#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mds s TYR 2 N 0.00 2.74 0.03 0.54 5.04 -1.16 -3.59 117.35 120.94 3mds s TYR 2 Ca 0.00 0.72 -0.28 0.00 -2.44 0.00 0.00 57.07 55.07 3mds s TYR 2 Cb 0.00 -4.10 -0.04 0.00 0.35 0.00 0.00 41.96 38.17 3mds s TYR 2 CO 0.00 -3.74 0.90 -2.14 -1.34 0.00 0.00 175.55 169.23 3mds s PRO 3 N -0.39 4.57 0.68 4.97 0.02 -1.26 -4.91 135.00 138.68 3mds s PRO 3 Ca 0.64 1.30 -0.13 0.00 0.02 0.00 0.00 61.00 62.83 3mds s PRO 3 Cb -0.48 -3.42 0.01 0.00 0.02 0.00 0.00 34.50 30.62 3mds s PRO 3 CO 0.47 0.09 1.08 -0.06 -0.33 0.00 0.00 177.00 178.25 3mds s PHE 4 N 0.55 2.84 0.00 6.54 0.08 -1.24 -5.05 117.98 121.71 3mds s PHE 4 Ca 0.46 1.51 0.07 0.00 0.12 0.00 0.00 56.93 59.09 3mds s PHE 4 Cb -0.21 -3.02 -0.03 0.00 -0.57 0.00 0.00 43.02 39.20 3mds s PHE 4 CO 0.26 -1.44 -0.21 0.15 -0.10 0.00 0.00 175.22 173.88 3mds s LYS 5 N -4.56 2.11 -0.12 0.44 1.02 -1.26 -4.96 119.74 112.41 3mds s LYS 5 Ca 0.62 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 3mds s LYS 5 Cb -0.17 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3mds s LYS 5 CO 0.48 0.56 1.36 -1.17 -0.92 0.00 0.00 175.35 175.65 3mds s LEU 6 N -1.00 4.23 0.46 3.17 2.96 -1.26 -5.00 118.68 122.25 3mds s LEU 6 Ca 0.12 1.86 -0.21 0.00 -0.22 0.00 0.00 54.13 55.68 3mds s LEU 6 Cb -0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 3mds s LEU 6 CO 0.02 -0.79 1.02 -2.16 -1.32 0.00 0.00 176.35 173.12 3mds s PRO 7 N 3.46 3.93 0.60 0.98 0.04 -1.26 -5.01 135.00 137.74 3mds s PRO 7 Ca 0.60 1.33 -0.19 0.00 0.04 0.00 0.00 61.00 62.78 3mds s PRO 7 Cb -0.25 -2.17 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 3mds s PRO 7 CO 0.19 -0.32 1.21 -0.51 0.04 0.00 0.00 177.00 177.62 3mds s ASP 8 N -1.97 5.14 0.24 6.66 1.01 -1.26 -4.92 116.67 121.57 3mds s ASP 8 Ca 0.65 2.39 -0.07 0.00 0.71 0.00 0.00 52.55 56.23 3mds s ASP 8 Cb -0.16 -2.60 0.23 0.00 1.01 0.00 0.00 42.92 41.41 3mds s ASP 8 CO 0.19 -1.63 1.91 -0.07 0.21 0.00 0.00 175.17 175.79 3mds h LEU 9 N 0.83 1.09 0.00 1.23 3.38 -1.98 -3.46 115.31 116.40 3mds h LEU 9 Ca -0.50 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3mds h LEU 9 Cb 1.30 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3mds h LEU 9 CO 0.55 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.49 3mds n GLY 10 N -1.34 0.72 3.32 0.83 0.00 -1.26 -4.83 105.19 102.64 3mds n GLY 10 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3mds n GLY 10 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mds s TYR 11 N -2.83 -0.22 0.67 1.61 -0.85 -1.26 -5.05 117.35 109.41 3mds s TYR 11 Ca 0.00 -0.08 -0.17 0.00 -0.52 0.00 0.00 57.07 56.31 3mds s TYR 11 Cb 0.00 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.61 3mds s TYR 11 CO 0.00 -0.69 1.21 -2.14 -1.52 0.00 0.00 175.55 172.41 3mds s PRO 12 N -3.70 2.53 0.55 -3.49 0.02 -1.26 -4.90 135.00 124.75 3mds s PRO 12 Ca 0.02 1.80 0.28 0.00 0.02 0.00 0.00 61.00 63.12 3mds s PRO 12 Cb 0.02 -1.88 1.63 0.00 0.02 0.00 0.00 34.50 34.28 3mds s PRO 12 CO -0.11 -1.54 2.17 1.88 -0.33 0.00 0.00 177.00 179.06 3mds h TYR 13 N 0.25 0.00 -0.02 6.54 0.05 -1.97 -1.58 116.97 120.23 3mds h TYR 13 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.29 3mds h TYR 13 Cb 1.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.04 3mds h TYR 13 CO 0.47 0.06 0.00 -0.85 -1.05 0.00 0.00 178.16 176.79 3mds n GLU 14 N -3.79 1.66 0.30 4.88 0.00 -1.26 -4.14 120.64 118.29 3mds n GLU 14 Ca -0.02 -0.96 0.20 0.00 0.00 0.00 0.00 57.16 56.38 3mds n GLU 14 Cb 0.15 -1.48 1.03 0.00 0.00 0.00 0.00 31.44 31.15 3mds n GLU 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mds h ALA 15 N 4.34 1.00 -0.37 -1.84 0.00 -1.65 -2.87 119.26 117.86 3mds h ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mds h ALA 15 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3mds h ALA 15 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3mds n LEU 16 N -2.98 3.11 -4.76 0.00 4.77 -1.26 -4.98 117.00 110.90 3mds n LEU 16 Ca -0.02 -1.66 -0.39 0.00 -0.03 0.00 0.00 56.01 53.91 3mds n LEU 16 Cb 0.12 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 3mds n LEU 16 CO 0.21 0.72 0.98 -1.61 -1.33 0.00 0.00 177.39 176.35 3mds s GLU 17 N -1.15 3.70 -0.06 3.23 0.41 -1.09 -0.37 118.70 123.37 3mds s GLU 17 Ca 0.31 2.21 0.11 0.00 -0.41 0.00 0.00 54.97 57.18 3mds s GLU 17 Cb 0.17 -2.59 0.42 0.00 -1.78 0.00 0.00 34.13 30.35 3mds s GLU 17 CO 0.24 -0.73 1.27 -0.35 -0.49 0.00 0.00 175.26 175.20 3mds n PRO 18 N -0.25 2.57 -0.02 0.39 -0.04 -1.26 -4.89 135.00 131.49 3mds n PRO 18 Ca 0.06 -1.66 -0.13 0.00 -0.04 0.00 0.00 63.50 61.73 3mds n PRO 18 Cb 0.44 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 3mds n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3mds h HIS 19 N 2.40 0.04 -3.41 0.54 3.86 -1.08 -3.42 115.15 114.07 3mds h HIS 19 Ca 0.00 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.67 3mds h HIS 19 Cb 0.93 -0.01 -0.33 0.00 1.06 0.00 0.00 27.41 29.06 3mds h HIS 19 CO 0.44 0.58 -0.82 0.42 0.86 0.00 0.00 177.93 179.41 3mds s ILE 20 N -3.99 1.20 0.58 2.45 1.01 -0.80 -4.90 121.20 116.74 3mds s ILE 20 Ca -0.16 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 3mds s ILE 20 Cb 0.01 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3mds s ILE 20 CO 0.68 0.37 1.15 1.51 0.00 0.00 0.00 174.94 178.66 3mds s ASP 21 N 0.65 5.44 0.31 3.58 -4.77 -1.26 -3.19 116.67 117.44 3mds s ASP 21 Ca -0.15 2.23 0.03 0.00 -3.30 0.00 0.00 52.55 51.36 3mds s ASP 21 Cb -0.16 -2.58 0.52 0.00 -1.09 0.00 0.00 42.92 39.61 3mds s ASP 21 CO 0.04 -1.41 1.83 0.00 0.70 0.00 0.00 175.17 176.33 3mds h ALA 22 N 0.93 1.28 -0.64 2.11 0.00 -1.91 -2.22 119.26 118.81 3mds h ALA 22 Ca -0.50 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.10 3mds h ALA 22 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3mds h ALA 22 CO 0.56 0.48 0.07 -0.22 0.00 0.00 0.00 179.25 180.14 3mds h LYS 23 N 0.55 1.09 -0.25 0.00 3.64 -1.93 -1.75 116.57 117.92 3mds h LYS 23 Ca 0.11 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 3mds h LYS 23 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3mds h LYS 23 CO 0.02 1.01 0.04 1.15 -2.27 0.00 0.00 179.45 179.40 3mds h THR 24 N 1.01 1.23 -0.75 1.00 2.02 -1.91 -1.39 112.91 114.12 3mds h THR 24 Ca 0.19 -0.78 0.08 0.00 0.77 0.00 0.00 66.41 66.67 3mds h THR 24 Cb 0.48 1.26 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 3mds h THR 24 CO 0.02 0.25 0.42 0.24 0.37 0.00 0.00 175.52 176.82 3mds h MET 25 N 0.22 0.71 0.07 6.66 2.86 -1.13 0.29 114.93 124.60 3mds h MET 25 Ca 0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3mds h MET 25 Cb 0.34 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.84 3mds h MET 25 CO 0.01 0.47 -0.03 1.49 1.06 0.00 0.00 176.91 179.91 3mds h GLU 26 N 0.73 -0.08 -0.59 1.72 4.81 -1.16 -1.89 114.58 118.12 3mds h GLU 26 Ca 0.35 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 3mds h GLU 26 Cb 0.29 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3mds h GLU 26 CO -0.22 0.18 0.13 0.82 -0.73 0.00 0.00 179.01 179.19 3mds h ILE 27 N -0.34 1.25 -0.67 2.32 2.04 -1.00 0.34 117.51 121.44 3mds h ILE 27 Ca -0.01 