#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mds n TYR 2 N 0.00 2.74 -2.66 0.54 4.19 -1.16 -3.65 117.16 117.17 3mds n TYR 2 Ca 0.00 0.40 -0.41 0.00 3.31 0.00 0.00 57.90 61.20 3mds n TYR 2 Cb 0.00 -2.53 -0.04 0.00 0.49 0.00 0.00 39.34 37.26 3mds n TYR 2 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3mds s PRO 3 N -1.35 4.66 0.50 2.98 0.02 -1.26 -4.88 135.00 135.66 3mds s PRO 3 Ca 0.59 1.54 -0.19 0.00 0.02 0.00 0.00 61.00 62.96 3mds s PRO 3 Cb -0.52 -3.35 -0.08 0.00 0.02 0.00 0.00 34.50 30.58 3mds s PRO 3 CO 0.57 0.16 1.00 -0.06 -0.33 0.00 0.00 177.00 178.34 3mds s PHE 4 N -0.04 3.21 0.07 6.54 0.08 -1.24 -5.06 117.98 121.53 3mds s PHE 4 Ca 0.48 1.55 0.08 0.00 0.12 0.00 0.00 56.93 59.16 3mds s PHE 4 Cb -0.25 -2.92 -0.03 0.00 -0.57 0.00 0.00 43.02 39.24 3mds s PHE 4 CO 0.31 -0.55 -0.22 0.15 -0.10 0.00 0.00 175.22 174.81 3mds s LYS 5 N -3.59 1.35 -0.06 0.44 -0.14 -1.26 -4.94 119.74 111.54 3mds s LYS 5 Ca 0.63 -1.09 -0.30 0.00 -1.36 0.00 0.00 55.97 53.85 3mds s LYS 5 Cb -0.12 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.41 3mds s LYS 5 CO 0.24 0.39 1.52 -1.17 -0.76 0.00 0.00 175.35 175.57 3mds s LEU 6 N -1.55 4.29 0.62 3.17 2.96 -1.26 -4.99 118.68 121.93 3mds s LEU 6 Ca 0.08 2.11 -0.16 0.00 -0.22 0.00 0.00 54.13 55.95 3mds s LEU 6 Cb -0.09 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 3mds s LEU 6 CO 0.03 -0.85 1.11 -2.16 -1.32 0.00 0.00 176.35 173.16 3mds s PRO 7 N 3.50 3.01 0.45 0.98 0.04 -1.26 -4.97 135.00 136.74 3mds s PRO 7 Ca 0.68 1.41 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 3mds s PRO 7 Cb -0.31 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 3mds s PRO 7 CO 0.26 -1.09 1.44 -0.51 0.04 0.00 0.00 177.00 177.14 3mds s ASP 8 N -2.42 5.88 0.07 6.66 1.01 -1.26 -4.90 116.67 121.71 3mds s ASP 8 Ca 0.68 2.95 -0.24 0.00 0.71 0.00 0.00 52.55 56.65 3mds s ASP 8 Cb -0.21 -2.66 -0.16 0.00 1.01 0.00 0.00 42.92 40.91 3mds s ASP 8 CO 0.37 -1.17 1.64 0.25 0.21 0.00 0.00 175.17 176.47 3mds h LEU 9 N 2.35 -0.02 0.00 1.23 5.85 -1.98 -3.48 115.31 119.26 3mds h LEU 9 Ca -0.51 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3mds h LEU 9 Cb 1.26 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3mds h LEU 9 CO 0.61 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 179.40 3mds n GLY 10 N -0.84 0.76 3.55 3.75 0.00 -1.26 -4.78 105.19 106.37 3mds n GLY 10 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.04 -0.18 0.51 1.61 -0.85 -1.26 -5.05 117.35 110.08 3mds s TYR 11 Ca 0.00 -0.16 -0.23 0.00 -0.52 0.00 0.00 57.07 56.16 3mds s TYR 11 Cb 0.00 0.45 -0.06 0.00 0.38 0.00 0.00 41.96 42.73 3mds s TYR 11 CO 0.00 -0.95 1.36 -2.14 -1.52 0.00 0.00 175.55 172.30 3mds s PRO 12 N -3.86 3.37 0.54 -3.49 0.02 -1.26 -4.90 135.00 125.42 3mds s PRO 12 Ca 0.08 2.25 0.27 0.00 0.02 0.00 0.00 61.00 63.62 3mds s PRO 12 Cb -0.02 -2.40 1.43 0.00 0.02 0.00 0.00 34.50 33.53 3mds s PRO 12 CO -0.03 -1.01 1.97 1.88 -0.33 0.00 0.00 177.00 179.48 3mds h TYR 13 N 1.79 0.00 -0.29 6.54 0.05 -1.97 -0.05 116.97 123.04 3mds h TYR 13 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.27 3mds h TYR 13 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3mds h TYR 13 CO 0.48 0.00 0.00 -0.85 -1.05 0.00 0.00 178.16 176.74 3mds n GLU 14 N -4.28 1.81 0.27 4.88 0.28 -1.26 -4.25 120.64 118.09 3mds n GLU 14 Ca 0.11 -1.25 0.14 0.00 -0.16 0.00 0.00 57.16 56.00 3mds n GLU 14 Cb 0.66 -1.33 0.76 0.00 1.43 0.00 0.00 31.44 32.96 3mds n GLU 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mds h ALA 15 N 3.83 1.26 -0.66 -1.84 0.00 -1.35 -2.65 119.26 117.84 3mds h ALA 15 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3mds h ALA 15 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mds h ALA 15 CO 0.00 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.65 3mds n LEU 16 N -3.58 3.83 -4.76 0.00 4.77 -1.26 -4.97 117.00 111.03 3mds n LEU 16 Ca -0.02 -1.92 -0.38 0.00 -0.03 0.00 0.00 56.01 53.66 3mds n LEU 16 Cb 0.23 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 3mds n LEU 16 CO 0.29 0.94 0.92 -1.61 -1.33 0.00 0.00 177.39 176.60 3mds s GLU 17 N -1.07 3.41 0.00 3.23 0.41 -1.00 -1.95 118.70 121.73 3mds s GLU 17 Ca 0.46 2.04 0.21 0.00 -0.41 0.00 0.00 54.97 57.28 3mds s GLU 17 Cb 0.24 -2.33 0.66 0.00 -1.78 0.00 0.00 34.13 30.92 3mds s GLU 17 CO 0.32 -0.91 1.50 -0.35 -0.49 0.00 0.00 175.26 175.33 3mds n PRO 18 N -0.78 1.91 -0.03 0.39 -0.04 -1.26 -4.90 135.00 130.28 3mds n PRO 18 Ca 0.09 -1.37 -0.12 0.00 -0.04 0.00 0.00 63.50 62.07 3mds n PRO 18 Cb 0.46 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 2.73 0.21 -3.57 0.54 3.86 -1.75 -3.42 115.15 113.74 3mds h HIS 19 Ca 0.00 -0.03 -0.48 0.00 -1.16 0.00 0.00 60.37 58.71 3mds h HIS 19 Cb 0.60 -0.06 -0.33 0.00 1.06 0.00 0.00 27.41 28.68 3mds h HIS 19 CO 0.14 0.37 -0.80 0.42 0.86 0.00 0.00 177.93 178.92 3mds s ILE 20 N -5.24 0.96 0.62 2.45 1.01 -0.99 -4.87 121.20 115.13 3mds s ILE 20 Ca -0.14 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 3mds s ILE 20 Cb 0.06 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3mds s ILE 20 CO 0.70 0.31 1.07 1.51 0.00 0.00 0.00 174.94 178.52 3mds s ASP 21 N 0.53 5.60 0.21 3.58 -4.77 -1.26 -3.35 116.67 117.21 3mds s ASP 21 Ca -0.10 1.81 -0.06 0.00 -3.30 0.00 0.00 52.55 50.90 3mds s ASP 21 Cb -0.13 -2.53 0.16 0.00 -1.09 0.00 0.00 42.92 39.33 3mds s ASP 21 CO 0.02 -1.29 1.65 0.00 0.70 0.00 0.00 175.17 176.25 3mds h ALA 22 N 0.18 0.89 -0.80 2.11 0.00 -1.93 -2.62 119.26 117.10 3mds h ALA 22 Ca -0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 3mds h ALA 22 Cb 1.22 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3mds h ALA 22 CO 0.57 0.64 0.40 -0.22 0.00 0.00 0.00 179.25 180.64 3mds h LYS 23 N 0.79 1.13 -0.40 0.00 3.64 -1.93 -1.84 116.57 117.97 3mds h LYS 23 Ca 0.13 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3mds h LYS 23 Cb 0.64 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3mds h LYS 23 CO 0.04 0.86 0.09 1.15 -2.27 0.00 0.00 179.45 179.33 3mds h THR 24 N 1.12 1.23 -0.80 1.00 2.02 -1.92 -1.63 112.91 113.93 3mds h THR 24 Ca 0.28 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.70 3mds h THR 24 Cb 0.09 0.99 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 3mds h THR 24 CO -0.04 0.28 0.50 0.24 0.37 0.00 0.00 175.52 176.87 3mds h MET 25 N 0.51 0.92 0.15 6.66 2.86 -1.15 0.38 114.93 125.25 3mds h MET 25 Ca 0.13 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3mds h MET 25 Cb 0.32 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3mds h MET 25 CO 0.00 0.61 -0.07 1.49 1.06 0.00 0.00 176.91 180.00 3mds h GLU 26 N 0.95 -0.19 -0.56 1.72 4.81 -1.12 -1.93 114.58 118.25 3mds h GLU 26 Ca 0.33 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 3mds h GLU 26 Cb 0.07 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3mds h GLU 26 CO -0.14 0.14 0.13 0.82 -0.73 0.00 0.00 179.01 