#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw s GLN 2 N 0.00 3.54 -0.20 2.12 1.03 -1.26 -0.19 119.66 124.69 3cpw s GLN 2 Ca 0.00 -0.22 -0.01 0.00 0.04 0.00 0.00 55.36 55.17 3cpw s GLN 2 Cb 0.00 -2.98 0.06 0.00 0.03 0.00 0.00 33.01 30.12 3cpw s GLN 2 CO 0.00 0.57 -0.02 0.00 -2.54 0.00 0.00 175.29 173.30 3cpw s ALA 3 N -1.51 1.49 -0.14 2.60 0.00 0.24 -4.72 121.76 119.73 3cpw s ALA 3 Ca 0.35 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 51.03 3cpw s ALA 3 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 3cpw s ALA 3 CO 0.24 -1.10 1.76 0.99 0.00 0.00 0.00 175.76 177.65 3cpw s THR 4 N 1.62 3.46 0.22 0.00 2.01 -1.26 -0.79 115.64 120.90 3cpw s THR 4 Ca -0.03 0.53 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 3cpw s THR 4 Cb -0.17 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 3cpw s THR 4 CO -0.07 -0.15 0.78 -0.63 -0.69 0.00 0.00 174.62 173.85 3cpw s ILE 5 N 5.21 4.44 0.10 1.82 1.01 -0.78 -4.31 121.20 128.69 3cpw s ILE 5 Ca 0.79 1.51 0.10 0.00 0.00 0.00 0.00 60.65 63.05 3cpw s ILE 5 Cb -0.31 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3cpw s ILE 5 CO 0.32 0.31 -0.27 -0.31 0.00 0.00 0.00 174.94 175.00 3cpw s TYR 6 N -1.40 2.32 0.51 3.97 1.51 -0.97 -0.50 117.35 122.78 3cpw s TYR 6 Ca 0.41 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3cpw s TYR 6 Cb -0.19 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.37 3cpw s TYR 6 CO 0.23 0.26 0.72 0.16 -1.11 0.00 0.00 175.55 175.81 3cpw s ASP 7 N -1.74 5.44 0.00 2.29 -4.77 -1.03 -0.97 116.67 115.88 3cpw s ASP 7 Ca 0.13 -0.01 0.01 0.00 -3.30 0.00 0.00 52.55 49.38 3cpw s ASP 7 Cb -0.10 -0.98 0.07 0.00 -1.09 0.00 0.00 42.92 40.82 3cpw s ASP 7 CO 0.05 -1.00 0.30 0.18 0.70 0.00 0.00 175.17 175.39 3cpw n LEU 8 N -2.22 0.00 -0.00 2.11 4.77 -1.26 0.06 117.00 120.46 3cpw n LEU 8 Ca 0.07 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.09 3cpw n LEU 8 Cb 0.59 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3cpw n LEU 8 CO 0.45 0.00 -0.09 0.47 -1.33 0.00 0.00 177.39 176.89 3cpw n ASP 9 N -0.60 0.71 0.00 -1.43 8.00 -1.26 -4.77 116.55 117.19 3cpw n ASP 9 Ca 0.01 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.88 3cpw n ASP 9 Cb 0.00 1.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 3cpw n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cpw n GLY 10 N 1.30 0.73 3.67 0.44 0.00 0.11 -4.90 105.19 106.54 3cpw n GLY 10 Ca 0.01 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3cpw n GLY 10 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cpw s ASN 11 N -2.41 5.59 0.37 1.61 0.01 -1.26 -4.86 114.94 114.00 3cpw s ASN 11 Ca 0.00 0.14 -0.24 0.00 -0.71 0.00 0.00 52.86 52.05 3cpw s ASN 11 Cb 0.00 -1.85 -0.13 0.00 0.41 0.00 0.00 41.25 39.68 3cpw s ASN 11 CO 0.00 0.26 0.62 0.35 -1.51 0.00 0.00 177.10 176.82 3cpw n THR 12 N 2.95 1.82 -2.94 1.60 -2.24 -1.26 -2.47 114.28 111.74 3cpw n THR 12 Ca -0.18 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 60.96 3cpw n THR 12 Cb 0.53 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3cpw n THR 12 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3cpw n ASP 13 N 1.36 -1.48 0.00 3.42 -0.08 0.34 -4.80 116.55 115.31 3cpw n ASP 13 Ca 0.12 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.30 3cpw n ASP 13 Cb 0.37 0.77 0.00 0.00 2.34 0.00 0.00 41.12 44.60 3cpw n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3cpw n GLY 14 N 1.36 -2.11 3.49 0.27 0.00 -1.26 -4.58 105.19 102.35 3cpw n GLY 14 Ca 0.14 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.53 3cpw n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cpw s GLU 15 N -0.10 1.03 0.30 1.61 -1.05 -1.26 -1.86 118.70 117.36 3cpw s GLU 15 Ca 0.00 -0.14 0.07 0.00 -0.15 0.00 0.00 54.97 54.75 3cpw s GLU 15 Cb 0.00 0.48 -0.06 0.00 -0.44 0.00 0.00 34.13 34.11 3cpw s GLU 15 CO 0.00 -0.40 -0.06 0.08 0.95 0.00 0.00 175.26 175.83 3cpw s VAL 16 N -2.51 1.76 -0.13 1.83 1.01 0.03 -4.89 120.40 117.49 3cpw s VAL 16 Ca -0.02 -2.14 -0.29 0.00 0.00 0.00 0.00 61.98 59.53 3cpw s VAL 16 Cb -0.01 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3cpw s VAL 16 CO -0.03 -0.27 1.12 -1.81 0.00 0.00 0.00 175.10 174.11 3cpw s ASP 17 N -3.48 7.09 -0.12 3.32 1.01 -1.26 0.82 116.67 124.05 3cpw s ASP 17 Ca 0.30 1.61 -0.29 0.00 0.71 0.00 0.00 52.55 54.88 3cpw s ASP 17 Cb 0.04 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3cpw s ASP 17 CO 0.13 -0.61 1.50 -0.22 0.21 0.00 0.00 175.17 176.18 3cpw s LEU 18 N 2.68 4.22 0.69 1.23 2.96 0.73 -4.88 118.68 126.32 3cpw s LEU 18 Ca 0.51 1.96 -0.17 0.00 -0.22 0.00 0.00 54.13 56.21 3cpw s LEU 18 Cb -0.20 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3cpw s LEU 18 CO 0.15 -0.90 0.78 -0.81 -1.32 0.00 0.00 176.35 174.26 3cpw n PRO 19 N 6.98 0.49 -0.27 0.98 -0.04 -1.26 -3.89 135.00 138.00 3cpw n PRO 19 Ca 0.16 0.21 0.08 0.00 -0.04 0.00 0.00 63.50 63.92 3cpw n PRO 19 Cb 0.44 -2.03 0.22 0.00 -0.04 0.00 0.00 33.50 32.09 3cpw n PRO 19 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3cpw h ASP 20 N -0.14 0.17 -1.00 3.54 3.32 -1.92 -2.51 116.42 117.88 3cpw h ASP 20 Ca -0.47 0.14 0.37 0.00 0.02 0.00 0.00 57.03 57.09 3cpw h ASP 20 Cb 1.35 0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.89 3cpw h ASP 20 CO 0.46 0.00 0.56 -0.37 -1.72 0.00 0.00 179.24 178.17 3cpw h VAL 21 N 0.35 0.16 0.00 -1.35 -1.51 -1.91 0.65 116.25 112.65 3cpw h VAL 21 Ca 0.47 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 3cpw h VAL 21 Cb 0.81 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.94 3cpw h VAL 21 CO -0.50 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 176.36 3cpw n PHE 22 N -5.15 0.00 0.25 5.19 3.01 -0.95 0.03 117.46 119.85 3cpw n PHE 22 Ca 0.35 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.84 3cpw n PHE 22 Cb 1.12 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.62 3cpw n PHE 22 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3cpw n GLU 23 N -0.70 0.08 -1.72 -1.08 1.02 0.23 -4.67 120.64 113.80 3cpw n GLU 23 Ca 0.03 -0.94 -0.43 0.00 -0.02 0.00 0.00 57.16 55.80 3cpw n GLU 23 Cb 0.01 -1.13 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 3cpw n GLU 23 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3cpw n THR 24 N 0.35 0.50 -1.70 2.62 -1.04 0.10 -4.86 114.28 110.25 3cpw n THR 24 Ca 0.04 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.05 61.50 3cpw n THR 24 Cb 0.17 -1.88 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 3cpw n THR 24 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3cpw n PRO 25 N 3.00 2.78 -1.75 -2.82 -0.04 -1.26 -4.78 135.00 130.13 3cpw n PRO 25 Ca 0.13 1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 64.18 3cpw n PRO 25 Cb 0.35 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 3cpw n PRO 25 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cpw s VAL 26 N 2.35 3.06 -0.52 0.52 1.01 -1.26 -4.80 120.40 120.75 3cpw s VAL 26 Ca 0.80 0.17 0.04 0.00 0.00 0.00 0.00 61.98 63.00 3cpw s VAL 26 Cb -0.49 -3.11 0.14 0.00 0.00 0.00 0.00 36.38 32.91 3cpw s VAL 26 CO 0.36 -0.01 0.28 -0.60 0.00 0.00 0.00 175.10 175.13 3cpw s ARG 27 N 4.08 1.88 0.43 2.72 6.06 -1.26 -4.97 118.95 127.89 3cpw s ARG 27 Ca 0.84 -2.58 0.17 0.00 -2.50 0.00 0.00 55.73 51.66 3cpw s ARG 27 Cb -0.41 -3.10 0.97 0.00 0.06 0.00 0.00 34.95 32.47 3cpw s ARG 27 CO 0.38 -1.14 1.93 0.66 -2.50 0.00 0.00 175.30 174.63 3cpw h SER 28 N 6.40 0.00 -0.46 -2.12 4.64 -1.93 -1.23 113.55 118.85 3cpw h SER 28 Ca -0.03 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 3cpw h SER 28 Cb 0.