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3mds h ILE 27 Cb 0.30 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3mds h ILE 27 CO 0.01 0.34 0.44 -0.74 0.00 0.00 0.00 178.15 178.21 3mds h HIS 28 N 0.86 0.84 0.06 1.37 2.76 -0.41 -0.20 115.15 120.43 3mds h HIS 28 Ca 0.18 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3mds h HIS 28 Cb 0.37 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3mds h HIS 28 CO 0.03 0.53 -0.03 1.25 -1.30 0.00 0.00 177.93 178.40 3mds h HIS 29 N 0.90 -0.08 -0.19 5.26 -0.00 -1.27 -1.71 115.15 118.06 3mds h HIS 29 Ca 0.25 -0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.44 3mds h HIS 29 Cb -0.09 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 3mds h HIS 29 CO -0.03 0.29 -0.60 1.96 -0.00 0.00 0.00 177.93 179.55 3mds h GLN 30 N -0.99 0.65 0.00 5.26 1.08 -0.96 -2.26 115.11 117.89 3mds h GLN 30 Ca -0.01 -0.44 -0.31 0.00 -1.45 0.00 0.00 58.65 56.45 3mds h GLN 30 Cb 0.40 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.85 3mds h GLN 30 CO 0.01 1.06 -1.82 1.63 -0.95 0.00 0.00 178.83 178.76 3mds n LYS 31 N -3.95 0.56 0.09 1.46 4.76 -0.14 -3.76 118.16 117.18 3mds n LYS 31 Ca -0.04 0.37 -0.06 0.00 -2.87 0.00 0.00 58.31 55.71 3mds n LYS 31 Cb 0.64 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.22 3mds n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3mds h HIS 32 N -1.00 -0.31 -0.69 2.13 3.86 -1.37 -2.14 115.15 115.63 3mds h HIS 32 Ca -0.46 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 58.72 3mds h HIS 32 Cb 1.36 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.90 3mds h HIS 32 CO -0.08 -0.12 0.37 1.25 0.86 0.00 0.00 177.93 180.20 3mds h HIS 33 N -1.06 0.97 -0.66 2.45 -0.00 -1.32 -2.24 115.15 113.29 3mds h HIS 33 Ca -0.03 -0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.40 3mds h HIS 33 Cb 0.33 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 27.36 3mds h HIS 33 CO 0.02 0.70 0.31 0.78 -0.00 0.00 0.00 177.93 179.73 3mds h GLY 34 N 0.95 0.97 1.02 5.26 0.00 -1.49 -1.45 103.07 108.34 3mds h GLY 34 Ca 0.24 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 3mds h GLY 34 CO -0.04 0.03 0.13 0.00 0.00 0.00 0.00 176.54 176.67 3mds h ALA 35 N 1.42 0.79 -0.57 3.60 0.00 -0.99 -1.91 119.26 121.60 3mds h ALA 35 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mds h ALA 35 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mds h ALA 35 CO -0.28 0.52 0.38 1.88 0.00 0.00 0.00 179.25 181.74 3mds h TYR 36 N 0.88 0.73 -0.15 0.00 0.05 -0.71 -0.46 116.97 117.31 3mds h TYR 36 Ca 0.19 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.98 3mds h TYR 36 Cb 0.38 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 3mds h TYR 36 CO 0.03 0.47 0.08 0.28 -1.05 0.00 0.00 178.16 177.96 3mds h VAL 37 N 0.78 1.09 -0.37 -2.88 2.07 -1.28 0.04 116.25 115.71 3mds h VAL 37 Ca 0.21 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3mds h VAL 37 Cb -0.08 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3mds h VAL 37 CO -0.04 0.09 0.17 0.74 0.02 0.00 0.00 177.57 178.55 3mds h THR 38 N 0.14 0.97 -0.43 2.57 2.02 -1.06 -1.64 112.91 115.48 3mds h THR 38 Ca 0.05 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 3mds h THR 38 Cb 0.07 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3mds h THR 38 CO -0.01 0.07 -0.23 0.78 0.37 0.00 0.00 175.52 176.50 3mds h ASN 39 N 0.36 0.89 -0.26 4.18 2.35 -0.99 -1.44 115.58 120.67 3mds h ASN 39 Ca 0.16 -0.33 0.02 0.00 -0.55 0.00 0.00 56.30 55.60 3mds h ASN 39 Cb 0.08 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 3mds h ASN 39 CO -0.12 1.08 0.11 0.25 -1.65 0.00 0.00 177.43 177.10 3mds h LEU 40 N 0.75 0.14 -0.77 1.61 5.85 -0.66 -1.70 115.31 120.53 3mds h LEU 40 Ca 0.10 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3mds h LEU 40 Cb 0.77 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 3mds h LEU 40 CO 0.06 0.11 0.39 0.78 -0.34 0.00 0.00 178.44 179.44 3mds h ASN 41 N 0.24 1.00 -0.37 1.25 2.35 -1.16 -1.61 115.58 117.27 3mds h ASN 41 Ca 0.11 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3mds h ASN 41 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3mds h ASN 41 CO -0.10 0.84 0.13 0.00 -1.65 0.00 0.00 177.43 176.65 3mds h ALA 42 N 1.20 1.41 -0.32 -0.83 0.00 -0.99 -1.15 119.26 118.58 3mds h ALA 42 Ca 0.27 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3mds h ALA 42 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3mds h ALA 42 CO -0.04 0.43 -0.33 0.00 0.00 0.00 0.00 179.25 179.31 3mds h ALA 43 N 1.52 0.47 0.00 0.00 0.00 -0.62 -3.29 119.26 117.34 3mds h ALA 43 Ca 0.15 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mds h ALA 43 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3mds h ALA 43 CO -0.01 0.53 -0.04 -0.07 0.00 0.00 0.00 179.25 179.66 3mds h LEU 44 N 0.57 0.00 -1.43 0.00 3.38 -0.94 -3.33 115.31 113.55 3mds h LEU 44 Ca 0.05 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.21 3mds h LEU 44 Cb 0.91 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 3mds h LEU 44 CO 0.08 0.00 0.59 -0.08 0.09 0.00 0.00 178.44 179.12 3mds h GLU 45 N 0.00 0.47 0.00 1.13 4.81 -1.29 -2.37 114.58 117.33 3mds h GLU 45 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3mds h GLU 45 Cb 0.96 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3mds h GLU 45 CO 0.00 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.22 3mds n LYS 46 N -4.54 0.04 -3.70 1.92 5.02 -1.25 -4.38 118.16 111.26 3mds n LYS 46 Ca 0.19 0.09 -0.28 0.00 -2.02 0.00 0.00 58.31 56.29 3mds n LYS 46 Cb 0.64 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.99 3mds n LYS 46 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3mds n TYR 47 N -1.61 1.87 -0.37 2.13 4.01 -0.89 -4.95 117.16 117.35 3mds n TYR 47 Ca 0.06 -3.97 0.32 0.00 -0.16 0.00 0.00 57.90 54.14 3mds n TYR 47 Cb 0.32 -0.33 0.64 0.00 -0.31 0.00 0.00 39.34 39.65 3mds n TYR 47 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3mds h PRO 48 N 5.38 0.17 0.00 -0.72 0.11 -1.77 -0.06 132.00 135.10 3mds h PRO 48 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3mds h PRO 48 Cb 0.80 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3mds h PRO 48 CO 0.61 0.11 0.00 0.10 -0.21 0.00 0.00 178.00 178.61 3mds h TYR 49 N 0.17 0.00 -0.17 0.65 -0.00 -1.94 -2.25 116.97 113.44 3mds h TYR 49 Ca 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.37 3mds h TYR 49 Cb 2.11 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.84 3mds h TYR 49 CO -0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 3mds n LEU 50 N -2.46 3.11 0.11 0.10 4.77 -0.03 -4.61 117.00 117.99 3mds n LEU 50 Ca 0.00 -1.20 0.11 0.00 -0.03 0.00 0.00 56.01 54.89 3mds n LEU 50 Cb 0.15 -0.10 0.47 0.00 -2.33 0.00 0.00 43.42 41.61 3mds n LEU 50 CO 0.17 0.59 0.83 1.41 -1.33 0.00 0.00 177.39 179.06 3mds n HIS 51 N 1.34 0.68 -0.70 -1.77 8.25 -0.85 -2.83 115.22 119.35 3mds n HIS 51 Ca 0.15 0.28 0.08 0.00 -0.26 0.00 0.00 57.72 57.97 3mds n HIS 51 Cb 0.58 -0.95 0.31 0.00 1.12 0.00 0.00 29.99 31.05 3mds n HIS 51 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mds n GLY 52 N -0.19 3.16 3.66 -1.41 0.00 -1.26 -3.01 105.19 106.14 3mds