#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mug s VAL 2 N 0.00 4.49 0.41 2.03 1.01 -1.26 -4.40 120.40 122.68 1mug s VAL 2 Ca 0.00 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1mug s VAL 2 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 1mug s VAL 2 CO 0.00 -0.10 0.92 -0.70 0.00 0.00 0.00 175.10 175.22 1mug s GLU 3 N 1.56 4.21 0.62 2.72 2.12 -1.26 -5.04 118.70 123.64 1mug s GLU 3 Ca 0.03 1.06 -0.17 0.00 0.36 0.00 0.00 54.97 56.25 1mug s GLU 3 Cb -0.18 -2.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 1mug s GLU 3 CO 0.06 0.01 1.17 -0.51 -0.54 0.00 0.00 175.26 175.45 1mug s ASP 4 N -2.17 5.11 -0.40 -1.70 1.01 -1.26 -4.90 116.67 112.35 1mug s ASP 4 Ca 0.61 2.26 0.03 0.00 0.71 0.00 0.00 52.55 56.16 1mug s ASP 4 Cb -0.09 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.36 1mug s ASP 4 CO 0.14 -1.64 0.14 -0.63 0.21 0.00 0.00 175.17 173.39 1mug s ILE 5 N -1.85 2.10 0.02 0.77 1.01 -0.35 -4.99 121.20 117.91 1mug s ILE 5 Ca 0.74 -2.54 -0.00 0.00 0.00 0.00 0.00 60.65 58.84 1mug s ILE 5 Cb -0.27 -2.52 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1mug s ILE 5 CO 0.36 -0.70 -0.03 -0.76 0.00 0.00 0.00 174.94 173.81 1mug s LEU 6 N 0.58 2.24 0.19 2.97 1.43 -1.26 -0.74 118.68 124.08 1mug s LEU 6 Ca 0.13 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 1mug s LEU 6 Cb -0.21 0.11 0.05 0.00 0.03 0.00 0.00 46.19 46.17 1mug s LEU 6 CO -0.07 -0.32 0.91 0.00 0.23 0.00 0.00 176.35 177.10 1mug s ALA 7 N -1.60 -1.54 0.73 4.21 0.00 -1.26 -5.11 121.76 117.20 1mug s ALA 7 Ca -0.15 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1mug s ALA 7 Cb -0.09 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.75 1mug s ALA 7 CO -0.01 -1.04 1.11 -1.25 0.00 0.00 0.00 175.76 174.56 1mug s PRO 8 N -3.40 2.63 -0.87 0.00 0.04 -1.26 -4.21 135.00 127.93 1mug s PRO 8 Ca 0.12 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1mug s PRO 8 Cb -0.03 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1mug s PRO 8 CO 0.04 -1.17 0.00 0.41 0.04 0.00 0.00 177.00 176.32 1mug n GLY 9 N -3.07 1.00 3.80 0.56 0.00 -1.26 -5.01 105.19 101.20 1mug n GLY 9 Ca 0.07 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1mug n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mug s LEU 10 N -1.85 4.00 -0.10 0.99 1.43 -1.26 -4.95 118.68 116.93 1mug s LEU 10 Ca 0.00 1.89 -0.20 0.00 -1.03 0.00 0.00 54.13 54.80 1mug s LEU 10 Cb 0.00 -4.40 -0.17 0.00 0.03 0.00 0.00 46.19 41.66 1mug s LEU 10 CO 0.00 -0.53 0.62 0.03 0.23 0.00 0.00 176.35 176.70 1mug h ARG 11 N 2.07 -0.05 -4.09 1.70 3.08 -0.86 -1.18 114.38 115.04 1mug h ARG 11 Ca -0.49 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.28 1mug h ARG 11 Cb 1.21 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 30.99 1mug h ARG 11 CO 0.61 0.53 -0.74 0.08 -1.07 0.00 0.00 179.97 179.38 1mug s VAL 12 N -2.43 0.25 -0.24 2.04 1.01 -1.23 -1.06 120.40 118.75 1mug s VAL 12 Ca -0.12 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 1mug s VAL 12 Cb -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1mug s VAL 12 CO 0.46 0.03 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 1mug s VAL 13 N -0.17 3.06 -0.10 2.92 1.01 -0.46 -0.68 120.40 125.98 1mug s VAL 13 Ca 0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1mug s VAL 13 Cb -0.02 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1mug s VAL 13 CO -0.00 0.26 0.57 -0.36 0.00 0.00 0.00 175.10 175.57 1mug s PHE 14 N 1.38 3.53 -0.15 5.22 0.08 0.05 -0.92 117.98 127.16 1mug s PHE 14 Ca 0.02 1.02 0.00 0.00 0.12 0.00 0.00 56.93 58.09 1mug s PHE 14 Cb -0.16 -2.66 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1mug s PHE 14 CO -0.04 0.12 -0.11 0.00 -0.10 0.00 0.00 175.22 175.09 1mug n GLY 16 N 4.80 0.55 0.14 0.00 0.00 -1.10 -1.20 105.19 108.39 1mug n GLY 16 Ca -0.15 -2.01 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 1mug n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1mug h ILE 17 N -0.65 0.68 -2.36 -0.61 5.03 -1.91 -0.55 117.51 117.15 1mug h ILE 17 Ca -0.32 -1.09 0.18 0.00 -0.12 0.00 0.00 64.86 63.50 1mug h ILE 17 Cb 1.18 1.17 -0.06 0.00 -3.03 0.00 0.00 36.82 36.07 1mug h ILE 17 CO 0.34 0.18 0.55 0.54 -0.68 0.00 0.00 178.15 179.09 1mug s ASN 18 N -5.43 -0.08 0.07 1.72 4.22 -1.26 -0.62 114.94 113.56 1mug s ASN 18 Ca -0.11 -0.51 -0.27 0.00 -2.14 0.00 0.00 52.86 49.83 1mug s ASN 18 Cb 0.00 0.47 -0.06 0.00 1.28 0.00 0.00 41.25 42.95 1mug s ASN 18 CO 0.41 -0.90 0.84 -2.84 -2.04 0.00 0.00 177.10 172.56 1mug s PRO 19 N -2.71 4.57 1.12 3.55 0.02 -1.26 -4.98 135.00 135.31 1mug s PRO 19 Ca 0.17 1.21 -0.19 0.00 0.02 0.00 0.00 61.00 62.21 1mug s PRO 19 Cb -0.01 -3.37 0.27 0.00 0.02 0.00 0.00 34.50 31.40 1mug s PRO 19 CO 0.03 0.25 1.24 0.20 -0.33 0.00 0.00 177.00 178.40 1mug s GLY 20 N -0.01 1.72 0.25 0.52 0.00 -1.26 -1.93 107.32 106.61 1mug s GLY 20 Ca 0.42 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1mug s GLY 20 CO 0.25 -0.33 1.70 1.41 0.00 0.00 0.00 173.10 176.14 1mug h LEU 21 N -2.24 0.69 -0.64 0.66 3.38 -1.84 -2.18 115.31 113.13 1mug h LEU 21 Ca -0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1mug h LEU 21 Cb 1.24 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1mug h LEU 21 CO 0.30 0.85 0.33 0.28 0.09 0.00 0.00 178.44 180.29 1mug h SER 22 N 0.63 0.83 0.17 -0.43 0.02 -1.94 0.14 113.55 112.97 1mug h SER 22 Ca 0.10 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1mug h SER 22 Cb 0.61 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1mug h SER 22 CO 0.04 0.71 -0.08 0.28 -1.14 0.00 0.00 176.83 176.64 1mug h SER 23 N 0.88 -0.19 -0.62 3.07 0.02 -1.72 -0.14 113.55 114.85 1mug h SER 23 Ca 0.22 