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3cpw h SER 28 CO 0.65 0.25 -0.04 -2.24 -0.87 0.00 0.00 176.83 174.58 3cpw h ASP 29 N 0.00 0.83 0.37 4.97 2.03 -1.94 0.16 116.42 122.84 3cpw h ASP 29 Ca -0.00 -0.33 -0.14 0.00 -0.73 0.00 0.00 57.03 55.83 3cpw h ASP 29 Cb 0.48 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.74 3cpw h ASP 29 CO 0.03 0.96 -0.60 -0.07 -1.03 0.00 0.00 179.24 178.53 3cpw h LEU 30 N 0.68 0.26 -0.09 0.15 3.38 -1.89 -2.43 115.31 115.37 3cpw h LEU 30 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3cpw h LEU 30 Cb 0.56 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3cpw h LEU 30 CO 0.03 0.80 -0.03 0.40 0.09 0.00 0.00 178.44 179.73 3cpw h ILE 31 N 0.17 1.31 -0.51 1.22 2.04 -1.01 -2.35 117.51 118.37 3cpw h ILE 31 Ca -0.01 -1.01 0.09 0.00 1.00 0.00 0.00 64.86 64.93 3cpw h ILE 31 Cb 1.10 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 3cpw h ILE 31 CO 0.09 0.29 0.35 1.23 0.00 0.00 0.00 178.15 180.11 3cpw h GLY 32 N -0.16 0.44 0.96 5.37 0.00 -0.62 -1.42 103.07 107.64 3cpw h GLY 32 Ca 0.02 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.08 3cpw h GLY 32 CO 0.01 0.09 -0.40 1.70 0.00 0.00 0.00 176.54 177.93 3cpw h LYS 33 N 0.32 0.65 -0.35 4.80 3.64 -1.26 -1.59 116.57 122.78 3cpw h LYS 33 Ca 0.24 -0.41 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 3cpw h LYS 33 Cb 0.51 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3cpw h LYS 33 CO -0.05 1.03 0.04 0.00 -2.27 0.00 0.00 179.45 178.20 3cpw h ALA 34 N 0.61 1.43 0.06 5.00 0.00 -0.75 -2.19 119.26 123.43 3cpw h ALA 34 Ca 0.01 -0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3cpw h ALA 34 Cb 1.00 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.67 3cpw h ALA 34 CO 0.09 0.41 -1.01 0.28 0.00 0.00 0.00 179.25 179.02 3cpw h VAL 35 N 0.51 1.33 -0.98 0.00 2.07 -1.28 -2.81 116.25 115.08 3cpw h VAL 35 Ca 0.11 -2.31 0.14 0.00 0.82 0.00 0.00 66.70 65.46 3cpw h VAL 35 Cb 0.26 2.62 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 3cpw h VAL 35 CO 0.00 0.70 0.60 -0.09 0.02 0.00 0.00 177.57 178.80 3cpw h ARG 36 N 0.18 0.87 -0.19 1.57 2.43 -0.96 -0.94 114.38 117.33 3cpw h ARG 36 Ca -0.14 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 58.85 3cpw h ARG 36 Cb 1.70 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 3cpw h ARG 36 CO 0.20 0.58 -0.37 0.00 -1.51 0.00 0.00 179.97 178.86 3cpw h ALA 37 N 1.56 0.31 -0.85 2.80 0.00 -1.42 -1.57 119.26 120.09 3cpw h ALA 37 Ca 0.51 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3cpw h ALA 37 Cb 0.59 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3cpw h ALA 37 CO -0.30 0.39 0.55 0.00 0.00 0.00 0.00 179.25 179.88 3cpw h ALA 38 N 0.60 1.37 -0.23 0.00 0.00 -1.11 0.21 119.26 120.09 3cpw h ALA 38 Ca 0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 3cpw h ALA 38 Cb 0.97 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cpw h ALA 38 CO 0.08 0.57 -0.46 1.96 0.00 0.00 0.00 179.25 181.41 3cpw h GLN 39 N 1.16 0.73 -0.38 0.00 4.20 -1.17 -3.21 115.11 116.44 3cpw h GLN 39 Ca 0.31 -0.47 -0.14 0.00 0.06 0.00 0.00 58.65 58.42 3cpw h GLN 39 Cb -0.11 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3cpw h GLN 39 CO -0.06 1.09 -0.31 0.00 -0.67 0.00 0.00 178.83 178.88 3cpw h ALA 40 N 0.63 0.74 0.00 3.87 0.00 -0.85 -3.16 119.26 120.50 3cpw h ALA 40 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3cpw h ALA 40 Cb 1.07 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3cpw h ALA 40 CO 0.10 0.66 0.00 0.09 0.00 0.00 0.00 179.25 180.10 3cpw n ASN 41 N -4.08 0.00 -0.55 0.00 3.02 0.71 -2.04 115.26 112.32 3cpw n ASN 41 Ca -0.01 0.43 0.07 0.00 -0.03 0.00 0.00 54.58 55.04 3cpw n ASN 41 Cb 0.49 -0.46 0.06 0.00 -0.61 0.00 0.00 39.78 39.26 3cpw n ASN 41 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3cpw n ARG 42 N -1.46 0.93 -2.31 3.52 1.85 -1.19 -4.98 116.66 113.02 3cpw n ARG 42 Ca 0.02 -1.33 -0.41 0.00 -1.00 0.00 0.00 57.85 55.14 3cpw n ARG 42 Cb 0.09 -1.26 -0.03 0.00 -1.05 0.00 0.00 32.46 30.21 3cpw n ARG 42 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3cpw s LYS 43 N -1.12 4.50 0.12 2.89 3.01 -0.87 -5.02 119.74 123.26 3cpw s LYS 43 Ca 0.16 1.99 -0.13 0.00 -1.01 0.00 0.00 55.97 56.98 3cpw s LYS 43 Cb 0.11 -3.14 -0.07 0.00 -1.01 0.00 0.00 37.83 33.72 3cpw s LYS 43 CO 0.17 0.00 0.50 -0.65 0.51 0.00 0.00 175.35 175.88 3cpw s GLN 44 N -1.42 3.91 0.40 1.68 -0.21 -1.26 -4.99 119.66 117.77 3cpw s GLN 44 Ca 0.48 0.39 -0.26 0.00 0.02 0.00 0.00 55.36 55.99 3cpw s GLN 44 Cb -0.35 -2.96 -0.09 0.00 1.00 0.00 0.00 33.01 30.61 3cpw s GLN 44 CO 0.45 0.51 1.27 -0.51 -2.12 0.00 0.00 175.29 174.89 3cpw s ASP 45 N -1.72 6.36 0.22 5.90 -0.00 -1.26 -5.03 116.67 121.14 3cpw s ASP 45 Ca 0.36 2.58 -0.00 0.00 -0.00 0.00 0.00 52.55 55.49 3cpw s ASP 45 Cb -0.15 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.14 3cpw s ASP 45 CO 0.19 -0.81 0.29 0.00 -0.00 0.00 0.00 175.17 174.84 3cpw n TYR 46 N 0.12 -0.99 0.00 4.23 0.18 -1.26 -5.01 117.16 114.43 3cpw n TYR 46 Ca 0.04 -1.51 0.00 0.00 1.88 0.00 0.00 57.90 58.31 3cpw n TYR 46 Cb 0.44 0.32 0.00 0.00 -0.38 0.00 0.00 39.34 39.73 3cpw n TYR 46 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3cpw n GLY 47 N -0.37 4.03 3.83 -7.48 0.00 -1.26 -1.76 105.19 102.18 3cpw n GLY 47 Ca 0.01 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 3cpw n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cpw s SER 48 N 0.00 4.86 0.03 1.61 1.04 -1.18 -4.88 113.70 115.19 3cpw s SER 48 Ca 0.00 1.30 -0.33 0.00 0.48 0.00 0.00 55.95 57.41 3cpw s SER 48 Cb 0.00 -2.07 -0.11 0.00 0.10 0.00 0.00 66.02 63.93 3cpw s SER 48 CO 0.00 -1.74 1.83 -0.67 0.98 0.00 0.00 173.24 173.64 3cpw n ASP 49 N -3.28 3.65 -0.32 7.02 -0.08 -1.26 -4.86 116.55 117.41 3cpw n ASP 49 Ca 0.07 0.99 0.19 0.00 -1.51 0.00 0.00 54.79 54.53 3cpw n ASP 49 Cb 0.56 -1.45 0.39 0.00 2.34 0.00 0.00 41.12 42.96 3cpw n ASP 49 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3cpw h GLU 50 N 8.64 0.30 -0.47 -0.67 4.39 -1.98 -0.79 114.58 123.99 3cpw h GLU 50 Ca -0.47 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3cpw h GLU 50 Cb 1.25 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3cpw h GLU 50 CO 0.94 0.20 0.00 0.66 -1.16 0.00 0.00 179.01 179.64 3cpw n TYR 51 N -5.10 0.62 -1.68 4.33 4.02 -1.26 -4.93 117.16 113.15 3cpw n TYR 51 Ca 0.27 -0.31 -0.44 0.00 -0.01 0.00 0.00 57.90 57.41 3cpw n TYR 51 Cb 0.84 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.12 3cpw n TYR 51 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3cpw n ALA 52 N 1.35 1.72 -0.00 -0.72 0.00 -0.31 -0.83 120.51 121.72 3cpw n ALA 52 Ca 0.20 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3cpw n ALA 52 Cb 0.56 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.48 3cpw n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 53 N 4.12 1.82 1.07 0.00 0.00 -1.26 -4.29 105.19 106.64 3cpw n GLY 53 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 3cpw n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cpw n LEU 54 N 0.00 3.25 -3.66 0.99 4.77 -0.01 -3.70 117.00 118.63 3cpw n LEU 54 Ca 0.00 -1.26 -0.41 0.00 -0.03 0.00 0.00 56.01 54.31 3cpw n LEU 54 Cb 0.00 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3cpw n LEU 54 CO 0.00 0.63 2.32 0.54 -1.33 0.00 0.00 177.39 179.55 3cpw n ARG 55 N 1.43 3.92 -3.57 3.23 1.74 -1.24 -4.85 116.66 117.32 3cpw n ARG 55 Ca 0.17 -3.30 -0.13 0.00 -0.77 0.00 0.00 57.85 53.82 3cpw n ARG 55 Cb 0.61 -2.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.15 3cpw n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3cpw s THR 56 N 0.22 0.00 -1.05 0.55 -1.32 -1.26 -5.02 115.64 107.76 3cpw s THR 56 Ca 0.48 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.10 3cpw s THR 56 Cb 0.14 -1.00 0.61 0.00 -1.51 0.00 0.00 72.50 70.74 3cpw s THR 56 CO -0.05 0.00 1.48 -0.81 -2.21 0.00 0.00 174.62 173.03 3cpw n PRO 57 N 1.16 3.43 -1.31 7.08 -0.04 -1.26 -5.00 135.00 139.06 3cpw n PRO 57 Ca -0.13 -2.38 -0.48 0.00 -0.04 0.00 0.00 63.50 60.46 3cpw n PRO 57 Cb 0.57 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 3cpw n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cpw n ALA 58 N 0.81 -3.03 -2.41 0.55 0.00 -1.26 -4.99 120.51 110.18 3cpw n ALA 58 Ca 0.21 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.96 3cpw n ALA 58 Cb 0.81 -1.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 3cpw n ALA 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cpw s GLU 59 N -0.46 1.04 0.04 0.00 2.02 -0.75 -4.64 118.70 115.94 3cpw s GLU 59 Ca 0.70 -1.32 -0.19 0.00 0.02 0.00 0.00 54.97 54.18 3cpw s GLU 59 Cb -0.99 -0.79 -0.06 0.00 0.10 0.00 0.00 34.13 32.39 3cpw s GLU 59 CO 0.51 0.13 0.56 0.45 0.02 0.00 0.00 175.26 176.93 3cpw s SER 60 N -2.74 7.01 0.30 -0.19 0.15 -1.26 0.24 113.70 117.21 3cpw s SER 60 Ca 0.12 1.19 0.25 0.00 0.70 0.00 0.00 55.95 58.22 3cpw s SER 60 Cb -0.02 -2.35 0.71 0.00 -1.71 0.00 0.00 66.02 62.65 3cpw s SER 60 CO 0.02 0.22 1.73 -0.26 1.20 0.00 0.00 173.24 176.16 3cpw h PHE 61 N 4.92 0.00 -0.10 3.44 -1.00 -1.90 -3.49 116.94 118.82 3cpw h PHE 61 Ca -0.48 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.30 3cpw h PHE 61 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 3cpw h PHE 61 CO 0.67 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.78 3cpw n GLY 62 N 1.07 -0.35 3.79 -1.45 0.00 -1.26 -4.81 105.19 102.17 3cpw n GLY 62 Ca 0.05 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 3cpw n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cpw s SER 63 N -4.00 5.76 0.00 1.61 0.01 -1.26 -4.54 113.70 111.28 3cpw s SER 63 Ca 0.00 1.92 0.00 0.00 1.31 0.00 0.00 55.95 59.18 3cpw s SER 63 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 3cpw s SER 63 CO 0.00 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.08 