 175.17 174.67 2pwe s LEU 214 N -3.68 3.99 0.68 1.23 1.43 -1.26 -5.02 118.68 116.05 2pwe s LEU 214 Ca 0.73 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2pwe s LEU 214 Cb -0.34 -4.46 -0.00 0.00 0.03 0.00 0.00 46.19 41.42 2pwe s LEU 214 CO 0.39 -0.36 1.06 0.42 0.23 0.00 0.00 176.35 178.08 2pwe s THR 215 N -2.07 4.10 0.29 5.49 -4.23 -1.26 -4.76 115.64 113.20 2pwe s THR 215 Ca 0.61 0.68 0.05 0.00 -1.18 0.00 0.00 61.69 61.84 2pwe s THR 215 Cb -0.11 -3.53 0.29 0.00 1.34 0.00 0.00 72.50 70.49 2pwe s THR 215 CO 0.15 -0.89 1.76 -0.65 -0.54 0.00 0.00 174.62 174.46 2pwe h PRO 216 N -0.62 0.68 -0.11 3.99 0.11 -1.99 0.19 132.00 134.25 2pwe h PRO 216 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2pwe h PRO 216 Cb 1.21 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pwe h PRO 216 CO 0.59 0.45 0.04 0.93 -0.21 0.00 0.00 178.00 179.80 2pwe h GLU 217 N 0.70 0.16 -0.27 1.05 3.07 -2.01 -2.70 114.58 114.59 2pwe h GLU 217 Ca 0.56 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.36 2pwe h GLU 217 Cb 0.88 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 2pwe h GLU 217 CO -0.40 0.28 0.05 1.96 -1.40 0.00 0.00 179.01 179.51 2pwe h GLN 218 N 0.01 0.39 0.00 2.33 4.20 -1.42 -1.96 115.11 118.66 2pwe h GLN 218 Ca 0.04 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2pwe h GLN 218 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2pwe h GLN 218 CO -0.00 0.38 -0.23 0.52 -0.67 0.00 0.00 178.83 178.83 2pwe h MET 219 N 0.39 0.00 0.00 1.46 2.86 -0.40 -0.36 114.93 118.88 2pwe h MET 219 Ca 0.09 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 2pwe h MET 219 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2pwe h MET 219 CO -0.00 0.23 -0.23 0.87 1.06 0.00 0.00 176.91 178.84 2pwe h LYS 220 N 0.00 0.00 -2.00 1.72 6.56 -1.11 -3.31 116.57 118.42 2pwe h LYS 220 Ca -0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.09 2pwe h LYS 220 Cb 0.49 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 31.75 2pwe h LYS 220 CO 0.03 0.23 -1.18 -1.71 -2.06 0.00 0.00 179.45 174.76 2pwe n ASN 221 N -3.38 0.78 0.26 0.86 4.05 -0.66 -4.71 115.26 112.46 2pwe n ASN 221 Ca 0.00 -2.97 0.13 0.00 0.45 0.00 0.00 54.58 52.20 2pwe n ASN 221 Cb 0.44 -0.62 0.73 0.00 1.23 0.00 0.00 39.78 41.55 2pwe n ASN 221 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 177.26 176.40 2pwe h PHE 222 N 3.16 0.00 -0.94 1.20 -5.15 -1.20 -2.18 116.94 111.82 2pwe h PHE 222 Ca 0.10 0.00 0.05 0.00 -0.20 0.00 0.00 57.97 57.92 2pwe h PHE 222 Cb 0.95 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.06 2pwe h PHE 222 CO 0.45 0.11 0.61 0.00 -2.00 0.00 0.00 178.31 177.49 2pwe h ALA 223 N 1.89 1.44 -0.28 12.09 0.00 -1.92 -1.72 119.26 130.75 2pwe h ALA 223 Ca -0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2pwe h ALA 223 Cb 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2pwe h ALA 223 CO 0.01 0.44 -0.54 1.49 0.00 0.00 0.00 179.25 180.66 2pwe h GLU 224 N 1.13 0.83 -0.76 0.00 4.81 -1.48 -3.09 114.58 116.02 2pwe h GLU 224 Ca 0.39 -0.53 0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2pwe h GLU 224 Cb 0.10 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2pwe h GLU 224 CO -0.13 1.16 0.50 0.00 -0.73 0.00 0.00 179.01 179.81 2pwe h ALA 225 N 0.73 1.56 0.00 2.92 0.00 -1.36 -1.35 119.26 121.77 2pwe h ALA 225 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pwe h ALA 225 Cb 1.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2pwe h ALA 225 CO 0.12 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.38 2pwe n TYR 226 N -4.46 0.00 0.31 0.00 4.01 -0.72 -2.27 117.16 114.03 2pwe n TYR 226 Ca 0.10 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.95 2pwe n TYR 226 Cb 0.13 -0.46 0.27 0.00 -0.31 0.00 0.00 39.34 38.97 2pwe n TYR 226 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2pwe n THR 227 N -1.46 0.61 -1.19 -0.72 -2.24 -0.51 -4.27 114.28 104.50 2pwe n THR 227 Ca 0.05 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 61.01 2pwe n THR 227 Cb 0.19 0.65 0.24 0.00 -2.10 0.00 0.00 70.33 69.31 2pwe n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwe n GLN 228 N 1.26 2.79 -1.81 -0.78 1.13 -0.96 -4.87 117.38 114.13 2pwe n GLN 228 Ca 0.20 -3.07 -0.41 0.00 -1.94 0.00 0.00 57.00 51.78 2pwe n GLN 228 Cb 0.53 -2.08 -0.01 0.00 0.11 0.00 0.00 30.24 28.80 2pwe n GLN 228 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2pwe s GLY 229 N -1.56 2.68 0.40 1.08 0.00 -1.22 -4.90 107.32 103.81 2pwe s GLY 229 Ca 0.52 1.56 0.29 0.00 0.00 0.00 0.00 44.72 47.09 2pwe s GLY 229 CO 0.09 2.34 1.86 -0.56 0.00 0.00 0.00 173.10 176.83 2pwe h PRO 230 N 3.60 0.00 -0.40 2.90 0.13 -1.84 -3.17 132.00 133.22 2pwe h PRO 230 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2pwe h PRO 230 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2pwe h PRO 230 CO 0.69 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.55 2pwe n ASN 231 N -2.61 3.07 -0.09 1.44 3.02 -1.26 -4.74 115.26 114.09 2pwe n ASN 231 Ca 0.01 -1.96 -0.09 0.00 -0.03 0.00 0.00 54.58 52.51 2pwe n ASN 231 Cb 0.23 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 2pwe n ASN 231 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2pwe h LEU 232 N 2.58 -1.13 -0.87 3.41 5.85 -1.89 -0.45 115.31 122.80 2pwe h LEU 232 Ca 0.00 0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2pwe h LEU 232 Cb 0.77 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2pwe h LEU 232 CO 0.00 -0.34 -0.50 0.45 -0.34 0.00 0.00 178.44 177.71 2pwe h HIS 233 N -0.31 0.00 -0.30 1.25 3.86 -1.87 -1.32 115.15 116.46 2pwe h HIS 233 Ca 0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 2pwe h HIS 233 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2pwe h HIS 233 CO -0.52 0.50 0.10 -0.09 0.86 0.00 0.00 177.93 178.77 2pwe h ARG 234 N 0.00 0.46 -0.46 2.45 2.43 -1.79 0.63 114.38 118.09 2pwe h ARG 234 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2pwe h ARG 234 Cb 0.98 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2pwe h ARG 234 CO 0.06 0.51 0.26 1.88 -1.51 0.00 0.00 179.97 181.17 2pwe h TYR 235 N 0.32 0.63 -0.30 2.20 0.05 -0.65 -1.07 116.97 118.16 2pwe h TYR 235 Ca 0.10 -0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.78 2pwe h TYR 235 Cb 0.24 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 2pwe h TYR 235 CO 0.00 0.47 -0.18 -0.07 -1.05 0.00 0.00 178.16 177.33 2pwe h LEU 236 N 0.61 0.53 -0.72 3.88 3.38 -1.07 -1.68 115.31 120.24 2pwe h LEU 236 Ca 0.16 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2pwe h LEU 236 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2pwe h LEU 236 CO -0.03 0.73 -0.47 1.56 0.09 0.00 0.00 178.44 180.32 2pwe h GLN 237 N 0.49 0.41 -0.40 1.13 4.20 -0.61 -1.55 115.11 118.77 2pwe h GLN 237 Ca 0.08 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 2pwe h GLN 237 Cb 0.59 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2pwe h GLN 237 CO 0.04 0.80 -0.03 1.49 -0.67 0.00 0.00 178.83 180.46 2pwe h GLU 238 N 0.33 0.73 -0.72 1.46 4.81 -0.91 -0.86 114.58 119.41 2pwe h GLU 238 Ca 0.02 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2pwe h GLU 238 Cb 0.95 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2pwe h GLU 238 CO 0.08 0.83 0.40 1.98 -0.73 0.00 0.00 179.01 181.58 2pwe h MET 239 N 0.55 1.01 -0.39 1.92 4.05 -1.12 0.26 114.93 121.22 2pwe h MET 239 Ca 0.11 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2pwe h MET 239 Cb 0.52 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2pwe h MET 239 CO 0.03 0.74 0.17 1.25 0.23 0.00 0.00 176.91 179.33 2pwe h HIS 240 N 1.00 0.57 -0.47 1.39 -0.00 -1.07 -0.10 115.15 116.47 2pwe h HIS 240 Ca 0.26 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.55 2pwe h HIS 240 Cb 0.02 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 2pwe h HIS 240 CO -0.00 0.50 0.14 1.49 -0.00 0.00 0.00 177.93 180.05 2pwe h GLU 241 N 0.48 0.73 0.00 5.26 4.81 -0.72 0.52 114.58 125.67 2pwe h GLU 241 Ca 0.13 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2pwe h GLU 241 Cb 0.15 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2pwe h GLU 241 CO -0.01 0.71 -0.47 0.87 -0.73 0.00 0.00 179.01 179.38 2pwe h LYS 242 N 0.62 0.00 0.00 1.92 1.57 -0.90 -3.41 116.57 116.37 2pwe h LYS 242 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2pwe h LYS 242 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2pwe h LYS 242 CO -0.00 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.16 2pwe n VAL 243 N -2.88 0.00 0.25 0.50 0.31 -0.06 -4.85 118.33 111.60 2pwe n VAL 243 Ca 0.02 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.53 2pwe n VAL 243 Cb 0.54 -0.71 0.90 0.00 -0.91 0.00 0.00 33.84 33.67 2pwe n VAL 243 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2pwe h PHE 244 N 0.00 0.00 -0.06 3.52 0.04 -1.51 0.25 116.94 119.17 2pwe h PHE 244 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2pwe h PHE 244 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2pwe h PHE 244 CO 0.00 0.00 -0.02 0.22 -0.60 0.00 0.00 178.31 177.91 2pwe h ASP 245 N 0.00 0.08 -0.10 2.17 1.82 -1.13 -2.38 116.42 116.89 2pwe h ASP 245 Ca 0.05 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2pwe h ASP 245 Cb 0.42 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.41 2pwe h ASP 245 CO -0.00 0.11 0.00 1.41 -1.61 0.00 0.00 179.24 179.15 2pwe n HIS 246 N -4.46 0.11 -4.55 0.28 8.25 0.86 -4.95 115.22 110.76 2pwe n HIS 246 Ca -0.02 -0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 2pwe n HIS 246 Cb 0.13 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.17 2pwe n HIS 246 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2pwe n TYR 247 N 0.56 0.31 -1.15 4.41 4.02 -0.90 -5.05 117.16 119.36 2pwe n TYR 247 Ca 0.17 -2.62 0.06 0.00 -0.01 0.00 0.00 57.90 55.51 2pwe n TYR 247 Cb 0.42 -0.06 0.21 0.00 -0.02 0.00 0.00 39.34 39.88 2pwe n TYR 247 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2pwe n ASP 248 N -1.48 2.96 -4.86 7.72 -0.08 -1.26 -4.96 116.55 114.58 2pwe n ASP 248 Ca -0.08 -3.26 -0.32 0.00 -1.51 0.00 0.00 54.79 49.62 2pwe n ASP 248 Cb 0.62 -0.52 -0.05 0.00 2.34 0.00 0.00 41.12 43.50 2pwe n ASP 248 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pwe s ALA 249 N -2.96 3.35 0.03 -1.67 0.00 -1.26 -4.97 121.76 114.27 2pwe s ALA 249 Ca 0.39 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 2pwe s ALA 249 Cb 0.34 -2.73 -0.06 0.00 0.00 0.00 0.00 23.12 20.67 2pwe s ALA 249 CO 0.04 0.24 0.44 0.54 0.00 0.00 0.00 175.76 177.02 2pwe s VAL 250 N -2.09 4.99 -0.05 0.00 0.11 -0.22 -4.93 120.40 118.20 2pwe s VAL 250 Ca 0.53 0.83 0.04 0.00 -2.93 0.00 0.00 61.98 60.45 2pwe s VAL 250 Cb -0.10 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2pwe s VAL 250 CO 0.22 0.51 -0.16 0.42 -3.33 0.00 0.00 175.10 172.75 2pwe s THR 251 N -1.16 2.88 -0.09 5.04 -4.23 -1.26 -1.17 115.64 115.65 2pwe s THR 251 Ca 0.27 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2pwe s THR 251 Cb -0.17 -2.11 0.03 0.00 1.34 0.00 0.00 72.50 71.59 2pwe s THR 251 CO 0.15 0.59 -0.01 0.00 -0.54 0.00 0.00 174.62 174.81 2pwe s ALA 252 N -0.65 0.82 -0.14 3.99 0.00 -0.48 -1.27 121.76 124.02 2pwe s ALA 252 Ca 0.10 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.67 2pwe s ALA 252 Cb -0.11 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.16 2pwe s ALA 252 CO 0.01 -0.51 0.34 0.20 0.00 0.00 0.00 175.76 175.79 2pwe s GLY 253 N 1.92 2.26 -0.81 0.00 0.00 -0.48 -0.15 107.32 110.07 2pwe s GLY 253 Ca 0.04 -0.38 -0.23 0.00 0.00 0.00 0.00 44.72 44.15 2pwe s GLY 253 CO -0.06 0.50 1.19 1.62 0.00 0.00 0.00 173.10 176.35 2pwe s GLN 254 N 0.43 3.33 -1.27 2.90 0.74 -0.08 -0.67 119.66 125.03 2pwe s GLN 254 Ca 0.19 -0.89 -0.10 0.00 0.05 0.00 0.00 55.36 54.61 2pwe s GLN 254 Cb -0.14 -4.59 0.16 0.00 1.10 0.00 0.00 33.01 29.55 2pwe s GLN 254 CO 0.06 -1.99 1.82 -0.89 -0.55 0.00 0.00 175.29 173.74 2pwe n ILE 255 N 6.19 4.32 -2.93 -2.34 5.41 -0.70 -1.61 119.36 127.70 2pwe n ILE 255 Ca 0.11 -4.42 -0.41 0.00 1.00 0.00 0.00 62.75 59.04 2pwe n ILE 255 Cb 0.48 -2.38 -0.04 0.00 -0.71 0.00 0.00 39.64 37.00 2pwe n ILE 255 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2pwe s PHE 256 N 0.61 3.54 0.00 1.39 5.36 -1.26 -3.87 117.98 123.75 2pwe s PHE 256 Ca 0.40 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 2pwe s PHE 256 Cb 0.08 -2.94 