#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s ALA 3 N 0.00 -1.78 0.17 -0.43 0.00 -1.26 -4.75 121.76 113.71 3mug s ALA 3 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.40 3mug s ALA 3 Cb 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 3mug s ALA 3 CO 0.00 -0.99 -0.02 -0.51 0.00 0.00 0.00 175.76 174.24 3mug s LEU 4 N -2.87 3.24 -0.25 0.00 1.43 -0.85 -4.94 118.68 114.44 3mug s LEU 4 Ca 0.12 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3mug s LEU 4 Cb -0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3mug s LEU 4 CO -0.00 0.10 0.13 0.28 0.23 0.00 0.00 176.35 177.08 3mug s THR 5 N -1.69 4.92 0.08 5.49 -1.32 0.01 -2.95 115.64 120.18 3mug s THR 5 Ca 0.27 0.03 0.07 0.00 -1.21 0.00 0.00 61.69 60.85 3mug s THR 5 Cb -0.09 -3.31 -0.03 0.00 -1.51 0.00 0.00 72.50 67.56 3mug s THR 5 CO 0.18 0.32 -0.18 -1.10 -2.21 0.00 0.00 174.62 171.62 3mug s GLN 6 N 1.43 1.04 0.42 7.08 -0.21 -1.26 -0.02 119.66 128.15 3mug s GLN 6 Ca 0.06 -1.05 -0.25 0.00 0.02 0.00 0.00 55.36 54.15 3mug s GLN 6 Cb -0.15 -1.19 -0.08 0.00 1.00 0.00 0.00 33.01 32.59 3mug s GLN 6 CO 0.06 0.28 1.25 -1.25 -2.12 0.00 0.00 175.29 173.51 3mug s PRO 7 N -1.73 3.91 0.37 2.91 0.04 -1.26 -4.82 135.00 134.42 3mug s PRO 7 Ca 0.04 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.21 3mug s PRO 7 Cb -0.10 -2.66 0.71 0.00 0.04 0.00 0.00 34.50 32.49 3mug s PRO 7 CO 0.03 -0.50 1.83 0.00 0.04 0.00 0.00 177.00 178.40 3mug h ALA 8 N 2.50 1.38 -3.36 8.56 0.00 -1.96 -3.36 119.26 123.03 3mug h ALA 8 Ca -0.49 -0.32 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 3mug h ALA 8 Cb 1.25 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 18.68 3mug h ALA 8 CO 0.62 0.45 -0.59 0.45 0.00 0.00 0.00 179.25 180.18 3mug s SER 9 N -6.92 -0.11 -0.03 0.00 0.15 -1.26 -1.37 113.70 104.15 3mug s SER 9 Ca -0.04 0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.89 3mug s SER 9 Cb 0.14 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.69 3mug s SER 9 CO 0.73 -0.09 -0.02 -0.69 1.20 0.00 0.00 173.24 174.37 3mug s VAL 11 N 0.60 0.30 0.09 4.45 1.01 -0.45 -4.93 120.40 121.46 3mug s VAL 11 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3mug s VAL 11 Cb -0.06 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3mug s VAL 11 CO -0.03 0.16 -0.01 -0.94 0.00 0.00 0.00 175.10 174.28 3mug s SER 12 N 0.85 0.60 0.11 3.32 1.04 -1.26 -2.09 113.70 116.27 3mug s SER 12 Ca -0.09 -1.06 -0.26 0.00 0.48 0.00 0.00 55.95 55.01 3mug s SER 12 Cb -0.13 0.20 0.07 0.00 0.10 0.00 0.00 66.02 66.27 3mug s SER 12 CO -0.01 -0.61 0.93 -0.83 0.98 0.00 0.00 173.24 173.70 3mug s GLY 13 N -2.99 -0.31 0.43 7.32 0.00 -0.98 -4.99 107.32 105.80 3mug s GLY 13 Ca 0.13 0.39 -0.10 0.00 0.00 0.00 0.00 44.72 45.14 3mug s GLY 13 CO -0.05 0.10 0.78 -0.56 0.00 0.00 0.00 173.10 173.37 3mug s SER 14 N -2.80 6.47 0.25 1.64 0.01 -1.26 -1.12 113.70 116.89 3mug s SER 14 Ca 0.10 1.12 -0.31 0.00 1.31 0.00 0.00 55.95 58.17 3mug s SER 14 Cb -0.01 -2.32 -0.13 0.00 0.21 0.00 0.00 66.02 63.76 3mug s SER 14 CO -0.01 -0.45 1.36 -2.65 0.41 0.00 0.00 173.24 171.90 3mug n PRO 15 N -1.50 1.96 0.00 12.44 -0.02 -1.26 -2.14 135.00 144.49 3mug n PRO 15 Ca 0.02 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3mug n PRO 15 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3mug n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 16 N 1.89 3.21 3.83 -1.23 0.00 0.07 -4.86 105.19 108.10 3mug n GLY 16 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3mug n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mug s GLN 17 N -0.70 3.87 -0.12 1.61 0.74 -0.91 -3.48 119.66 120.67 3mug s GLN 17 Ca 0.00 1.01 -0.12 0.00 0.05 0.00 0.00 55.36 56.30 3mug s GLN 17 Cb 0.00 -2.12 -0.05 0.00 1.10 0.00 0.00 33.01 31.94 3mug s GLN 17 CO 0.00 -0.34 0.27 0.99 -0.55 0.00 0.00 175.29 175.66 3mug s THR 18 N -2.56 5.30 0.09 -0.34 2.01 -1.26 -0.93 115.64 117.96 3mug s THR 18 Ca 0.60 0.51 0.05 0.00 0.31 0.00 0.00 61.69 63.16 3mug s THR 18 Cb -0.11 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 3mug s THR 18 CO 0.31 0.49 -0.14 0.27 -0.69 0.00 0.00 174.62 174.85 3mug s ILE 19 N -0.23 1.21 -0.02 1.82 -4.36 -0.29 -5.00 121.20 114.33 3mug s ILE 19 Ca 0.17 -1.51 0.05 0.00 -0.26 0.00 0.00 60.65 59.10 3mug s ILE 19 Cb -0.13 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.27 3mug s ILE 19 CO 0.06 -0.32 -0.17 -0.89 0.24 0.00 0.00 174.94 173.86 3mug s THR 20 N -1.71 1.34 -0.18 8.37 2.01 -1.26 -1.13 115.64 123.09 3mug s THR 20 Ca 0.03 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 3mug s THR 20 Cb -0.07 -1.13 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3mug s THR 20 CO 0.02 0.38 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.57 3mug s ILE 21 N -0.21 2.67 0.29 1.82 1.01 0.23 -4.97 121.20 122.05 3mug s ILE 21 Ca 0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3mug s ILE 21 Cb -0.08 -2.15 -0.05 0.00 0.01 0.00 0.00 42.46 40.19 3mug s ILE 21 CO 0.00 0.50 0.55 -0.94 0.00 0.00 0.00 174.94 175.06 3mug s SER 22 N 1.12 6.43 -0.27 3.58 1.04 -1.26 -0.84 113.70 123.50 3mug s SER 22 Ca 0.01 0.68 -0.02 0.00 0.48 0.00 0.00 55.95 57.10 3mug s SER 22 Cb -0.14 -2.13 0.12 0.00 0.10 0.00 0.00 66.02 63.96 3mug s SER 22 CO -0.05 -0.21 0.24 0.00 0.98 0.00 0.00 173.24 174.20 3mug s ASN 24 N 2.29 6.41 0.00 0.00 0.01 0.98 -1.06 114.94 123.57 3mug s ASN 24 Ca 0.09 0.48 0.00 0.00 -0.71 0.00 0.00 52.86 52.72 3mug s ASN 24 Cb -0.15 -2.24 0.00 0.00 0.41 0.00 0.00 41.25 39.27 3mug s ASN 24 CO -0.29 -0.13 0.00 0.61 -1.51 0.00 0.00 177.10 175.78 3mug n GLY 25 N 4.13 5.86 0.00 0.66 0.00 0.43 -0.81 105.19 115.46 3mug n GLY 25 Ca -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3mug n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 26 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -4.83 114.28 108.56 3mug n THR 26 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3mug n THR 26 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3mug n THR 26 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3mug n SER 27 N 0.00 0.00 0.00 3.42 3.41 -1.26 -0.15 113.62 119.04 3mug n SER 27 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3mug n SER 27 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3mug n SER 27 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mug n ASP 27 N 0.17 0.00 0.00 4.04 5.68 -1.26 -1.10 116.55 124.08 3mug n ASP 27 Ca 0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.20 3mug n ASP 27 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 3mug n ASP 27 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 3mug h VAL 27 N 0.00 0.64 0.00 2.12 2.07 -1.72 -2.30 116.25 117.06 3mug h VAL 27 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3mug h VAL 27 Cb 0.00 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3mug h VAL 27 CO 0.00 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.82 3mug h GLY 28 N -0.17 0.00 1.18 2.17 0.00 -0.66 -3.31 103.07 102.28 3mug h GLY 28 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.19 3mug h GLY 28 CO -0.22 0.00 -1.45 -1.33 0.00 0.00 0.00 176.54 173.54 3mug h GLY 29 N 3.54 0.00 -3.01 4.60 0.00 -1.52 -3.48 103.07 103.21 3mug h GLY 29 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3mug h GLY 29 CO 0.00 0.00 -0.66 -1.36 0.00 0.00 0.00 176.54 174.52 3mug s PHE 30 N -2.74 0.77 -0.85 5.60 0.08 -0.92 -4.96 117.98 114.96 3mug s PHE 30 Ca -0.03 -1.14 -0.02 0.00 0.12 0.00 0.00 56.93 55.86 3mug s PHE 30 Cb 0.08 -0.47 0.33 0.00 -0.57 0.00 0.00 43.02 42.39 3mug s PHE 30 CO 0.82 -0.42 2.05 -0.25 -0.10 0.00 0.00 175.22 177.31 3mug n ASP 31 N -0.03 7.46 -2.54 1.36 9.92 -1.26 -4.70 116.55 126.77 3mug n ASP 31 Ca -0.09 -3.78 -0.21 0.00 -0.53 0.00 0.00 54.79 50.18 3mug n ASP 31 Cb 0.63 -1.09 0.01 0.00 -0.64 0.00 0.00 41.12 40.02 3mug n ASP 31 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 3mug n SER 32 N -0.39 3.63 -4.67 -2.24 7.64 -1.26 -4.12 113.62 112.22 3mug n SER 32 Ca 0.53 -3.38 -0.37 0.00 1.01 0.00 0.00 58.87 56.66 3mug n SER 32 Cb 0.25 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 3mug n SER 32 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mug s VAL 33 N -4.74 5.30 0.10 0.44 1.01 -1.26 -3.27 120.40 117.98 3mug s VAL 33 Ca 0.41 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.87 3mug s VAL 33 Cb 0.42 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3mug s VAL 33 CO -0.11 0.31 -0.23 -0.94 0.00 0.00 0.00 175.10 174.13 3mug s SER 34 N 1.02 2.78 -0.02 3.32 1.04 -0.46 -1.50 113.70 119.88 3mug s SER 34 Ca 0.12 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 55.94 3mug s SER 34 Cb -0.14 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3mug s SER 34 CO 0.06 0.11 -0.25 0.26 0.98 0.00 0.00 173.24 174.40 3mug s TRP 35 N -1.10 2.38 -0.04 5.02 0.52 -0.18 -0.46 118.94 125.08 3mug s TRP 35 Ca 0.09 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.85 3mug s TRP 35 Cb -0.10 -1.51 -0.00 0.00 -1.15 0.00 0.00 33.47 30.71 3mug s TRP 35 CO 0.04 -0.00 -0.16 0.71 0.02 0.00 0.00 176.95 177.56 3mug s TYR 36 N -0.63 1.56 -0.12 -1.98 1.51 0.12 -0.92 117.35 116.88 3mug s TYR 36 Ca 0.10 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 3mug s TYR 36 Cb -0.10 -1.05 -0.03 0.00 -0.11 0.00 0.00 41.96 40.67 3mug s TYR 36 CO -0.01 -0.13 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.15 3mug s GLN 37 N -0.01 3.37 -0.23 -0.62 0.74 -0.20 -0.55 119.66 122.17 3mug s GLN 37 Ca -0.02 -0.46 -0.00 0.00 0.05 0.00 0.00 55.36 54.93 