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.09 1mug h SER 23 Cb 0.09 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1mug h SER 23 CO -0.03 0.04 0.41 0.00 -1.14 0.00 0.00 176.83 176.11 1mug h ALA 24 N 0.37 1.83 -0.03 3.77 0.00 -1.23 0.35 119.26 124.31 1mug h ALA 24 Ca -0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1mug h ALA 24 Cb 0.33 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1mug h ALA 24 CO 0.04 0.07 -0.96 0.78 0.00 0.00 0.00 179.25 179.17 1mug h GLY 25 N 0.58 0.74 0.88 0.00 0.00 -0.72 -3.01 103.07 101.55 1mug h GLY 25 Ca 0.27 -1.23 -0.19 0.00 0.00 0.00 0.00 47.33 46.18 1mug h GLY 25 CO -0.08 1.09 -1.54 -1.30 0.00 0.00 0.00 176.54 174.71 1mug n THR 26 N -3.85 1.21 -0.37 4.70 -2.24 -0.09 -4.94 114.28 108.70 1mug n THR 26 Ca -0.09 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1mug n THR 26 Cb 0.84 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 1mug n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mug n GLY 27 N 1.44 0.73 3.57 3.38 0.00 0.12 -5.03 105.19 109.41 1mug n GLY 27 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1mug n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mug s PHE 28 N -2.47 2.83 0.51 1.61 0.08 -1.21 -4.05 117.98 115.28 1mug s PHE 28 Ca 0.00 -0.08 -0.19 0.00 0.12 0.00 0.00 56.93 56.78 1mug s PHE 28 Cb 0.00 -1.58 -0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1mug s PHE 28 CO 0.00 0.35 1.04 -1.25 -0.10 0.00 0.00 175.22 175.26 1mug s PRO 29 N -1.46 3.71 -1.53 0.24 0.04 -1.26 -3.75 135.00 130.99 1mug s PRO 29 Ca 0.17 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.41 1mug s PRO 29 Cb -0.11 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1mug s PRO 29 CO 0.07 -0.50 0.74 1.19 0.04 0.00 0.00 177.00 178.55 1mug n PHE 30 N -1.23 -1.91 0.47 0.56 3.72 -1.26 -4.85 117.46 112.96 1mug n PHE 30 Ca 0.09 0.82 0.13 0.00 -0.05 0.00 0.00 57.45 58.44 1mug n PHE 30 Cb 0.53 -3.65 0.33 0.00 -0.94 0.00 0.00 39.48 35.74 1mug n PHE 30 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mug h ALA 31 N 0.91 1.00 -2.68 4.37 0.00 -1.89 -3.46 119.26 117.51 1mug h ALA 31 Ca -0.60 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1mug h ALA 31 Cb 1.38 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.21 1mug h ALA 31 CO 0.68 0.00 0.77 -1.58 0.00 0.00 0.00 179.25 179.12 1mug s HIS 32 N -3.15 3.08 0.58 0.00 5.04 -1.26 -4.85 115.29 114.73 1mug s HIS 32 Ca 0.09 0.94 0.29 0.00 -1.54 0.00 0.00 55.06 54.84 1mug s HIS 32 Cb 0.10 -3.81 1.49 0.00 0.04 0.00 0.00 32.58 30.39 1mug s HIS 32 CO 0.62 -2.74 1.92 -1.35 -2.34 0.00 0.00 174.74 170.85 1mug h PRO 33 N 5.69 0.00 -0.00 2.88 0.11 -2.02 -0.77 132.00 137.88 1mug h PRO 33 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mug h PRO 33 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mug h PRO 33 CO 0.82 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.28 1mug n ALA 34 N -2.41 3.21 -2.26 -0.75 0.00 -1.26 -4.88 120.51 112.16 1mug n ALA 34 Ca 0.09 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1mug n ALA 34 Cb 0.66 -1.16 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1mug n ALA 34 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1mug s ASN 35 N -2.73 7.01 0.00 0.00 3.84 -0.30 -2.54 114.94 120.23 1mug s ASN 35 Ca 0.19 2.16 0.29 0.00 0.21 0.00 0.00 52.86 55.71 1mug s ASN 35 Cb 0.19 -2.59 1.30 0.00 -0.55 0.00 0.00 41.25 39.60 1mug s ASN 35 CO 0.59 -0.50 1.89 0.54 -2.79 0.00 0.00 177.10 176.83 1mug n ARG 36 N 3.58 1.07 -0.22 0.43 3.00 0.60 -4.54 116.66 120.58 1mug n ARG 36 Ca 0.08 -0.42 -0.06 0.00 -0.01 0.00 0.00 57.85 57.44 1mug n ARG 36 Cb 0.45 -1.49 -0.01 0.00 0.00 0.00 0.00 32.46 31.41 1mug n ARG 36 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1mug h PHE 37 N 1.02 -1.11 -0.80 -1.55 3.57 -1.92 0.55 116.94 116.70 1mug h PHE 37 Ca 0.00 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1mug h PHE 37 Cb 0.33 0.58 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1mug h PHE 37 CO 0.00 -0.40 0.44 -1.49 -2.23 0.00 0.00 178.31 174.63 1mug h TRP 38 N -0.18 1.10 -0.25 0.41 4.06 -1.88 -1.09 115.95 118.12 1mug h TRP 38 Ca 0.22 -0.03 -0.17 0.00 2.06 0.00 0.00 58.89 60.97 1mug h TRP 38 Cb 0.56 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.36 1mug h TRP 38 CO -0.69 0.77 -0.52 -0.22 -3.56 0.00 0.00 178.44 174.21 1mug h LYS 39 N 1.11 0.74 -0.18 0.49 3.64 -1.75 -2.94 116.57 117.69 1mug h LYS 39 Ca 0.28 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 59.18 1mug h LYS 39 Cb 0.03 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1mug h LYS 39 CO -0.05 1.08 -0.00 0.28 -2.27 0.00 0.00 179.45 178.49 1mug h VAL 40 N 0.57 1.25 0.00 2.00 2.07 -0.57 -1.44 116.25 120.14 1mug h VAL 40 Ca 0.02 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1mug h VAL 40 Cb 1.10 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1mug h VAL 40 CO 0.11 0.26 -0.10 0.16 0.02 0.00 0.00 177.57 178.02 1mug h ILE 41 N 0.06 0.30 0.19 4.57 3.07 -1.26 -0.52 117.51 123.92 1mug h ILE 41 Ca 0.05 -0.68 -0.01 0.00 1.55 0.00 0.00 64.86 65.77 1mug h ILE 41 Cb 0.38 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 1mug h ILE 41 CO 0.01 0.10 -0.09 0.22 -1.05 0.00 0.00 178.15 177.34 1mug h TYR 42 N 0.00 -0.24 0.00 0.16 3.20 -1.32 -0.86 116.97 117.91 1mug h TYR 42 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1mug h TYR 42 Cb 0.51 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 1mug h TYR 42 CO 0.00 0.13 -0.12 1.96 -1.64 0.00 0.00 178.16 178.49 1mug h GLN 43 N -0.94 0.00 -0.00 1.82 4.20 -1.04 -1.98 115.11 117.17 1mug h GLN 43 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1mug h GLN 43 