179.23 3mds h ILE 27 N -0.53 1.25 -0.60 2.32 2.04 -1.09 0.00 117.51 120.89 3mds h ILE 27 Ca -0.02 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 64.97 3mds h ILE 27 Cb 0.41 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3mds h ILE 27 CO 0.03 0.33 0.36 -0.74 0.00 0.00 0.00 178.15 178.14 3mds h HIS 28 N 0.80 0.68 0.17 1.37 2.76 -0.24 -0.46 115.15 120.23 3mds h HIS 28 Ca 0.17 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3mds h HIS 28 Cb 0.36 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.10 3mds h HIS 28 CO 0.03 0.38 -0.08 1.25 -1.30 0.00 0.00 177.93 178.20 3mds h HIS 29 N 0.71 -0.21 -0.22 5.26 -0.00 -1.31 -0.76 115.15 118.62 3mds h HIS 29 Ca 0.25 -0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.53 3mds h HIS 29 Cb 0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3mds h HIS 29 CO -0.06 0.02 -0.19 1.96 -0.00 0.00 0.00 177.93 179.66 3mds h GLN 30 N -1.02 0.53 0.00 5.26 1.08 -1.04 -2.69 115.11 117.22 3mds h GLN 30 Ca -0.02 -0.27 -0.20 0.00 -1.45 0.00 0.00 58.65 56.71 3mds h GLN 30 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3mds h GLN 30 CO 0.04 0.84 -1.23 1.63 -0.95 0.00 0.00 178.83 179.17 3mds n LYS 31 N -4.43 0.54 0.18 1.46 4.76 -0.23 -3.20 118.16 117.25 3mds n LYS 31 Ca -0.05 0.53 -0.08 0.00 -2.87 0.00 0.00 58.31 55.84 3mds n LYS 31 Cb 0.40 -1.70 -0.04 0.00 -1.84 0.00 0.00 35.03 31.85 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 -0.49 -0.78 2.13 3.86 -1.38 -2.10 115.15 115.40 3mds h HIS 32 Ca -0.30 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 3mds h HIS 32 Cb 1.16 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 3mds h HIS 32 CO -0.00 -0.30 0.46 1.25 0.86 0.00 0.00 177.93 180.19 3mds h HIS 33 N -1.00 1.05 -1.01 2.45 -0.00 -1.17 -2.22 115.15 113.25 3mds h HIS 33 Ca -0.05 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.42 3mds h HIS 33 Cb 0.40 -0.34 -0.08 0.00 -0.00 0.00 0.00 27.41 27.39 3mds h HIS 33 CO 0.01 0.71 0.64 0.78 -0.00 0.00 0.00 177.93 180.07 3mds h GLY 34 N 1.08 1.63 1.09 5.26 0.00 -1.44 -2.28 103.07 108.40 3mds h GLY 34 Ca 0.28 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 3mds h GLY 34 CO -0.05 0.20 -0.29 0.00 0.00 0.00 0.00 176.54 176.40 3mds h ALA 35 N 1.52 0.58 -0.79 3.60 0.00 -1.04 -2.46 119.26 120.67 3mds h ALA 35 Ca 0.49 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3mds h ALA 35 Cb 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3mds h ALA 35 CO -0.25 0.62 0.46 1.88 0.00 0.00 0.00 179.25 181.96 3mds h TYR 36 N 0.73 1.07 -0.21 0.00 0.05 -0.92 -1.61 116.97 116.07 3mds h TYR 36 Ca 0.08 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3mds h TYR 36 Cb 0.87 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3mds h TYR 36 CO 0.06 0.73 0.11 0.28 -1.05 0.00 0.00 178.16 178.29 3mds h VAL 37 N 1.09 1.13 -0.14 -2.88 2.07 -1.37 -0.55 116.25 115.60 3mds h VAL 37 Ca 0.28 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3mds h VAL 37 Cb -0.00 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3mds h VAL 37 CO -0.05 0.13 -0.06 0.74 0.02 0.00 0.00 177.57 178.35 3mds h THR 38 N 0.22 0.81 -0.62 2.57 2.02 -1.27 -1.86 112.91 114.78 3mds h THR 38 Ca 0.07 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 3mds h THR 38 Cb 0.11 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3mds h THR 38 CO -0.01 0.00 0.09 0.78 0.37 0.00 0.00 175.52 176.75 3mds h ASN 39 N -0.03 0.97 -0.39 4.18 2.35 -1.27 -0.69 115.58 120.70 3mds h ASN 39 Ca 0.07 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 3mds h ASN 39 Cb 0.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3mds h ASN 39 CO -0.16 0.97 0.20 0.25 -1.65 0.00 0.00 177.43 177.04 3mds h LEU 40 N 0.95 0.49 -0.64 1.61 5.85 -0.91 -1.90 115.31 120.77 3mds h LEU 40 Ca 0.19 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3mds h LEU 40 Cb 0.42 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3mds h LEU 40 CO 0.01 0.46 0.07 0.78 -0.34 0.00 0.00 178.44 179.42 3mds h ASN 41 N 0.49 1.04 -0.95 1.25 2.35 -1.22 -1.88 115.58 116.66 3mds h ASN 41 Ca 0.13 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3mds h ASN 41 Cb 0.08 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 3mds h ASN 41 CO -0.02 1.06 0.58 0.00 -1.65 0.00 0.00 177.43 177.40 3mds h ALA 42 N 1.02 1.21 -0.14 -0.83 0.00 -0.99 -0.63 119.26 118.91 3mds h ALA 42 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3mds h ALA 42 Cb 0.48 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3mds h ALA 42 CO 0.02 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.93 3mds h ALA 43 N 1.32 0.19 0.00 0.00 0.00 -0.71 -3.28 119.26 116.78 3mds h ALA 43 Ca 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3mds h ALA 43 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3mds h ALA 43 CO -0.07 -0.12 -0.29 -0.07 0.00 0.00 0.00 179.25 178.71 3mds h LEU 44 N -0.01 0.00 -1.01 0.00 3.38 -1.23 -3.33 115.31 113.10 3mds h LEU 44 Ca 0.04 0.00 0.26 0.00 0.09 0.00 0.00 57.88 58.27 3mds h LEU 44 Cb 0.36 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.98 3mds h LEU 44 CO 0.01 0.29 0.59 -0.08 0.09 0.00 0.00 178.44 179.34 3mds h GLU 45 N 0.00 0.50 -0.00 1.13 4.81 -1.17 -2.25 114.58 117.60 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 0.93 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3mds h GLU 45 CO 0.04 0.33 0.00 0.36 -0.73 0.00 0.00 179.01 179.01 3mds n LYS 46 N -4.92 1.02 -3.61 1.92 0.00 -1.25 -4.43 118.16 106.89 3mds n LYS 46 Ca 0.28 -0.03 -0.27 0.00 -0.00 0.00 0.00 58.31 58.29 3mds n LYS 46 Cb 0.81 -1.46 -0.11 0.00 -0.00 0.00 0.00 35.03 34.27 3mds n LYS 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3mds s TYR 47 N -2.00 2.16 0.52 5.58 2.02 -0.85 -4.99 117.35 119.80 3mds s TYR 47 Ca 0.44 -2.76 0.25 0.00 -0.37 0.00 0.00 57.07 54.63 3mds s TYR 47 Cb 0.20 -1.70 1.37 0.00 -0.40 0.00 0.00 41.96 41.43 3mds s TYR 47 CO 0.34 -0.71 1.98 -1.35 -1.57 0.00 0.00 175.55 174.25 3mds h PRO 48 N 5.55 0.04 0.00 -1.71 0.11 -1.77 -1.54 132.00 132.69 3mds h PRO 48 Ca 0.21 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3mds h PRO 48 Cb 0.84 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3mds h PRO 48 CO 0.52 0.03 0.00 0.10 -0.21 0.00 0.00 178.00 178.44 3mds h TYR 49 N 0.04 0.00 -0.22 0.65 -0.00 -1.94 -1.05 116.97 114.45 3mds h TYR 49 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.00 3mds h TYR 49 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.76 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 -2.54 2.95 0.16 0.10 4.77 -0.58 -4.60 117.00 117.26 3mds n LEU 50 Ca -0.00 -1.16 0.13 0.00 -0.03 0.00 0.00 56.01 54.94 3mds n LEU 50 Cb 0.16 -0.13 0.56 0.00 -2.33 0.00 0.00 43.42 41.68 3mds n LEU 50 CO 0.18 0.58 0.87 0.45 -1.33 0.00 0.00 177.39 178.15 3mds h HIS 51 N 4.11 0.00 -0.24 -1.77 3.86 -1.28 -3.14 115.15 116.69 3mds h HIS 51 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mds