#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwg s GLY 3 N 0.00 -0.33 0.35 -1.23 0.00 -1.26 -5.18 107.32 99.68 2pwg s GLY 3 Ca 0.00 2.29 -0.17 0.00 0.00 0.00 0.00 44.72 46.85 2pwg s GLY 3 CO 0.00 1.67 0.80 0.00 0.00 0.00 0.00 173.10 175.56 2pwg s ALA 4 N 0.05 3.24 0.63 3.20 0.00 -1.26 -5.03 121.76 122.59 2pwg s ALA 4 Ca 0.01 0.15 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 2pwg s ALA 4 Cb -0.04 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2pwg s ALA 4 CO -0.02 0.27 0.94 -2.30 0.00 0.00 0.00 175.76 174.65 2pwg n PRO 5 N -0.43 0.79 -0.22 0.00 -0.02 -1.26 -4.89 135.00 128.97 2pwg n PRO 5 Ca 0.04 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.89 2pwg n PRO 5 Cb 0.53 -2.15 0.31 0.00 -0.02 0.00 0.00 33.50 32.17 2pwg n PRO 5 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pwg h TRP 6 N 0.31 0.86 0.00 6.00 5.08 -2.00 -1.78 115.95 124.42 2pwg h TRP 6 Ca -0.48 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.49 2pwg h TRP 6 Cb 1.36 -0.28 -0.00 0.00 -3.00 0.00 0.00 29.16 27.24 2pwg h TRP 6 CO 0.37 0.46 -0.09 0.11 -1.28 0.00 0.00 178.44 178.01 2pwg h TRP 7 N 0.85 0.00 0.00 0.12 5.08 -1.96 -2.17 115.95 117.87 2pwg h TRP 7 Ca 0.33 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 60.27 2pwg h TRP 7 Cb 0.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.36 2pwg h TRP 7 CO -0.00 0.09 -0.12 0.87 -1.28 0.00 0.00 178.44 178.00 2pwg h LYS 8 N 0.00 0.00 -0.14 0.12 1.57 -1.67 -3.07 116.57 113.39 2pwg h LYS 8 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pwg h LYS 8 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2pwg h LYS 8 CO 0.01 0.12 0.00 -1.13 -0.57 0.00 0.00 179.45 177.88 2pwg n SER 9 N -3.29 2.46 -4.88 0.86 3.41 -0.87 -4.58 113.62 106.73 2pwg n SER 9 Ca 0.00 -2.13 -0.30 0.00 -0.26 0.00 0.00 58.87 56.18 2pwg n SER 9 Cb 0.36 -0.14 -0.01 0.00 -0.26 0.00 0.00 64.21 64.16 2pwg n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwg s ALA 10 N -1.23 3.27 -0.20 7.33 0.00 -0.89 -4.93 121.76 125.12 2pwg s ALA 10 Ca 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 2pwg s ALA 10 Cb 0.08 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2pwg s ALA 10 CO 0.06 -0.32 -0.13 0.08 0.00 0.00 0.00 175.76 175.45 2pwg s VAL 11 N -2.73 2.67 0.24 0.00 1.01 -1.26 -4.19 120.40 116.13 2pwg s VAL 11 Ca 0.52 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2pwg s VAL 11 Cb -0.10 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 2pwg s VAL 11 CO 0.42 0.49 0.35 -0.36 0.00 0.00 0.00 175.10 176.00 2pwg s PHE 12 N 1.38 3.42 -0.04 5.22 0.40 0.36 -1.75 117.98 126.96 2pwg s PHE 12 Ca 0.05 -0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2pwg s PHE 12 Cb -0.14 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.85 2pwg s PHE 12 CO -0.08 0.43 -0.04 -0.47 0.70 0.00 0.00 175.22 175.76 2pwg s TYR 13 N -1.99 0.69 -0.21 0.36 6.14 -0.48 -1.26 117.35 120.60 2pwg s TYR 13 Ca 0.34 -0.18 -0.14 0.00 0.64 0.00 0.00 57.07 57.73 2pwg s TYR 13 Cb -0.09 -0.64 -0.04 0.00 0.42 0.00 0.00 41.96 41.60 2pwg s TYR 13 CO 0.29 -0.19 0.34 -1.14 0.64 0.00 0.00 175.55 175.48 2pwg s GLN 14 N 1.01 4.15 -0.22 4.97 0.74 0.48 -1.57 119.66 129.22 2pwg s GLN 14 Ca -0.10 0.08 -0.04 0.00 0.05 0.00 0.00 55.36 55.36 2pwg s GLN 14 Cb -0.14 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 30.43 2pwg s GLN 14 CO -0.01 -0.00 -0.05 0.08 -0.55 0.00 0.00 175.29 174.77 2pwg s VAL 15 N 1.21 3.36 -0.82 1.34 1.01 -0.05 -1.85 120.40 124.59 2pwg s VAL 15 Ca 0.16 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.49 2pwg s VAL 15 Cb -0.14 -2.53 0.19 0.00 0.00 0.00 0.00 36.38 33.91 2pwg s VAL 15 CO 0.07 0.43 0.82 -0.47 0.00 0.00 0.00 175.10 175.95 2pwg s TYR 16 N 1.43 3.59 0.29 5.22 5.04 -1.26 -2.00 117.35 129.66 2pwg s TYR 16 Ca 0.05 -1.81 0.02 0.00 -2.44 0.00 0.00 57.07 52.89 2pwg s TYR 16 Cb -0.14 -3.91 0.71 0.00 0.35 0.00 0.00 41.96 38.96 2pwg s TYR 16 CO -0.03 -1.10 1.65 -1.35 -1.34 0.00 0.00 175.55 173.38 2pwg h PRO 17 N 8.08 0.20 -0.84 4.97 0.11 -1.93 -0.22 132.00 142.36 2pwg h PRO 17 Ca 0.08 -0.01 0.24 0.00 0.11 0.00 0.00 66.00 66.42 2pwg h PRO 17 Cb 1.04 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2pwg h PRO 17 CO 0.84 0.13 0.61 -0.09 -0.21 0.00 0.00 178.00 179.28 2pwg h ARG 18 N 0.21 0.00 0.00 1.05 2.43 -1.92 -2.31 114.38 113.84 2pwg h ARG 18 Ca 0.55 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.71 2pwg h ARG 18 Cb 1.11 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2pwg h ARG 18 CO -0.65 0.00 -0.18 0.43 -1.51 0.00 0.00 179.97 178.05 2pwg n SER 19 N -4.29 1.92 -0.07 -3.80 7.64 -0.12 -0.22 113.62 114.68 2pwg n SER 19 Ca 0.17 -3.09 -0.06 0.00 1.01 0.00 0.00 58.87 56.90 2pwg n SER 19 Cb 0.91 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.67 2pwg n SER 19 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2pwg n PHE 20 N -1.16 0.40 -3.61 1.43 7.35 -0.87 -1.38 117.46 119.62 2pwg n PHE 20 Ca 0.14 0.17 -0.06 0.00 -0.76 0.00 0.00 57.45 56.94 2pwg n PHE 20 Cb 0.67 -0.56 -0.08 0.00 0.35 0.00 0.00 39.48 39.86 2pwg n PHE 20 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2pwg s LYS 21 N -2.35 0.39 -0.09 -4.13 2.47 -1.26 -4.42 119.74 110.35 2pwg s LYS 21 Ca -0.19 1.09 -0.17 0.00 -1.56 0.00 0.00 55.97 55.14 2pwg s LYS 21 Cb 0.03 0.40 -0.05 0.00 -1.46 0.00 0.00 37.83 36.75 2pwg s LYS 21 CO 0.28 -0.29 0.46 0.34 0.16 0.00 0.00 175.35 176.30 2pwg s ASP 22 N 2.68 6.70 0.00 1.43 2.15 -0.54 -0.91 116.67 128.19 2pwg s ASP 22 Ca -0.00 0.84 0.03 0.00 0.43 0.00 0.00 52.55 53.84 2pwg s ASP 22 Cb -0.12 -2.28 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2pwg s ASP 22 CO -0.15 0.07 0.50 0.35 -0.17 0.00 0.00 175.17 175.77 2pwg n THR 23 N 3.30 0.00 -1.11 1.71 -2.24 -1.26 -4.57 114.28 110.11 2pwg n THR 23 Ca -0.09 -0.49 0.03 0.00 -2.27 0.00 0.00 64.05 61.23 2pwg n THR 23 Cb 0.52 1.05 0.04 0.00 -2.10 0.00 0.00 70.33 69.84 2pwg n THR 23 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2pwg n ASN 24 N -0.06 1.10 0.00 3.42 6.94 -1.26 -5.04 115.26 120.37 2pwg n ASN 24 Ca 0.01 -2.12 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 2pwg n ASN 24 Cb 0.07 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2pwg n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2pwg n GLY 25 N -0.53 0.27 0.02 4.83 0.00 -1.26 -4.86 105.19 103.66 2pwg n GLY 25 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2pwg n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pwg n ASP 26 N -0.43 0.07 0.00 1.61 5.75 -1.26 -4.00 116.55 118.29 2pwg n ASP 26 Ca 0.00 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.22 2pwg n ASP 26 Cb 0.21 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2pwg n ASP 26 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pwg n GLY 27 N 1.17 0.90 3.45 6.12 0.00 -1.25 -4.80 105.19 110.77 2pwg n GLY 27 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2pwg n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwg s ILE 28 N -2.61 3.01 0.80 -0.61 1.01 -1.26 -1.78 121.20 119.76 2pwg s ILE 28 Ca 0.00 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.80 2pwg s ILE 28 Cb 0.00 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.36 2pwg s ILE 28 CO 0.00 0.58 1.16 -0.83 0.00 0.00 0.00 174.94 175.85 2pwg s GLY 29 N -0.52 1.97 0.31 6.18 0.00 0.69 -4.29 107.32 111.65 2pwg s GLY 29 Ca 0.07 0.64 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2pwg s GLY 29 CO 0.01 1.03 0.44 0.51 0.00 0.00 0.00 173.10 175.10 2pwg s ASP 30 N -2.56 0.58 0.18 1.64 1.47 -0.08 -4.36 116.67 113.54 2pwg s ASP 30 Ca 0.69 -1.34 -0.13 0.00 1.18 0.00 0.00 52.55 52.95 2pwg s ASP 30 Cb -0.24 0.62 0.10 0.00 -0.34 0.00 0.00 42.92 43.06 2pwg s ASP 30 CO 0.52 -1.22 1.82 -0.26 0.68 0.00 0.00 175.17 176.71 2pwg h PHE 31 N 2.20 0.61 -0.64 2.11 0.04 -1.30 -2.01 116.94 117.95 2pwg h PHE 31 Ca -0.29 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.52 2pwg h PHE 31 Cb 1.24 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 2pwg h PHE 31 CO 1.10 0.35 0.42 0.87 -0.60 0.00 0.00 178.31 180.46 2pwg h LYS 32 N 0.65 0.82 -0.46 1.51 1.57 -1.90 0.21 116.57 118.97 2pwg h LYS 32 Ca 0.21 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 2pwg h LYS 32 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2pwg h LYS 32 CO -0.09 0.54 0.20 0.78 -0.57 0.00 0.00 179.45 180.32 2pwg h GLY 33 N 0.84 0.71 0.77 3.86 0.00 -1.51 -0.64 103.07 107.11 2pwg h GLY 33 Ca 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 2pwg h GLY 33 CO -0.06 0.35 -0.01 -2.00 0.00 0.00 0.00 176.54 174.82 2pwg h LEU 34 N 0.59 0.25 -0.73 3.11 5.85 -0.76 -2.87 115.31 120.75 2pwg h LEU 34 Ca 0.15 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.65 2pwg h LEU 34 Cb 0.15 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2pwg h LEU 34 CO -0.02 0.52 0.34 0.74 -0.34 0.00 0.00 178.44 179.68 2pwg h THR 35 N -0.03 0.79 -0.35 1.05 2.02 -0.49 0.20 112.91 116.10 2pwg h THR 35 Ca 0.04 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.13 2pwg h THR 35 Cb 0.40 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2pwg h THR 35 CO 0.01 0.10 0.26 -0.33 0.37 0.00 0.00 175.52 175.93 2pwg h GLU 36 N 0.55 0.00 -0.68 6.66 5.08 -0.99 -2.53 114.58 122.66 2pwg h GLU 36 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2pwg h GLU 36 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pwg h GLU 36 CO -0.31 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.33 2pwg n LYS 37 N -4.38 3.05 -0.19 2.33 4.76 0.04 -4.55 118.16 119.21 2pwg n LYS 37 Ca 0.05 -2.70 -0.00 0.00 -2.87 0.00 0.00 58.31 52.79 2pwg n LYS 37 Cb 0.43 -1.65 0.24 0.00 -1.84 0.00 0.00 35.03 32.21 2pwg n LYS 37 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2pwg h LEU 38 N 4.06 0.83 -1.34 -0.35 3.38 -1.22 -1.37 115.31 119.30 2pwg h LEU 38 Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2pwg h LEU 38 Cb 1.12 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2pwg h LEU 38 CO 0.07 0.65 0.10 0.44 0.09 0.00 0.00 178.44 179.79 2pwg h ASP 39 N 0.95 0.50 0.19 -0.43 3.32 -1.83 0.19 116.42 119.31 2pwg h ASP 39 Ca 0.25 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2pwg h ASP 39 Cb -0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2pwg h ASP 39 CO -0.04 0.50 -0.09 0.22 -1.72 0.00 0.00 179.24 178.11 2pwg h TYR 40 N 0.54 -0.23 -0.61 4.55 3.20 -1.58 0.18 116.97 123.02 2pwg h TYR 40 Ca 0.13 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.93 2pwg h TYR 40 Cb 0.19 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 2pwg h TYR 40 CO 0.01 -0.03 0.15 -0.07 -1.64 0.00 0.00 178.16 176.58 2pwg h LEU 41 N -0.40 0.88 -0.72 2.82 3.38 -0.92 -1.34 115.31 119.01 2pwg h LEU 41 Ca -0.03 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2pwg h LEU 41 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2pwg h LEU 41 CO 0.04 0.86 -0.09 0.50 0.09 0.00 0.00 178.44 179.85 2pwg h LYS 42 N 0.90 0.89 -0.34 1.13 1.63 -0.56 -1.85 116.57 118.38 2pwg h LYS 42 Ca 0.19 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.64 2pwg h LYS 42 Cb 0.32 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.86 2pwg h LYS 42 CO -0.00 0.94 -0.03 0.78 -3.45 0.00 0.00 179.45 177.69 2pwg h GLY 43 N 0.97 0.58 1.86 5.01 0.00 -0.02 -1.59 103.07 109.88 2pwg h GLY 43 Ca 0.14 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2pwg h GLY 43 CO 0.04 0.33 -0.36 -2.00 0.00 0.00 0.00 176.54 174.55 2pwg h LEU 44 N 0.51 0.16 0.00 3.11 5.85 -0.84 -3.47 115.31 120.63 2pwg h LEU 44 Ca 0.11 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2pwg h LEU 44 Cb 0.37 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2pwg h LEU 44 CO 0.01 0.52 0.00 0.61 -0.34 0.00 0.00 178.44 179.24 2pwg n GLY 45 N -0.37 1.42 3.71 3.75 0.00 -0.60 -4.58 105.19 108.52 2pwg n GLY 45 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2pwg n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwg s ILE 46 N -2.00 2.99 -0.03 -0.61 -1.09 -0.75 -4.86 121.20 114.84 2pwg s ILE 46 Ca 0.00 0.66 0.09 0.00 -2.23 0.00 0.00 60.65 59.17 2pwg s ILE 46 Cb 0.00 -3.42 -0.23 0.00 -1.58 0.00 0.00 42.46 37.22 2pwg s ILE 46 CO 0.00 0.04 0.70 0.44 -1.23 0.00 0.00 174.94 174.88 2pwg h ASP 47 N 7.11 0.07 -5.06 3.58 3.32 -1.68 -3.43 116.42 120.33 2pwg h ASP 47 Ca -0.42 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.42 2pwg h ASP 47 Cb 1.20 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 2pwg h ASP 47 CO 0.90 1.13 -0.10 0.00 -1.72 0.00 0.00 179.24 179.44 2pwg s ALA 48 N -2.60 -0.93 -0.03 3.45 0.00 -1.14 -2.16 121.76 118.35 2pwg s ALA 48 Ca -0.06 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2pwg s ALA 48 Cb 0.08 0.52 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 2pwg s ALA 48 CO 0.82 -0.55 -0.18 0.42 0.00 0.00 0.00 175.76 176.27 2pwg s ILE 49 N -3.19 1.45 -0.24 0.00 1.01 -0.38 -1.38 121.20 118.49 2pwg s ILE 49 Ca -0.01 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 2pwg s ILE 49 Cb 0.01 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2pwg s ILE 49 CO -0.07 0.42 0.02 0.86 0.00 0.00 0.00 174.94 176.16 2pwg s TRP 50 N -0.15 3.03 -0.06 3.97 -0.00 -0.61 0.17 118.94 125.29 2pwg s TRP 50 Ca 0.00 -0.63 -0.02 0.00 -0.00 0.00 0.00 56.10 55.45 2pwg s TRP 50 Cb -0.10 -2.18 -0.04 0.00 -0.00 0.00 0.00 33.47 31.16 2pwg s TRP 50 CO 0.01 -0.43 0.05 0.96 -0.00 0.00 0.00 176.95 177.54 2pwg s ILE 51 N 1.53 4.66 1.02 5.86 -4.36 -0.52 -0.87 121.20 128.52 2pwg s ILE 51 Ca 0.06 -0.23 -0.13 0.00 -0.26 0.00 0.00 60.65 60.09 2pwg s ILE 51 Cb -0.15 -3.04 0.20 0.00 1.25 0.00 0.00 42.46 40.72 2pwg s ILE 51 CO 0.01 0.51 1.09 0.20 0.24 0.00 0.00 174.94 176.99 2pwg s ASN 52 N -1.22 2.48 -0.07 4.36 -0.87 -0.85 -3.04 114.94 115.72 2pwg s ASN 52 Ca 0.17 1.16 -0.37 0.00 -1.57 0.00 0.00 52.86 52.24 2pwg s ASN 52 Cb -0.12 -1.82 -0.18 0.00 -0.02 0.00 0.00 41.25 39.11 2pwg s ASN 52 CO 0.07 -3.22 1.05 -2.65 -2.57 0.00 0.00 177.10 169.78 2pwg n PRO 53 N -4.23 0.00 -0.22 -0.60 -0.02 -1.26 -4.67 135.00 124.00 2pwg n PRO 53 Ca 0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 2pwg n PRO 53 Cb 0.57 -1.36 0.11 0.00 -0.02 0.00 0.00 33.50 32.81 2pwg n PRO 53 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2pwg n HIS 54 N 1.73 0.00 -3.21 6.00 1.44 -1.26 -4.78 115.22 115.14 2pwg n HIS 54 Ca 0.20 -0.80 -0.20 0.00 -2.01 0.00 0.00 57.72 54.90 2pwg n HIS 54 Cb 0.05 -0.13 0.01 0.00 0.12 0.00 0.00 29.99 30.03 2pwg n HIS 54 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2pwg s TYR 55 N -2.22 3.12 0.17 -1.40 1.51 -1.26 -0.53 117.35 116.74 2pwg s TYR 55 Ca 0.25 -0.05 -0.33 0.00 -1.01 0.00 0.00 57.07 55.93 2pwg s TYR 55 Cb 0.23 -2.18 -0.15 0.00 -0.11 0.00 0.00 41.96 39.74 2pwg s TYR 55 CO 0.01 -0.22 1.23 0.00 -1.11 0.00 0.00 175.55 175.47 2pwg n ALA 56 N -1.86 -0.45 -3.63 3.71 0.00 0.50 -3.51 120.51 115.28 2pwg n ALA 56 Ca 0.01 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.80 2pwg n ALA 56 Cb 0.58 -2.08 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 2pwg n ALA 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2pwg s SER 57 N 0.12 -0.57 0.22 0.00 0.15 -1.26 -0.82 113.70 111.54 2pwg s SER 57 Ca 0.74 1.09 0.23 0.00 0.70 0.00 0.00 55.95 58.71 2pwg s SER 57 Cb -0.83 1.10 0.92 0.00 -1.71 0.00 0.00 66.02 65.50 2pwg s SER 57 CO 0.51 -0.20 1.71 -2.65 1.20 0.00 0.00 173.24 173.80 2pwg n PRO 58 N 2.35 0.19 -2.33 5.44 -0.02 -1.24 -4.91 135.00 134.47 2pwg n PRO 58 Ca -0.13 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.58 2pwg n PRO 58 Cb 0.56 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2pwg n PRO 58 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pwg n ASN 59 N -2.16 -3.88 0.25 2.55 3.02 -1.26 -4.89 115.26 108.89 2pwg n ASN 59 Ca 0.03 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 2pwg n ASN 59 Cb 0.27 -3.02 0.61 0.00 -0.61 0.00 0.00 39.78 37.02 2pwg n ASN 59 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 2pwg h THR 60 N -0.18 0.44 -0.49 3.41 1.35 -1.91 -3.10 112.91 112.42 2pwg h THR 60 Ca -0.29 -0.80 -0.33 0.00 -0.55 0.00 0.00 66.41 64.44 2pwg h THR 60 Cb 1.21 1.57 -0.39 0.00 -1.73 0.00 0.00 68.15 68.80 2pwg h THR 60 CO 0.33 0.14 -0.99 -0.67 -0.25 0.00 0.00 175.52 174.09 2pwg n ASP 61 N -3.39 2.67 -4.05 5.36 2.03 -1.26 -4.65 116.55 113.25 2pwg n ASP 61 Ca -0.00 -2.68 -0.43 0.00 0.52 0.00 0.00 54.79 52.19 2pwg n ASP 61 Cb 0.34 -0.42 0.02 0.00 -0.72 0.00 0.00 41.12 40.33 2pwg n ASP 61 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2pwg n ASN 62 N -0.58 -3.82 0.00 1.67 3.02 -1.17 -1.91 115.26 112.45 2pwg n ASN 62 Ca 0.20 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2pwg n ASN 62 Cb 0.88 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 2pwg n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwg n GLY 63 N -2.00 2.70 0.00 7.41 0.00 -1.26 -4.82 105.19 107.22 2pwg n GLY 63 Ca -0.11 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.85 2pwg n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pwg n TYR 64 N 0.00 0.00 -3.88 1.61 4.01 -0.81 -4.01 117.16 114.08 2pwg n TYR 64 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 2pwg n TYR 64 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 2pwg n TYR 64 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 2pwg s ASP 65 N -1.67 4.28 -0.13 7.72 -4.77 -1.26 -4.84 116.67 115.99 2pwg s ASP 65 Ca 0.22 -3.21 -0.23 0.00 -3.30 0.00 0.00 52.55 46.02 2pwg s ASP 65 Cb 0.10 -1.51 -0.03 0.00 -1.09 0.00 0.00 42.92 40.39 2pwg s ASP 65 CO 0.17 -0.19 0.71 -0.63 0.70 0.00 0.00 175.17 175.92 2pwg s ILE 66 N -0.54 5.00 -0.28 2.11 1.01 -1.26 -3.60 121.20 123.64 2pwg s ILE 66 Ca 0.20 1.41 0.22 0.00 0.00 0.00 0.00 60.65 62.48 2pwg s ILE 66 Cb -0.18 -4.03 -0.20 0.00 0.01 0.00 0.00 42.46 38.05 2pwg s ILE 66 CO -0.05 0.15 0.77 -1.54 0.00 0.00 0.00 174.94 174.27 2pwg n SER 67 N 4.54 0.42 -3.53 3.58 3.41 -0.00 -0.91 113.62 121.12 2pwg n SER 67 Ca 0.00 -0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.52 2pwg n SER 67 Cb 0.50 1.28 -0.07 0.00 -0.26 0.00 0.00 64.21 65.66 2pwg n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pwg s ASP 68 N -4.48 -0.52 0.01 4.04 -1.08 -1.23 -4.23 116.67 109.17 2pwg s ASP 68 Ca -0.02 0.97 0.24 0.00 -0.52 0.00 0.00 52.55 53.22 2pwg s ASP 68 Cb 0.13 1.64 1.03 0.00 -1.46 0.00 0.00 42.92 44.26 2pwg s ASP 68 CO 0.85 -0.25 1.78 -1.22 0.52 0.00 0.00 175.17 176.85 2pwg n TYR 69 N 5.41 0.02 -0.25 -5.34 4.01 -1.26 -3.16 117.16 116.58 2pwg n TYR 69 Ca -0.07 0.01 0.05 0.00 -0.16 0.00 0.00 57.90 57.72 2pwg n TYR 69 Cb 0.50 -0.51 0.14 0.00 -0.31 0.00 0.00 39.34 39.16 2pwg n TYR 69 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2pwg n ARG 70 N -1.52 2.87 -4.77 -0.72 1.74 -1.26 -4.96 116.66 108.04 2pwg n ARG 70 Ca 0.06 -2.06 -0.24 0.00 -0.77 0.00 0.00 57.85 54.83 2pwg n ARG 70 Cb 0.29 -1.29 -0.15 0.00 -1.02 0.00 0.00 32.46 30.28 2pwg n ARG 70 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2pwg s GLU 71 N -1.23 1.34 0.71 5.56 0.41 -1.23 -5.07 118.70 119.18 2pwg s GLU 71 Ca 0.22 -0.62 -0.12 0.00 -0.41 0.00 0.00 54.97 54.04 2pwg s GLU 71 Cb 0.13 -1.30 0.02 0.00 -1.78 0.00 0.00 34.13 31.20 2pwg s GLU 71 CO 0.12 0.36 1.08 0.14 -0.49 0.00 0.00 175.26 176.47 2pwg s VAL 72 N -0.43 3.54 0.06 2.63 -7.23 -1.26 -0.37 120.40 117.35 2pwg s VAL 72 Ca 0.06 0.56 -0.31 0.00 -1.81 0.00 0.00 61.98 60.49 2pwg s VAL 72 Cb -0.07 -3.12 -0.07 0.00 0.56 0.00 0.00 36.38 33.68 2pwg s VAL 72 CO -0.00 -0.60 1.50 -0.32 -0.31 0.00 0.00 175.10 175.37 2pwg s MET 73 N -4.71 4.26 0.30 4.82 1.75 0.31 -3.54 119.30 122.49 2pwg s MET 73 Ca 0.62 2.15 0.06 0.00 -1.25 0.00 0.00 55.69 57.26 2pwg s MET 73 Cb -0.17 -3.47 0.77 0.00 2.84 0.00 0.00 34.83 34.81 2pwg s MET 73 CO 0.51 -0.60 1.71 -0.22 -0.65 0.00 0.00 175.02 175.78 2pwg h LYS 74 N 7.66 0.47 0.00 4.11 3.64 -1.87 0.20 116.57 130.79 2pwg h LYS 74 Ca -0.41 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 2pwg h LYS 74 Cb 1.