n GLY 52 Ca 0.02 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3mds n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mds s VAL 53 N -2.13 4.70 0.61 1.61 1.01 -1.13 -4.88 120.40 120.20 3mds s VAL 53 Ca 0.45 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 3mds s VAL 53 Cb 0.31 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3mds s VAL 53 CO 0.17 0.51 1.14 -1.61 0.00 0.00 0.00 175.10 175.31 3mds s GLU 54 N -0.02 2.98 0.35 2.72 0.41 -1.26 -4.39 118.70 119.48 3mds s GLU 54 Ca 0.06 1.58 0.02 0.00 -0.41 0.00 0.00 54.97 56.21 3mds s GLU 54 Cb -0.12 -1.96 0.63 0.00 -1.78 0.00 0.00 34.13 30.90 3mds s GLU 54 CO 0.01 -1.14 2.00 -0.24 -0.49 0.00 0.00 175.26 175.40 3mds h VAL 55 N 0.58 1.15 -0.97 2.63 3.04 -1.98 -0.74 116.25 119.96 3mds h VAL 55 Ca -0.49 -0.30 0.04 0.00 -1.01 0.00 0.00 66.70 64.94 3mds h VAL 55 Cb 1.26 0.19 -0.06 0.00 -2.01 0.00 0.00 31.29 30.68 3mds h VAL 55 CO 0.55 0.16 0.63 -0.33 -1.01 0.00 0.00 177.57 177.57 3mds h GLU 56 N 0.87 1.18 -0.49 4.17 3.07 -1.96 -0.79 114.58 120.63 3mds h GLU 56 Ca 0.25 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 3mds h GLU 56 Cb -0.04 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 27.59 3mds h GLU 56 CO -0.06 0.78 -0.13 0.28 -1.40 0.00 0.00 179.01 178.48 3mds h VAL 57 N 1.21 1.27 -0.69 3.13 2.07 -1.52 -2.39 116.25 119.33 3mds h VAL 57 Ca 0.39 -1.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 3mds h VAL 57 Cb 0.03 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3mds h VAL 57 CO -0.12 0.44 0.43 -0.07 0.02 0.00 0.00 177.57 178.27 3mds h LEU 58 N 0.81 0.82 -0.95 2.57 3.38 -0.83 -2.55 115.31 118.56 3mds h LEU 58 Ca 0.12 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3mds h LEU 58 Cb 0.69 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mds h LEU 58 CO 0.05 0.63 -0.22 -0.07 0.09 0.00 0.00 178.44 178.92 3mds h LEU 59 N 0.94 0.51 -0.76 1.67 3.38 -1.10 -2.50 115.31 117.45 3mds h LEU 59 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mds h LEU 59 Cb -0.05 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3mds h LEU 59 CO -0.05 0.73 0.00 0.03 0.09 0.00 0.00 178.44 179.24 3mds h ARG 60 N 0.45 0.00 -0.46 1.13 3.08 -1.17 -3.26 114.38 114.15 3mds h ARG 60 Ca 0.07 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.78 3mds h ARG 60 Cb 0.63 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.38 3mds h ARG 60 CO 0.05 0.00 -0.77 0.72 -1.07 0.00 0.00 179.97 178.90 3mds n HIS 61 N -2.87 1.66 -0.32 3.04 8.25 -0.98 -4.86 115.22 119.14 3mds n HIS 61 Ca 0.02 -1.91 0.11 0.00 -0.26 0.00 0.00 57.72 55.68 3mds n HIS 61 Cb 0.37 -0.29 0.28 0.00 1.12 0.00 0.00 29.99 31.47 3mds n HIS 61 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3mds h LEU 62 N 1.81 0.57 -2.73 2.41 3.38 -1.50 -1.34 115.31 117.91 3mds h LEU 62 Ca 0.18 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3mds h LEU 62 Cb 1.37 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3mds h LEU 62 CO 0.45 0.18 0.04 0.00 0.09 0.00 0.00 178.44 179.20 3mds h ALA 63 N 1.63 1.23 0.00 1.53 0.00 -1.89 -2.27 119.26 119.48 3mds h ALA 63 Ca 0.53 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.42 3mds h ALA 63 Cb 0.85 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3mds h ALA 63 CO -0.41 -0.05 -0.54 0.00 0.00 0.00 0.00 179.25 178.25 3mds h ALA 64 N 1.94 0.75 -2.55 0.00 0.00 -1.64 -3.47 119.26 114.29 3mds h ALA 64 Ca 0.01 -0.10 -0.49 0.00 0.00 0.00 0.00 54.91 54.32 3mds h ALA 64 Cb 0.08 0.01 0.05 0.00 0.00 0.00 0.00 17.79 17.93 3mds h ALA 64 CO -0.00 0.12 0.43 -0.51 0.00 0.00 0.00 179.25 179.30 3mds s LEU 65 N -5.87 3.91 0.31 0.00 1.43 -0.86 -4.94 118.68 112.66 3mds s LEU 65 Ca 0.03 2.14 -0.27 0.00 -1.03 0.00 0.00 54.13 55.00 3mds s LEU 65 Cb 0.07 -4.41 -0.14 0.00 0.03 0.00 0.00 46.19 41.75 3mds s LEU 65 CO 0.73 -0.91 0.92 -2.65 0.23 0.00 0.00 176.35 174.68 3mds n PRO 66 N -0.78 1.16 -0.11 1.29 -0.02 -1.26 -4.74 135.00 130.55 3mds n PRO 66 Ca 0.09 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3mds n PRO 66 Cb 0.50 -1.76 0.44 0.00 -0.02 0.00 0.00 33.50 32.66 3mds n PRO 66 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3mds h GLN 67 N 1.74 0.54 0.00 -0.52 -0.00 -1.94 -2.28 115.11 112.64 3mds h GLN 67 Ca -0.39 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 3mds h GLN 67 Cb 1.35 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 3mds h GLN 67 CO 0.59 0.36 0.00 -0.40 -0.00 0.00 0.00 178.83 179.37 3mds n ASP 68 N -4.48 0.36 -0.03 0.06 5.75 -1.26 -3.44 116.55 113.51 3mds n ASP 68 Ca 0.09 0.58 0.01 0.00 -0.01 0.00 0.00 54.79 55.46 3mds n ASP 68 Cb 0.27 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 3mds n ASP 68 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3mds n ILE 69 N -1.89 0.00 -0.10 2.12 -5.35 -0.88 -4.78 119.36 108.48 3mds n ILE 69 Ca 0.03 -0.49 -0.06 0.00 -0.27 0.00 0.00 62.75 61.97 3mds n ILE 69 Cb 0.22 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.14 3mds n ILE 69 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3mds h GLN 70 N 0.16 -0.04 -0.42 6.28 4.20 -1.54 0.82 115.11 124.58 3mds h GLN 70 Ca 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3mds h GLN 70 Cb 0.05 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3mds h GLN 70 CO 0.00 -0.02 -0.11 1.15 -0.67 0.00 0.00 178.83 179.17 3mds h THR 71 N -0.04 1.27 -0.65 -0.54 2.02 -1.87 -0.61 112.91 112.51 3mds h THR 71 Ca 0.17 -1.22 0.02 0.00 0.77 0.00 0.00 66.41 66.15 3mds h THR 71 Cb 0.30 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 3mds h THR 71 CO -0.39 0.41 0.41 0.00 0.37 0.00 0.00 175.52 176.33 3mds h ALA 72 N 0.85 0.83 -0.36 6.16 0.00 -1.79 0.33 119.26 125.28 3mds h ALA 72 Ca 0.10 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3mds h ALA 72 Cb 0.65 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mds h ALA 72 CO 0.04 0.19 -0.30 0.28 0.00 0.00 0.00 179.25 179.47 3mds h VAL 73 N 0.82 1.28 0.14 0.00 2.07 -0.71 -0.16 116.25 119.69 3mds h VAL 73 Ca 0.25 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.32 3mds h VAL 73 Cb -0.03 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3mds h VAL 73 CO -0.08 0.48 -0.18 -0.09 0.02 0.00 0.00 177.57 177.72 3mds h ARG 74 N 0.63 -0.36 -0.04 1.57 2.43 -0.84 0.44 114.38 118.21 3mds h ARG 74 Ca 0.06 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3mds h ARG 74 Cb 0.87 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3mds h ARG 74 CO 0.08 -0.24 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.28 3mds h ASN 75 N -0.37 0.17 0.53 -3.80 2.35 -0.95 -1.42 115.58 112.08 3mds h ASN 75 Ca 0.01 -0.61 -0.29 0.00 -0.55 0.00 0.00 56.30 54.87 3mds h ASN 75 Cb 0.37 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3mds h ASN 75 CO -0.07 0.74 -1.51 0.78 -1.65 0.00 0.00 177.43 175.72 3mds h ASN 76 N -0.40 0.23 -0.05 5.81 2.35 -1.06 -0.95 115.58 121.51 3mds h ASN 76 Ca -0.00 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.39 3mds h ASN 76 Cb 0.72 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 3mds h ASN 76 CO 0.02 1.29 0.00 1.23 -1.65 0.00 0.00 177.43 178.33 3mds h GLY 77 N 2.29 0.09 0.85 2.83 0.00 -0.22 -0.60 103.07 