h HIS 51 Cb 0.89 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.36 3mds h HIS 51 CO 0.13 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.33 3mds n GLY 52 N -0.39 3.81 3.77 2.45 0.00 -1.26 -2.98 105.19 110.59 3mds n GLY 52 Ca 0.01 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.38 5.28 0.59 1.61 1.01 -1.19 -4.88 120.40 120.44 3mds s VAL 53 Ca 0.36 0.56 -0.17 0.00 0.00 0.00 0.00 61.98 62.73 3mds s VAL 53 Cb 0.28 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3mds s VAL 53 CO 0.09 0.46 1.12 -1.61 0.00 0.00 0.00 175.10 175.17 3mds s GLU 54 N -0.08 3.11 0.41 2.72 0.41 -1.26 -4.42 118.70 119.60 3mds s GLU 54 Ca 0.18 1.51 0.08 0.00 -0.41 0.00 0.00 54.97 56.33 3mds s GLU 54 Cb -0.14 -1.98 0.88 0.00 -1.78 0.00 0.00 34.13 31.11 3mds s GLU 54 CO 0.06 -1.02 2.04 -0.24 -0.49 0.00 0.00 175.26 175.60 3mds h VAL 55 N 0.67 1.11 -0.84 2.63 3.04 -1.97 -1.91 116.25 118.98 3mds h VAL 55 Ca -0.49 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3mds h VAL 55 Cb 1.25 0.68 -0.04 0.00 -2.01 0.00 0.00 31.29 31.17 3mds h VAL 55 CO 0.56 0.12 0.54 -0.33 -1.01 0.00 0.00 177.57 177.45 3mds h GLU 56 N 0.45 1.11 -0.47 4.17 3.07 -1.96 -1.86 114.58 119.11 3mds h GLU 56 Ca 0.12 -0.08 -0.12 0.00 -0.50 0.00 0.00 59.36 58.78 3mds h GLU 56 Cb 0.03 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 3mds h GLU 56 CO -0.02 0.75 -0.17 0.28 -1.40 0.00 0.00 179.01 178.46 3mds h VAL 57 N 1.14 1.27 -0.91 3.13 2.07 -1.73 -1.99 116.25 119.23 3mds h VAL 57 Ca 0.30 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.53 3mds h VAL 57 Cb -0.10 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3mds h VAL 57 CO -0.06 0.45 0.60 -0.07 0.02 0.00 0.00 177.57 178.51 3mds h LEU 58 N 0.78 1.01 -0.73 2.57 3.38 -1.19 -2.33 115.31 118.80 3mds h LEU 58 Ca 0.11 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 3mds h LEU 58 Cb 0.73 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3mds h LEU 58 CO 0.06 0.71 -0.45 -0.07 0.09 0.00 0.00 178.44 178.78 3mds h LEU 59 N 1.19 0.44 -0.36 1.67 3.38 -1.23 -2.42 115.31 117.98 3mds h LEU 59 Ca 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3mds h LEU 59 Cb -0.06 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3mds h LEU 59 CO -0.10 0.84 0.00 0.54 0.09 0.00 0.00 178.44 179.81 3mds n ARG 60 N -4.00 0.18 -2.23 1.13 1.74 -0.76 -3.59 116.66 109.13 3mds n ARG 60 Ca -0.02 0.31 -0.11 0.00 -0.77 0.00 0.00 57.85 57.26 3mds n ARG 60 Cb 0.53 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3mds n ARG 60 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3mds n HIS 61 N -2.10 1.84 -0.27 -1.55 8.25 -0.91 -4.86 115.22 115.61 3mds n HIS 61 Ca 0.04 -2.05 0.06 0.00 -0.26 0.00 0.00 57.72 55.50 3mds n HIS 61 Cb 0.29 -0.28 0.20 0.00 1.12 0.00 0.00 29.99 31.32 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 2.22 0.42 -2.81 2.41 3.38 -1.50 -1.87 115.31 117.56 3mds h LEU 62 Ca 0.11 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mds h LEU 62 Cb 1.42 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 3mds h LEU 62 CO 0.45 0.18 -0.00 0.00 0.09 0.00 0.00 178.44 179.16 3mds h ALA 63 N 1.54 1.18 0.00 1.53 0.00 -1.89 -2.05 119.26 119.57 3mds h ALA 63 Ca 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3mds h ALA 63 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mds h ALA 63 CO -0.36 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.29 3mds h ALA 64 N 2.00 0.64 -2.32 0.00 0.00 -1.73 -3.48 119.26 114.37 3mds h ALA 64 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3mds h ALA 64 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.84 3mds h ALA 64 CO 0.00 0.00 0.38 -0.51 0.00 0.00 0.00 179.25 179.12 3mds s LEU 65 N -4.65 3.63 0.28 0.00 1.43 -0.77 -4.94 118.68 113.65 3mds s LEU 65 Ca 0.05 1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 3mds s LEU 65 Cb 0.12 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.66 3mds s LEU 65 CO 0.72 -0.97 1.20 -2.65 0.23 0.00 0.00 176.35 174.88 3mds n PRO 66 N -1.62 1.73 -0.17 1.29 -0.02 -1.26 -4.74 135.00 130.20 3mds n PRO 66 Ca 0.09 0.61 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 3mds n PRO 66 Cb 0.53 -2.12 0.47 0.00 -0.02 0.00 0.00 33.50 32.36 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 2.79 0.47 0.00 -0.52 -0.00 -1.94 -1.82 115.11 114.09 3mds h GLN 67 Ca -0.43 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 3mds h GLN 67 Cb 1.31 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.68 3mds h GLN 67 CO 0.65 0.31 0.00 -0.40 -0.00 0.00 0.00 178.83 179.40 3mds n ASP 68 N -4.49 0.00 0.00 0.06 5.75 -1.26 -3.07 116.55 113.54 3mds n ASP 68 Ca 0.14 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.16 3mds n ASP 68 Cb 0.47 -0.39 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.39 0.34 -0.07 2.12 -5.35 -0.71 -4.83 119.36 109.47 3mds n ILE 69 Ca 0.07 -0.57 -0.10 0.00 -0.27 0.00 0.00 62.75 61.88 3mds n ILE 69 Cb 0.20 0.94 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.00 0.34 -0.55 6.28 4.20 -1.42 -1.09 115.11 122.88 3mds h GLN 70 Ca 0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 3mds h GLN 70 Cb 0.31 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3mds h GLN 70 CO 0.00 0.31 0.17 1.15 -0.67 0.00 0.00 178.83 179.79 3mds h THR 71 N 0.28 1.24 -0.99 -0.54 2.02 -1.88 -1.26 112.91 111.77 3mds h THR 71 Ca 0.09 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.48 3mds h THR 71 Cb 0.07 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 3mds h THR 71 CO -0.01 0.30 0.65 0.00 0.37 0.00 0.00 175.52 176.82 3mds h ALA 72 N 1.04 1.25 -0.13 6.16 0.00 -1.84 -0.38 119.26 125.36 3mds h ALA 72 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3mds h ALA 72 Cb 0.28 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3mds h ALA 72 CO -0.01 0.65 -0.34 0.28 0.00 0.00 0.00 179.25 179.83 3mds h VAL 73 N 1.34 1.37 -0.21 0.00 2.07 -1.10 -0.86 116.25 118.87 3mds h VAL 73 Ca 0.36 -1.64 0.05 0.00 0.82 0.00 0.00 66.70 66.30 3mds h VAL 73 Cb -0.15 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3mds h VAL 73 CO -0.08 0.49 -0.13 -0.09 0.02 0.00 0.00 177.57 177.78 3mds h ARG 74 N 0.05 -0.11 -0.04 1.57 2.43 -0.94 0.55 114.38 117.88 3mds h ARG 74 Ca -0.01 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3mds h ARG 74 Cb 0.95 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3mds h ARG 74 CO 0.07 -0.07 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.44 3mds h ASN 75 N -0.11 0.18 0.43 -3.80 2.35 -1.11 -1.94 115.58 111.58 3mds h ASN 75 Ca 0.12 -0.60 -0.31 0.00 -0.55 0.00 0.00 56.30 54.96 3mds h ASN 75 Cb 0.29 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3mds h ASN 75 CO -0.28 0.74 -1.59 0.78 -1.65 0.00 0.00 177.43 175.43 3mds h ASN 76 N -0.38 0.33 -0.35 5.81 2.35 -1.17 0.40 115.58 122.58 3mds h ASN 76 Ca -0.00 -0.51 -0.17 0.00 -0.55 0.00 0.00 56.30 55.07 3mds h ASN 76 