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1mug h GLN 43 CO 0.04 0.12 -0.09 0.00 -0.67 0.00 0.00 178.83 178.24 1mug n ALA 44 N -2.33 2.63 0.00 3.87 0.00 -0.22 -4.95 120.51 119.50 1mug n ALA 44 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1mug n ALA 44 Cb 0.22 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1mug n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mug n GLY 45 N 1.38 0.37 0.21 0.00 0.00 -0.75 -4.43 105.19 101.97 1mug n GLY 45 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 1mug n GLY 45 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1mug h PHE 46 N 0.00 0.54 -3.95 1.61 0.04 -1.36 -3.44 116.94 110.38 1mug h PHE 46 Ca 0.00 -0.18 -0.51 0.00 2.80 0.00 0.00 57.97 60.08 1mug h PHE 46 Cb 0.00 -0.11 -0.22 0.00 2.20 0.00 0.00 35.95 37.82 1mug h PHE 46 CO 0.00 0.85 -0.81 0.95 -0.60 0.00 0.00 178.31 178.70 1mug s THR 47 N -4.06 1.50 -2.06 -1.55 -4.23 -1.15 -4.85 115.64 99.25 1mug s THR 47 Ca -0.06 -1.44 0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1mug s THR 47 Cb 0.12 -1.38 0.36 0.00 1.34 0.00 0.00 72.50 72.94 1mug s THR 47 CO 0.82 -0.10 1.33 -0.90 -0.54 0.00 0.00 174.62 175.23 1mug n ASP 48 N 1.21 2.02 -3.59 3.99 5.68 -1.26 -4.54 116.55 120.06 1mug n ASP 48 Ca -0.20 -1.95 -0.11 0.00 -0.50 0.00 0.00 54.79 52.03 1mug n ASP 48 Cb 0.54 -0.23 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 1mug n ASP 48 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mug s ARG 49 N -1.54 1.09 -0.42 0.11 1.70 -1.26 -5.12 118.95 113.51 1mug s ARG 49 Ca 0.27 -0.60 -0.25 0.00 -0.47 0.00 0.00 55.73 54.68 1mug s ARG 49 Cb 0.14 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 35.03 1mug s ARG 49 CO 0.19 -0.43 0.91 -1.14 -1.08 0.00 0.00 175.30 173.75 1mug s GLN 50 N -3.57 3.66 0.51 3.89 0.74 -1.26 -4.75 119.66 118.87 1mug s GLN 50 Ca 0.01 0.31 -0.19 0.00 0.05 0.00 0.00 55.36 55.55 1mug s GLN 50 Cb 0.01 -3.87 -0.08 0.00 1.10 0.00 0.00 33.01 30.17 1mug s GLN 50 CO -0.11 -1.09 1.01 -0.51 -0.55 0.00 0.00 175.29 174.05 1mug s LEU 51 N 3.59 3.74 0.27 3.68 1.43 -1.26 -5.06 118.68 125.07 1mug s LEU 51 Ca 0.37 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1mug s LEU 51 Cb -0.11 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.53 1mug s LEU 51 CO 0.23 -0.75 0.46 -0.54 0.23 0.00 0.00 176.35 175.98 1mug s LYS 52 N -3.58 3.49 0.31 1.70 1.02 -1.26 -4.81 119.74 116.61 1mug s LYS 52 Ca 0.64 -0.41 0.06 0.00 0.02 0.00 0.00 55.97 56.28 1mug s LYS 52 Cb -0.14 -2.77 0.73 0.00 -0.52 0.00 0.00 37.83 35.14 1mug s LYS 52 CO 0.25 0.29 1.81 -1.35 -0.92 0.00 0.00 175.35 175.43 1mug h PRO 53 N 1.30 0.76 0.00 -1.68 0.11 -1.89 -0.14 132.00 130.47 1mug h PRO 53 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1mug h PRO 53 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1mug h PRO 53 CO 0.64 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1mug n GLN 54 N -4.68 0.13 -0.44 1.05 0.00 -1.26 -1.05 117.38 111.13 1mug n GLN 54 Ca 0.21 0.44 0.10 0.00 0.00 0.00 0.00 57.00 57.75 1mug n GLN 54 Cb 0.52 -1.79 0.30 0.00 0.00 0.00 0.00 30.24 29.28 1mug n GLN 54 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1mug n GLU 55 N -2.03 2.94 -0.32 2.61 1.02 -0.07 -4.63 120.64 120.16 1mug n GLU 55 Ca 0.01 -2.45 0.16 0.00 -0.02 0.00 0.00 57.16 54.87 1mug n GLU 55 Cb 0.15 -1.66 0.36 0.00 -0.02 0.00 0.00 31.44 30.27 1mug n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1mug h ALA 56 N 4.10 1.60 -0.24 0.62 0.00 -1.14 0.11 119.26 124.32 1mug h ALA 56 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 1mug h ALA 56 Cb 1.08 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1mug h ALA 56 CO 0.10 -0.39 0.19 0.37 0.00 0.00 0.00 179.25 179.52 1mug h GLN 57 N 0.40 0.00 0.00 0.00 5.75 -1.85 -0.92 115.11 118.49 1mug h GLN 57 Ca 0.61 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.11 1mug h GLN 57 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1mug h GLN 57 CO -0.55 0.00 0.00 0.72 -2.65 0.00 0.00 178.83 176.35 1mug n HIS 58 N -4.24 0.00 0.21 3.99 8.25 0.37 -2.31 115.22 121.48 1mug n HIS 58 Ca 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.55 1mug n HIS 58 Cb 0.34 -0.37 0.57 0.00 1.12 0.00 0.00 29.99 31.65 1mug n HIS 58 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1mug h LEU 59 N 0.00 0.08 -1.85 2.41 3.38 -1.28 -1.16 115.31 116.89 1mug h LEU 59 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1mug h LEU 59 Cb 0.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1mug h LEU 59 CO 0.00 0.11 0.14 -0.07 0.09 0.00 0.00 178.44 178.70 1mug h LEU 60 N 0.09 0.18 -1.61 1.67 3.38 -1.43 -0.46 115.31 117.12 1mug h LEU 60 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1mug h LEU 60 Cb 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mug h LEU 60 CO 0.00 0.13 0.16 0.44 0.09 0.00 0.00 178.44 179.26 1mug h ASP 61 N 0.21 0.37 -0.50 -0.43 3.32 -1.43 -0.27 116.42 117.69 1mug h ASP 61 Ca 0.08 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1mug h ASP 61 Cb 0.07 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1mug h ASP 61 CO -0.02 0.31 0.00 -1.22 -1.72 0.00 0.00 179.24 176.60 1mug n TYR 62 N -4.45 1.20 -3.76 4.55 4.01 -0.24 -4.94 117.16 113.53 1mug n TYR 62 Ca 0.02 -0.47 -0.25 0.00 -0.16 0.00 0.00 57.90 57.03 1mug n TYR 62 Cb 0.10 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 38.96 1mug n TYR 62 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1mug n ARG 63 N 0.81 -5.77 -4.23 -0.72 1.74 -0.11 -4.84 116.66 103.54 1mug n ARG 63 Ca 0.20 0.66 -0.19 0.00 -0.77 0.00 0.00 57.85 57.75 1mug n ARG 63 Cb 0.74 -5.47 -0.12 0.00 -1.02 0.00 0.00 32.46 26.59 1mug n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1mug s