3mug s GLN 37 Cb -0.10 -2.88 0.06 0.00 1.10 0.00 0.00 33.01 31.19 3mug s GLN 37 CO 0.01 0.46 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.05 3mug s GLN 38 N -0.21 1.34 0.24 1.67 0.74 0.61 -1.26 119.66 122.78 3mug s GLN 38 Ca 0.05 -0.89 -0.14 0.00 0.05 0.00 0.00 55.36 54.43 3mug s GLN 38 Cb -0.13 -2.46 -0.08 0.00 1.10 0.00 0.00 33.01 31.44 3mug s GLN 38 CO 0.02 -0.64 0.63 -1.12 -0.55 0.00 0.00 175.29 173.63 3mug s SER 39 N 1.50 6.79 0.10 6.67 0.01 -1.26 -1.38 113.70 126.14 3mug s SER 39 Ca -0.03 1.15 -0.32 0.00 1.31 0.00 0.00 55.95 58.06 3mug s SER 39 Cb -0.18 -2.32 -0.11 0.00 0.21 0.00 0.00 66.02 63.62 3mug s SER 39 CO -0.08 -0.05 1.81 -0.81 0.41 0.00 0.00 173.24 174.52 3mug n PRO 40 N 0.16 2.63 -0.97 12.44 -0.04 -1.26 -1.11 135.00 146.86 3mug n PRO 40 Ca -0.00 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 3mug n PRO 40 Cb 0.52 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 3mug n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mug n GLY 41 N 4.14 0.52 3.56 0.55 0.00 -1.26 -5.02 105.19 107.68 3mug n GLY 41 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3mug n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mug s LYS 42 N -0.35 2.02 0.55 1.61 0.00 -0.26 -5.13 119.74 118.18 3mug s LYS 42 Ca 0.00 -1.27 -0.20 0.00 0.00 0.00 0.00 55.97 54.50 3mug s LYS 42 Cb 0.00 -2.15 -0.05 0.00 0.00 0.00 0.00 37.83 35.63 3mug s LYS 42 CO 0.00 0.44 1.20 0.00 0.00 0.00 0.00 175.35 176.99 3mug s ALA 43 N -1.66 2.68 0.75 0.59 0.00 -1.26 -4.44 121.76 118.43 3mug s ALA 43 Ca 0.24 1.00 -0.13 0.00 0.00 0.00 0.00 51.96 53.07 3mug s ALA 43 Cb -0.09 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.65 3mug s ALA 43 CO 0.15 -1.01 1.13 -2.14 0.00 0.00 0.00 175.76 173.88 3mug s PRO 44 N -3.16 2.20 -0.01 0.00 0.02 -1.26 -4.68 135.00 128.12 3mug s PRO 44 Ca 0.73 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.17 3mug s PRO 44 Cb -0.30 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.35 3mug s PRO 44 CO 0.34 -1.72 -0.01 -1.59 -0.33 0.00 0.00 177.00 173.69 3mug s LYS 45 N -4.41 0.11 0.18 5.54 -2.85 -0.39 -4.95 119.74 112.97 3mug s LYS 45 Ca 0.66 0.00 -0.31 0.00 -1.00 0.00 0.00 55.97 55.33 3mug s LYS 45 Cb -0.21 -0.16 -0.09 0.00 -2.06 0.00 0.00 37.83 35.30 3mug s LYS 45 CO 0.50 -0.02 1.44 0.14 0.10 0.00 0.00 175.35 177.51 3mug s VAL 46 N 0.25 2.91 -0.17 1.79 -7.23 -1.26 -1.03 120.40 115.66 3mug s VAL 46 Ca -0.02 0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 60.83 3mug s VAL 46 Cb -0.04 -3.44 -0.10 0.00 0.56 0.00 0.00 36.38 33.36 3mug s VAL 46 CO -0.01 0.08 -0.17 0.23 -0.31 0.00 0.00 175.10 174.93 3mug n MET 47 N 3.29 0.40 -3.89 4.82 0.00 -0.10 -4.82 117.12 116.82 3mug n MET 47 Ca 0.10 0.11 -0.11 0.00 0.00 0.00 0.00 57.70 57.80 3mug n MET 47 Cb 0.41 -1.27 -0.11 0.00 0.00 0.00 0.00 33.22 32.24 3mug n MET 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3mug s VAL 48 N -2.32 0.07 0.07 2.03 1.01 -1.22 -4.23 120.40 115.80 3mug s VAL 48 Ca -0.23 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3mug s VAL 48 Cb 0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3mug s VAL 48 CO 0.36 -0.31 0.09 0.72 0.00 0.00 0.00 175.10 175.96 3mug s PHE 49 N -1.03 0.30 -1.47 5.22 -0.12 0.31 -1.01 117.98 120.18 3mug s PHE 49 Ca -0.11 -0.77 -0.04 0.00 -0.05 0.00 0.00 56.93 55.95 3mug s PHE 49 Cb -0.06 -0.20 0.03 0.00 -0.63 0.00 0.00 43.02 42.16 3mug s PHE 49 CO 0.01 -0.46 0.52 -0.25 -0.05 0.00 0.00 175.22 174.98 3mug n ASP 50 N 0.08 -1.09 0.00 1.98 8.00 -0.87 -1.34 116.55 123.30 3mug n ASP 50 Ca -0.15 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3mug n ASP 50 Cb 0.62 -3.05 0.00 0.00 -0.02 0.00 0.00 41.12 38.67 3mug n ASP 50 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3mug n VAL 51 N -4.41 0.00 0.00 2.53 0.31 -0.56 -4.01 118.33 112.19 3mug n VAL 51 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3mug n VAL 51 Cb 0.64 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 3mug n VAL 51 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3mug n SER 52 N 2.93 1.49 -4.82 4.52 3.41 -1.23 -3.63 113.62 116.29 3mug n SER 52 Ca 0.00 -1.48 -0.38 0.00 -0.26 0.00 0.00 58.87 56.75 3mug n SER 52 Cb 0.00 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3mug n SER 52 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mug s HIS 53 N -0.48 3.75 -0.15 7.33 4.02 -0.45 -4.56 115.29 124.75 3mug s HIS 53 Ca 0.00 1.11 -0.06 0.00 1.02 0.00 0.00 55.06 57.13 3mug s HIS 53 Cb 0.00 -2.39 -0.04 0.00 -1.02 0.00 0.00 32.58 29.13 3mug s HIS 53 CO 0.00 0.60 0.06 1.03 1.02 0.00 0.00 174.74 177.45 3mug s ARG 54 N -1.01 3.67 0.97 1.40 0.52 -1.26 -0.53 118.95 122.71 3mug s ARG 54 Ca 0.26 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 55.03 