Cb 0.72 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3mds h ASN 76 CO 0.02 1.43 -0.43 1.23 -1.65 0.00 0.00 177.43 178.04 3mds h GLY 77 N 1.87 0.99 1.02 2.83 0.00 -0.00 0.05 103.07 109.83 3mds h GLY 77 Ca -0.26 -1.06 -0.08 0.00 0.00 0.00 0.00 47.33 45.93 3mds h GLY 77 CO 0.14 0.95 0.02 -1.33 0.00 0.00 0.00 176.54 176.32 3mds h GLY 78 N 0.72 0.97 1.05 4.60 0.00 -1.28 -1.74 103.07 107.39 3mds h GLY 78 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3mds h GLY 78 CO 0.10 0.65 0.60 -1.33 0.00 0.00 0.00 176.54 176.56 3mds h GLY 79 N 0.77 1.35 0.74 4.60 0.00 -0.61 -0.95 103.07 108.97 3mds h GLY 79 Ca 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3mds h GLY 79 CO 0.02 0.52 -0.01 0.84 0.00 0.00 0.00 176.54 177.91 3mds h HIS 80 N 1.29 0.22 -0.41 5.60 6.17 -0.82 -2.26 115.15 124.93 3mds h HIS 80 Ca 0.34 -0.04 -0.07 0.00 0.71 0.00 0.00 60.37 61.32 3mds h HIS 80 Cb -0.10 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 3mds h HIS 80 CO 0.00 0.47 0.00 1.25 0.71 0.00 0.00 177.93 180.37 3mds h LEU 81 N -0.10 0.71 -0.11 0.26 5.85 -1.18 -1.32 115.31 119.43 3mds h LEU 81 Ca 0.03 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.44 3mds h LEU 81 Cb 0.39 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3mds h LEU 81 CO 0.01 0.84 0.06 0.78 -0.34 0.00 0.00 178.44 179.79 3mds h ASN 82 N 0.56 0.13 0.14 1.25 2.35 -1.19 -2.24 115.58 116.59 3mds h ASN 82 Ca 0.12 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.62 3mds h ASN 82 Cb 0.48 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3mds h ASN 82 CO 0.02 0.17 -0.63 0.45 -1.65 0.00 0.00 177.43 175.79 3mds h HIS 83 N 0.09 0.61 -0.53 1.19 3.86 -1.40 -1.83 115.15 117.13 3mds h HIS 83 Ca 0.04 -0.24 0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3mds h HIS 83 Cb 0.06 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.37 3mds h HIS 83 CO -0.05 0.97 0.19 0.77 0.86 0.00 0.00 177.93 180.68 3mds h SER 84 N 0.34 0.20 -0.51 2.45 0.02 -1.07 -1.34 113.55 113.65 3mds h SER 84 Ca -0.01 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3mds h SER 84 Cb 1.18 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 3mds h SER 84 CO 0.11 0.14 0.18 -0.07 -1.14 0.00 0.00 176.83 176.05 3mds h LEU 85 N 0.38 0.72 -0.42 5.07 3.38 -1.27 -3.16 115.31 120.01 3mds h LEU 85 Ca 0.26 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3mds h LEU 85 Cb 0.28 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3mds h LEU 85 CO -0.26 0.72 0.26 0.15 0.09 0.00 0.00 178.44 179.40 3mds h PHE 86 N 0.69 0.48 -0.79 1.13 3.57 -0.59 -1.57 116.94 119.86 3mds h PHE 86 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3mds h PHE 86 Cb 0.24 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3mds h PHE 86 CO 0.01 0.29 0.45 -1.49 -2.23 0.00 0.00 178.31 175.34 3mds h TRP 87 N 0.52 1.07 -0.65 0.41 -0.00 -1.25 -1.90 115.95 114.16 3mds h TRP 87 Ca 0.17 -0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.95 3mds h TRP 87 Cb -0.01 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 28.78 3mds h TRP 87 CO -0.07 0.74 0.07 0.00 -0.00 0.00 0.00 178.44 179.19 3mds h ARG 88 N 1.09 1.09 0.00 0.49 2.47 -1.47 -2.77 114.38 115.29 3mds h ARG 88 Ca 0.28 -0.31 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3mds h ARG 88 Cb 0.00 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3mds h ARG 88 CO -0.05 1.02 -0.05 -0.07 0.56 0.00 0.00 179.97 181.39 3mds h LEU 89 N 1.01 0.00 -1.84 3.04 3.38 -0.69 -2.41 115.31 117.80 3mds h LEU 89 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3mds h LEU 89 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3mds h LEU 89 CO 0.02 0.05 0.00 0.18 0.09 0.00 0.00 178.44 178.78 3mds n LEU 90 N -3.21 2.71 -4.69 1.67 4.77 -0.77 -0.41 117.00 117.08 3mds n LEU 90 Ca -0.00 -1.27 -0.44 0.00 -0.03 0.00 0.00 56.01 54.27 3mds n LEU 90 Cb 0.28 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3mds n LEU 90 CO 0.27 0.63 1.39 0.41 -1.33 0.00 0.00 177.39 178.77 3mds n THR 91 N 0.99 0.24 -1.57 -5.08 -1.04 -0.91 -4.90 114.28 102.01 3mds n THR 91 Ca 0.18 -0.04 -0.33 0.00 -2.04 0.00 0.00 64.05 61.82 3mds n THR 91 Cb 0.46 -1.94 0.07 0.00 -1.82 0.00 0.00 70.33 67.10 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 2.17 2.49 0.00 -2.82 0.02 -1.26 -4.20 135.00 131.39 3mds s PRO 92 Ca 0.81 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3mds s PRO 92 Cb -0.55 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.06 3mds s PRO 92 CO 0.38 -1.51 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3mds n GLY 93 N -0.36 0.86 3.92 0.52 0.00 -1.26 -5.09 105.19 103.79 3mds n GLY 93 Ca 0.11 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.02 2.19 0.40 -0.02 0.00 -1.26 -5.07 107.32 101.53 3mds s GLY 94 Ca 0.00 -1.60 -0.27 0.00 0.00 0.00 0.00 44.72 42.85 3mds s GLY 94 CO 0.00 -1.83 1.47 0.00 0.00 0.00 0.00 173.10 172.74 3mds s ALA 95 N -2.68 3.47 -1.80 3.20 0.00 -1.26 -4.80 121.76 117.89 3mds s ALA 95 Ca 0.43 1.54 0.25 0.00 0.00 0.00 0.00 51.96 54.18 3mds s ALA 95 Cb -0.03 -3.60 0.53 0.00 0.00 0.00 0.00 23.12 20.02 3mds s ALA 95 CO 0.26 -1.10 1.42 1.63 0.00 0.00 0.00 175.76 177.98 3mds n LYS 96 N 0.25 0.91 -4.13 0.00 4.76 -1.26 -1.52 118.16 117.17 3mds n LYS 96 Ca 0.02 -0.61 -0.11 0.00 -2.87 0.00 0.00 58.31 54.75 3mds n LYS 96 Cb 0.40 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 32.00 3mds n LYS 96 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3mds s GLU 97 N -2.51 0.71 0.38 1.97 2.02 -1.26 -4.94 118.70 115.07 3mds s GLU 97 Ca 0.22 -1.16 -0.27 0.00 0.02 0.00 0.00 54.97 53.79 3mds s GLU 97 Cb 0.19 -0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.14 3mds s GLU 97 CO 0.54 -0.01 1.27 -2.30 0.02 0.00 0.00 175.26 174.77 3mds n PRO 98 N 0.39 2.00 -4.36 0.39 -0.02 -1.26 -4.73 135.00 127.41 3mds n PRO 98 Ca -0.15 0.71 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 3mds n PRO 98 Cb 0.59 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.15 0.96 0.00 -1.45 -7.23 -1.26 -4.74 120.40 105.53 3mds s VAL 99 Ca 0.58 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3mds s VAL 99 Cb -0.54 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 33.86 3mds s VAL 99 CO 0.60 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.85 3mds n GLY 100 N -0.50 2.96 0.30 2.32 0.00 -1.26 -2.23 105.19 106.77 3mds n GLY 100 Ca -0.03 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 1.01 -0.74 1.61 4.39 -1.99 -2.58 114.58 116.28 3mds h GLU 101 Ca 0.00 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 3mds h GLU 101 Cb 0.00 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 3mds h GLU 101 CO 0.00 1.01 0.22 1.25 -1.16 0.00 0.00 179.01 180.33 3mds h LEU 102 N 0.92 1.09 -0.48 1.33 5.85 -1.90 -1.75 115.31 120.37 3mds h LEU 102 Ca 0.16 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3mds h LEU 102 Cb 0.57 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3mds