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 2pwe s PHE 256 CO 0.00 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.13 2pwe n GLY 257 N 3.19 1.57 3.80 13.12 0.00 -1.26 -4.78 105.19 120.82 2pwe n GLY 257 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2pwe n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwe s ALA 258 N -2.33 3.18 0.28 4.61 0.00 -1.25 -3.78 121.76 122.46 2pwe s ALA 258 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2pwe s ALA 258 Cb 0.00 -3.13 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 2pwe s ALA 258 CO 0.00 0.18 1.44 -2.14 0.00 0.00 0.00 175.76 175.24 2pwe s PRO 259 N -2.44 4.25 0.38 0.00 0.02 -1.26 -4.88 135.00 131.07 2pwe s PRO 259 Ca 0.53 2.34 0.15 0.00 0.02 0.00 0.00 61.00 64.05 2pwe s PRO 259 Cb -0.15 -3.08 1.02 0.00 0.02 0.00 0.00 34.50 32.30 2pwe s PRO 259 CO 0.20 -0.42 1.80 1.25 -0.33 0.00 0.00 177.00 179.50 2pwe h LEU 260 N 4.62 0.51 -1.78 -5.54 5.85 -1.99 -1.44 115.31 115.53 2pwe h LEU 260 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2pwe h LEU 260 Cb 1.22 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2pwe h LEU 260 CO 0.75 0.15 0.00 -0.55 -0.34 0.00 0.00 178.44 178.45 2pwe h ASN 261 N 0.48 0.00 0.48 1.25 -1.07 -2.00 -1.44 115.58 113.29 2pwe h ASN 261 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.92 2pwe h ASN 261 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 2pwe h ASN 261 CO -0.28 0.00 -0.62 0.00 0.07 0.00 0.00 177.43 176.60 2pwe n GLN 262 N -2.57 0.06 -0.15 4.14 6.02 -0.54 -4.32 117.38 120.02 2pwe n GLN 262 Ca -0.01 0.01 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2pwe n GLN 262 Cb 0.10 -1.53 0.39 0.00 1.02 0.00 0.00 30.24 30.22 2pwe n GLN 262 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2pwe h VAL 263 N 0.00 1.00 -0.14 5.09 2.07 -1.36 -1.61 116.25 121.31 2pwe h VAL 263 Ca 0.00 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2pwe h VAL 263 Cb 0.55 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2pwe h VAL 263 CO 0.00 0.12 0.11 -0.65 0.02 0.00 0.00 177.57 177.18 2pwe h PRO 264 N 0.67 0.00 0.00 1.57 0.11 -1.78 -0.55 132.00 132.02 2pwe h PRO 264 Ca 0.29 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 2pwe h PRO 264 Cb 0.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 2pwe h PRO 264 CO -0.09 0.00 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.56 2pwe h LEU 265 N 0.00 0.00 0.00 2.35 3.38 -1.60 -0.92 115.31 118.53 2pwe h LEU 265 Ca 0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 2pwe h LEU 265 Cb 0.29 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2pwe h LEU 265 CO -0.00 0.07 -1.52 -0.26 0.09 0.00 0.00 178.44 176.81 2pwe h PHE 266 N 0.00 0.00 0.00 1.13 -1.00 -1.23 -3.42 116.94 112.41 2pwe h PHE 266 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2pwe h PHE 266 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 2pwe h PHE 266 CO 0.00 0.91 -0.50 0.44 -1.61 0.00 0.00 178.31 177.55 2pwe n ILE 267 N -3.06 0.00 -1.64 -0.55 -5.35 -1.04 -1.33 119.36 106.39 2pwe n ILE 267 Ca -0.13 -0.29 -0.50 0.00 -0.27 0.00 0.00 62.75 61.56 2pwe n ILE 267 Cb 0.99 0.79 -0.05 0.00 -1.74 0.00 0.00 39.64 39.62 2pwe n ILE 267 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2pwe n ASP 268 N -1.26 3.08 0.08 7.28 -0.08 -0.38 -4.34 116.55 120.93 2pwe n ASP 268 Ca 0.00 0.83 0.17 0.00 -1.51 0.00 0.00 54.79 54.29 2pwe n ASP 268 Cb 0.05 -1.33 0.70 0.00 2.34 0.00 0.00 41.12 42.87 2pwe n ASP 268 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pwe h SER 269 N 9.94 0.00 0.87 1.67 4.64 -1.30 -1.00 113.55 128.37 2pwe h SER 269 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2pwe h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2pwe h SER 269 CO 0.96 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.95 2pwe h ARG 270 N 0.00 0.00 0.00 4.77 3.08 -1.87 -2.71 114.38 117.65 2pwe h ARG 270 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2pwe h ARG 270 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2pwe h ARG 270 CO -0.00 0.00 -0.25 0.54 -1.07 0.00 0.00 179.97 179.19 2pwe n ARG 271 N -3.03 0.03 -3.54 0.04 1.74 -0.38 -4.97 116.66 106.55 2pwe n ARG 271 Ca 0.00 0.01 -0.23 0.00 -0.77 0.00 0.00 57.85 56.86 2pwe n ARG 271 Cb 0.27 -1.52 0.05 0.00 -1.02 0.00 0.00 32.46 30.23 2pwe n ARG 271 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pwe n LYS 272 N -1.57 -2.62 0.00 5.56 5.02 -1.02 -4.92 118.16 118.61 2pwe n LYS 272 Ca 0.06 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2pwe n LYS 272 Cb 0.35 -4.98 0.00 0.00 -0.02 0.00 0.00 35.03 30.38 2pwe n LYS 272 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pwe n GLU 273 N -3.90 0.00 -4.21 1.97 1.02 -1.26 -4.54 120.64 109.72 2pwe n GLU 273 Ca -0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.77 2pwe n GLU 273 Cb 0.62 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.98 2pwe n GLU 273 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pwe s LEU 274 N 0.00 3.30 -0.08 -4.62 1.43 -0.44 -4.78 118.68 113.49 2pwe s LEU 274 Ca 0.00 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 2pwe s LEU 274 Cb 0.00 -1.80 -0.29 0.00 0.03 0.00 0.00 46.19 44.12 2pwe s LEU 274 CO 0.00 -0.10 0.76 0.44 0.23 0.00 0.00 176.35 177.68 2pwe h ASP 275 N 1.72 0.40 -5.38 2.29 3.32 -1.63 -3.38 116.42 113.76 2pwe h ASP 275 Ca -0.45 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 55.54 2pwe h ASP 275 Cb 1.25 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.53 2pwe h ASP 275 CO 0.61 1.44 -0.49 0.00 -1.72 0.00 0.00 179.24 179.09 2pwe s MET 276 N -2.43 1.09 -0.01 3.56 0.23 -0.40 -4.06 119.30 117.29 2pwe s MET 276 Ca -0.16 -1.36 0.08 0.00 -1.03 0.00 0.00 55.69 53.22 2pwe s MET 276 Cb 0.02 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.61 2pwe s MET 276 CO 0.79 -0.36 -0.24 0.00 -2.03 0.00 0.00 175.02 173.18 2pwe s ALA 277 N -4.03 2.03 -0.35 3.16 0.00 -0.96 -1.38 121.76 120.23 2pwe s ALA 277 Ca 0.24 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2pwe s ALA 277 Cb 0.05 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.68 2pwe s ALA 277 CO 0.03 0.50 0.19 -0.06 0.00 0.00 0.00 175.76 176.41 2pwe s PHE 278 N -0.60 3.22 0.33 0.00 0.08 0.15 -1.72 117.98 119.44 2pwe s PHE 278 Ca 0.09 -0.82 0.07 0.00 0.12 0.00 0.00 56.93 56.40 2pwe s PHE 278 Cb -0.09 -2.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 2pwe s PHE 278 CO -0.01 -0.58 0.28 0.95 -0.10 0.00 0.00 175.22 175.77 2pwe s THR 279 N 1.57 3.59 -0.02 0.64 -4.23 -1.26 -1.72 115.64 114.20 2pwe s THR 279 Ca 0.03 -1.39 0.04 0.00 -1.18 0.00 0.00 61.69 59.19 2pwe s THR 279 Cb -0.18 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.52 2pwe s THR 279 CO 0.06 -0.19 0.99 0.49 -0.54 0.00 0.00 174.62 175.44 2pwe n PHE 280 N -1.35 0.00 -0.20 3.99 3.01 -1.26 -4.71 117.46 116.94 2pwe n PHE 280 Ca -0.02 -0.55 -0.06 0.00 1.01 0.00 0.00 57.45 57.83 2pwe n PHE 280 Cb 0.60 -0.06 0.03 0.00 -0.01 0.00 0.00 39.48 40.03 2pwe n PHE 280 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2pwe h ASP 281 N 0.00 0.68 0.13 4.37 5.19 -1.95 -1.15 116.42 123.69 2pwe h ASP 281 Ca 0.00 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2pwe h ASP 281 Cb 0.65 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.99 2pwe h ASP 281 CO 0.00 0.51 -0.06 0.25 -3.12 0.00 0.00 179.24 176.82 2pwe h LEU 282 N 0.78 -0.15 -1.84 1.55 5.85 -1.91 -1.59 115.31 117.99 2pwe h LEU 282 Ca 0.21 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 2pwe h LEU 282 Cb -0.06 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2pwe h LEU 282 CO -0.04 0.38 -0.14 -0.29 -0.34 0.00 0.00 178.44 178.01 2pwe h ILE 283 N -0.75 0.65 -0.52 4.05 2.10 -1.85 -1.69 117.51 119.50 2pwe h ILE 283 Ca -0.02 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.34 2pwe h ILE 283 Cb 0.53 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2pwe h ILE 283 CO 0.03 0.13 0.00 0.54 -1.08 0.00 0.00 178.15 177.77 2pwe n ARG 284 N -3.72 3.52 0.34 2.19 5.12 -0.44 -4.63 116.66 119.04 2pwe n ARG 284 Ca -0.02 -2.76 0.21 0.00 -1.93 0.00 0.00 57.85 53.35 2pwe n ARG 284 Cb 0.25 -1.81 1.14 0.00 -1.16 0.00 0.00 32.46 30.88 2pwe n ARG 284 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2pwe h TYR 285 N 3.30 0.00 -0.01 -1.55 -0.00 -0.30 -1.42 116.97 116.99 2pwe h TYR 285 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2pwe h TYR 285 Cb 1.37 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.10 2pwe h TYR 285 CO 0.65 0.00 -0.43 -0.40 -0.00 0.00 0.00 178.16 177.98 2pwe n ASP 286 N -3.07 1.81 -4.55 0.10 5.75 -1.26 -4.97 116.55 110.37 2pwe n ASP 286 Ca -0.03 -3.81 -0.34 0.00 -0.01 0.00 0.00 54.79 50.61 2pwe n ASP 286 Cb 0.13 -0.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.59 2pwe n ASP 286 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2pwe s ARG 287 N -3.20 3.08 0.98 0.11 6.06 -0.54 -0.99 118.95 124.46 2pwe s ARG 287 Ca 0.37 -0.54 -0.13 0.00 -2.50 0.00 0.00 55.73 52.94 2pwe s ARG 287 Cb 0.36 -2.70 0.18 0.00 0.06 0.00 0.00 34.95 32.85 2pwe s ARG 287 CO -0.06 0.51 1.11 0.00 -2.50 0.00 0.00 175.30 174.36 2pwe s ALA 288 N -0.38 1.21 0.49 6.12 0.00 -0.59 -4.86 121.76 123.75 2pwe s ALA 288 Ca 0.06 -0.46 0.18 0.00 0.00 0.00 0.00 51.96 51.74 2pwe s ALA 288 Cb -0.12 -3.07 1.26 0.00 0.00 0.00 0.00 23.12 21.18 2pwe s ALA 288 CO 0.02 -2.69 2.10 -0.07 0.00 0.00 0.00 175.76 175.12 2pwe h LEU 289 N -1.79 0.00 0.00 0.00 3.38 -1.90 -0.83 115.31 114.18 2pwe h LEU 289 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2pwe h LEU 289 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2pwe h LEU 289 CO 0.59 0.08 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 2pwe n ASP 290 N -4.29 0.00 0.00 -0.43 5.68 -1.26 -4.87 116.55 111.37 2pwe n ASP 290 Ca -0.03 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.01 2pwe n ASP 290 Cb 0.16 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2pwe n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pwe n ARG 291 N -1.20 -0.50 0.00 0.11 1.74 -0.32 -4.79 116.66 111.71 2pwe n ARG 291 Ca 0.13 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2pwe n ARG 291 Cb 0.15 -3.70 0.00 0.00 -1.02 0.00 0.00 32.46 27.89 2pwe n ARG 291 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2pwe n TRP 292 N -2.28 0.00 -2.25 -1.55 4.27 -1.26 -4.92 117.44 109.46 2pwe n TRP 292 Ca 0.00 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.33 2pwe n TRP 292 Cb 0.12 0.00 0.03 0.00 -1.36 0.00 0.00 31.31 30.11 2pwe n TRP 292 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 2pwe s HIS 293 N -1.46 3.32 0.35 -2.67 3.76 -1.26 -4.44 115.29 112.88 2pwe s HIS 293 Ca 0.00 0.80 0.09 0.00 -0.15 0.00 0.00 55.06 55.80 2pwe s HIS 293 Cb 0.00 -2.80 -0.06 0.00 1.11 0.00 0.00 32.58 30.83 2pwe s HIS 293 CO 0.00 -0.88 -0.03 0.95 -0.85 0.00 0.00 174.74 173.93 2pwe s THR 294 N -3.08 2.42 -0.03 1.30 -4.23 -1.26 -1.55 115.64 109.21 2pwe s THR 294 Ca 0.55 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2pwe s THR 294 Cb -0.11 -2.74 0.01 0.00 1.34 0.00 0.00 72.50 71.01 2pwe s THR 294 CO 0.47 -0.19 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.67 2pwe s ILE 295 N -2.57 0.59 0.24 2.99 1.01 -0.16 -4.74 121.20 118.56 2pwe s ILE 295 Ca 0.34 -0.22 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 2pwe s ILE 295 Cb 0.02 -0.56 -0.13 0.00 0.01 0.00 0.00 42.46 41.79 2pwe s ILE 295 CO 0.18 0.21 1.54 -2.65 0.00 0.00 0.00 174.94 174.22 2pwe n PRO 296 N 3.58 2.36 -4.14 2.79 -0.02 -1.26 -4.68 135.00 133.63 2pwe n PRO 296 Ca -0.21 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.02 2pwe n PRO 296 Cb 0.53 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2pwe n PRO 296 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pwe s ARG 297 N -0.00 0.90 0.42 -0.52 1.81 -1.26 -5.06 118.95 115.23 2pwe s ARG 297 Ca 0.70 -1.42 0.04 0.00 -1.72 0.00 0.00 55.73 53.33 2pwe s ARG 297 Cb -0.59 0.24 -0.05 0.00 -0.45 0.00 0.00 34.95 34.10 2pwe s ARG 297 CO 0.45 -0.25 0.04 0.95 -0.68 0.00 0.00 175.30 175.81 2pwe s THR 298 N -4.04 1.32 0.58 0.02 -4.23 -1.26 -5.00 115.64 103.03 2pwe s THR 298 Ca 0.22 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 59.01 2pwe s THR 298 Cb 0.08 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.69 2pwe s THR 298 CO 0.01 0.00 2.03 0.25 -0.54 0.00 0.00 174.62 176.36 2pwe h LEU 299 