3cpw n GLY 64 N -0.61 3.11 1.05 3.44 0.00 -1.26 -4.99 105.19 105.92 3cpw n GLY 64 Ca 0.09 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.49 3cpw n GLY 64 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3cpw n ARG 65 N 0.00 2.18 -3.18 1.61 1.85 -1.26 -4.95 116.66 112.90 3cpw n ARG 65 Ca 0.00 -3.55 -0.23 0.00 -1.00 0.00 0.00 57.85 53.07 3cpw n ARG 65 Cb 0.00 -1.80 0.02 0.00 -1.05 0.00 0.00 32.46 29.63 3cpw n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cpw n GLY 66 N -0.97 -0.50 3.34 2.89 0.00 -1.26 -4.97 105.19 103.71 3cpw n GLY 66 Ca 0.26 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 3cpw n GLY 66 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cpw s GLN 67 N -5.84 1.29 0.37 1.61 0.74 -1.26 -5.12 119.66 111.45 3cpw s GLN 67 Ca 0.34 -1.38 -0.26 0.00 0.05 0.00 0.00 55.36 54.12 3cpw s GLN 67 Cb -0.17 -1.43 -0.09 0.00 1.10 0.00 0.00 33.01 32.42 3cpw s GLN 67 CO 0.43 0.30 1.09 0.00 -0.55 0.00 0.00 175.29 176.56 3cpw s ALA 68 N -1.82 3.17 -1.04 1.58 0.00 -1.26 -4.84 121.76 117.54 3cpw s ALA 68 Ca 0.15 0.81 -0.22 0.00 0.00 0.00 0.00 51.96 52.69 3cpw s ALA 68 Cb -0.07 -3.31 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 3cpw s ALA 68 CO 0.07 -0.28 1.92 0.72 0.00 0.00 0.00 175.76 178.19 3cpw n HIS 69 N 0.25 2.49 -5.15 0.00 -0.00 -1.26 -4.86 115.22 106.69 3cpw n HIS 69 Ca 0.03 -1.62 -0.31 0.00 -0.00 0.00 0.00 57.72 55.82 3cpw n HIS 69 Cb 0.48 -2.30 -0.17 0.00 -0.00 0.00 0.00 29.99 28.00 3cpw n HIS 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3cpw s VAL 70 N 8.74 1.94 0.18 1.59 1.01 -1.26 -4.98 120.40 127.63 3cpw s VAL 70 Ca 0.64 -0.97 -0.33 0.00 0.00 0.00 0.00 61.98 61.32 3cpw s VAL 70 Cb 0.05 -1.67 -0.13 0.00 0.00 0.00 0.00 36.38 34.62 3cpw s VAL 70 CO 0.13 0.54 1.59 -2.65 0.00 0.00 0.00 175.10 174.71 3cpw n PRO 71 N 3.38 2.27 -4.13 2.72 -0.02 -1.26 -4.34 135.00 133.61 3cpw n PRO 71 Ca -0.19 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 61.95 3cpw n PRO 71 Cb 0.53 -2.59 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 3cpw n PRO 71 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3cpw s LYS 72 N 0.83 0.63 -0.07 -0.52 1.02 0.14 -0.69 119.74 121.07 3cpw s LYS 72 Ca 0.77 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 56.03 3cpw s LYS 72 Cb -0.64 -0.50 0.02 0.00 -0.52 0.00 0.00 37.83 36.19 3cpw s LYS 72 CO 0.38 0.11 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.70 3cpw s GLN 73 N -1.41 1.29 -1.53 1.68 2.00 -0.16 -1.81 119.66 119.72 3cpw s GLN 73 Ca -0.06 -0.23 -0.10 0.00 -2.00 0.00 0.00 55.36 52.98 3cpw s GLN 73 Cb -0.09 -1.24 0.08 0.00 0.80 0.00 0.00 33.01 32.56 3cpw s GLN 73 CO 0.01 -0.11 0.73 -0.25 -0.50 0.00 0.00 175.29 175.16 3cpw n ASP 74 N 4.31 -2.64 -2.18 6.67 8.00 -1.26 -1.07 116.55 128.38 3cpw n ASP 74 Ca -0.19 -0.92 -0.19 0.00 0.71 0.00 0.00 54.79 54.20 3cpw n ASP 74 Cb 0.51 -3.31 -0.03 0.00 -0.02 0.00 0.00 41.12 38.27 3cpw n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cpw n GLY 75 N -1.67 0.11 2.93 0.44 0.00 -1.26 -4.97 105.19 100.76 3cpw n GLY 75 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 3cpw n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cpw s ARG 76 N -4.65 1.36 0.44 1.61 3.52 -0.23 -5.10 118.95 115.89 3cpw s ARG 76 Ca 0.00 -0.24 -0.25 0.00 -0.13 0.00 0.00 55.73 55.11 3cpw s ARG 76 Cb 0.00 -1.32 -0.08 0.00 -1.56 0.00 0.00 34.95 31.99 3cpw s ARG 76 CO 0.00 -0.14 1.31 0.00 -0.81 0.00 0.00 175.30 175.67 3cpw s ALA 77 N 1.23 3.16 0.37 6.12 0.00 -1.26 -0.99 121.76 130.39 3cpw s ALA 77 Ca -0.05 1.24 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 3cpw s ALA 77 Cb -0.14 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.51 3cpw s ALA 77 CO -0.02 -0.93 0.61 0.54 0.00 0.00 0.00 175.76 175.96 3cpw n ARG 78 N -0.15 0.88 0.00 0.00 1.74 0.14 -4.70 116.66 114.56 3cpw n ARG 78 Ca 0.05 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.50 3cpw n ARG 78 Cb 0.44 2.77 0.00 0.00 -1.02 0.00 0.00 32.46 34.65 3cpw n ARG 78 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3cpw n ARG 79 N -0.57 0.00 -1.52 5.56 0.63 -1.24 -4.51 116.66 115.00 3cpw n ARG 79 Ca -0.03 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.49 3cpw n ARG 79 Cb 0.60 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.53 3cpw n ARG 79 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3cpw n VAL 80 N 0.00 2.24 -0.24 5.15 0.24 -1.26 0.15 118.33 124.61 3cpw n VAL 80 Ca 0.00 -0.50 0.20 0.00 -2.04 0.00 0.00 64.34 62.00 3cpw n VAL 80 Cb 0.00 -0.82 0.53 0.00 -1.47 0.00 0.00 33.84 32.08 3cpw n VAL 80 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3cpw h PRO 81 N 0.93 0.37 -0.00 7.34 0.11 -1.90 -1.14 132.00 137.71 3cpw h PRO 81 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cpw h PRO 81 Cb 1.38 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3cpw h PRO 81 CO 0.53 0.24 -0.08 0.00 -0.21 0.00 0.00 178.00 178.48 3cpw n GLN 82 N -4.50 0.75 -3.41 1.05 0.00 -1.26 -4.82 117.38 105.19 3cpw n GLN 82 Ca 0.19 -0.23 -0.38 0.00 0.00 0.00 0.00 57.00 56.58 3cpw n GLN 82 Cb 0.72 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.40 3cpw n GLN 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3cpw s ALA 83 N -2.41 3.61 0.28 2.61 0.00 -0.43 -5.02 121.76 120.41 3cpw s ALA 83 Ca 0.31 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.80 3cpw s ALA 83 Cb 0.20 -2.51 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 3cpw s ALA 83 CO 0.45 0.32 1.55 0.08 0.00 0.00 0.00 175.76 178.16 3cpw s VAL 84 N -0.55 2.23 0.00 0.00 1.01 -1.26 -0.11 120.40 121.72 3cpw s VAL 84 Ca 0.25 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3cpw s VAL 84 Cb -0.17 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.09 3cpw s VAL 84 CO 0.13 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.55 3cpw n LYS 85 N 2.21 -0.09 -2.11 2.72 4.76 -1.26 -4.74 118.16 119.65 3cpw n LYS 85 Ca 0.08 0.02 -0.27 0.00 -2.87 0.00 0.00 58.31 55.27 3cpw n LYS 85 Cb 0.38 -2.95 0.07 0.00 -1.84 0.00 0.00 35.03 30.69 3cpw n LYS 85 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3cpw s GLY 86 N -2.00 1.65 0.83 0.72 0.00 0.85 -4.46 107.32 104.90 3cpw s GLY 86 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.82 3cpw s GLY 86 CO 0.00 -0.37 1.12 1.09 0.00 0.00 0.00 173.10 174.94 3cpw s ARG 87 N -5.33 1.74 -0.12 2.90 1.70 0.39 -4.76 118.95 115.47 3cpw s ARG 87 Ca 0.60 1.38 -0.27 0.00 -0.47 0.00 0.00 55.73 56.97 3cpw s ARG 87 Cb -0.11 -1.82 -0.02 0.00 -0.57 0.00 0.00 34.95 32.43 3cpw s ARG 87 CO 0.46 -2.06 0.89 0.45 -1.08 0.00 0.00 175.30 173.96 3cpw s SER 88 N -2.96 7.09 0.06 -2.89 0.15 -1.26 -3.95 113.70 109.94 3cpw s SER 88 Ca 0.65 1.34 -0.30 0.00 0.70 0.00 0.00 55.95 58.33 3cpw s SER 88 Cb -0.20 -2.50 -0.18 0.00 -1.71 0.00 0.00 66.02 61.43 3cpw s SER 88 CO 0.55 -0.38 1.57 0.00 1.20 0.00 0.00 173.24 176.18 3cpw h ALA 89 N 7.14 -0.72 -2.06 5.45 0.00 -1.94 -3.38 119.26 123.76 3cpw h ALA 89 Ca -0.32 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 3cpw h ALA 89 Cb 1.15 0.28 -0.40 0.00 0.00 0.00 0.00 17.79 18.82 3cpw h ALA 89 CO 0.83 -0.88 -0.94 0.72 0.00 0.00 0.00 179.25 178.99 3cpw n HIS 90 N -5.38 1.00 -1.76 0.00 8.25 -1.26 -5.12 115.22 110.95 3cpw n HIS 90 Ca -0.12 -3.76 -0.29 0.00 -0.26 0.00 0.00 57.72 53.28 3cpw n HIS 90 Cb 0.31 -0.42 0.16 0.00 1.12 0.00 0.00 29.99 31.16 3cpw n HIS 90 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3cpw s PRO 91 N -1.64 0.81 0.38 -0.41 0.04 -1.26 -5.01 135.00 127.91 3cpw s PRO 91 Ca 0.37 -0.