h LEU 102 CO 0.03 1.02 0.31 0.50 -0.34 0.00 0.00 178.44 179.95 3mds h LYS 103 N 1.11 0.60 -0.89 1.25 3.64 -1.22 -0.20 116.57 120.85 3mds h LYS 103 Ca 0.24 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3mds h LYS 103 Cb 0.33 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3mds h LYS 103 CO -0.01 0.40 0.49 0.87 -2.27 0.00 0.00 179.45 178.93 3mds h LYS 104 N 0.62 1.24 -0.55 1.90 1.57 -1.06 0.53 116.57 120.82 3mds h LYS 104 Ca 0.18 -0.14 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3mds h LYS 104 Cb -0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 3mds h LYS 104 CO -0.06 0.90 -0.11 0.00 -0.57 0.00 0.00 179.45 179.61 3mds h ALA 105 N 1.29 0.75 -0.33 3.86 0.00 -0.91 -1.08 119.26 122.84 3mds h ALA 105 Ca 0.31 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3mds h ALA 105 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3mds h ALA 105 CO -0.05 0.68 -0.12 0.82 0.00 0.00 0.00 179.25 180.58 3mds h ILE 106 N 0.93 1.28 -0.52 0.00 2.04 -0.55 0.23 117.51 120.92 3mds h ILE 106 Ca 0.14 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 3mds h ILE 106 Cb 0.69 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3mds h ILE 106 CO 0.05 0.39 0.30 0.44 0.00 0.00 0.00 178.15 179.33 3mds h ASP 107 N 0.45 0.64 -0.21 1.72 3.32 -0.82 0.14 116.42 121.66 3mds h ASP 107 Ca 0.08 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3mds h ASP 107 Cb 0.64 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3mds h ASP 107 CO 0.04 0.53 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.96 3mds h GLU 108 N 0.69 0.40 0.01 3.56 4.81 -1.02 -2.01 114.58 121.02 3mds h GLU 108 Ca 0.18 -0.15 -0.28 0.00 -0.13 0.00 0.00 59.36 58.98 3mds h GLU 108 Cb 0.02 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 3mds h GLU 108 CO -0.03 0.64 -1.59 1.96 -0.73 0.00 0.00 179.01 179.26 3mds h GLN 109 N 0.13 0.01 0.00 1.92 4.20 -0.45 -3.39 115.11 117.54 3mds h GLN 109 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3mds h GLN 109 Cb 0.49 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.28 3mds h GLN 109 CO 0.02 0.62 -0.79 1.19 -0.67 0.00 0.00 178.83 179.20 3mds n PHE 110 N -3.12 0.00 -0.23 2.96 3.72 0.47 -5.00 117.46 116.26 3mds n PHE 110 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3mds n PHE 110 Cb 1.03 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 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 1.54 0.67 0.00 1.37 0.00 -0.76 -4.68 105.19 103.33 3mds n GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.05 3.13 0.22 -0.02 0.00 -1.16 -4.86 105.19 100.46 3mds n GLY 112 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.13 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 0.54 -0.78 1.61 3.57 -1.93 -2.51 116.94 117.43 3mds h PHE 113 Ca 0.00 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.57 3mds h PHE 113 Cb 0.00 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 3mds h PHE 113 CO 0.00 0.27 0.48 0.37 -2.23 0.00 0.00 178.31 177.19 3mds h GLN 114 N 0.56 0.86 -0.60 1.11 5.75 -1.97 0.31 115.11 121.14 3mds h GLN 114 Ca 0.24 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 3mds h GLN 114 Cb 0.14 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3mds h GLN 114 CO -0.16 0.57 0.08 0.00 -2.65 0.00 0.00 178.83 176.67 3mds h ALA 115 N 1.37 0.80 -0.42 3.38 0.00 -1.79 -2.49 119.26 120.10 3mds h ALA 115 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3mds h ALA 115 Cb 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3mds h ALA 115 CO -0.16 0.56 0.15 1.25 0.00 0.00 0.00 179.25 181.06 3mds h LEU 116 N 0.90 0.60 -0.78 0.00 5.85 -0.89 -1.98 115.31 119.00 3mds h LEU 116 Ca 0.18 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3mds h LEU 116 Cb 0.44 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 3mds h LEU 116 CO 0.01 0.62 0.47 0.11 -0.34 0.00 0.00 178.44 179.32 3mds h LYS 117 N 0.54 0.85 -0.35 1.25 1.57 -0.91 0.15 116.57 119.66 3mds h LYS 117 Ca 0.14 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3mds h LYS 117 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3mds h LYS 117 CO -0.01 0.56 0.06 1.49 -0.57 0.00 0.00 179.45 180.98 3mds h GLU 118 N 0.87 0.59 -0.27 3.15 4.81 -1.21 0.62 114.58 123.14 3mds h GLU 118 Ca 0.34 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.37 3mds h GLU 118 Cb 0.16 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3mds h GLU 118 CO -0.17 0.66 -0.00 0.87 -0.73 0.00 0.00 179.01 179.64 3mds h LYS 119 N 0.42 0.47 -0.72 1.92 1.57 -0.71 -0.92 116.57 118.60 3mds h LYS 119 Ca 0.11 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3mds h LYS 119 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3mds h LYS 119 CO 0.01 0.64 0.21 -0.07 -0.57 0.00 0.00 179.45 179.67 3mds h LEU 120 N 0.25 1.06 -0.56 2.94 3.38 -0.73 -1.45 115.31 120.20 3mds h LEU 120 Ca 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3mds h LEU 120 Cb 0.43 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3mds h LEU 120 CO 0.01 0.99 0.29 0.74 0.09 0.00 0.00 178.44 180.57 3mds h THR 121 N 1.07 1.19 -0.72 0.22 2.02 -0.64 -1.67 112.91 114.37 3mds h THR 121 Ca 0.23 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3mds h THR 121 Cb 0.32 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 3mds h THR 121 CO -0.01 0.21 0.42 1.56 0.37 0.00 0.00 175.52 178.07 3mds h GLN 122 N 0.75 1.00 -0.47 6.66 4.20 -0.86 -1.02 115.11 125.37 3mds h GLN 122 Ca 0.19 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 3mds h GLN 122 Cb 0.07 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3mds h GLN 122 CO -0.03 0.72 -0.09 0.00 -0.67 0.00 0.00 178.83 178.77 3mds h ALA 123 N 1.21 0.97 -0.27 3.87 0.00 -1.08 -0.85 119.26 123.10 3mds h ALA 123 Ca 0.26 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 3mds h ALA 123 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mds h ALA 123 CO -0.04 0.61 -0.56 0.00 0.00 0.00 0.00 179.25 179.26 3mds h ALA 124 N 1.14 0.49 -0.12 0.00 0.00 -1.01 -2.79 119.26 116.97 3mds h ALA 124 Ca 0.13 -0.52 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 3mds h ALA 124 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3mds h ALA 124 CO 0.04 0.68 -0.63 0.52 0.00 0.00 0.00 179.25 179.86 3mds h MET 125 N 0.64 0.44 0.00 0.00 2.07 -1.14 -3.16 114.93 113.77 3mds h MET 125 Ca 0.01 -0.31 0.00 0.00 -2.07 0.00 0.00 59.70 57.33 3mds h MET 125 Cb 1.16 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.94 3mds h MET 125 CO 0.12 0.93 0.00 0.41 1.07 0.00 0.00 176.91 179.44 3mds n GLY 126 N 0.38 -1.33 3.55 8.32 0.00 -0.33 -4.66 105.19 111.12 3mds n GLY 126 Ca -0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -3.00 3.01 0.04 1.61 6.06 -1.06 -4.99 118.95 120.62 3mds s ARG 127 Ca 0.11 0.02 -0.30 0.00 -2.50 0.00 0.00 55.73 53.06 3mds s ARG 127 Cb 0.16 -4.25 -0.05 0.00 0.06 0.00 0.00 34.95 30.87 3mds s ARG 127 CO 0.44 -2.33 