N 1.73 0.00 -0.85 4.79 5.85 -1.90 0.47 115.31 125.41 2pwe h LEU 299 Ca -0.42 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 2pwe h LEU 299 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2pwe h LEU 299 CO 0.72 0.00 -0.09 0.00 -0.34 0.00 0.00 178.44 178.73 2pwe h ALA 300 N 1.68 1.03 -0.05 1.25 0.00 -1.83 -0.85 119.26 120.48 2pwe h ALA 300 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 2pwe h ALA 300 Cb 0.75 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2pwe h ALA 300 CO -0.00 0.59 -0.71 -0.44 0.00 0.00 0.00 179.25 178.68 2pwe h ASP 301 N 0.69 0.33 0.70 0.00 3.32 -1.24 -2.34 116.42 117.88 2pwe h ASP 301 Ca 0.12 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2pwe h ASP 301 Cb 0.56 -0.10 0.01 0.00 0.22 0.00 0.00 39.33 40.02 2pwe h ASP 301 CO 0.03 0.93 -0.34 0.15 -1.72 0.00 0.00 179.24 178.30 2pwe h PHE 302 N 0.19 -0.87 -0.33 4.55 3.04 -1.17 -2.14 116.94 120.20 2pwe h PHE 302 Ca -0.02 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 2pwe h PHE 302 Cb 1.27 0.29 -0.02 0.00 2.56 0.00 0.00 35.95 40.05 2pwe h PHE 302 CO 0.03 -0.51 -0.20 0.07 -2.02 0.00 0.00 178.31 175.68 2pwe h ARG 303 N -1.13 0.63 -0.75 1.11 0.11 -1.23 -2.29 114.38 110.83 2pwe h ARG 303 Ca -0.10 -0.23 -0.05 0.00 0.10 0.00 0.00 59.98 59.71 2pwe h ARG 303 Cb 0.75 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.75 2pwe h ARG 303 CO 0.16 0.78 0.27 1.96 0.10 0.00 0.00 179.97 183.24 2pwe h GLN 304 N 0.56 1.13 -0.19 0.08 4.20 -1.44 0.61 115.11 120.05 2pwe h GLN 304 Ca 0.09 -0.22 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2pwe h GLN 304 Cb 0.64 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2pwe h GLN 304 CO 0.05 0.93 0.06 1.15 -0.67 0.00 0.00 178.83 180.35 2pwe h THR 305 N 1.10 1.19 -0.72 -0.54 2.02 -1.12 -0.89 112.91 113.94 2pwe h THR 305 Ca 0.25 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.88 2pwe h THR 305 Cb 0.25 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2pwe h THR 305 CO -0.02 0.18 0.45 0.40 0.37 0.00 0.00 175.52 176.90 2pwe h ILE 306 N 0.13 1.07 -0.26 3.11 2.04 -1.12 0.11 117.51 122.58 2pwe h ILE 306 Ca 0.06 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2pwe h ILE 306 Cb 0.23 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2pwe h ILE 306 CO -0.00 0.16 0.14 0.44 0.00 0.00 0.00 178.15 178.89 2pwe h ASP 307 N 0.85 0.23 -0.13 1.72 3.32 -0.51 0.37 116.42 122.26 2pwe h ASP 307 Ca 0.30 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.36 2pwe h ASP 307 Cb 0.07 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2pwe h ASP 307 CO -0.13 0.17 0.06 0.11 -1.72 0.00 0.00 179.24 177.73 2pwe h LYS 308 N 0.30 0.14 -0.12 3.56 1.57 -0.31 -0.27 116.57 121.44 2pwe h LYS 308 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2pwe h LYS 308 Cb 0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2pwe h LYS 308 CO -0.06 0.09 0.08 0.28 -0.57 0.00 0.00 179.45 179.27 2pwe h VAL 309 N 0.14 1.03 -0.65 0.50 2.07 -0.42 -1.83 116.25 117.09 2pwe h VAL 309 Ca 0.05 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2pwe h VAL 309 Cb 0.01 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2pwe h VAL 309 CO -0.03 0.03 0.37 -0.78 0.02 0.00 0.00 177.57 177.18 2pwe h ASP 310 N 0.16 0.78 -0.66 0.57 3.58 -0.04 -1.78 116.42 119.03 2pwe h ASP 310 Ca 0.04 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2pwe h ASP 310 Cb -0.02 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 2pwe h ASP 310 CO -0.01 0.61 0.28 0.00 -2.88 0.00 0.00 179.24 177.24 2pwe h ALA 311 N 1.52 1.20 0.00 -0.78 0.00 -0.59 -2.75 119.26 117.85 2pwe h ALA 311 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pwe h ALA 311 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2pwe h ALA 311 CO -0.04 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.61 2pwe h ILE 312 N 0.99 0.72 0.00 0.00 1.08 -0.49 -1.23 117.51 118.58 2pwe h ILE 312 Ca 0.23 -0.02 -0.03 0.00 -0.39 0.00 0.00 64.86 64.65 2pwe h ILE 312 Cb 0.18 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.94 2pwe h ILE 312 CO -0.02 0.01 -0.15 0.00 -0.69 0.00 0.00 178.15 177.29 2pwe h ALA 313 N 1.99 1.16 -0.72 1.87 0.00 -1.43 -3.41 119.26 118.73 2pwe h ALA 313 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2pwe h ALA 313 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pwe h ALA 313 CO 0.00 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2pwe n GLY 314 N -0.36 1.46 0.09 0.00 0.00 -0.47 -0.50 105.19 105.41 2pwe n GLY 314 Ca -0.01 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 2pwe n GLY 314 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pwe n GLU 315 N 4.28 0.63 -0.02 1.61 0.28 -1.26 -4.44 120.64 121.72 2pwe n GLU 315 Ca 0.00 0.22 0.04 0.00 -0.16 0.00 0.00 57.16 57.26 2pwe n GLU 315 Cb 0.00 -1.78 0.05 0.00 1.43 0.00 0.00 31.44 31.14 2pwe n GLU 315 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2pwe n TYR 316 N -2.90 0.06 -3.13 -1.84 4.02 -1.24 -5.02 117.16 107.10 2pwe n TYR 316 Ca -0.12 -0.08 -0.20 0.00 -0.01 0.00 0.00 57.90 57.49 2pwe n TYR 316 Cb 0.89 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 40.24 2pwe n TYR 316 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2pwe s GLY 317 N -0.75 1.87 -0.16 2.72 0.00 0.35 -0.86 107.32 110.49 2pwe s GLY 317 Ca 0.11 -1.93 -0.14 0.00 0.00 0.00 0.00 44.72 42.76 2pwe s GLY 317 CO 0.11 -1.66 0.42 0.86 0.00 0.00 0.00 173.10 172.83 2pwe s TRP 318 N -2.58 -0.48 0.21 1.90 -0.11 -1.26 -4.78 118.94 111.83 2pwe s TRP 318 Ca 0.57 1.15 0.07 0.00 1.22 0.00 0.00 56.10 59.11 2pwe s TRP 318 Cb -0.06 0.17 -0.04 0.00 -1.50 0.00 0.00 33.47 32.04 2pwe s TRP 318 CO 0.35 -0.24 0.08 -0.80 -4.62 0.00 0.00 176.95 171.73 2pwe s ASN 319 N 0.39 5.12 0.41 5.86 0.01 -1.26 -2.26 114.94 123.22 2pwe s ASN 319 Ca -0.01 -0.33 0.04 0.00 -0.71 0.00 0.00 52.86 51.85 2pwe s ASN 319 Cb -0.04 -1.20 0.00 0.00 0.41 0.00 0.00 41.25 40.43 2pwe s ASN 319 CO -0.01 0.04 0.58 0.42 -1.51 0.00 0.00 177.10 176.62 2pwe s THR 320 N -1.93 3.67 -0.02 1.60 -4.23 -0.70 -0.67 115.64 113.36 2pwe s THR 320 Ca 0.30 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2pwe s THR 320 Cb -0.09 -3.30 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2pwe s THR 320 CO 0.22 -0.15 0.01 0.12 -0.54 0.00 0.00 174.62 174.28 2pwe s PHE 321 N -2.39 0.11 0.03 3.99 5.36 -0.03 -4.66 117.98 120.39 2pwe s PHE 321 Ca 0.49 0.07 -0.19 0.00 -0.96 0.00 0.00 56.93 56.33 2pwe s PHE 321 Cb -0.10 -0.24 0.04 0.00 -0.34 0.00 0.00 43.02 42.38 2pwe s PHE 321 CO 0.34 -0.08 0.44 -0.59 -1.46 0.00 0.00 175.22 173.87 2pwe s PHE 322 N 0.81 -0.31 -0.32 10.12 -0.71 -1.26 -0.93 117.98 125.38 2pwe s PHE 322 Ca -0.07 0.34 0.06 0.00 -1.04 0.00 0.00 56.93 56.21 2pwe s PHE 322 Cb -0.10 0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.90 2pwe s PHE 322 CO -0.02 -0.57 0.29 1.28 -1.34 0.00 0.00 175.22 174.86 2pwe n LEU 323 N 0.59 0.40 -3.54 -1.99 4.77 -1.26 -4.85 117.00 111.11 2pwe n LEU 323 Ca -0.19 -0.55 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 2pwe n LEU 323 Cb 0.59 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2pwe n LEU 323 CO 0.20 0.09 0.27 -0.83 -1.33 0.00 0.00 177.39 175.80 2pwe s GLY 324 N -1.44 -0.43 0.04 -0.72 0.00 -1.26 -4.39 107.32 99.11 2pwe s GLY 324 Ca 0.03 0.23 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 2pwe s GLY 324 CO 0.22 -0.06 0.11 1.16 0.00 0.00 0.00 173.10 174.53 2pwe n ASN 325 N -0.23 -0.26 0.00 1.64 0.23 -1.26 -4.46 115.26 110.92 2pwe n ASN 325 Ca -0.17 -1.16 0.13 0.00 -0.53 0.00 0.00 54.58 52.85 2pwe n ASN 325 Cb 0.64 0.42 0.77 0.00 -2.08 0.00 0.00 39.78 39.54 2pwe n ASN 325 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pwe n HIS 326 N -0.08 0.00 0.02 -2.53 1.44 -1.26 -3.18 115.22 109.63 2pwe n HIS 326 Ca -0.01 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.73 2pwe n HIS 326 Cb 0.07 -0.03 0.06 0.00 0.12 0.00 0.00 29.99 30.21 2pwe n HIS 326 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2pwe n ASP 327 N -1.03 2.15 -4.22 4.39 8.00 -1.26 -4.78 116.55 119.80 2pwe n ASP 327 Ca 0.19 -1.75 -0.12 0.00 0.71 0.00 0.00 54.79 53.82 2pwe n ASP 327 Cb 0.10 -0.08 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 2pwe n ASP 327 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2pwe s ASN 328 N -0.83 0.89 1.05 -2.24 0.01 -1.19 -4.32 114.94 108.31 2pwe s ASN 328 Ca 0.10 -1.21 -0.12 0.00 -0.71 0.00 0.00 52.86 50.93 2pwe s ASN 328 Cb 0.06 0.18 0.22 0.00 0.41 0.00 0.00 41.25 42.12 2pwe s ASN 328 CO 0.08 -0.64 1.07 -2.16 -1.51 0.00 0.00 177.10 173.94 2pwe s PRO 329 N -3.97 -0.00 0.26 -0.60 0.04 -1.26 -4.04 135.00 125.43 2pwe s PRO 329 Ca 0.25 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2pwe s PRO 329 Cb 0.07 -1.67 -0.10 0.00 0.04 0.00 0.00 34.50 32.84 2pwe s PRO 329 CO 0.04 -3.09 1.35 1.03 0.04 0.00 0.00 177.00 176.37 2pwe s ARG 330 N -4.72 4.34 0.19 4.56 1.81 -1.26 -4.71 118.95 119.16 2pwe s ARG 330 Ca 0.66 2.19 -0.16 0.00 -1.72 0.00 0.00 55.73 56.70 2pwe s ARG 330 Cb -0.22 -3.13 0.16 0.00 -0.45 0.00 0.00 34.95 31.32 2pwe s ARG 330 CO 0.61 -0.28 1.63 0.00 -0.68 0.00 0.00 175.30 176.58 2pwe h ALA 331 N 4.58 0.27 -0.18 2.13 0.00 -1.86 0.34 119.26 124.54 2pwe h ALA 331 Ca -0.47 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 2pwe h ALA 331 Cb 1.22 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2pwe h ALA 331 CO 0.73 -0.49 -0.34 -0.24 0.00 0.00 0.00 179.25 178.92 2pwe h VAL 332 N -0.05 1.29 -0.16 0.00 3.04 -1.92 0.77 116.25 119.21 2pwe h VAL 332 Ca 0.25 -1.40 -0.20 0.00 -1.01 0.00 0.00 66.70 64.33 2pwe h VAL 332 Cb 0.43 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2pwe h VAL 332 CO -0.56 0.43 -0.71 0.28 -1.01 0.00 0.00 177.57 176.01 2pwe h SER 333 N 0.31 0.81 0.02 3.17 0.02 -1.61 -1.43 113.55 114.83 2pwe h SER 333 Ca 0.04 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2pwe h SER 333 Cb 0.75 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2pwe h SER 333 CO 0.06 1.28 -0.01 -0.74 -1.14 0.00 0.00 176.83 176.28 2pwe h HIS 334 N 0.49 -0.02 0.00 3.45 6.17 -0.11 -3.39 115.15 121.73 2pwe h HIS 334 Ca -0.03 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.05 2pwe h HIS 334 Cb 1.31 0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.25 2pwe h HIS 334 CO 0.07 0.70 -1.42 1.19 0.71 0.00 0.00 177.93 179.18 2pwe n PHE 335 N -4.74 0.00 -0.67 5.26 3.72 0.24 -5.02 117.46 116.25 2pwe n PHE 335 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2pwe n PHE 335 Cb 0.36 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 2pwe n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwe n GLY 336 N 1.43 3.94 2.79 1.37 0.00 -0.55 -5.03 105.19 109.14 2pwe n GLY 336 Ca -0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 2pwe n GLY 336 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwe s ASP 337 N 0.26 3.61 -0.04 1.61 -1.08 -1.17 -4.80 116.67 115.06 2pwe s ASP 337 Ca 0.00 -1.26 0.06 0.00 -0.52 0.00 0.00 52.55 50.83 2pwe s ASP 337 Cb 0.00 -0.85 0.24 0.00 -1.46 0.00 0.00 42.92 40.85 2pwe s ASP 337 CO 0.00 -0.34 1.04 -0.90 0.52 0.00 0.00 175.17 175.49 2pwe n ASP 338 N 4.87 1.97 -4.78 -0.34 5.68 -1.25 -2.33 116.55 120.36 2pwe n ASP 338 Ca -0.06 -2.16 -0.35 0.00 -0.50 0.00 0.00 54.79 51.71 2pwe n ASP 338 Cb 0.44 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.03 2pwe n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pwe s ARG 339 N -1.62 3.65 0.29 0.11 0.52 -1.26 -4.64 118.95 115.99 2pwe s ARG 339 Ca 0.17 1.54 0.02 0.00 -0.52 0.00 0.00 55.73 56.94 2pwe s ARG 339 Cb 0.11 -2.14 0.72 0.00 0.52 0.00 0.00 34.95 34.16 2pwe s ARG 339 CO 0.08 -0.59 1.65 -1.35 0.02 0.00 0.00 175.30 175.10 2pwe h PRO 340 N 1.57 0.21 0.00 3.54 0.11 -2.01 -0.03 132.00 135.38 2pwe h PRO 340 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2pwe h PRO 340 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2pwe h PRO 340 CO 0.59 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 2pwe n GLN 341 N -5.22 0.02 0.00 1.05 0.00 -1.26 -3.82 117.38 108.14 2pwe n GLN 341 Ca 0.22 0.10 0.00 0.00 0.00 0.00 0.00 57.00 57.31 2pwe n GLN 341 Cb 0.69 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 29.41 2pwe n GLN 341 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2pwe n TRP 342 N -1.56 0.00 0.02 2.61 7.02 -0.40 -4.83 117.44 120.30 2pwe n TRP 342 Ca 0.06 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.44 2pwe n TRP 342 Cb 0.29 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.14 2pwe n TRP 342 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2pwe h ARG 343 N 0.00 -0.17 -0.17 -0.99 2.43 -0.66 -0.29 114.38 114.53 2pwe h ARG 343 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2pwe h ARG 343 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2pwe h ARG 343 CO 0.00 -0.11 0.06 0.93 -1.51 0.00 0.00 179.97 179.33 2pwe h GLU 344 N -0.18 0.27 -0.49 0.20 5.08 -1.87 -0.49 114.58 117.10 2pwe h GLU 344 Ca 0.07 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2pwe h GLU 344 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2pwe h GLU 344 CO -0.18 0.38 0.27 0.00 -1.00 0.00 0.00 179.01 178.47 2pwe h ALA 345 N 0.88 0.63 -0.03 3.43 0.00 -1.85 -1.26 119.26 121.06 2pwe h ALA 345 Ca 0.06 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 2pwe h ALA 345 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2pwe h ALA 345 CO -0.00 0.16 -0.81 0.66 0.00 0.00 0.00 179.25 179.26 2pwe h SER 346 N 0.65 0.34 -0.03 0.00 4.64 -1.03 -2.22 113.55 115.90 2pwe h SER 346 Ca 0.17 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2pwe h SER 346 Cb 0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 2pwe h SER 346 CO -0.03 1.01 -0.13 0.00 -0.87 0.00 0.00 176.83 176.82 2pwe h ALA 347 N 0.98 1.41 -0.27 5.18 0.00 -0.87 -0.82 119.26 124.87 2pwe h ALA 347 Ca -0.04 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 2pwe h ALA 347 Cb 1.