108.31 3mds h GLY 77 Ca -0.22 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3mds h GLY 77 CO 0.13 0.06 0.54 -1.33 0.00 0.00 0.00 176.54 175.94 3mds h GLY 78 N -0.20 1.23 0.88 4.60 0.00 -1.16 -1.15 103.07 107.27 3mds h GLY 78 Ca 0.01 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3mds h GLY 78 CO 0.00 0.34 0.26 -1.33 0.00 0.00 0.00 176.54 175.81 3mds h GLY 79 N 1.04 0.63 0.90 4.60 0.00 -0.98 -0.20 103.07 109.07 3mds h GLY 79 Ca 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 3mds h GLY 79 CO -0.13 0.17 -0.32 0.84 0.00 0.00 0.00 176.54 177.10 3mds h HIS 80 N 0.53 -0.84 -0.71 5.60 6.17 -0.91 -2.25 115.15 122.73 3mds h HIS 80 Ca 0.18 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 3mds h HIS 80 Cb 0.02 0.29 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 3mds h HIS 80 CO -0.07 -0.50 0.36 1.25 0.71 0.00 0.00 177.93 179.68 3mds h LEU 81 N -0.83 0.91 -0.26 0.26 5.85 -1.03 -1.99 115.31 118.21 3mds h LEU 81 Ca -0.07 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 3mds h LEU 81 Cb 0.66 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3mds h LEU 81 CO 0.09 0.77 0.08 0.78 -0.34 0.00 0.00 178.44 179.81 3mds h ASN 82 N 0.99 0.39 -0.01 1.25 2.35 -1.01 -2.61 115.58 116.92 3mds h ASN 82 Ca 0.25 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 3mds h ASN 82 Cb 0.08 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3mds h ASN 82 CO -0.04 0.50 -0.44 0.45 -1.65 0.00 0.00 177.43 176.25 3mds h HIS 83 N 0.25 0.66 -0.93 1.19 3.86 -1.37 -1.85 115.15 116.97 3mds h HIS 83 Ca 0.08 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3mds h HIS 83 Cb 0.25 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3mds h HIS 83 CO 0.01 0.90 0.57 0.77 0.86 0.00 0.00 177.93 181.04 3mds h SER 84 N 0.45 1.11 -0.31 2.45 0.02 -1.26 -1.56 113.55 114.46 3mds h SER 84 Ca 0.03 -0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 3mds h SER 84 Cb 0.95 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3mds h SER 84 CO 0.08 0.84 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.33 3mds h LEU 85 N 1.28 0.72 -0.67 5.07 3.38 -1.33 -3.08 115.31 120.68 3mds h LEU 85 Ca 0.34 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3mds h LEU 85 Cb -0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3mds h LEU 85 CO -0.06 1.00 0.42 0.15 0.09 0.00 0.00 178.44 180.04 3mds h PHE 86 N 0.44 0.79 -0.53 1.13 3.57 -0.76 -1.36 116.94 120.21 3mds h PHE 86 Ca 0.06 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3mds h PHE 86 Cb 0.77 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3mds h PHE 86 CO 0.07 0.47 -0.01 -1.49 -2.23 0.00 0.00 178.31 175.11 3mds h TRP 87 N 0.84 0.99 -0.54 0.41 -0.00 -1.33 -1.83 115.95 114.50 3mds h TRP 87 Ca 0.26 -0.16 -0.10 0.00 -0.00 0.00 0.00 58.89 58.90 3mds h TRP 87 Cb -0.02 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 28.86 3mds h TRP 87 CO -0.04 0.90 -0.06 0.00 -0.00 0.00 0.00 178.44 179.24 3mds h ARG 88 N 0.84 0.97 0.00 0.49 3.08 -1.37 -2.78 114.38 115.61 3mds h ARG 88 Ca 0.16 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.89 3mds h ARG 88 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3mds h ARG 88 CO 0.03 0.99 0.00 -0.07 -1.07 0.00 0.00 179.97 179.84 3mds h LEU 89 N 0.88 0.00 -2.18 3.04 3.38 -0.46 -2.77 115.31 117.20 3mds h LEU 89 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3mds h LEU 89 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3mds h LEU 89 CO 0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.75 3mds n LEU 90 N -2.79 3.28 -4.66 1.67 4.77 -0.84 -0.53 117.00 117.90 3mds n LEU 90 Ca 0.01 -1.36 -0.51 0.00 -0.03 0.00 0.00 56.01 54.12 3mds n LEU 90 Cb 0.26 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3mds n LEU 90 CO 0.24 0.68 1.24 0.41 -1.33 0.00 0.00 177.39 178.62 3mds n THR 91 N 1.41 0.23 -1.93 -5.08 -1.04 -1.05 -4.88 114.28 101.94 3mds n THR 91 Ca 0.18 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.80 3mds n THR 91 Cb 0.59 -1.38 0.04 0.00 -1.82 0.00 0.00 70.33 67.76 3mds n THR 91 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3mds s PRO 92 N 2.29 2.89 0.00 -2.82 0.02 -1.26 -4.15 135.00 131.98 3mds s PRO 92 Ca 0.89 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3mds s PRO 92 Cb -0.84 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 31.74 3mds s PRO 92 CO 0.50 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3mds n GLY 93 N 0.23 0.70 4.01 0.52 0.00 -1.26 -5.08 105.19 104.32 3mds n GLY 93 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 3mds n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mds s GLY 94 N -1.48 1.78 0.36 -0.02 0.00 -1.26 -5.05 107.32 101.65 3mds s GLY 94 Ca 0.00 -1.86 -0.27 0.00 0.00 0.00 0.00 44.72 42.58 3mds s GLY 94 CO 0.00 -1.43 1.27 0.00 0.00 0.00 0.00 173.10 172.94 3mds n ALA 95 N -2.37 1.24 1.18 3.20 0.00 -1.26 -4.79 120.51 117.71 3mds n ALA 95 Ca 0.13 0.33 0.13 0.00 0.00 0.00 0.00 53.44 54.03 3mds n ALA 95 Cb 0.61 -2.25 0.24 0.00 0.00 0.00 0.00 19.45 18.05 3mds n ALA 95 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mds n LYS 96 N 0.41 1.78 -4.00 0.00 5.02 -1.26 -1.35 118.16 118.76 3mds n LYS 96 Ca 0.05 -1.33 -0.08 0.00 -2.02 0.00 0.00 58.31 54.93 3mds n LYS 96 Cb 0.37 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 3mds n LYS 96 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3mds s GLU 97 N -2.14 0.57 0.53 1.97 2.02 -1.26 -4.96 118.70 115.42 3mds s GLU 97 Ca 0.29 -0.93 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 3mds s GLU 97 Cb 0.20 0.21 -0.07 0.00 0.10 0.00 0.00 34.13 34.57 3mds s GLU 97 CO 0.38 -0.12 1.05 -2.30 0.02 0.00 0.00 175.26 174.29 3mds n PRO 98 N 0.59 1.22 -4.36 0.39 -0.02 -1.26 -4.73 135.00 126.83 3mds n PRO 98 Ca -0.18 0.45 -0.19 0.00 -2.02 0.00 0.00 63.50 61.57 3mds n PRO 98 Cb 0.59 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3mds n PRO 98 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3mds s VAL 99 N -1.40 0.47 0.00 -1.45 -7.23 -1.26 -4.75 120.40 104.78 3mds s VAL 99 Ca 0.70 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 3mds s VAL 99 Cb -0.46 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 33.93 3mds s VAL 99 CO 0.51 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 3mds n GLY 100 N -0.59 1.93 0.33 2.32 0.00 -1.26 -1.77 105.19 106.15 3mds n GLY 100 Ca -0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3mds n GLY 100 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mds h GLU 101 N 0.00 1.03 -0.74 1.61 4.39 -2.00 -2.51 114.58 116.37 3mds h GLU 101 Ca 0.00 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 3mds h GLU 101 Cb 0.00 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 3mds h GLU 101 CO 0.00 0.84 0.31 1.25 -1.16 0.00 0.00 179.01 180.24 3mds h LEU 102 N 1.01 0.99 -0.40 1.33 5.85 -1.90 -0.78 115.31 121.40 3mds h LEU 102 Ca 0.23 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3mds h LEU 102 Cb 0.19 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3mds h LEU 102 CO -0.02 0.87 0.26 0.50 -0.34 0.00 0.00 178.44 179.72 3mds h LYS 103 N 1.06 0.53 -0.52 1.25 3.64 -0.92 0.92 116.57 122.53 3mds