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 2pwg h LYS 74 CO 0.90 0.31 -0.23 0.93 -2.27 0.00 0.00 179.45 179.10 2pwg h GLU 75 N 0.49 0.00 0.00 1.90 3.07 -1.95 -2.95 114.58 115.13 2pwg h GLU 75 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2pwg h GLU 75 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2pwg h GLU 75 CO -0.49 0.23 -0.48 1.88 -1.40 0.00 0.00 179.01 178.74 2pwg h TYR 76 N 0.00 0.00 0.00 4.33 0.05 -0.85 -3.43 116.97 117.07 2pwg h TYR 76 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2pwg h TYR 76 Cb 0.45 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.19 2pwg h TYR 76 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 2pwg n GLY 77 N 1.18 0.49 3.65 3.88 0.00 -1.07 -0.84 105.19 112.47 2pwg n GLY 77 Ca 0.02 -1.46 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 2pwg n GLY 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pwg s THR 78 N -3.44 2.07 0.42 2.61 -4.23 -1.26 -4.49 115.64 107.31 2pwg s THR 78 Ca 0.00 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 2pwg s THR 78 Cb 0.00 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2pwg s THR 78 CO 0.00 0.00 2.05 -0.03 -0.54 0.00 0.00 174.62 176.10 2pwg h MET 79 N 1.67 0.46 -0.66 3.99 4.05 -1.97 -0.43 114.93 122.04 2pwg h MET 79 Ca -0.44 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 58.92 2pwg h MET 79 Cb 1.24 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.91 2pwg h MET 79 CO 0.78 0.33 0.30 1.49 0.23 0.00 0.00 176.91 180.04 2pwg h GLU 80 N 0.47 0.95 -0.63 0.39 4.81 -1.99 0.14 114.58 118.72 2pwg h GLU 80 Ca 0.13 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 2pwg h GLU 80 Cb -0.02 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 2pwg h GLU 80 CO -0.02 0.77 0.09 -0.44 -0.73 0.00 0.00 179.01 178.67 2pwg h ASP 81 N 0.91 1.02 -0.33 1.04 3.32 -1.53 -1.41 116.42 119.45 2pwg h ASP 81 Ca 0.22 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2pwg h ASP 81 Cb 0.14 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2pwg h ASP 81 CO -0.03 1.04 0.21 0.15 -1.72 0.00 0.00 179.24 178.89 2pwg h PHE 82 N 0.98 0.42 -0.73 4.55 3.57 -0.38 0.07 116.94 125.42 2pwg h PHE 82 Ca 0.19 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 2pwg h PHE 82 Cb 0.46 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 2pwg h PHE 82 CO 0.03 0.28 0.44 -0.44 -2.23 0.00 0.00 178.31 176.40 2pwg h ASP 83 N 0.44 0.71 -0.56 0.41 3.32 -0.57 -0.80 116.42 119.36 2pwg h ASP 83 Ca 0.12 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2pwg h ASP 83 Cb -0.03 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2pwg h ASP 83 CO -0.02 0.48 0.23 -0.09 -1.72 0.00 0.00 179.24 178.11 2pwg h ARG 84 N 0.85 0.84 -0.31 3.56 2.43 -0.82 0.53 114.38 121.45 2pwg h ARG 84 Ca 0.30 -0.15 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 2pwg h ARG 84 Cb 0.08 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 2pwg h ARG 84 CO -0.14 0.73 0.08 1.25 -1.51 0.00 0.00 179.97 180.38 2pwg h LEU 85 N 0.77 0.05 -0.22 3.80 5.85 -0.41 0.61 115.31 125.77 2pwg h LEU 85 Ca 0.19 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.00 2pwg h LEU 85 Cb 0.20 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2pwg h LEU 85 CO -0.02 0.06 -0.14 0.24 -0.34 0.00 0.00 178.44 178.25 2pwg h MET 86 N 0.20 -0.13 -0.48 1.25 2.86 -0.50 -1.29 114.93 116.85 2pwg h MET 86 Ca 0.14 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2pwg h MET 86 Cb 0.14 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 2pwg h MET 86 CO -0.17 -0.09 0.30 0.00 1.06 0.00 0.00 176.91 178.01 2pwg h ALA 87 N 1.01 0.61 -0.13 6.32 0.00 -0.39 -1.82 119.26 124.87 2pwg h ALA 87 Ca 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2pwg h ALA 87 Cb 0.32 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2pwg h ALA 87 CO -0.30 0.08 -0.13 0.93 0.00 0.00 0.00 179.25 179.83 2pwg h GLU 88 N 0.64 0.20 -0.28 0.00 4.39 -0.61 -0.60 114.58 118.31 2pwg h GLU 88 Ca 0.17 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 2pwg h GLU 88 Cb -0.03 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2pwg h GLU 88 CO -0.03 0.35 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.03 2pwg h LEU 89 N 0.19 0.55 -0.76 1.33 3.38 -0.84 -3.00 115.31 116.16 2pwg h LEU 89 Ca 0.04 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2pwg h LEU 89 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2pwg h LEU 89 CO 0.02 0.78 0.19 0.50 0.09 0.00 0.00 178.44 180.03 2pwg h LYS 90 N 0.30 1.13 -0.61 1.13 3.64 -0.87 0.36 116.57 121.65 2pwg h LYS 90 Ca 0.07 -0.26 0.11 0.00 -1.27 0.00 0.00 60.65 59.30 2pwg h LYS 90 Cb 0.54 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2pwg h LYS 90 CO 0.03 0.98 0.41 0.87 -2.27 0.00 0.00 179.45 179.47 2pwg h LYS 91 N 1.08 0.36 -0.62 1.90 1.57 -1.04 0.37 116.57 120.19 2pwg h LYS 91 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2pwg h LYS 91 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pwg h LYS 91 CO -0.00 0.24 0.00 0.54 -0.57 0.00 0.00 179.45 179.66 2pwg n ARG 92 N -4.47 2.87 -2.80 3.15 1.74 -0.78 -4.93 116.66 111.44 2pwg n ARG 92 Ca 0.10 -2.29 -0.22 0.00 -0.77 0.00 0.00 57.85 54.68 2pwg n ARG 92 Cb 0.41 -1.64 0.02 0.00 -1.02 0.00 0.00 32.46 30.23 2pwg n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pwg n GLY 93 N 1.22 -0.52 3.81 -0.13 0.00 0.13 -4.99 105.19 104.70 2pwg n GLY 93 Ca 0.21 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 2pwg n GLY 93 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwg s MET 94 N -5.47 2.90 0.14 1.61 -1.94 0.12 -4.98 119.30 111.68 2pwg s MET 94 Ca 0.20 -0.95 0.08 0.00 -1.71 0.00 0.00 55.69 53.30 2pwg s MET 94 Cb -0.09 -2.60 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 2pwg s MET 94 CO 0.24 0.45 -0.08 1.03 -0.01 0.00 0.00 175.02 176.65 2pwg s ARG 95 N -3.40 2.13 -0.08 2.03 0.52 -0.92 -4.03 118.95 115.20 2pwg s ARG 95 Ca 0.32 -1.13 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 2pwg s ARG 95 Cb -0.09 -2.25 -0.02 0.00 0.52 0.00 0.00 34.95 33.11 2pwg s ARG 95 CO 0.24 0.47 -0.17 -1.17 0.02 0.00 0.00 175.30 174.69 2pwg s LEU 96 N -2.55 2.55 -0.15 2.53 2.96 -1.26 -1.25 118.68 121.51 2pwg s LEU 96 Ca 0.24 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 2pwg s LEU 96 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.07 2pwg s LEU 96 CO 0.15 0.25 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.90 2pwg s MET 97 N -0.16 3.04 0.25 1.98 -2.45 0.13 -1.22 119.30 120.86 2pwg s MET 97 Ca -0.01 -0.83 0.06 0.00 -1.25 0.00 0.00 55.69 53.66 2pwg s MET 97 Cb -0.14 -2.50 -0.03 0.00 1.25 0.00 0.00 34.83 33.41 2pwg s MET 97 CO 0.03 -0.06 0.24 0.14 1.05 0.00 0.00 175.02 176.43 2pwg s VAL 98 N 0.93 4.67 0.01 10.11 -7.23 -0.44 -1.43 120.40 127.02 2pwg s VAL 98 Ca -0.04 -1.28 -0.19 0.00 -1.81 0.00 0.00 61.98 58.66 2pwg s VAL 98 Cb -0.15 -3.53 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2pwg s VAL 98 CO -0.04 -0.34 0.55 -0.62 -0.31 0.00 0.00 175.10 174.34 2pwg s ASP 99 N -3.86 6.96 -0.22 4.85 -1.08 -1.17 -1.21 116.67 120.94 2pwg s ASP 99 Ca 0.33 1.14 -0.01 0.00 -0.52 0.00 0.00 52.55 53.49 2pwg s ASP 99 Cb -0.08 -2.34 0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2pwg s ASP 99 CO 0.26 0.18 -0.11 -0.69 0.52 0.00 0.00 175.17 175.33 2pwg s VAL 100 N -0.54 2.60 -0.65 1.11 1.01 0.11 -4.71 120.40 119.34 2pwg s VAL 100 Ca 0.29 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 2pwg s VAL 100 Cb -0.18 -2.25 0.17 0.00 0.00 0.00 0.00 36.38 34.11 2pwg s VAL 100 CO 0.17 0.32 0.48 -0.69 0.00 0.00 0.00 175.10 175.37 2pwg s VAL 101 N 1.31 3.94 -0.13 2.92 1.01 -1.26 -1.54 120.40 126.65 2pwg s VAL 101 Ca 0.02 -2.88 0.15 0.00 0.00 0.00 0.00 61.98 59.26 2pwg s VAL 101 Cb -0.15 -3.55 0.33 0.00 0.00 0.00 0.00 36.38 33.00 2pwg s VAL 101 CO -0.07 -0.89 1.16 2.30 0.00 0.00 0.00 175.10 177.60 2pwg n ILE 102 N 3.57 1.49 0.02 2.22 -5.35 -1.26 -4.51 119.36 115.54 2pwg n ILE 102 Ca 0.08 -2.18 -0.06 0.00 -0.27 0.00 0.00 62.75 60.33 2pwg n ILE 102 Cb 0.39 0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.22 2pwg n ILE 102 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2pwg h ASN 103 N 0.55 0.00 -5.09 7.28 -1.24 -1.88 -3.44 115.58 111.77 2pwg h ASN 103 Ca -0.04 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 2pwg h ASN 103 Cb 1.19 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.13 2pwg h ASN 103 CO 0.02 0.87 -0.01 -1.38 -1.29 0.00 0.00 177.43 175.63 2pwg s HIS 104 N -2.72 -0.15 0.44 0.67 -3.43 -1.26 -0.54 115.29 108.30 2pwg s HIS 104 Ca -0.03 -0.18 0.03 0.00 -0.80 0.00 0.00 55.06 54.09 2pwg s HIS 104 Cb 0.08 0.34 -0.02 0.00 -1.43 0.00 0.00 32.58 31.55 2pwg s HIS 104 CO 0.82 -0.83 0.09 -1.54 -2.00 0.00 0.00 174.74 171.27 2pwg s SER 105 N -2.85 3.22 0.59 7.38 1.04 -0.80 -4.81 113.70 117.48 2pwg s SER 105 Ca 0.07 -1.66 -0.15 0.00 0.48 0.00 0.00 55.95 54.69 2pwg s SER 105 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2pwg s SER 105 CO -0.06 -0.89 1.04 -0.55 0.98 0.00 0.00 173.24 173.75 2pwg s SER 106 N -3.69 5.96 0.00 7.02 0.15 -0.09 -2.60 113.70 120.45 2pwg s SER 106 Ca 0.19 1.70 0.30 0.00 0.70 0.00 0.00 55.95 58.84 2pwg s SER 106 Cb 0.03 -2.52 1.73 0.00 -1.71 0.00 0.00 66.02 63.55 2pwg s SER 106 CO 0.11 -1.05 2.09 -0.90 1.20 0.00 0.00 173.24 174.70 2pwg n ASP 107 N -2.12 0.00 -1.04 5.45 5.75 -0.83 -2.40 116.55 121.35 2pwg n ASP 107 Ca 0.08 -0.84 0.12 0.00 -0.01 0.00 0.00 54.79 54.14 2pwg n ASP 107 Cb 0.53 -0.03 0.19 0.00 -1.03 0.00 0.00 41.12 40.78 2pwg n ASP 107 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwg n GLN 108 N -1.03 2.39 -2.57 0.11 1.13 -1.26 -4.44 117.38 111.72 2pwg n GLN 108 Ca 0.21 -2.07 -0.40 0.00 -1.94 0.00 0.00 57.00 52.80 2pwg n GLN 108 Cb 0.12 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.93 2pwg n GLN 108 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2pwg s HIS 109 N -1.70 3.71 0.38 1.08 2.46 -1.01 -4.86 115.29 115.35 2pwg s HIS 109 Ca 0.35 1.77 0.13 0.00 0.47 0.00 0.00 55.06 57.78 2pwg s HIS 109 Cb 0.22 -3.18 0.95 0.00 -0.13 0.00 0.00 32.58 30.44 2pwg s HIS 109 CO 0.31 -0.22 1.83 0.93 -2.47 0.00 0.00 174.74 175.12 2pwg h GLU 110 N 3.90 0.53 -0.47 2.88 4.39 -1.92 0.74 114.58 124.63 2pwg h GLU 110 Ca -0.46 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.23 2pwg h GLU 110 Cb 1.21 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.71 2pwg h GLU 110 CO 0.67 0.35 0.31 -1.49 -1.16 0.00 0.00 179.01 177.69 2pwg h TRP 111 N 0.55 0.51 0.22 4.33 6.55 -1.93 -1.15 115.95 125.03 2pwg h TRP 111 Ca 0.51 0.01 -0.29 0.00 0.95 0.00 0.00 58.89 60.07 2pwg h TRP 111 Cb 1.06 -0.17 0.03 0.00 -0.86 0.00 0.00 29.16 29.22 2pwg h TRP 111 CO -0.00 0.30 -1.27 0.35 -1.05 0.00 0.00 178.44 176.77 2pwg h PHE 112 N 0.53 0.85 -0.48 0.49 3.57 -1.18 -0.29 116.94 120.43 2pwg h PHE 112 Ca 0.19 -0.62 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2pwg h PHE 112 Cb 0.09 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2pwg h PHE 112 CO -0.00 1.48 0.22 0.87 -2.23 0.00 0.00 178.31 178.65 2pwg h LYS 113 N -0.02 0.42 0.34 1.11 1.57 -1.19 0.12 116.57 118.92 2pwg h LYS 113 Ca -0.22 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2pwg h LYS 113 Cb 2.00 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.22 2pwg h LYS 113 CO 0.24 0.28 -0.16 0.77 -0.57 0.00 0.00 179.45 180.00 2pwg h SER 114 N 0.43 -0.38 -1.00 0.86 0.02 -1.27 -2.85 113.55 109.36 2pwg h SER 114 Ca 0.22 -0.08 0.18 0.00 -0.84 0.00 0.00 61.79 61.26 2pwg h SER 114 Cb 0.16 0.10 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 2pwg h SER 114 CO -0.17 -0.15 0.62 -1.28 -1.14 0.00 0.00 176.83 174.71 2pwg h SER 115 N -0.61 0.81 1.70 3.07 0.87 -0.58 -2.40 113.55 116.40 2pwg h SER 115 Ca -0.05 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2pwg h SER 115 Cb 0.44 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2pwg h SER 115 CO 0.08 0.32 -0.18 0.08 -0.53 0.00 0.00 176.83 176.59 2pwg h ARG 116 N 0.81 0.00 -0.83 2.24 0.11 -0.73 -3.37 114.38 112.61 2pwg h ARG 116 Ca 0.56 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.74 2pwg h ARG 116 Cb 0.83 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.85 2pwg h ARG 116 CO -0.36 0.00 0.54 0.00 0.10 0.00 0.00 179.97 180.25 2pwg h ALA 117 N 2.12 1.74 -2.96 0.08 0.00 -1.18 -3.43 119.26 115.63 2pwg h ALA 117 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2pwg h ALA 117 Cb 0.94 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2pwg h ALA 117 CO 0.00 0.09 0.15 -1.54 0.00 0.00 0.00 179.25 177.94 2pwg s SER 118 N -5.99 -0.13 0.22 0.00 1.04 -1.26 -4.90 113.70 102.68 2pwg s SER 118 Ca -0.10 -0.81 0.25 0.00 0.48 0.00 0.00 55.95 55.77 2pwg s SER 118 Cb 0.21 0.72 0.49 0.00 0.10 0.00 0.00 66.02 67.54 2pwg s SER 118 CO 0.78 -1.36 1.52 0.11 0.98 0.00 0.00 173.24 175.27 2pwg h LYS 119 N 2.06 0.00 -0.23 4.02 1.57 -1.88 -3.37 116.57 118.74 2pwg h LYS 119 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2pwg h LYS 119 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2pwg h LYS 119 CO 0.29 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.77 2pwg n ASP 120 N -2.39 3.65 -4.91 0.86 5.75 -1.26 -4.90 116.55 113.36 2pwg n ASP 120 Ca 0.04 -2.99 -0.27 0.00 -0.01 0.00 0.00 54.79 51.56 2pwg n ASP 120 Cb 0.46 -0.52 0.02 0.00 -1.03 0.00 0.00 41.12 40.05 2pwg n ASP 120 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2pwg s ASN 121 N -2.02 5.91 0.00 -1.12 2.20 -1.26 -4.96 114.94 113.70 2pwg s ASN 121 Ca 0.40 0.86 0.13 0.00 -0.94 0.00 0.00 52.86 53.31 2pwg s ASN 121 Cb 0.32 -1.98 0.80 0.00 -2.00 0.00 0.00 41.25 38.39 2pwg s ASN 121 CO 0.08 -0.86 1.23 -0.81 -2.94 0.00 0.00 177.10 173.81 2pwg n PRO 122 N -2.47 0.42 -0.04 3.55 -0.04 -1.26 -2.32 135.00 132.83 2pwg n PRO 122 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2pwg n PRO 122 Cb 0.56 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.58 2pwg n PRO 122 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwg n TYR 123 N -1.00 0.11 -0.14 0.54 4.02 -1.26 -4.70 117.16 114.72 2pwg n TYR 123 Ca 0.10 -0.16 -0.03 0.00 -0.01 0.00 0.00 57.90 57.79 2pwg n TYR 123 Cb 0.05 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.39 2pwg n TYR 123 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2pwg h ARG 124 N 1.53 0.07 -0.85 -0.72 9.65 -1.68 -0.69 114.38 121.69 2pwg h ARG 124 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2pwg h ARG 124 Cb 0.44 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 2pwg h ARG 124 CO 0.00 0.04 0.00 -0.40 2.80 0.00 0.00 179.97 182.41 2pwg n ASP 125 N -5.26 1.52 -0.03 -3.80 5.68 -1.26 -3.26 116.55 110.14 2pwg n ASP 125 Ca 0.04 -2.11 0.13 0.00 -0.50 0.00 0.00 54.79 52.35 2pwg n ASP 125 Cb 0.24 -0.48 0.46 0.00 -1.14 0.00 0.00 41.12 40.20 2pwg n ASP 125 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 2pwg n TYR 126 N 0.05 0.00 -4.24 2.11 4.02 -0.26 -4.57 117.16 114.26 2pwg n TYR 126 Ca 0.04 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.77 2pwg n TYR 126 Cb 0.35 -0.32 -0.09 0.00 -0.02 0.00 0.00 39.34 39.25 2pwg n TYR 126 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2pwg s TYR 127 N -2.88 1.46 -0.41 -0.72 1.51 -1.20 -0.41 117.35 114.70 2pwg s TYR 127 Ca 0.16 -1.52 -0.15 0.00 -1.01 0.00 0.00 57.07 54.55 2pwg s TYR 127 Cb 0.19 -0.64 0.02 0.00 -0.11 0.00 0.00 41.96 41.42 2pwg s TYR 127 CO 0.59 -0.75 0.31 -0.06 -1.11 0.00 0.00 175.55 174.52 2pwg s PHE 128 N -3.81 3.24 -0.18 2.71 0.08 -1.26 -4.71 117.98 114.06 2pwg s PHE 128 Ca 0.40 -0.61 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 2pwg s PHE 128 Cb 0.05 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 39.86 2pwg s PHE 128 CO 0.20 -0.60 -0.07 -1.58 -0.10 0.00 0.00 175.22 173.06 2pwg s TRP 129 N 1.68 2.92 0.04 0.36 0.52 -1.26 -1.87 118.94 121.33 2pwg s TRP 129 Ca 0.05 -0.78 -0.01 0.00 0.02 0.00 0.00 56.10 55.38 2pwg s TRP 129 Cb -0.19 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.09 2pwg s TRP 129 CO 0.10 -0.38 -0.03 1.03 0.02 0.00 0.00 176.95 177.69 2pwg s ARG 130 N 0.98 0.51 0.41 4.98 1.81 -0.34 -4.94 118.95 122.36 2pwg s ARG 130 Ca -0.01 -1.00 -0.22 0.00 -1.72 0.00 0.00 55.73 52.78 2pwg s ARG 130 Cb -0.15 0.17 -0.10 0.00 -0.45 0.00 0.00 34.95 34.42 2pwg s ARG 130 CO -0.00 -0.09 0.97 -0.51 -0.68 0.00 0.00 175.30 174.99 2pwg s ASP 131 N -2.40 6.92 1.06 0.23 1.01 -1.26 -0.76 116.67 121.47 2pwg s ASP 131 Ca -0.01 1.78 -0.17 0.00 0.71 0.00 0.00 52.55 54.86 2pwg s ASP 131 Cb 0.01 -2.55 0.23 0.00 1.01 0.00 0.00 42.92 41.62 2pwg s ASP 131 CO -0.07 -0.37 1.20 -0.83 0.21 0.00 0.00 175.17 175.31 2pwg s GLY 132 N -1.98 1.67 0.00 0.21 0.00 -1.26 -4.22 107.32 101.73 2pwg s GLY 132 Ca 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2pwg s GLY 132 CO 0.17 -0.21 -0.01 0.54 0.00 0.00 0.00 173.10 173.59 2pwg s LYS 133 N -5.60 0.11 -1.47 2.90 3.01 0.43 -4.79 119.74 114.34 2pwg s LYS 133 Ca 0.71 -0.15 -0.11 0.00 -1.01 0.00 0.00 55.97 55.41 2pwg s LYS 133 Cb -0.08 -0.03 0.05 0.00 -1.01 0.00 0.00 37.83 36.77 2pwg s LYS 133 CO 0.54 0.00 0.96 -0.40 0.51 0.00 0.00 175.35 176.96 2pwg n ASP 134 N 2.74 -5.39 0.00 2.83 5.68 -1.26 -0.02 116.55 121.13 2pwg n ASP 134 Ca -0.15 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.53 2pwg n ASP 134 Cb 0.59 -4.29 0.00 0.00 -1.14 0.00 0.00 41.12 36.27 2pwg n ASP 134 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pwg n GLY 135 N -1.73 0.81 0.00 6.12 0.00 -1.26 -4.95 105.19 104.17 2pwg n GLY 135 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2pwg n GLY 135 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2pwg n HIS 136 N -2.00 -0.75 -0.47 1.61 1.44 0.97 -5.10 115.22 110.92 2pwg n HIS 136 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 2pwg n HIS 136 Cb 0.00 0.00 0.27 0.00 0.12 0.00 0.00 29.99 30.38 2pwg n HIS 136 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2pwg s GLU 137 N -1.95 -2.15 0.29 -1.40 8.01 -1.26 -0.43 118.70 119.81 2pwg s GLU 137 Ca 0.00 0.38 -0.01 0.00 0.01 0.00 0.00 54.97 55.34 2pwg s GLU 137 Cb 0.00 -1.45 0.43 0.00 -4.31 0.00 0.00 34.13 28.80 2pwg s GLU 137 CO 0.00 -4.42 1.88 -1.35 0.01 0.00 0.00 175.26 171.38 2pwg h PRO 138 N -3.10 0.90 0.00 0.39 0.11 -1.87 -2.20 132.00 126.22 2pwg h PRO 138 Ca -0.51 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.46 2pwg h PRO 138 Cb 1.34 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 2pwg h PRO 138 CO 0.37 0.72 0.01 0.27 -0.21 0.00 0.00 178.00 179.17 2pwg n ASN 139 N -4.32 -0.10 -0.94 -2.05 0.23 -1.26 -4.60 115.26 102.20 2pwg n ASN 139 Ca 0.05 -1.08 0.04 0.00 -0.53 0.00 0.00 54.58 53.06 2pwg n ASN 139 Cb 0.16 0.17 0.16 0.00 -2.08 0.00 0.00 39.78 38.19 2pwg n ASN 139 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2pwg n ASN 140 N -1.18 2.63 -4.68 0.53 0.23 -1.26 -4.95 115.26 106.58 2pwg n ASN 140 Ca -0.00 -2.28 -0.46 0.00 -0.53 0.00 0.00 54.58 51.30 2pwg n ASN 140 Cb 0.03 -0.47 -0.04 0.00 -2.08 0.00 0.00 39.78 37.21 2pwg n ASN 140 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2pwg n TYR 141 N 0.31 2.39 -3.47 -2.53 4.02 -1.26 -4.89 117.16 111.73 2pwg n TYR 141 Ca 0.11 -0.12 -0.26 0.00 -0.01 0.00 0.00 57.90 57.62 2pwg n TYR 141 Cb 0.54 -2.71 -0.02 0.00 -0.02 0.00 0.00 39.34 37.13 2pwg n TYR 141 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2pwg s PRO 142 N 4.13 3.54 0.04 -0.72 0.04 -1.26 -0.77 135.00 140.00 2pwg s PRO 142 Ca 0.91 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2pwg s PRO 142 Cb -0.61 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2pwg s PRO 142 CO 0.48 0.25 0.14 0.45 0.04 0.00 0.00 177.00 178.37 2pwg s SER 143 N -3.52 6.00 0.53 6.66 0.15 0.43 -4.39 113.70 119.56 2pwg s SER 143 Ca 0.40 0.18 0.27 0.00 0.70 0.00 0.00 55.95 57.51 2pwg s SER 143 Cb -0.10 -1.77 1.48 0.00 -1.71 0.00 0.00 66.02 63.91 2pwg s SER 143 CO 0.32 0.21 2.09 -0.26 1.20 0.00 0.00 173.24 176.80 2pwg h PHE 144 N 3.48 0.00 -0.45 3.44 0.04 -1.25 -3.00 116.94 119.20 2pwg h PHE 144 Ca -0.47 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.23 2pwg h PHE 144 Cb 1.17 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.28 2pwg h PHE 144 CO 0.63 0.11 0.05 1.19 -0.60 0.00 0.00 178.31 179.69 2pwg n PHE 145 N -3.68 1.55 0.00 -0.55 3.72 -1.26 -4.92 117.46 112.32 2pwg n PHE 145 Ca -0.02 -1.