GLY 65 N -2.11 1.98 -0.02 0.00 0.00 0.14 -3.24 107.32 104.06 1mug s GLY 65 Ca 0.05 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 1mug s GLY 65 CO 0.03 -1.66 0.06 0.14 0.00 0.00 0.00 173.10 171.68 1mug s VAL 66 N -3.58 -0.00 0.02 1.40 1.01 0.08 -0.77 120.40 118.56 1mug s VAL 66 Ca 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 1mug s VAL 66 Cb 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.35 1mug s VAL 66 CO 0.15 0.00 0.03 1.07 0.00 0.00 0.00 175.10 176.35 1mug n THR 67 N 3.08 0.00 -3.74 3.92 5.66 -0.55 -1.22 114.28 121.43 1mug n THR 67 Ca -0.13 -0.09 -0.11 0.00 -3.05 0.00 0.00 64.05 60.67 1mug n THR 67 Cb 0.59 0.06 -0.07 0.00 -1.55 0.00 0.00 70.33 69.36 1mug n THR 67 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1mug s LYS 68 N -2.04 0.86 0.08 1.09 -2.85 -1.26 -2.70 119.74 112.92 1mug s LYS 68 Ca 0.01 -0.59 -0.11 0.00 -1.00 0.00 0.00 55.97 54.29 1mug s LYS 68 Cb -0.00 0.37 -0.22 0.00 -2.06 0.00 0.00 37.83 35.92 1mug s LYS 68 CO 0.01 -0.29 1.18 1.25 0.10 0.00 0.00 175.35 177.61 1mug h LEU 69 N 3.02 0.77 -8.20 2.77 5.85 -0.90 -3.46 115.31 115.16 1mug h LEU 69 Ca -0.32 -0.67 -0.54 0.00 0.84 0.00 0.00 57.88 57.19 1mug h LEU 69 Cb 1.21 -0.24 -0.31 0.00 0.37 0.00 0.00 40.66 41.69 1mug h LEU 69 CO 0.47 1.48 -0.83 -0.69 -0.34 0.00 0.00 178.44 178.53 1mug s VAL 70 N -3.13 1.32 0.11 1.05 1.01 0.21 -4.27 120.40 116.70 1mug s VAL 70 Ca -0.08 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 1mug s VAL 70 Cb 0.07 -1.13 -0.23 0.00 0.00 0.00 0.00 36.38 35.09 1mug s VAL 70 CO 0.91 0.38 1.24 0.44 0.00 0.00 0.00 175.10 178.08 1mug h ASP 71 N 6.19 0.31 -2.20 3.32 3.32 -1.88 -3.37 116.42 122.11 1mug h ASP 71 Ca -0.33 -0.31 -0.56 0.00 0.02 0.00 0.00 57.03 55.85 1mug h ASP 71 Cb 1.17 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.64 1mug h ASP 71 CO 0.48 1.19 1.25 -1.14 -1.72 0.00 0.00 179.24 179.30 1mug n ARG 72 N -3.55 2.56 -2.49 3.56 0.63 -1.26 -4.55 116.66 111.56 1mug n ARG 72 Ca -0.05 0.91 -0.35 0.00 -0.92 0.00 0.00 57.85 57.44 1mug n ARG 72 Cb 0.93 -2.96 -0.03 0.00 0.45 0.00 0.00 32.46 30.86 1mug n ARG 72 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1mug s PRO 73 N 4.71 3.85 0.05 -0.14 0.02 -1.26 -4.34 135.00 137.89 1mug s PRO 73 Ca 0.92 1.47 -0.19 0.00 0.02 0.00 0.00 61.00 63.22 1mug s PRO 73 Cb -0.48 -2.24 0.04 0.00 0.02 0.00 0.00 34.50 31.84 1mug s PRO 73 CO 0.43 -0.40 0.43 0.95 -0.33 0.00 0.00 177.00 178.08 1mug s THR 74 N -1.83 0.05 0.20 0.99 -4.23 -0.81 -5.00 115.64 105.01 1mug s THR 74 Ca 0.65 -0.42 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 1mug s THR 74 Cb -0.20 -0.97 0.13 0.00 1.34 0.00 0.00 72.50 72.80 1mug s THR 74 CO 0.24 -0.23 1.80 0.58 -0.54 0.00 0.00 174.62 176.47 1mug h VAL 75 N 2.91 1.23 -4.03 2.29 2.07 -1.93 -3.27 116.25 115.52 1mug h VAL 75 Ca -0.31 -0.63 -0.54 0.00 0.82 0.00 0.00 66.70 66.03 1mug h VAL 75 Cb 1.21 0.31 -0.24 0.00 -1.52 0.00 0.00 31.29 31.05 1mug h VAL 75 CO 0.43 0.27 -0.82 -1.10 0.02 0.00 0.00 177.57 176.37 1mug s GLN 76 N -5.75 1.17 0.28 1.57 -0.21 -1.26 -4.71 119.66 110.76 1mug s GLN 76 Ca -0.13 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.23 1mug s GLN 76 Cb 0.15 -1.33 0.42 0.00 1.00 0.00 0.00 33.01 33.24 1mug s GLN 76 CO 0.81 0.32 1.79 0.00 -2.12 0.00 0.00 175.29 176.09 1mug h ALA 77 N 4.48 1.19 0.00 6.09 0.00 -1.95 -2.68 119.26 126.39 1mug h ALA 77 Ca -0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1mug h ALA 77 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1mug h ALA 77 CO 0.42 0.53 0.02 0.27 0.00 0.00 0.00 179.25 180.49 1mug n ASN 78 N -4.23 0.00 -0.10 0.00 6.94 -1.26 -0.79 115.26 115.81 1mug n ASN 78 Ca 0.02 0.29 0.14 0.00 -0.02 0.00 0.00 54.58 55.01 1mug n ASN 78 Cb 0.28 -0.29 0.53 0.00 -2.36 0.00 0.00 39.78 37.94 1mug n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1mug n GLU 79 N -1.28 0.53 -3.05 -3.83 1.02 -1.01 -4.81 120.64 108.21 1mug n GLU 79 Ca 0.00 -0.21 -0.40 0.00 -0.02 0.00 0.00 57.16 56.54 1mug n GLU 79 Cb 0.02 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 1mug n GLU 79 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mug s VAL 80 N -2.62 4.93 0.52 2.62 1.01 0.03 -5.05 120.40 121.84 1mug s VAL 80 Ca 0.24 1.47 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 1mug s VAL 80 Cb 0.19 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1mug s VAL 80 CO 0.52 0.31 0.98 -0.94 0.00 0.00 0.00 175.10 175.98 1mug s SER 81 N 0.37 6.59 0.54 3.32 1.04 -1.26 -4.95 113.70 119.35 1mug s SER 81 Ca 0.37 1.54 0.23 0.00 0.48 0.00 0.00 55.95 58.57 1mug s SER 81 Cb -0.19 -2.50 1.48 0.00 0.10 0.00 0.00 66.02 64.91 1mug s SER 81 CO 0.20 -0.60 2.16 0.11 0.98 0.00 0.00 173.24 176.08 1mug h LYS 82 N 0.83 0.00 -0.02 4.02 1.57 -1.97 -0.51 116.57 120.48 1mug h LYS 82 Ca -0.47 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 1mug h LYS 82 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1mug h LYS 82 CO 0.62 0.05 -0.74 1.96 -0.57 0.00 0.00 179.45 180.77 1mug h GLN 83 N 0.00 0.12 -0.23 3.15 7.50 -1.97 -2.31 115.11 121.36 1mug h GLN 83 Ca -0.00 -0.10 -0.15 0.00 0.50 0.00 0.00 58.65 58.89 1mug h GLN 83 Cb 0.10 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.66 1mug h GLN 83 CO 0.01 0.80 -0.45 0.93 -1.50 0.00 0.00 178.83 178.62 1mug h GLU 84 N 0.08 0.71 -0.82 1.46 5.08 -1.51 -2.74 114.58 116.84 1mug h GLU 84 Ca -0.02 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 1mug h GLU 84 Cb 1.30 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.55 1mug h GLU 84 CO 0.11 1.08 0.51 -0.07 -1.00 0.00 0.00 179.01 179.64 1mug h LEU 85 N 0.43 0.83 -0.46 1.33 3.38 -1.19 -2.25 115.31 117.38 1mug h LEU 85 Ca 0.01 