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2pwe h ALA 347 CO 0.13 0.41 -0.50 0.87 0.00 0.00 0.00 179.25 180.15 2pwe h LYS 348 N 0.31 0.81 -0.59 0.00 1.57 -1.07 -1.75 116.57 115.86 2pwe h LYS 348 Ca 0.06 -0.52 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 2pwe h LYS 348 Cb 0.42 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 2pwe h LYS 348 CO 0.02 1.15 0.30 0.00 -0.57 0.00 0.00 179.45 180.36 2pwe h ALA 349 N 0.66 0.77 -0.16 3.86 0.00 -0.90 -1.03 119.26 122.46 2pwe h ALA 349 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 2pwe h ALA 349 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2pwe h ALA 349 CO 0.11 -0.04 -0.34 -0.07 0.00 0.00 0.00 179.25 178.91 2pwe h LEU 350 N 0.57 0.34 -0.39 0.00 3.38 -1.09 -2.46 115.31 115.67 2pwe h LEU 350 Ca 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pwe h LEU 350 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2pwe h LEU 350 CO -0.18 0.67 0.26 0.00 0.09 0.00 0.00 178.44 179.27 2pwe h ALA 351 N 1.35 0.50 -0.50 1.53 0.00 -0.31 0.97 119.26 122.81 2pwe h ALA 351 Ca 0.03 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2pwe h ALA 351 Cb 0.75 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2pwe h ALA 351 CO 0.06 -0.03 0.23 1.15 0.00 0.00 0.00 179.25 180.66 2pwe h THR 352 N 0.53 0.93 0.81 0.00 2.02 -0.95 -0.43 112.91 115.82 2pwe h THR 352 Ca 0.14 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2pwe h THR 352 Cb -0.05 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2pwe h THR 352 CO -0.03 0.08 -0.39 0.58 0.37 0.00 0.00 175.52 176.14 2pwe h VAL 353 N 0.46 0.19 -0.70 3.16 2.07 -1.06 -2.71 116.25 117.66 2pwe h VAL 353 Ca 0.22 -0.03 0.15 0.00 0.82 0.00 0.00 66.70 67.87 2pwe h VAL 353 Cb 0.16 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.01 2pwe h VAL 353 CO -0.17 0.00 -0.04 0.74 0.02 0.00 0.00 177.57 178.12 2pwe h THR 354 N -1.11 0.37 -0.21 2.57 2.02 -0.26 -1.44 112.91 114.85 2pwe h THR 354 Ca -0.11 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2pwe h THR 354 Cb 0.83 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2pwe h THR 354 CO 0.18 0.02 0.00 0.18 0.37 0.00 0.00 175.52 176.27 2pwe n LEU 355 N -5.35 1.26 -0.04 2.58 4.77 -0.22 -3.51 117.00 116.48 2pwe n LEU 355 Ca 0.11 -0.60 0.02 0.00 -0.03 0.00 0.00 56.01 55.50 2pwe n LEU 355 Cb 0.42 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2pwe n LEU 355 CO 0.06 0.30 0.43 0.35 -1.33 0.00 0.00 177.39 177.20 2pwe n THR 356 N 0.15 0.82 -2.63 -5.08 -2.24 -0.56 -4.82 114.28 99.92 2pwe n THR 356 Ca 0.10 -0.88 -0.32 0.00 -2.27 0.00 0.00 64.05 60.68 2pwe n THR 356 Cb 0.22 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 2pwe n THR 356 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwe s GLN 357 N -0.97 3.97 -0.25 -0.78 -1.52 -1.11 -4.96 119.66 114.04 2pwe s GLN 357 Ca 0.05 0.85 -0.27 0.00 -1.95 0.00 0.00 55.36 54.04 2pwe s GLN 357 Cb 0.04 -2.22 0.01 0.00 -0.22 0.00 0.00 33.01 30.62 2pwe s GLN 357 CO 0.00 -0.14 0.97 0.50 -0.25 0.00 0.00 175.29 176.37 2pwe s ARG 358 N -3.77 4.20 0.00 2.91 3.52 -1.26 -4.73 118.95 119.81 2pwe s ARG 358 Ca 0.57 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.33 2pwe s ARG 358 Cb -0.10 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.63 2pwe s ARG 358 CO 0.27 -0.64 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 2pwe n GLY 359 N 3.56 0.98 3.48 8.12 0.00 -1.24 -4.78 105.19 115.31 2pwe n GLY 359 Ca 0.10 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2pwe n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwe s THR 360 N -1.23 5.02 0.40 2.61 2.01 0.16 -4.83 115.64 119.77 2pwe s THR 360 Ca 0.00 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.46 2pwe s THR 360 Cb 0.00 -4.10 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 2pwe s THR 360 CO 0.00 -0.50 1.12 -2.16 -0.69 0.00 0.00 174.62 172.39 2pwe s PRO 361 N 2.31 4.11 -0.17 4.92 0.04 -1.26 -0.85 135.00 144.11 2pwe s PRO 361 Ca 0.14 1.70 0.01 0.00 0.04 0.00 0.00 61.00 62.89 2pwe s PRO 361 Cb -0.17 -2.64 0.02 0.00 0.04 0.00 0.00 34.50 31.76 2pwe s PRO 361 CO 0.14 -0.23 -0.16 -0.06 0.04 0.00 0.00 177.00 176.74 2pwe s PHE 362 N -1.50 2.43 -0.19 0.56 0.40 -0.10 -1.05 117.98 118.52 2pwe s PHE 362 Ca 0.57 -1.43 -0.13 0.00 -0.60 0.00 0.00 56.93 55.34 2pwe s PHE 362 Cb -0.27 -1.72 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 2pwe s PHE 362 CO 0.34 -0.73 0.27 0.42 0.70 0.00 0.00 175.22 176.22 2pwe s ILE 363 N 1.40 5.31 0.01 0.64 1.01 -0.09 -4.52 121.20 124.95 2pwe s ILE 363 Ca 0.04 0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.94 2pwe s ILE 363 Cb -0.13 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2pwe s ILE 363 CO -0.11 0.35 0.63 0.12 0.00 0.00 0.00 174.94 175.93 2pwe s PHE 364 N 0.78 3.69 -0.13 3.97 5.36 -1.26 0.16 117.98 130.56 2pwe s PHE 364 Ca 0.14 1.26 -0.40 0.00 -0.96 0.00 0.00 56.93 56.97 2pwe s PHE 364 Cb -0.13 -2.65 -0.17 0.00 -0.34 0.00 0.00 43.02 39.72 2pwe s PHE 364 CO 0.04 0.34 1.46 0.00 -1.46 0.00 0.00 175.22 175.59 2pwe n GLN 365 N 2.74 0.77 0.00 10.12 10.64 -0.69 -1.25 117.38 139.71 2pwe n GLN 365 Ca -0.06 0.28 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 2pwe n GLN 365 Cb 0.51 -1.89 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 2pwe n GLN 365 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pwe n GLY 366 N 3.08 3.01 0.22 2.61 0.00 -1.26 -4.89 105.19 107.96 2pwe n GLY 366 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 2pwe n GLY 366 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pwe h ASP 367 N 0.09 0.00 0.40 1.61 3.32 -1.51 -0.66 116.42 119.68 2pwe h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pwe h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pwe h ASP 367 CO 0.00 0.24 0.00 -1.84 -1.72 0.00 0.00 179.24 175.92 2pwe n GLU 368 N -4.00 0.03 -0.00 3.56 0.00 -1.26 -1.88 120.64 117.09 2pwe n GLU 368 Ca -0.02 0.34 0.09 0.00 0.00 0.00 0.00 57.16 57.57 2pwe n GLU 368 Cb 0.32 -1.56 -0.12 0.00 0.00 0.00 0.00 31.44 30.08 2pwe n GLU 368 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2pwe n LEU 369 N -1.62 0.66 0.00 -1.84 4.77 -0.28 -1.57 117.00 117.12 2pwe n LEU 369 Ca 0.02 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2pwe n LEU 369 Cb 0.14 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2pwe n LEU 369 CO 0.11 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2pwe n GLY 370 N 1.43 0.78 3.76 -0.72 0.00 -0.79 -4.80 105.19 104.85 2pwe n GLY 370 Ca 0.02 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 2pwe n GLY 370 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwe s MET 371 N -2.82 3.44 0.51 1.61 -1.94 -1.05 -4.99 119.30 114.05 2pwe s MET 371 Ca 0.00 2.29 0.04 0.00 -1.71 0.00 0.00 55.69 56.31 2pwe s MET 371 Cb 0.00 -2.46 0.00 0.00 2.01 0.00 0.00 34.83 34.39 2pwe s MET 371 CO 0.00 -0.97 0.20 0.95 -0.01 0.00 0.00 175.02 175.19 2pwe s THR 372 N -1.27 1.54 1.10 2.05 -4.23 -1.26 -4.55 115.64 109.02 2pwe s THR 372 Ca 0.66 -1.73 -0.12 0.00 -1.18 0.00 0.00 61.69 59.32 2pwe s THR 372 Cb -0.41 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.41 2pwe s THR 372 CO 0.51 0.00 1.06 0.20 -0.54 0.00 0.00 174.62 175.85 2pwe s ASN 373 N -4.06 1.42 -0.09 3.99 0.01 -1.26 -4.88 114.94 110.05 2pwe s ASN 373 Ca 0.23 1.74 -0.04 0.00 -0.71 0.00 0.00 52.86 54.08 2pwe s ASN 373 Cb 0.00 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2pwe s ASN 373 CO 0.14 -3.97 0.05 -0.47 -1.51 0.00 0.00 177.10 171.34 2pwe s TYR 374 N -2.49 3.32 -1.23 2.20 6.14 -1.26 -5.03 117.35 119.00 2pwe s TYR 374 Ca 0.68 0.31 -0.19 0.00 0.64 0.00 0.00 57.07 58.51 2pwe s TYR 374 Cb -0.25 -1.84 -0.01 0.00 0.42 0.00 0.00 41.96 40.29 2pwe s TYR 374 CO 0.63 0.57 1.89 -0.35 0.64 0.00 0.00 175.55 178.92 2pwe n PRO 375 N 2.05 2.49 -2.05 4.97 -0.04 -1.26 -4.96 135.00 136.20 2pwe n PRO 375 Ca -0.19 -2.79 -0.39 0.00 -0.04 0.00 0.00 63.50 60.09 2pwe n PRO 375 Cb 0.54 -3.48 -0.01 0.00 -0.04 0.00 0.00 33.50 30.51 2pwe n PRO 375 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwe s PHE 376 N 6.25 2.82 -0.11 0.54 0.08 -1.26 -4.95 117.98 121.36 2pwe s PHE 376 Ca 0.58 1.41 0.03 0.00 0.12 0.00 0.00 56.93 59.06 2pwe s PHE 376 Cb 0.05 -3.68 -0.09 0.00 -0.57 0.00 0.00 43.02 38.74 2pwe s PHE 376 CO 0.08 -2.10 -0.06 1.63 -0.10 0.00 0.00 175.22 174.67 2pwe n LYS 377 N 0.15 0.96 -4.22 0.44 4.76 -1.26 -5.06 118.16 113.94 2pwe n LYS 377 Ca 0.03 0.05 -0.12 0.00 -2.87 0.00 0.00 58.31 55.40 2pwe n LYS 377 Cb 0.43 -1.23 -0.10 0.00 -1.84 0.00 0.00 35.03 32.29 2pwe n LYS 377 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pwe s THR 378 N -2.23 0.60 0.54 -0.18 -4.23 -1.26 -5.01 115.64 103.86 2pwe s THR 378 Ca -0.12 -1.96 0.39 0.00 -1.18 0.00 0.00 61.69 58.82 2pwe s THR 378 Cb 0.04 -2.04 0.41 0.00 1.34 0.00 0.00 72.50 72.25 2pwe s THR 378 CO 0.30 -0.54 2.26 -0.07 -0.54 0.00 0.00 174.62 176.04 2pwe h LEU 379 N 2.76 0.00 -0.20 4.79 3.38 -1.97 -0.77 115.31 123.31 2pwe h LEU 379 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2pwe h LEU 379 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2pwe h LEU 379 CO 0.63 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.17 2pwe n GLN 380 N -3.24 0.09 -0.01 1.13 3.00 -1.26 -2.54 117.38 114.55 2pwe n GLN 380 Ca -0.02 0.24 0.13 0.00 -0.01 0.00 0.00 57.00 57.34 2pwe n GLN 380 Cb 0.13 -1.65 0.69 0.00 0.00 0.00 0.00 30.24 29.42 2pwe n GLN 380 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pwe n ASP 381 N -1.82 0.40 -4.62 1.08 8.00 -0.29 -4.81 116.55 114.49 2pwe n ASP 381 Ca 0.04 -1.29 -0.34 0.00 0.71 0.00 0.00 54.79 53.91 2pwe n ASP 381 Cb 0.26 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 2pwe n ASP 381 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pwe s PHE 382 N -1.98 3.21 -0.01 1.24 0.40 -1.05 -4.96 117.98 114.82 2pwe s PHE 382 Ca 0.38 0.02 -0.02 0.00 -0.60 0.00 0.00 56.93 56.71 2pwe s PHE 382 Cb 0.18 -2.02 -0.27 0.00 0.51 0.00 0.00 43.02 41.42 2pwe s PHE 382 CO 0.30 0.17 0.79 0.22 0.70 0.00 0.00 175.22 177.40 2pwe h ASP 383 N 6.48 0.37 -0.18 1.36 3.58 -1.89 -3.48 116.42 122.66 2pwe h ASP 383 Ca -0.38 -0.55 -0.48 0.00 0.42 0.00 0.00 57.03 56.05 2pwe h ASP 383 Cb 1.18 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.09 2pwe h ASP 383 CO 0.67 1.46 0.67 -0.67 -2.88 0.00 0.00 179.24 178.49 2pwe n ASP 384 N -3.43 0.53 0.21 2.28 -0.08 -1.26 -4.84 116.55 109.96 2pwe n ASP 384 Ca -0.18 0.50 0.14 0.00 -1.51 0.00 0.00 54.79 53.74 2pwe n ASP 384 Cb 1.04 -0.53 0.50 0.00 2.34 0.00 0.00 41.12 44.47 2pwe n ASP 384 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2pwe h ILE 385 N 3.79 0.00 -0.01 5.18 3.07 -1.92 -2.43 117.51 125.18 2pwe h ILE 385 Ca -0.12 -0.53 -0.12 0.00 1.55 0.00 0.00 64.86 65.63 2pwe h ILE 385 Cb 0.83 