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.38 2pwg n PHE 145 Cb 0.22 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 2pwg n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwg n GLY 146 N -0.26 3.59 7.00 1.37 0.00 -1.14 -4.05 105.19 111.71 2pwg n GLY 146 Ca 0.28 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2pwg n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pwg n GLY 147 N 0.26 0.96 3.78 -0.02 0.00 -1.26 -4.47 105.19 104.43 2pwg n GLY 147 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 2pwg n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pwg s SER 148 N -4.00 5.47 0.00 1.61 0.15 -1.26 -0.43 113.70 115.23 2pwg s SER 148 Ca 0.00 2.03 0.19 0.00 0.70 0.00 0.00 55.95 58.87 2pwg s SER 148 Cb 0.00 -2.56 0.75 0.00 -1.71 0.00 0.00 66.02 62.50 2pwg s SER 148 CO 0.00 -1.39 1.54 0.00 1.20 0.00 0.00 173.24 174.59 2pwg n ALA 149 N -1.92 2.53 -3.04 5.45 0.00 0.06 -4.26 120.51 119.33 2pwg n ALA 149 Ca 0.10 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 2pwg n ALA 149 Cb 0.52 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 2pwg n ALA 149 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2pwg s TRP 150 N -1.81 2.74 -0.13 0.00 0.52 -1.26 -0.11 118.94 118.89 2pwg s TRP 150 Ca 0.30 -0.69 0.01 0.00 0.02 0.00 0.00 56.10 55.74 2pwg s TRP 150 Cb 0.16 -1.79 0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2pwg s TRP 150 CO 0.24 -0.22 -0.16 -2.00 0.02 0.00 0.00 176.95 174.82 2pwg s GLU 151 N 0.24 2.43 0.29 4.98 2.56 -0.47 -4.91 118.70 123.83 2pwg s GLU 151 Ca -0.11 -0.63 -0.29 0.00 0.00 0.00 0.00 54.97 53.95 2pwg s GLU 151 Cb -0.16 -2.09 -0.09 0.00 2.00 0.00 0.00 34.13 33.79 2pwg s GLU 151 CO 0.06 -0.12 1.09 0.21 -0.56 0.00 0.00 175.26 175.94 2pwg s LYS 152 N 1.13 4.59 -0.25 4.30 2.20 -1.26 -0.96 119.74 129.50 2pwg s LYS 152 Ca -0.02 1.77 0.03 0.00 -0.36 0.00 0.00 55.97 57.38 2pwg s LYS 152 Cb -0.14 -3.12 0.06 0.00 -1.51 0.00 0.00 37.83 33.11 2pwg s LYS 152 CO -0.05 0.18 -0.11 0.34 -0.36 0.00 0.00 175.35 175.35 2pwg s ASP 153 N -0.96 4.22 0.46 1.43 -1.08 -0.05 -4.95 116.67 115.75 2pwg s ASP 153 Ca 0.46 -1.29 0.25 0.00 -0.52 0.00 0.00 52.55 51.45 2pwg s ASP 153 Cb -0.31 -1.49 1.28 0.00 -1.46 0.00 0.00 42.92 40.94 2pwg s ASP 153 CO 0.39 -0.17 1.80 -0.65 0.52 0.00 0.00 175.17 177.06 2pwg h PRO 154 N 7.81 0.22 -0.98 4.34 0.11 -1.95 0.12 132.00 141.68 2pwg h PRO 154 Ca -0.22 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.01 2pwg h PRO 154 Cb 1.05 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.03 2pwg h PRO 154 CO 0.47 0.15 0.62 0.28 -0.21 0.00 0.00 178.00 179.31 2pwg h VAL 155 N 0.23 0.88 0.00 3.15 2.07 -1.95 -3.28 116.25 117.35 2pwg h VAL 155 Ca 0.56 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.77 2pwg h VAL 155 Cb 1.75 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2pwg h VAL 155 CO -0.17 0.17 -0.56 0.35 0.02 0.00 0.00 177.57 177.37 2pwg n THR 156 N -4.62 0.00 -0.43 2.57 -2.24 -0.74 -4.96 114.28 103.86 2pwg n THR 156 Ca 0.19 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2pwg n THR 156 Cb 0.40 0.73 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 2pwg n THR 156 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 157 N 1.73 1.34 3.99 3.38 0.00 -0.05 -5.03 105.19 110.55 2pwg n GLY 157 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2pwg n GLY 157 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwg s GLN 158 N -0.30 3.07 -0.09 1.61 -0.21 -1.25 -4.69 119.66 117.80 2pwg s GLN 158 Ca 0.00 -1.05 -0.02 0.00 0.02 0.00 0.00 55.36 54.31 2pwg s GLN 158 Cb 0.00 -2.81 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 2pwg s GLN 158 CO 0.00 0.02 -0.00 0.71 -2.12 0.00 0.00 175.29 173.90 2pwg s TYR 159 N -2.20 3.15 0.11 0.91 1.51 0.06 -0.87 117.35 120.01 2pwg s TYR 159 Ca 0.46 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.73 2pwg s TYR 159 Cb -0.10 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2pwg s TYR 159 CO 0.31 0.44 0.06 1.52 -1.11 0.00 0.00 175.55 176.78 2pwg s TYR 160 N -0.82 3.11 0.07 2.71 -0.85 -0.13 -1.20 117.35 120.24 2pwg s TYR 160 Ca 0.12 0.02 -0.20 0.00 -0.52 0.00 0.00 57.07 56.49 2pwg s TYR 160 Cb -0.11 -1.56 -0.07 0.00 0.38 0.00 0.00 41.96 40.60 2pwg s TYR 160 CO 0.02 0.51 0.60 -1.17 -1.52 0.00 0.00 175.55 174.00 2pwg s LEU 161 N -2.55 4.52 -0.28 -3.49 2.96 -0.78 -1.36 118.68 117.70 2pwg s LEU 161 Ca 0.29 1.30 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 2pwg s LEU 161 Cb -0.11 -2.96 0.15 0.00 0.50 0.00 0.00 46.19 43.77 2pwg s LEU 161 CO 0.21 0.24 0.40 -1.38 -1.32 0.00 0.00 176.35 174.50 2pwg s HIS 162 N -0.96 -0.94 0.24 5.38 -3.43 0.84 -1.42 115.29 115.00 2pwg s HIS 162 Ca 0.30 0.48 -0.06 0.00 -0.80 0.00 0.00 55.06 54.98 2pwg s HIS 162 Cb -0.20 -0.10 0.23 0.00 -1.43 0.00 0.00 32.58 31.08 2pwg s HIS 162 CO 0.20 -0.90 1.81 1.88 -2.00 0.00 0.00 174.74 175.73 2pwg h TYR 163 N 8.17 1.15 0.00 0.38 0.05 -1.80 -3.40 116.97 121.52 2pwg h TYR 163 Ca -0.12 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.59 2pwg h TYR 163 Cb 1.13 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 38.52 2pwg h TYR 163 CO 0.22 0.86 0.00 1.19 -1.05 0.00 0.00 178.16 179.38 2pwg n PHE 164 N -4.29 0.00 -1.37 4.88 3.01 -1.26 -0.87 117.46 117.55 2pwg n PHE 164 Ca 0.07 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.17 2pwg n PHE 164 Cb 0.17 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.72 2pwg n PHE 164 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pwg n GLY 165 N 5.00 -0.53 0.32 1.37 0.00 -1.26 -4.46 105.19 105.63 2pwg n GLY 165 Ca 0.00 -0.32 0.20 0.00 0.00 0.00 0.00 46.02 45.90 2pwg n GLY 165 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pwg h ARG 166 N -0.19 0.00 -0.62 1.61 3.08 -1.93 0.10 114.38 116.43 2pwg h ARG 166 Ca -0.47 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.39 2pwg h ARG 166 Cb 1.34 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.27 2pwg h ARG 166 CO 0.47 0.01 0.20 1.04 -1.07 0.00 0.00 179.97 180.61 2pwg n GLN 167 N -3.34 3.28 -3.21 0.04 6.02 -1.26 -4.50 117.38 114.42 2pwg n GLN 167 Ca -0.03 -3.07 -0.24 0.00 -0.01 0.00 0.00 57.00 53.66 2pwg n GLN 167 Cb 0.09 -2.10 -0.06 0.00 1.02 0.00 0.00 30.24 29.19 2pwg n GLN 167 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pwg n GLN 168 N -0.39 1.62 -1.93 -1.09 6.02 0.02 -1.96 117.38 119.68 2pwg n GLN 168 Ca 0.38 -3.88 -0.42 0.00 -0.01 0.00 0.00 57.00 53.06 2pwg n GLN 168 Cb 1.28 -1.75 -0.03 0.00 1.02 0.00 0.00 30.24 30.76 2pwg n GLN 168 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2pwg s PRO 169 N -2.13 4.21 0.27 -1.09 0.04 -1.07 -4.54 135.00 130.69 2pwg s PRO 169 Ca 0.39 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.51 2pwg s PRO 169 Cb 0.22 -3.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.52 2pwg s PRO 169 CO -0.08 -0.59 1.39 -0.51 0.04 0.00 0.00 177.00 177.24 2pwg s ASP 170 N 1.03 6.71 0.40 6.66 1.11 -0.50 -1.90 116.67 130.17 2pwg s ASP 170 Ca 0.69 2.65 -0.23 0.00 0.18 0.00 0.00 52.55 55.84 2pwg s ASP 170 Cb -0.44 -2.63 -0.10 0.00 1.07 0.00 0.00 42.92 40.82 2pwg s ASP 170 CO 0.33 -0.64 0.98 -0.76 1.18 0.00 0.00 175.17 176.26 2pwg s LEU 171 N -0.81 4.09 -0.82 1.23 1.43 0.29 -4.03 118.68 120.07 2pwg s LEU 171 Ca 0.56 1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 55.32 2pwg s LEU 171 Cb -0.41 -4.31 0.15 0.00 0.03 0.00 0.00 46.19 41.65 2pwg s LEU 171 CO 0.46 -0.35 0.92 0.21 0.23 0.00 0.00 176.35 177.82 2pwg s ASN 172 N -1.86 6.57 0.04 2.29 3.84 0.45 -4.87 114.94 121.39 2pwg s ASN 172 Ca 0.58 -2.09 0.12 0.00 0.21 0.00 0.00 52.86 51.68 2pwg s ASN 172 Cb -0.15 -2.32 0.50 0.00 -0.55 0.00 0.00 41.25 38.73 2pwg s ASN 172 CO 0.20 -0.93 1.36 0.79 -2.79 0.00 0.00 177.10 175.73 2pwg n TRP 173 N 5.72 0.10 1.02 0.43 7.02 -1.26 -1.94 117.44 128.53 2pwg n TRP 173 Ca 0.13 0.04 0.13 0.00 -1.02 0.00 0.00 57.50 56.78 2pwg n TRP 173 Cb 0.47 -0.57 0.59 0.00 -2.42 0.00 0.00 31.31 29.38 2pwg n TRP 173 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2pwg n ASP 174 N -1.60 0.00 -4.44 -0.99 8.00 -1.26 -4.60 116.55 111.66 2pwg n ASP 174 Ca 0.02 0.30 -0.44 0.00 0.71 0.00 0.00 54.79 55.39 2pwg n ASP 174 Cb 0.12 -0.43 -0.08 0.00 -0.02 0.00 0.00 41.12 40.72 2pwg n ASP 174 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2pwg s THR 175 N -2.86 5.07 0.30 -3.53 2.01 -0.82 -4.96 115.64 110.86 2pwg s THR 175 Ca 0.17 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.59 2pwg s THR 175 Cb 0.17 -4.14 0.33 0.00 0.01 0.00 0.00 72.50 68.87 2pwg s THR 175 CO 0.45 -0.59 1.64 -0.65 -0.69 0.00 0.00 174.62 174.78 2pwg h PRO 176 N 8.82 0.18 -0.42 4.92 0.11 -1.88 0.93 132.00 144.66 2pwg h PRO 176 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2pwg h PRO 176 Cb 1.11 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2pwg h PRO 176 CO 0.87 0.12 0.12 0.87 -0.21 0.00 0.00 178.00 179.77 2pwg h LYS 177 N 0.18 0.61 -0.07 1.05 1.57 -1.95 -0.97 116.57 116.99 2pwg h LYS 177 Ca 0.60 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 2pwg h LYS 177 Cb 1.26 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2pwg h LYS 177 CO -0.69 0.55 0.01 1.25 -0.57 0.00 0.00 179.45 179.99 2pwg h LEU 178 N 0.60 0.12 -0.78 2.94 7.12 -1.14 -1.58 115.31 122.60 2pwg h LEU 178 Ca 0.14 -0.28 0.10 0.00 0.13 0.00 0.00 57.88 57.97 2pwg h LEU 178 Cb 0.20 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 40.22 2pwg h LEU 178 CO -0.01 0.37 0.42 0.03 -0.13 0.00 0.00 178.44 179.13 2pwg h ARG 179 N -0.13 0.68 -0.29 1.25 3.08 -0.81 -0.51 114.38 117.64 2pwg h ARG 179 Ca 0.02 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2pwg h ARG 179 Cb 0.31 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2pwg h ARG 179 CO 0.00 0.45 -0.13 0.93 -1.07 0.00 0.00 179.97 180.15 2pwg h GLU 180 N 0.70 0.50 -0.37 0.04 4.39 -0.99 -1.15 114.58 117.70 2pwg h GLU 180 Ca 0.38 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.81 2pwg h GLU 180 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2pwg h GLU 180 CO -0.26 0.63 -0.27 0.93 -1.16 0.00 0.00 179.01 178.87 2pwg h GLU 181 N 0.46 0.78 -0.56 2.33 5.08 -0.13 -1.79 114.58 120.75 2pwg h GLU 181 Ca 0.08 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2pwg h GLU 181 Cb 0.51 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2pwg h GLU 181 CO 0.03 0.96 0.06 -0.07 -1.00 0.00 0.00 179.01 178.99 2pwg h LEU 182 N 0.67 0.88 -0.46 1.33 3.38 -0.41 -1.36 115.31 119.33 2pwg h LEU 182 Ca 0.08 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2pwg h LEU 182 Cb 0.80 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2pwg h LEU 182 CO 0.07 0.91 -0.24 1.88 0.09 0.00 0.00 178.44 181.14 2pwg h TYR 183 N 0.87 1.13 -0.61 1.13 0.05 -1.02 -0.78 116.97 117.73 2pwg h TYR 183 Ca 0.17 -0.28 -0.06 0.00 0.05 0.00 0.00 58.73 58.61 2pwg h TYR 183 Cb 0.42 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2pwg h TYR 183 CO 0.03 1.11 0.15 0.00 -1.05 0.00 0.00 178.16 178.39 2pwg h ALA 184 N 0.85 1.11 -0.49 3.88 0.00 -1.19 -1.84 119.26 121.57 2pwg h ALA 184 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2pwg h ALA 184 Cb 0.82 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2pwg h ALA 184 CO 0.07 0.60 0.20 1.98 0.00 0.00 0.00 179.25 182.10 2pwg h MET 185 N 0.91 0.73 -0.43 0.00 1.85 -0.97 -2.07 114.93 114.94 2pwg h MET 185 Ca 0.20 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2pwg h MET 185 Cb 0.33 -0.12 -0.02 0.00 0.43 0.00 0.00 31.60 32.22 2pwg h MET 185 CO 0.00 0.65 0.18 -0.07 -0.40 0.00 0.00 176.91 177.27 2pwg h LEU 186 N 0.65 0.59 -1.77 3.39 3.38 -0.68 -2.40 115.31 118.45 2pwg h LEU 186 Ca 0.16 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.01 2pwg h LEU 186 Cb 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2pwg h LEU 186 CO -0.01 0.58 0.21 0.03 0.09 0.00 0.00 178.44 179.34 2pwg h ARG 187 N 0.55 0.29 -0.29 1.13 3.08 -1.19 0.12 114.38 118.08 2pwg h ARG 187 Ca 0.15 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.22 2pwg h ARG 187 Cb 0.17 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2pwg h ARG 187 CO -0.01 0.19 0.04 0.35 -1.07 0.00 0.00 179.97 179.47 2pwg h PHE 188 N 0.30 0.06 0.03 3.04 3.57 -0.85 0.45 116.94 123.54 2pwg h PHE 188 Ca 0.13 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.39 2pwg h PHE 188 Cb 0.14 0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.91 2pwg h PHE 188 CO -0.00 -0.00 -1.04 -1.49 -2.23 0.00 0.00 178.31 173.55 2pwg h TRP 189 N 0.14 0.76 -0.58 0.41 4.06 -1.20 -3.20 115.95 116.33 2pwg h TRP 189 Ca 0.13 -0.43 -0.06 0.00 2.06 0.00 0.00 58.89 60.59 2pwg h TRP 189 Cb 0.15 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 2pwg h TRP 189 CO -0.18 1.27 0.13 -0.07 -3.56 0.00 0.00 178.44 176.02 2pwg h LEU 190 N 0.26 0.85 -2.32 -4.49 3.38 -0.44 -1.14 115.31 111.40 2pwg h LEU 190 Ca -0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2pwg h LEU 190 Cb 1.69 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2pwg h LEU 190 CO 0.19 0.83 -0.04 0.44 0.09 0.00 0.00 178.44 179.95 2pwg h ASP 191 N 0.86 0.00 0.85 -0.43 3.32 -0.13 0.10 116.42 120.99 2pwg h ASP 191 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2pwg h ASP 191 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2pwg h ASP 191 CO 0.00 0.04 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 2pwg n LYS 192 N -3.56 0.12 0.00 3.56 5.02 -0.44 -4.93 118.16 117.93 2pwg n LYS 192 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2pwg n LYS 192 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2pwg n LYS 192 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwg n GLY 193 N 1.37 0.76 3.63 0.72 0.00 0.35 -5.08 105.19 106.93 2pwg n GLY 193 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2pwg n GLY 193 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pwg n VAL 194 N -1.45 2.31 0.58 1.61 0.24 -1.24 -4.89 118.33 115.50 2pwg n VAL 194 Ca 0.00 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.91 2pwg n VAL 194 Cb 0.00 -1.23 0.03 0.00 -1.47 0.00 0.00 33.84 31.17 2pwg n VAL 194 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pwg n SER 195 N 0.64 0.62 -3.60 -1.34 7.64 -0.36 -4.78 113.62 112.44 2pwg n SER 195 Ca 0.08 -0.21 -0.15 0.00 1.01 0.00 0.00 58.87 59.61 2pwg n SER 195 Cb 0.37 0.75 -0.06 0.00 -1.01 0.00 0.00 64.21 64.27 2pwg n SER 195 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2pwg s GLY 196 N -3.63 -0.40 -0.05 0.23 0.00 -0.70 -1.32 107.32 101.45 2pwg s GLY 196 Ca 0.04 0.69 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2pwg s GLY 196 CO 0.80 0.40 -0.06 1.06 0.00 0.00 0.00 173.10 175.29 2pwg s MET 197 N -1.97 1.06 -0.17 2.90 1.00 -0.75 -1.33 119.30 120.03 2pwg s MET 197 Ca -0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 55.69 55.40 2pwg s MET 197 Cb -0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 34.83 33.80 2pwg s MET 197 CO 0.02 -0.06 -0.06 0.50 0.00 0.00 0.00 175.02 175.42 2pwg s ARG 198 N 0.88 3.52 -0.43 2.03 3.52 -0.35 -1.20 118.95 126.92 2pwg s ARG 198 Ca -0.11 -0.59 -0.17 0.00 -0.13 0.00 0.00 55.73 54.73 2pwg s ARG 198 Cb -0.15 -2.89 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 2pwg s ARG 198 CO 0.01 0.10 0.42 -0.06 -0.81 0.00 0.00 175.30 174.95 2pwg s PHE 199 N 0.71 3.18 0.16 5.12 0.40 0.83 0.08 117.98 128.46 2pwg s PHE 199 Ca -0.03 -0.50 -0.34 0.00 -0.60 0.00 0.00 56.93 55.46 2pwg s PHE 199 Cb -0.15 -2.92 -0.14 0.00 0.51 0.00 0.00 43.02 40.32 2pwg s PHE 199 CO 0.02 -0.72 1.52 -3.47 0.70 0.00 0.00 175.22 173.27 2pwg n ASP 200 N 5.51 2.82 -3.72 1.36 2.03 -0.59 -1.43 116.55 122.53 2pwg n ASP 200 Ca -0.09 1.10 -0.23 0.00 0.52 0.00 0.00 54.79 56.09 2pwg n ASP 200 Cb 0.47 -1.39 0.01 0.00 -0.72 0.00 0.00 41.12 39.49 2pwg n ASP 200 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2pwg n THR 201 N 3.10 -1.59 0.25 5.18 5.66 -1.20 -4.65 114.28 121.03 2pwg n THR 201 Ca 0.17 -0.23 0.14 0.00 -3.05 0.00 0.00 64.05 61.07 2pwg n THR 201 Cb 0.28 -1.38 0.62 0.00 -1.55 0.00 0.00 70.33 68.30 2pwg n THR 201 CO 0.00 0.00 0.00 1.62 -3.05 0.00 0.00 175.07 173.64 2pwg h VAL 202 N -0.04 0.34 0.00 1.08 3.04 -1.16 -3.10 116.25 116.42 2pwg h VAL 202 Ca -0.40 -0.75 0.00 0.00 -1.01 0.00 0.00 66.70 64.54 2pwg h VAL 202 Cb 0.80 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 2pwg h VAL 202 CO 0.27 0.12 0.00 0.00 -1.01 0.00 0.00 177.57 176.95 2pwg n ALA 203 N -2.18 2.49 0.40 3.17 0.00 -1.26 -3.78 120.51 119.35 2pwg n ALA 203 Ca -0.00 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.41 2pwg n ALA 203 Cb 0.33 -1.49 0.19 0.00 0.00 0.00 0.00 19.45 18.48 2pwg n ALA 203 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2pwg n THR 204 N -1.27 0.43 -0.29 0.00 -2.24 -1.17 -4.17 114.28 105.57 2pwg n THR 204 Ca 0.15 -0.71 0.02 0.00 -2.27 0.00 0.00 64.05 61.23 2pwg n THR 204 Cb 0.23 1.06 0.15 0.00 -2.10 0.00 0.00 70.33 69.68 2pwg n THR 204 CO 0.00 0.00 0.00 1.88 -0.57 0.00 0.00 175.07 176.38 2pwg h TYR 205 N 4.39 0.86 -3.39 4.78 0.05 -1.77 -3.40 116.97 118.49 2pwg h TYR 205 Ca 0.00 0.03 -0.59 0.00 0.05 0.00 0.00 58.73 58.22 2pwg h TYR 205 Cb 0.97 -0.27 -0.09 0.00 1.01 0.00 0.00 36.73 38.35 2pwg h TYR 205 CO 0.20 0.38 0.17 0.45 -1.05 0.00 0.00 178.16 178.31 2pwg s SER 206 N -5.65 6.75 0.26 3.88 0.15 -1.26 -4.52 113.70 113.32 2pwg s SER 206 Ca -0.12 0.92 -0.03 0.00 0.70 0.00 0.00 55.95 57.42 2pwg s SER 206 Cb 0.19 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2pwg s SER 206 CO 0.78 -0.29 0.49 -0.54 1.20 0.00 0.00 173.24 174.89 2pwg s LYS 207 N 1.88 3.57 -0.15 5.44 3.01 -1.26 -3.18 119.74 129.06 2pwg s LYS 207 Ca 0.31 -0.16 -0.29 0.00 -1.01 0.00 0.00 55.97 54.82 2pwg s LYS 207 Cb -0.16 -2.72 -0.01 0.00 -1.01 0.00 0.00 37.83 33.93 2pwg s LYS 207 CO 0.11 0.28 1.08 0.99 0.51 0.00 0.00 175.35 178.32 2pwg s THR 208 N -2.03 4.60 0.07 2.17 2.01 -1.26 -4.53 115.64 116.67 2pwg s THR 208 Ca 0.41 1.90 -0.35 0.00 0.31 0.00 0.00 61.69 63.97 2pwg s THR 208 Cb -0.11 -4.22 -0.14 0.00 0.01 0.00 0.00 72.50 68.04 2pwg s THR 208 CO 0.30 -0.08 1.60 -2.65 -0.69 0.00 0.00 174.62 173.11 2pwg n PRO 209 N 5.69 1.90 0.00 4.92 -0.02 -1.26 -1.60 135.00 144.63 2pwg n PRO 209 Ca 0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2pwg n PRO 209 Cb 0.47 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2pwg n PRO 209 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pwg n GLY 210 N 3.48 2.26 4.14 -1.23 0.00 -1.26 -4.55 105.19 108.03 2pwg n GLY 210 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2pwg n GLY 210 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pwg n PHE 211 N -2.00 -1.44 -1.51 1.61 3.72 -0.62 -4.92 117.46 112.30 2pwg n PHE 211 Ca 0.00 0.65 -0.33 0.00 -0.05 0.00 0.00 57.45 57.72 2pwg n PHE 211 Cb 0.00 -3.21 0.07 0.00 -0.94 0.00 0.00 39.48 35.40 2pwg n PHE 211 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2pwg s PRO 212 N -7.01 2.43 0.63 -1.08 0.04 -1.26 -4.71 135.00 124.03 2pwg s PRO 212 Ca 0.03 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.29 2pwg s PRO 212 Cb -0.01 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 2pwg s PRO 212 CO 0.95 -1.55 1.31 -0.51 0.04 0.00 0.00 177.00 177.24 2pwg s ASP 213 N -2.69 4.72 0.37 6.66 1.01 -1.26 -4.90 116.67 120.58 2pwg s ASP 213 Ca 0.67 2.66 -0.25 0.00 0.71 0.00 0.00 