1.12 0.12 -2.50 0.00 0.00 175.30 172.14 3mds s PHE 128 N 6.78 3.52 0.00 5.12 5.36 -1.26 -4.78 117.98 132.72 3mds s PHE 128 Ca 0.45 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.87 3mds s PHE 128 Cb -0.09 -3.31 0.00 0.00 -0.34 0.00 0.00 43.02 39.28 3mds s PHE 128 CO 0.17 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.52 3mds n GLY 129 N 3.10 -0.15 3.84 13.12 0.00 -1.26 -4.89 105.19 118.95 3mds n GLY 129 Ca 0.08 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 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 6.86 0.00 1.61 0.01 -1.26 -4.79 113.70 112.14 3mds s SER 130 Ca 0.00 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 3mds s SER 130 Cb 0.00 -2.28 0.00 0.00 0.21 0.00 0.00 66.02 63.95 3mds s SER 130 CO 0.00 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.48 3mds n GLY 131 N 1.35 -1.21 2.95 3.44 0.00 -1.26 -0.97 105.19 109.50 3mds n GLY 131 Ca -0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 0.23 -0.06 1.61 0.52 -0.83 -0.70 118.94 116.70 3mds s TRP 132 Ca 0.00 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.76 3mds s TRP 132 Cb 0.00 -0.16 -0.03 0.00 -1.15 0.00 0.00 33.47 32.13 3mds s TRP 132 CO 0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 176.95 176.79 3mds s ALA 133 N -1.00 3.05 0.06 0.98 0.00 -0.57 -1.33 121.76 122.95 3mds s ALA 133 Ca -0.10 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3mds s ALA 133 Cb -0.07 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 3mds s ALA 133 CO -0.01 0.58 -0.09 -1.58 0.00 0.00 0.00 175.76 174.67 3mds s TRP 134 N -0.85 0.82 -0.18 0.00 0.52 0.76 -0.37 118.94 119.63 3mds s TRP 134 Ca 0.13 -0.56 -0.01 0.00 0.02 0.00 0.00 56.10 55.68 3mds s TRP 134 Cb -0.11 -0.48 0.00 0.00 -1.15 0.00 0.00 33.47 31.74 3mds s TRP 134 CO 0.02 -0.06 -0.13 -1.17 0.02 0.00 0.00 176.95 175.63 3mds s LEU 135 N -1.88 2.52 0.21 2.99 2.96 -0.15 -1.91 118.68 123.41 3mds s LEU 135 Ca -0.04 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 3mds s LEU 135 Cb -0.07 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 3mds s LEU 135 CO -0.00 0.04 -0.03 0.68 -1.32 0.00 0.00 176.35 175.72 3mds s VAL 136 N 1.09 1.07 0.01 1.68 -7.23 -0.09 -0.88 120.40 116.05 3mds s VAL 136 Ca 0.00 -2.04 0.08 0.00 -1.81 0.00 0.00 61.98 58.21 3mds s VAL 136 Cb -0.14 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 3mds s VAL 136 CO -0.04 -0.44 -0.24 -0.75 -0.31 0.00 0.00 175.10 173.32 3mds s LYS 137 N -3.83 2.01 0.52 4.82 2.20 -0.30 -1.15 119.74 124.01 3mds s LYS 137 Ca 0.25 -0.99 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 3mds s LYS 137 Cb 0.05 -2.07 0.05 0.00 -1.51 0.00 0.00 37.83 34.35 3mds s LYS 137 CO 0.06 0.54 0.62 0.16 -0.36 0.00 0.00 175.35 176.38 3mds s ASP 138 N -1.02 5.10 0.19 1.43 1.47 -0.19 -1.02 116.67 122.63 3mds s ASP 138 Ca 0.12 -0.84 0.19 0.00 1.18 0.00 0.00 52.55 53.19 3mds s ASP 138 Cb -0.10 0.04 0.83 0.00 -0.34 0.00 0.00 42.92 43.35 3mds s ASP 138 CO 0.01 -1.10 1.57 -2.65 0.68 0.00 0.00 175.17 173.68 3mds n PRO 139 N -1.99 0.12 -0.31 2.11 -0.02 -1.26 -2.63 135.00 131.01 3mds n PRO 139 Ca 0.09 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3mds n PRO 139 Cb 0.62 -1.77 0.29 0.00 -0.02 0.00 0.00 33.50 32.62 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 -2.00 0.83 -0.96 6.00 3.72 -1.26 -4.94 117.46 118.85 3mds n PHE 140 Ca 0.01 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3mds n PHE 140 Cb 0.15 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.54 0.49 3.92 1.37 0.00 -1.08 -5.05 105.19 106.38 3mds n GLY 141 Ca 0.22 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.55 3.41 0.03 1.61 -0.14 -1.26 -4.91 119.74 117.92 3mds s LYS 142 Ca 0.00 -0.53 0.01 0.00 -1.36 0.00 0.00 55.97 54.09 3mds s LYS 142 Cb 0.00 -2.99 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 3mds s LYS 142 CO 0.00 0.57 0.08 -0.51 -0.76 0.00 0.00 175.35 174.72 3mds s LEU 143 N -2.83 3.84 0.03 3.17 1.43 -1.26 -1.02 118.68 122.04 3mds s LEU 143 Ca 0.35 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 3mds s LEU 143 Cb -0.12 -2.34 -0.02 0.00 0.03 0.00 0.00 46.19 43.74 3mds s LEU 143 CO 0.28 0.24 -0.04 -1.00 0.23 0.00 0.00 176.35 176.05 3mds s HIS 144 N -1.26 0.39 -0.18 0.29 3.76 -0.30 -4.98 115.29 113.00 3mds s HIS 144 Ca 0.25 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.61 3mds s HIS 144 Cb -0.12 -0.26 -0.01 0.00 1.11 0.00 0.00 32.58 33.30 3mds s HIS 144 CO 0.17 -0.16 -0.07 0.08 -0.85 0.00 0.00 174.74 173.91 3mds s VAL 145 N -1.47 3.38 0.29 -0.90 1.01 -1.26 -0.91 120.40 120.54 3mds s VAL 145 Ca -0.14 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3mds s VAL 145 Cb -0.10 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3mds s VAL 145 CO -0.01 0.47 0.52 -1.48 0.00 0.00 0.00 175.10 174.60 3mds s LEU 146 N 0.92 0.44 0.17 3.92 0.05 -0.80 -4.99 118.68 118.39 3mds s LEU 146 Ca -0.01 -1.09 0.07 0.00 0.05 0.00 0.00 54.13 53.15 3mds s LEU 146 Cb -0.15 1.85 -0.04 0.00 -2.05 0.00 0.00 46.19 45.80 3mds s LEU 146 CO 0.01 -1.26 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.45 3mds s SER 147 N -3.08 2.43 0.10 1.48 1.04 -1.26 -0.17 113.70 114.24 3mds s SER 147 Ca 0.23 -0.92 0.06 0.00 0.48 0.00 0.00 55.95 55.80 3mds s SER 147 Cb -0.01 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 3mds s SER 147 CO 0.12 -0.13 -0.15 0.42 0.98 0.00 0.00 173.24 174.48 3mds s THR 148 N -2.51 1.28 0.44 2.02 -4.23 -0.44 -4.99 115.64 107.22 3mds s THR 148 Ca 0.17 -1.51 -0.17 0.00 -1.18 0.00 0.00 61.69 59.00 3mds s THR 148 Cb -0.03 -1.33 -0.09 0.00 1.34 0.00 0.00 72.50 72.39 3mds s THR 148 CO 0.06 -0.28 0.90 -2.16 -0.54 0.00 0.00 174.62 172.59 3mds s PRO 149 N -2.15 4.01 4.42 3.99 0.04 -1.26 -1.97 135.00 142.08 3mds s PRO 149 Ca 0.04 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3mds s PRO 149 Cb -0.08 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3mds s PRO 149 CO 0.03 -0.10 0.00 0.09 0.04 0.00 0.00 177.00 177.06 3mds n ASN 150 N -1.07 0.00 -1.37 6.66 5.03 -0.14 -1.20 115.26 123.16 3mds n ASN 150 Ca 0.06 0.00 0.05 0.00 0.87 0.00 0.00 54.58 55.56 3mds n ASN 150 Cb 0.54 0.00 0.31 0.00 -1.02 0.00 0.00 39.78 39.61 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 3.56 -1.92 3.52 1.13 -1.26 -4.09 117.38 132.32 3mds n GLN 151 Ca 0.00 -3.00 -0.41 0.00 -1.94 0.00 0.00 57.00 51.65 3mds n GLN 151 Cb 0.00 -2.03 -0.01 0.00 0.11 0.00 0.00 30.24 28.31 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 -1.51 6.51 -0.03 1.08 1.11 -0.34 -3.86 116.67 119.63 3mds s ASP 152 Ca 0.48 2.89 0.03 0.00 0.18 0.00 0.00 52.55 56.13 3mds s ASP 152 Cb 0.38 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 3mds s ASP 152 CO 0.11 -0.75 -0.09 0.21 1.18 0.00 0.00 175.17 175.82 3mds s ASN 153 N -0.13 4.44 0.32 0.27 3.84 -1.26 -4.78 114.94 117.64 3mds s ASN 153 Ca 0.53 -0.13 0.21 0.00 0.21 0.00 0.00 52.86 53.69 3mds s ASN 153 Cb -0.44 -1.03 1.14 0.00 -0.55 0.00 0.00 41.25 40.37 3mds s ASN 153 CO 0.56 0.33 1.63 -2.65 -2.79 0.00 0.00 177.10 174.18 3mds n PRO 154 N 1.99 0.14 0.28 0.43 -0.02 -1.26 -1.65 135.00 134.91 3mds n PRO 154 Ca -0.17 0.63 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 3mds n PRO 154 Cb 0.53 -1.97 0.84 0.00 -0.02 0.00 0.00 33.50 32.87 3mds n PRO 154 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3mds h VAL 155 N 0.00 0.54 -0.38 -1.45 -1.51 -1.93 -1.82 116.25 109.69 3mds h VAL 155 Ca 0.00 -0.24 0.07 0.00 -1.23 0.00 0.00 66.70 65.31 3mds h VAL 155 Cb 0.05 1.