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.01 3cpw s PRO 91 Cb 0.17 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.77 3cpw s PRO 91 CO -0.08 -2.34 1.37 -2.14 0.04 0.00 0.00 177.00 173.85 3cpw s PRO 92 N -5.66 4.09 -0.05 0.56 0.02 -1.26 -4.96 135.00 127.75 3cpw s PRO 92 Ca 0.69 2.31 0.05 0.00 0.02 0.00 0.00 61.00 64.07 3cpw s PRO 92 Cb -0.08 -2.90 -0.00 0.00 0.02 0.00 0.00 34.50 31.54 3cpw s PRO 92 CO 0.52 -0.44 -0.18 0.15 -0.33 0.00 0.00 177.00 176.71 3cpw s LYS 93 N -2.09 1.91 0.24 5.54 1.02 -1.25 -3.08 119.74 122.04 3cpw s LYS 93 Ca 0.54 -0.66 -0.05 0.00 0.02 0.00 0.00 55.97 55.81 3cpw s LYS 93 Cb -0.41 -1.65 0.34 0.00 -0.52 0.00 0.00 37.83 35.59 3cpw s LYS 93 CO 0.55 0.27 1.83 1.15 -0.92 0.00 0.00 175.35 178.23 3cpw h THR 94 N 5.22 0.99 0.00 2.17 2.02 -1.68 -2.54 112.91 119.08 3cpw h THR 94 Ca -0.32 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.55 3cpw h THR 94 Cb 1.17 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3cpw h THR 94 CO 0.48 0.16 -0.00 -0.33 0.37 0.00 0.00 175.52 176.19 3cpw h GLU 95 N 0.88 0.00 -6.61 6.66 3.07 -1.96 -3.44 114.58 113.18 3cpw h GLU 95 Ca 0.37 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.71 3cpw h GLU 95 Cb 0.24 0.00 0.05 0.00 -0.84 0.00 0.00 28.75 28.20 3cpw h GLU 95 CO -0.20 0.00 1.04 1.17 -1.40 0.00 0.00 179.01 179.63 3cpw n LYS 96 N -3.21 2.77 -2.48 2.33 4.81 -0.96 -4.92 118.16 116.51 3cpw n LYS 96 Ca -0.03 1.00 -0.42 0.00 -0.87 0.00 0.00 58.31 58.00 3cpw n LYS 96 Cb 0.09 -2.87 -0.02 0.00 0.02 0.00 0.00 35.03 32.25 3cpw n LYS 96 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3cpw s ASP 97 N 1.67 6.29 -0.12 3.14 3.68 -1.26 -4.87 116.67 125.19 3cpw s ASP 97 Ca 0.77 0.21 0.16 0.00 2.13 0.00 0.00 52.55 55.82 3cpw s ASP 97 Cb -0.50 -2.55 0.66 0.00 -1.45 0.00 0.00 42.92 39.08 3cpw s ASP 97 CO 0.34 -1.59 1.55 0.54 0.13 0.00 0.00 175.17 176.14 3cpw n ARG 98 N 8.55 3.64 -3.80 4.34 1.74 -1.26 -4.95 116.66 124.91 3cpw n ARG 98 Ca 0.11 -2.60 -0.21 0.00 -0.77 0.00 0.00 57.85 54.38 3cpw n ARG 98 Cb 0.49 -1.90 -0.02 0.00 -1.02 0.00 0.00 32.46 30.02 3cpw n ARG 98 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3cpw s SER 99 N -0.82 6.24 -0.05 0.55 1.04 -1.26 -4.56 113.70 114.84 3cpw s SER 99 Ca 0.46 0.06 0.05 0.00 0.48 0.00 0.00 55.95 57.00 3cpw s SER 99 Cb 0.31 -1.75 -0.00 0.00 0.10 0.00 0.00 66.02 64.68 3cpw s SER 99 CO 0.21 -0.17 -0.20 -0.76 0.98 0.00 0.00 173.24 173.29 3cpw s LEU 100 N -4.06 1.97 0.37 2.42 1.43 -1.26 -5.01 118.68 114.54 3cpw s LEU 100 Ca 0.37 -0.42 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 3cpw s LEU 100 Cb -0.09 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.93 3cpw s LEU 100 CO 0.30 0.18 0.67 -1.81 0.23 0.00 0.00 176.35 175.92 3cpw s ASP 101 N 0.02 6.41 -0.26 2.29 1.11 -1.26 -4.91 116.67 120.06 3cpw s ASP 101 Ca -0.05 0.85 -0.09 0.00 0.18 0.00 0.00 52.55 53.43 3cpw s ASP 101 Cb -0.13 -2.20 0.11 0.00 1.07 0.00 0.00 42.92 41.77 3cpw s ASP 101 CO 0.03 -0.35 0.57 -0.22 1.18 0.00 0.00 175.17 176.38 3cpw s LEU 102 N -3.99 -0.94 0.38 1.23 2.96 -1.26 -5.05 118.68 112.02 3cpw s LEU 102 Ca 0.46 1.36 -0.27 0.00 -0.22 0.00 0.00 54.13 55.47 3cpw s LEU 102 Cb -0.10 1.97 -0.11 0.00 0.50 0.00 0.00 46.19 48.45 3cpw s LEU 102 CO 0.34 -0.22 1.34 0.59 -1.32 0.00 0.00 176.35 177.08 3cpw n ASN 103 N 5.31 2.96 -0.35 3.68 3.02 -1.26 -4.81 115.26 123.80 3cpw n ASN 103 Ca -0.12 1.17 0.02 0.00 -0.03 0.00 0.00 54.58 55.63 3cpw n ASN 103 Cb 0.50 -1.53 0.17 0.00 -0.61 0.00 0.00 39.78 38.31 3cpw n ASN 103 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3cpw h ASP 104 N 2.46 0.98 0.03 6.41 3.32 -2.00 -0.49 116.42 127.13 3cpw h ASP 104 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 3cpw h ASP 104 Cb 1.28 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3cpw h ASP 104 CO 0.62 0.62 -0.01 0.11 -1.72 0.00 0.00 179.24 178.85 3cpw h LYS 105 N 1.11 -0.04 -0.72 3.56 1.57 -1.99 0.77 116.57 120.85 3cpw h LYS 105 Ca 0.42 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.30 3cpw h LYS 105 Cb 0.18 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 3cpw h LYS 105 CO -0.18 0.16 0.47 1.49 -0.57 0.00 0.00 179.45 180.82 3cpw h GLU 106 N -0.23 0.57 -0.03 3.15 4.81 -1.83 0.86 114.58 121.88 3cpw h GLU 106 Ca -0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3cpw h GLU 106 Cb 0.22 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3cpw h GLU 106 CO 0.01 0.38 -0.37 -0.09 -0.73 0.00 0.00 179.01 178.21 3cpw h ARG 107 N 0.59 0.31 -0.39 1.92 2.43 -0.67 -2.88 114.38 115.68 3cpw h ARG 107 Ca 0.33 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 3cpw h ARG 107 Cb 0.50 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 3cpw h ARG 107 CO -0.11 0.96 0.08 1.96 -1.51 0.00 0.00 179.97 181.35 3cpw h GLN 108 N -0.24 0.58 -0.78 0.20 4.20 -0.39 -1.05 115.11 117.63 3cpw h GLN 108 Ca -0.04 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 3cpw h GLN 108 Cb 1.06 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.71 3cpw h GLN 108 CO 0.07 0.54 0.36 1.25 -0.67 0.00 0.00 178.83 180.39 3cpw h LEU 109 N 0.56 1.04 -0.77 1.46 5.85 -0.86 -1.51 115.31 121.08 3cpw h LEU 109 Ca 0.13 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3cpw h LEU 109 Cb 0.24 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3cpw h LEU 109 CO -0.00 0.90 -0.21 0.00 -0.34 0.00 0.00 178.44 178.79 3cpw h ALA 110 N 1.19 0.95 -0.10 1.25 0.00 -1.09 -0.21 119.26 121.26 3cpw h ALA 110 Ca 0.27 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3cpw h ALA 110 Cb 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3cpw h ALA 110 CO -0.03 0.61 0.05 0.28 0.00 0.00 0.00 179.25 180.16 3cpw h VAL 111 N 0.62 1.11 -0.47 0.00 2.07 -0.71 0.87 116.25 119.73 3cpw h VAL 111 Ca 0.09 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3cpw h VAL 111 Cb 0.69 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3cpw h VAL 111 CO 0.05 0.09 0.29 0.03 0.02 0.00 0.00 177.57 178.06 3cpw h ARG 112 N 0.04 0.57 -0.34 1.57 3.08 -1.15 -0.46 114.38 117.69 3cpw h ARG 112 Ca 0.03 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3cpw h ARG 112 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3cpw h ARG 112 CO -0.00 0.38 0.04 1.03 -1.07 0.00 0.00 179.97 180.35 3cpw h SER 113 N 0.59 0.47 0.17 7.04 0.87 -0.77 -0.72 113.55 121.20 3cpw h SER 113 Ca 0.18 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 3cpw h SER 113 Cb -0.01 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3cpw h SER 113 CO -0.07 0.51 -0.58 0.00 -0.53 0.00 0.00 176.83 176.15 3cpw h ALA 114 N 1.56 0.75 0.26 6.23 0.00 -0.12 -1.67 119.26 126.27 3cpw h ALA 114 Ca 0.11 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3cpw h ALA 114 Cb 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cpw h ALA 114 CO 0.00 0.70 -0.12 1.25 0.00 0.00 0.00 179.25 181.08 3cpw h LEU 115 N 0.32 -0.29 -1.05 0.00 5.85 -0.37 -2.79 115.31 116.99 3cpw h LEU 115 Ca -0.00 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.77 3cpw h LEU 115 Cb 1.11 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 3cpw h LEU 115 CO 0.10 -0.16 0.63 0.00 -0.34 0.00 0.00 178.44 178.67 3cpw h ALA 116 N 0.33 1.47 -0.01 1.25 0.00 -1.03 0.18 119.26 121.45 3cpw h ALA 116 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3cpw h ALA 116 Cb 0.30 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cpw h ALA 116 CO 0.06 0.36 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3cpw h ALA 117 N 1.49 1.19 0.00 0.00 0.00 -1.03 -1.77 119.26 119.13 3cpw h ALA 117 Ca 0.44 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 3cpw h ALA 117 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3cpw h ALA 117 CO -0.19 -0.03 -0.39 1.15 0.00 0.00 0.00 179.25 179.79 3cpw h THR 118 N 0.00 1.03 -0.40 0.00 2.02 -0.49 -3.19 112.91 111.88 3cpw h THR 118 Ca 0.00 -1.47 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 3cpw h THR 118 Cb 0.05 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 3cpw h THR 118 CO -0.00 0.38 0.11 0.00 0.37 0.00 0.00 175.52 176.38 3cpw n ALA 119 N -2.35 3.59 -3.81 6.16 0.00 -0.67 -3.35 120.51 120.08 3cpw n ALA 119 Ca -0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 53.44 51.87 3cpw n ALA 119 Cb 0.48 -1.13 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 3cpw n ALA 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cpw s ASP 120 N -0.41 3.93 0.32 0.00 -1.08 -1.20 -4.69 116.67 113.54 3cpw s ASP 120 Ca 0.32 -2.81 0.06 0.00 -0.52 0.00 0.00 52.55 49.60 3cpw s ASP 120 Cb 0.25 -1.29 0.88 0.00 -1.46 0.00 0.00 42.92 41.30 3cpw s ASP 120 CO 0.08 -0.25 1.57 0.00 0.52 0.00 0.00 175.17 177.10 3cpw h ALA 121 N 6.61 1.38 -0.35 3.66 0.00 -1.84 0.18 119.26 128.90 3cpw h ALA 121 Ca -0.04 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3cpw h ALA 121 Cb 0.91 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 3cpw h ALA 121 CO 0.57 -0.65 0.21 -0.44 0.00 0.00 0.00 179.25 178.94 3cpw h ASP 122 N 0.01 0.33 0.34 0.00 3.32 -1.94 0.84 116.42 119.33 3cpw h ASP 122 Ca 0.65 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.69 3cpw h ASP 122 Cb 1.44 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.93 3cpw h ASP 122 CO -0.89 0.24 -0.18 -0.07 -1.72 0.00 0.00 179.24 176.62 3cpw h LEU 123 N 0.42 -0.44 -1.25 1.55 3.38 -1.04 0.13 115.31 118.06 3cpw h LEU 123 Ca 0.14 0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.31 3cpw h LEU 123 Cb -0.00 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3cpw h LEU 123 CO -0.06 -0.30 0.60 0.58 0.09 0.00 0.00 178.44 179.35 3cpw h VAL 124 N -0.49 0.74 -0.04 1.22 2.07 -0.97 0.20 116.25 118.98 3cpw h VAL 124 Ca -0.04 -0.22 -0.21 0.00 0.82 0.00 0.00 66.70 67.05 3cpw h VAL 124 Cb 0.39 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3cpw h VAL 124 CO 0.06 0.12 -0.84 0.00 0.02 0.00 