52.55 56.34 2pwg s ASP 213 Cb -0.21 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.00 2pwg s ASP 213 CO 0.47 -1.93 1.01 -0.76 0.21 0.00 0.00 175.17 174.17 2pwg s LEU 214 N -4.21 4.21 0.76 1.23 1.43 -1.26 -5.01 118.68 115.83 2pwg s LEU 214 Ca 0.81 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.76 2pwg s LEU 214 Cb -0.38 -4.12 0.05 0.00 0.03 0.00 0.00 46.19 41.76 2pwg s LEU 214 CO 0.41 -0.33 1.08 0.42 0.23 0.00 0.00 176.35 178.17 2pwg s THR 215 N -1.65 3.40 0.24 5.49 -4.23 -1.26 -4.73 115.64 112.90 2pwg s THR 215 Ca 0.55 0.46 -0.06 0.00 -1.18 0.00 0.00 61.69 61.46 2pwg s THR 215 Cb -0.21 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.65 2pwg s THR 215 CO 0.26 -0.60 1.69 -0.65 -0.54 0.00 0.00 174.62 174.78 2pwg h PRO 216 N -0.95 0.25 -0.23 3.99 0.11 -1.99 0.27 132.00 133.46 2pwg h PRO 216 Ca -0.46 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2pwg h PRO 216 Cb 1.25 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2pwg h PRO 216 CO 0.59 0.17 0.08 1.49 -0.21 0.00 0.00 178.00 180.11 2pwg h GLU 217 N 0.26 0.36 -0.53 1.05 4.57 -2.02 -2.75 114.58 115.52 2pwg h GLU 217 Ca 0.40 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2pwg h GLU 217 Cb 0.68 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2pwg h GLU 217 CO -0.50 0.43 0.24 1.96 -1.18 0.00 0.00 179.01 179.96 2pwg h GLN 218 N 0.21 0.74 -0.34 1.92 4.20 -1.60 -1.45 115.11 118.79 2pwg h GLN 218 Ca 0.07 -0.09 0.07 0.00 0.06 0.00 0.00 58.65 58.76 2pwg h GLN 218 Cb 0.22 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2pwg h GLN 218 CO -0.00 0.59 0.24 1.98 -0.67 0.00 0.00 178.83 180.96 2pwg h MET 219 N 0.74 0.16 0.00 1.46 4.05 -0.23 -0.75 114.93 120.37 2pwg h MET 219 Ca 0.18 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2pwg h MET 219 Cb 0.10 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 2pwg h MET 219 CO -0.02 0.11 -0.04 0.87 0.23 0.00 0.00 176.91 178.05 2pwg h LYS 220 N 0.17 0.00 -1.17 0.39 1.57 -1.07 -3.20 116.57 113.25 2pwg h LYS 220 Ca 0.15 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.53 2pwg h LYS 220 Cb 0.40 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.42 2pwg h LYS 220 CO -0.02 0.04 -0.87 -1.71 -0.57 0.00 0.00 179.45 176.32 2pwg n ASN 221 N -3.36 -0.81 0.08 0.86 4.05 -0.37 -4.98 115.26 110.73 2pwg n ASN 221 Ca -0.02 -3.12 0.17 0.00 0.45 0.00 0.00 54.58 52.06 2pwg n ASN 221 Cb 0.17 0.42 0.69 0.00 1.23 0.00 0.00 39.78 42.29 2pwg n ASN 221 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 177.26 176.40 2pwg h PHE 222 N 3.51 0.00 -0.94 1.20 -5.15 -1.34 -1.69 116.94 112.52 2pwg h PHE 222 Ca -0.00 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.90 2pwg h PHE 222 Cb 0.98 0.00 -0.08 0.00 0.22 0.00 0.00 35.95 37.08 2pwg h PHE 222 CO 0.31 0.00 0.60 0.00 -2.00 0.00 0.00 178.31 177.22 2pwg h ALA 223 N 1.80 1.68 -0.56 12.09 0.00 -1.90 -1.88 119.26 130.49 2pwg h ALA 223 Ca 0.18 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2pwg h ALA 223 Cb 0.73 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2pwg h ALA 223 CO -0.00 0.07 0.07 1.49 0.00 0.00 0.00 179.25 180.88 2pwg h GLU 224 N 0.84 0.94 -0.16 0.00 4.81 -1.34 -2.52 114.58 117.15 2pwg h GLU 224 Ca 0.47 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2pwg h GLU 224 Cb 0.60 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2pwg h GLU 224 CO -0.23 0.91 -0.13 0.00 -0.73 0.00 0.00 179.01 178.83 2pwg h ALA 225 N 0.99 1.50 0.00 2.92 0.00 -1.46 -1.86 119.26 121.35 2pwg h ALA 225 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2pwg h ALA 225 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2pwg h ALA 225 CO 0.02 0.36 0.00 0.66 0.00 0.00 0.00 179.25 180.28 2pwg n TYR 226 N -4.27 0.00 -0.19 0.00 4.01 -0.95 -1.87 117.16 113.88 2pwg n TYR 226 Ca -0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.83 2pwg n TYR 226 Cb 0.27 -0.40 0.24 0.00 -0.31 0.00 0.00 39.34 39.14 2pwg n TYR 226 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2pwg n THR 227 N -1.40 0.90 -0.98 -0.72 -2.24 -0.70 -4.24 114.28 104.90 2pwg n THR 227 Ca 0.05 -0.95 0.03 0.00 -2.27 0.00 0.00 64.05 60.91 2pwg n THR 227 Cb 0.14 0.59 0.35 0.00 -2.10 0.00 0.00 70.33 69.31 2pwg n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pwg n GLN 228 N 1.22 4.16 -1.73 -0.78 1.13 -0.78 -4.87 117.38 115.72 2pwg n GLN 228 Ca 0.19 -3.10 -0.42 0.00 -1.94 0.00 0.00 57.00 51.72 2pwg n GLN 228 Cb 0.54 -2.18 -0.01 0.00 0.11 0.00 0.00 30.24 28.70 2pwg n GLN 228 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pwg n GLY 229 N 0.15 1.00 0.07 1.08 0.00 -1.19 -4.87 105.19 101.42 2pwg n GLY 229 Ca 0.32 0.38 0.09 0.00 0.00 0.00 0.00 46.02 46.80 2pwg n GLY 229 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2pwg n PRO 230 N 1.12 0.09 -0.17 1.61 -0.04 -1.26 -3.13 135.00 133.23 2pwg n PRO 230 Ca 0.05 0.37 0.05 0.00 -0.04 0.00 0.00 63.50 63.94 2pwg n PRO 230 Cb 0.36 -1.69 0.15 0.00 -0.04 0.00 0.00 33.50 32.28 2pwg n PRO 230 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2pwg n ASN 231 N -1.87 2.89 -0.01 3.54 3.02 -1.26 -4.80 115.26 116.76 2pwg n ASN 231 Ca 0.02 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.39 2pwg n ASN 231 Cb 0.18 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.02 2pwg n ASN 231 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2pwg h LEU 232 N 1.87 -1.71 -1.22 3.41 5.85 -1.90 -0.85 115.31 120.76 2pwg h LEU 232 Ca 0.00 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2pwg h LEU 232 Cb 0.74 0.67 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2pwg h LEU 232 CO 0.01 -0.48 -0.25 0.45 -0.34 0.00 0.00 178.44 177.83 2pwg h HIS 233 N -0.57 0.00 -0.38 1.25 3.86 -1.87 -1.16 115.15 116.27 2pwg h HIS 233 Ca 0.04 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2pwg h HIS 233 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2pwg h HIS 233 CO -0.59 0.25 -0.05 -0.09 0.86 0.00 0.00 177.93 178.31 2pwg h ARG 234 N 0.00 0.70 -0.21 2.45 2.43 -1.77 -0.05 114.38 117.93 2pwg h ARG 234 Ca -0.00 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2pwg h ARG 234 Cb 0.71 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2pwg h ARG 234 CO 0.03 0.83 -0.06 1.88 -1.51 0.00 0.00 179.97 181.14 2pwg h TYR 235 N 0.51 0.46 -0.92 2.20 0.05 -0.61 -0.76 116.97 117.89 2pwg h TYR 235 Ca 0.10 -0.10 0.05 0.00 0.05 0.00 0.00 58.73 58.83 2pwg h TYR 235 Cb 0.55 -0.11 -0.06 0.00 1.01 0.00 0.00 36.73 38.12 2pwg h TYR 235 CO 0.04 0.66 0.60 -0.07 -1.05 0.00 0.00 178.16 178.35 2pwg h LEU 236 N 0.13 0.97 -0.51 3.88 3.38 -1.12 0.12 115.31 122.15 2pwg h LEU 236 Ca 0.05 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2pwg h LEU 236 Cb 0.52 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2pwg h LEU 236 CO 0.02 0.65 -0.27 1.56 0.09 0.00 0.00 178.44 180.49 2pwg h GLN 237 N 1.11 0.93 -0.61 1.13 4.20 -0.83 -2.04 115.11 119.00 2pwg h GLN 237 Ca 0.38 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 2pwg h GLN 237 Cb 0.09 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2pwg h GLN 237 CO -0.13 1.08 0.27 1.49 -0.67 0.00 0.00 178.83 180.87 2pwg h GLU 238 N 0.79 0.89 -0.67 1.46 4.81 -0.25 -0.97 114.58 120.64 2pwg h GLU 238 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2pwg h GLU 238 Cb 0.84 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 2pwg h GLU 238 CO 0.07 0.73 0.31 1.98 -0.73 0.00 0.00 179.01 181.38 2pwg h MET 239 N 0.83 0.96 -0.32 1.92 4.05 -0.79 -0.84 114.93 120.74 2pwg h MET 239 Ca 0.21 -0.13 -0.13 0.00 -0.28 0.00 0.00 59.70 59.37 2pwg h MET 239 Cb 0.15 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 2pwg h MET 239 CO -0.02 0.74 -0.30 1.25 0.23 0.00 0.00 176.91 178.81 2pwg h HIS 240 N 0.95 0.92 -0.48 1.39 -0.00 -1.04 -1.55 115.15 115.34 2pwg h HIS 240 Ca 0.23 -0.27 -0.11 0.00 -0.00 0.00 0.00 60.37 60.22 2pwg h HIS 240 Cb 0.11 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 2pwg h HIS 240 CO 0.01 1.04 -0.12 1.49 -0.00 0.00 0.00 177.93 180.35 2pwg h GLU 241 N 0.54 0.90 0.00 5.26 4.22 -0.83 0.62 114.58 125.28 2pwg h GLU 241 Ca 0.05 -0.32 -0.02 0.00 0.08 0.00 0.00 59.36 59.15 2pwg h GLU 241 Cb 0.88 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2pwg h GLU 241 CO 0.08 0.97 -0.72 0.87 -2.18 0.00 0.00 179.01 178.03 2pwg h LYS 242 N 0.80 0.00 0.00 1.92 1.57 -1.19 -3.41 116.57 116.26 2pwg h LYS 242 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2pwg h LYS 242 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2pwg h LYS 242 CO 0.05 0.06 0.00 0.28 -0.57 0.00 0.00 179.45 179.27 2pwg n VAL 243 N -2.86 0.00 0.32 0.50 0.31 -0.59 -4.84 118.33 111.17 2pwg n VAL 243 Ca 0.00 0.01 0.19 0.00 -0.01 0.00 0.00 64.34 64.53 2pwg n VAL 243 Cb 0.59 -0.67 1.02 0.00 -0.91 0.00 0.00 33.84 33.87 2pwg n VAL 243 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2pwg h PHE 244 N 0.00 0.00 0.00 3.52 0.04 -1.57 0.14 116.94 119.07 2pwg h PHE 244 Ca 0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2pwg h PHE 244 Cb 0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 2pwg h PHE 244 CO 0.00 0.00 -0.16 0.22 -0.60 0.00 0.00 178.31 177.77 2pwg h ASP 245 N 0.00 0.00 -0.62 2.17 1.82 -1.11 -2.13 116.42 116.55 2pwg h ASP 245 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2pwg h ASP 245 Cb 0.32 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2pwg h ASP 245 CO -0.00 0.16 0.00 1.41 -1.61 0.00 0.00 179.24 179.20 2pwg n HIS 246 N -3.84 0.82 -4.52 0.28 -0.00 0.49 -4.97 115.22 103.48 2pwg n HIS 246 Ca -0.02 -0.43 -0.26 0.00 -0.00 0.00 0.00 57.72 57.01 2pwg n HIS 246 Cb 0.25 -0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.16 2pwg n HIS 246 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2pwg s TYR 247 N -1.13 1.78 -0.19 4.41 1.51 -0.80 -5.05 117.35 117.88 2pwg s TYR 247 Ca 0.45 -1.33 0.14 0.00 -1.01 0.00 0.00 57.07 55.32 2pwg s TYR 247 Cb 0.24 -1.15 0.40 0.00 -0.11 0.00 0.00 41.96 41.34 2pwg s TYR 247 CO 0.32 -0.34 1.25 -3.47 -1.11 0.00 0.00 175.55 172.21 2pwg n ASP 248 N -1.41 2.28 -4.86 2.29 2.03 -1.26 -4.96 116.55 110.66 2pwg n ASP 248 Ca -0.06 -3.50 -0.35 0.00 0.52 0.00 0.00 54.79 51.40 2pwg n ASP 248 Cb 0.65 -0.51 -0.06 0.00 -0.72 0.00 0.00 41.12 40.48 2pwg n ASP 248 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pwg s ALA 249 N -3.07 3.68 0.14 -1.67 0.00 -1.26 -4.96 121.76 114.62 2pwg s ALA 249 Ca 0.37 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.79 2pwg s ALA 249 Cb 0.34 -2.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.04 2pwg s ALA 249 CO -0.01 0.53 0.74 0.54 0.00 0.00 0.00 175.76 177.56 2pwg s VAL 250 N -1.40 4.47 0.06 0.00 0.11 -0.43 -4.94 120.40 118.26 2pwg s VAL 250 Ca 0.34 1.61 0.05 0.00 -2.93 0.00 0.00 61.98 61.05 2pwg s VAL 250 Cb -0.14 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2pwg s VAL 250 CO 0.18 0.51 -0.06 0.42 -3.33 0.00 0.00 175.10 172.83 2pwg s THR 251 N -1.03 3.67 -0.01 5.04 -4.23 -1.26 -1.82 115.64 116.00 2pwg s THR 251 Ca 0.35 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2pwg s THR 251 Cb -0.22 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2pwg s THR 251 CO 0.25 0.23 -0.02 0.00 -0.54 0.00 0.00 174.62 174.53 2pwg s ALA 252 N -1.15 0.25 -0.11 3.99 0.00 -0.34 -1.43 121.76 122.96 2pwg s ALA 252 Ca 0.21 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.10 2pwg s ALA 252 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2pwg s ALA 252 CO 0.12 0.04 -0.14 0.20 0.00 0.00 0.00 175.76 175.99 2pwg s GLY 253 N 0.08 1.53 -0.58 0.00 0.00 -0.34 -0.12 107.32 107.89 2pwg s GLY 253 Ca -0.00 -0.92 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 2pwg s GLY 253 CO -0.00 -0.34 0.77 1.85 0.00 0.00 0.00 173.10 175.38 2pwg s GLU 254 N 0.07 3.12 -1.17 2.90 2.12 -0.51 -1.02 118.70 124.21 2pwg s GLU 254 Ca -0.06 -0.95 -0.14 0.00 0.36 0.00 0.00 54.97 54.19 2pwg s GLU 254 Cb -0.15 -4.18 0.18 0.00 0.26 0.00 0.00 34.13 30.24 2pwg s GLU 254 CO 0.05 -1.51 1.36 0.42 -0.54 0.00 0.00 175.26 175.03 2pwg s ILE 255 N 3.16 5.13 -0.22 -3.70 1.01 -0.51 -1.32 121.20 124.75 2pwg s ILE 255 Ca 0.17 -2.63 -0.21 0.00 0.00 0.00 0.00 60.65 57.98 2pwg s ILE 255 Cb -0.20 -4.86 -0.02 0.00 0.01 0.00 0.00 42.46 37.39 2pwg s ILE 255 CO 0.10 -1.55 0.63 0.12 0.00 0.00 0.00 174.94 174.24 2pwg s PHE 256 N 1.32 3.34 0.00 3.97 5.36 -1.26 -4.24 117.98 126.47 2pwg s PHE 256 Ca 0.40 0.90 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 2pwg s PHE 256 Cb -0.04 -2.82 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 2pwg s PHE 256 CO -0.02 -0.22 0.00 0.41 -1.46 0.00 0.00 175.22 173.93 2pwg n GLY 257 N 3.91 2.41 3.81 13.12 0.00 -1.26 -4.78 105.19 122.40 2pwg n GLY 257 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2pwg n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwg s ALA 258 N -2.29 3.25 0.45 4.61 0.00 -1.26 -3.48 121.76 123.03 2pwg s ALA 258 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 2pwg s ALA 258 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 2pwg s ALA 258 CO 0.00 0.24 1.25 -2.14 0.00 0.00 0.00 175.76 175.10 2pwg s PRO 259 N -2.50 3.76 0.43 0.00 0.02 -1.26 -4.91 135.00 130.55 2pwg s PRO 259 Ca 0.52 1.99 0.14 0.00 0.02 0.00 0.00 61.00 63.67 2pwg s PRO 259 Cb -0.14 -2.54 1.02 0.00 0.02 0.00 0.00 34.50 32.86 2pwg s PRO 259 CO 0.19 -0.61 1.95 1.25 -0.33 0.00 0.00 177.00 179.45 2pwg h LEU 260 N 2.24 0.40 -0.86 -5.54 5.85 -1.99 -1.32 115.31 114.09 2pwg h LEU 260 Ca -0.50 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 2pwg h LEU 260 Cb 1.25 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2pwg h LEU 260 CO 0.61 0.23 0.00 -0.46 -0.34 0.00 0.00 178.44 178.47 2pwg n ASN 261 N -4.48 0.45 0.12 1.25 2.04 -1.26 -1.31 115.26 112.07 2pwg n ASN 261 Ca 0.12 0.67 0.11 0.00 -0.44 0.00 0.00 54.58 55.04 2pwg n ASN 261 Cb 0.44 -0.74 0.03 0.00 -2.53 0.00 0.00 39.78 36.98 2pwg n ASN 261 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 2pwg h GLN 262 N 0.00 0.00 -0.78 -3.83 1.08 -1.60 -3.40 115.11 106.58 2pwg h GLN 262 Ca 0.00 0.00 0.18 0.00 -1.45 0.00 0.00 58.65 57.38 2pwg h GLN 262 Cb 0.13 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 2pwg h GLN 262 CO 0.00 0.03 0.17 0.28 -0.95 0.00 0.00 178.83 178.36 2pwg h VAL 263 N 0.00 0.43 -0.61 -0.54 2.07 -1.30 -1.78 116.25 114.52 2pwg h VAL 263 Ca -0.01 -0.08 0.18 0.00 0.82 0.00 0.00 66.70 67.60 2pwg h VAL 263 Cb 1.05 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2pwg h VAL 263 CO 0.00 0.04 0.44 -0.65 0.02 0.00 0.00 177.57 177.42 2pwg h PRO 264 N 0.23 0.00 -0.18 1.57 0.11 -1.77 0.28 132.00 132.24 2pwg h PRO 264 Ca 0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.55 2pwg h PRO 264 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 2pwg h PRO 264 CO -0.57 0.00 0.02 -0.07 -0.21 0.00 0.00 178.00 177.17 2pwg h LEU 265 N 0.00 0.22 0.08 2.35 3.38 -1.63 -1.07 115.31 118.63 2pwg h LEU 265 Ca 0.29 -0.02 -0.29 0.00 0.09 0.00 0.00 57.88 57.95 2pwg h LEU 265 Cb 1.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 2pwg h LEU 265 CO -0.00 0.25 -1.50 -0.26 0.09 0.00 0.00 178.44 177.02 2pwg h PHE 266 N 0.25 0.29 -0.00 1.13 -1.00 -1.08 -3.41 116.94 113.11 2pwg h PHE 266 Ca 0.06 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.63 2pwg h PHE 266 Cb 0.14 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.68 2pwg h PHE 266 CO 0.00 1.26 -0.35 0.44 -1.61 0.00 0.00 178.31 178.05 2pwg n ILE 267 N -3.36 0.00 -1.63 -0.55 -5.35 -1.07 -0.74 119.36 106.65 2pwg n ILE 267 Ca -0.14 -0.32 -0.43 0.00 -0.27 0.00 0.00 62.75 61.58 2pwg n ILE 267 Cb 1.03 1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 39.94 2pwg n ILE 267 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2pwg n ASP 268 N -0.84 3.73 -0.23 7.28 -0.08 -0.43 -4.32 116.55 121.66 2pwg n ASP 268 Ca 0.03 0.59 0.22 0.00 -1.51 0.00 0.00 54.79 54.12 2pwg n ASP 268 Cb 0.17 -1.53 0.57 0.00 2.34 0.00 0.00 41.12 42.67 2pwg n ASP 268 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2pwg h SER 269 N 12.53 0.30 -0.32 1.67 4.64 -1.33 -0.36 113.55 130.68 2pwg h SER 269 Ca -0.46 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2pwg h SER 269 Cb 1.24 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2pwg h SER 269 CO 0.95 0.11 0.18 0.03 -0.87 0.00 0.00 176.83 177.22 2pwg h ARG 270 N 0.29 0.48 0.00 4.77 3.08 -1.87 -2.30 114.38 118.83 2pwg h ARG 270 Ca 0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2pwg h ARG 270 Cb 1.35 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2pwg h ARG 270 CO -0.14 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.66 2pwg n ARG 271 N -4.43 0.10 -3.61 0.04 1.74 -0.15 -4.92 116.66 105.43 2pwg n ARG 271 Ca 0.02 0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 2pwg n ARG 271 Cb 0.11 -1.67 0.05 0.00 -1.02 0.00 0.00 32.46 29.93 2pwg n ARG 271 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2pwg n LYS 272 N -1.85 -4.41 0.00 5.56 5.02 -0.87 -4.93 118.16 116.68 2pwg n LYS 272 Ca 0.04 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 2pwg n LYS 272 Cb 0.25 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 2pwg n LYS 272 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2pwg n GLU 273 N -4.12 0.00 -4.28 1.97 1.02 -1.26 -4.60 120.64 109.36 2pwg n GLU 273 Ca -0.25 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.66 2pwg n GLU 273 Cb 0.66 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 32.01 2pwg n GLU 273 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pwg s LEU 274 N 0.00 3.17 -0.13 -4.62 1.43 0.08 -4.83 118.68 113.79 2pwg s LEU 274 Ca 0.00 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.27 2pwg s LEU 274 Cb 0.00 -1.68 -0.26 0.00 0.03 0.00 0.00 46.19 44.29 2pwg s LEU 274 CO 0.00 -0.05 0.43 0.44 0.23 0.00 0.00 176.35 177.40 2pwg h ASP 275 N 1.85 0.34 -4.00 2.29 3.32 -1.63 -3.37 116.42 115.21 2pwg h ASP 275 Ca -0.44 -0.83 -0.50 0.00 0.02 0.00 0.00 57.03 55.28 2pwg h ASP 275 Cb 1.25 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.49 2pwg h ASP 275 CO 0.61 1.69 -0.79 -0.04 -1.72 0.00 0.00 179.24 178.99 2pwg s MET 276 N -2.49 1.11 -0.00 3.56 -1.94 -0.52 -3.99 119.30 115.03 2pwg s MET 276 Ca -0.22 -1.23 0.03 0.00 -1.71 0.00 0.00 55.69 52.56 2pwg s MET 276 Cb 0.06 -1.21 -0.03 0.00 2.01 0.00 0.00 34.83 35.65 2pwg s MET 276 CO 0.74 0.26 -0.06 0.00 -0.01 0.00 0.00 175.02 175.95 2pwg s ALA 277 N -1.64 3.06 -0.28 3.03 0.00 -0.79 -1.20 121.76 123.94 2pwg s ALA 277 Ca 0.09 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2pwg s ALA 277 Cb -0.08 -1.17 0.07 0.00 0.00 0.00 0.00 23.12 21.94 2pwg s ALA 277 CO 0.04 0.62 -0.05 -0.06 0.00 0.00 0.00 175.76 176.31 2pwg s PHE 278 N -1.00 3.21 0.42 0.00 0.08 -0.19 -1.65 117.98 118.85 2pwg s PHE 278 Ca 0.17 -2.39 0.07 0.00 0.12 0.00 0.00 56.93 54.90 2pwg s PHE 278 Cb -0.11 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2pwg s PHE 278 CO 0.08 -0.88 0.23 0.95 -0.10 0.00 0.00 175.22 175.49 2pwg s THR 279 N 1.11 2.35 -1.03 0.64 -4.23 -1.26 -1.43 115.64 111.80 2pwg s THR 279 Ca -0.03 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 58.98 2pwg s THR 279 Cb -0.19 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.67 2pwg s THR 279 CO -0.07 0.00 0.68 0.49 -0.54 0.00 0.00 174.62 175.18 2pwg n PHE 280 N -1.32 0.00 -0.15 3.99 3.01 -1.26 -4.71 117.46 117.03 2pwg n PHE 280 Ca -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2pwg n PHE 280 Cb 0.64 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.13 2pwg n PHE 280 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2pwg h ASP 281 N 1.22 -0.68 0.27 4.37 5.19 -1.95 -0.36 116.42 124.48 2pwg h ASP 281 Ca 0.00 0.17 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2pwg h ASP 281 Cb 0.38 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.28 2pwg h ASP 281 CO 0.00 -0.23 -0.13 0.25 -3.12 0.00 0.00 179.24 176.02 2pwg h LEU 282 N -0.09 -0.30 -2.35 1.55 5.85 -1.92 -1.30 115.31 116.75 2pwg h LEU 282 Ca 0.22 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pwg h LEU 282 Cb 0.44 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2pwg h LEU 282 CO -0.53 0.17 0.00 -0.29 -0.34 0.00 0.00 178.44 177.45 2pwg h ILE 283 N -0.89 0.00 -0.12 4.05 2.10 -1.83 0.12 117.51 120.94 2pwg h ILE 283 Ca -0.04 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.77 2pwg h ILE 283 Cb 0.51 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.28 2pwg h ILE 283 CO 0.06 0.00 -0.02 0.54 -1.08 0.00 0.00 178.15 177.65 2pwg n ARG 284 N -2.94 1.99 0.25 2.19 5.12 -0.16 -4.73 116.66 118.40 2pwg n ARG 284 Ca -0.02 -2.73 0.16 0.00 -1.93 0.00 0.00 57.85 53.33 2pwg n ARG 284 Cb 0.13 -1.66 0.87 0.00 -1.16 0.00 0.00 32.46 30.64 2pwg n ARG 284 CO 0.00 0.00 0.00 0.10 -1.93 0.00 0.00 177.63 175.80 2pwg h TYR 285 N 0.82 0.00 -0.23 -1.55 -0.00 0.27 -1.54 116.97 114.73 2pwg h TYR 285 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 58.73 58.65 2pwg h TYR 285 Cb 1.21 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.89 2pwg h TYR 285 CO 0.27 0.00 -0.10 -0.40 -0.00 0.00 0.00 178.16 177.92 2pwg n ASP 286 N -3.81 2.70 -4.73 0.10 5.75 -1.26 -4.98 116.55 110.32 2pwg n ASP 286 Ca -0.01 -3.50 -0.35 0.00 -0.01 0.00 0.00 54.79 50.92 2pwg n ASP 286 Cb 0.21 -0.57 -0.08 0.00 -1.03 0.00 0.00 41.12 39.65 2pwg n ASP 286 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2pwg s ARG 287 N -3.09 3.36 0.84 0.11 6.06 -0.58 -0.41 118.95 125.25 2pwg s ARG 287 Ca 0.41 -0.31 -0.12 0.00 -2.50 0.00 0.00 55.73 53.22 2pwg s ARG 287 Cb 0.37 -3.01 0.10 0.00 0.06 0.00 0.00 34.95 32.46 2pwg s ARG 287 CO 0.02 0.62 1.10 0.00 -2.50 0.00 0.00 175.30 174.54 2pwg s ALA 288 N -0.62 1.95 0.40 6.12 0.00 -0.06 -4.82 121.76 124.72 2pwg s ALA 288 Ca 0.11 -0.18 0.09 0.00 0.00 0.00 0.00 51.96 51.98 2pwg s ALA 288 Cb -0.12 -3.13 0.88 0.00 0.00 0.00 0.00 23.12 20.76 2pwg s ALA 288 CO 0.02 -2.00 1.99 -0.07 0.00 0.00 0.00 175.76 175.70 2pwg h LEU 289 N -1.29 0.50 0.00 0.00 3.38 -1.96 -0.70 115.31 115.25 2pwg h LEU 289 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2pwg h LEU 289 Cb 1.