h LYS 103 Ca 0.25 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 3mds h LYS 103 Cb 0.18 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3mds h LYS 103 CO -0.02 0.35 0.30 0.87 -2.27 0.00 0.00 179.45 178.68 3mds h LYS 104 N 0.54 0.58 -0.66 1.90 1.57 -1.11 0.22 116.57 119.61 3mds h LYS 104 Ca 0.15 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 3mds h LYS 104 Cb -0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3mds h LYS 104 CO -0.03 0.38 0.18 0.00 -0.57 0.00 0.00 179.45 179.41 3mds h ALA 105 N 1.25 0.87 -0.38 3.86 0.00 -0.83 -1.85 119.26 122.18 3mds h ALA 105 Ca 0.22 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3mds h ALA 105 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3mds h ALA 105 CO -0.11 0.57 -0.04 0.82 0.00 0.00 0.00 179.25 180.49 3mds h ILE 106 N 0.97 1.27 -0.64 0.00 2.04 -0.33 -1.29 117.51 119.53 3mds h ILE 106 Ca 0.21 -1.07 -0.06 0.00 1.00 0.00 0.00 64.86 64.94 3mds h ILE 106 Cb 0.34 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3mds h ILE 106 CO -0.00 0.36 0.16 0.44 0.00 0.00 0.00 178.15 179.11 3mds h ASP 107 N 0.50 0.94 -0.15 1.72 3.32 -0.81 0.14 116.42 122.08 3mds h ASP 107 Ca 0.10 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 3mds h ASP 107 Cb 0.53 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3mds h ASP 107 CO 0.03 0.91 -0.73 -0.33 -1.72 0.00 0.00 179.24 177.39 3mds h GLU 108 N 0.96 0.77 0.03 3.56 5.08 -1.22 -2.60 114.58 121.16 3mds h GLU 108 Ca 0.21 -0.62 -0.32 0.00 -1.00 0.00 0.00 59.36 57.62 3mds h GLU 108 Cb 0.33 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 3mds h GLU 108 CO -0.00 1.23 -1.88 1.04 -1.00 0.00 0.00 179.01 178.40 3mds n GLN 109 N -3.98 0.67 -0.01 2.33 6.02 -0.50 -4.54 117.38 117.37 3mds n GLN 109 Ca -0.07 0.25 0.04 0.00 -0.01 0.00 0.00 57.00 57.21 3mds n GLN 109 Cb 0.72 -1.73 -0.09 0.00 1.02 0.00 0.00 30.24 30.16 3mds n GLN 109 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3mds n PHE 110 N -3.11 0.00 -0.00 1.08 3.72 -0.00 -5.03 117.46 114.11 3mds n PHE 110 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3mds n PHE 110 Cb 1.06 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 3mds n PHE 110 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mds n GLY 111 N 1.95 0.28 0.00 1.37 0.00 -0.97 -4.70 105.19 103.11 3mds n GLY 111 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mds n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mds n GLY 112 N -2.00 3.22 0.31 -0.02 0.00 -1.23 -4.86 105.19 100.61 3mds n GLY 112 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 3mds n GLY 112 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3mds h PHE 113 N 0.00 0.78 -0.77 1.61 3.57 -1.94 -2.66 116.94 117.52 3mds h PHE 113 Ca 0.00 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 3mds h PHE 113 Cb 0.00 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 3mds h PHE 113 CO 0.00 0.61 0.31 1.96 -2.23 0.00 0.00 178.31 178.96 3mds h GLN 114 N 0.77 1.15 -0.45 1.11 1.08 -1.97 -0.72 115.11 116.07 3mds h GLN 114 Ca 0.19 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 3mds h GLN 114 Cb 0.15 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 3mds h GLN 114 CO -0.02 0.92 -0.13 0.00 -0.95 0.00 0.00 178.83 178.65 3mds h ALA 115 N 1.22 0.63 -0.54 3.87 0.00 -1.81 -2.63 119.26 120.00 3mds h ALA 115 Ca 0.26 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3mds h ALA 115 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3mds h ALA 115 CO -0.02 0.54 0.16 1.25 0.00 0.00 0.00 179.25 181.18 3mds h LEU 116 N 0.73 0.79 -0.99 0.00 7.12 -1.11 -2.24 115.31 119.62 3mds h LEU 116 Ca 0.11 -0.21 0.01 0.00 0.13 0.00 0.00 57.88 57.92 3mds h LEU 116 Cb 0.68 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 40.56 3mds h LEU 116 CO 0.05 0.80 0.66 0.50 -0.13 0.00 0.00 178.44 180.32 3mds h LYS 117 N 0.75 1.31 -0.36 1.25 3.64 -1.09 0.22 116.57 122.29 3mds h LYS 117 Ca 0.17 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3mds h LYS 117 Cb 0.30 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3mds h LYS 117 CO -0.00 0.87 -0.14 1.49 -2.27 0.00 0.00 179.45 179.39 3mds h GLU 118 N 1.35 0.73 -0.30 1.90 4.81 -1.24 -0.01 114.58 121.81 3mds h GLU 118 Ca 0.36 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3mds h GLU 118 Cb -0.16 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3mds h GLU 118 CO -0.08 0.91 0.00 0.87 -0.73 0.00 0.00 179.01 179.98 3mds h LYS 119 N 0.51 0.54 -0.48 1.92 1.57 -0.75 -0.65 116.57 119.23 3mds h LYS 119 Ca 0.08 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3mds h LYS 119 Cb 0.68 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3mds h LYS 119 CO 0.05 0.68 0.04 -0.07 -0.57 0.00 0.00 179.45 179.58 3mds h LEU 120 N 0.33 0.72 -0.41 2.94 3.38 -0.52 -1.67 115.31 120.08 3mds h LEU 120 Ca 0.09 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3mds h LEU 120 Cb 0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3mds h LEU 120 CO 0.02 0.76 0.05 0.74 0.09 0.00 0.00 178.44 180.10 3mds h THR 121 N 0.73 1.25 -0.90 0.22 2.02 -0.65 -0.45 112.91 115.12 3mds h THR 121 Ca 0.15 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 3mds h THR 121 Cb 0.38 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3mds h THR 121 CO 0.01 0.31 0.54 1.56 0.37 0.00 0.00 175.52 178.32 3mds h GLN 122 N 0.54 1.22 -0.56 6.66 4.20 -0.94 0.61 115.11 126.85 3mds h GLN 122 Ca 0.12 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3mds h GLN 122 Cb 0.40 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3mds h GLN 122 CO 0.01 0.86 -0.03 0.00 -0.67 0.00 0.00 178.83 178.99 3mds h ALA 123 N 1.30 0.88 -0.20 3.87 0.00 -1.00 -0.64 119.26 123.47 3mds h ALA 123 Ca 0.32 -0.32 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 3mds h ALA 123 Cb -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3mds h ALA 123 CO -0.06 0.65 -0.56 0.00 0.00 0.00 0.00 179.25 179.28 3mds h ALA 124 N 1.04 0.34 -0.26 0.00 0.00 -0.51 -2.92 119.26 116.95 3mds h ALA 124 Ca 0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3mds h ALA 124 Cb 0.57 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mds h ALA 124 CO 0.03 0.56 -0.13 0.52 0.00 0.00 0.00 179.25 180.23 3mds h MET 125 N 0.46 0.44 -0.00 0.00 2.07 -0.85 -2.99 114.93 114.05 3mds h MET 125 Ca -0.01 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 3mds h MET 125 Cb 1.18 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.86 3mds h MET 125 CO 0.12 0.57 -0.14 0.41 1.07 0.00 0.00 176.91 178.94 3mds n GLY 126 N -0.67 -1.24 3.55 8.32 0.00 -0.25 -4.67 105.19 110.23 3mds n GLY 126 Ca 0.00 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3mds n GLY 126 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mds s ARG 127 N -2.78 3.20 0.06 1.61 6.06 -1.11 -4.99 118.95 121.00 3mds s ARG 127 Ca 0.20 -0.26 -0.30 0.00 -2.50 0.00 0.00 55.73 52.86 3mds s ARG 127 Cb 0.19 -4.21 -0.05 0.00 0.06 0.00 0.00 34.95 30.94 3mds s ARG 127 CO 0.54 -2.15 1.13 0.12 -2.50 0.00 0.00 175.30 172.44 3mds s PHE 128 N 5.73 3.52 0.00 5.12 5.36 -1.26 -4.77 117.98 131.68 3mds s PHE 128 Ca 0.35 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3mds