0.00 177.57 176.93 3cpw h ALA 125 N 1.61 0.46 -0.43 1.67 0.00 -0.34 -3.15 119.26 119.08 3cpw h ALA 125 Ca 0.51 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3cpw h ALA 125 Cb 0.93 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3cpw h ALA 125 CO -0.26 0.79 0.13 -0.44 0.00 0.00 0.00 179.25 179.46 3cpw h ASP 126 N 0.27 0.64 -0.26 0.00 3.32 0.20 -2.15 116.42 118.44 3cpw h ASP 126 Ca -0.06 -0.21 0.07 0.00 0.02 0.00 0.00 57.03 56.85 3cpw h ASP 126 Cb 1.45 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 3cpw h ASP 126 CO 0.15 0.69 0.38 -0.09 -1.72 0.00 0.00 179.24 178.64 3cpw h ARG 127 N 0.56 0.00 0.00 3.56 2.43 -0.74 -3.45 114.38 116.75 3cpw h ARG 127 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3cpw h ARG 127 Cb 0.28 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3cpw h ARG 127 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 3cpw n GLY 128 N -1.39 1.91 3.66 2.80 0.00 -0.81 -5.11 105.19 106.25 3cpw n GLY 128 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3cpw n GLY 128 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3cpw n HIS 129 N 0.00 1.56 -3.72 1.61 8.25 -1.19 -4.99 115.22 116.74 3cpw n HIS 129 Ca 0.00 0.49 -0.37 0.00 -0.26 0.00 0.00 57.72 57.58 3cpw n HIS 129 Cb 0.00 -2.27 -0.12 0.00 1.12 0.00 0.00 29.99 28.71 3cpw n HIS 129 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3cpw s GLU 130 N -2.37 3.47 0.20 -0.41 0.41 -1.26 -4.63 118.70 114.10 3cpw s GLU 130 Ca 0.67 -0.61 -0.23 0.00 -0.41 0.00 0.00 54.97 54.39 3cpw s GLU 130 Cb -0.49 -3.41 0.05 0.00 -1.78 0.00 0.00 34.13 28.50 3cpw s GLU 130 CO 0.54 -0.30 0.68 -0.59 -0.49 0.00 0.00 175.26 175.09 3cpw s PHE 131 N 1.60 -0.38 -0.48 1.61 -0.12 -1.26 -1.68 117.98 117.27 3cpw s PHE 131 Ca 0.05 0.07 0.08 0.00 -0.05 0.00 0.00 56.93 57.08 3cpw s PHE 131 Cb -0.16 0.62 0.36 0.00 -0.63 0.00 0.00 43.02 43.21 3cpw s PHE 131 CO 0.04 -0.98 0.91 -0.25 -0.05 0.00 0.00 175.22 174.89 3cpw n ASP 132 N -0.41 3.28 -4.27 1.98 8.00 -0.88 -5.06 116.55 119.18 3cpw n ASP 132 Ca -0.11 -3.43 -0.15 0.00 0.71 0.00 0.00 54.79 51.81 3cpw n ASP 132 Cb 0.62 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 41.06 3cpw n ASP 132 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cpw s ARG 133 N -3.17 1.12 -0.23 -1.24 3.52 -1.26 -4.88 118.95 112.82 3cpw s ARG 133 Ca 0.45 -1.49 -0.09 0.00 -0.13 0.00 0.00 55.73 54.47 3cpw s ARG 133 Cb 0.33 -0.72 -0.11 0.00 -1.56 0.00 0.00 34.95 32.89 3cpw s ARG 133 CO -0.12 0.09 -0.27 -0.25 -0.81 0.00 0.00 175.30 173.94 3cpw n ASP 134 N -0.24 1.77 -4.79 -2.12 8.00 -1.26 -4.98 116.55 112.93 3cpw n ASP 134 Ca -0.10 0.20 -0.36 0.00 0.71 0.00 0.00 54.79 55.24 3cpw n ASP 134 Cb 0.61 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3cpw n ASP 134 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3cpw s GLU 135 N -2.42 4.30 -0.25 -1.24 2.02 -1.26 -4.70 118.70 115.15 3cpw s GLU 135 Ca -0.31 1.38 -0.26 0.00 0.02 0.00 0.00 54.97 55.79 3cpw s GLU 135 Cb 0.11 -2.55 0.12 0.00 0.10 0.00 0.00 34.13 31.92 3cpw s GLU 135 CO 0.42 0.01 1.03 0.54 0.02 0.00 0.00 175.26 177.28 3cpw s VAL 136 N -1.74 0.00 0.95 2.63 0.11 -1.26 -4.67 120.40 116.41 3cpw s VAL 136 Ca 0.56 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.50 3cpw s VAL 136 Cb -0.18 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.82 3cpw s VAL 136 CO 0.24 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 170.93 3cpw s PRO 137 N -0.09 0.84 -0.23 1.54 0.04 -1.21 -4.27 135.00 131.63 3cpw s PRO 137 Ca 0.02 0.80 -0.25 0.00 0.04 0.00 0.00 61.00 61.61 3cpw s PRO 137 Cb -0.04 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.73 3cpw s PRO 137 CO -0.05 -2.52 0.83 0.08 0.04 0.00 0.00 177.00 175.38 3cpw s VAL 138 N -2.88 4.85 -0.10 -0.36 1.01 -1.11 -4.94 120.40 116.88 3cpw s VAL 138 Ca 0.64 1.58 -0.04 0.00 0.00 0.00 0.00 61.98 64.16 3cpw s VAL 138 Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3cpw s VAL 138 CO 0.58 -0.05 0.07 -0.69 0.00 0.00 0.00 175.10 175.01 3cpw s VAL 139 N 2.67 4.87 0.07 2.92 1.01 -1.26 0.03 120.40 130.71 3cpw s VAL 139 Ca 0.36 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3cpw s VAL 139 Cb -0.16 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 3cpw s VAL 139 CO 0.08 0.60 -0.07 -0.69 0.00 0.00 0.00 175.10 175.03 3cpw s VAL 140 N -0.97 0.58 0.71 2.92 1.01 -1.02 -2.30 120.40 121.33 3cpw s VAL 140 Ca 0.15 -1.58 -0.15 0.00 0.00 0.00 0.00 61.98 60.39 3cpw s VAL 140 Cb -0.12 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.06 3cpw s VAL 140 CO 0.04 -0.69 1.20 -0.94 0.00 0.00 0.00 175.10 174.70 3cpw s SER 141 N -2.45 4.38 0.00 3.32 1.04 -0.14 0.39 113.70 120.23 3cpw s SER 141 Ca 0.03 2.34 0.07 0.00 0.48 0.00 0.00 55.95 58.86 3cpw s SER 141 Cb -0.01 -2.59 0.35 0.00 0.10 0.00 0.00 66.02 63.88 3cpw s SER 141 CO -0.03 -2.14 1.08 0.47 0.98 0.00 0.00 173.24 173.59 3cpw n ASP 142 N -2.57 0.00 0.15 7.02 8.00 -1.26 -1.74 116.55 126.15 3cpw n ASP 142 Ca 0.13 0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.94 3cpw n ASP 142 Cb 0.50 -0.28 0.51 0.00 -0.02 0.00 0.00 41.12 41.83 3cpw n ASP 142 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3cpw h ASP 143 N 0.00 0.00 -0.67 -2.24 3.32 -1.97 -2.49 116.42 112.37 3cpw h ASP 143 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3cpw h ASP 143 Cb 0.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 3cpw h ASP 143 CO 0.00 0.00 0.44 0.15 -1.72 0.00 0.00 179.24 178.11 3cpw h PHE 144 N 0.00 0.76 0.00 4.55 3.57 -1.70 -0.01 116.94 124.12 3cpw h PHE 144 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3cpw h PHE 144 Cb 0.40 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3cpw h PHE 144 CO 0.00 0.44 0.00 0.39 -2.23 0.00 0.00 178.31 176.91 3cpw n GLU 145 N -4.46 0.07 0.00 1.11 1.02 -0.94 -2.02 120.64 115.42 3cpw n GLU 145 Ca 0.09 0.28 0.10 0.00 -0.02 0.00 0.00 57.16 57.61 3cpw n GLU 145 Cb 0.15 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.99 3cpw n GLU 145 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3cpw n ASP 146 N -1.37 1.40 -4.71 1.62 8.00 -0.02 -4.97 116.55 116.51 3cpw n ASP 146 Ca 0.03 -1.20 -0.32 0.00 0.71 0.00 0.00 54.79 54.01 3cpw n ASP 146 Cb 0.07 0.80 0.13 0.00 -0.02 0.00 0.00 41.12 42.10 3cpw n ASP 146 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cpw s LEU 147 N -2.79 2.99 0.00 0.64 1.43 -0.85 -4.96 118.68 115.14 3cpw s LEU 147 Ca 0.12 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 3cpw s LEU 147 Cb 0.17 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.83 3cpw s LEU 147 CO 0.75 -2.66 0.00 0.52 0.23 0.00 0.00 176.35 175.19 3cpw n VAL 148 N -3.73 0.00 -2.83 -1.59 0.31 -1.26 -4.61 118.33 104.61 3cpw n VAL 148 Ca 0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 64.04 3cpw n VAL 148 Cb 0.52 -0.46 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 3cpw n VAL 148 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3cpw s LYS 149 N -1.62 4.66 0.09 5.55 -0.14 -1.26 -4.17 119.74 122.86 3cpw s LYS 149 Ca 0.00 1.32 -0.23 0.00 -1.36 0.00 0.00 55.97 55.70 3cpw s LYS 149 Cb 0.00 -3.34 -0.14 0.00 -1.68 0.00 0.00 37.83 32.67 3cpw s LYS 149 CO 0.00 0.34 1.73 1.15 -0.76 0.00 0.00 175.35 177.81 3cpw h THR 150 N 3.79 0.95 -0.96 2.17 2.02 -1.92 -2.21 112.91 116.76 3cpw h THR 150 Ca -0.44 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.00 3cpw h THR 150 Cb 1.21 0.95 -0.06 0.00 -1.74 0.00 0.00 68.15 68.51 3cpw h THR 150 CO 0.70 0.00 0.66 1.56 0.37 0.00 0.00 175.52 178.81 3cpw h GLN 151 N -0.03 0.18 -0.03 6.66 1.08 -1.93 0.56 115.11 121.60 3cpw h GLN 151 Ca 0.01 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3cpw h GLN 151 Cb 0.04 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3cpw h GLN 151 CO -0.02 0.12 -0.36 0.93 -0.95 0.00 0.00 178.83 178.55 3cpw h GLU 152 N 0.18 0.06 0.00 1.46 5.08 -1.78 -1.34 114.58 118.25 3cpw h GLU 152 Ca 0.49 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.70 3cpw h GLU 152 Cb 1.60 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.83 3cpw h GLU 152 CO -0.11 0.42 -0.59 0.28 -1.00 0.00 0.00 179.01 178.01 3cpw h VAL 153 N 0.05 1.10 0.32 3.13 2.07 0.12 -2.88 116.25 120.17 3cpw h VAL 153 Ca 0.00 -2.29 -0.02 0.00 0.82 0.00 0.00 66.70 65.22 3cpw h VAL 153 Cb 0.66 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 3cpw h VAL 153 CO 0.05 0.58 -0.15 0.58 0.02 0.00 0.00 177.57 178.64 3cpw h VAL 154 N 0.00 0.71 -0.39 2.57 2.07 -0.33 -0.89 116.25 119.98 3cpw h VAL 154 Ca -0.01 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3cpw h VAL 154 Cb 1.32 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 3cpw h VAL 154 CO 0.08 0.08 -0.15 0.28 0.02 0.00 0.00 177.57 177.88 