3mug s ARG 54 Cb -0.18 -3.12 0.17 0.00 0.52 0.00 0.00 34.95 32.35 3mug s ARG 54 CO 0.16 0.46 1.09 -2.14 0.02 0.00 0.00 175.30 174.89 3mug s PRO 55 N -0.15 0.65 0.24 3.54 0.02 -1.26 -4.94 135.00 133.10 3mug s PRO 55 Ca 0.07 0.58 -0.30 0.00 0.02 0.00 0.00 61.00 61.37 3mug s PRO 55 Cb -0.12 -1.76 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 3mug s PRO 55 CO 0.01 -2.60 1.34 -1.12 -0.33 0.00 0.00 177.00 174.30 3mug s SER 56 N -3.47 6.81 0.00 2.53 0.01 -1.26 -2.78 113.70 115.54 3mug s SER 56 Ca 0.65 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.44 3mug s SER 56 Cb -0.18 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.43 3mug s SER 56 CO 0.57 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.26 3mug n GLY 57 N 1.98 1.08 3.69 3.44 0.00 -1.26 -5.05 105.19 109.08 3mug n GLY 57 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3mug n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mug s ILE 58 N -2.30 5.04 0.40 -0.61 1.09 -1.12 -5.03 121.20 118.67 3mug s ILE 58 Ca 0.00 1.33 -0.24 0.00 -1.10 0.00 0.00 60.65 60.63 3mug s ILE 58 Cb 0.00 -4.00 -0.11 0.00 -1.06 0.00 0.00 42.46 37.29 3mug s ILE 58 CO 0.00 0.19 0.93 -0.24 -0.10 0.00 0.00 174.94 175.72 3mug n SER 59 N 4.32 0.90 0.02 3.58 2.88 -1.26 -4.90 113.62 119.17 3mug n SER 59 Ca -0.01 1.03 0.06 0.00 -1.33 0.00 0.00 58.87 58.62 3mug n SER 59 Cb 0.51 -1.30 0.26 0.00 -0.75 0.00 0.00 64.21 62.92 3mug n SER 59 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3mug n ASN 60 N 0.73 0.08 0.25 -3.46 4.13 -1.26 -2.55 115.26 113.18 3mug n ASN 60 Ca 0.10 0.52 0.15 0.00 1.68 0.00 0.00 54.58 57.03 3mug n ASN 60 Cb 0.38 -0.54 0.53 0.00 -1.54 0.00 0.00 39.78 38.61 3mug n ASN 60 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3mug h ARG 61 N 0.00 0.00 -5.09 3.52 3.08 -1.90 -3.42 114.38 110.57 3mug h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3mug h ARG 61 Cb 0.19 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.09 3mug h ARG 61 CO 0.00 0.04 -0.31 -0.06 -1.07 0.00 0.00 179.97 178.57 3mug s PHE 62 N -3.55 3.24 0.02 3.04 0.08 -1.06 -0.91 117.98 118.84 3mug s PHE 62 Ca 0.02 0.34 0.02 0.00 0.12 0.00 0.00 56.93 57.43 3mug s PHE 62 Cb 0.08 -2.52 -0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3mug s PHE 62 CO 0.59 -0.21 -0.06 -1.54 -0.10 0.00 0.00 175.22 173.90 3mug s SER 63 N 1.66 0.66 0.07 1.36 1.04 -0.43 -4.97 113.70 113.10 3mug s SER 63 Ca 0.13 -0.30 0.07 0.00 0.48 0.00 0.00 55.95 56.32 3mug s SER 63 Cb -0.16 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.91 3mug s SER 63 CO 0.10 -0.07 -0.13 -0.83 0.98 0.00 0.00 173.24 173.29 3mug s GLY 64 N -0.81 1.70 0.09 7.32 0.00 -1.26 -0.22 107.32 114.15 3mug s GLY 64 Ca -0.04 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.37 3mug s GLY 64 CO 0.00 -1.15 0.20 -0.45 0.00 0.00 0.00 173.10 171.70 3mug s SER 65 N -1.84 0.10 -0.07 1.64 0.15 -0.14 -4.12 113.70 109.42 3mug s SER 65 Ca 0.18 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 3mug s SER 65 Cb -0.11 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.56 3mug s SER 65 CO 0.10 -0.72 0.20 -0.75 1.20 0.00 0.00 173.24 173.26 3mug s LYS 66 N -3.76 0.25 -0.22 5.44 2.20 -1.26 0.13 119.74 122.51 3mug s LYS 66 Ca 0.04 0.25 -0.03 0.00 -0.36 0.00 0.00 55.97 55.87 3mug s LYS 66 Cb 0.04 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.59 3mug s LYS 66 CO -0.11 -0.03 0.24 -1.54 -0.36 0.00 0.00 175.35 173.55 3mug s SER 67 N 0.03 1.38 1.75 1.43 1.04 0.47 -5.00 113.70 114.81 3mug s SER 67 Ca -0.01 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3mug s SER 67 Cb -0.02 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3mug s SER 67 CO 0.00 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3mug n GLY 68 N 5.32 3.77 0.95 7.32 0.00 -1.26 -1.71 105.19 119.59 3mug n GLY 68 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3mug n GLY 68 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mug n ASN 69 N 9.11 2.78 -4.29 1.61 3.02 -1.26 -3.88 115.26 122.35 3mug n ASN 69 Ca 0.00 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 3mug n ASN 69 Cb 0.00 -0.31 -0.16 0.00 -0.61 0.00 0.00 39.78 38.70 3mug n ASN 69 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mug s THR 70 N -1.37 2.52 0.07 3.41 2.01 -0.69 -0.43 115.64 121.15 3mug s THR 70 Ca 0.36 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.56 3mug s THR 70 Cb 0.19 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3mug s THR 70 CO 0.25 0.54 -0.10 0.00 -0.69 0.00 0.00 174.62 174.63 3mug s ALA 71 N 0.31 2.94 0.00 7.40 0.00 -0.22 -0.40 121.76 131.79 3mug s ALA 71 Ca -0.14 -1.17 0.02 0.00 0.00 0.00 0.00 51.96 50.67 3mug s ALA 71 Cb -0.17 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.99 3mug