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2pwg h LEU 289 CO 0.58 0.32 0.00 -0.90 0.09 0.00 0.00 178.44 178.53 2pwg n ASP 290 N -4.48 0.00 0.00 -0.43 5.68 -1.26 -4.90 116.55 111.16 2pwg n ASP 290 Ca 0.09 -0.04 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 2pwg n ASP 290 Cb 0.26 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 2pwg n ASP 290 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2pwg n ARG 291 N -1.29 -0.25 0.00 0.11 1.74 -0.27 -4.79 116.66 111.91 2pwg n ARG 291 Ca 0.11 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2pwg n ARG 291 Cb 0.20 -3.47 0.00 0.00 -1.02 0.00 0.00 32.46 28.17 2pwg n ARG 291 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2pwg n TRP 292 N -2.18 0.00 -4.24 -1.55 4.27 -1.26 -4.91 117.44 107.57 2pwg n TRP 292 Ca 0.00 -0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.38 2pwg n TRP 292 Cb 0.06 -0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 2pwg n TRP 292 CO 0.00 0.00 0.00 -1.01 -2.29 0.00 0.00 177.69 174.39 2pwg s HIS 293 N -0.01 2.78 0.24 -2.67 3.76 -1.26 -3.84 115.29 114.28 2pwg s HIS 293 Ca 0.00 -0.22 0.11 0.00 -0.15 0.00 0.00 55.06 54.80 2pwg s HIS 293 Cb 0.00 -1.28 -0.05 0.00 1.11 0.00 0.00 32.58 32.36 2pwg s HIS 293 CO 0.00 0.57 -0.19 0.95 -0.85 0.00 0.00 174.74 175.22 2pwg s THR 294 N -2.30 2.56 -0.05 1.30 -4.23 -1.26 -0.89 115.64 110.78 2pwg s THR 294 Ca 0.32 -2.16 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 2pwg s THR 294 Cb -0.06 -2.30 -0.00 0.00 1.34 0.00 0.00 72.50 71.48 2pwg s THR 294 CO 0.21 -0.26 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.20 2pwg s ILE 295 N -2.09 1.64 0.23 2.99 1.01 0.45 -4.77 121.20 120.66 2pwg s ILE 295 Ca 0.26 -0.83 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 2pwg s ILE 295 Cb -0.07 -1.41 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 2pwg s ILE 295 CO 0.13 0.47 1.53 -2.84 0.00 0.00 0.00 174.94 174.23 2pwg s PRO 296 N 0.01 4.21 0.29 2.79 0.02 -1.26 -4.68 135.00 136.38 2pwg s PRO 296 Ca -0.05 2.40 0.02 0.00 0.02 0.00 0.00 61.00 63.40 2pwg s PRO 296 Cb -0.13 -3.10 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 2pwg s PRO 296 CO 0.03 -0.54 0.11 1.03 -0.33 0.00 0.00 177.00 177.30 2pwg s ARG 297 N 0.10 1.53 0.39 5.54 1.81 -1.26 -5.06 118.95 122.00 2pwg s ARG 297 Ca 0.64 -1.85 0.03 0.00 -1.72 0.00 0.00 55.73 52.83 2pwg s ARG 297 Cb -0.44 -0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 2pwg s ARG 297 CO 0.40 -0.35 0.10 0.95 -0.68 0.00 0.00 175.30 175.73 2pwg s THR 298 N -3.62 0.79 0.36 0.02 -4.23 -1.26 -5.01 115.64 102.69 2pwg s THR 298 Ca 0.36 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 2pwg s THR 298 Cb 0.07 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.75 2pwg s THR 298 CO 0.15 0.00 1.94 0.25 -0.54 0.00 0.00 174.62 176.42 2pwg h LEU 299 N 1.84 0.67 -0.88 4.79 5.85 -1.88 -0.69 115.31 125.02 2pwg h LEU 299 Ca -0.37 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.46 2pwg h LEU 299 Cb 1.27 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 2pwg h LEU 299 CO 0.61 0.42 0.51 0.00 -0.34 0.00 0.00 178.44 179.65 2pwg h ALA 300 N 1.60 1.29 -0.37 1.25 0.00 -1.82 0.07 119.26 121.27 2pwg h ALA 300 Ca 0.33 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 2pwg h ALA 300 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2pwg h ALA 300 CO -0.12 0.10 -0.39 -0.44 0.00 0.00 0.00 179.25 178.40 2pwg h ASP 301 N 0.82 0.96 0.46 0.00 3.32 -1.48 -2.24 116.42 118.26 2pwg h ASP 301 Ca 0.44 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2pwg h ASP 301 Cb 0.45 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2pwg h ASP 301 CO -0.27 1.23 -0.35 0.15 -1.72 0.00 0.00 179.24 178.28 2pwg h PHE 302 N 0.74 -0.95 -0.37 4.55 3.04 -0.20 -2.21 116.94 121.54 2pwg h PHE 302 Ca 0.06 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.90 2pwg h PHE 302 Cb 0.98 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.83 2pwg h PHE 302 CO 0.06 -0.52 -0.22 0.07 -2.02 0.00 0.00 178.31 175.68 2pwg h ARG 303 N -0.81 0.74 -0.24 1.11 0.11 -1.11 -2.31 114.38 111.88 2pwg h ARG 303 Ca -0.05 -0.29 -0.07 0.00 0.10 0.00 0.00 59.98 59.67 2pwg h ARG 303 Cb 0.69 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 2pwg h ARG 303 CO 0.00 0.89 -0.14 1.96 0.10 0.00 0.00 179.97 182.78 2pwg h GLN 304 N 0.64 0.40 -0.02 0.08 4.20 -1.37 0.18 115.11 119.22 2pwg h GLN 304 Ca 0.09 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2pwg h GLN 304 Cb 0.72 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 2pwg h GLN 304 CO 0.06 0.54 -0.01 1.15 -0.67 0.00 0.00 178.83 179.90 2pwg h THR 305 N 0.37 1.36 -0.87 -0.54 2.02 -1.22 -1.83 112.91 112.20 2pwg h THR 305 Ca 0.07 -1.09 0.09 0.00 0.77 0.00 0.00 66.41 66.25 2pwg h THR 305 Cb 0.48 2.06 -0.06 0.00 -1.74 0.00 0.00 68.15 68.89 2pwg h THR 305 CO 0.03 0.29 0.57 0.40 0.37 0.00 0.00 175.52 177.17 2pwg h ILE 306 N -0.40 0.98 -0.60 3.11 2.04 -1.12 0.26 117.51 121.78 2pwg h ILE 306 Ca 0.00 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 2pwg h ILE 306 Cb 0.48 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2pwg h ILE 306 CO 0.00 0.16 0.27 0.44 0.00 0.00 0.00 178.15 179.02 2pwg h ASP 307 N 0.88 0.80 -0.37 1.72 3.32 -0.46 -0.61 116.42 121.69 2pwg h ASP 307 Ca 0.40 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.14 2pwg h ASP 307 Cb 0.38 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 2pwg h ASP 307 CO -0.17 0.72 -0.42 0.11 -1.72 0.00 0.00 179.24 177.77 2pwg h LYS 308 N 0.82 0.94 -0.18 3.56 1.57 -0.39 -2.03 116.57 120.86 2pwg h LYS 308 Ca 0.20 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2pwg h LYS 308 Cb 0.15 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2pwg h LYS 308 CO -0.02 1.17 0.05 0.28 -0.57 0.00 0.00 179.45 180.36 2pwg h VAL 309 N 0.75 1.19 -0.75 0.50 2.07 -0.81 -2.28 116.25 116.93 2pwg h VAL 309 Ca 0.05 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.01 2pwg h VAL 309 Cb 1.02 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 2pwg h VAL 309 CO 0.10 0.19 0.47 -0.78 0.02 0.00 0.00 177.57 177.57 2pwg h ASP 310 N 0.11 0.76 -0.82 0.57 3.58 -1.10 -2.70 116.42 116.82 2pwg h ASP 310 Ca 0.06 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.54 2pwg h ASP 310 Cb 0.24 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 2pwg h ASP 310 CO -0.00 0.52 0.53 0.00 -2.88 0.00 0.00 179.24 177.41 2pwg h ALA 311 N 1.33 1.08 0.00 -0.78 0.00 -1.14 -2.75 119.26 117.00 2pwg h ALA 311 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2pwg h ALA 311 Cb 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.56 2pwg h ALA 311 CO -0.12 0.35 0.00 0.44 0.00 0.00 0.00 179.25 179.92 2pwg n ILE 312 N -4.58 0.56 0.55 0.00 -6.64 -0.88 -2.02 119.36 106.36 2pwg n ILE 312 Ca 0.10 0.14 0.12 0.00 -1.77 0.00 0.00 62.75 61.35 2pwg n ILE 312 Cb 0.09 -0.84 0.45 0.00 -1.44 0.00 0.00 39.64 37.90 2pwg n ILE 312 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2pwg n ALA 313 N -1.35 2.03 -0.37 -1.28 0.00 -1.04 -4.42 120.51 114.09 2pwg n ALA 313 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2pwg n ALA 313 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2pwg n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwg n GLY 314 N 0.78 0.95 0.10 0.00 0.00 -0.86 0.53 105.19 106.68 2pwg n GLY 314 Ca 0.04 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.53 2pwg n GLY 314 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pwg n GLU 315 N 0.38 0.62 0.00 1.61 2.13 -1.26 -4.29 120.64 119.82 2pwg n GLU 315 Ca 0.00 0.16 0.07 0.00 0.66 0.00 0.00 57.16 58.04 2pwg n GLU 315 Cb 0.00 -1.80 0.03 0.00 0.27 0.00 0.00 31.44 29.94 2pwg n GLU 315 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2pwg n TYR 316 N -2.77 0.00 -3.19 4.31 4.01 -1.24 -5.01 117.16 113.26 2pwg n TYR 316 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.49 2pwg n TYR 316 Cb 0.71 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.77 2pwg n TYR 316 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pwg s GLY 317 N -1.40 1.93 -0.21 2.72 0.00 0.19 -0.96 107.32 109.59 2pwg s GLY 317 Ca 0.14 -1.86 -0.13 0.00 0.00 0.00 0.00 44.72 42.87 2pwg s GLY 317 CO 0.25 -1.65 0.52 0.86 0.00 0.00 0.00 173.10 173.07 2pwg s TRP 318 N -2.55 -0.75 0.22 1.90 -0.11 -1.26 -4.78 118.94 111.61 2pwg s TRP 318 Ca 0.55 1.58 0.06 0.00 1.22 0.00 0.00 56.10 59.50 2pwg s TRP 318 Cb -0.06 0.38 -0.04 0.00 -1.50 0.00 0.00 33.47 32.25 2pwg s TRP 318 CO 0.34 -0.39 0.22 -0.80 -4.62 0.00 0.00 176.95 171.69 2pwg s ASN 319 N 1.32 5.76 0.32 5.86 0.01 -1.26 -1.88 114.94 125.07 2pwg s ASN 319 Ca -0.08 -0.12 0.06 0.00 -0.71 0.00 0.00 52.86 52.01 2pwg s ASN 319 Cb -0.07 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.03 2pwg s ASN 319 CO -0.13 -0.01 0.44 0.42 -1.51 0.00 0.00 177.10 176.31 2pwg s THR 320 N -1.97 4.23 -0.03 1.60 -4.23 -0.66 -0.84 115.64 113.74 2pwg s THR 320 Ca 0.33 -1.01 -0.02 0.00 -1.18 0.00 0.00 61.69 59.80 2pwg s THR 320 Cb -0.09 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.30 2pwg s THR 320 CO 0.26 -0.18 0.08 0.12 -0.54 0.00 0.00 174.62 174.35 2pwg s PHE 321 N -2.15 -0.08 0.13 3.99 5.36 -0.24 -4.69 117.98 120.30 2pwg s PHE 321 Ca 0.43 0.24 -0.20 0.00 -0.96 0.00 0.00 56.93 56.44 2pwg s PHE 321 Cb -0.09 -0.05 0.05 0.00 -0.34 0.00 0.00 43.02 42.59 2pwg s PHE 321 CO 0.31 -0.08 0.51 -0.59 -1.46 0.00 0.00 175.22 173.91 2pwg s PHE 322 N 0.50 -0.39 -0.06 10.12 -0.12 -1.26 -1.05 117.98 125.71 2pwg s PHE 322 Ca -0.04 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 57.03 2pwg s PHE 322 Cb -0.05 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 2pwg s PHE 322 CO -0.02 -0.76 0.36 1.28 -0.05 0.00 0.00 175.22 176.03 2pwg n LEU 323 N -0.19 0.72 -3.55 -1.99 4.77 -1.26 -4.84 117.00 110.66 2pwg n LEU 323 Ca -0.17 -0.84 -0.11 0.00 -0.03 0.00 0.00 56.01 54.86 2pwg n LEU 323 Cb 0.64 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2pwg n LEU 323 CO 0.15 0.18 0.26 -0.83 -1.33 0.00 0.00 177.39 175.82 2pwg s GLY 324 N -0.37 -0.42 0.07 -0.72 0.00 -1.26 -4.18 107.32 100.44 2pwg s GLY 324 Ca 0.01 0.23 -0.13 0.00 0.00 0.00 0.00 44.72 44.83 2pwg s GLY 324 CO 0.01 -0.06 0.61 1.16 0.00 0.00 0.00 173.10 174.82 2pwg n ASN 325 N -0.18 -0.88 0.02 1.64 0.23 -1.26 -4.40 115.26 110.42 2pwg n ASN 325 Ca -0.17 -1.41 0.07 0.00 -0.53 0.00 0.00 54.58 52.55 2pwg n ASN 325 Cb 0.64 1.42 0.31 0.00 -2.08 0.00 0.00 39.78 40.07 2pwg n ASN 325 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2pwg n HIS 326 N -0.43 0.12 -0.28 -2.53 1.44 -1.26 -3.10 115.22 109.18 2pwg n HIS 326 Ca -0.00 0.05 0.07 0.00 -2.01 0.00 0.00 57.72 55.83 2pwg n HIS 326 Cb 0.32 -0.58 0.21 0.00 0.12 0.00 0.00 29.99 30.06 2pwg n HIS 326 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2pwg n ASP 327 N -1.61 3.30 -4.05 4.39 8.00 -1.26 -4.78 116.55 120.53 2pwg n ASP 327 Ca 0.03 -2.07 -0.10 0.00 0.71 0.00 0.00 54.79 53.37 2pwg n ASP 327 Cb 0.16 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 40.85 2pwg n ASP 327 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2pwg s ASN 328 N -1.04 0.15 0.95 -2.24 0.01 -1.18 -4.53 114.94 107.06 2pwg s ASN 328 Ca 0.31 -1.04 -0.11 0.00 -0.71 0.00 0.00 52.86 51.31 2pwg s ASN 328 Cb 0.17 0.38 0.17 0.00 0.41 0.00 0.00 41.25 42.38 2pwg s ASN 328 CO 0.20 -0.83 1.10 -2.16 -1.51 0.00 0.00 177.10 173.90 2pwg s PRO 329 N -4.01 0.74 0.21 -0.60 0.04 -1.26 -3.94 135.00 126.18 2pwg s PRO 329 Ca 0.21 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 2pwg s PRO 329 Cb 0.05 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 2pwg s PRO 329 CO 0.02 -2.71 1.61 1.03 0.04 0.00 0.00 177.00 176.99 2pwg s ARG 330 N -4.68 4.17 0.24 4.56 1.81 -1.26 -4.78 118.95 119.01 2pwg s ARG 330 Ca 0.66 2.48 -0.10 0.00 -1.72 0.00 0.00 55.73 57.05 2pwg s ARG 330 Cb -0.22 -3.10 0.35 0.00 -0.45 0.00 0.00 34.95 31.54 2pwg s ARG 330 CO 0.59 -0.64 1.60 0.00 -0.68 0.00 0.00 175.30 176.17 2pwg h ALA 331 N 6.21 0.56 -0.55 2.13 0.00 -1.85 0.16 119.26 125.91 2pwg h ALA 331 Ca -0.44 0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2pwg h ALA 331 Cb 1.21 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2pwg h ALA 331 CO 0.89 -0.41 0.07 -0.24 0.00 0.00 0.00 179.25 179.56 2pwg h VAL 332 N 0.01 1.24 -0.23 0.00 3.04 -1.92 0.16 116.25 118.56 2pwg h VAL 332 Ca 0.39 -0.96 -0.17 0.00 -1.01 0.00 0.00 66.70 64.95 2pwg h VAL 332 Cb 0.61 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 30.63 2pwg h VAL 332 CO -0.82 0.35 -0.54 0.28 -1.01 0.00 0.00 177.57 175.83 2pwg h SER 333 N 0.84 0.75 0.04 3.17 0.02 -1.39 0.11 113.55 117.10 2pwg h SER 333 Ca 0.17 -0.40 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2pwg h SER 333 Cb 0.40 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2pwg h SER 333 CO 0.01 1.14 -0.02 -0.74 -1.14 0.00 0.00 176.83 176.08 2pwg h HIS 334 N 0.52 -0.05 0.00 3.45 6.17 -0.51 -3.40 115.15 121.33 2pwg h HIS 334 Ca 0.01 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2pwg h HIS 334 Cb 1.11 0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.05 2pwg h HIS 334 CO 0.05 0.61 -1.64 1.19 0.71 0.00 0.00 177.93 178.85 2pwg n PHE 335 N -4.75 0.00 -0.01 5.26 3.72 0.54 -5.02 117.46 117.21 2pwg n PHE 335 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2pwg n PHE 335 Cb 0.33 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2pwg n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2pwg n GLY 336 N 1.46 3.40 2.66 1.37 0.00 0.36 -5.02 105.19 109.41 2pwg n GLY 336 Ca -0.02 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.03 2pwg n GLY 336 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwg s ASP 337 N -0.10 3.19 0.00 1.61 -1.08 -1.01 -4.78 116.67 114.50 2pwg s ASP 337 Ca 0.00 -1.07 0.07 0.00 -0.52 0.00 0.00 52.55 51.03 2pwg s ASP 337 Cb 0.00 -0.51 0.26 0.00 -1.46 0.00 0.00 42.92 41.21 2pwg s ASP 337 CO 0.00 -0.37 1.20 -0.90 0.52 0.00 0.00 175.17 175.61 2pwg n ASP 338 N 5.11 0.95 -4.76 -0.34 5.68 -1.25 -2.18 116.55 119.76 2pwg n ASP 338 Ca -0.06 -1.94 -0.39 0.00 -0.50 0.00 0.00 54.79 51.90 2pwg n ASP 338 Cb 0.45 -0.11 0.02 0.00 -1.14 0.00 0.00 41.12 40.34 2pwg n ASP 338 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2pwg s ARG 339 N -1.78 3.52 0.29 0.11 0.52 -1.26 -4.54 118.95 115.81 2pwg s ARG 339 Ca 0.14 2.16 -0.01 0.00 -0.52 0.00 0.00 55.73 57.51 2pwg s ARG 339 Cb 0.07 -2.45 0.66 0.00 0.52 0.00 0.00 34.95 33.75 2pwg s ARG 339 CO 0.10 -0.86 1.51 -2.30 0.02 0.00 0.00 175.30 173.77 2pwg n PRO 340 N -0.55 -0.08 0.05 3.54 -0.02 -1.26 -0.73 135.00 135.95 2pwg n PRO 340 Ca 0.07 1.47 0.13 0.00 -2.02 0.00 0.00 63.50 63.15 2pwg n PRO 340 Cb 0.45 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.14 2pwg n PRO 340 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pwg n GLN 341 N -5.48 0.10 0.00 -0.52 0.00 -1.26 -3.90 117.38 106.31 2pwg n GLN 341 Ca 0.21 0.13 0.00 0.00 0.00 0.00 0.00 57.00 57.34 2pwg n GLN 341 Cb 0.67 -1.63 -0.00 0.00 0.00 0.00 0.00 30.24 29.28 2pwg n GLN 341 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 2pwg n TRP 342 N -1.81 0.00 -0.07 2.61 7.02 0.06 -4.82 117.44 120.43 2pwg n TRP 342 Ca 0.06 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.45 2pwg n TRP 342 Cb 0.34 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.21 2pwg n TRP 342 CO 0.00 0.00 0.00 -0.09 -2.02 0.00 0.00 177.69 175.58 2pwg h ARG 343 N 0.00 -0.27 -0.29 -0.99 2.43 -0.43 -0.61 114.38 114.22 2pwg h ARG 343 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2pwg h ARG 343 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2pwg h ARG 343 CO 0.00 -0.18 0.06 0.93 -1.51 0.00 0.00 179.97 179.26 2pwg h GLU 344 N -0.28 0.48 0.02 0.20 5.08 -1.86 -0.18 114.58 118.03 2pwg h GLU 344 Ca 0.14 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2pwg h GLU 344 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pwg h GLU 344 CO -0.44 0.57 -0.01 0.00 -1.00 0.00 0.00 179.01 178.13 2pwg h ALA 345 N 0.88 -0.02 -0.20 3.43 0.00 -1.82 0.24 119.26 121.77 2pwg h ALA 345 Ca 0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2pwg h ALA 345 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2pwg h ALA 345 CO 0.00 -0.50 -0.34 0.66 0.00 0.00 0.00 179.25 179.08 2pwg h SER 346 N -0.05 0.44 -0.44 0.00 4.64 -1.13 -1.46 113.55 115.55 2pwg h SER 346 Ca -0.00 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.13 2pwg h SER 346 Cb 0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2pwg h SER 346 CO 0.00 0.75 0.21 0.00 -0.87 0.00 0.00 176.83 176.92 2pwg h ALA 347 N 1.28 0.56 -0.64 5.18 0.00 -0.72 0.11 119.26 125.04 2pwg h ALA 347 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2pwg h ALA 347 Cb 0.77 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2pwg h ALA 347 CO 0.06 0.13 0.31 0.87 0.00 0.00 0.00 179.25 180.62 2pwg h LYS 348 N 0.57 0.93 -0.60 0.00 1.57 -0.70 -1.29 116.57 117.05 2pwg h LYS 348 Ca 0.15 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2pwg h LYS 348 Cb 0.12 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2pwg h LYS 348 CO -0.02 0.74 0.39 0.00 -0.57 0.00 0.00 179.45 179.99 2pwg h ALA 349 N 1.14 0.76 -0.34 3.86 0.00 -0.84 -1.40 119.26 122.43 2pwg h ALA 349 Ca 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2pwg h ALA 349 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2pwg h ALA 349 CO -0.03 0.16 -0.06 -0.07 0.00 0.00 0.00 179.25 179.26 2pwg h LEU 350 N 0.78 0.54 -0.94 0.00 3.38 -0.45 -2.35 115.31 116.27 2pwg h LEU 350 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2pwg h LEU 350 Cb -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2pwg