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1mug h LEU 85 Cb 1.06 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1mug h LEU 85 CO 0.10 0.55 -0.09 -0.74 0.09 0.00 0.00 178.44 178.35 1mug h HIS 86 N 0.97 0.97 0.00 1.13 2.76 -1.34 -2.48 115.15 117.15 1mug h HIS 86 Ca 0.35 -0.20 -0.06 0.00 -2.20 0.00 0.00 60.37 58.26 1mug h HIS 86 Cb 0.10 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 1mug h HIS 86 CO -0.03 0.95 -0.28 0.00 -1.30 0.00 0.00 177.93 177.26 1mug h ALA 87 N 0.88 1.27 -0.04 5.26 0.00 -1.24 -2.37 119.26 123.03 1mug h ALA 87 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1mug h ALA 87 Cb 0.62 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1mug h ALA 87 CO 0.04 0.35 -0.50 0.78 0.00 0.00 0.00 179.25 179.92 1mug h GLY 88 N 1.24 0.10 0.74 0.00 0.00 -1.03 -3.21 103.07 100.92 1mug h GLY 88 Ca -0.00 -0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.27 1mug h GLY 88 CO 0.04 0.10 0.45 -1.33 0.00 0.00 0.00 176.54 175.80 1mug h GLY 89 N 1.45 1.11 0.90 4.60 0.00 -0.98 -1.17 103.07 108.97 1mug h GLY 89 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1mug h GLY 89 CO 0.07 0.23 0.07 3.21 0.00 0.00 0.00 176.54 180.12 1mug h ARG 90 N 0.84 0.22 -0.66 4.80 3.08 -1.65 -1.41 114.38 119.60 1mug h ARG 90 Ca 0.32 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 1mug h ARG 90 Cb 0.14 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1mug h ARG 90 CO -0.16 0.29 0.22 0.87 -1.07 0.00 0.00 179.97 180.12 1mug h LYS 91 N 0.11 1.00 -0.28 0.04 1.57 -1.62 -2.28 116.57 115.11 1mug h LYS 91 Ca 0.05 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1mug h LYS 91 Cb 0.14 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1mug h LYS 91 CO -0.01 0.85 0.16 1.25 -0.57 0.00 0.00 179.45 181.13 1mug h LEU 92 N 0.97 0.34 -0.57 2.94 5.85 -1.00 -1.28 115.31 122.56 1mug h LEU 92 Ca 0.22 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.92 1mug h LEU 92 Cb 0.25 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1mug h LEU 92 CO -0.01 0.32 0.28 0.40 -0.34 0.00 0.00 178.44 179.09 1mug h ILE 93 N 0.34 0.91 -0.83 4.05 2.04 -1.04 -0.99 117.51 121.99 1mug h ILE 93 Ca 0.10 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1mug h ILE 93 Cb 0.05 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 1mug h ILE 93 CO -0.02 0.10 0.54 -0.33 0.00 0.00 0.00 178.15 178.44 1mug h GLU 94 N 0.52 1.06 -0.25 2.37 5.08 -0.97 -0.88 114.58 121.50 1mug h GLU 94 Ca 0.26 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1mug h GLU 94 Cb 0.21 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1mug h GLU 94 CO -0.20 0.70 0.13 0.87 -1.00 0.00 0.00 179.01 179.51 1mug h LYS 95 N 1.09 0.36 -0.48 2.33 1.57 -0.31 -1.48 116.57 119.65 1mug h LYS 95 Ca 0.31 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1mug h LYS 95 Cb -0.08 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1mug h LYS 95 CO -0.08 0.34 -0.01 0.82 -0.57 0.00 0.00 179.45 179.95 1mug h ILE 96 N 0.29 1.24 0.00 1.86 1.08 -0.98 0.08 117.51 121.08 1mug h ILE 96 Ca 0.09 -1.02 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 1mug h ILE 96 Cb 0.09 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1mug h ILE 96 CO -0.01 0.36 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.21 1mug h GLU 97 N 0.75 0.00 0.12 2.37 5.08 -0.98 0.23 114.58 122.15 1mug h GLU 97 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1mug h GLU 97 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1mug h GLU 97 CO 0.02 0.26 -0.06 0.22 -1.00 0.00 0.00 179.01 178.46 1mug h ASP 98 N 0.00 -0.13 1.19 1.42 1.82 -0.31 -3.38 116.42 117.02 1mug h ASP 98 Ca -0.00 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.48 1mug h ASP 98 Cb 0.52 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.56 1mug h ASP 98 CO 0.03 0.38 -0.40 1.88 -1.61 0.00 0.00 179.24 179.52 1mug h TYR 99 N -1.03 0.00 -6.31 0.28 0.05 -1.03 -3.49 116.97 105.44 1mug h TYR 99 Ca -0.02 0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.31 1mug h TYR 99 Cb 0.20 0.00 0.03 0.00 1.01 0.00 0.00 36.73 37.97 1mug h TYR 99 CO 0.02 0.40 -0.91 1.04 -1.05 0.00 0.00 178.16 177.67 1mug n GLN 100 N -3.35 -2.41 -1.39 4.88 6.02 0.81 -4.28 117.38 117.65 1mug n GLN 100 Ca 0.01 0.45 -0.29 0.00 -0.01 0.00 0.00 57.00 57.17 1mug n GLN 100 Cb 0.60 -4.38 0.15 0.00 1.02 0.00 0.00 30.24 27.63 1mug n GLN 100 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1mug s PRO 101 N -6.20 0.92 0.27 -1.09 0.04 -1.26 -4.68 135.00 123.01 1mug s PRO 101 Ca 0.25 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1mug s PRO 101 Cb -0.09 -1.80 0.37 0.00 0.04 0.00 0.00 34.50 33.02 1mug s PRO 101 CO 0.87 -2.37 1.70 1.96 0.04 0.00 0.00 177.00 179.20 1mug h GLN 102 N -1.63 0.51 -3.23 4.56 4.20 -0.91 -3.39 115.11 115.23 1mug h GLN 102 Ca -0.52 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 57.89 1mug h GLN 102 Cb 1.33 -0.03 -0.18 0.00 0.30 0.00 0.00 27.48 28.90 1mug h GLN 102 CO 0.60 0.73 -0.25 0.00 -0.67 0.00 0.00 178.83 179.25 1mug s ALA 103 N -4.47 -0.72 -0.16 3.87 0.00 -0.22 -1.87 121.76 118.19 1mug s ALA 103 Ca -0.07 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1mug s ALA 103 Cb 0.14 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1mug s ALA 103 CO 0.80 -0.38 -0.15 -1.17 0.00 0.00 0.00 175.76 174.86 1mug s LEU 104 N -1.89 2.49 -0.33 0.00 2.96 0.08 -1.36 118.68 120.64 1mug s LEU 104 Ca -0.07 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.32 1mug s LEU 104 Cb -0.02 -1.57 0.04 0.00 0.50 0.00 0.00 46.19 45.14 1mug s LEU 104 CO -0.01 0.08 0.07 0.00 -1.32 0.00 0.00 176.35 175.16 1mug s ALA 105 N 0.87 2.97 -0.21 5.97 0.00 -0.10 -0.99 121.76 130.27 1mug