s ALA 71 CO 0.07 0.63 -0.08 -1.12 0.00 0.00 0.00 175.76 175.26 3mug s SER 72 N -1.88 0.91 -0.18 0.00 0.01 0.12 -0.29 113.70 112.40 3mug s SER 72 Ca 0.19 -0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.27 3mug s SER 72 Cb -0.11 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.04 3mug s SER 72 CO 0.11 0.07 -0.14 -0.22 0.41 0.00 0.00 173.24 173.46 3mug s LEU 73 N -0.33 2.46 -0.12 2.44 2.96 -0.02 -0.96 118.68 125.10 3mug s LEU 73 Ca 0.02 -0.50 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3mug s LEU 73 Cb -0.04 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 3mug s LEU 73 CO -0.00 0.04 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.11 3mug s THR 74 N 1.09 3.69 -0.26 3.68 2.01 0.70 -0.60 115.64 125.94 3mug s THR 74 Ca -0.00 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.56 3mug s THR 74 Cb -0.14 -2.57 0.05 0.00 0.01 0.00 0.00 72.50 69.84 3mug s THR 74 CO -0.04 0.53 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 3mug s ILE 75 N -0.01 2.51 0.21 1.82 1.01 -0.28 -1.31 121.20 125.16 3mug s ILE 75 Ca -0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 60.65 59.22 3mug s ILE 75 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 3mug s ILE 75 CO 0.03 0.03 0.41 -0.94 0.00 0.00 0.00 174.94 174.47 3mug s SER 76 N 1.20 6.39 -1.26 3.58 1.04 -0.09 -1.14 113.70 123.42 3mug s SER 76 Ca -0.05 0.44 -0.09 0.00 0.48 0.00 0.00 55.95 56.73 3mug s SER 76 Cb -0.19 -2.02 -0.01 0.00 0.10 0.00 0.00 66.02 63.90 3mug s SER 76 CO -0.04 -0.06 0.66 0.61 0.98 0.00 0.00 173.24 175.38 3mug n GLY 77 N -0.70 -0.58 3.56 7.32 0.00 -1.20 -4.80 105.19 108.80 3mug n GLY 77 Ca -0.04 0.28 -0.60 0.00 0.00 0.00 0.00 46.02 45.66 3mug n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mug n LEU 78 N -4.24 0.43 -4.35 0.99 0.00 -0.11 -4.40 117.00 105.32 3mug n LEU 78 Ca -0.21 1.16 -0.28 0.00 0.00 0.00 0.00 56.01 56.68 3mug n LEU 78 Cb 0.64 -0.94 -0.13 0.00 0.00 0.00 0.00 43.42 42.99 3mug n LEU 78 CO 0.70 -1.59 -0.55 -2.28 0.00 0.00 0.00 177.39 173.66 3mug s HIS 79 N 0.73 2.15 0.62 1.96 5.65 -1.26 -0.75 115.29 124.39 3mug s HIS 79 Ca 0.93 -0.39 0.34 0.00 0.25 0.00 0.00 55.06 56.19 3mug s HIS 79 Cb -1.29 -1.19 1.93 0.00 -1.18 0.00 0.00 32.58 30.85 3mug s HIS 79 CO 0.61 0.26 2.20 -0.84 -0.65 0.00 0.00 174.74 176.32 3mug h ILE 80 N 4.01 0.28 0.00 0.89 -0.00 -1.94 0.31 117.51 121.06 3mug h ILE 80 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.37 3mug h ILE 80 Cb 1.17 0.90 0.00 0.00 -0.00 0.00 0.00 36.82 38.89 3mug h ILE 80 CO 0.40 0.00 0.00 -1.84 -0.00 0.00 0.00 178.15 176.71 3mug n GLU 81 N -3.47 0.59 0.03 0.16 0.28 -1.26 -2.94 120.64 114.02 3mug n GLU 81 Ca -0.01 0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 3mug n GLU 81 Cb 0.20 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 31.77 3mug n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3mug n ASP 82 N -1.17 0.58 -4.70 -1.84 8.00 0.10 -4.93 116.55 112.58 3mug n ASP 82 Ca 0.16 -0.08 -0.43 0.00 0.71 0.00 0.00 54.79 55.15 3mug n ASP 82 Cb 0.17 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 3mug n ASP 82 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mug n GLU 83 N -1.78 2.49 -3.33 -1.24 1.02 -1.15 -4.88 120.64 111.77 3mug n GLU 83 Ca 0.04 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 3mug n GLU 83 Cb 0.39 -2.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 3mug n GLU 83 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mug n GLY 84 N 3.25 -0.98 3.74 0.62 0.00 -1.07 -4.73 105.19 106.02 3mug n GLY 84 Ca 0.14 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 3mug n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mug s ASP 85 N -4.00 6.05 -0.17 1.61 -0.00 -0.48 -0.25 116.67 119.44 3mug s ASP 85 Ca 0.00 0.24 -0.02 0.00 -0.00 0.00 0.00 52.55 52.77 3mug s ASP 85 Cb 0.00 -2.02 -0.01 0.00 -0.00 0.00 0.00 42.92 40.89 3mug s ASP 85 CO 0.00 0.24 -0.10 -0.31 -0.00 0.00 0.00 175.17 175.00 3mug s TYR 86 N -0.01 2.88 -0.12 4.23 2.02 0.00 -0.29 117.35 126.07 3mug s TYR 86 Ca 0.09 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.03 3mug s TYR 86 Cb -0.12 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 3mug s TYR 86 CO 0.00 -0.36 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.34 3mug s PHE 87 N 0.81 2.58 0.17 2.71 0.08 0.29 -1.39 117.98 123.22 3mug s PHE 87 Ca -0.03 -1.19 -0.13 0.00 0.12 0.00 0.00 56.93 55.69 3mug s PHE 87 Cb -0.15 -1.74 -0.07 0.00 -0.57 0.00 0.00 43.02 40.49 3mug s PHE 87 CO 0.01 -0.52 0.56 0.00 -0.10 0.00 0.00 175.22 175.17 3mug s SER 89 N -1.86 0.84 0.03 0.00 0.15 0.39 -0.13 113.70 113.12 3mug s SER 89 Ca 0.40 -0.61 -0.04 0.00 0.70 0.00 0.00 55.95 56.40 3mug s SER 89 Cb -0.14 0.05 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 