s PHE 128 Cb -0.08 -3.32 0.00 0.00 -0.34 0.00 0.00 43.02 39.28 3mds s PHE 128 CO 0.14 -0.86 0.00 0.41 -1.46 0.00 0.00 175.22 173.45 3mds n GLY 129 N 2.96 -0.16 3.86 13.12 0.00 -1.26 -4.89 105.19 118.82 3mds n GLY 129 Ca 0.07 -1.37 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 3mds n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mds s SER 130 N -4.00 6.74 0.00 1.61 0.01 -1.26 -4.80 113.70 112.00 3mds s SER 130 Ca 0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 3mds s SER 130 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 3mds s SER 130 CO 0.00 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.34 3mds n GLY 131 N 0.62 -1.27 2.97 3.44 0.00 -1.26 -0.89 105.19 108.79 3mds n GLY 131 Ca -0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 3mds n GLY 131 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mds s TRP 132 N -3.00 0.42 -0.06 1.61 0.52 -0.71 -1.17 118.94 116.54 3mds s TRP 132 Ca 0.00 -0.19 -0.03 0.00 0.02 0.00 0.00 56.10 55.89 3mds s TRP 132 Cb 0.00 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 32.02 3mds s TRP 132 CO 0.00 -0.04 0.09 0.00 0.02 0.00 0.00 176.95 177.03 3mds s ALA 133 N -0.47 3.66 0.03 0.98 0.00 -0.22 -1.18 121.76 124.57 3mds s ALA 133 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3mds s ALA 133 Cb -0.04 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3mds s ALA 133 CO -0.00 0.65 -0.06 -1.58 0.00 0.00 0.00 175.76 174.77 3mds s TRP 134 N -1.08 0.54 -0.21 0.00 0.52 0.41 0.07 118.94 119.19 3mds s TRP 134 Ca 0.18 -0.51 -0.06 0.00 0.02 0.00 0.00 56.10 55.74 3mds s TRP 134 Cb -0.12 -0.34 -0.03 0.00 -1.15 0.00 0.00 33.47 31.84 3mds s TRP 134 CO 0.08 -0.12 0.02 -1.17 0.02 0.00 0.00 176.95 175.79 3mds s LEU 135 N -1.53 3.37 0.23 2.99 2.96 0.69 -2.39 118.68 125.01 3mds s LEU 135 Ca -0.12 -0.17 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3mds s LEU 135 Cb -0.10 -1.87 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 3mds s LEU 135 CO -0.00 0.05 -0.06 0.68 -1.32 0.00 0.00 176.35 175.70 3mds s VAL 136 N 1.07 1.39 -0.03 1.68 -7.23 0.08 -0.82 120.40 116.54 3mds s VAL 136 Ca 0.03 -2.10 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 3mds s VAL 136 Cb -0.14 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3mds s VAL 136 CO 0.02 -0.41 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.41 3mds s LYS 137 N -3.76 2.22 0.44 4.82 2.20 -0.18 -1.26 119.74 124.23 3mds s LYS 137 Ca 0.26 -0.89 0.08 0.00 -0.36 0.00 0.00 55.97 55.07 3mds s LYS 137 Cb 0.04 -2.11 0.01 0.00 -1.51 0.00 0.00 37.83 34.25 3mds s LYS 137 CO 0.09 0.55 0.52 0.16 -0.36 0.00 0.00 175.35 176.31 3mds s ASP 138 N -0.58 5.34 0.03 1.43 1.47 -0.67 -0.89 116.67 122.79 3mds s ASP 138 Ca 0.09 -0.62 0.09 0.00 1.18 0.00 0.00 52.55 53.30 3mds s ASP 138 Cb -0.10 -0.47 0.41 0.00 -0.34 0.00 0.00 42.92 42.41 3mds s ASP 138 CO -0.00 -0.81 1.29 -2.65 0.68 0.00 0.00 175.17 173.69 3mds n PRO 139 N -1.79 0.02 -0.52 2.11 -0.02 -1.26 -2.44 135.00 131.10 3mds n PRO 139 Ca 0.07 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 3mds n PRO 139 Cb 0.60 -1.54 0.33 0.00 -0.02 0.00 0.00 33.50 32.88 3mds n PRO 139 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mds n PHE 140 N -1.57 1.27 -1.00 6.00 3.72 -1.26 -4.94 117.46 119.68 3mds n PHE 140 Ca 0.02 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 3mds n PHE 140 Cb 0.10 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3mds n PHE 140 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mds n GLY 141 N 1.20 0.48 3.87 1.37 0.00 -1.02 -5.05 105.19 106.04 3mds n GLY 141 Ca 0.25 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 3mds n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mds s LYS 142 N -0.29 3.68 -0.01 1.61 -0.14 -1.26 -4.92 119.74 118.40 3mds s LYS 142 Ca 0.00 0.07 -0.07 0.00 -1.36 0.00 0.00 55.97 54.61 3mds s LYS 142 Cb 0.00 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 3mds s LYS 142 CO 0.00 0.63 0.25 -0.51 -0.76 0.00 0.00 175.35 174.96 3mds s LEU 143 N -1.71 4.38 0.03 3.17 1.43 -1.26 -1.68 118.68 123.05 3mds s LEU 143 Ca 0.29 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.95 3mds s LEU 143 Cb -0.14 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 43.49 3mds s LEU 143 CO 0.16 0.28 -0.06 -1.00 0.23 0.00 0.00 176.35 175.96 3mds s HIS 144 N -1.25 0.55 -0.18 0.29 3.76 -0.39 -4.98 115.29 113.09 3mds s HIS 144 Ca 0.25 -0.49 -0.03 0.00 -0.15 0.00 0.00 55.06 54.64 3mds s HIS 144 Cb -0.13 -0.34 -0.01 0.00 1.11 0.00 0.00 32.58 33.20 3mds s HIS 144 CO 0.14 -0.11 -0.07 0.08 -0.85 0.00 0.00 174.74 173.94 3mds s VAL 145 N -1.35 3.37 0.23 -0.90 1.01 -1.26 -0.74 120.40 120.76 3mds s VAL 145 Ca -0.11 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3mds s VAL 145 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3mds s VAL 145 CO 0.00 0.46 0.43 -1.48 0.00 0.00 0.00 175.10 174.51 3mds s LEU 146 N 0.98 0.45 0.21 3.92 0.05 -1.00 -5.01 118.68 118.28 3mds s LEU 146 Ca -0.00 -0.95 0.09 0.00 0.05 0.00 0.00 54.13 53.31 3mds s LEU 146 Cb -0.15 1.59 -0.05 0.00 -2.05 0.00 0.00 46.19 45.53 3mds s LEU 146 CO 0.00 -1.08 -0.17 -0.94 -0.55 0.00 0.00 176.35 173.61 3mds s SER 147 N -3.02 2.89 0.10 1.48 1.04 -1.26 -0.44 113.70 114.48 3mds s SER 147 Ca 0.23 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 55.74 3mds s SER 147 Cb 0.00 -0.19 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 3mds s SER 147 CO 0.08 -0.07 -0.14 0.42 0.98 0.00 0.00 173.24 174.51 3mds s THR 148 N -2.58 1.19 0.38 2.02 -4.23 -0.32 -4.99 115.64 107.12 3mds s THR 148 Ca 0.23 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 59.08 3mds s THR 148 Cb -0.03 -1.31 -0.08 0.00 1.34 0.00 0.00 72.50 72.42 3mds s THR 148 CO 0.09 -0.34 0.79 -2.16 -0.54 0.00 0.00 174.62 172.46 3mds s PRO 149 N -2.25 3.92 4.42 3.99 0.04 -1.26 -1.74 135.00 142.12 3mds s PRO 149 Ca 0.04 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.72 3mds s PRO 149 Cb -0.07 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3mds s PRO 149 CO 0.02 0.03 0.00 0.09 0.04 0.00 0.00 177.00 177.18 3mds n ASN 150 N -0.87 0.00 -1.61 6.66 5.03 -0.07 -1.14 115.26 123.27 3mds n ASN 150 Ca 0.04 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.46 3mds n ASN 150 Cb 0.54 0.00 0.27 0.00 -1.02 0.00 0.00 39.78 39.57 3mds n ASN 150 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3mds n GLN 151 N 14.00 3.17 -2.10 3.52 1.13 -1.26 -4.09 117.38 131.75 3mds n GLN 151 Ca 0.00 -3.05 -0.41 0.00 -1.94 0.00 0.00 57.00 51.60 3mds n GLN 151 Cb 0.00 -2.06 -0.02 0.00 0.11 0.00 0.00 30.24 28.27 3mds n GLN 151 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3mds s ASP 152 N -1.52 6.75 -0.07 1.08 1.11 -0.29 -4.00 116.67 119.73 3mds s ASP 152 Ca 0.50 2.66 0.01 0.00 0.18 0.00 0.00 52.55 55.90 3mds s ASP 152 Cb 0.41 -2.64 -0.03 0.00 1.07 0.00 0.00 42.92 41.74 3mds s ASP 152 CO 0.10 -0.58 -0.09 0.21 1.18 0.00 0.00 175.17 175.99 3mds s ASN 153 N -0.20 4.45 0.66 0.27 3.84 -1.26 -4.77 114.94 117.93 3mds s ASN 153 Ca 0.52 -0.09 0.29 0.00 0.21 0.00 0.00 52.86 53.79 3mds s ASN 153 Cb -0.40 -1.15 1.56 0.00 -0.55 0.00 