3cpw h SER 155 N -0.64 -0.52 -0.74 0.57 0.02 -1.34 0.16 113.55 111.07 3cpw h SER 155 Ca -0.04 0.14 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3cpw h SER 155 Cb 0.45 0.30 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 3cpw h SER 155 CO 0.07 -0.18 0.45 0.25 -1.14 0.00 0.00 176.83 176.28 3cpw h LEU 156 N -0.07 0.70 -0.98 5.07 5.85 -1.44 0.96 115.31 125.40 3cpw h LEU 156 Ca 0.19 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3cpw h LEU 156 Cb 0.36 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3cpw h LEU 156 CO -0.44 0.46 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.84 3cpw h LEU 157 N 0.83 0.49 -0.51 2.25 3.38 0.17 -0.51 115.31 121.41 3cpw h LEU 157 Ca 0.32 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 3cpw h LEU 157 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3cpw h LEU 157 CO -0.16 0.71 -0.49 -0.33 0.09 0.00 0.00 178.44 178.26 3cpw h GLU 158 N 0.44 0.65 0.00 1.13 5.08 0.07 -1.11 114.58 120.84 3cpw h GLU 158 Ca 0.07 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3cpw h GLU 158 Cb 0.62 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3cpw h GLU 158 CO 0.04 0.99 -0.29 0.00 -1.00 0.00 0.00 179.01 178.76 3cpw h ALA 159 N 0.94 1.27 -0.50 3.43 0.00 -0.40 -2.26 119.26 121.74 3cpw h ALA 159 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3cpw h ALA 159 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3cpw h ALA 159 CO 0.10 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.99 3cpw n LEU 160 N -3.83 3.20 -3.00 0.00 4.77 -0.24 -4.89 117.00 113.00 3cpw n LEU 160 Ca -0.01 -1.61 -0.20 0.00 -0.03 0.00 0.00 56.01 54.16 3cpw n LEU 160 Cb 0.38 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3cpw n LEU 160 CO 0.36 0.67 -0.07 0.47 -1.33 0.00 0.00 177.39 177.48 3cpw n ASP 161 N 0.91 -4.44 -0.00 -1.43 8.00 -0.85 -4.83 116.55 113.91 3cpw n ASP 161 Ca 0.18 -0.19 0.02 0.00 0.71 0.00 0.00 54.79 55.51 3cpw n ASP 161 Cb 0.56 -3.67 -0.03 0.00 -0.02 0.00 0.00 41.12 37.96 3cpw n ASP 161 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3cpw n VAL 162 N -3.94 0.00 0.17 2.53 0.31 -0.46 -2.08 118.33 114.87 3cpw n VAL 162 Ca -0.08 -0.23 0.18 0.00 -0.01 0.00 0.00 64.34 64.19 3cpw n VAL 162 Cb 0.59 0.67 0.80 0.00 -0.91 0.00 0.00 33.84 34.98 3cpw n VAL 162 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 3cpw h HIS 163 N 0.00 0.00 -0.09 3.52 6.17 -1.78 -2.65 115.15 120.33 3cpw h HIS 163 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.10 3cpw h HIS 163 Cb 0.16 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.08 3cpw h HIS 163 CO 0.00 0.00 0.14 0.00 0.71 0.00 0.00 177.93 178.78 3cpw h ALA 164 N 1.66 1.51 -0.00 5.26 0.00 -1.84 -0.84 119.26 125.01 3cpw h ALA 164 Ca 0.12 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3cpw h ALA 164 Cb 0.70 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3cpw h ALA 164 CO -0.00 -0.18 -0.74 0.22 0.00 0.00 0.00 179.25 178.54 3cpw h ASP 165 N 0.00 0.04 0.92 0.00 3.58 -0.93 -2.49 116.42 117.53 3cpw h ASP 165 Ca 0.04 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 3cpw h ASP 165 Cb 0.32 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3cpw h ASP 165 CO -0.00 0.77 -0.49 0.40 -2.88 0.00 0.00 179.24 177.04 3cpw h ILE 166 N 0.02 1.05 -0.23 2.25 2.04 -1.35 -1.86 117.51 119.43 3cpw h ILE 166 Ca -0.01 -1.89 -0.12 0.00 1.00 0.00 0.00 64.86 63.83 3cpw h ILE 166 Cb 1.32 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 3cpw h ILE 166 CO 0.10 0.48 -0.38 0.44 0.00 0.00 0.00 178.15 178.79 3cpw h ASP 167 N 0.00 0.55 -0.03 1.72 3.45 -1.27 -1.35 116.42 119.49 3cpw h ASP 167 Ca -0.00 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.22 3cpw h ASP 167 Cb 1.08 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.70 3cpw h ASP 167 CO 0.06 0.88 0.01 -0.09 -1.57 0.00 0.00 179.24 178.53 3cpw h ARG 168 N 0.44 0.05 0.00 3.56 2.43 -0.96 -2.68 114.38 117.21 3cpw h ARG 168 Ca 0.04 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3cpw h ARG 168 Cb 0.86 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3cpw h ARG 168 CO 0.07 0.18 0.00 0.00 -1.51 0.00 0.00 179.97 178.71 3cpw n ALA 169 N -2.17 1.86 -0.85 2.80 0.00 -0.76 -3.89 120.51 117.49 3cpw n ALA 169 Ca -0.07 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.22 3cpw n ALA 169 Cb 0.10 -1.31 -0.09 0.00 0.00 0.00 0.00 19.45 18.15 3cpw n ALA 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3cpw n ASP 170 N -1.53 5.42 -3.39 0.00 4.64 -0.53 -4.50 116.55 116.67 3cpw n ASP 170 Ca 0.04 -2.53 -0.12 0.00 -1.38 0.00 0.00 54.79 50.80 3cpw n ASP 170 Cb 0.22 -1.29 -0.09 0.00 -1.04 0.00 0.00 41.12 38.92 3cpw n ASP 170 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3cpw s GLU 171 N 0.34 0.31 0.30 -0.67 2.02 -1.25 -5.04 118.70 114.70 3cpw s GLU 171 Ca 0.41 0.32 -0.19 0.00 0.02 0.00 0.00 54.97 55.53 3cpw s GLU 171 Cb 0.21 -0.67 -0.09 0.00 0.10 0.00 0.00 34.13 33.68 3cpw s GLU 171 CO -0.02 -0.74 0.79 0.95 0.02 0.00 0.00 175.26 176.26 3cpw s THR 172 N 2.46 4.53 -0.13 3.63 -4.23 -1.26 -4.46 115.64 116.19 3cpw s THR 172 Ca 0.10 1.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.86 3cpw s THR 172 Cb -0.15 -3.76 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 3cpw s THR 172 CO -0.19 0.00 -0.05 -0.75 -0.54 0.00 0.00 174.62 173.10 3cpw s LYS 173 N -2.47 3.37 -0.55 3.99 2.20 0.68 -4.95 119.74 122.00 3cpw s LYS 173 Ca 0.50 -0.53 -0.18 0.00 -0.36 0.00 0.00 55.97 55.40 3cpw s LYS 173 Cb -0.14 -2.81 0.09 0.00 -1.51 0.00 0.00 37.83 33.46 3cpw s LYS 173 CO 0.19 0.39 0.63 0.42 -0.36 0.00 0.00 175.35 176.62 3cpw s ILE 174 N -0.04 4.91 0.64 5.43 1.01 -1.26 -1.95 121.20 129.94 3cpw s ILE 174 Ca 0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 3cpw s ILE 174 Cb -0.13 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.93 3cpw s ILE 174 CO 0.03 -0.95 1.11 0.29 0.00 0.00 0.00 174.94 175.42 3cpw n LYS 175 N 6.07 0.94 -3.28 2.79 5.02 -0.77 -5.01 118.16 123.92 3cpw n LYS 175 Ca -0.09 0.37 -0.35 0.00 -2.02 0.00 0.00 58.31 56.22 3cpw n LYS 175 Cb 0.43 -2.34 -0.06 0.00 -0.02 0.00 0.00 35.03 33.04 3cpw n LYS 175 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cpw s ALA 176 N -1.49 3.52 0.00 7.82 0.00 -1.26 -4.88 121.76 125.47 3cpw s ALA 176 Ca 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.70 3cpw s ALA 176 Cb -0.39 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3cpw s ALA 176 CO 0.44 0.42 0.00 0.41 0.00 0.00 0.00 175.76 177.02 3cpw n GLY 177 N 0.63 1.04 0.17 0.00 0.00 -1.26 -4.74 105.19 101.02 3cpw n GLY 177 Ca -0.03 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.90 3cpw n GLY 177 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cpw n GLN 178 N -0.07 1.22 -0.09 1.61 6.02 -1.26 -3.80 117.38 121.01 3cpw n GLN 178 Ca 0.00 -0.33 0.13 0.00 -0.01 0.00 0.00 57.00 56.79 3cpw n GLN 178 Cb 0.00 -1.26 0.52 0.00 1.02 0.00 0.00 30.24 30.51 3cpw n GLN 178 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 3cpw h GLY 179 N 5.41 0.56 0.17 1.08 0.00 -1.85 0.98 103.07 109.43 3cpw h GLY 179 Ca 0.00 -0.16 0.19 0.00 0.00 0.00 0.00 47.33 47.37 3cpw h GLY 179 CO 0.00 0.09 0.61 0.23 0.00 0.00 0.00 176.54 177.47 3cpw h SER 180 N 0.38 0.69 1.01 0.19 0.87 -1.66 0.26 113.55 115.29 3cpw h SER 180 Ca 0.29 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3cpw h SER 180 Cb 0.63 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 3cpw h SER 180 CO -0.08 0.25 0.00 0.00 -0.53 0.00 0.00 176.83 176.47 3cpw h ALA 181 N 1.63 1.00 -0.27 6.23 0.00 -1.09 -3.05 119.26 123.71 3cpw h ALA 181 Ca 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.40 3cpw h ALA 181 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 3cpw h ALA 181 CO -0.32 0.00 -0.02 0.54 0.00 0.00 0.00 179.25 179.45 3cpw n ARG 182 N -2.71 2.44 -0.58 0.00 1.74 0.76 -4.96 116.66 113.35 3cpw n ARG 182 Ca 0.02 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 54.17 3cpw n ARG 182 Cb 0.30 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 3cpw n ARG 182 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cpw n GLY 183 N -0.79 0.75 2.66 -0.13 0.00 -1.02 -4.96 105.19 101.69 3cpw n GLY 183 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 3cpw n GLY 183 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw n ARG 184 N -2.31 3.24 0.03 1.61 1.74 -0.37 -4.77 116.66 115.82 3cpw n ARG 184 Ca 0.00 -4.18 -0.15 0.00 -0.77 0.00 0.00 57.85 52.75 3cpw n ARG 184 Cb 0.00 -2.26 -0.05 0.00 -1.02 0.00 0.00 32.46 29.13 3cpw n ARG 184 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 3cpw h LYS 185 N 2.79 0.60 -6.17 5.56 3.64 -1.80 -3.32 116.57 117.87 3cpw h LYS 185 Ca 0.39 -0.54 -0.52 0.00 -1.27 