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.34 3mds h VAL 155 CO 0.00 0.05 0.26 0.24 -1.23 0.00 0.00 177.57 176.90 3mds h MET 156 N 0.00 0.19 -0.64 5.19 2.86 -1.53 -1.38 114.93 119.61 3mds h MET 156 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3mds h MET 156 Cb 0.15 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3mds h MET 156 CO 0.01 0.12 0.00 0.39 1.06 0.00 0.00 176.91 178.49 3mds n GLU 157 N -4.47 2.88 -0.34 1.72 1.02 -0.75 -4.81 120.64 115.90 3mds n GLU 157 Ca 0.05 -2.57 0.00 0.00 -0.02 0.00 0.00 57.16 54.62 3mds n GLU 157 Cb 0.32 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 1.33 0.75 3.94 0.62 0.00 -0.52 -5.07 105.19 106.25 3mds n GLY 158 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.33 3.50 -0.27 1.61 0.08 -0.81 -4.63 117.98 115.13 3mds s PHE 159 Ca 0.00 0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.32 3mds s PHE 159 Cb 0.00 -1.88 -0.00 0.00 -0.57 0.00 0.00 43.02 40.56 3mds s PHE 159 CO 0.00 0.14 0.07 0.99 -0.10 0.00 0.00 175.22 176.31 3mds s THR 160 N -2.30 4.02 0.29 0.64 2.01 -0.19 -3.45 115.64 116.67 3mds s THR 160 Ca 0.40 -0.50 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 3mds s THR 160 Cb -0.10 -2.99 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 3mds s THR 160 CO 0.36 0.20 1.26 -2.16 -0.69 0.00 0.00 174.62 173.58 3mds s PRO 161 N 1.54 4.43 -0.04 4.92 0.04 -1.26 -1.14 135.00 143.48 3mds s PRO 161 Ca 0.04 2.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 3mds s PRO 161 Cb -0.16 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 3mds s PRO 161 CO 0.02 -0.11 -0.10 -0.89 0.04 0.00 0.00 177.00 175.96 3mds n ILE 162 N 1.27 0.75 -4.54 0.56 2.08 -0.06 -4.86 119.36 114.55 3mds n ILE 162 Ca 0.01 0.05 -0.23 0.00 0.56 0.00 0.00 62.75 63.15 3mds n ILE 162 Cb 0.43 -1.68 -0.16 0.00 -0.75 0.00 0.00 39.64 37.48 3mds n ILE 162 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3mds s VAL 163 N -2.18 1.02 -0.01 1.39 1.01 -0.81 -4.72 120.40 116.10 3mds s VAL 163 Ca -0.10 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3mds s VAL 163 Cb 0.03 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 3mds s VAL 163 CO 0.13 0.31 -0.15 -0.83 0.00 0.00 0.00 175.10 174.56 3mds s GLY 164 N 0.24 0.74 -0.15 4.51 0.00 -1.26 -0.98 107.32 110.41 3mds s GLY 164 Ca -0.05 -0.64 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3mds s GLY 164 CO 0.01 -0.51 -0.18 -0.42 0.00 0.00 0.00 173.10 172.00 3mds s ILE 165 N -0.31 1.87 -0.18 0.90 1.01 0.50 -4.83 121.20 120.15 3mds s ILE 165 Ca 0.05 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 3mds s ILE 165 Cb -0.06 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 3mds s ILE 165 CO -0.00 0.51 1.30 -0.62 0.00 0.00 0.00 174.94 176.12 3mds s ASP 166 N 1.19 6.89 -0.15 3.58 -1.08 -1.26 -1.51 116.67 124.33 3mds s ASP 166 Ca 0.01 1.67 0.16 0.00 -0.52 0.00 0.00 52.55 53.86 3mds s ASP 166 Cb -0.14 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.24 3mds s ASP 166 CO -0.08 -0.82 1.36 1.33 0.52 0.00 0.00 175.17 177.47 3mds n VAL 167 N 5.49 2.06 -1.98 1.11 0.24 0.12 -4.87 118.33 120.50 3mds n VAL 167 Ca 0.14 -1.81 -0.39 0.00 -2.04 0.00 0.00 64.34 60.24 3mds n VAL 167 Cb 0.45 -0.15 0.01 0.00 -1.47 0.00 0.00 33.84 32.68 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 -2.58 2.61 0.39 6.34 0.52 -1.18 -4.41 118.94 120.63 3mds s TRP 168 Ca 0.38 1.41 0.10 0.00 0.02 0.00 0.00 56.10 58.01 3mds s TRP 168 Cb 0.30 -3.68 0.89 0.00 -1.15 0.00 0.00 33.47 29.83 3mds s TRP 168 CO 0.09 -2.33 1.96 0.93 0.02 0.00 0.00 176.95 177.61 3mds h GLU 169 N 2.07 0.57 -0.01 4.98 5.08 -1.95 -0.92 114.58 124.39 3mds h GLU 169 Ca -0.50 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3mds h GLU 169 Cb 1.27 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3mds h GLU 169 CO 0.60 0.37 0.11 1.12 -1.00 0.00 0.00 179.01 180.21 3mds h HIS 170 N 0.58 0.00 0.00 4.33 2.07 -1.99 0.29 115.15 120.43 3mds h HIS 170 Ca 0.32 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.82 3mds h HIS 170 Cb 0.46 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.44 3mds h HIS 170 CO -0.00 0.00 -0.06 0.00 -3.07 0.00 0.00 177.93 174.80 3mds h ALA 171 N 1.80 0.98 0.00 6.11 0.00 -1.50 -3.39 119.26 123.27 3mds h ALA 171 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3mds h ALA 171 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3mds h ALA 171 CO -0.00 0.08 0.00 2.48 0.00 0.00 0.00 179.25 181.81 3mds n TYR 172 N -3.14 0.00 -0.21 0.00 0.18 -0.55 -4.96 117.16 108.48 3mds n TYR 172 Ca 0.02 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.72 3mds n TYR 172 Cb 0.44 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.42 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 0.97 -0.80 -3.48 3.20 -0.66 -0.99 116.97 115.21 3mds h TYR 173 Ca 0.00 -0.11 0.04 0.00 3.14 0.00 0.00 58.73 61.79 3mds h TYR 173 Cb 0.30 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 3mds h TYR 173 CO 0.00 0.83 0.53 -0.07 -1.64 0.00 0.00 178.16 177.81 3mds h LEU 174 N 0.83 0.85 0.00 2.82 3.38 -1.87 -0.80 115.31 120.54 3mds h LEU 174 Ca 0.18 -0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.76 3mds h LEU 174 Cb 0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 3mds h LEU 174 CO 0.00 0.58 -2.42 1.17 0.09 0.00 0.00 178.44 177.86 3mds n LYS 175 N -4.45 0.67 0.00 1.13 4.81 -1.20 -4.68 118.16 114.44 3mds n LYS 175 Ca 0.10 0.11 0.08 0.00 -0.87 0.00 0.00 58.31 57.73 3mds n LYS 175 Cb 0.12 -1.53 -0.06 0.00 0.02 0.00 0.00 35.03 33.57 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 -3.12 0.00 0.00 5.64 4.01 -0.38 -5.08 117.16 118.24 3mds n TYR 176 Ca -0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 3mds n TYR 176 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 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 -1.00 0.00 0.00 -0.72 3.00 -0.31 -1.16 117.38 117.20 3mds n GLN 177 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.16 3mds n GLN 177 Cb 0.28 0.00 0.62 0.00 0.00 0.00 0.00 30.24 31.15 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 4.03 0.00 -3.72 1.08 6.94 -1.26 -4.47 115.26 117.86 3mds n ASN 178 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.15 3mds n ASN 178 Cb 0.00 -0.32 -0.00 0.00 -2.36 0.00 0.00 39.78 37.10 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 -1.32 3.37 -0.29 -3.83 1.74 -0.30 -4.74 116.66 111.30 3mds n ARG 179 Ca 0.11 -2.99 0.11 0.00 -0.77 0.00 0.00 57.85 54.31 3mds n ARG 179 Cb 0.21 -3.05 0.35 0.00 -1.02 0.00 0.00 32.46 28.95 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 5.69 0.74 -0.74 5.56 2.43 -1.84 -1.80 114.38 124.42 3mds h ARG 180 Ca 0.54 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.66 3mds h ARG 180 Cb 0.57 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3mds h ARG 180 CO 1.75 0.49 0.43 0.00 -1.51 0.00 0.00 179.97 181.12 3mds h ALA 181 N 1.59 1.35 -0.51 2.80 0.00 -1.98 -1.52 119.26 120.99 3mds h ALA 181 Ca 0.45 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 3mds h ALA 181 Cb 0.65 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mds h ALA 181 CO -0.21 0.54 -0.17 -0.44 0.00 0.00 0.00 179.25 178.97 3mds h ASP 182 N 1.03 1.04 -0.60 0.00 3.32 -1.74 -1.69 116.42 117.78 3mds h ASP 182 Ca 0.27 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.96 3mds h ASP 182 Cb -0.01 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 3mds h ASP 182 CO -0.05 1.18 0.38 0.22 -1.72 0.00 0.00 179.24 179.25 3mds h TYR 183 N 0.89 0.71 -0.62 4.55 3.20 -1.14 -2.32 116.97 122.24 3mds h TYR 183 Ca 0.12 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3mds h TYR 183 Cb 0.75 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3mds h TYR 183 CO 0.05 0.42 0.03 -0.07 -1.64 0.00 0.00 178.16 176.95 3mds h LEU 184 N 0.75 1.05 -0.87 2.82 3.38 -1.06 -1.13 115.31 120.25 3mds h LEU 184 Ca 0.24 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3mds h LEU 184 Cb -0.01 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.41 3mds h LEU 184 CO -0.09 1.09 0.57 1.56 0.09 0.00 0.00 178.44 181.66 3mds h GLN 185 N 0.99 1.09 -0.13 1.13 1.08 -1.21 -2.95 115.11 115.11 3mds h GLN 185 Ca 0.18 -0.07 -0.15 0.00 -1.45 0.00 0.00 58.65 57.17 3mds h GLN 185 Cb 0.53 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3mds h GLN 185 CO 0.03 0.72 -0.56 0.00 -0.95 0.00 0.00 178.83 178.07 3mds h ALA 186 N 1.35 0.80 -0.68 3.87 0.00 -0.99 -3.25 119.26 120.36 3mds h ALA 186 Ca 0.34 -0.51 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3mds h ALA 186 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3mds h ALA 186 CO -0.10 0.69 0.45 0.82 0.00 0.00 0.00 179.25 181.11 3mds h ILE 187 N 0.31 0.97 0.00 0.00 1.08 -1.04 -1.49 117.51 117.34 3mds h ILE 187 Ca 0.00 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 3mds h ILE 187 Cb 1.07 0.29 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3mds h ILE 187 CO 0.10 0.11 -0.01 -0.50 -0.69 0.00 0.00 178.15 177.16 3mds h TRP 188 N 0.63 0.00 0.00 1.37 4.06 -1.59 -1.39 115.95 119.02 3mds h TRP 188 Ca 0.30 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.25 3mds h TRP 188 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 3mds h TRP 188 CO -0.00 0.01 0.00 -0.91 -3.56 0.00 0.00 178.44 173.98 3mds h ASN 189 N 0.00 0.00 -0.00 -3.49 2.35 -1.46 -3.33 115.58 109.65 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 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3mds h ASN 189 CO 0.00 0.00 -0.13 1.33 -1.65 0.00 0.00 177.43 176.98 3mds n VAL 190 N -2.89 0.00 -2.07 2.81 0.24 -0.55 -5.02 118.33 110.84 3mds n VAL 190 Ca 0.03 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 3mds n VAL 190 Cb 0.44 1.05 -0.01 0.00 -1.47 0.00 0.00 33.84 33.84 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 -1.47 4.28 -0.43 1.34 1.43 -1.04 -4.55 118.68 118.24 3mds s LEU 191 Ca 0.04 2.67 -0.10 0.00 -1.03 0.00 0.00 54.13 55.70 3mds s LEU 191 Cb 0.04 -3.82 0.08 0.00 0.03 0.00 0.00 46.19 42.52 3mds s LEU 191 CO 0.14 -0.75 0.29 0.21 0.23 0.00 0.00 176.35 176.47 3mds s ASN 192 N -0.65 5.70 0.09 2.29 3.84 0.45 -4.57 114.94 122.09 3mds s ASN 192 Ca 0.54 -1.56 0.24 0.00 0.21 0.00 0.00 52.86 52.30 3mds s ASN 192 Cb -0.39 -2.01 0.96 0.00 -0.55 0.00 0.00 41.25 39.26 3mds s ASN 192 CO 0.50 -0.58 1.76 0.79 -2.79 0.00 0.00 177.10 176.79 3mds n TRP 193 N 4.95 0.36 0.05 0.43 7.02 -0.57 -2.31 117.44 127.37 3mds n TRP 193 Ca -0.10 0.12 -0.10 0.00 -1.02 0.00 0.00 57.50 56.39 3mds n TRP 193 Cb 0.43 -0.69 0.02 0.00 -2.42 0.00 0.00 31.31 28.64 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 0.49 -0.20 -0.99 3.32 -1.90 -1.95 116.42 115.19 3mds h ASP 194 Ca 0.00 -0.33 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 3mds h ASP 194 Cb 0.49 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3mds h ASP 194 CO 0.00 1.08 -0.33 0.58 -1.72 0.00 0.00 179.24 178.85 3mds h VAL 195 N 0.27 1.33 -0.80 -1.35 2.07 -1.84 -2.49 116.25 113.45 3mds h VAL 195 Ca -0.04 -1.54 0.04 0.00 0.82 0.00 0.00 66.70 65.98 3mds h VAL 195 Cb 1.34 1.84 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 3mds h VAL 195 CO 0.13 0.48 0.52 0.00 0.02 0.00 0.00 177.57 178.72 3mds h ALA 196 N 0.61 1.54 -0.59 1.67 0.00 -1.43 -1.80 119.26 119.26 3mds h ALA 196 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3mds h ALA 196 Cb 0.91 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3mds h ALA 196 CO 0.07 0.37 0.22 1.49 0.00 0.00 0.00 179.25 181.40 3mds h GLU 197 N 0.96 0.90 -0.20 0.00 4.57 -1.15 0.28 114.58 119.93 3mds h GLU 197 Ca 0.32 -0.18 0.01 0.00 -1.18 0.00 0.00 59.36 58.34 3mds h GLU 197 Cb 0.09 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3mds h GLU 197 CO -0.10 0.78 0.10 0.93 -1.18 0.00 0.00 179.01 179.54 3mds h GLU 198 N 0.83 0.21 -0.53 1.92 5.08 -0.91 -0.75 114.58 120.43 3mds h GLU 198 Ca 0.20 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3mds h GLU 198 Cb 0.24 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3mds h GLU 198 CO -0.01 0.14 0.31 0.74 -1.00 0.00 0.00 179.01 179.19 3mds h PHE 199 N 0.21 0.59 -0.39 4.33 0.04 -1.02 -1.31 116.94 119.40 3mds h PHE 199 Ca 0.08 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3mds h PHE 199 Cb 0.02 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3mds h PHE 199 CO -0.09 0.33 0.23 0.35 -0.60 0.00 0.00 178.31 178.53 3mds h PHE 200 N 0.62 0.43 -0.12 -0.55 3.57 -0.52 -3.11 116.94 117.26 3mds h PHE 200 Ca 0.21 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3mds h PHE 200 Cb 0.03 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 3mds h PHE 200 CO -0.07 0.25 0.00 0.87 -2.23 0.00 0.00 178.31 177.14 3mds h LYS 201 N 0.47 0.21 0.00 1.11 1.79 -0.97 -3.13 116.57 116.05 3mds h LYS 201 Ca 0.15 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3mds h LYS 201 Cb 0.00 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3mds h LYS 201 CO -0.07 0.45 0.06 -0.22 -1.08 0.00 0.00 179.45 178.59 3mds h LYS 202 N -0.05 0.00 0.00 3.15 3.11 -1.25 -3.51 116.57 118.02 3mds h LYS 202 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 3mds h LYS 202 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.58 3mds h LYS 202 CO 0.01 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.65