0.00 41.25 40.71 3mds s ASN 153 CO 0.49 0.33 1.89 -0.65 -2.79 0.00 0.00 177.10 176.37 3mds h PRO 154 N 5.45 0.00 -0.10 0.43 0.11 -1.95 -1.73 132.00 134.21 3mds h PRO 154 Ca -0.46 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3mds h PRO 154 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mds h PRO 154 CO 0.53 0.00 0.09 -0.39 -0.21 0.00 0.00 178.00 178.02 3mds h VAL 155 N 0.00 0.64 -0.02 3.15 -1.51 -1.94 -1.98 116.25 114.59 3mds h VAL 155 Ca 0.03 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.50 3mds h VAL 155 Cb 0.77 0.93 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3mds h VAL 155 CO -0.00 0.00 0.02 0.24 -1.23 0.00 0.00 177.57 176.59 3mds h MET 156 N 0.00 0.00 -0.52 5.19 2.86 -1.55 -2.09 114.93 118.82 3mds h MET 156 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3mds h MET 156 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3mds h MET 156 CO -0.00 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.36 3mds n GLU 157 N -4.23 2.68 -0.49 1.72 1.02 -0.79 -4.85 120.64 115.69 3mds n GLU 157 Ca -0.03 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 3mds n GLU 157 Cb 0.11 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3mds n GLU 157 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mds n GLY 158 N 1.15 0.75 3.93 0.62 0.00 -0.79 -5.09 105.19 105.77 3mds n GLY 158 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3mds n GLY 158 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mds s PHE 159 N -2.15 3.51 -0.24 1.61 0.08 -0.92 -4.60 117.98 115.27 3mds s PHE 159 Ca 0.00 0.49 -0.04 0.00 0.12 0.00 0.00 56.93 57.50 3mds s PHE 159 Cb 0.00 -2.04 0.01 0.00 -0.57 0.00 0.00 43.02 40.42 3mds s PHE 159 CO 0.00 -0.02 -0.03 0.99 -0.10 0.00 0.00 175.22 176.06 3mds s THR 160 N -2.46 3.29 0.27 0.64 2.01 -0.07 -3.45 115.64 115.86 3mds s THR 160 Ca 0.43 -0.71 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 3mds s THR 160 Cb -0.10 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.73 3mds s THR 160 CO 0.39 0.29 1.18 -2.16 -0.69 0.00 0.00 174.62 173.63 3mds s PRO 161 N 1.43 4.53 -0.08 4.92 0.04 -1.26 -1.01 135.00 143.56 3mds s PRO 161 Ca 0.03 1.94 -0.06 0.00 0.04 0.00 0.00 61.00 62.95 3mds s PRO 161 Cb -0.15 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 3mds s PRO 161 CO -0.03 0.04 -0.14 -0.89 0.04 0.00 0.00 177.00 176.02 3mds n ILE 162 N 1.38 0.79 -4.81 0.56 5.41 -0.00 -4.88 119.36 117.80 3mds n ILE 162 Ca 0.00 -0.04 -0.26 0.00 1.00 0.00 0.00 62.75 63.46 3mds n ILE 162 Cb 0.44 -1.71 -0.16 0.00 -0.71 0.00 0.00 39.64 37.50 3mds n ILE 162 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3mds s VAL 163 N -2.24 1.40 -0.04 1.39 1.01 -0.93 -4.72 120.40 116.27 3mds s VAL 163 Ca -0.14 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3mds s VAL 163 Cb 0.05 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3mds s VAL 163 CO 0.19 0.41 -0.12 -0.83 0.00 0.00 0.00 175.10 174.74 3mds s GLY 164 N 0.11 0.71 -0.19 4.51 0.00 -1.26 -0.22 107.32 110.97 3mds s GLY 164 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3mds s GLY 164 CO 0.02 -0.09 -0.17 -0.42 0.00 0.00 0.00 173.10 172.45 3mds s ILE 165 N 0.30 2.27 -0.21 0.90 1.01 0.11 -4.84 121.20 120.74 3mds s ILE 165 Ca -0.07 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.39 3mds s ILE 165 Cb -0.12 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3mds s ILE 165 CO 0.02 0.49 1.31 -0.62 0.00 0.00 0.00 174.94 176.14 3mds s ASP 166 N 1.31 6.81 -0.14 3.58 -1.08 -1.26 -1.05 116.67 124.83 3mds s ASP 166 Ca 0.04 1.54 0.17 0.00 -0.52 0.00 0.00 52.55 53.78 3mds s ASP 166 Cb -0.14 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.19 3mds s ASP 166 CO -0.11 -0.90 1.29 1.33 0.52 0.00 0.00 175.17 177.29 3mds n VAL 167 N 5.72 2.00 -1.99 1.11 0.24 -0.32 -4.88 118.33 120.22 3mds n VAL 167 Ca 0.15 -1.94 -0.36 0.00 -2.04 0.00 0.00 64.34 60.14 3mds n VAL 167 Cb 0.45 -0.17 0.04 0.00 -1.47 0.00 0.00 33.84 32.69 3mds n VAL 167 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3mds s TRP 168 N -2.66 2.36 0.48 6.34 0.52 -1.18 -4.43 118.94 120.37 3mds s TRP 168 Ca 0.35 1.51 0.13 0.00 0.02 0.00 0.00 56.10 58.12 3mds s TRP 168 Cb 0.29 -3.51 1.12 0.00 -1.15 0.00 0.00 33.47 30.23 3mds s TRP 168 CO 0.07 -2.29 2.10 0.93 0.02 0.00 0.00 176.95 177.77 3mds h GLU 169 N 0.89 0.21 0.00 4.98 5.08 -1.95 -1.20 114.58 122.59 3mds h GLU 169 Ca -0.51 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3mds h GLU 169 Cb 1.30 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3mds h GLU 169 CO 0.55 0.14 0.00 1.12 -1.00 0.00 0.00 179.01 179.82 3mds h HIS 170 N 0.21 0.00 0.00 4.33 2.07 -1.99 0.49 115.15 120.27 3mds h HIS 170 Ca 0.08 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.56 3mds h HIS 170 Cb 0.08 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.05 3mds h HIS 170 CO -0.00 0.00 -0.23 0.00 -3.07 0.00 0.00 177.93 174.63 3mds h ALA 171 N 2.03 0.93 0.00 6.11 0.00 -1.55 -3.39 119.26 123.39 3mds h ALA 171 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3mds h ALA 171 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3mds h ALA 171 CO 0.00 0.29 0.00 2.48 0.00 0.00 0.00 179.25 182.02 3mds n TYR 172 N -3.27 0.00 -0.26 0.00 0.18 -0.85 -4.95 117.16 108.01 3mds n TYR 172 Ca 0.01 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.74 3mds n TYR 172 Cb 0.51 0.00 0.08 0.00 -0.38 0.00 0.00 39.34 39.55 3mds n TYR 172 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 3mds h TYR 173 N 0.00 1.17 -0.71 -3.48 3.20 -1.12 0.43 116.97 116.47 3mds h TYR 173 Ca 0.00 -0.10 0.01 0.00 3.14 0.00 0.00 58.73 61.78 3mds h TYR 173 Cb 0.23 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3mds h TYR 173 CO 0.00 0.91 0.46 -0.07 -1.64 0.00 0.00 178.16 177.82 3mds h LEU 174 N 1.10 0.79 0.07 2.82 3.38 -1.86 0.06 115.31 121.66 3mds h LEU 174 Ca 0.24 -0.02 -0.37 0.00 0.09 0.00 0.00 57.88 57.83 3mds h LEU 174 Cb 0.27 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3mds h LEU 174 CO -0.01 0.56 -2.18 1.17 0.09 0.00 0.00 178.44 178.07 3mds n LYS 175 N -4.61 0.71 -0.00 1.13 4.81 -1.19 -4.63 118.16 114.38 3mds n LYS 175 Ca 0.07 0.21 0.07 0.00 -0.87 0.00 0.00 58.31 57.79 3mds n LYS 175 Cb 0.04 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 33.37 3mds n LYS 175 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3mds n TYR 176 N -3.35 0.00 0.00 5.64 4.01 0.14 -5.07 117.16 118.52 3mds n TYR 176 Ca -0.36 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 3mds n TYR 176 Cb 1.03 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 3mds n TYR 176 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3mds n GLN 177 N -1.35 0.00 0.00 -0.72 3.00 0.01 -1.24 117.38 117.07 3mds n GLN 177 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.11 3mds n GLN 177 Cb 0.23 0.00 0.43 0.00 0.00 0.00 0.00 30.24 30.91 3mds n GLN 177 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 3mds n ASN 178 N 4.18 0.00 -3.75 1.08 6.94 -1.26 -4.46 115.26 117.99 3mds n ASN 178 Ca 0.00 0.29 -0.42 0.00 -0.02 0.00 0.00 54.58 54.43 3mds n ASN 178 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 3mds n