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 38.83 2pwe h ILE 385 CO 0.63 0.00 -0.58 -0.08 -1.05 0.00 0.00 178.15 177.07 2pwe h GLU 386 N 0.00 0.04 -0.05 0.16 4.81 -1.90 -1.80 114.58 115.84 2pwe h GLU 386 Ca 0.00 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 2pwe h GLU 386 Cb 0.60 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.00 2pwe h GLU 386 CO 0.00 0.61 -0.93 0.28 -0.73 0.00 0.00 179.01 178.23 2pwe h VAL 387 N 0.03 1.30 -0.62 0.32 2.07 -1.81 -1.27 116.25 116.27 2pwe h VAL 387 Ca -0.01 -2.18 -0.02 0.00 0.82 0.00 0.00 66.70 65.32 2pwe h VAL 387 Cb 1.03 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 2pwe h VAL 387 CO 0.08 0.67 0.29 0.11 0.02 0.00 0.00 177.57 178.74 2pwe h LYS 388 N 0.42 0.87 -0.66 1.57 1.57 -1.42 -0.44 116.57 118.48 2pwe h LYS 388 Ca -0.10 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 2pwe h LYS 388 Cb 1.57 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 2pwe h LYS 388 CO 0.18 0.68 0.21 0.78 -0.57 0.00 0.00 179.45 180.73 2pwe h GLY 389 N 0.96 1.11 1.33 3.86 0.00 -1.20 -1.20 103.07 107.92 2pwe h GLY 389 Ca 0.21 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 2pwe h GLY 389 CO -0.03 0.61 0.03 0.74 0.00 0.00 0.00 176.54 177.89 2pwe h PHE 390 N 0.96 0.87 -0.30 5.60 0.04 -0.26 -0.50 116.94 123.35 2pwe h PHE 390 Ca 0.21 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 2pwe h PHE 390 Cb 0.29 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2pwe h PHE 390 CO 0.02 0.79 0.15 0.35 -0.60 0.00 0.00 178.31 179.02 2pwe h PHE 391 N 0.77 0.43 -0.56 -0.55 3.57 -0.77 0.32 116.94 120.15 2pwe h PHE 391 Ca 0.15 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 2pwe h PHE 391 Cb 0.43 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 2pwe h PHE 391 CO 0.02 0.37 0.29 0.37 -2.23 0.00 0.00 178.31 177.14 2pwe h GLN 392 N 0.35 0.79 0.00 1.11 4.15 -0.92 0.64 115.11 121.24 2pwe h GLN 392 Ca 0.10 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2pwe h GLN 392 Cb 0.10 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2pwe h GLN 392 CO -0.01 0.63 -0.64 -0.44 -1.93 0.00 0.00 178.83 176.43 2pwe h ASP 393 N 0.76 0.00 0.00 -0.69 3.32 -0.80 -3.36 116.42 115.64 2pwe h ASP 393 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pwe h ASP 393 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2pwe h ASP 393 CO -0.03 0.51 -1.00 -1.22 -1.72 0.00 0.00 179.24 175.78 2pwe n TYR 394 N -3.17 0.00 -0.11 4.55 4.02 0.11 -4.56 117.16 118.00 2pwe n TYR 394 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 2pwe n TYR 394 Cb 0.75 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.96 2pwe n TYR 394 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pwe n VAL 395 N -1.84 1.54 0.30 -0.72 0.31 0.08 -0.60 118.33 117.40 2pwe n VAL 395 Ca 0.00 -0.16 0.19 0.00 -0.01 0.00 0.00 64.34 64.37 2pwe n VAL 395 Cb 0.35 -1.98 0.93 0.00 -0.91 0.00 0.00 33.84 32.22 2pwe n VAL 395 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2pwe h GLU 396 N -0.96 0.00 -0.02 5.55 5.08 -1.34 -0.48 114.58 122.41 2pwe h GLU 396 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2pwe h GLU 396 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2pwe h GLU 396 CO -0.27 0.02 -0.05 0.25 -1.00 0.00 0.00 179.01 177.96 2pwe n THR 397 N -3.17 0.00 -0.99 1.13 -2.24 -1.26 -4.94 114.28 102.81 2pwe n THR 397 Ca -0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2pwe n THR 397 Cb 0.19 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 2pwe n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 398 N 1.22 0.45 0.19 3.38 0.00 -0.19 -4.90 105.19 105.35 2pwe n GLY 398 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 2pwe n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pwe h LYS 399 N 0.97 0.00 -3.36 1.61 1.57 -1.29 -3.46 116.57 112.60 2pwe h LYS 399 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2pwe h LYS 399 Cb 0.15 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.32 2pwe h LYS 399 CO 0.00 0.31 -0.13 0.00 -0.57 0.00 0.00 179.45 179.06 2pwe s ALA 400 N -3.36 -0.84 0.51 3.86 0.00 0.23 -5.01 121.76 117.15 2pwe s ALA 400 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.92 2pwe s ALA 400 Cb 0.09 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2pwe s ALA 400 CO 0.68 -0.57 0.78 0.95 0.00 0.00 0.00 175.76 177.60 2pwe s THR 401 N -3.43 3.88 0.32 0.00 -4.23 -1.26 -4.10 115.64 106.81 2pwe s THR 401 Ca 0.01 -0.25 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2pwe s THR 401 Cb 0.01 -3.48 0.28 0.00 1.34 0.00 0.00 72.50 70.66 2pwe s THR 401 CO -0.09 -0.41 1.92 0.00 -0.54 0.00 0.00 174.62 175.49 2pwe h ALA 402 N 0.14 1.56 -0.47 3.99 0.00 -1.96 -1.95 119.26 120.57 2pwe h ALA 402 Ca -0.46 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2pwe h ALA 402 Cb 1.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 2pwe h ALA 402 CO 0.59 0.30 0.10 0.93 0.00 0.00 0.00 179.25 181.17 2pwe h GLU 403 N 0.96 0.76 -0.47 0.00 3.07 -1.99 -1.51 114.58 115.40 2pwe h GLU 403 Ca 0.38 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.98 2pwe h GLU 403 Cb 0.24 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2pwe h GLU 403 CO -0.14 0.76 -0.00 0.93 -1.40 0.00 0.00 179.01 179.15 2pwe h GLU 404 N 0.64 0.78 0.23 2.33 5.08 -1.81 -0.66 114.58 121.17 2pwe h GLU 404 Ca 0.15 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2pwe h GLU 404 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2pwe h GLU 404 CO 0.00 0.79 -0.11 1.25 -1.00 0.00 0.00 179.01 179.94 2pwe h LEU 405 N 0.73 -0.27 -0.39 1.33 5.85 -1.13 -2.81 115.31 118.63 2pwe h LEU 405 Ca 0.14 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.82 2pwe h LEU 405 Cb 0.45 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2pwe h LEU 405 CO 0.02 -0.04 -0.02 0.25 -0.34 0.00 0.00 178.44 178.31 2pwe h LEU 406 N -0.48 -0.19 -1.03 2.25 5.85 -1.12 0.48 115.31 121.07 2pwe h LEU 406 Ca -0.03 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.95 2pwe h LEU 406 Cb 0.36 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 2pwe h LEU 406 CO 0.05 -0.06 0.62 0.74 -0.34 0.00 0.00 178.44 179.46 2pwe h THR 407 N 0.09 0.79 0.00 1.05 2.02 -1.08 -1.29 112.91 114.49 2pwe h THR 407 Ca 0.19 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.95 2pwe h THR 407 Cb 0.27 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 2pwe h THR 407 CO -0.33 0.15 -0.71 0.78 0.37 0.00 0.00 175.52 175.78 2pwe h ASN 408 N 0.84 0.00 0.17 4.18 4.21 -1.10 -3.36 115.58 120.52 2pwe h ASN 408 Ca 0.54 -0.68 -0.01 0.00 1.21 0.00 0.00 56.30 57.36 2pwe h ASN 408 Cb 0.75 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.95 2pwe h ASN 408 CO -0.33 1.26 -0.05 -0.37 -1.29 0.00 0.00 177.43 176.65 2pwe h VAL 409 N -1.00 0.50 -0.07 2.81 -1.51 -0.02 0.84 116.25 117.80 2pwe h VAL 409 Ca -0.19 -0.24 0.02 0.00 -1.23 0.00 0.00 66.70 65.06 2pwe h VAL 409 Cb 1.14 1.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2pwe h VAL 409 CO -0.12 0.05 0.12 0.00 -1.23 0.00 0.00 177.57 176.39 2pwe h ALA 410 N 1.95 1.49 0.00 5.19 0.00 -1.37 0.19 119.26 126.71 2pwe h ALA 410 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pwe h ALA 410 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2pwe h ALA 410 CO 0.01 -0.15 -1.56 1.28 0.00 0.00 0.00 179.25 178.82 2pwe n LEU 411 N -3.54 0.39 -0.00 0.00 4.77 0.28 -4.57 117.00 114.33 2pwe n LEU 411 Ca -0.01 -0.13 0.01 0.00 -0.03 0.00 0.00 56.01 55.85 2pwe n LEU 411 Cb 0.21 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2pwe n LEU 411 CO 0.24 0.07 -0.53 0.35 -1.33 0.00 0.00 177.39 176.19 2pwe n THR 412 N -2.02 0.00 -1.65 -5.08 -2.24 -0.74 -4.67 114.28 97.88 2pwe n THR 412 Ca -0.01 -0.06 -0.44 0.00 -2.27 0.00 0.00 64.05 61.27 2pwe n THR 412 Cb 0.48 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 2pwe n THR 412 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pwe n SER 413 N -1.59 2.07 0.12 3.42 2.88 0.60 -3.99 113.62 117.12 2pwe n SER 413 Ca -0.00 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.84 2pwe n SER 413 Cb 0.07 -1.39 0.47 0.00 -0.75 0.00 0.00 64.21 62.61 2pwe n SER 413 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2pwe n ARG 414 N 0.68 0.18 0.29 -1.46 1.85 -1.26 -2.18 116.66 114.75 2pwe n ARG 414 Ca 0.07 0.39 0.17 0.00 -1.00 0.00 0.00 57.85 57.48 2pwe n ARG 414 Cb 0.34 -1.83 0.87 0.00 -1.05 0.00 0.00 32.46 30.78 2pwe n ARG 414 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2pwe h ASP 415 N 0.00 0.00 0.11 2.89 3.32 -1.88 -0.16 116.42 120.70 2pwe h ASP 415 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2pwe h ASP 415 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2pwe h ASP 415 CO 0.00 0.06 -0.04 0.78 -1.72 0.00 0.00 179.24 178.32 2pwe h ASN 416 N 0.00 0.00 0.19 6.45 2.35 -1.73 -1.13 115.58 121.72 2pwe h ASN 416 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pwe h ASN 416 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2pwe h ASN 416 CO 0.01 0.04 -0.42 0.00 -1.65 0.00 0.00 177.43 175.41 2pwe n ALA 417 N -2.29 3.42 0.67 -0.83 0.00 -0.08 -4.35 120.51 117.05 2pwe n ALA 417 Ca -0.03 -0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.03 2pwe n ALA 417 Cb 0.13 -1.01 0.09 0.00 0.00 0.00 0.00 19.45 18.66 2pwe n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pwe n ARG 418 N -0.70 1.68 -2.26 0.00 1.74 -0.43 -4.89 116.66 111.80 2pwe n ARG 418 Ca 0.10 -1.68 -0.37 0.00 -0.77 0.00 0.00 57.85 55.13 2pwe n ARG 418 Cb 0.37 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 2pwe n ARG 418 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2pwe s THR 419 N -1.49 3.12 0.19 0.55 -4.23 -1.21 -4.78 115.64 107.79 2pwe s THR 419 Ca 0.23 0.81 -0.31 0.00 -1.18 0.00 0.00 61.69 61.24 2pwe s THR 419 Cb 0.16 -3.39 -0.16 0.00 1.34 0.00 0.00 72.50 70.45 2pwe s THR 419 CO 0.23 -0.05 0.97 -2.65 -0.54 0.00 0.00 174.62 172.59 2pwe n PRO 420 N -0.67 0.83 -1.74 3.99 -0.02 -1.26 -4.90 135.00 131.23 2pwe n PRO 420 Ca 0.08 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2pwe n PRO 420 Cb 0.49 -1.64 -0.01 0.00 -0.02 0.00 0.00 33.50 32.32 2pwe n PRO 420 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2pwe n PHE 421 N 0.84 2.66 -3.24 6.00 -0.00 -0.53 -4.78 117.46 118.41 2pwe n PHE 421 Ca 0.15 0.46 -0.46 0.00 -0.00 0.00 0.00 57.45 57.60 2pwe n PHE 421 Cb 0.25 -2.49 -0.03 0.00 -0.00 0.00 0.00 39.48 37.20 2pwe n PHE 421 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2pwe s GLN 422 N -1.69 3.35 0.02 -4.13 -0.21 -1.26 -4.49 119.66 111.25 2pwe s GLN 422 Ca 0.56 -1.99 -0.18 0.00 0.02 0.00 0.00 55.36 53.77 2pwe s GLN 422 Cb -0.52 -4.43 -0.27 0.00 1.00 0.00 0.00 33.01 28.79 2pwe s GLN 422 CO 0.60 -1.40 1.08 -1.49 -2.12 0.00 0.00 175.29 171.96 2pwe h TRP 423 N 8.43 0.79 -1.18 0.91 4.06 -1.52 0.97 115.95 128.42 2pwe h TRP 423 Ca -0.06 -0.47 0.00 0.00 2.06 0.00 0.00 58.89 60.42 2pwe h TRP 423 Cb 1.06 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 2pwe h TRP 423 CO 0.94 1.32 0.00 -0.40 -3.56 0.00 0.00 178.44 176.74 2pwe n ASP 424 N -4.02 0.00 -1.50 -3.49 5.68 -0.55 -0.03 116.55 112.64 2pwe n ASP 424 Ca -0.12 -0.18 -0.11 0.00 -0.50 0.00 0.00 54.79 53.88 2pwe n ASP 424 Cb 0.83 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.98 2pwe n ASP 424 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2pwe n ASP 425 N -0.20 3.20 -3.66 -1.12 5.68 -1.26 -4.26 116.55 114.93 2pwe n ASP 425 Ca 0.00 -3.77 -0.20 0.00 -0.50 0.00 0.00 54.79 50.33 2pwe n ASP 425 Cb 0.00 -0.67 0.12 0.00 -1.14 0.00 0.00 41.12 39.43 2pwe n ASP 425 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pwe n SER 426 N -1.09 0.52 -4.62 -1.12 3.41 -1.26 -4.87 113.62 104.59 2pwe n SER 426 Ca 0.41 -1.60 -0.48 0.00 -0.26 0.00 0.00 58.87 56.95 2pwe n SER 426 Cb 1.12 -0.63 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 2pwe n SER 426 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwe n ALA 427 N -3.30 0.11 -3.97 7.33 0.00 -1.26 -1.59 120.51 117.83 2pwe n ALA 427 Ca -0.14 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2pwe n ALA 427 Cb 0.44 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.74 2pwe n ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pwe n ASN 428 N 2.33 -3.56 -1.88 0.00 5.03 -1.26 -1.70 115.26 114.22 2pwe n ASN 428 Ca 0.15 -0.86 -0.09 0.00 0.87 0.00 0.00 54.58 54.64 2pwe n ASN 428 Cb 0.27 -3.56 -0.02 0.00 -1.02 0.00 0.00 39.78 35.44 2pwe n ASN 428 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pwe n ALA 429 N -4.54 -0.50 -1.02 5.41 0.00 -0.62 -0.74 120.51 118.50 2pwe n ALA 429 Ca -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2pwe n ALA 429 Cb 0.55 -1.15 -0.00 0.00 0.00 0.00 0.00 19.45 18.85 2pwe n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwe n GLY 430 N -0.46 0.48 0.12 0.00 0.00 -0.69 -1.33 105.19 103.32 2pwe n GLY 430 Ca -0.10 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 2pwe n GLY 430 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pwe h PHE 431 N 0.00 0.62 -3.39 1.61 3.57 -1.13 -3.45 116.94 114.77 2pwe h PHE 431 Ca -0.02 -0.45 -0.07 0.00 3.53 0.00 0.00 57.97 60.96 2pwe h PHE 431 Cb 0.14 -0.02 -0.15 0.00 2.79 0.00 0.00 35.95 38.71 2pwe h PHE 431 CO 0.08 1.38 -0.18 -0.08 -2.23 0.00 0.00 178.31 177.28 2pwe s THR 432 N -2.63 0.08 -2.82 4.41 -1.32 -1.26 -1.53 115.64 110.57 2pwe s THR 432 Ca -0.06 -0.70 0.25 0.00 -1.21 0.00 0.00 61.69 59.97 2pwe s THR 432 Cb 0.06 -1.11 0.25 0.00 -1.51 0.00 0.00 72.50 70.20 2pwe s THR 432 CO 0.90 -0.39 1.36 0.35 -2.21 0.00 0.00 174.62 174.63 2pwe n THR 433 N 0.13 0.00 -0.77 5.08 -2.24 -1.26 -4.68 114.28 110.53 2pwe n THR 433 Ca -0.17 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2pwe n THR 433 Cb 0.62 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 70.11 2pwe n THR 433 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwe n GLY 434 N 1.32 5.02 3.51 3.38 0.00 -1.26 -4.98 105.19 112.18 2pwe n GLY 434 Ca 0.15 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.10 2pwe n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwe s LYS 435 N 3.85 3.70 0.44 1.61 2.20 -1.26 -4.92 119.74 125.37 2pwe s LYS 435 Ca 0.00 -0.47 -0.26 0.00 -0.36 0.00 0.00 55.97 54.88 2pwe s LYS 435 Cb 0.00 -3.53 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 2pwe s LYS 435 CO 0.00 -0.24 1.41 -1.25 -0.36 0.00 0.00 175.35 174.91 2pwe s PRO 436 N 1.68 3.77 0.51 4.03 0.04 -1.26 -3.89 135.00 139.88 2pwe s PRO 436 Ca 0.06 2.39 0.16 0.00 0.04 0.00 0.00 61.00 63.65 2pwe s PRO 436 Cb -0.16 -2.70 1.25 0.00 0.04 0.00 0.00 34.50 32.93 2pwe s PRO 436 CO 0.07 -0.74 2.13 0.11 0.04 0.00 0.00 177.00 178.61 2pwe h TRP 437 N 2.44 0.04 -3.58 0.56 5.08 -1.51 -3.39 115.95 115.59 2pwe h TRP 437 Ca -0.51 0.00 -0.39 0.00 1.08 0.00 0.00 58.89 59.07 2pwe h TRP 437 Cb 1.26 -0.01 -0.33 0.00 -3.00 0.00 0.00 29.16 27.08 2pwe h TRP 437 CO 0.51 0.02 -0.77 -1.17 -1.28 0.00 0.00 178.44 175.75 2pwe s LEU 438 N -9.08 1.49 0.30 0.11 2.96 -1.26 -5.07 118.68 108.13 2pwe s LEU 438 Ca -0.05 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.45 2pwe s LEU 438 Cb 0.17 -0.42 -0.14 0.00 0.50 0.00 0.00 46.19 46.30 2pwe s LEU 438 CO 0.68 -0.02 1.11 0.29 -1.32 0.00 0.00 176.35 177.09 2pwe n LYS 439 N 3.77 1.59 -2.48 1.98 5.02 -1.26 -4.38 118.16 122.39 2pwe n LYS 439 Ca -0.23 0.56 -0.36 0.00 -2.02 0.00 0.00 58.31 56.26 2pwe n LYS 439 Cb 0.52 -2.01 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 2pwe n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pwe s VAL 440 N -0.98 3.60 0.21 -0.18 1.01 -1.26 -4.52 120.40 118.28 2pwe s VAL 440 Ca 0.59 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 2pwe s VAL 440 Cb -0.67 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 2pwe s VAL 440 CO 0.60 -0.06 1.34 0.21 0.00 0.00 0.00 175.10 177.19 2pwe s ASN 441 N -1.63 6.84 0.62 3.32 3.84 -1.26 -4.89 114.94 121.78 2pwe s ASN 441 Ca 0.62 2.47 0.35 0.00 0.21 0.00 0.00 52.86 56.50 2pwe s ASN 441 Cb -0.22 -2.61 2.03 0.00 -0.55 0.00 0.00 41.25 39.90 2pwe s ASN 441 CO 0.27 -0.57 2.27 -0.65 -2.79 0.00 0.00 177.10 175.63 2pwe h PRO 442 N 5.32 0.00 -0.09 0.43 0.11 -1.98 -2.36 132.00 133.42 2pwe h PRO 442 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pwe h PRO 442 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwe h PRO 442 CO 0.78 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.84 2pwe n ASN 443 N -3.53 0.09 0.29 -2.05 0.23 -1.26 -3.34 115.26 105.70 2pwe n ASN 443 Ca -0.02 -1.24 0.18 0.00 -0.53 0.00 0.00 54.58 52.97 2pwe n ASN 443 Cb 0.11 -0.05 0.83 0.00 -2.08 0.00 0.00 39.78 38.59 2pwe n ASN 443 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2pwe h TYR 444 N 0.06 0.00 0.00 -2.53 -0.00 -1.61 0.36 116.97 113.25 2pwe h TYR 444 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 2pwe h TYR 444 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.77 2pwe h TYR 444 CO 0.00 0.02 -0.15 1.79 -0.00 0.00 0.00 178.16 179.82 2pwe h THR 445 N 0.00 0.87 0.00 -0.90 1.35 -1.85 -3.12 112.91 109.26 2pwe h THR 445 Ca -0.00 -0.56 -0.20 0.00 -0.55 0.00 0.00 66.41 65.10 2pwe h THR 445 Cb 0.37 1.32 -0.04 0.00 -1.73 0.00 0.00 68.15 68.07 2pwe h THR 445 CO 0.00 0.15 -1.82 -0.62 -0.25 0.00 0.00 175.52 172.98 2pwe n GLU 446 N -4.02 1.80 -3.87 4.72 -0.58 -0.75 -4.90 120.64 113.04 2pwe n GLU 446 Ca -0.02 -0.02 -0.35 0.00 -0.42 0.00 0.00 57.16 56.35 2pwe n GLU 446 Cb 0.23 -1.32 -0.13 0.00 -0.57 0.00 0.00 31.44 29.66 2pwe n GLU 446 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2pwe s ILE 447 N -2.37 2.97 0.01 -3.67 1.01 0.04 -4.98 121.20 114.22 2pwe s ILE 447 Ca -0.06 -1.95 -0.28 0.00 0.00 0.00 0.00 60.65 58.36 2pwe s ILE 447 Cb 0.04 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.60 2pwe s ILE 447 CO 0.51 -0.51 0.67 0.54 0.00 0.00 0.00 174.94 176.15 2pwe s ASN 448 N 1.47 -0.62 0.21 3.58 2.20 -1.26 -4.31 114.94 116.22 2pwe s ASN 448 Ca 0.05 0.47 -0.09 0.00 -0.94 0.00 0.00 52.86 52.35 2pwe s ASN 448 Cb -0.21 0.55 0.21 0.00 -2.00 0.00 0.00 41.25 39.80 2pwe s ASN 448 CO -0.04 -0.71 1.85 0.00 -2.94 0.00 0.00 177.10 175.25 2pwe h ALA 449 N 2.65 0.96 -0.69 3.54 0.00 -0.39 -2.75 119.26 122.58 2pwe h ALA 449 Ca -0.29 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.66 2pwe h ALA 449 Cb 1.20 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2pwe h ALA 449 CO 0.38 0.23 0.40 0.00 0.00 0.00 0.00 179.25 180.26 2pwe h ALA 450 N 1.32 0.93 0.00 0.00 0.00 -0.73 0.13 119.26 120.91 2pwe h ALA 450 Ca 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.14 2pwe h ALA 450 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2pwe h ALA 450 CO -0.12 0.09 -0.37 -0.09 0.00 0.00 0.00 179.25 178.76 2pwe h ARG 451 N 0.73 0.00 0.02 0.00 2.43 -1.76 -3.28 114.38 112.51 2pwe h ARG 451 Ca 0.31 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 59.16 2pwe h ARG 451 Cb 0.18 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2pwe h ARG 451 CO -0.18 0.37 -1.87 0.39 -1.51 0.00 0.00 179.97 177.18 2pwe n GLU 452 N -3.81 0.66 -0.24 0.20 1.02 -0.70 -4.25 120.64 113.51 2pwe n GLU 452 Ca -0.01 0.24 0.02 0.00 -0.02 0.00 0.00 57.16 57.39 2pwe n GLU 452 Cb 0.44 -1.74 0.14 0.00 -0.02 0.00 0.00 31.44 30.27 2pwe n GLU 452 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2pwe h ILE 453 N 0.01 0.79 -0.01 -3.67 1.08 -0.83 -2.18 117.51 112.71 2pwe h ILE 453 Ca -0.35 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2pwe h ILE 453 Cb 2.05 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2pwe h ILE 453 CO 0.07 0.10 -0.10 0.61 -0.69 0.00 0.00 178.15 178.13 2pwe n GLY 454 N -1.30 -0.75 3.44 5.37 0.00 -1.26 -4.79 105.19 105.89 2pwe n GLY 454 Ca 0.11 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2pwe n GLY 454 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwe s ASP 455 N -2.35 5.84 0.56 1.61 2.15 -0.82 -4.96 116.67 118.69 2pwe s ASP 455 Ca 0.32 -0.77 0.28 0.00 0.43 0.00 0.00 52.55 52.81 2pwe s ASP 455 Cb 0.20 -2.07 1.47 0.00 -0.30 0.00 0.00 42.92 42.23 2pwe s ASP 455 CO 0.45 -0.33 1.95 -0.65 -0.17 0.00 0.00 175.17 176.42 2pwe h PRO 456 N 8.47 0.00 -0.29 4.34 0.11 -1.87 -1.02 132.00 141.75 2pwe h PRO 456 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2pwe h PRO 456 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pwe h PRO 456 CO 0.67 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.09 2pwe n LYS 457 N -4.03 2.14 -1.57 1.05 5.02 -1.26 -4.67 118.16 114.84 2pwe n LYS 457 Ca 0.10 -1.73 -0.29 0.00 -2.02 0.00 0.00 58.31 54.36 2pwe n LYS 457 Cb 0.65 -1.45 0.10 0.00 -0.02 0.00 0.00 35.03 34.31 2pwe n LYS 457 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pwe s SER 458 N -1.50 4.18 0.12 4.39 1.04 -0.39 -4.90 113.70 116.64 2pwe s SER 458 Ca 0.35 1.16 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 2pwe s SER 458 Cb 0.20 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.46 2pwe s SER 458 CO 0.29 -2.15 1.66 0.58 0.98 0.00 0.00 173.24 174.60 2pwe h VAL 459 N -1.22 1.19 -0.48 5.02 2.07 -1.88 -2.03 116.25 118.93 2pwe h VAL 459 Ca -0.48 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 66.54 2pwe h VAL 459 Cb 1.29 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 2pwe h VAL 459 CO 0.61 0.20 0.01 0.22 0.02 0.00 0.00 177.57 178.63 2pwe h TYR 460 N 0.39 -0.00 -0.13 1.57 3.20 -1.59 -0.44 116.97 119.95 2pwe h TYR 460 Ca 0.11 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 2pwe h TYR 460 Cb 0.20 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2pwe h TYR 460 CO -0.00 -0.09 -0.30 0.77 -1.64 0.00 0.00 178.16 176.90 2pwe h SER 461 N 0.13 0.25 -0.35 -2.11 0.02 -1.75 -1.12 113.55 108.61 2pwe h SER 461 Ca 0.24 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2pwe h SER 461 Cb 0.35 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2pwe h SER 461 CO -0.39 0.55 -0.09 0.15 -1.14 0.00 0.00 176.83 175.91 2pwe h PHE 462 N 0.22 0.77 -0.26 3.45 3.57 -0.51 -0.88 116.94 123.30 2pwe h PHE 462 Ca 0.03 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.36 2pwe h PHE 462 Cb 0.65 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2pwe h PHE 462 CO 0.01 0.85 0.16 1.88 -2.23 0.00 0.00 178.31 178.98 2pwe h TYR 463 N 0.47 0.34 -0.65 0.41 -1.99 -0.81 -0.62 116.97 114.12 2pwe h TYR 463 Ca 0.09 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.86 2pwe h TYR 463 Cb 0.60 -0.11 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 2pwe h TYR 463 CO 0.05 0.24 0.38 -0.09 -0.00 0.00 0.00 178.16 178.75 2pwe h ARG 464 N 0.33 0.71 -0.45 4.88 2.43 -1.09 0.73 114.38 121.92 2pwe h ARG 464 Ca 0.09 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2pwe h ARG 464 Cb -0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2pwe h ARG 464 CO -0.02 0.47 -0.05 -0.91 -1.51 0.00 0.00 179.97 177.95 2pwe h ASN 465 N 0.73 0.75 -0.49 -3.80 2.35 -0.82 -1.83 115.58 112.48 2pwe h ASN 465 Ca 0.28 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 2pwe h ASN 465 Cb 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2pwe h ASN 465 CO -0.14 0.85 0.06 -0.07 -1.65 0.00 0.00 177.43 176.48 2pwe h LEU 466 N 0.71 0.79 -1.31 1.61 3.38 -0.39 -1.30 115.31 118.81 2pwe h LEU 466 Ca 0.13 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 2pwe h LEU 466 Cb 0.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2pwe h LEU 466 CO 0.03 0.87 0.33 0.40 0.09 0.00 0.00 178.44 180.15 2pwe h ILE 467 N 0.69 1.17 -0.15 1.22 2.04 -0.56 0.11 117.51 122.03 2pwe h ILE 467 Ca 0.15 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2pwe h ILE 467 Cb 0.43 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2pwe h ILE 467 CO 0.01 0.19 -0.02 0.28 0.00 0.00 0.00 178.15 178.61 2pwe h SER 468 N 0.80 0.28 -0.66 1.72 0.02 -0.96 -1.51 113.55 113.25 2pwe h SER 468 Ca 0.21 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2pwe h SER 468 Cb 0.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2pwe h SER 468 CO -0.04 0.56 0.33 0.40 -1.14 0.00 0.00 176.83 176.94 2pwe h ILE 469 N 0.00 1.22 0.14 3.27 2.04 -0.85 -1.67 117.51 121.66 2pwe h ILE 469 Ca 0.04 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 2pwe h ILE 469 Cb 0.42 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2pwe h ILE 469 CO 0.01 0.25 -0.07 -0.09 0.00 0.00 0.00 178.15 178.26 2pwe h ARG 470 N 0.91 -0.18 -0.71 2.37 2.43 -0.70 -1.63 114.38 116.86 2pwe h ARG 470 Ca 0.23 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.58 2pwe h ARG 470 Cb 0.10 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 2pwe h ARG 470 CO -0.03 -0.11 0.49 0.45 -1.51 0.00 0.00 179.97 179.27 2pwe h HIS 471 N -0.21 0.25 -0.09 2.20 3.86 -1.03 -0.97 115.15 119.16 2pwe h HIS 471 Ca -0.02 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2pwe h HIS 471 Cb 0.16 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2pwe h HIS 471 CO -0.06 0.09 0.00 0.39 0.86 0.00 0.00 177.93 179.20 2pwe n GLU 472 N -4.41 1.94 -3.78 2.45 4.71 -0.65 -4.75 120.64 116.15 2pwe n GLU 472 Ca 0.14 -1.38 -0.30 0.00 -0.01 0.00 0.00 57.16 55.61 2pwe n GLU 472 Cb 0.64 -1.46 -0.15 0.00 -1.01 0.00 0.00 31.44 29.46 2pwe n GLU 472 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 2pwe s THR 473 N -1.91 1.21 0.22 2.62 2.01 -0.37 -5.02 115.64 114.41 2pwe s THR 473 Ca 0.34 -1.79 -0.10 0.00 0.31 0.00 0.00 61.69 60.45 2pwe s THR 473 Cb 0.20 -1.90 0.24 0.00 0.01 0.00 0.00 72.50 71.05 2pwe s THR 473 CO 0.31 -0.71 1.64 -0.65 -0.69 0.00 0.00 174.62 174.52 2pwe h PRO 474 N 7.73 0.07 -0.26 4.92 0.11 -1.85 0.51 132.00 143.23 2pwe h PRO 474 Ca -0.10 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.09 2pwe h PRO 474 Cb 1.