3mug s SER 89 CO 0.20 -0.25 0.06 -0.55 1.20 0.00 0.00 173.24 173.90 3mug s SER 90 N -1.77 0.22 0.32 5.45 0.15 -0.28 -1.35 113.70 116.44 3mug s SER 90 Ca -0.07 -0.56 -0.25 0.00 0.70 0.00 0.00 55.95 55.77 3mug s SER 90 Cb -0.08 0.20 -0.10 0.00 -1.71 0.00 0.00 66.02 64.33 3mug s SER 90 CO -0.01 -0.47 0.92 -0.22 1.20 0.00 0.00 173.24 174.66 3mug s LEU 91 N -2.05 4.30 0.21 3.45 2.96 -1.20 -1.10 118.68 125.24 3mug s LEU 91 Ca -0.06 1.77 0.06 0.00 -0.22 0.00 0.00 54.13 55.68 3mug s LEU 91 Cb -0.02 -4.02 -0.04 0.00 0.50 0.00 0.00 46.19 42.61 3mug s LEU 91 CO -0.04 -0.09 0.15 -0.89 -1.32 0.00 0.00 176.35 174.17 3mug s THR 92 N -1.67 4.40 -1.38 3.68 2.01 -0.18 -4.38 115.64 118.13 3mug s THR 92 Ca 0.51 -1.27 0.10 0.00 0.31 0.00 0.00 61.69 61.33 3mug s THR 92 Cb -0.17 -3.31 0.16 0.00 0.01 0.00 0.00 72.50 69.18 3mug s THR 92 CO 0.22 -0.23 1.21 -0.90 -0.69 0.00 0.00 174.62 174.24 3mug n ASP 93 N -0.74 0.00 -0.97 3.53 5.75 -0.26 -1.41 116.55 122.44 3mug n ASP 93 Ca -0.08 0.19 0.10 0.00 -0.01 0.00 0.00 54.79 54.99 3mug n ASP 93 Cb 0.56 -0.31 0.17 0.00 -1.03 0.00 0.00 41.12 40.51 3mug n ASP 93 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3mug n ARG 94 N -1.31 2.23 -1.37 0.11 1.74 -1.26 -4.96 116.66 111.83 3mug n ARG 94 Ca 0.04 -2.05 -0.09 0.00 -0.77 0.00 0.00 57.85 54.99 3mug n ARG 94 Cb 0.08 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 3mug n ARG 94 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3mug n SER 95 N 1.25 -3.89 -4.83 0.55 7.64 -0.50 -5.05 113.62 108.79 3mug n SER 95 Ca 0.16 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 3mug n SER 95 Cb 0.54 -2.28 0.07 0.00 -1.01 0.00 0.00 64.21 61.53 3mug n SER 95 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3mug s HIS 95 N -2.33 2.50 -0.03 1.43 3.76 -1.26 -4.83 115.29 114.53 3mug s HIS 95 Ca 0.00 0.11 0.06 0.00 -0.15 0.00 0.00 55.06 55.08 3mug s HIS 95 Cb 0.00 -3.06 -0.01 0.00 1.11 0.00 0.00 32.58 30.61 3mug s HIS 95 CO 0.00 -1.39 -0.20 1.03 -0.85 0.00 0.00 174.74 173.33 3mug s ARG 96 N -5.11 1.76 -0.05 1.40 1.81 -1.26 -1.01 118.95 116.49 3mug s ARG 96 Ca 0.62 -0.71 0.03 0.00 -1.72 0.00 0.00 55.73 53.95 3mug s ARG 96 Cb -0.09 -1.63 0.00 0.00 -0.45 0.00 0.00 34.95 32.79 3mug s ARG 96 CO 0.43 0.38 -0.14 0.42 -0.68 0.00 0.00 175.30 175.71 3mug s ILE 97 N -0.32 1.23 0.20 1.52 -1.09 -0.26 -4.97 121.20 117.51 3mug s ILE 97 Ca 0.04 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 57.95 3mug s ILE 97 Cb -0.09 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 3mug s ILE 97 CO 0.00 0.37 0.06 -0.36 -1.23 0.00 0.00 174.94 173.78 3mug s PHE 98 N 0.27 2.94 0.77 3.97 0.08 -1.26 -1.12 117.98 123.64 3mug s PHE 98 Ca -0.07 -0.11 -0.09 0.00 0.12 0.00 0.00 56.93 56.77 3mug s PHE 98 Cb -0.12 -1.39 0.09 0.00 -0.57 0.00 0.00 43.02 41.03 3mug s PHE 98 CO 0.03 0.53 1.11 0.20 -0.10 0.00 0.00 175.22 176.98 3mug s GLY 99 N -3.22 1.69 0.52 4.36 0.00 0.81 -2.01 107.32 109.47 3mug s GLY 99 Ca 0.30 -0.98 0.31 0.00 0.00 0.00 0.00 44.72 44.35 3mug s GLY 99 CO 0.21 -0.47 1.96 -1.33 0.00 0.00 0.00 173.10 173.47 3mug h GLY 100 N -0.88 0.00 0.00 0.20 0.00 -1.85 -3.45 103.07 97.09 3mug h GLY 100 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3mug h GLY 100 CO 0.56 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.71 3mug n GLY 101 N -0.05 2.37 2.97 4.60 0.00 -1.26 -5.06 105.19 108.76 3mug n GLY 101 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 3mug n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mug s THR 102 N -1.89 1.09 -0.13 2.61 2.01 -0.49 -4.39 115.64 114.46 3mug s THR 102 Ca 0.00 -0.39 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 3mug s THR 102 Cb 0.00 -1.05 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 3mug s THR 102 CO 0.00 0.36 0.92 -0.75 -0.69 0.00 0.00 174.62 174.47 3mug s LYS 103 N 1.17 4.37 -0.28 4.92 2.20 -0.47 -0.81 119.74 130.84 3mug s LYS 103 Ca -0.05 1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.69 3mug s LYS 103 Cb -0.14 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3mug s LYS 103 CO -0.02 -0.30 0.14 0.08 -0.36 0.00 0.00 175.35 174.88 3mug s VAL 104 N 2.02 4.73 -0.12 4.02 1.01 0.66 -1.33 120.40 131.38 3mug s VAL 104 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3mug s VAL 104 Cb -0.17 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3mug s VAL 104 CO 0.16 0.21 -0.10 -0.89 0.00 0.00 0.00 175.10 174.48 3mug s THR 105 N 1.66 3.36 -0.55 3.92 2.01 -0.89 -2.60 115.64 122.55 3mug s THR 105 Ca 0.06 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 3mug s THR 105 Cb -0.16 -2.42 0.14 0.00 0.01 0.00 0.00 72.50 70.07 3mug s THR 105 CO 0.07 0.53 0.46 -0.69 -0.69 0.00 0.00 174.62 174.30 3mug s VAL 106 N 0.07 4.67 -0.37 3.82 1.01 -1.26 -2.33 120.40 126.02 3mug s VAL 106 Ca -0.04 -1.88 -0.39 0.00 0.00 0.00 0.00 61.98 59.67 3mug s VAL 106 Cb -0.14 -4.02 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 3mug s VAL 106 CO 0.04 -0.85 2.04 0.18 0.00 0.00 0.00 175.10 176.51 3mug n LEU 106 N 4.78 1.86 -0.37 3.92 4.77 -0.28 -4.87 117.00 126.80 3mug n LEU 106 Ca -0.06 0.69 0.05 0.00 -0.03 0.00 0.00 56.01 56.66 3mug n LEU 106 Cb 0.41 -1.13 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 3mug n LEU 106 CO 0.44 -0.65 0.40 0.61 -1.33 0.00 0.00 177.39 176.85 3mug n GLY 107 N 6.04 -0.52 3.73 -0.72 0.00 -1.26 -4.59 105.19 107.87 3mug n GLY 107 Ca 0.40 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3mug n GLY 107 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mug s GLN 108 N -0.79 1.63 0.47 1.61 -2.07 -1.26 -5.16 119.66 114.09 3mug s GLN 108 Ca 0.11 -0.83 -0.23 0.00 -1.82 0.00 0.00 55.36 52.59 3mug s GLN 108 Cb 0.08 0.60 -0.07 0.00 -1.09 0.00 0.00 33.01 32.53 3mug s GLN 108 CO 0.12 -0.74 1.20 -1.25 -1.32 0.00 0.00 175.29 173.30 3mug s PRO 109 N -3.85 3.68 0.46 9.60 0.04 -1.26 -4.98 135.00 138.68 3mug s PRO 109 Ca 0.08 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 3mug s PRO 109 Cb -0.04 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3mug s PRO 109 CO 0.01 -0.64 1.27 0.15 0.04 0.00 0.00 177.00 177.83 3mug s LYS 110 N -2.70 3.67 -0.02 4.56 1.02 -1.26 -4.86 119.74 120.15 3mug s LYS 110 Ca 0.64 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.69 3mug s LYS 110 Cb -0.31 -2.50 0.02 0.00 -0.52 0.00 0.00 37.83 34.52 3mug s LYS 110 CO 0.37 -0.71 0.00 0.00 -0.92 0.00 0.00 175.35 174.10 3mug s ALA 111 N -1.37 0.19 0.59 5.17 0.00 -0.58 -4.92 121.76 120.84 3mug s ALA 111 Ca 0.63 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 3mug s ALA 111 Cb -0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3mug s ALA 111 CO 0.44 -0.05 1.07 0.00 0.00 0.00 0.00 175.76 177.22 3mug s ALA 112 N 0.70 2.70 0.55 0.00 0.00 -1.26 -1.10 121.76 123.35 3mug s ALA 112 Ca -0.06 0.49 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 3mug s ALA 112 Cb -0.09 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 3mug s ALA 112 CO -0.02 -0.84 1.05 -1.25 0.00 0.00 0.00 175.76 174.71 3mug s PRO 113 N -3.91 3.53 -0.25 0.00 0.04 -1.26 -4.51 135.00 128.64 3mug s PRO 113 Ca 0.66 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 3mug s PRO 113 Cb -0.18 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 3mug s PRO 113 CO 0.35 -0.65 0.32 -1.12 0.04 0.00 0.00 177.00 175.94 3mug s SER 114 N -2.48 6.26 -0.20 6.66 0.01 -0.04 -4.90 113.70 119.01 3mug s SER 114 Ca 0.65 0.29 -0.04 0.00 1.31 0.00 0.00 55.95 58.16 3mug s SER 114 Cb -0.16 -2.19 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 3mug s SER 114 CO 0.30 -0.09 -0.03 -0.69 0.41 0.00 0.00 173.24 173.14 3mug s VAL 115 N 1.64 3.66 -0.18 3.43 1.01 -1.26 -0.92 120.40 127.79 3mug s VAL 115 Ca 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3mug s VAL 115 Cb -0.15 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3mug s VAL 115 CO 0.08 0.44 -0.16 -0.89 0.00 0.00 0.00 175.10 174.57 3mug s THR 116 N 1.06 1.83 -0.23 3.92 2.01 0.18 -4.97 115.64 119.45 3mug s THR 116 Ca 0.01 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 3mug s THR 116 Cb -0.15 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3mug s THR 116 CO 0.01 0.43 0.00 -0.22 -0.69 0.00 0.00 174.62 174.15 3mug s LEU 117 N 1.37 3.15 -0.19 4.42 2.96 -1.26 0.09 118.68 129.21 3mug s LEU 117 Ca 0.03 -0.29 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3mug s LEU 117 Cb -0.14 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3mug s LEU 117 CO -0.11 -0.01 0.07 -0.36 -1.32 0.00 0.00 176.35 174.62 3mug s PHE 118 N 1.42 3.23 0.85 5.38 0.40 0.80 -4.98 117.98 125.08 3mug s PHE 118 Ca 0.05 0.03 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 3mug s PHE 118 Cb -0.15 -2.11 0.10 0.00 0.51 0.00 0.00 43.02 41.37 3mug s PHE 118 CO 0.00 0.09 1.14 -1.25 0.70 0.00 0.00 175.22 175.90 3mug s PRO 119 N 0.56 1.68 0.38 0.24 0.04 -1.26 -1.62 135.00 135.01 3mug s PRO 119 Ca 0.04 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.11 3mug s PRO 119 Cb -0.13 -1.90 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3mug s PRO 119 CO 0.01 -1.83 1.50 -2.14 0.04 0.00 0.00 177.00 174.58 3mug s PRO 120 N -5.35 4.09 0.64 0.56 0.02 -1.20 -4.82 135.00 128.95 3mug s PRO 120 Ca 0.62 2.60 -0.14 0.00 0.02 0.00 0.00 61.00 64.10 3mug s PRO 120 Cb -0.13 -2.96 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 3mug s PRO 120 CO 0.52 -0.56 1.07 -1.54 -0.33 0.00 0.00 177.00 176.17 3mug s SER 121 N -0.11 5.44 0.48 2.53 1.04 -1.26 -4.91 113.70 116.91 3mug s SER 121 Ca 0.53 1.83 0.18 0.00 0.48 0.00 0.00 55.95 58.98 3mug s SER 121 Cb -0.47 -2.53 1.16 0.00 0.10 0.00 0.00 66.02 64.28 3mug s SER 121 CO 0.63 -1.40 2.03 0.77 0.98 0.00 0.00 173.24 176.25 3mug h SER 122 N 0.02 0.00 -0.37 7.02 4.64 -1.99 -1.84 113.55 121.03 3mug h SER 122 Ca -0.46 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 3mug h SER 122 Cb 1.