ASN 178 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3mds n ARG 179 N -1.41 3.17 -0.19 -3.83 1.74 -0.37 -4.73 116.66 111.04 3mds n ARG 179 Ca 0.06 -2.89 0.05 0.00 -0.77 0.00 0.00 57.85 54.30 3mds n ARG 179 Cb 0.19 -3.14 0.32 0.00 -1.02 0.00 0.00 32.46 28.82 3mds n ARG 179 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3mds h ARG 180 N 5.84 0.80 -0.89 5.56 2.43 -1.84 -1.65 114.38 124.62 3mds h ARG 180 Ca 0.53 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.67 3mds h ARG 180 Cb 0.61 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 3mds h ARG 180 CO 1.79 0.53 0.59 0.00 -1.51 0.00 0.00 179.97 181.37 3mds h ALA 181 N 1.59 1.39 -0.31 2.80 0.00 -1.98 -0.05 119.26 122.71 3mds h ALA 181 Ca 0.30 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 3mds h ALA 181 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mds h ALA 181 CO -0.10 0.54 -0.43 -0.44 0.00 0.00 0.00 179.25 178.83 3mds h ASP 182 N 1.17 0.84 -0.55 0.00 3.32 -1.72 -1.80 116.42 117.68 3mds h ASP 182 Ca 0.34 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3mds h ASP 182 Cb -0.08 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 3mds h ASP 182 CO -0.09 1.15 0.27 0.22 -1.72 0.00 0.00 179.24 179.08 3mds h TYR 183 N 0.63 0.79 -0.32 4.55 3.20 -0.91 -2.52 116.97 122.38 3mds h TYR 183 Ca 0.04 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 3mds h TYR 183 Cb 1.00 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 3mds h TYR 183 CO 0.05 0.61 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.93 3mds h LEU 184 N 0.74 0.59 -0.96 2.82 3.38 -0.71 -1.58 115.31 119.60 3mds h LEU 184 Ca 0.19 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3mds h LEU 184 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3mds h LEU 184 CO -0.03 0.79 0.64 -0.61 0.09 0.00 0.00 178.44 179.32 3mds h GLN 185 N 0.53 1.27 -0.39 1.13 4.15 -1.23 -2.71 115.11 117.86 3mds h GLN 185 Ca 0.09 -0.08 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 3mds h GLN 185 Cb 0.62 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3mds h GLN 185 CO 0.04 0.84 -0.35 0.00 -1.93 0.00 0.00 178.83 177.44 3mds h ALA 186 N 1.35 0.65 -0.50 3.38 0.00 -0.98 -3.23 119.26 119.93 3mds h ALA 186 Ca 0.35 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.95 3mds h ALA 186 Cb -0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3mds h ALA 186 CO -0.08 0.67 0.35 0.97 0.00 0.00 0.00 179.25 181.17 3mds h ILE 187 N 0.74 0.81 0.00 0.00 6.09 -0.97 -1.12 117.51 123.07 3mds h ILE 187 Ca 0.07 -0.05 -0.03 0.00 -1.37 0.00 0.00 64.86 63.49 3mds h ILE 187 Cb 0.92 0.66 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 3mds h ILE 187 CO 0.09 0.02 -0.13 -0.50 -3.07 0.00 0.00 178.15 174.56 3mds h TRP 188 N 0.13 0.00 0.00 2.19 4.06 -1.58 -1.21 115.95 119.55 3mds h TRP 188 Ca 0.24 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.19 3mds h TRP 188 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 3mds h TRP 188 CO -0.00 0.13 0.00 -0.91 -3.56 0.00 0.00 178.44 174.10 3mds h ASN 189 N 0.00 0.00 -0.00 -3.49 2.35 -1.38 -3.32 115.58 109.74 3mds h ASN 189 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mds h ASN 189 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3mds h ASN 189 CO 0.02 0.00 -0.24 1.33 -1.65 0.00 0.00 177.43 176.88 3mds n VAL 190 N -2.57 0.00 -2.17 2.81 0.24 -0.53 -5.02 118.33 111.09 3mds n VAL 190 Ca 0.04 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.55 3mds n VAL 190 Cb 0.41 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.79 3mds n VAL 190 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3mds s LEU 191 N -1.97 4.41 -0.55 1.34 1.43 -0.78 -4.55 118.68 118.01 3mds s LEU 191 Ca 0.04 2.47 -0.18 0.00 -1.03 0.00 0.00 54.13 55.43 3mds s LEU 191 Cb 0.05 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.76 3mds s LEU 191 CO 0.23 -0.57 0.60 0.21 0.23 0.00 0.00 176.35 177.05 3mds s ASN 192 N 0.31 6.19 0.24 2.29 3.84 0.31 -4.61 114.94 123.51 3mds s ASN 192 Ca 0.57 -1.43 0.24 0.00 0.21 0.00 0.00 52.86 52.45 3mds s ASN 192 Cb -0.38 -2.26 0.94 0.00 -0.55 0.00 0.00 41.25 39.00 3mds s ASN 192 CO 0.40 -0.95 1.72 0.79 -2.79 0.00 0.00 177.10 176.27 3mds n TRP 193 N 5.88 0.81 0.06 0.43 7.02 -0.46 -2.13 117.44 129.05 3mds n TRP 193 Ca -0.11 0.30 -0.11 0.00 -1.02 0.00 0.00 57.50 56.56 3mds n TRP 193 Cb 0.42 -0.98 -0.01 0.00 -2.42 0.00 0.00 31.31 28.32 3mds n TRP 193 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3mds h ASP 194 N 0.00 0.50 -0.29 -0.99 3.32 -1.90 -1.37 116.42 115.69 3mds h ASP 194 Ca 0.00 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.58 3mds h ASP 194 Cb 0.44 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3mds h ASP 194 CO 0.00 1.14 -0.22 0.58 -1.72 0.00 0.00 179.24 179.02 3mds h VAL 195 N 0.25 1.30 -0.94 -1.35 2.07 -1.78 -2.35 116.25 113.46 3mds h VAL 195 Ca -0.05 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.16 3mds h VAL 195 Cb 1.45 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.69 3mds h VAL 195 CO 0.14 0.44 0.60 0.00 0.02 0.00 0.00 177.57 178.77 3mds h ALA 196 N 0.73 1.27 -0.87 1.67 0.00 -1.46 -1.34 119.26 119.26 3mds h ALA 196 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mds h ALA 196 Cb 0.77 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3mds h ALA 196 CO 0.06 0.41 0.57 1.49 0.00 0.00 0.00 179.25 181.78 3mds h GLU 197 N 1.12 1.16 -0.24 0.00 4.57 -1.01 -1.00 114.58 119.18 3mds h GLU 197 Ca 0.39 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 3mds h GLU 197 Cb 0.10 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 3mds h GLU 197 CO -0.15 0.77 0.15 1.49 -1.18 0.00 0.00 179.01 180.10 3mds h GLU 198 N 1.19 0.31 -0.73 1.92 4.81 -0.77 -1.10 114.58 120.21 3mds h GLU 198 Ca 0.32 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 3mds h GLU 198 Cb -0.12 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3mds h GLU 198 CO -0.07 0.22 0.41 0.74 -0.73 0.00 0.00 179.01 179.58 3mds h PHE 199 N 0.32 0.99 -0.36 0.92 0.04 -0.85 -2.55 116.94 115.44 3mds h PHE 199 Ca 0.09 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 3mds h PHE 199 Cb -0.03 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.78 3mds h PHE 199 CO -0.06 0.69 -0.08 0.35 -0.60 0.00 0.00 178.31 178.62 3mds h PHE 200 N 1.01 0.65 0.00 -0.55 3.57 -0.84 -2.81 116.94 117.97 3mds h PHE 200 Ca 0.26 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 3mds h PHE 200 Cb 0.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 3mds h PHE 200 CO -0.00 0.67 -0.59 0.87 -2.23 0.00 0.00 178.31 177.03 3mds h LYS 201 N 0.57 0.00 -0.01 1.11 1.57 -0.99 -2.97 116.57 115.85 3mds h LYS 201 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3mds h LYS 201 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3mds h LYS 201 CO 0.03 0.59 -0.23 1.17 -0.57 0.00 0.00 179.45 180.43 3mds n LYS 202 N -3.29 0.90 0.00 3.15 0.00 -0.98 -5.10 118.16 112.84 3mds n LYS 202 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 58.31 57.80 3mds n LYS 202 Cb 0.75 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.29 3mds n LYS 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40