h LEU 350 CO -0.07 0.65 0.26 0.00 0.09 0.00 0.00 178.44 179.37 2pwg h ALA 351 N 1.41 1.15 -0.75 1.53 0.00 -0.49 -0.72 119.26 121.40 2pwg h ALA 351 Ca 0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2pwg h ALA 351 Cb 0.43 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2pwg h ALA 351 CO 0.02 0.60 0.33 1.15 0.00 0.00 0.00 179.25 181.36 2pwg h THR 352 N 1.01 1.25 0.59 0.00 2.02 -0.77 -1.84 112.91 115.16 2pwg h THR 352 Ca 0.23 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 2pwg h THR 352 Cb 0.22 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 66.97 2pwg h THR 352 CO -0.02 0.31 -0.28 0.58 0.37 0.00 0.00 175.52 176.48 2pwg h VAL 353 N 1.07 0.37 -0.77 3.16 2.07 -1.01 -2.86 116.25 118.28 2pwg h VAL 353 Ca 0.26 -0.20 0.16 0.00 0.82 0.00 0.00 66.70 67.74 2pwg h VAL 353 Cb 0.17 0.44 -0.11 0.00 -1.52 0.00 0.00 31.29 30.27 2pwg h VAL 353 CO -0.03 0.03 0.26 0.74 0.02 0.00 0.00 177.57 178.59 2pwg h THR 354 N -0.93 0.55 -0.08 2.57 2.02 -1.01 -1.95 112.91 114.08 2pwg h THR 354 Ca -0.08 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2pwg h THR 354 Cb 0.65 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2pwg h THR 354 CO 0.13 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.27 2pwg n LEU 355 N -5.08 1.08 0.00 2.58 4.77 -0.71 -3.61 117.00 116.03 2pwg n LEU 355 Ca 0.16 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 2pwg n LEU 355 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2pwg n LEU 355 CO 0.14 0.21 0.46 0.35 -1.33 0.00 0.00 177.39 177.22 2pwg n THR 356 N -0.10 0.83 -2.81 -5.08 -2.24 -0.76 -4.80 114.28 99.32 2pwg n THR 356 Ca 0.17 -0.85 -0.32 0.00 -2.27 0.00 0.00 64.05 60.77 2pwg n THR 356 Cb 0.25 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.01 2pwg n THR 356 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwg s GLN 357 N -0.83 4.09 -0.19 -0.78 -1.52 -1.05 -4.97 119.66 114.41 2pwg s GLN 357 Ca 0.00 0.93 -0.29 0.00 -1.95 0.00 0.00 55.36 54.05 2pwg s GLN 357 Cb 0.00 -2.24 0.00 0.00 -0.22 0.00 0.00 33.01 30.55 2pwg s GLN 357 CO 0.00 -0.03 1.07 0.50 -0.25 0.00 0.00 175.29 176.58 2pwg s ARG 358 N -3.36 4.29 0.00 2.91 3.52 -1.26 -4.78 118.95 120.27 2pwg s ARG 358 Ca 0.59 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.61 2pwg s ARG 358 Cb -0.10 -3.64 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2pwg s ARG 358 CO 0.19 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 2pwg n GLY 359 N 3.32 0.92 3.50 8.12 0.00 -1.25 -4.83 105.19 114.97 2pwg n GLY 359 Ca 0.12 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2pwg n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwg s THR 360 N -1.37 5.26 0.26 2.61 2.01 -0.02 -4.85 115.64 119.53 2pwg s THR 360 Ca 0.00 -0.36 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2pwg s THR 360 Cb 0.00 -3.82 -0.09 0.00 0.01 0.00 0.00 72.50 68.60 2pwg s THR 360 CO 0.00 -0.14 1.16 -2.16 -0.69 0.00 0.00 174.62 172.79 2pwg s PRO 361 N 1.75 4.56 -0.17 4.92 0.04 -1.26 -1.08 135.00 143.75 2pwg s PRO 361 Ca 0.06 1.89 0.01 0.00 0.04 0.00 0.00 61.00 63.00 2pwg s PRO 361 Cb -0.18 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.20 2pwg s PRO 361 CO 0.11 0.07 -0.13 -0.06 0.04 0.00 0.00 177.00 177.02 2pwg s PHE 362 N -0.83 2.36 -0.27 0.56 0.40 -0.22 -0.49 117.98 119.49 2pwg s PHE 362 Ca 0.48 -1.43 -0.11 0.00 -0.60 0.00 0.00 56.93 55.26 2pwg s PHE 362 Cb -0.33 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 2pwg s PHE 362 CO 0.41 -0.72 0.20 0.42 0.70 0.00 0.00 175.22 176.24 2pwg s ILE 363 N 1.42 5.31 0.10 0.64 1.01 -0.39 -4.47 121.20 124.82 2pwg s ILE 363 Ca 0.02 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.60 2pwg s ILE 363 Cb -0.14 -3.54 -0.06 0.00 0.01 0.00 0.00 42.46 38.73 2pwg s ILE 363 CO -0.10 0.26 0.90 0.12 0.00 0.00 0.00 174.94 176.12 2pwg s PHE 364 N 1.66 3.81 -0.08 3.97 5.36 -1.26 -0.39 117.98 131.04 2pwg s PHE 364 Ca 0.08 1.72 -0.40 0.00 -0.96 0.00 0.00 56.93 57.37 2pwg s PHE 364 Cb -0.16 -2.98 -0.18 0.00 -0.34 0.00 0.00 43.02 39.36 2pwg s PHE 364 CO 0.10 0.25 1.32 0.00 -1.46 0.00 0.00 175.22 175.44 2pwg n GLN 365 N 2.66 0.53 0.00 10.12 10.64 -0.77 -1.52 117.38 139.03 2pwg n GLN 365 Ca 0.00 0.19 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 2pwg n GLN 365 Cb 0.49 -1.76 0.00 0.00 -0.86 0.00 0.00 30.24 28.11 2pwg n GLN 365 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2pwg n GLY 366 N 2.55 3.23 0.23 2.61 0.00 -1.26 -4.87 105.19 107.68 2pwg n GLY 366 Ca 0.22 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.40 2pwg n GLY 366 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pwg h ASP 367 N 0.00 0.00 0.77 1.61 3.32 -1.62 -0.17 116.42 120.34 2pwg h ASP 367 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2pwg h ASP 367 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2pwg h ASP 367 CO 0.00 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 175.68 2pwg n GLU 368 N -2.83 0.02 -0.01 3.56 0.00 -1.26 -2.68 120.64 117.44 2pwg n GLU 368 Ca 0.01 0.15 0.09 0.00 0.00 0.00 0.00 57.16 57.41 2pwg n GLU 368 Cb 0.29 -1.53 -0.13 0.00 0.00 0.00 0.00 31.44 30.07 2pwg n GLU 368 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2pwg n LEU 369 N -1.57 0.21 0.00 -1.84 4.77 -0.11 -1.82 117.00 116.64 2pwg n LEU 369 Ca 0.05 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2pwg n LEU 369 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2pwg n LEU 369 CO 0.20 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 2pwg n GLY 370 N 1.48 1.36 3.75 -0.72 0.00 -1.01 -4.79 105.19 105.25 2pwg n GLY 370 Ca -0.02 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 2pwg n GLY 370 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2pwg s MET 371 N -2.11 3.04 0.46 1.61 -1.94 -1.07 -4.99 119.30 114.29 2pwg s MET 371 Ca 0.00 1.90 0.01 0.00 -1.71 0.00 0.00 55.69 55.89 2pwg s MET 371 Cb 0.00 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.83 2pwg s MET 371 CO 0.00 -1.17 0.06 0.25 -0.01 0.00 0.00 175.02 174.15 2pwg n THR 372 N -1.43 0.00 -0.92 2.05 -2.24 -1.26 -4.52 114.28 105.97 2pwg n THR 372 Ca 0.13 -2.09 -0.29 0.00 -2.27 0.00 0.00 64.05 59.53 2pwg n THR 372 Cb 0.49 0.34 0.18 0.00 -2.10 0.00 0.00 70.33 69.24 2pwg n THR 372 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2pwg s ASN 373 N -3.53 2.52 -0.04 3.42 0.01 -1.26 -4.82 114.94 111.23 2pwg s ASN 373 Ca 0.05 1.58 -0.02 0.00 -0.71 0.00 0.00 52.86 53.75 2pwg s ASN 373 Cb -0.00 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 2pwg s ASN 373 CO 0.03 -3.25 0.10 -0.47 -1.51 0.00 0.00 177.10 172.00 2pwg s TYR 374 N -2.75 3.38 -1.36 2.20 5.04 -1.26 -5.03 117.35 117.57 2pwg s TYR 374 Ca 0.66 0.30 -0.16 0.00 -2.44 0.00 0.00 57.07 55.42 2pwg s TYR 374 Cb -0.21 -1.81 0.06 0.00 0.35 0.00 0.00 41.96 40.35 2pwg s TYR 374 CO 0.59 0.60 1.94 -0.35 -1.34 0.00 0.00 175.55 176.99 2pwg n PRO 375 N 1.48 3.04 -1.89 4.97 -0.04 -1.26 -4.98 135.00 136.33 2pwg n PRO 375 Ca -0.15 -2.99 -0.41 0.00 -0.04 0.00 0.00 63.50 59.91 2pwg n PRO 375 Cb 0.53 -3.41 -0.01 0.00 -0.04 0.00 0.00 33.50 30.57 2pwg n PRO 375 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2pwg s PHE 376 N 3.85 2.70 -0.09 0.54 0.08 -1.26 -4.93 117.98 118.88 2pwg s PHE 376 Ca 0.51 1.25 0.06 0.00 0.12 0.00 0.00 56.93 58.86 2pwg s PHE 376 Cb 0.08 -3.92 -0.09 0.00 -0.57 0.00 0.00 43.02 38.52 2pwg s PHE 376 CO 0.01 -2.67 -0.00 1.63 -0.10 0.00 0.00 175.22 174.09 2pwg n LYS 377 N 0.49 2.08 -4.23 0.44 4.76 -1.26 -5.07 118.16 115.37 2pwg n LYS 377 Ca 0.01 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.33 2pwg n LYS 377 Cb 0.40 -1.21 -0.10 0.00 -1.84 0.00 0.00 35.03 32.28 2pwg n LYS 377 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2pwg s THR 378 N -2.20 0.30 0.36 -0.18 -4.23 -1.26 -5.01 115.64 103.42 2pwg s THR 378 Ca -0.06 -1.98 0.25 0.00 -1.18 0.00 0.00 61.69 58.72 2pwg s THR 378 Cb 0.03 -2.40 0.27 0.00 1.34 0.00 0.00 72.50 71.73 2pwg s THR 378 CO 0.31 -0.16 2.00 -0.07 -0.54 0.00 0.00 174.62 176.17 2pwg h LEU 379 N 2.60 0.00 -0.13 4.79 4.07 -1.97 -1.73 115.31 122.95 2pwg h LEU 379 Ca -0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2pwg h LEU 379 Cb 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 2pwg h LEU 379 CO 0.58 0.16 0.00 0.00 -1.08 0.00 0.00 178.44 178.10 2pwg n GLN 380 N -3.63 0.05 0.00 1.13 3.00 -1.26 -2.31 117.38 114.36 2pwg n GLN 380 Ca -0.01 0.24 0.15 0.00 -0.01 0.00 0.00 57.00 57.36 2pwg n GLN 380 Cb 0.29 -1.58 0.73 0.00 0.00 0.00 0.00 30.24 29.67 2pwg n GLN 380 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pwg n ASP 381 N -1.68 0.00 -4.78 1.08 8.00 -0.65 -4.74 116.55 113.78 2pwg n ASP 381 Ca 0.04 -0.03 -0.36 0.00 0.71 0.00 0.00 54.79 55.15 2pwg n ASP 381 Cb 0.23 -0.32 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 2pwg n ASP 381 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pwg s PHE 382 N -2.65 3.50 -0.12 1.24 0.40 -0.98 -4.94 117.98 114.43 2pwg s PHE 382 Ca 0.26 0.47 0.17 0.00 -0.60 0.00 0.00 56.93 57.23 2pwg s PHE 382 Cb 0.20 -2.13 -0.19 0.00 0.51 0.00 0.00 43.02 41.41 2pwg s PHE 382 CO 0.47 0.44 0.61 -3.47 0.70 0.00 0.00 175.22 173.97 2pwg n ASP 383 N 2.94 0.57 -4.65 1.36 2.03 -1.26 -4.98 116.55 112.56 2pwg n ASP 383 Ca -0.17 0.25 -0.50 0.00 0.52 0.00 0.00 54.79 54.90 2pwg n ASP 383 Cb 0.53 0.55 -0.05 0.00 -0.72 0.00 0.00 41.12 41.43 2pwg n ASP 383 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2pwg n ASP 384 N -2.79 2.54 0.24 1.67 -0.08 -1.26 -4.88 116.55 111.99 2pwg n ASP 384 Ca -0.14 1.08 0.08 0.00 -1.51 0.00 0.00 54.79 54.30 2pwg n ASP 384 Cb 0.89 -1.30 0.62 0.00 2.34 0.00 0.00 41.12 43.67 2pwg n ASP 384 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2pwg h ILE 385 N 4.01 0.92 -0.32 5.18 2.10 -1.94 -2.37 117.51 125.09 2pwg h ILE 385 Ca -0.47 -0.47 -0.06 0.00 1.08 0.00 0.00 64.86 64.95 2pwg h ILE 385 Cb 1.29 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 38.27 2pwg h ILE 385 CO 0.87 0.13 -0.06 -0.08 -1.08 0.00 0.00 178.15 177.93 2pwg h GLU 386 N 0.00 0.52 -0.35 2.19 4.81 -1.90 -1.34 114.58 118.51 2pwg h GLU 386 Ca -0.00 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 2pwg h GLU 386 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2pwg h GLU 386 CO 0.02 0.59 -0.42 0.28 -0.73 0.00 0.00 179.01 178.75 2pwg h VAL 387 N 0.49 1.28 -0.90 0.32 2.07 -1.81 -1.37 116.25 116.33 2pwg h VAL 387 Ca 0.10 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.03 2pwg h VAL 387 Cb 0.41 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 2pwg h VAL 387 CO 0.02 0.53 0.57 0.11 0.02 0.00 0.00 177.57 178.82 2pwg h LYS 388 N 0.71 1.21 -0.58 1.57 1.79 -1.45 -0.99 116.57 118.83 2pwg h LYS 388 Ca 0.05 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2pwg h LYS 388 Cb 1.00 -0.26 -0.04 0.00 -1.58 0.00 0.00 32.23 31.35 2pwg h LYS 388 CO 0.10 0.82 0.33 0.78 -1.08 0.00 0.00 179.45 180.40 2pwg h GLY 389 N 1.23 0.82 1.30 3.86 0.00 -0.81 -0.93 103.07 108.55 2pwg h GLY 389 Ca 0.33 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 2pwg h GLY 389 CO -0.07 0.18 0.22 0.74 0.00 0.00 0.00 176.54 177.62 2pwg h PHE 390 N 0.64 0.91 0.01 5.60 0.04 -0.27 0.11 116.94 123.97 2pwg h PHE 390 Ca 0.24 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 2pwg h PHE 390 Cb 0.09 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 37.96 2pwg h PHE 390 CO -0.07 0.71 -0.00 0.35 -0.60 0.00 0.00 178.31 178.69 2pwg h PHE 391 N 0.88 -0.01 -0.36 -0.55 3.57 -0.58 0.48 116.94 120.38 2pwg h PHE 391 Ca 0.20 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2pwg h PHE 391 Cb 0.20 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2pwg h PHE 391 CO 0.01 0.13 0.18 0.37 -2.23 0.00 0.00 178.31 176.77 2pwg h GLN 392 N -0.15 0.36 0.00 1.11 4.15 -0.84 0.17 115.11 119.91 2pwg h GLN 392 Ca -0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 2pwg h GLN 392 Cb 0.14 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2pwg h GLN 392 CO 0.00 0.24 -0.58 -0.44 -1.93 0.00 0.00 178.83 176.11 2pwg h ASP 393 N 0.37 0.00 0.00 -0.69 3.32 -0.56 -3.36 116.42 115.49 2pwg h ASP 393 Ca 0.15 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2pwg h ASP 393 Cb 0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2pwg h ASP 393 CO -0.10 0.55 -1.07 -1.22 -1.72 0.00 0.00 179.24 175.69 2pwg n TYR 394 N -3.23 0.00 -0.05 4.55 4.02 0.17 -4.53 117.16 118.10 2pwg n TYR 394 Ca 0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.69 2pwg n TYR 394 Cb 0.76 -0.05 -0.13 0.00 -0.02 0.00 0.00 39.34 39.91 2pwg n TYR 394 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2pwg h VAL 395 N 0.00 0.95 0.00 -0.72 2.07 -0.74 0.11 116.25 117.92 2pwg h VAL 395 Ca -0.03 -2.28 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 2pwg h VAL 395 Cb 1.03 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 2pwg h VAL 395 CO 0.00 0.55 -0.21 -0.33 0.02 0.00 0.00 177.57 177.60 2pwg h GLU 396 N -0.62 0.00 -0.00 1.57 5.08 -1.26 -0.55 114.58 118.80 2pwg h GLU 396 Ca -0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 2pwg h GLU 396 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 2pwg h GLU 396 CO -0.07 0.21 -0.18 0.25 -1.00 0.00 0.00 179.01 178.21 2pwg n THR 397 N -3.68 0.00 -1.10 1.13 -2.24 -1.26 -4.93 114.28 102.19 2pwg n THR 397 Ca -0.01 -0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2pwg n THR 397 Cb 0.33 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.55 2pwg n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 398 N 1.34 0.65 0.20 3.38 0.00 -0.22 -4.90 105.19 105.65 2pwg n GLY 398 Ca 0.12 -0.45 0.14 0.00 0.00 0.00 0.00 46.02 45.83 2pwg n GLY 398 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pwg h LYS 399 N 0.30 0.00 -3.14 1.61 1.57 -1.09 -3.46 116.57 112.36 2pwg h LYS 399 Ca -0.07 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2pwg h LYS 399 Cb 0.36 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.55 2pwg h LYS 399 CO 0.11 0.00 0.11 0.00 -0.57 0.00 0.00 179.45 179.10 2pwg s ALA 400 N -3.35 -1.35 0.49 3.86 0.00 -0.20 -5.01 121.76 116.19 2pwg s ALA 400 Ca 0.05 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 2pwg s ALA 400 Cb 0.08 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 2pwg s ALA 400 CO 0.58 -0.74 0.73 0.95 0.00 0.00 0.00 175.76 177.28 2pwg s THR 401 N -3.78 3.89 0.32 0.00 -4.23 -1.26 -4.13 115.64 106.45 2pwg s THR 401 Ca 0.02 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2pwg s THR 401 Cb -0.00 -3.47 0.23 0.00 1.34 0.00 0.00 72.50 70.60 2pwg s THR 401 CO -0.12 -0.37 1.95 0.00 -0.54 0.00 0.00 174.62 175.54 2pwg h ALA 402 N 0.24 1.42 -0.60 3.99 0.00 -1.96 -1.88 119.26 120.47 2pwg h ALA 402 Ca -0.46 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2pwg h ALA 402 Cb 1.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2pwg h ALA 402 CO 0.58 0.48 -0.02 1.05 0.00 0.00 0.00 179.25 181.35 2pwg h GLU 403 N 0.89 1.07 -0.39 0.00 -0.00 -1.99 -0.81 114.58 113.35 2pwg h GLU 403 Ca 0.23 -0.35 -0.01 0.00 -0.00 0.00 0.00 59.36 59.24 2pwg h GLU 403 Cb 0.01 -0.09 -0.02 0.00 -0.00 0.00 0.00 28.75 28.65 2pwg h GLU 403 CO -0.04 1.05 0.21 0.93 -0.00 0.00 0.00 179.01 181.16 2pwg h GLU 404 N 0.97 0.54 -0.14 1.06 5.08 -1.81 0.32 114.58 120.60 2pwg h GLU 404 Ca 0.17 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2pwg h GLU 404 Cb 0.58 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2pwg h GLU 404 CO 0.03 0.44 0.01 1.25 -1.00 0.00 0.00 179.01 179.75 2pwg h LEU 405 N 0.50 -0.02 -0.12 1.33 5.85 -1.07 -2.19 115.31 119.59 2pwg h LEU 405 Ca 0.14 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2pwg h LEU 405 Cb 0.06 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2pwg h LEU 405 CO -0.02 0.01 -0.06 0.25 -0.34 0.00 0.00 178.44 178.28 2pwg h LEU 406 N 0.07 -0.21 -0.30 2.25 5.85 -0.91 0.12 115.31 122.18 2pwg h LEU 406 Ca 0.06 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2pwg h LEU 406 Cb 0.07 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 2pwg h LEU 406 CO -0.10 -0.09 -0.18 0.74 -0.34 0.00 0.00 178.44 178.48 2pwg h THR 407 N -0.06 0.49 0.10 1.05 2.02 -0.73 -2.12 112.91 113.66 2pwg h THR 407 Ca 0.07 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 2pwg h THR 407 Cb 0.16 0.49 0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2pwg h THR 407 CO -0.16 0.00 -0.75 0.78 0.37 0.00 0.00 175.52 175.75 2pwg h ASN 408 N -0.14 0.49 0.97 4.18 2.35 -1.26 -3.33 115.58 118.83 2pwg h ASN 408 Ca 0.16 -0.90 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 2pwg h ASN 408 Cb 0.38 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2pwg h ASN 408 CO -0.39 1.34 0.00 1.62 -1.65 0.00 0.00 177.43 178.36 2pwg h VAL 409 N -0.29 0.00 0.00 2.81 3.04 -0.79 -2.39 116.25 118.63 2pwg h VAL 409 Ca -0.12 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.11 2pwg h VAL 409 Cb 1.55 1.36 -0.00 0.00 -2.01 0.00 0.00 31.29 32.18 2pwg h VAL 409 CO 0.14 0.00 -0.10 0.00 -1.01 0.00 0.00 177.57 176.60 2pwg h ALA 410 N 2.09 1.37 0.00 3.17 0.00 -1.49 0.29 119.26 124.69 2pwg h ALA 410 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pwg h ALA 410 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pwg h ALA 410 CO 0.00 0.13 -0.95 1.28 0.00 0.00 0.00 179.25 179.71 2pwg n LEU 411 N -3.74 0.72 -0.00 0.00 4.77 -0.90 -4.47 117.00 113.37 2pwg n LEU 411 Ca -0.02 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 55.75 2pwg n LEU 411 Cb 0.21 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2pwg n LEU 411 CO 0.30 0.15 -0.47 0.35 -1.33 0.00 0.00 177.39 176.39 2pwg n THR 412 N -1.67 0.00 -1.62 -5.08 -2.24 -0.94 -4.70 114.28 98.03 2pwg n THR 412 Ca 0.03 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 2pwg n THR 412 Cb 0.37 0.51 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 2pwg n THR 412 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2pwg n SER 413 N -1.52 1.34 0.25 3.42 2.88 0.96 -4.19 113.62 116.76 2pwg n SER 413 Ca -0.00 1.00 0.14 0.00 -1.33 0.00 0.00 58.87 58.67 2pwg n SER 413 Cb 0.05 -1.38 0.58 0.00 -0.75 0.00 0.00 64.21 62.71 2pwg n SER 413 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2pwg h ARG 414 N 1.41 0.00 0.00 -1.46 3.08 -1.86 -2.83 114.38 112.72 2pwg h ARG 414 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2pwg h ARG 414 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2pwg h ARG 414 CO 0.56 0.11 0.00 -0.44 -1.07 0.00 0.00 179.97 179.13 2pwg h ASP 415 N 0.00 0.00 -0.24 7.04 3.32 -1.90 -2.10 116.42 122.54 2pwg h ASP 415 Ca -0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2pwg h ASP 415 Cb 0.62 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 2pwg h ASP 415 CO 0.01 0.00 0.16 0.78 -1.72 0.00 0.00 179.24 178.48 2pwg h ASN 416 N 0.00 0.21 0.24 6.45 2.35 -1.78 -1.06 115.58 121.98 2pwg h ASN 416 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pwg h ASN 416 Cb 0.38 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2pwg h ASN 416 CO 0.00 0.14 -0.31 0.00 -1.65 0.00 0.00 177.43 175.61 2pwg n ALA 417 N -2.52 3.20 0.33 -0.83 0.00 -0.79 -4.27 120.51 115.63 2pwg n ALA 417 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.12 2pwg n ALA 417 Cb 0.14 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.64 2pwg n ALA 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pwg n ARG 418 N -0.71 2.07 -2.48 0.00 1.74 -0.41 -4.89 116.66 112.00 2pwg n ARG 418 Ca 0.11 -1.94 -0.38 0.00 -0.77 0.00 0.00 57.85 54.87 2pwg n ARG 418 Cb 0.36 -1.39 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 2pwg n ARG 418 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2pwg s THR 419 N -1.32 3.54 0.06 0.55 -4.23 -1.21 -4.78 115.64 108.25 2pwg s THR 419 Ca 0.29 1.34 -0.34 0.00 -1.18 0.00 0.00 61.69 61.80 2pwg s THR 419 Cb 0.17 -3.77 -0.18 0.00 1.34 0.00 0.00 72.50 70.07 2pwg s THR 419 CO 0.24 0.16 0.83 -2.65 -0.54 0.00 0.00 174.62 172.66 2pwg n PRO 420 N 0.45 0.00 -1.75 3.99 -0.02 -1.26 -4.88 135.00 131.52 2pwg n PRO 420 Ca 0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.09 2pwg n PRO 420 Cb 0.47 -1.24 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 2pwg n PRO 420 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2pwg s PHE 421 N -0.30 2.74 -0.85 6.00 2.19 -0.48 -4.79 117.98 122.49 2pwg s PHE 421 Ca 0.76 0.71 -0.18 0.00 0.33 0.00 0.00 56.93 58.55 2pwg s PHE 421 Cb -1.08 -4.10 0.14 0.00 -1.31 0.00 0.00 43.02 36.67 2pwg s PHE 421 CO 0.53 -3.76 1.00 -0.65 1.83 0.00 0.00 175.22 174.17 2pwg s GLN 422 N -0.33 3.51 0.12 10.12 -0.21 -1.26 -4.50 119.66 127.10 2pwg s GLN 422 Ca 0.65 -1.78 -0.13 0.00 0.02 0.00 0.00 55.36 54.12 2pwg s GLN 422 Cb -0.49 -4.70 -0.10 0.00 1.00 0.00 0.00 33.01 28.72 2pwg s GLN 422 CO 0.47 -1.66 1.39 -1.49 -2.12 0.00 0.00 175.29 171.88 2pwg h TRP 423 N 8.72 1.05 -1.31 0.91 4.06 -1.57 -0.70 115.95 127.11 2pwg h TRP 423 Ca 0.07 -0.38 0.00 0.00 2.06 0.00 0.00 58.89 60.64 2pwg h TRP 423 Cb 1.04 -0.20 0.00 0.00 -1.00 0.00 0.00 29.16 29.00 2pwg h TRP 423 CO 1.09 1.20 0.00 -0.40 -3.56 0.00 0.00 178.44 176.77 2pwg n ASP 424 N -4.05 0.00 -1.73 -3.49 5.68 -1.00 -0.46 116.55 111.49 2pwg n ASP 424 Ca -0.05 -0.44 -0.12 0.00 -0.50 0.00 0.00 54.79 53.69 2pwg n ASP 424 Cb 0.61 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.81 2pwg n ASP 424 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2pwg n ASP 425 N -0.38 3.54 -4.39 -1.12 5.68 -1.26 -4.21 116.55 114.41 2pwg n ASP 425 Ca 0.00 -3.55 -0.26 0.00 -0.50 0.00 0.00 54.79 50.48 2pwg n ASP 425 Cb 0.00 -0.73 0.15 0.00 -1.14 0.00 0.00 41.12 39.40 2pwg n ASP 425 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2pwg n SER 426 N -0.90 0.96 -4.58 -1.12 3.41 -1.26 -4.88 113.62 105.25 2pwg n SER 426 Ca 0.45 -1.94 -0.49 0.00 -0.26 0.00 0.00 58.87 56.62 2pwg n SER 426 Cb 1.35 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 64.47 2pwg n SER 426 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwg n ALA 427 N -3.23 -0.85 -3.95 7.33 0.00 -1.26 -1.22 120.51 117.33 2pwg n ALA 427 Ca -0.19 0.47 -0.28 0.00 0.00 0.00 0.00 53.44 53.44 2pwg n ALA 427 Cb 0.60 -2.