0.00 0.00 60.65 58.71 3cpw h LYS 185 Cb 0.57 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.46 3cpw h LYS 185 CO 1.07 1.16 -0.51 0.71 -2.27 0.00 0.00 179.45 179.61 3cpw s TYR 186 N -3.53 2.87 -0.04 1.91 1.51 -1.26 -1.85 117.35 116.96 3cpw s TYR 186 Ca -0.08 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.41 3cpw s TYR 186 Cb 0.09 -1.60 0.08 0.00 -0.11 0.00 0.00 41.96 40.43 3cpw s TYR 186 CO 0.88 0.35 0.75 -0.98 -1.11 0.00 0.00 175.55 175.44 3cpw s ARG 187 N -3.88 0.98 0.08 -0.62 1.04 -0.82 -4.92 118.95 110.81 3cpw s ARG 187 Ca 0.37 0.10 -0.11 0.00 -1.04 0.00 0.00 55.73 55.05 3cpw s ARG 187 Cb -0.05 0.46 0.01 0.00 -2.04 0.00 0.00 34.95 33.32 3cpw s ARG 187 CO 0.24 -0.33 0.24 -0.98 -0.04 0.00 0.00 175.30 174.43 3cpw s ARG 188 N -1.65 0.87 0.75 3.89 1.70 -1.26 -0.23 118.95 123.00 3cpw s ARG 188 Ca -0.06 -0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 54.22 3cpw s ARG 188 Cb -0.00 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3cpw s ARG 188 CO 0.04 -0.29 1.05 -2.30 -1.08 0.00 0.00 175.30 172.72 3cpw n PRO 189 N 0.06 0.45 -3.42 3.89 -0.02 -1.26 -4.97 135.00 129.73 3cpw n PRO 189 Ca -0.16 0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 61.16 3cpw n PRO 189 Cb 0.62 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3cpw n PRO 189 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cpw s ALA 190 N -1.88 3.56 0.00 3.55 0.00 -1.26 -4.41 121.76 121.32 3cpw s ALA 190 Ca 0.74 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.21 3cpw s ALA 190 Cb -0.33 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.22 3cpw s ALA 190 CO 0.50 -0.18 0.00 -1.13 0.00 0.00 0.00 175.76 174.95 3cpw n SER 191 N 4.19 0.00 -4.76 0.00 3.41 -0.42 -4.93 113.62 111.10 3cpw n SER 191 Ca -0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.14 3cpw n SER 191 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3cpw n SER 191 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3cpw s ILE 192 N 4.38 2.80 -0.25 -1.33 1.01 -1.26 -4.64 121.20 121.91 3cpw s ILE 192 Ca 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 60.65 61.23 3cpw s ILE 192 Cb 0.00 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 39.16 3cpw s ILE 192 CO 0.00 0.01 -0.02 -0.22 0.00 0.00 0.00 174.94 174.70 3cpw s LEU 193 N -3.06 3.22 -0.31 2.97 2.96 -0.95 -1.66 118.68 121.85 3cpw s LEU 193 Ca 0.64 -0.65 -0.14 0.00 -0.22 0.00 0.00 54.13 53.76 3cpw s LEU 193 Cb -0.33 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3cpw s LEU 193 CO 0.40 -0.10 0.32 -0.36 -1.32 0.00 0.00 176.35 175.29 3cpw s PHE 194 N 1.42 3.22 -0.35 5.38 0.40 0.04 -1.69 117.98 126.41 3cpw s PHE 194 Ca 0.03 0.09 -0.09 0.00 -0.60 0.00 0.00 56.93 56.36 3cpw s PHE 194 Cb -0.16 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.82 3cpw s PHE 194 CO -0.03 -0.33 0.15 0.08 0.70 0.00 0.00 175.22 175.80 3cpw s VAL 195 N 1.96 4.19 0.00 -0.44 1.01 -0.48 -0.43 120.40 126.21 3cpw s VAL 195 Ca 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.14 3cpw s VAL 195 Cb -0.16 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3cpw s VAL 195 CO 0.11 -0.18 0.00 0.35 0.00 0.00 0.00 175.10 175.38 3cpw n THR 196 N 4.91 0.00 -0.03 3.92 -2.24 -0.12 -2.23 114.28 118.50 3cpw n THR 196 Ca -0.12 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 3cpw n THR 196 Cb 0.46 -0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 67.93 3cpw n THR 196 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3cpw n SER 197 N -2.10 1.09 -0.05 3.42 2.88 -1.26 -1.40 113.62 116.21 3cpw n SER 197 Ca 0.00 0.05 -0.18 0.00 -1.33 0.00 0.00 58.87 57.41 3cpw n SER 197 Cb 0.00 -0.16 -0.13 0.00 -0.75 0.00 0.00 64.21 63.17 3cpw n SER 197 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3cpw h ASP 198 N -0.17 0.14 -4.89 -3.46 3.32 -1.99 -3.43 116.42 105.94 3cpw h ASP 198 Ca -0.15 -0.85 -0.10 0.00 0.02 0.00 0.00 57.03 55.95 3cpw h ASP 198 Cb 1.15 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 3cpw h ASP 198 CO -0.08 1.29 -0.15 -1.61 -1.72 0.00 0.00 179.24 176.98 3cpw s GLU 199 N -2.33 0.76 0.59 3.56 2.02 -1.26 -5.10 118.70 116.93 3cpw s GLU 199 Ca -0.21 0.00 -0.19 0.00 0.02 0.00 0.00 54.97 54.60 3cpw s GLU 199 Cb 0.01 0.35 -0.06 0.00 0.10 0.00 0.00 34.13 34.53 3cpw s GLU 199 CO 0.70 -0.21 0.87 -2.30 0.02 0.00 0.00 175.26 174.34 3cpw n PRO 200 N 1.32 0.84 -2.13 0.39 -0.02 -1.26 -4.76 135.00 129.38 3cpw n PRO 200 Ca -0.20 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.18 3cpw n PRO 200 Cb 0.56 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 3cpw n PRO 200 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3cpw s SER 201 N -1.21 5.88 0.25 2.55 0.15 -1.26 -4.85 113.70 115.21 3cpw s SER 201 Ca 0.74 0.89 -0.02 0.00 0.70 0.00 0.00 55.95 58.26 3cpw s SER 201 Cb -0.43 -2.53 0.29 0.00 -1.71 0.00 0.00 66.02 61.64 3cpw s SER 201 CO 0.49 -1.79 1.70 0.74 1.20 0.00 0.00 173.24 175.58 3cpw h THR 202 N 6.70 1.26 -0.18 6.45 2.02 -1.90 -1.91 112.91 125.35 3cpw h THR 202 Ca -0.30 -1.20 -0.07 0.00 0.77 0.00 0.00 66.41 65.61 3cpw h THR 202 Cb 1.15 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3cpw h THR 202 CO 1.10 0.40 -0.20 0.00 0.37 0.00 0.00 175.52 177.20 3cpw h ALA 203 N 1.19 1.34 0.00 6.16 0.00 -1.82 -3.26 119.26 122.88 3cpw h ALA 203 Ca 0.10 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.53 3cpw h ALA 203 Cb 0.62 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 3cpw h ALA 203 CO 0.04 0.45 -1.87 0.00 0.00 0.00 0.00 179.25 177.87 3cpw n ALA 204 N -2.48 1.94 -0.34 0.00 0.00 -1.14 -3.67 120.51 114.81 3cpw n ALA 204 Ca -0.01 -0.81 0.21 0.00 0.00 0.00 0.00 53.44 52.84 3cpw n ALA 204 Cb 0.33 -0.65 0.45 0.00 0.00 0.00 0.00 19.45 19.58 3cpw n ALA 204 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3cpw h ARG 205 N 0.00 0.44 0.00 0.00 0.11 -1.39 -1.40 114.38 112.14 3cpw h ARG 205 Ca -0.26 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.79 3cpw h ARG 205 Cb 1.71 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.69 3cpw h ARG 205 CO 0.03 0.29 0.00 -1.71 0.10 0.00 0.00 179.97 178.69 3cpw n ASN 206 N -4.81 0.00 -4.77 0.08 5.15 -1.26 -4.63 115.26 105.01 3cpw n ASN 206 Ca 0.28 -0.04 -0.41 0.00 -0.60 0.00 0.00 54.58 53.81 3cpw n ASN 206 Cb 0.86 -0.31 -0.00 0.00 -0.53 0.00 0.00 39.78 39.80 3cpw n ASN 206 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3cpw n LEU 207 N -1.31 4.72 -4.68 1.20 4.77 -0.53 -4.83 117.00 116.34 3cpw n LEU 207 Ca 0.13 1.23 -0.55 0.00 -0.03 0.00 0.00 56.01 56.78 3cpw n LEU 207 Cb 0.24 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.65 3cpw n LEU 207 CO 0.22 0.13 1.25 0.00 -1.33 0.00 0.00 177.39 177.66 3cpw n ALA 208 N 0.45 -0.17 -0.66 -1.18 0.00 -1.26 -0.75 120.51 116.93 3cpw n ALA 208 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3cpw n ALA 208 Cb 0.39 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3cpw n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cpw n GLY 209 N 3.83 0.84 3.75 0.00 0.00 -1.26 -4.58 105.19 107.77 3cpw n GLY 209 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3cpw n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 210 N -2.72 3.40 -0.03 4.61 0.00 0.07 -1.30 121.76 125.78 3cpw s ALA 210 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.90 3cpw s ALA 210 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3cpw s ALA 210 CO 0.00 -0.18 -0.21 -0.51 0.00 0.00 0.00 175.76 174.85 3cpw s ASP 211 N -0.59 2.56 -0.01 0.00 1.01 -0.66 -4.82 116.67 114.15 3cpw s ASP 211 Ca 0.46 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.36 3cpw s ASP 211 Cb -0.31 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 3cpw s ASP 211 CO 0.39 0.24 -0.13 0.68 0.21 0.00 0.00 175.17 176.57 3cpw s VAL 212 N -0.35 3.20 0.24 -1.27 -7.23 -1.26 -0.78 120.40 112.94 3cpw s VAL 212 Ca 0.04 -0.84 -0.10 0.00 -1.81 0.00 0.00 61.98 59.27 3cpw s VAL 212 Cb -0.10 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.51 3cpw s VAL 212 CO 0.00 0.47 0.40 0.00 -0.31 0.00 0.00 175.10 175.67 3cpw s ALA 213 N -0.86 0.09 -0.05 1.32 0.00 0.43 -4.93 121.76 117.75 3cpw s ALA 213 Ca 0.14 -1.07 0.06 0.00 0.00 0.00 0.00 51.96 51.09 3cpw s ALA 213 Cb -0.11 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.14 3cpw s ALA 213 CO 0.04 -0.80 -0.23 0.99 0.00 0.00 0.00 175.76 175.76 3cpw s THR 214 N -4.04 2.25 0.37 0.00 2.01 -1.26 -0.94 115.64 114.03 3cpw s THR 214 Ca 0.26 -1.01 0.17 0.00 0.31 0.00 0.00 61.69 61.42 3cpw s THR 214 Cb 0.01 -1.82 0.37 0.00 0.01 0.00 0.00 72.50 71.07 3cpw s THR 214 CO 0.10 0.57 1.71 0.00 -0.69 0.00 0.00 174.62 176.32 3cpw h ALA 215 N 5.80 2.12 0.00 7.40 0.00 -1.50 0.21 119.26 133.30 3cpw h ALA 215 Ca -0.37 