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2pwe h PRO 474 CO 0.48 0.05 0.26 0.00 -0.21 0.00 0.00 178.00 178.58 2pwe h ALA 475 N 1.64 1.95 0.00 -0.75 0.00 -1.90 -1.33 119.26 118.87 2pwe h ALA 475 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pwe h ALA 475 Cb 0.58 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pwe h ALA 475 CO -0.62 -0.40 0.00 1.28 0.00 0.00 0.00 179.25 179.51 2pwe n LEU 476 N -3.87 0.74 -0.01 0.00 4.77 0.17 -1.41 117.00 117.38 2pwe n LEU 476 Ca 0.03 0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 56.62 2pwe n LEU 476 Cb 0.41 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2pwe n LEU 476 CO 0.29 -0.42 -0.21 -1.54 -1.33 0.00 0.00 177.39 174.18 2pwe n SER 477 N -2.26 0.91 -0.63 -1.43 3.41 -0.56 -4.47 113.62 108.60 2pwe n SER 477 Ca 0.03 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 2pwe n SER 477 Cb 0.31 -0.43 0.39 0.00 -0.26 0.00 0.00 64.21 64.22 2pwe n SER 477 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pwe n THR 478 N -3.39 0.00 -1.02 6.66 -2.24 -0.86 -3.67 114.28 109.76 2pwe n THR 478 Ca -0.04 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.12 2pwe n THR 478 Cb 0.16 0.82 0.19 0.00 -2.10 0.00 0.00 70.33 69.40 2pwe n THR 478 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pwe s GLY 479 N -2.00 1.57 0.99 3.38 0.00 -0.50 -4.96 107.32 105.80 2pwe s GLY 479 Ca 0.35 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.71 2pwe s GLY 479 CO 0.32 0.38 1.10 -1.35 0.00 0.00 0.00 173.10 173.55 2pwe s SER 480 N -3.22 2.67 -0.02 1.64 1.04 -0.12 -4.70 113.70 110.99 2pwe s SER 480 Ca 0.66 1.16 0.02 0.00 0.48 0.00 0.00 55.95 58.27 2pwe s SER 480 Cb -0.20 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.10 2pwe s SER 480 CO 0.59 -3.10 -0.08 -0.47 0.98 0.00 0.00 173.24 171.16 2pwe s TYR 481 N -2.99 0.81 -0.12 5.02 5.04 -1.26 -2.72 117.35 121.13 2pwe s TYR 481 Ca 0.65 -0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 55.05 2pwe s TYR 481 Cb -0.18 -0.58 0.06 0.00 0.35 0.00 0.00 41.96 41.60 2pwe s TYR 481 CO 0.57 -0.08 0.22 0.50 -1.34 0.00 0.00 175.55 175.42 2pwe s ARG 482 N 0.18 0.11 -0.29 4.97 3.52 -0.65 -4.99 118.95 121.80 2pwe s ARG 482 Ca -0.02 0.65 -0.29 0.00 -0.13 0.00 0.00 55.73 55.94 2pwe s ARG 482 Cb -0.08 -0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.13 2pwe s ARG 482 CO 0.00 -0.31 1.36 0.34 -0.81 0.00 0.00 175.30 175.88 2pwe s ASP 483 N 2.37 6.62 0.33 -2.12 -1.08 -1.26 -1.58 116.67 119.95 2pwe s ASP 483 Ca 0.02 1.28 0.04 0.00 -0.52 0.00 0.00 52.55 53.37 2pwe s ASP 483 Cb -0.12 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.45 2pwe s ASP 483 CO -0.08 -1.12 1.93 0.40 0.52 0.00 0.00 175.17 176.83 2pwe h ILE 484 N 6.00 1.02 -1.11 4.11 1.08 -1.43 -3.40 117.51 123.78 2pwe h ILE 484 Ca -0.28 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 63.77 2pwe h ILE 484 Cb 1.11 0.08 -0.20 0.00 -3.07 0.00 0.00 36.82 34.74 2pwe h ILE 484 CO 1.03 0.16 -0.49 -0.62 -0.69 0.00 0.00 178.15 177.53 2pwe s ASP 485 N -6.08 -1.21 0.59 1.72 2.15 -1.26 -5.02 116.67 107.55 2pwe s ASP 485 Ca -0.10 -1.18 0.30 0.00 0.43 0.00 0.00 52.55 52.00 2pwe s ASP 485 Cb 0.20 1.77 1.40 0.00 -0.30 0.00 0.00 42.92 45.99 2pwe s ASP 485 CO 0.79 -0.14 1.78 -0.65 -0.17 0.00 0.00 175.17 176.77 2pwe h PRO 486 N 6.41 0.00 0.00 4.34 0.11 -1.95 -1.65 132.00 139.26 2pwe h PRO 486 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2pwe h PRO 486 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2pwe h PRO 486 CO 0.09 0.00 -0.52 0.66 -0.21 0.00 0.00 178.00 178.02 2pwe h SER 487 N 0.00 0.00 -2.61 -2.05 4.64 -1.95 -3.43 113.55 108.15 2pwe h SER 487 Ca 0.32 -0.09 -0.55 0.00 -0.47 0.00 0.00 61.79 61.00 2pwe h SER 487 Cb 1.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2pwe h SER 487 CO -0.00 0.04 1.11 0.21 -0.87 0.00 0.00 176.83 177.32 2pwe s ASN 488 N -4.93 6.58 -0.16 4.97 3.84 -0.62 -4.83 114.94 119.79 2pwe s ASN 488 Ca 0.05 2.14 0.17 0.00 0.21 0.00 0.00 52.86 55.43 2pwe s ASN 488 Cb 0.11 -2.53 0.74 0.00 -0.55 0.00 0.00 41.25 39.01 2pwe s ASN 488 CO 0.71 -1.01 1.65 0.00 -2.79 0.00 0.00 177.10 175.66 2pwe n ALA 489 N 7.49 3.34 -0.02 1.71 0.00 -1.26 -4.13 120.51 127.63 2pwe n ALA 489 Ca 0.18 -1.76 -0.06 0.00 0.00 0.00 0.00 53.44 51.80 2pwe n ALA 489 Cb 0.43 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2pwe n ALA 489 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pwe n ASP 490 N 0.82 0.68 -4.18 0.00 8.00 -1.26 -4.33 116.55 116.28 2pwe n ASP 490 Ca 0.26 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.54 2pwe n ASP 490 Cb 0.99 -0.25 -0.16 0.00 -0.02 0.00 0.00 41.12 41.67 2pwe n ASP 490 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pwe s VAL 491 N -2.14 2.09 -0.39 2.53 1.01 -1.26 -1.44 120.40 120.80 2pwe s VAL 491 Ca -0.08 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 2pwe s VAL 491 Cb 0.03 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2pwe s VAL 491 CO 0.11 0.55 0.71 -0.47 0.00 0.00 0.00 175.10 176.00 2pwe s TYR 492 N 0.78 3.10 -0.05 5.22 5.04 0.09 -4.88 117.35 126.64 2pwe s TYR 492 Ca -0.08 0.33 0.03 0.00 -2.44 0.00 0.00 57.07 54.91 2pwe s TYR 492 Cb -0.16 -3.35 0.01 0.00 0.35 0.00 0.00 41.96 38.81 2pwe s TYR 492 CO -0.01 -0.76 -0.12 0.00 -1.34 0.00 0.00 175.55 173.32 2pwe s ALA 493 N 2.96 1.19 0.21 3.97 0.00 -1.26 -0.99 121.76 127.84 2pwe s ALA 493 Ca 0.27 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.65 2pwe s ALA 493 Cb -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2pwe s ALA 493 CO 0.18 0.14 0.52 1.52 0.00 0.00 0.00 175.76 178.11 2pwe s TYR 494 N 0.49 -0.02 0.18 0.00 1.13 -0.59 -1.00 117.35 117.54 2pwe s TYR 494 Ca -0.11 -0.34 0.11 0.00 -1.41 0.00 0.00 57.07 55.32 2pwe s TYR 494 Cb -0.14 0.36 -0.04 0.00 -1.10 0.00 0.00 41.96 41.04 2pwe s TYR 494 CO 0.03 -0.94 -0.20 0.95 -2.51 0.00 0.00 175.55 172.88 2pwe s THR 495 N -3.90 2.60 -0.03 -3.49 -4.23 -0.62 -0.24 115.64 105.74 2pwe s THR 495 Ca 0.12 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 2pwe s THR 495 Cb -0.01 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2pwe s THR 495 CO -0.00 -0.08 -0.10 -0.13 -0.54 0.00 0.00 174.62 173.77 2pwe s ARG 496 N -2.63 1.07 -0.02 3.99 1.81 -0.31 -1.64 118.95 121.21 2pwe s ARG 496 Ca 0.21 -0.32 -0.18 0.00 -1.72 0.00 0.00 55.73 53.72 2pwe s ARG 496 Cb -0.08 -0.98 0.03 0.00 -0.45 0.00 0.00 34.95 33.47 2pwe s ARG 496 CO 0.11 0.11 0.38 -1.54 -0.68 0.00 0.00 175.30 173.68 2pwe s SER 497 N 0.25 -0.28 -0.19 0.23 1.04 -1.10 -0.08 113.70 113.56 2pwe s SER 497 Ca -0.04 0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.41 2pwe s SER 497 Cb -0.10 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.43 2pwe s SER 497 CO 0.01 -0.49 0.51 -1.58 0.98 0.00 0.00 173.24 172.67 2pwe s GLN 498 N -1.35 0.60 -1.43 4.02 0.74 -0.23 -0.94 119.66 121.07 2pwe s GLN 498 Ca -0.13 0.72 -0.03 0.00 0.05 0.00 0.00 55.36 55.97 2pwe s GLN 498 Cb -0.04 0.28 0.00 0.00 1.10 0.00 0.00 33.01 34.36 2pwe s GLN 498 CO 0.05 -0.07 0.31 -0.25 -0.55 0.00 0.00 175.29 174.78 2pwe n ASP 499 N 2.85 -0.39 0.00 6.67 8.00 -1.26 -1.18 116.55 131.23 2pwe n ASP 499 Ca -0.14 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.24 2pwe n ASP 499 Cb 0.56 -2.49 0.00 0.00 -0.02 0.00 0.00 41.12 39.17 2pwe n ASP 499 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwe n GLY 500 N -2.18 2.47 3.74 0.44 0.00 -1.26 -4.99 105.19 103.41 2pwe n GLY 500 Ca -0.29 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2pwe n GLY 500 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pwe s GLU 501 N 0.00 4.55 -0.04 1.61 2.56 -0.33 -5.04 118.70 122.01 2pwe s GLU 501 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 54.97 56.81 2pwe s GLU 501 Cb 0.00 -3.24 0.01 0.00 2.00 0.00 0.00 34.13 32.90 2pwe s GLU 501 CO 0.00 0.02 -0.09 0.99 -0.56 0.00 0.00 175.26 175.62 2pwe s THR 502 N -0.36 0.82 0.12 -1.70 2.01 -1.26 -1.07 115.64 114.19 2pwe s THR 502 Ca 0.50 -0.35 0.11 0.00 0.31 0.00 0.00 61.69 62.25 2pwe s THR 502 Cb -0.32 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2pwe s THR 502 CO 0.37 0.26 -0.26 -0.31 -0.69 0.00 0.00 174.62 174.00 2pwe s TYR 503 N 0.38 2.34 -0.08 4.92 1.51 0.89 -2.12 117.35 125.19 2pwe s TYR 503 Ca -0.06 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2pwe s TYR 503 Cb -0.11 -1.28 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 2pwe s TYR 503 CO 0.01 0.33 -0.25 -1.17 -1.11 0.00 0.00 175.55 173.36 2pwe s LEU 504 N -1.99 2.08 -0.14 -1.29 2.96 0.18 -1.16 118.68 119.33 2pwe s LEU 504 Ca 0.14 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2pwe s LEU 504 Cb -0.10 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.20 2pwe s LEU 504 CO 0.06 0.21 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.43 2pwe s VAL 505 N 0.06 2.49 -0.09 1.68 1.01 0.67 -0.49 120.40 125.73 2pwe s VAL 505 Ca -0.10 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.04 2pwe s VAL 505 Cb -0.16 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2pwe s VAL 505 CO 0.06 0.53 -0.08 -0.69 0.00 0.00 0.00 175.10 174.92 2pwe s VAL 506 N 0.68 0.97 -0.14 2.92 1.01 -0.60 -1.54 120.40 123.69 2pwe s VAL 506 Ca -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2pwe s VAL 506 Cb -0.16 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.29 2pwe s VAL 506 CO 0.02 0.35 -0.03 -0.69 0.00 0.00 0.00 175.10 174.74 2pwe s VAL 507 N 1.42 0.87 -0.36 2.92 1.01 -0.16 -0.69 120.40 125.41 2pwe s VAL 507 Ca -0.01 -0.43 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 2pwe s VAL 507 Cb -0.13 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.19 2pwe s VAL 507 CO -0.05 0.14 1.03 0.21 0.00 0.00 0.00 175.10 176.44 2pwe s ASN 508 N 1.74 6.81 0.00 3.32 2.47 0.75 -0.73 114.94 129.30 2pwe s ASN 508 Ca 0.02 0.82 0.15 0.00 0.42 0.00 0.00 52.86 54.27 2pwe s ASN 508 Cb -0.15 -2.52 0.43 0.00 -1.45 0.00 0.00 41.25 37.57 2pwe s ASN 508 CO -0.07 -0.92 1.35 0.49 -3.72 0.00 0.00 177.10 174.23 2pwe n PHE 509 N 6.97 0.56 -4.29 0.43 3.01 -0.52 -3.43 117.46 120.19 2pwe n PHE 509 Ca 0.10 -0.28 -0.30 0.00 1.01 0.00 0.00 57.45 57.98 2pwe n PHE 509 Cb 0.48 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.84 2pwe n PHE 509 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pwe s LYS 510 N -1.44 2.14 -0.24 -1.08 -0.14 -1.26 -4.93 119.74 112.81 2pwe s LYS 510 Ca 0.31 -1.00 -0.02 0.00 -1.36 0.00 0.00 55.97 53.90 2pwe s LYS 510 Cb 0.16 -2.30 0.09 0.00 -1.68 0.00 0.00 37.83 34.09 2pwe s LYS 510 CO 0.21 0.52 2.32 0.00 -0.76 0.00 0.00 175.35 177.64 2pwe n ALA 511 N 0.85 5.24 -3.33 5.17 0.00 -1.26 -1.43 120.51 125.74 2pwe n ALA 511 Ca -0.14 -1.55 -0.15 0.00 0.00 0.00 0.00 53.44 51.60 2pwe n ALA 511 Cb 0.52 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2pwe n ALA 511 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pwe s GLU 512 N -1.09 0.85 0.44 0.00 2.02 -1.26 -4.85 118.70 114.81 2pwe s GLU 512 Ca 0.33 -0.05 -0.25 0.00 0.02 0.00 0.00 54.97 55.02 2pwe s GLU 512 Cb 0.22 0.39 -0.09 0.00 0.10 0.00 0.00 34.13 34.75 2pwe s GLU 512 CO -0.04 -0.26 1.31 -2.30 0.02 0.00 0.00 175.26 173.99 2pwe n PRO 513 N 1.03 1.97 -3.82 0.39 -0.02 -1.26 -4.19 135.00 129.11 2pwe n PRO 513 Ca -0.20 0.70 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 2pwe n PRO 513 Cb 0.57 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2pwe n PRO 513 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2pwe s ARG 514 N -2.32 0.86 0.15 -0.52 1.81 -0.74 -4.99 118.95 113.22 2pwe s ARG 514 Ca 0.62 -0.87 0.10 0.00 -1.72 0.00 0.00 55.73 53.86 2pwe s ARG 514 Cb -0.49 0.36 -0.04 0.00 -0.45 0.00 0.00 34.95 34.33 2pwe s ARG 514 CO 0.57 -0.28 -0.23 -1.54 -0.68 0.00 0.00 175.30 173.13 2pwe s SER 515 N -2.75 3.12 -0.09 0.23 1.04 -1.26 0.11 113.70 114.10 2pwe s SER 515 Ca 0.03 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.67 2pwe s SER 515 Cb 0.04 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.97 2pwe s SER 515 CO -0.10 0.10 -0.08 0.12 0.98 0.00 0.00 173.24 174.26 2pwe s PHE 516 N -1.47 1.33 -0.27 5.02 5.36 0.19 -4.96 117.98 123.17 2pwe s PHE 516 Ca 0.16 -0.57 -0.11 0.00 -0.96 0.00 0.00 56.93 55.44 2pwe s PHE 516 Cb -0.08 -1.08 -0.05 0.00 -0.34 0.00 0.00 43.02 41.46 2pwe s PHE 516 CO 0.07 -0.39 0.19 0.99 -1.46 0.00 0.00 175.22 174.63 2pwe s THR 517 N 1.30 5.31 0.49 0.12 2.01 -1.26 -0.30 115.64 123.31 2pwe s THR 517 Ca -0.03 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 61.93 2pwe s THR 517 Cb -0.14 -3.53 -0.06 0.00 0.01 0.00 0.00 72.50 68.78 2pwe s THR 517 CO -0.03 0.26 1.27 -0.76 -0.69 0.00 0.00 174.62 174.67 2pwe s LEU 518 N 1.69 3.96 0.72 4.42 1.02 -0.73 -4.97 118.68 124.78 2pwe s LEU 518 Ca 0.07 2.57 -0.16 0.00 0.02 0.00 0.00 54.13 56.63 2pwe s LEU 518 Cb -0.16 -4.22 -0.05 0.00 0.02 0.00 0.00 46.19 41.79 2pwe s LEU 518 CO 0.10 -1.22 0.44 -2.65 0.02 0.00 0.00 176.35 173.04 2pwe n PRO 519 N -0.68 0.27 -1.65 1.29 -0.02 -1.26 -4.81 135.00 128.14 2pwe n PRO 519 Ca 0.08 0.13 -0.49 0.00 -2.02 0.00 0.00 63.50 61.20 2pwe n PRO 519 Cb 0.46 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.15 2pwe n PRO 519 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pwe n ASP 520 N 0.03 2.70 0.00 2.55 8.00 -1.26 -1.69 116.55 126.88 2pwe n ASP 520 Ca 0.09 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.66 2pwe n ASP 520 Cb 0.50 -1.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2pwe n ASP 520 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwe n GLY 521 N 3.45 1.13 3.87 0.44 0.00 -1.26 -5.02 105.19 107.80 2pwe n GLY 521 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2pwe n GLY 521 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pwe s MET 522 N -0.18 3.54 0.00 1.61 0.00 -0.68 -4.96 119.30 118.64 2pwe s MET 522 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 55.69 55.62 2pwe s MET 522 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 34.83 31.65 2pwe s MET 522 CO 0.00 0.74 0.05 -1.01 0.00 0.00 0.00 175.02 174.80 2pwe s HIS 523 N -1.09 0.12 0.38 4.11 3.76 -1.26 -4.75 115.29 116.55 2pwe s HIS 523 Ca 0.19 -0.25 -0.27 0.00 -0.15 0.00 0.00 55.06 54.57 2pwe s HIS 523 Cb -0.13 -0.10 -0.10 0.00 1.11 0.00 0.00 32.58 33.37 2pwe s HIS 523 CO 0.08 -0.20 1.35 0.42 -0.85 0.00 0.00 174.74 175.54 2pwe s ILE 524 N -1.15 2.50 -0.13 0.60 -1.09 -0.66 -0.21 121.20 121.05 2pwe s ILE 524 Ca -0.13 0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.69 2pwe s ILE 524 Cb -0.07 -3.29 -0.06 0.00 -1.58 0.00 0.00 42.46 37.46 2pwe s ILE 524 CO 0.00 0.09 -0.19 0.00 -1.23 0.00 0.00 174.94 173.61 2pwe n ALA 525 N 0.41 2.01 -3.09 9.38 0.00 0.23 -1.65 120.51 127.80 2pwe n ALA 525 Ca 0.02 -0.57 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2pwe n ALA 525 Cb 0.42 0.28 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 2pwe n ALA 525 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pwe s GLU 526 N -2.31 1.12 -0.22 0.00 -1.05 -0.94 -4.75 118.70 110.55 2pwe s GLU 526 Ca -0.20 -0.67 -0.07 0.00 -0.15 0.00 0.00 54.97 53.88 2pwe s GLU 526 Cb 0.07 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.22 2pwe s GLU 526 CO 0.26 -0.45 0.05 0.99 0.95 0.00 0.00 175.26 177.06 2pwe s THR 527 N -3.80 4.35 -0.06 1.83 2.01 -1.26 -1.35 115.64 117.36 2pwe s THR 527 Ca 0.03 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.64 2pwe s THR 527 Cb 0.01 -3.00 -0.31 0.00 0.01 0.00 0.00 72.50 69.21 2pwe s THR 527 CO -0.12 0.38 0.86 -0.07 -0.69 0.00 0.00 174.62 174.98 2pwe h LEU 528 N 7.71 0.44 -7.00 4.42 4.07 -1.42 -3.49 115.31 120.04 2pwe h LEU 528 Ca -0.37 -0.94 0.14 0.00 0.08 0.00 0.00 57.88 56.79 2pwe h LEU 528 Cb 1.18 -0.14 -0.21 0.00 1.08 0.00 0.00 40.66 42.56 2pwe h LEU 528 CO 0.61 1.40 0.63 -0.51 -1.08 0.00 0.00 178.44 179.49 2pwe s ILE 529 N -2.42 0.00 0.03 1.22 2.07 -1.16 -5.01 121.20 115.93 2pwe s ILE 529 Ca -0.14 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.02 2pwe s ILE 529 Cb 0.01 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 2pwe s ILE 529 CO 0.82 0.00 0.15 -1.61 -1.91 0.00 0.00 174.94 172.39 2pwe s GLU 530 N -1.87 0.60 0.04 3.50 2.02 -1.26 -1.62 118.70 120.11 2pwe s GLU 530 Ca 0.03 -0.61 0.09 0.00 0.02 0.00 0.00 54.97 54.50 2pwe s GLU 530 Cb -0.01 0.25 -0.03 0.00 0.10 0.00 0.00 34.13 34.44 2pwe s GLU 530 CO -0.03 -0.16 -0.24 -1.54 0.02 0.00 0.00 175.26 173.30 2pwe s SER 531 N -1.92 2.92 -1.39 -0.19 1.04 -0.17 -4.75 113.70 109.24 2pwe s SER 531 Ca -0.08 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2pwe s SER 531 Cb -0.03 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.83 2pwe s SER 531 CO -0.03 0.23 0.00 -1.20 0.98 0.00 0.00 173.24 173.22 2pwe n SER 532 N 1.83 -4.34 -4.66 7.02 7.64 -1.26 -2.46 113.62 117.39 2pwe n SER 532 Ca -0.17 0.21 -0.35 0.00 1.01 0.00 0.00 58.87 59.58 2pwe n SER 532 Cb 0.52 -3.76 -0.10 0.00 -1.01 0.00 0.00 64.21 59.87 2pwe n SER 532 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pwe s SER 533 N -2.12 5.20 0.25 6.43 0.15 -1.26 -4.62 113.70 117.73 2pwe s SER 533 Ca 0.00 0.11 0.21 0.00 0.70 0.00 0.00 55.95 56.97 2pwe s SER 533 Cb 0.00 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.85 2pwe s SER 533 CO 0.00 0.34 1.19 1.55 1.20 0.00 0.00 173.24 177.53 2pwe h PRO 534 N 5.42 0.00 -1.96 5.44 0.13 -1.97 -3.46 132.00 135.60 2pwe h PRO 534 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2pwe h PRO 534 Cb 1.19 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.10 2pwe h PRO 534 CO 0.56 0.10 0.12 0.00 -0.23 0.00 0.00 178.00 178.54 2pwe s ALA 535 N -3.22 -1.85 0.75 -0.56 0.00 -1.26 -5.16 121.76 110.46 2pwe s ALA 535 Ca 0.01 2.19 -0.11 0.00 0.00 0.00 0.00 51.96 54.06 2pwe s ALA 535 Cb 0.08 -1.32 0.04 0.00 0.00 0.00 0.00 23.12 21.92 2pwe s ALA 535 CO 0.76 -0.35 1.09 0.00 0.00 0.00 0.00 175.76 177.25 2pwe s ALA 536 N 0.92 2.36 0.85 0.00 0.00 -1.26 -5.01 121.76 119.63 2pwe s ALA 536 Ca -0.04 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 2pwe s ALA 536 Cb -0.05 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.91 2pwe s ALA 536 CO -0.09 -1.61 1.09 -1.25 0.00 0.00 0.00 175.76 173.91 2pwe s PRO 537 N -4.86 1.65 0.26 0.00 0.04 -1.26 -5.01 135.00 125.82 2pwe s PRO 537 Ca 0.61 0.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.33 2pwe s PRO 537 Cb -0.17 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2pwe s PRO 537 CO 0.54 -1.98 0.75 0.00 0.04 0.00 0.00 177.00 176.35 2pwe s ALA 538 N -2.97 3.37 0.07 8.56 0.00 -1.26 -4.92 121.76 124.61 2pwe s ALA 538 Ca 0.62 0.16 -0.35 0.00 0.00 0.00 0.00 51.96 52.39 2pwe s ALA 538 Cb -0.17 -2.84 -0.14 0.00 0.00 0.00 0.00 23.12 19.97 2pwe s ALA 538 CO 0.56 0.31 1.57 0.00 0.00 0.00 0.00 175.76 178.21 2pwe n ALA 539 N 0.40 0.55 0.00 0.00 0.00 -1.26 -0.67 120.51 119.53 2pwe n ALA 539 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.87 2pwe n ALA 539 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2pwe n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwe n GLY 540 N 3.39 2.49 3.45 0.00 0.00 -0.66 -5.01 105.19 108.84 2pwe n GLY 540 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.76 2pwe n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwe n ALA 541 N -1.58 -1.92 0.39 4.61 0.00 0.16 -4.40 120.51 117.78 2pwe n ALA 541 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.82 2pwe n ALA 541 Cb 0.00 -1.73 0.06 0.00 0.00 0.00 0.00 19.45 17.78 2pwe n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwe n ALA 542 N -0.28 2.45 -3.57 0.00 0.00 -1.26 -1.66 120.51 116.19 2pwe n ALA 542 Ca 0.14 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.85 2pwe n ALA 542 Cb 0.32 -0.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 2pwe n ALA 542 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pwe s SER 543 N -0.93 -0.22 0.01 0.00 1.04 -1.26 -1.77 113.70 110.57 2pwe s SER 543 Ca 0.14 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.92 2pwe s SER 543 Cb 0.10 0.66 -0.01 0.00 0.10 0.00 0.00 66.02 66.87 2pwe s SER 543 CO 0.14 -1.23 -0.07 -0.76 0.98 0.00 0.00 173.24 172.30 2pwe s LEU 544 N -2.94 2.09 -0.20 2.42 1.43 0.59 -4.95 118.68 117.12 2pwe s LEU 544 Ca 0.14 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 2pwe s LEU 544 Cb -0.04 -0.27 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 2pwe s LEU 544 CO 0.06 -0.01 0.05 -1.61 0.23 0.00 0.00 176.35 175.06 2pwe s GLU 545 N -0.62 3.80 -0.07 1.70 0.41 -1.26 -0.64 118.70 122.03 2pwe s GLU 545 Ca -0.01 -0.42 0.03 0.00 -0.41 0.00 0.00 54.97 54.15 2pwe s GLU 545 Cb -0.05 -3.20 -0.02 0.00 -1.78 0.00 0.00 34.13 29.08 2pwe s GLU 545 CO 0.00 0.10 -0.14 -0.51 -0.49 0.00 0.00 175.26 174.23 2pwe s LEU 546 N 0.81 2.76 0.71 1.80 1.43 0.12 -5.00 118.68 121.30 2pwe s LEU 546 Ca 0.03 -0.21 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2pwe s LEU 546 Cb -0.14 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.55 2pwe s LEU 546 CO 0.02 0.31 1.06 -1.10 0.23 0.00 0.00 176.35 176.88 2pwe s GLN 547 N -0.52 2.47 0.20 1.70 -1.52 -1.26 -1.79 119.66 118.94 2pwe s GLN 547 Ca 0.07 0.11 -0.32 0.00 -1.95 0.00 0.00 55.36 53.27 2pwe s GLN 547 Cb -0.12 -2.08 -0.14 0.00 -0.22 0.00 0.00 33.01 30.45 2pwe s GLN 547 CO 0.02 -1.17 1.50 -2.30 -0.25 0.00 0.00 175.29 173.08 2pwe n PRO 548 N -2.99 2.12 -1.44 2.91 -0.02 -1.26 -1.46 135.00 132.85 2pwe n PRO 548 Ca 0.07 0.76 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2pwe n PRO 548 Cb 0.59 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 2pwe n PRO 548 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pwe n TRP 549 N 2.63 -0.12 -2.13 6.00 7.02 -0.52 -4.90 117.44 125.42 2pwe n TRP 549 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2pwe n TRP 549 Cb 0.30 -2.99 0.01 0.00 -2.42 0.00 0.00 31.31 26.22 2pwe n TRP 549 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2pwe s GLN 550 N -3.30 3.33 0.03 -0.99 0.74 -0.54 -4.58 119.66 114.35 2pwe s GLN 550 Ca 0.00 1.79 -0.04 0.00 0.05 0.00 0.00 55.36 57.17 2pwe s GLN 550 Cb 0.00 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.97 2pwe s GLN 550 CO 0.00 -0.91 0.05 -1.54 -0.55 0.00 0.00 175.29 172.34 2pwe s SER 551 N -1.51 0.22 0.02 6.67 1.04 -1.03 -0.18 113.70 118.94 2pwe s SER 551 Ca 0.71 -0.56 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 2pwe s SER 551 Cb -0.29 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.12 2pwe s SER 551 CO 0.33 -0.46 0.90 -0.83 0.98 0.00 0.00 173.24 174.16 2pwe s GLY 552 N -2.00 -0.44 -0.07 7.32 0.00 0.13 -1.00 107.32 111.26 2pwe s GLY 552 Ca -0.07 0.89 0.02 0.00 0.00 0.00 0.00 44.72 45.56 2pwe s GLY 552 CO -0.04 0.29 -0.12 -0.42 0.00 0.00 0.00 173.10 172.81 2pwe s ILE 553 N -3.14 1.16 0.04 0.90 1.01 -0.64 -1.56 121.20 118.96 2pwe s ILE 553 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.25 2pwe s ILE 553 Cb -0.01 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2pwe s ILE 553 CO -0.08 0.36 -0.08 -0.31 0.00 0.00 0.00 174.94 174.83 2pwe s TYR 554 N 0.74 0.72 -0.15 3.97 1.51 0.36 -0.98 117.35 123.53 2pwe s TYR 554 Ca -0.13 -0.48 -0.19 0.00 -1.01 0.00 0.00 57.07 55.25 2pwe s TYR 554 Cb -0.16 -0.43 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 2pwe s TYR 554 CO 0.03 -0.07 0.54 0.21 -1.11 0.00 0.00 175.55 175.15 2pwe s LYS 555 N -1.55 4.29 0.49 -0.62 2.20 -0.46 0.52 119.74 124.61 2pwe s LYS 555 Ca -0.09 0.52 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 2pwe s LYS 555 Cb -0.10 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 2pwe s LYS 555 CO 0.01 0.01 0.55 0.14 -0.36 0.00 0.00 175.35 175.69 2pwe s VAL 556 N 1.10 2.37 0.00 4.02 -7.23 -0.90 0.77 120.40 120.54 2pwe s VAL 556 Ca 0.27 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 59.25 2pwe s VAL 556 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2pwe s VAL 556 CO 0.11 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.19