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 2pwg n ALA 427 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2pwg n ASN 428 N 2.03 -2.00 -3.67 0.00 3.02 -1.26 -1.18 115.26 112.19 2pwg n ASN 428 Ca 0.15 -0.92 -0.25 0.00 -0.03 0.00 0.00 54.58 53.53 2pwg n ASN 428 Cb 0.24 -3.37 -0.04 0.00 -0.61 0.00 0.00 39.78 36.00 2pwg n ASN 428 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwg n ALA 429 N -4.43 -1.12 -1.27 5.41 0.00 -0.36 -0.34 120.51 118.40 2pwg n ALA 429 Ca -0.16 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.09 2pwg n ALA 429 Cb 0.61 -1.79 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 2pwg n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwg n GLY 430 N -0.86 0.96 0.15 0.00 0.00 -0.33 -1.47 105.19 103.65 2pwg n GLY 430 Ca 0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 2pwg n GLY 430 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pwg h PHE 431 N 0.00 0.78 -3.55 1.61 3.57 -0.88 -3.45 116.94 115.02 2pwg h PHE 431 Ca -0.19 -0.48 -0.06 0.00 3.53 0.00 0.00 57.97 60.77 2pwg h PHE 431 Cb 0.95 -0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.49 2pwg h PHE 431 CO 0.48 1.33 -0.17 -0.08 -2.23 0.00 0.00 178.31 177.64 2pwg s THR 432 N -3.02 0.09 -2.68 4.41 -1.32 -1.26 -1.47 115.64 110.39 2pwg s THR 432 Ca -0.07 -0.85 0.23 0.00 -1.21 0.00 0.00 61.69 59.79 2pwg s THR 432 Cb 0.07 -1.32 0.14 0.00 -1.51 0.00 0.00 72.50 69.88 2pwg s THR 432 CO 0.90 -0.39 1.19 0.35 -2.21 0.00 0.00 174.62 174.46 2pwg n THR 433 N -0.19 0.00 -0.55 5.08 -2.24 -1.26 -4.72 114.28 110.40 2pwg n THR 433 Ca -0.14 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2pwg n THR 433 Cb 0.63 1.43 0.00 0.00 -2.10 0.00 0.00 70.33 70.29 2pwg n THR 433 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pwg n GLY 434 N 1.32 4.13 3.46 3.38 0.00 -1.26 -4.98 105.19 111.24 2pwg n GLY 434 Ca 0.12 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 2pwg n GLY 434 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pwg s LYS 435 N 4.23 3.57 0.40 1.61 2.20 -1.26 -4.93 119.74 125.56 2pwg s LYS 435 Ca 0.00 -0.55 -0.27 0.00 -0.36 0.00 0.00 55.97 54.80 2pwg s LYS 435 Cb 0.00 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 2pwg s LYS 435 CO 0.00 -0.27 1.41 -0.35 -0.36 0.00 0.00 175.35 175.78 2pwg n PRO 436 N 4.95 2.34 0.27 4.03 -0.04 -1.26 -3.93 135.00 141.36 2pwg n PRO 436 Ca -0.15 0.83 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 2pwg n PRO 436 Cb 0.51 -2.56 0.74 0.00 -0.04 0.00 0.00 33.50 32.15 2pwg n PRO 436 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 2pwg h TRP 437 N 2.54 0.00 -3.62 0.54 5.08 -1.66 -3.39 115.95 115.43 2pwg h TRP 437 Ca -0.50 0.00 -0.35 0.00 1.08 0.00 0.00 58.89 59.12 2pwg h TRP 437 Cb 1.27 0.00 -0.32 0.00 -3.00 0.00 0.00 29.16 27.11 2pwg h TRP 437 CO 0.51 0.06 -0.75 -1.17 -1.28 0.00 0.00 178.44 175.80 2pwg s LEU 438 N -8.09 1.51 0.27 0.11 2.96 -1.26 -5.05 118.68 109.13 2pwg s LEU 438 Ca -0.04 -0.07 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 2pwg s LEU 438 Cb 0.15 -0.28 -0.15 0.00 0.50 0.00 0.00 46.19 46.41 2pwg s LEU 438 CO 0.61 -0.03 0.94 0.29 -1.32 0.00 0.00 176.35 176.84 2pwg n LYS 439 N 3.70 1.13 -2.77 1.98 5.02 -1.26 -4.41 118.16 121.55 2pwg n LYS 439 Ca -0.22 0.40 -0.35 0.00 -2.02 0.00 0.00 58.31 56.12 2pwg n LYS 439 Cb 0.53 -1.72 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 2pwg n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pwg s VAL 440 N -1.01 4.25 0.22 -0.18 1.01 -1.26 -4.53 120.40 118.90 2pwg s VAL 440 Ca 0.60 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.86 2pwg s VAL 440 Cb -0.74 -3.74 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 2pwg s VAL 440 CO 0.59 -0.13 1.31 0.21 0.00 0.00 0.00 175.10 177.07 2pwg s ASN 441 N -1.93 6.89 0.59 3.32 3.84 -1.26 -4.89 114.94 121.51 2pwg s ASN 441 Ca 0.58 2.44 0.34 0.00 0.21 0.00 0.00 52.86 56.42 2pwg s ASN 441 Cb -0.14 -2.62 1.88 0.00 -0.55 0.00 0.00 41.25 39.83 2pwg s ASN 441 CO 0.18 -0.52 2.22 -0.65 -2.79 0.00 0.00 177.10 175.55 2pwg h PRO 442 N 5.08 0.00 0.00 0.43 0.11 -1.98 -2.16 132.00 133.48 2pwg h PRO 442 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2pwg h PRO 442 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pwg h PRO 442 CO 0.76 0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.85 2pwg n ASN 443 N -3.51 0.00 0.27 -2.05 0.23 -1.26 -3.08 115.26 105.87 2pwg n ASN 443 Ca -0.02 -1.18 0.15 0.00 -0.53 0.00 0.00 54.58 53.00 2pwg n ASN 443 Cb 0.14 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.60 2pwg n ASN 443 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 2pwg h TYR 444 N 0.00 0.00 0.00 -2.53 -0.00 -1.58 0.07 116.97 112.93 2pwg h TYR 444 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 2pwg h TYR 444 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.73 2pwg h TYR 444 CO 0.00 0.09 -0.02 1.79 -0.00 0.00 0.00 178.16 180.02 2pwg h THR 445 N 0.00 0.63 0.00 -0.90 1.35 -1.83 -3.16 112.91 109.00 2pwg h THR 445 Ca -0.00 -0.10 -0.06 0.00 -0.55 0.00 0.00 66.41 65.70 2pwg h THR 445 Cb 0.36 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2pwg h THR 445 CO 0.01 0.02 -1.36 -1.84 -0.25 0.00 0.00 175.52 172.10 2pwg n GLU 446 N -3.94 1.67 -3.54 4.72 0.00 -0.83 -4.89 120.64 113.83 2pwg n GLU 446 Ca -0.03 -0.03 -0.41 0.00 0.00 0.00 0.00 57.16 56.69 2pwg n GLU 446 Cb 0.11 -1.16 -0.08 0.00 0.00 0.00 0.00 31.44 30.31 2pwg n GLU 446 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2pwg s ILE 447 N -2.30 4.27 -0.01 3.84 1.01 -0.05 -4.97 121.20 123.00 2pwg s ILE 447 Ca -0.03 -1.74 -0.26 0.00 0.00 0.00 0.00 60.65 58.62 2pwg s ILE 447 Cb 0.03 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.76 2pwg s ILE 447 CO 0.26 -0.76 0.58 0.54 0.00 0.00 0.00 174.94 175.56 2pwg s ASN 448 N 2.68 -0.53 0.19 3.58 2.20 -1.26 -4.35 114.94 117.45 2pwg s ASN 448 Ca 0.05 0.44 -0.12 0.00 -0.94 0.00 0.00 52.86 52.29 2pwg s ASN 448 Cb -0.26 0.50 0.16 0.00 -2.00 0.00 0.00 41.25 39.64 2pwg s ASN 448 CO -0.00 -0.63 1.79 0.00 -2.94 0.00 0.00 177.10 175.31 2pwg h ALA 449 N 3.02 0.70 -0.86 3.54 0.00 -0.81 -2.54 119.26 122.31 2pwg h ALA 449 Ca -0.29 0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.72 2pwg h ALA 449 Cb 1.17 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.82 2pwg h ALA 449 CO 0.40 -0.06 0.53 0.00 0.00 0.00 0.00 179.25 180.11 2pwg h ALA 450 N 1.29 1.20 0.00 0.00 0.00 -1.05 0.60 119.26 121.30 2pwg h ALA 450 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2pwg h ALA 450 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2pwg h ALA 450 CO -0.16 0.24 -0.42 -0.09 0.00 0.00 0.00 179.25 178.82 2pwg h ARG 451 N 0.94 0.00 0.00 0.00 2.43 -1.74 -3.28 114.38 112.73 2pwg h ARG 451 Ca 0.39 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.45 2pwg h ARG 451 Cb 0.23 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2pwg h ARG 451 CO -0.19 0.42 -1.68 0.39 -1.51 0.00 0.00 179.97 177.39 2pwg n GLU 452 N -3.78 0.64 -0.10 0.20 1.02 -0.63 -4.35 120.64 113.64 2pwg n GLU 452 Ca -0.01 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.10 2pwg n GLU 452 Cb 0.48 -1.67 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 2pwg n GLU 452 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2pwg h ILE 453 N 0.00 0.70 -0.38 -3.67 1.08 -0.98 -2.39 117.51 111.88 2pwg h ILE 453 Ca -0.14 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 2pwg h ILE 453 Cb 1.38 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 2pwg h ILE 453 CO 0.02 0.01 0.00 0.61 -0.69 0.00 0.00 178.15 178.10 2pwg n GLY 454 N -1.26 0.95 3.34 5.37 0.00 -1.26 -4.76 105.19 107.56 2pwg n GLY 454 Ca 0.01 -0.49 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 2pwg n GLY 454 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pwg s ASP 455 N -1.17 5.71 0.15 1.61 2.15 -0.90 -4.94 116.67 119.28 2pwg s ASP 455 Ca 0.31 -1.18 0.12 0.00 0.43 0.00 0.00 52.55 52.23 2pwg s ASP 455 Cb 0.16 -2.01 0.60 0.00 -0.30 0.00 0.00 42.92 41.37 2pwg s ASP 455 CO 0.23 -0.44 1.36 -0.81 -0.17 0.00 0.00 175.17 175.33 2pwg n PRO 456 N 4.98 0.07 -0.18 4.34 -0.04 -1.26 -1.56 135.00 141.34 2pwg n PRO 456 Ca -0.11 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 2pwg n PRO 456 Cb 0.45 -1.72 0.20 0.00 -0.04 0.00 0.00 33.50 32.39 2pwg n PRO 456 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2pwg n LYS 457 N -1.86 2.41 -1.65 0.54 5.02 -1.26 -4.70 118.16 116.65 2pwg n LYS 457 Ca -0.00 -2.21 -0.30 0.00 -2.02 0.00 0.00 58.31 53.78 2pwg n LYS 457 Cb 0.04 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.66 2pwg n LYS 457 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2pwg s SER 458 N -1.39 4.65 0.22 4.39 1.04 -0.60 -4.91 113.70 117.10 2pwg s SER 458 Ca 0.36 1.22 -0.07 0.00 0.48 0.00 0.00 55.95 57.94 2pwg s SER 458 Cb 0.21 -1.94 0.19 0.00 0.10 0.00 0.00 66.02 64.58 2pwg s SER 458 CO 0.29 -1.86 1.79 0.58 0.98 0.00 0.00 173.24 175.02 2pwg h VAL 459 N -1.01 1.26 -0.13 5.02 2.07 -1.87 -1.84 116.25 119.75 2pwg h VAL 459 Ca -0.47 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.26 2pwg h VAL 459 Cb 1.27 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2pwg h VAL 459 CO 0.61 0.34 -0.05 0.22 0.02 0.00 0.00 177.57 178.70 2pwg h TYR 460 N 1.12 -0.12 -0.33 1.57 5.03 -1.66 -1.56 116.97 121.03 2pwg h TYR 460 Ca 0.26 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.52 2pwg h TYR 460 Cb 0.23 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 2pwg h TYR 460 CO 0.02 -0.08 -0.06 0.77 -1.32 0.00 0.00 178.16 177.48 2pwg h SER 461 N -0.03 0.50 -0.68 -2.11 0.02 -1.73 -0.66 113.55 108.86 2pwg h SER 461 Ca 0.07 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 2pwg h SER 461 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2pwg h SER 461 CO -0.15 0.62 0.27 0.15 -1.14 0.00 0.00 176.83 176.58 2pwg h PHE 462 N 0.50 1.03 -0.51 3.45 3.57 -0.73 0.93 116.94 125.17 2pwg h PHE 462 Ca 0.10 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 2pwg h PHE 462 Cb 0.42 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2pwg h PHE 462 CO 0.01 0.80 0.15 1.88 -2.23 0.00 0.00 178.31 178.93 2pwg h TYR 463 N 0.96 0.84 -0.58 0.41 0.05 -0.69 0.21 116.97 118.17 2pwg h TYR 463 Ca 0.23 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.90 2pwg h TYR 463 Cb 0.21 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 2pwg h TYR 463 CO 0.01 0.73 0.30 -0.09 -1.05 0.00 0.00 178.16 178.06 2pwg h ARG 464 N 0.70 0.82 -0.37 4.88 2.43 -0.73 0.15 114.38 122.26 2pwg h ARG 464 Ca 0.16 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2pwg h ARG 464 Cb 0.29 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2pwg h ARG 464 CO -0.00 0.64 -0.12 -0.91 -1.51 0.00 0.00 179.97 178.07 2pwg h ASN 465 N 0.78 0.64 -0.21 -3.80 4.21 -0.54 -1.00 115.58 115.66 2pwg h ASN 465 Ca 0.20 -0.18 -0.06 0.00 1.21 0.00 0.00 56.30 57.47 2pwg h ASN 465 Cb 0.08 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 2pwg h ASN 465 CO -0.03 0.79 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.74 2pwg h LEU 466 N 0.60 0.45 -0.30 1.61 3.38 -0.38 -1.95 115.31 118.71 2pwg h LEU 466 Ca 0.10 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2pwg h LEU 466 Cb 0.56 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2pwg h LEU 466 CO 0.03 0.75 0.12 0.40 0.09 0.00 0.00 178.44 179.84 2pwg h ILE 467 N 0.14 0.95 -0.41 1.22 2.04 -0.52 0.77 117.51 121.70 2pwg h ILE 467 Ca 0.05 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.90 2pwg h ILE 467 Cb 0.58 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.24 2pwg h ILE 467 CO 0.03 0.05 -0.03 -1.28 0.00 0.00 0.00 178.15 176.92 2pwg h SER 468 N 0.27 -0.24 -0.63 1.72 0.87 -1.12 -0.90 113.55 113.52 2pwg h SER 468 Ca 0.13 0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 2pwg h SER 468 Cb 0.08 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 2pwg h SER 468 CO -0.12 -0.08 0.26 0.40 -0.53 0.00 0.00 176.83 176.77 2pwg h ILE 469 N 0.07 1.23 -0.72 2.23 2.04 -0.67 -2.42 117.51 119.28 2pwg h ILE 469 Ca 0.20 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 2pwg h ILE 469 Cb 0.30 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2pwg h ILE 469 CO -0.37 0.28 0.30 -0.09 0.00 0.00 0.00 178.15 178.27 2pwg h ARG 470 N 0.88 1.07 -0.45 2.37 2.43 -0.29 -1.89 114.38 118.50 2pwg h ARG 470 Ca 0.21 -0.19 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 2pwg h ARG 470 Cb 0.19 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2pwg h ARG 470 CO -0.02 0.87 0.30 0.45 -1.51 0.00 0.00 179.97 180.06 2pwg h HIS 471 N 1.03 0.41 -0.01 2.20 3.86 -0.84 -2.47 115.15 119.32 2pwg h HIS 471 Ca 0.24 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 2pwg h HIS 471 Cb 0.19 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2pwg h HIS 471 CO 0.01 0.23 -0.15 0.39 0.86 0.00 0.00 177.93 179.28 2pwg n GLU 472 N -4.48 1.37 -3.86 2.45 1.02 -0.77 -4.72 120.64 111.65 2pwg n GLU 472 Ca 0.05 -0.89 -0.30 0.00 -0.02 0.00 0.00 57.16 56.00 2pwg n GLU 472 Cb 0.21 -1.48 -0.15 0.00 -0.02 0.00 0.00 31.44 30.00 2pwg n GLU 472 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pwg s THR 473 N -2.24 1.62 0.25 2.62 2.01 -0.84 -5.00 115.64 114.06 2pwg s THR 473 Ca 0.30 -2.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.19 2pwg s THR 473 Cb 0.20 -2.19 0.25 0.00 0.01 0.00 0.00 72.50 70.77 2pwg s THR 473 CO 0.43 -0.69 1.67 -0.65 -0.69 0.00 0.00 174.62 174.69 2pwg h PRO 474 N 7.60 0.21 -0.47 4.92 0.11 -1.85 -0.46 132.00 142.06 2pwg h PRO 474 Ca -0.08 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.16 2pwg h PRO 474 Cb 1.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2pwg h PRO 474 CO 0.51 0.14 0.35 0.00 -0.21 0.00 0.00 178.00 178.79 2pwg h ALA 475 N 1.66 2.42 0.00 -0.75 0.00 -1.90 -0.91 119.26 119.78 2pwg h ALA 475 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2pwg h ALA 475 Cb 0.77 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2pwg h ALA 475 CO -0.57 -0.59 0.00 -0.07 0.00 0.00 0.00 179.25 178.02 2pwg h LEU 476 N 0.00 0.00 0.00 0.00 3.38 -1.39 -2.02 115.31 115.28 2pwg h LEU 476 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2pwg h LEU 476 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2pwg h LEU 476 CO -0.00 0.00 -0.25 -1.54 0.09 0.00 0.00 178.44 176.73 2pwg n SER 477 N -2.45 0.58 -0.94 -0.43 3.41 -0.40 -4.54 113.62 108.84 2pwg n SER 477 Ca 0.03 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.84 2pwg n SER 477 Cb 0.33 -0.47 0.27 0.00 -0.26 0.00 0.00 64.21 64.08 2pwg n SER 477 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pwg n THR 478 N -3.08 0.52 -1.68 6.66 -2.24 -0.88 -3.83 114.28 109.74 2pwg n THR 478 Ca -0.04 -0.63 -0.30 0.00 -2.27 0.00 0.00 64.05 60.81 2pwg n THR 478 Cb 0.13 0.58 0.09 0.00 -2.10 0.00 0.00 70.33 69.02 2pwg n THR 478 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2pwg s GLY 479 N -1.32 1.61 1.05 3.38 0.00 -0.76 -4.97 107.32 106.31 2pwg s GLY 479 Ca 0.36 -0.35 -0.12 0.00 0.00 0.00 0.00 44.72 44.61 2pwg s GLY 479 CO 0.28 0.09 1.07 -1.35 0.00 0.00 0.00 173.10 173.19 2pwg s SER 480 N -4.13 2.08 -0.02 1.64 1.04 -0.16 -4.71 113.70 109.44 2pwg s SER 480 Ca 0.61 1.30 0.01 0.00 0.48 0.00 0.00 55.95 58.34 2pwg s SER 480 Cb -0.13 -2.00 0.01 0.00 0.10 0.00 0.00 66.02 64.00 2pwg s SER 480 CO 0.53 -3.48 -0.02 -0.47 0.98 0.00 0.00 173.24 170.77 2pwg s TYR 481 N -2.80 0.35 -0.03 5.02 5.04 -1.26 -2.70 117.35 120.97 2pwg s TYR 481 Ca 0.66 -0.