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3cpw h ALA 215 Cb 1.16 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3cpw h ALA 215 CO 0.48 -0.62 -0.16 0.66 0.00 0.00 0.00 179.25 179.61 3cpw h SER 216 N 0.39 0.00 0.00 0.00 4.64 -1.87 -3.34 113.55 113.36 3cpw h SER 216 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 3cpw h SER 216 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3cpw h SER 216 CO -0.43 0.16 -0.19 -1.84 -0.87 0.00 0.00 176.83 173.66 3cpw n GLU 217 N -3.28 0.68 -1.93 4.77 0.28 -0.20 -5.06 120.64 115.90 3cpw n GLU 217 Ca 0.01 -1.24 -0.42 0.00 -0.16 0.00 0.00 57.16 55.35 3cpw n GLU 217 Cb 0.42 -0.77 -0.03 0.00 1.43 0.00 0.00 31.44 32.49 3cpw n GLU 217 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3cpw s VAL 218 N -0.70 2.62 0.32 3.84 0.11 0.58 -4.87 120.40 122.30 3cpw s VAL 218 Ca 0.06 0.43 0.04 0.00 -2.93 0.00 0.00 61.98 59.58 3cpw s VAL 218 Cb 0.05 -3.28 0.04 0.00 -1.53 0.00 0.00 36.38 31.67 3cpw s VAL 218 CO 0.01 0.03 0.31 -0.46 -3.33 0.00 0.00 175.10 171.66 3cpw n ASN 219 N 4.06 1.75 -0.09 3.54 0.23 -1.26 -5.01 115.26 118.49 3cpw n ASN 219 Ca 0.14 -2.02 -0.01 0.00 -0.53 0.00 0.00 54.58 52.16 3cpw n ASN 219 Cb 0.38 -0.09 0.26 0.00 -2.08 0.00 0.00 39.78 38.25 3cpw n ASN 219 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 3cpw h THR 220 N 0.42 1.20 -0.49 5.53 2.02 -1.92 -2.64 112.91 117.03 3cpw h THR 220 Ca -0.19 -0.65 -0.06 0.00 0.77 0.00 0.00 66.41 66.29 3cpw h THR 220 Cb 0.73 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3cpw h THR 220 CO 0.28 0.25 0.09 -0.33 0.37 0.00 0.00 175.52 176.18 3cpw h GLU 221 N 0.71 0.80 -0.01 6.66 5.08 -1.92 0.50 114.58 126.40 3cpw h GLU 221 Ca 0.17 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3cpw h GLU 221 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3cpw h GLU 221 CO -0.01 0.80 -0.78 0.38 -1.00 0.00 0.00 179.01 178.39 3cpw h ASP 222 N 0.67 0.14 0.17 1.42 3.04 -1.94 -0.86 116.42 119.06 3cpw h ASP 222 Ca 0.15 -0.11 -0.19 0.00 -3.24 0.00 0.00 57.03 53.64 3cpw h ASP 222 Cb 0.38 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.62 3cpw h ASP 222 CO 0.01 0.87 -0.72 -0.07 -2.04 0.00 0.00 179.24 177.29 3cpw h LEU 223 N 0.07 0.57 -5.97 0.15 4.07 -1.36 -3.38 115.31 109.47 3cpw h LEU 223 Ca -0.02 -0.37 -0.54 0.00 0.08 0.00 0.00 57.88 57.04 3cpw h LEU 223 Cb 1.37 -0.17 -0.40 0.00 1.08 0.00 0.00 40.66 42.55 3cpw h LEU 223 CO 0.11 1.11 -1.07 0.00 -1.08 0.00 0.00 178.44 177.52 3cpw n ALA 224 N -2.53 2.57 -1.70 1.53 0.00 0.17 -3.39 120.51 117.15 3cpw n ALA 224 Ca -0.05 -3.61 -0.59 0.00 0.00 0.00 0.00 53.44 49.19 3cpw n ALA 224 Cb 0.70 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.22 3cpw n ALA 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3cpw n PRO 225 N 0.82 0.89 -0.96 0.00 -0.04 -0.33 -0.21 135.00 135.16 3cpw n PRO 225 Ca 0.24 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3cpw n PRO 225 Cb 0.56 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 3cpw n PRO 225 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cpw n GLY 226 N 3.95 0.73 0.93 0.55 0.00 -1.26 -3.31 105.19 106.78 3cpw n GLY 226 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3cpw n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cpw n GLY 227 N -2.52 0.90 3.59 -0.02 0.00 0.71 -5.00 105.19 102.86 3cpw n GLY 227 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3cpw n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw s ALA 228 N -2.34 3.41 0.80 4.61 0.00 -1.21 -4.14 121.76 122.90 3cpw s ALA 228 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 3cpw s ALA 228 Cb 0.00 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.75 3cpw s ALA 228 CO 0.00 -1.57 1.10 -2.14 0.00 0.00 0.00 175.76 173.15 3cpw s PRO 229 N 3.28 2.01 0.00 0.00 0.02 -1.26 -4.05 135.00 135.00 3cpw s PRO 229 Ca 0.34 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3cpw s PRO 229 Cb -0.13 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3cpw s PRO 229 CO 0.18 -1.81 0.00 0.41 -0.33 0.00 0.00 177.00 175.45 3cpw n GLY 230 N -1.07 0.63 3.77 0.52 0.00 -1.26 -4.68 105.19 103.08 3cpw n GLY 230 Ca 0.09 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 3cpw n GLY 230 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cpw s ARG 231 N -2.39 4.55 -0.43 1.61 3.52 -1.22 -4.01 118.95 120.58 3cpw s ARG 231 Ca 0.00 1.14 -0.27 0.00 -0.13 0.00 0.00 55.73 56.46 3cpw s ARG 231 Cb 0.00 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 3cpw s ARG 231 CO 0.00 0.48 1.92 -1.17 -0.81 0.00 0.00 175.30 175.71 3cpw s LEU 232 N -0.79 3.42 0.40 -0.88 2.96 -1.26 -4.78 118.68 117.75 3cpw s LEU 232 Ca 0.37 0.99 0.08 0.00 -0.22 0.00 0.00 54.13 55.35 3cpw s LEU 232 Cb -0.22 -3.07 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 3cpw s LEU 232 CO 0.25 -2.08 0.33 -0.89 -1.32 0.00 0.00 176.35 172.64 3cpw s THR 233 N 8.32 2.72 -0.19 3.68 2.01 -1.26 -2.24 115.64 128.67 3cpw s THR 233 Ca 0.79 -1.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 3cpw s THR 233 Cb -0.19 -3.02 0.09 0.00 0.01 0.00 0.00 72.50 69.39 3cpw s THR 233 CO 0.29 -0.03 0.25 0.54 -0.69 0.00 0.00 174.62 174.98 3cpw s VAL 234 N -2.47 -0.38 0.70 3.82 0.11 -0.68 -2.75 120.40 118.75 3cpw s VAL 234 Ca 0.46 -0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.51 3cpw s VAL 234 Cb -0.02 -0.65 0.13 0.00 -1.53 0.00 0.00 36.38 34.31 3cpw s VAL 234 CO 0.27 -0.13 0.96 0.49 -3.33 0.00 0.00 175.10 173.36 3cpw n PHE 235 N 5.33 -2.73 -5.20 1.54 3.01 0.10 -1.38 117.46 118.14 3cpw n PHE 235 Ca -0.05 -1.91 -0.31 0.00 1.01 0.00 0.00 57.45 56.19 3cpw n PHE 235 Cb 0.50 -0.69 -0.15 0.00 -0.01 0.00 0.00 39.48 39.12 3cpw n PHE 235 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3cpw s THR 236 N -3.01 2.31 0.12 4.37 -1.32 -0.94 -2.43 115.64 114.73 3cpw s THR 236 Ca 0.66 -1.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.00 3cpw s THR 236 Cb -0.04 -1.83 0.07 0.00 -1.51 0.00 0.00 72.50 69.19 3cpw s THR 236 CO 0.43 0.58 0.90 1.21 -2.21 0.00 0.00 174.62 175.54 3cpw n GLU 237 N 2.46 -0.18 -0.11 7.08 4.07 0.16 0.13 120.64 134.25 3cpw n GLU 237 Ca -0.16 0.89 -0.14 0.00 -0.06 0.00 0.00 57.16 57.69 3cpw n GLU 237 Cb 0.51 -1.32 -0.03 0.00 -0.06 0.00 0.00 31.44 30.54 3cpw n GLU 237 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 3cpw h SER 238 N 0.00 0.97 -0.27 4.31 0.02 -1.95 -3.11 113.55 113.52 3cpw h SER 238 Ca 0.16 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3cpw h SER 238 Cb 0.31 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3cpw h SER 238 CO -0.57 1.26 -0.03 0.00 -1.14 0.00 0.00 176.83 176.35 3cpw h ALA 239 N 0.74 0.22 -1.00 3.77 0.00 0.84 -0.69 119.26 123.13 3cpw h ALA 239 Ca 0.05 0.09 0.21 0.00 0.00 0.00 0.00 54.91 55.26 3cpw h ALA 239 Cb 1.01 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 3cpw h ALA 239 CO 0.10 -0.44 0.61 1.25 0.00 0.00 0.00 179.25 180.77 3cpw h LEU 240 N 0.04 0.73 0.21 0.00 6.46 0.30 -0.38 115.31 122.67 3cpw h LEU 240 Ca 0.13 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 3cpw h LEU 240 Cb 0.19 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3cpw h LEU 240 CO -0.25 0.22 -0.10 0.00 -0.62 0.00 0.00 178.44 177.69 3cpw h ALA 241 N 1.67 -0.28 -0.59 1.25 0.00 -1.10 -3.19 119.26 117.02 3cpw h ALA 241 Ca 0.60 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.39 3cpw h ALA 241 Cb 1.03 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 3cpw h ALA 241 CO -0.40 -0.49 0.29 0.93 0.00 0.00 0.00 179.25 179.58 3cpw h GLU 242 N -0.62 0.51 -0.26 0.00 5.08 -0.29 -1.55 114.58 117.45 3cpw h GLU 242 Ca -0.03 -0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.38 3cpw h GLU 242 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3cpw h GLU 242 CO 0.05 0.34 0.25 0.28 -1.00 0.00 0.00 179.01 178.92 3cpw h VAL 243 N 0.53 0.55 -0.89 3.13 2.07 -1.18 -2.23 116.25 118.23 3cpw h VAL 243 Ca 0.27 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.90 3cpw h VAL 243 Cb 0.23 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 3cpw h VAL 243 CO -0.21 0.00 0.58 0.00 0.02 0.00 0.00 177.57 177.96 3cpw h ALA 244 N 1.75 1.65 -0.47 1.67 0.00 -1.26 -2.45 119.26 120.15 3cpw h ALA 244 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cpw h ALA 244 Cb 0.62 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3cpw h ALA 244 CO -0.00 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3cpw n GLU 245 N -4.54 2.41 0.00 0.00 1.02 -0.84 -4.73 120.64 113.97 3cpw n GLU 245 Ca 0.15 -1.82 0.14 0.00 -0.02 0.00 0.00 57.16 55.62 3cpw n GLU 245 Cb 0.33 -1.50 0.84 0.00 -0.02 0.00 0.00 31.44 31.09 3cpw n GLU 245 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85