s ALA 105 Ca -0.04 -1.74 -0.20 0.00 0.00 0.00 0.00 51.96 49.98 1mug s ALA 105 Cb -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 1mug s ALA 105 CO -0.01 -1.31 0.60 0.42 0.00 0.00 0.00 175.76 175.46 1mug s ILE 106 N 1.36 5.03 -1.01 0.00 1.09 0.14 -0.70 121.20 127.10 1mug s ILE 106 Ca -0.03 1.11 -0.18 0.00 -1.10 0.00 0.00 60.65 60.46 1mug s ILE 106 Cb -0.20 -3.91 0.14 0.00 -1.06 0.00 0.00 42.46 37.43 1mug s ILE 106 CO 0.02 0.11 1.23 -0.76 -0.10 0.00 0.00 174.94 175.43 1mug s LEU 107 N 1.98 4.98 0.00 2.97 1.43 -0.34 -0.89 118.68 128.81 1mug s LEU 107 Ca 0.27 -2.28 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 1mug s LEU 107 Cb -0.16 -2.41 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1mug s LEU 107 CO 0.10 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.29 1mug n GLY 108 N 5.18 3.91 0.19 -3.19 0.00 0.12 -4.40 105.19 106.99 1mug n GLY 108 Ca 0.28 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1mug n GLY 108 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mug h LYS 109 N 0.00 0.58 -0.36 1.61 3.64 -1.87 -2.40 116.57 117.77 1mug h LYS 109 Ca 0.00 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1mug h LYS 109 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1mug h LYS 109 CO 0.00 0.58 0.21 0.37 -2.27 0.00 0.00 179.45 178.34 1mug h GLN 110 N 0.47 0.42 -0.39 1.90 5.75 -1.99 -0.50 115.11 120.77 1mug h GLN 110 Ca 0.12 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1mug h GLN 110 Cb 0.23 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 28.62 1mug h GLN 110 CO -0.01 0.28 0.02 0.00 -2.65 0.00 0.00 178.83 176.47 1mug h ALA 111 N 1.16 0.38 0.16 3.38 0.00 -1.85 -0.20 119.26 122.28 1mug h ALA 111 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1mug h ALA 111 Cb -0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1mug h ALA 111 CO -0.06 -0.38 -0.08 -0.92 0.00 0.00 0.00 179.25 177.81 1mug h TYR 112 N 0.13 -0.20 -0.28 0.00 3.20 -0.90 -0.34 116.97 118.58 1mug h TYR 112 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1mug h TYR 112 Cb 0.26 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 1mug h TYR 112 CO -0.25 -0.12 -0.01 0.93 -1.64 0.00 0.00 178.16 177.07 1mug h GLU 113 N -0.21 0.07 -0.06 1.82 5.08 -0.71 0.11 114.58 120.67 1mug h GLU 113 Ca -0.02 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1mug h GLU 113 Cb 0.17 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1mug h GLU 113 CO 0.03 0.05 -0.20 1.96 -1.00 0.00 0.00 179.01 179.86 1mug h GLN 114 N 0.08 0.25 -0.37 2.33 7.50 -1.02 -0.55 115.11 123.32 1mug h GLN 114 Ca 0.13 -0.18 -0.03 0.00 0.50 0.00 0.00 58.65 59.07 1mug h GLN 114 Cb 0.18 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.72 1mug h GLN 114 CO -0.23 0.80 0.10 0.78 -1.50 0.00 0.00 178.83 178.78 1mug h GLY 115 N -0.26 0.58 -1.68 3.46 0.00 -1.01 -3.07 103.07 101.08 1mug h GLY 115 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1mug h GLY 115 CO 0.04 0.28 0.00 0.69 0.00 0.00 0.00 176.54 177.55 1mug n PHE 116 N -4.35 0.55 -3.68 5.60 3.01 0.02 -4.13 117.46 114.48 1mug n PHE 116 Ca 0.02 -0.44 -0.21 0.00 1.01 0.00 0.00 57.45 57.83 1mug n PHE 116 Cb 0.18 -0.02 0.04 0.00 -0.01 0.00 0.00 39.48 39.67 1mug n PHE 116 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mug n SER 117 N 0.88 -1.60 -4.60 4.37 7.64 -0.39 -5.01 113.62 114.91 1mug n SER 117 Ca 0.15 -0.79 -0.24 0.00 1.01 0.00 0.00 58.87 59.00 1mug n SER 117 Cb 0.48 -4.19 -0.08 0.00 -1.01 0.00 0.00 64.21 59.41 1mug n SER 117 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1mug s GLN 118 N -5.96 2.05 -0.00 1.43 -1.52 -0.35 -5.05 119.66 110.26 1mug s GLN 118 Ca 0.06 -1.65 -0.05 0.00 -1.95 0.00 0.00 55.36 51.77 1mug s GLN 118 Cb -0.03 -1.96 -0.00 0.00 -0.22 0.00 0.00 33.01 30.80 1mug s GLN 118 CO 0.80 0.25 0.09 1.03 -0.25 0.00 0.00 175.29 177.21 1mug s ARG 119 N -3.65 0.36 -1.30 2.91 1.81 -1.26 -4.54 118.95 113.27 1mug s ARG 119 Ca 0.33 -0.33 -0.03 0.00 -1.72 0.00 0.00 55.73 53.97 1mug s ARG 119 Cb -0.03 0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.63 1mug s ARG 119 CO 0.18 -0.08 0.95 0.41 -0.68 0.00 0.00 175.30 176.09 1mug n GLY 120 N 1.85 -0.39 3.81 -3.53 0.00 -1.26 -4.96 105.19 100.70 1mug n GLY 120 Ca -0.21 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1mug n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mug s ALA 121 N -3.43 2.98 0.17 4.61 0.00 -1.26 -5.07 121.76 119.76 1mug s ALA 121 Ca 0.20 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1mug s ALA 121 Cb -0.09 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 1mug s ALA 121 CO 0.76 -0.08 0.23 -0.65 0.00 0.00 0.00 175.76 176.03 1mug s GLN 122 N -3.32 3.23 0.83 0.00 -1.52 -1.26 -5.11 119.66 112.51 1mug s GLN 122 Ca 0.63 -0.73 -0.11 0.00 -1.95 0.00 0.00 55.36 53.20 1mug s GLN 122 Cb -0.12 -2.83 0.09 0.00 -0.22 0.00 0.00 33.01 29.94 1mug s GLN 122 CO 0.18 0.49 1.09 -1.58 -0.25 0.00 0.00 175.29 175.23 1mug s TRP 123 N -1.79 2.40 0.00 0.91 0.52 -1.26 -4.80 118.94 114.92 1mug s TRP 123 Ca 0.33 1.46 0.00 0.00 0.02 0.00 0.00 56.10 57.91 1mug s TRP 123 Cb -0.10 -3.