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.24 2pwg s TYR 481 Cb -0.21 -0.32 0.03 0.00 0.35 0.00 0.00 41.96 41.81 2pwg s TYR 481 CO 0.60 -0.07 0.04 0.50 -1.34 0.00 0.00 175.55 175.28 2pwg s ARG 482 N 0.46 -0.04 -0.25 4.97 3.52 -0.67 -5.00 118.95 121.93 2pwg s ARG 482 Ca -0.05 0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 55.54 2pwg s ARG 482 Cb -0.08 -0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 2pwg s ARG 482 CO -0.01 -0.20 0.91 0.34 -0.81 0.00 0.00 175.30 175.53 2pwg s ASP 483 N 1.32 6.90 0.20 -2.12 -1.08 -1.26 -1.41 116.67 119.22 2pwg s ASP 483 Ca -0.06 1.09 -0.10 0.00 -0.52 0.00 0.00 52.55 52.96 2pwg s ASP 483 Cb -0.13 -2.47 0.14 0.00 -1.46 0.00 0.00 42.92 38.99 2pwg s ASP 483 CO -0.03 -0.61 1.83 0.40 0.52 0.00 0.00 175.17 177.28 2pwg h ILE 484 N 5.49 1.21 -1.77 4.11 1.08 -1.64 -3.40 117.51 122.58 2pwg h ILE 484 Ca -0.22 -0.50 -0.33 0.00 -0.39 0.00 0.00 64.86 63.43 2pwg h ILE 484 Cb 1.08 0.24 -0.29 0.00 -3.07 0.00 0.00 36.82 34.78 2pwg h ILE 484 CO 0.92 0.23 -0.66 -0.62 -0.69 0.00 0.00 178.15 177.33 2pwg s ASP 485 N -5.99 0.60 0.58 1.72 2.15 -1.26 -5.02 116.67 109.45 2pwg s ASP 485 Ca -0.13 -1.60 0.29 0.00 0.43 0.00 0.00 52.55 51.54 2pwg s ASP 485 Cb 0.14 0.79 1.45 0.00 -0.30 0.00 0.00 42.92 45.01 2pwg s ASP 485 CO 0.79 -0.22 1.87 -0.65 -0.17 0.00 0.00 175.17 176.79 2pwg h PRO 486 N 6.78 0.00 -0.01 4.34 0.11 -1.94 -1.97 132.00 139.31 2pwg h PRO 486 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2pwg h PRO 486 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2pwg h PRO 486 CO 0.18 0.00 -0.33 -1.13 -0.21 0.00 0.00 178.00 176.51 2pwg n SER 487 N -3.80 1.24 -4.66 -2.05 3.41 -1.26 -4.59 113.62 101.90 2pwg n SER 487 Ca 0.11 -1.01 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 2pwg n SER 487 Cb 0.77 0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.93 2pwg n SER 487 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pwg s ASN 488 N -2.52 6.95 0.00 4.04 3.84 -0.74 -4.80 114.94 121.71 2pwg s ASN 488 Ca 0.22 1.73 0.22 0.00 0.21 0.00 0.00 52.86 55.24 2pwg s ASN 488 Cb 0.19 -2.54 0.53 0.00 -0.55 0.00 0.00 41.25 38.87 2pwg s ASN 488 CO 0.54 -0.74 1.45 0.00 -2.79 0.00 0.00 177.10 175.56 2pwg n ALA 489 N 6.39 2.45 -0.07 1.71 0.00 -1.26 -3.90 120.51 125.83 2pwg n ALA 489 Ca 0.13 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.58 2pwg n ALA 489 Cb 0.45 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 2pwg n ALA 489 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pwg n ASP 490 N 1.11 1.28 -4.08 0.00 8.00 -1.26 -4.20 116.55 117.40 2pwg n ASP 490 Ca 0.18 0.12 -0.28 0.00 0.71 0.00 0.00 54.79 55.53 2pwg n ASP 490 Cb 0.51 -0.36 -0.17 0.00 -0.02 0.00 0.00 41.12 41.09 2pwg n ASP 490 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pwg s VAL 491 N -2.24 1.51 -0.28 2.53 1.01 -1.26 -0.86 120.40 120.80 2pwg s VAL 491 Ca -0.18 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2pwg s VAL 491 Cb 0.07 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 2pwg s VAL 491 CO 0.24 0.44 0.37 -0.47 0.00 0.00 0.00 175.10 175.68 2pwg s TYR 492 N 0.73 3.24 -0.02 5.22 5.04 0.66 -4.87 117.35 127.35 2pwg s TYR 492 Ca -0.12 0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 2pwg s TYR 492 Cb -0.16 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.58 2pwg s TYR 492 CO 0.03 -0.25 -0.03 0.00 -1.34 0.00 0.00 175.55 173.95 2pwg s ALA 493 N 2.07 0.46 0.20 3.97 0.00 -1.26 0.07 121.76 127.27 2pwg s ALA 493 Ca 0.15 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 2pwg s ALA 493 Cb -0.16 -0.27 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2pwg s ALA 493 CO 0.10 0.02 0.58 1.52 0.00 0.00 0.00 175.76 177.98 2pwg s TYR 494 N 0.56 -0.24 0.24 0.00 1.13 -0.38 -1.53 117.35 117.12 2pwg s TYR 494 Ca -0.06 -0.10 0.11 0.00 -1.41 0.00 0.00 57.07 55.61 2pwg s TYR 494 Cb -0.10 0.50 -0.05 0.00 -1.10 0.00 0.00 41.96 41.22 2pwg s TYR 494 CO -0.01 -0.97 -0.17 0.95 -2.51 0.00 0.00 175.55 172.85 2pwg s THR 495 N -3.85 2.70 -0.03 -3.49 -4.23 -0.50 0.21 115.64 106.44 2pwg s THR 495 Ca 0.08 -2.11 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 2pwg s THR 495 Cb -0.02 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.45 2pwg s THR 495 CO -0.03 -0.27 -0.09 -0.13 -0.54 0.00 0.00 174.62 173.55 2pwg s ARG 496 N -3.19 1.07 0.03 3.99 1.81 -0.73 -1.68 118.95 120.26 2pwg s ARG 496 Ca 0.27 -0.32 -0.02 0.00 -1.72 0.00 0.00 55.73 53.94 2pwg s ARG 496 Cb -0.07 -0.98 -0.02 0.00 -0.45 0.00 0.00 34.95 33.43 2pwg s ARG 496 CO 0.14 0.10 0.02 -1.12 -0.68 0.00 0.00 175.30 173.76 2pwg s SER 497 N 0.29 0.27 -0.29 0.23 0.01 -1.10 -0.41 113.70 112.70 2pwg s SER 497 Ca -0.05 -0.63 -0.16 0.00 1.31 0.00 0.00 55.95 56.43 2pwg s SER 497 Cb -0.10 0.17 0.16 0.00 0.21 0.00 0.00 66.02 66.46 2pwg s SER 497 CO 0.01 -0.45 1.02 -1.58 0.41 0.00 0.00 173.24 172.65 2pwg s GLN 498 N -2.46 0.32 -1.27 12.44 0.74 0.17 -0.99 119.66 128.60 2pwg s GLN 498 Ca -0.06 0.57 -0.04 0.00 0.05 0.00 0.00 55.36 55.88 2pwg s GLN 498 Cb -0.02 0.09 -0.01 0.00 1.10 0.00 0.00 33.01 34.17 2pwg s GLN 498 CO -0.04 -0.07 0.70 -0.25 -0.55 0.00 0.00 175.29 175.08 2pwg n ASP 499 N 3.71 -2.16 0.00 6.67 8.00 -1.26 -1.88 116.55 129.64 2pwg n ASP 499 Ca -0.18 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.46 2pwg n ASP 499 Cb 0.57 -3.95 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 2pwg n ASP 499 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwg n GLY 500 N -1.60 2.79 3.76 0.44 0.00 -1.26 -4.99 105.19 104.33 2pwg n GLY 500 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2pwg n GLY 500 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwg s GLU 501 N 0.00 4.48 -0.03 1.61 0.41 -0.79 -5.06 118.70 119.33 2pwg s GLU 501 Ca 0.00 1.04 0.03 0.00 -0.41 0.00 0.00 54.97 55.63 2pwg s GLU 501 Cb 0.00 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 2pwg s GLU 501 CO 0.00 0.39 -0.11 0.99 -0.49 0.00 0.00 175.26 176.04 2pwg s THR 502 N -0.42 0.93 0.19 3.63 2.01 -1.26 -0.66 115.64 120.06 2pwg s THR 502 Ca 0.37 -0.45 0.11 0.00 0.31 0.00 0.00 61.69 62.02 2pwg s THR 502 Cb -0.21 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2pwg s THR 502 CO 0.23 0.28 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.92 2pwg s TYR 503 N 0.10 2.37 -0.10 4.92 1.51 0.45 -2.30 117.35 124.30 2pwg s TYR 503 Ca -0.02 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2pwg s TYR 503 Cb -0.09 -1.17 0.01 0.00 -0.11 0.00 0.00 41.96 40.60 2pwg s TYR 503 CO 0.01 0.50 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.59 2pwg s LEU 504 N -2.67 1.86 -0.12 -1.29 2.96 0.95 -1.78 118.68 118.59 2pwg s LEU 504 Ca 0.21 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2pwg s LEU 504 Cb -0.08 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 2pwg s LEU 504 CO 0.11 0.06 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.40 2pwg s VAL 505 N 0.74 3.26 -0.08 1.68 1.01 0.13 -0.09 120.40 127.05 2pwg s VAL 505 Ca -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.27 2pwg s VAL 505 Cb -0.16 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.88 2pwg s VAL 505 CO 0.02 0.53 -0.07 -0.69 0.00 0.00 0.00 175.10 174.89 2pwg s VAL 506 N 0.13 0.84 -0.10 2.92 1.01 -0.48 -1.26 120.40 123.47 2pwg s VAL 506 Ca -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2pwg s VAL 506 Cb -0.15 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2pwg s VAL 506 CO 0.04 0.31 -0.01 -0.69 0.00 0.00 0.00 175.10 174.76 2pwg s VAL 507 N 1.28 0.52 -0.32 2.92 1.01 0.11 -0.69 120.40 125.23 2pwg s VAL 507 Ca -0.04 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.61 2pwg s VAL 507 Cb -0.14 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.54 2pwg s VAL 507 CO -0.03 0.20 0.92 0.21 0.00 0.00 0.00 175.10 176.41 2pwg s ASN 508 N 1.90 6.77 0.00 3.32 2.47 0.49 -0.25 114.94 129.64 2pwg s ASN 508 Ca 0.04 0.78 0.21 0.00 0.42 0.00 0.00 52.86 54.32 2pwg s ASN 508 Cb -0.13 -2.47 0.59 0.00 -1.45 0.00 0.00 41.25 37.79 2pwg s ASN 508 CO -0.06 -0.76 1.47 0.49 -3.72 0.00 0.00 177.10 174.51 2pwg n PHE 509 N 6.56 0.35 -4.15 0.43 3.01 -0.04 -3.49 117.46 120.13 2pwg n PHE 509 Ca 0.07 -0.17 -0.31 0.00 1.01 0.00 0.00 57.45 58.05 2pwg n PHE 509 Cb 0.48 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 2pwg n PHE 509 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pwg s LYS 510 N -1.65 2.79 -0.15 -1.08 -0.14 -1.24 -4.91 119.74 113.35 2pwg s LYS 510 Ca 0.34 -0.68 -0.00 0.00 -1.36 0.00 0.00 55.97 54.28 2pwg s LYS 510 Cb 0.19 -2.68 0.12 0.00 -1.68 0.00 0.00 37.83 33.78 2pwg s LYS 510 CO 0.28 0.59 1.85 0.00 -0.76 0.00 0.00 175.35 177.31 2pwg n ALA 511 N 0.87 4.30 -2.43 5.17 0.00 -1.26 -1.70 120.51 125.46 2pwg n ALA 511 Ca -0.12 -0.82 -0.08 0.00 0.00 0.00 0.00 53.44 52.42 2pwg n ALA 511 Cb 0.52 -1.17 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 2pwg n ALA 511 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2pwg s GLU 512 N -0.90 0.74 0.37 0.00 2.02 -1.26 -4.81 118.70 114.85 2pwg s GLU 512 Ca 0.15 -1.01 -0.28 0.00 0.02 0.00 0.00 54.97 53.85 2pwg s GLU 512 Cb 0.12 0.29 -0.10 0.00 0.10 0.00 0.00 34.13 34.54 2pwg s GLU 512 CO 0.00 -0.20 1.35 -1.25 0.02 0.00 0.00 175.26 175.18 2pwg s PRO 513 N -3.73 4.17 0.17 0.39 0.04 -1.26 -3.88 135.00 130.91 2pwg s PRO 513 Ca 0.04 2.29 -0.01 0.00 0.04 0.00 0.00 61.00 63.36 2pwg s PRO 513 Cb 0.05 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 2pwg s PRO 513 CO -0.10 -0.37 0.09 1.03 0.04 0.00 0.00 177.00 177.69 2pwg s ARG 514 N -2.00 1.09 0.11 4.56 1.81 -0.21 -4.98 118.95 119.33 2pwg s ARG 514 Ca 0.52 -1.55 0.08 0.00 -1.72 0.00 0.00 55.73 53.06 2pwg s ARG 514 Cb -0.41 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.24 2pwg s ARG 514 CO 0.54 -0.31 -0.20 -1.12 -0.68 0.00 0.00 175.30 173.53 2pwg s SER 515 N -3.13 2.53 -0.03 0.23 0.01 -1.26 -0.01 113.70 112.03 2pwg s SER 515 Ca 0.32 -0.72 -0.00 0.00 1.31 0.00 0.00 55.95 56.85 2pwg s SER 515 Cb 0.07 -0.14 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2pwg s SER 515 CO 0.07 0.03 0.03 0.12 0.41 0.00 0.00 173.24 173.90 2pwg s PHE 516 N -1.35 0.15 -0.17 2.43 5.36 -0.36 -4.97 117.98 119.08 2pwg s PHE 516 Ca 0.08 0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 56.09 2pwg s PHE 516 Cb -0.09 -0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 42.17 2pwg s PHE 516 CO 0.05 -0.14 0.06 0.99 -1.46 0.00 0.00 175.22 174.71 2pwg s THR 517 N 1.38 4.77 0.78 0.12 2.01 -1.26 0.65 115.64 124.09 2pwg s THR 517 Ca -0.05 -0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 2pwg s THR 517 Cb -0.13 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.31 2pwg s THR 517 CO -0.03 0.48 1.08 -0.76 -0.69 0.00 0.00 174.62 174.71 2pwg s LEU 518 N 0.17 2.78 0.64 4.42 1.43 -0.98 -4.99 118.68 122.15 2pwg s LEU 518 Ca 0.04 1.55 -0.18 0.00 -1.03 0.00 0.00 54.13 54.51 2pwg s LEU 518 Cb -0.12 -4.22 -0.01 0.00 0.03 0.00 0.00 46.19 41.87 2pwg s LEU 518 CO 0.01 -1.98 1.28 -2.84 0.23 0.00 0.00 176.35 173.05 2pwg s PRO 519 N -5.02 2.61 -0.11 1.29 0.02 -1.26 -4.85 135.00 127.67 2pwg s PRO 519 Ca 0.61 2.03 -0.39 0.00 0.02 0.00 0.00 61.00 63.27 2pwg s PRO 519 Cb -0.16 -1.86 -0.16 0.00 0.02 0.00 0.00 34.50 32.34 2pwg s PRO 519 CO 0.55 -1.54 1.55 -0.25 -0.33 0.00 0.00 177.00 176.98 2pwg n ASP 520 N -1.86 1.98 0.00 2.53 8.00 -1.26 -1.09 116.55 124.85 2pwg n ASP 520 Ca 0.16 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2pwg n ASP 520 Cb 0.48 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2pwg n ASP 520 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pwg n GLY 521 N 3.38 0.82 3.74 0.44 0.00 -1.26 -5.04 105.19 107.25 2pwg n GLY 521 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2pwg n GLY 521 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pwg s MET 522 N -0.31 3.29 0.02 1.61 0.00 -0.25 -4.97 119.30 118.68 2pwg s MET 522 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 55.69 55.39 2pwg s MET 522 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.83 2pwg s MET 522 CO 0.00 0.65 -0.04 -1.01 0.00 0.00 0.00 175.02 174.62 2pwg s HIS 523 N -0.72 0.37 0.21 4.11 3.76 -1.26 -4.74 115.29 117.02 2pwg s HIS 523 Ca 0.12 -0.32 -0.30 0.00 -0.15 0.00 0.00 55.06 54.41 2pwg s HIS 523 Cb -0.12 -0.24 -0.10 0.00 1.11 0.00 0.00 32.58 33.24 2pwg s HIS 523 CO 0.02 -0.08 1.46 0.42 -0.85 0.00 0.00 174.74 175.71 2pwg s ILE 524 N -0.84 2.75 -0.16 0.60 -1.09 -0.57 0.15 121.20 122.03 2pwg s ILE 524 Ca -0.07 0.60 -0.05 0.00 -2.23 0.00 0.00 60.65 58.90 2pwg s ILE 524 Cb -0.06 -3.38 -0.08 0.00 -1.58 0.00 0.00 42.46 37.35 2pwg s ILE 524 CO -0.00 0.08 -0.19 0.00 -1.23 0.00 0.00 174.94 173.60 2pwg n ALA 525 N 2.90 1.82 -2.77 9.38 0.00 0.13 0.43 120.51 132.41 2pwg n ALA 525 Ca 0.09 -0.66 -0.10 0.00 0.00 0.00 0.00 53.44 52.77 2pwg n ALA 525 Cb 0.40 0.23 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 2pwg n ALA 525 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2pwg s GLU 526 N -2.31 0.95 -0.18 0.00 -1.05 -0.41 -4.76 118.70 110.95 2pwg s GLU 526 Ca -0.22 -0.84 -0.02 0.00 -0.15 0.00 0.00 54.97 53.73 2pwg s GLU 526 Cb 0.08 0.40 -0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2pwg s GLU 526 CO 0.32 -0.34 -0.09 0.99 0.95 0.00 0.00 175.26 177.08 2pwg s THR 527 N -3.84 3.15 -0.10 1.83 2.01 -1.26 -1.29 115.64 116.14 2pwg s THR 527 Ca 0.04 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.37 2pwg s THR 527 Cb 0.03 -2.38 -0.27 0.00 0.01 0.00 0.00 72.50 69.89 2pwg s THR 527 CO -0.11 0.48 0.46 -0.07 -0.69 0.00 0.00 174.62 174.69 2pwg h LEU 528 N 7.43 0.47 -7.00 4.42 4.07 -1.58 -3.49 115.31 119.63 2pwg h LEU 528 Ca -0.35 -0.93 0.16 0.00 0.08 0.00 0.00 57.88 56.84 2pwg h LEU 528 Cb 1.18 -0.15 -0.19 0.00 1.08 0.00 0.00 40.66 42.58 2pwg h LEU 528 CO 0.59 1.82 0.65 -0.51 -1.08 0.00 0.00 178.44 179.91 2pwg s ILE 529 N -2.57 0.00 0.09 1.22 2.07 -1.18 -5.00 121.20 115.84 2pwg s ILE 529 Ca -0.20 0.00 -0.12 0.00 -1.41 0.00 0.00 60.65 58.92 2pwg s ILE 529 Cb 0.06 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.67 2pwg s ILE 529 CO 0.80 0.00 0.29 -1.61 -1.91 0.00 0.00 174.94 172.50 2pwg s GLU 530 N -2.21 0.92 0.00 3.50 2.02 -1.26 -1.62 118.70 120.05 2pwg s GLU 530 Ca 0.05 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.28 2pwg s GLU 530 Cb -0.01 0.39 -0.01 0.00 0.10 0.00 0.00 34.13 34.60 2pwg s GLU 530 CO -0.05 -0.32 -0.11 -1.54 0.02 0.00 0.00 175.26 173.26 2pwg s SER 531 N -2.71 1.25 -1.61 -0.19 1.04 -0.46 -4.79 113.70 106.24 2pwg s SER 531 Ca 0.03 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 2pwg s SER 531 Cb 0.03 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.03 2pwg s SER 531 CO -0.10 0.10 0.38 -1.20 0.98 0.00 0.00 173.24 173.40 2pwg n SER 532 N 2.64 -5.88 -4.23 7.02 7.64 -1.26 -2.56 113.62 116.98 2pwg n SER 532 Ca -0.15 -0.19 -0.32 0.00 1.01 0.00 0.00 58.87 59.23 2pwg n SER 532 Cb 0.56 -4.81 -0.17 0.00 -1.01 0.00 0.00 64.21 58.78 2pwg n SER 532 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2pwg s SER 533 N -2.47 3.05 0.40 6.43 0.15 -1.26 -4.57 113.70 115.44 2pwg s SER 533 Ca 0.20 -0.54 0.22 0.00 0.70 0.00 0.00 55.95 56.53 2pwg s SER 533 Cb -0.09 -1.19 0.28 0.00 -1.71 0.00 0.00 66.02 63.31 2pwg s SER 533 CO 0.25 0.19 1.54 1.55 1.20 0.00 0.00 173.24 177.97 2pwg h PRO 534 N 6.47 0.00 -2.15 5.44 0.13 -1.98 -3.46 132.00 136.45 2pwg h PRO 534 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 2pwg h PRO 534 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2pwg h PRO 534 CO 0.47 0.06 0.07 0.00 -0.23 0.00 0.00 178.00 178.37 2pwg s ALA 535 N -3.19 -1.63 0.54 -0.56 0.00 -1.26 -5.15 121.76 110.51 2pwg s ALA 535 Ca 0.06 1.75 -0.17 0.00 0.00 0.00 0.00 51.96 53.60 2pwg s ALA 535 Cb 0.06 -0.92 -0.06 0.00 0.00 0.00 0.00 23.12 22.19 2pwg s ALA 535 CO 0.69 -0.32 1.03 0.00 0.00 0.00 0.00 175.76 177.16 2pwg s ALA 536 N 0.12 2.87 1.00 0.00 0.00 -1.26 -5.01 121.76 119.47 2pwg s ALA 536 Ca -0.02 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.23 2pwg s ALA 536 Cb -0.04 -3.21 0.19 0.00 0.00 0.00 0.00 23.12 20.06 2pwg s ALA 536 CO 0.02 -0.50 1.09 -1.25 0.00 0.00 0.00 175.76 175.12 2pwg s PRO 537 N -3.81 0.40 0.18 0.00 0.04 -1.26 -4.98 135.00 125.58 2pwg s PRO 537 Ca 0.63 1.08 -0.20 0.00 0.04 0.00 0.00 61.00 62.55 2pwg s PRO 537 Cb -0.14 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 2pwg s PRO 537 CO 0.30 -2.90 0.70 0.00 0.04 0.00 0.00 177.00 175.13 2pwg s ALA 538 N -2.67 3.46 0.21 8.56 0.00 -1.26 -4.94 121.76 125.12 2pwg s ALA 538 Ca 0.66 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 52.46 2pwg s ALA 538 Cb -0.22 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 19.96 2pwg s ALA 538 CO 0.60 0.34 1.16 0.00 0.00 0.00 0.00 175.76 177.86 2pwg n ALA 539 N 1.02 -0.40 -0.31 0.00 0.00 -1.26 -0.10 120.51 119.46 2pwg n ALA 539 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2pwg n ALA 539 Cb 0.51 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2pwg n ALA 539 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwg n GLY 540 N 1.86 1.46 3.57 0.00 0.00 0.17 -4.98 105.19 107.28 2pwg n GLY 540 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2pwg n GLY 540 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwg n ALA 541 N -0.36 -0.27 0.05 4.61 0.00 0.85 -4.46 120.51 120.94 2pwg n ALA 541 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 53.44 53.69 2pwg n ALA 541 Cb 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 19.45 17.51 2pwg n ALA 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pwg n ALA 542 N -0.59 2.26 -3.78 0.00 0.00 -1.26 -1.51 120.51 115.63 2pwg n ALA 542 Ca 0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 53.44 52.61 2pwg n ALA 542 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 2pwg n ALA 542 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2pwg s SER 543 N -0.81 -0.28 0.02 0.00 1.04 -1.26 -2.31 113.70 110.09 2pwg s SER 543 Ca 0.11 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.07 2pwg s SER 543 Cb 0.06 0.67 -0.01 0.00 0.10 0.00 0.00 66.02 66.84 2pwg s SER 543 CO 0.09 -1.21 -0.07 -0.76 0.98 0.00 0.00 173.24 172.26 2pwg s LEU 544 N -2.89 2.13 -0.19 2.42 1.43 0.21 -4.94 118.68 116.84 2pwg s LEU 544 Ca 0.10 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.81 2pwg s LEU 544 Cb -0.05 -0.26 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 2pwg s LEU 544 CO 0.04 -0.05 0.02 -1.61 0.23 0.00 0.00 176.35 174.97 2pwg s GLU 545 N -0.85 3.74 -0.07 1.70 0.41 -1.26 -1.22 118.70 121.14 2pwg s GLU 545 Ca -0.03 -0.46 0.03 0.00 -0.41 0.00 0.00 54.97 54.10 2pwg s GLU 545 Cb -0.06 -3.11 -0.02 0.00 -1.78 0.00 0.00 34.13 29.16 2pwg s GLU 545 CO 0.00 0.12 -0.18 -0.51 -0.49 0.00 0.00 175.26 174.20 2pwg s LEU 546 N 0.74 2.49 0.84 1.80 1.43 0.98 -5.01 118.68 121.95 2pwg s LEU 546 Ca 0.01 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2pwg s LEU 546 Cb -0.14 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.67 2pwg s LEU 546 CO 0.02 0.26 1.13 -1.10 0.23 0.00 0.00 176.35 176.89 2pwg s GLN 547 N -0.23 1.75 0.22 1.70 -1.52 -1.26 -1.05 119.66 119.26 2pwg s GLN 547 Ca -0.00 0.35 -0.32 0.00 -1.95 0.00 0.00 55.36 53.44 2pwg s GLN 547 Cb -0.13 -1.90 -0.12 0.00 -0.22 0.00 0.00 33.01 30.63 2pwg s GLN 547 CO 0.03 -1.79 1.69 -2.30 -0.25 0.00 0.00 175.29 172.68 2pwg n PRO 548 N -3.50 2.72 -1.99 2.91 -0.02 -1.25 -2.02 135.00 131.85 2pwg n PRO 548 Ca 0.07 0.98 -0.21 0.00 -2.02 0.00 0.00 63.50 62.32 2pwg n PRO 548 Cb 0.59 -2.81 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 2pwg n PRO 548 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2pwg n TRP 549 N 3.68 -0.49 -2.53 6.00 7.02 -0.69 -4.90 117.44 125.52 2pwg n TRP 549 Ca 0.15 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.26 2pwg n TRP 549 Cb 0.35 -3.71 -0.04 0.00 -2.42 0.00 0.00 31.31 25.49 2pwg n TRP 549 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 2pwg s GLN 550 N -4.38 4.22 0.08 -0.99 0.74 -0.86 -4.56 119.66 113.90 2pwg s GLN 550 Ca 0.00 1.55 0.03 0.00 0.05 0.00 0.00 55.36 56.98 2pwg s GLN 550 Cb 0.00 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.46 2pwg s GLN 550 CO 0.00 -0.10 -0.08 -1.54 -0.55 0.00 0.00 175.29 173.02 2pwg s SER 551 N -1.48 1.14 -0.09 6.67 1.04 -1.06 -0.38 113.70 119.54 2pwg s SER 551 Ca 0.56 -0.77 -0.30 0.00 0.48 0.00 0.00 55.95 55.92 2pwg s SER 551 Cb -0.23 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.01 2pwg s SER 551 CO 0.29 -0.30 0.74 -0.83 0.98 0.00 0.00 173.24 174.12 2pwg s GLY 552 N -2.30 -0.52 -0.12 7.32 0.00 0.14 -1.35 107.32 110.49 2pwg s GLY 552 Ca 0.02 1.52 0.03 0.00 0.00 0.00 0.00 44.72 46.29 2pwg s GLY 552 CO -0.01 1.06 -0.23 -0.42 0.00 0.00 0.00 173.10 173.50 2pwg s ILE 553 N -1.01 2.10 0.11 0.90 1.01 -0.64 -1.38 121.20 122.30 2pwg s ILE 553 Ca -0.08 -0.99 0.05 0.00 0.00 0.00 0.00 60.65 59.62 2pwg s ILE 553 Cb -0.01 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2pwg s ILE 553 CO 0.08 0.55 -0.11 -0.31 0.00 0.00 0.00 174.94 175.14 2pwg s TYR 554 N 0.53 1.20 -0.22 3.97 1.51 0.87 -1.35 117.35 123.86 2pwg s TYR 554 Ca -0.14 -0.63 -0.09 0.00 -1.01 0.00 0.00 57.07 55.21 2pwg s TYR 554 Cb -0.17 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 2pwg s TYR 554 CO 0.05 0.06 0.10 0.21 -1.11 0.00 0.00 175.55 174.86 2pwg s LYS 555 N -2.82 3.95 0.44 -0.62 2.20 -0.41 -0.03 119.74 122.44 2pwg s LYS 555 Ca 0.08 -0.34 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2pwg s LYS 555 Cb -0.03 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2pwg s LYS 555 CO 0.01 0.11 0.36 0.14 -0.36 0.00 0.00 175.35 175.61 2pwg s VAL 556 N 0.85 2.42 0.00 4.02 -7.23 -0.97 0.17 120.40 119.65 2pwg s VAL 556 Ca 0.05 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2pwg s VAL 556 Cb -0.13 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2pwg s VAL 556 CO 0.03 0.00 0.14 2.29 -0.31 0.00 0.00 175.10 177.25