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 1mug s TRP 123 CO 0.27 -2.11 0.00 0.41 0.02 0.00 0.00 176.95 175.54 1mug n GLY 124 N -1.05 -1.30 3.72 0.98 0.00 -0.12 -4.90 105.19 102.52 1mug n GLY 124 Ca 0.08 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1mug n GLY 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mug s LYS 125 N 0.00 4.33 0.47 1.61 2.20 -1.26 -0.70 119.74 126.39 1mug s LYS 125 Ca 0.00 2.08 0.04 0.00 -0.36 0.00 0.00 55.97 57.73 1mug s LYS 125 Cb 0.00 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1mug s LYS 125 CO 0.00 -0.40 0.66 -0.65 -0.36 0.00 0.00 175.35 174.60 1mug s GLN 126 N 0.81 2.77 0.15 4.03 -1.52 -0.03 -4.96 119.66 120.91 1mug s GLN 126 Ca 0.63 -0.92 0.19 0.00 -1.95 0.00 0.00 55.36 53.30 1mug s GLN 126 Cb -0.37 -2.63 -0.05 0.00 -0.22 0.00 0.00 33.01 29.75 1mug s GLN 126 CO 0.32 -0.42 1.00 1.79 -0.25 0.00 0.00 175.29 177.74 1mug h THR 127 N 0.40 0.36 -3.97 -0.19 1.35 -1.96 -3.43 112.91 105.46 1mug h THR 127 Ca -0.42 -1.65 -0.51 0.00 -0.55 0.00 0.00 66.41 63.27 1mug h THR 127 Cb 1.28 1.90 0.06 0.00 -1.73 0.00 0.00 68.15 69.67 1mug h THR 127 CO 0.50 0.20 0.51 -0.22 -0.25 0.00 0.00 175.52 176.27 1mug s LEU 128 N -5.75 4.10 0.15 3.87 2.96 -1.26 -5.01 118.68 117.75 1mug s LEU 128 Ca -0.01 2.37 -0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1mug s LEU 128 Cb 0.09 -4.11 -0.04 0.00 0.50 0.00 0.00 46.19 42.62 1mug s LEU 128 CO 0.79 -0.83 0.08 0.42 -1.32 0.00 0.00 176.35 175.49 1mug s THR 129 N -1.45 0.08 -0.50 3.68 -4.23 -1.26 -3.62 115.64 108.34 1mug s THR 129 Ca 0.60 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.22 1mug s THR 129 Cb -0.31 -2.15 0.13 0.00 1.34 0.00 0.00 72.50 71.51 1mug s THR 129 CO 0.38 -0.35 0.24 -0.63 -0.54 0.00 0.00 174.62 173.72 1mug s ILE 130 N -4.07 2.72 0.00 2.99 1.01 -0.49 -4.98 121.20 118.37 1mug s ILE 130 Ca 0.27 -3.04 0.00 0.00 0.00 0.00 0.00 60.65 57.89 1mug s ILE 130 Cb 0.07 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1mug s ILE 130 CO 0.04 -0.77 0.00 0.61 0.00 0.00 0.00 174.94 174.82 1mug n GLY 131 N 3.44 2.23 0.04 6.18 0.00 -1.26 -1.40 105.19 114.41 1mug n GLY 131 Ca 0.05 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.85 1mug n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mug n SER 132 N 5.68 0.27 -4.69 1.61 7.64 -1.26 -4.84 113.62 118.03 1mug n SER 132 Ca 0.00 -0.08 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 1mug n SER 132 Cb 0.00 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 1mug n SER 132 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1mug s THR 133 N -2.79 4.16 0.58 0.44 2.01 -0.49 -4.91 115.64 114.64 1mug s THR 133 Ca 0.20 1.50 -0.15 0.00 0.31 0.00 0.00 61.69 63.55 1mug s THR 133 Cb 0.19 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1mug s THR 133 CO 0.54 0.02 1.03 -1.10 -0.69 0.00 0.00 174.62 174.43 1mug s GLN 134 N 2.00 3.50 -0.11 4.92 -0.21 -0.78 -1.40 119.66 127.59 1mug s GLN 134 Ca 0.57 1.05 0.03 0.00 0.02 0.00 0.00 55.36 57.03 1mug s GLN 134 Cb -0.26 -2.07 0.01 0.00 1.00 0.00 0.00 33.01 31.69 1mug s GLN 134 CO 0.24 -0.65 -0.21 0.42 -2.12 0.00 0.00 175.29 172.97 1mug s ILE 135 N -2.66 1.93 -0.01 1.08 1.01 -1.24 -0.74 121.20 120.57 1mug s ILE 135 Ca 0.60 -0.92 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1mug s ILE 135 Cb -0.13 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.63 1mug s ILE 135 CO 0.39 0.53 -0.19 0.26 0.00 0.00 0.00 174.94 175.93 1mug s TRP 136 N 0.61 1.71 -0.29 3.97 0.52 -0.16 -0.85 118.94 124.45 1mug s TRP 136 Ca -0.13 -0.33 -0.05 0.00 0.02 0.00 0.00 56.10 55.61 1mug s TRP 136 Cb -0.17 -1.09 0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1mug s TRP 136 CO 0.03 -0.02 0.04 0.08 0.02 0.00 0.00 176.95 177.11 1mug s VAL 137 N -0.48 3.63 0.13 4.03 1.01 0.12 -0.69 120.40 128.16 1mug s VAL 137 Ca 0.07 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1mug s VAL 137 Cb -0.07 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1mug s VAL 137 CO -0.00 0.09 -0.15 -0.76 0.00 0.00 0.00 175.10 174.27 1mug s LEU 138 N 1.44 2.82 0.46 3.92 1.43 -0.06 -0.95 118.68 127.74 1mug s LEU 138 Ca 0.01 -0.55 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1mug s LEU 138 Cb -0.17 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.37 1mug s LEU 138 CO 0.01 0.16 1.24 -2.16 0.23 0.00 0.00 176.35 175.82 1mug s PRO 139 N -2.35 3.68 0.19 1.29 0.04 -1.26 0.13 135.00 136.72 1mug s PRO 139 Ca 0.20 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 1mug s PRO 139 Cb -0.10 -2.46 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1mug s PRO 139 CO 0.12 -0.67 1.35 1.21 0.04 0.00 0.00 177.00 179.05 1mug s ASN 140 N -1.13 6.84 0.00 6.66 2.47 -1.26 -4.65 114.94 123.87 1mug s ASN 140 Ca 0.63 2.43 0.29 0.00 0.42 0.00 0.00 52.86 56.64 1mug s ASN 140 Cb -0.33 -2.61 1.37 0.00 -1.45 0.00 0.00 41.25 38.23 1mug s ASN 140 CO 0.41 -0.58 1.93 -0.81 -3.72 0.00 0.00 177.10 174.32 1mug n PRO 141 N 2.87 1.41 -1.64 0.43 -0.04 -1.26 -4.73 135.00 132.05 1mug n PRO 141 Ca 0.07 -0.59 -0.37 0.00 -0.04 0.00 0.00 63.50 62.57 1mug n PRO 141 Cb 0.42 -1.48 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1mug n PRO 141 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mug n SER 142 N -0.27 1.05 0.27 3.54 3.41 -1.26 -0.29 113.62 120.07 1mug n SER 142 Ca 0.21 0.80 0.18 0.00 -0.26 0.00 0.00 58.87 59.80 1mug n SER 142 Cb 0.26 -1.43 0.96 0.00 -0.26 0.00 0.00 64.21 63.73 1mug n SER 142 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1mug h GLY 143 N 0.41 0.00 2.00 5.00 0.00 -1.83 -1.37 103.07 107.28 1mug h GLY 143 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1mug h GLY 143 CO 0.51 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 175.05 1mug h LEU 144 N 0.00 0.00 -9.89 3.11 5.85 -1.88 -3.45 115.31 109.06 1mug h LEU 144 Ca 0.00 0.00 -0.48 0.00 0.84 0.00 0.00 57.88 58.24 1mug h LEU 144 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1mug h LEU 144 CO 0.00 0.00 0.40 -0.44 -0.34 0.00 0.00 178.44 178.06 1mug s SER 145 N -4.82 7.12 0.00 1.25 0.01 -0.52 -4.94 113.70 111.79 1mug s SER 145 Ca 0.10 2.03 0.03 0.00 1.31 0.00 0.00 55.95 59.42 1mug s SER 145 Cb 0.11 -2.60 0.11 0.00 0.21 0.00 0.00 66.02 63.86 1mug s SER 145 CO 0.60 -0.24 1.09 0.54 0.41 0.00 0.00 173.24 175.64 1mug n ARG 146 N 0.54 1.22 -2.92 12.44 1.74 -1.26 -4.85 116.66 123.57 1mug n ARG 146 Ca 0.02 -0.34 -0.40 0.00 -0.77 0.00 0.00 57.85 56.36 1mug n ARG 146 Cb 0.48 -1.08 -0.05 0.00 -1.02 0.00 0.00 32.46 30.79 1mug n ARG 146 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1mug s VAL 147 N -1.87 4.59 0.67 1.55 1.01 -1.26 -5.05 120.40 120.03 1mug s VAL 147 Ca 0.07 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.69 1mug s VAL 147 Cb 0.04 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1mug s VAL 147 CO 0.05 0.39 1.06 -0.94 0.00 0.00 0.00 175.10 175.66 1mug s SER 148 N -0.29 5.51 0.38 3.32 1.04 -1.26 -4.89 113.70 117.50 1mug s SER 148 Ca 0.40 1.65 0.07 0.00 0.48 0.00 0.00 55.95 58.55 1mug s SER 148 Cb -0.22 -2.50 0.79 0.00 0.10 0.00 0.00 66.02 64.18 1mug s SER 148 CO 0.25 -1.36 1.98 0.25 0.98 0.00 0.00 173.24 175.35 1mug h LEU 149 N -0.44 0.61 -0.15 2.42 5.85 -1.99 -2.04 115.31 119.58 1mug h LEU 149 Ca -0.44 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 1mug h LEU 149 Cb 1.21 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1mug h LEU 149 CO 0.57 0.40 0.09 -0.08 -0.34 0.00 0.00 178.44 179.08 1mug h GLU 150 N 0.69 0.20 -0.39 1.25 4.81 -1.99 -0.11 114.58 119.04 1mug h GLU 150 Ca 0.28 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 1mug h GLU 150 Cb 0.23 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1mug h GLU 150 CO -0.09 0.17 -0.15 0.87 -0.73 0.00 0.00 179.01 179.09 1mug h LYS 151 N 0.18 0.72 0.26 1.92 1.79 -1.80 -1.40 116.57 118.23 1mug h LYS 151 Ca 0.05 -0.25 -0.01 0.00 -2.18 0.00 0.00 60.65 58.26 1mug h LYS 151 Cb 0.02 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1mug h LYS 151 CO -0.01 0.83 -0.13 -0.07 -1.08 0.00 0.00 179.45 179.00 1mug h LEU 152 N 0.65 -0.30 -0.87 2.94 4.07 -1.11 -1.45 115.31 119.24 1mug h LEU 152 Ca 0.11 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 58.08 1mug h LEU 152 Cb 0.61 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.38 1mug h LEU 152 CO 0.04 -0.18 0.56 0.58 -1.08 0.00 0.00 178.44 178.36 1mug h VAL 153 N -0.38 1.17 -0.15 1.22 2.07 -0.82 -0.92 116.25 118.44 1mug h VAL 153 Ca -0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1mug h VAL 153 Cb 0.29 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1mug h VAL 153 CO 0.06 0.20 0.08 -0.33 0.02 0.00 0.00 177.57 177.60 1mug h GLU 154 N 1.12 0.20 -0.66 1.57 5.08 -1.10 0.05 114.58 120.84 1mug h GLU 154 Ca 0.34 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 1mug h GLU 154 Cb -0.04 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1mug h GLU 154 CO -0.10 0.21 0.29 0.00 -1.00 0.00 0.00 179.01 178.41 1mug h ALA 155 N 0.99 0.85 -0.10 3.43 0.00 -0.86 -2.31 119.26 121.25 1mug h ALA 155 Ca 0.05 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1mug h ALA 155 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1mug h ALA 155 CO -0.01 0.44 -0.74 1.88 0.00 0.00 0.00 179.25 180.82 1mug h TYR 156 N 0.91 0.68 -0.05 0.00 -1.99 -1.04 -3.05 116.97 112.43 1mug h TYR 156 Ca 0.22 -0.30 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 1mug h TYR 156 Cb 0.16 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.78 1mug h TYR 156 CO 0.01 1.07 -0.14 -0.09 -0.00 0.00 0.00 178.16 179.01 1mug h ARG 157 N 0.34 0.08 -0.84 4.88 2.43 -0.86 -1.65 114.38 118.76 1mug h ARG 157 Ca -0.03 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1mug h ARG 157 Cb 1.32 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 1mug h ARG 157 CO 0.13 0.23 0.50 1.49 -1.51 0.00 0.00 179.97 180.80 1mug h GLU 158 N 0.08 1.15 -0.14 0.20 4.81 -1.30 -0.84 114.58 118.54 1mug h GLU 158 Ca 0.02 -0.11 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 1mug h GLU 158 Cb 0.30 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1mug h GLU 158 CO 0.02 0.81 -0.08 1.25 -0.73 0.00 0.00 179.01 180.29 1mug h LEU 159 N 1.16 0.31 -0.70 1.64 5.85 -1.38 -1.89 115.31 120.29 1mug h LEU 159 Ca 0.30 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1mug h LEU 159 Cb -0.03 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 1mug h LEU 159 CO -0.05 0.67 0.35 -0.78 -0.34 0.00 0.00 178.44 178.28 1mug h ASP 160 N -0.05 0.45 0.88 1.25 3.58 -1.12 -1.53 116.42 119.88 1mug h ASP 160 Ca 0.03 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 1mug h ASP 160 Cb 0.55 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 1mug h ASP 160 CO 0.02 0.26 -0.40 1.56 -2.88 0.00 0.00 179.24 177.80 1mug h GLN 161 N 0.59 0.00 0.00 0.28 4.20 -1.12 -3.10 115.11 115.96 1mug h GLN 161 Ca 0.35 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.94 1mug h GLN 161 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1mug h GLN 161 CO -0.27 0.40 -0.57 0.00 -0.67 0.00 0.00 178.83 177.72 1mug h ALA 162 N 1.60 1.04 -2.54 3.87 0.00 -0.44 -3.37 119.26 119.42 1mug h ALA 162 Ca -0.00 -0.52 -0.76 0.00 0.00 0.00 0.00 54.91 53.63 1mug h ALA 162 Cb 0.95 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.41 1mug h ALA 162 CO 0.05 0.71 0.36 -0.51 0.00 0.00 0.00 179.25 179.86 1mug s LEU 163 N -7.65 6.24 0.60 0.00 1.43 -0.95 -5.05 118.68 113.30 1mug s LEU 163 Ca -0.01 -2.61 -0.19 0.00 -1.03 0.00 0.00 54.13 50.29 1mug s LEU 163 Cb 0.13 -2.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1mug s LEU 163 CO 0.75 -0.68 1.25 1.33 0.23 0.00 0.00 176.35 179.23 1mug n VAL 164 N 4.29 4.33 -0.77 -1.59 0.24 -1.26 -4.96 118.33 118.61 1mug n VAL 164 Ca 0.18 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1mug n VAL 164 Cb 0.47 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 31.35 1mug n VAL 164 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21