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3mug h SER 122 CO 0.56 0.15 0.15 -0.33 -0.87 0.00 0.00 176.83 176.49 3mug h GLU 123 N 0.00 0.55 -0.32 4.77 5.08 -1.99 -1.93 114.58 120.74 3mug h GLU 123 Ca -0.00 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3mug h GLU 123 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3mug h GLU 123 CO 0.02 0.53 -0.14 1.49 -1.00 0.00 0.00 179.01 179.90 3mug h GLU 124 N 0.45 0.67 -0.85 2.33 4.81 -1.72 -2.83 114.58 117.43 3mug h GLU 124 Ca 0.12 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3mug h GLU 124 Cb 0.18 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 3mug h GLU 124 CO -0.01 0.87 0.56 -0.07 -0.73 0.00 0.00 179.01 179.63 3mug h LEU 125 N 0.44 0.94 -1.19 1.64 3.38 -1.19 -0.38 115.31 118.95 3mug h LEU 125 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3mug h LEU 125 Cb 0.67 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mug h LEU 125 CO 0.04 0.67 0.00 1.56 0.09 0.00 0.00 178.44 180.80 3mug h GLN 126 N 1.11 0.00 -0.54 1.13 4.20 -1.26 -2.06 115.11 117.69 3mug h GLN 126 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3mug h GLN 126 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3mug h GLN 126 CO -0.08 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.08 3mug n ALA 127 N -2.00 2.52 -3.36 3.87 0.00 -0.19 -4.93 120.51 116.41 3mug n ALA 127 Ca 0.01 -0.94 -0.23 0.00 0.00 0.00 0.00 53.44 52.28 3mug n ALA 127 Cb 0.29 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.83 3mug n ALA 127 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3mug n ASN 128 N 0.95 -6.19 -4.11 0.00 2.85 -0.77 -5.02 115.26 102.97 3mug n ASN 128 Ca 0.17 -0.44 -0.09 0.00 -0.11 0.00 0.00 54.58 54.12 3mug n ASN 128 Cb 0.48 -4.88 -0.10 0.00 1.24 0.00 0.00 39.78 36.51 3mug n ASN 128 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3mug s LYS 129 N -6.06 0.67 -0.17 1.20 1.02 -0.96 -4.65 119.74 110.79 3mug s LYS 129 Ca 0.47 -1.18 -0.08 0.00 0.02 0.00 0.00 55.97 55.20 3mug s LYS 129 Cb -0.21 -0.02 0.07 0.00 -0.52 0.00 0.00 37.83 37.15 3mug s LYS 129 CO 0.58 -0.05 0.40 0.00 -0.92 0.00 0.00 175.35 175.36 3mug s ALA 130 N -3.38 -1.03 -0.05 5.17 0.00 -1.07 -2.83 121.76 118.57 3mug s ALA 130 Ca 0.06 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 3mug s ALA 130 Cb 0.04 -1.00 0.03 0.00 0.00 0.00 0.00 23.12 22.18 3mug s ALA 130 CO -0.06 -0.38 0.01 0.99 0.00 0.00 0.00 175.76 176.32 3mug s THR 131 N 1.69 0.21 -0.16 0.00 2.01 -1.26 -1.05 115.64 117.08 3mug s THR 131 Ca -0.07 0.14 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 3mug s THR 131 Cb -0.09 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3mug s THR 131 CO -0.12 0.19 0.37 -0.76 -0.69 0.00 0.00 174.62 173.61 3mug s LEU 132 N 1.51 4.22 -0.23 4.42 1.43 -0.49 -3.25 118.68 126.29 3mug s LEU 132 Ca -0.03 0.58 -0.02 0.00 -1.03 0.00 0.00 54.13 53.64 3mug s LEU 132 Cb -0.13 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.61 3mug s LEU 132 CO -0.03 0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.80 3mug s VAL 133 N 0.79 2.86 -0.31 -1.59 1.01 -0.64 -1.72 120.40 120.81 3mug s VAL 133 Ca 0.20 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3mug s VAL 133 Cb -0.14 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3mug s VAL 133 CO 0.07 0.32 0.10 0.00 0.00 0.00 0.00 175.10 175.60 3mug s LEU 135 N 1.51 3.54 -0.27 0.00 1.43 0.11 -1.05 118.68 123.96 3mug s LEU 135 Ca 0.02 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3mug s LEU 135 Cb -0.17 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3mug s LEU 135 CO 0.03 0.07 -0.00 -0.63 0.23 0.00 0.00 176.35 176.05 3mug s ILE 136 N 1.01 3.31 0.22 -0.59 1.01 -0.26 -0.64 121.20 125.26 3mug s ILE 136 Ca 0.03 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.79 3mug s ILE 136 Cb -0.14 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 3mug s ILE 136 CO 0.03 0.14 0.07 -0.94 0.00 0.00 0.00 174.94 174.24 3mug s SER 137 N 1.39 1.02 -1.44 3.58 1.04 -0.09 -0.21 113.70 118.98 3mug s SER 137 Ca 0.01 -1.31 -0.11 0.00 0.48 0.00 0.00 55.95 55.02 3mug s SER 137 Cb -0.17 0.18 0.05 0.00 0.10 0.00 0.00 66.02 66.18 3mug s SER 137 CO -0.02 -0.70 1.07 0.47 0.98 0.00 0.00 173.24 175.05 3mug n ASP 138 N -0.36 -5.33 -4.62 7.02 8.00 -0.14 -0.86 116.55 120.26 3mug n ASP 138 Ca -0.02 -0.67 -0.29 0.00 0.71 0.00 0.00 54.79 54.52 3mug n ASP 138 Cb 0.65 -4.44 -0.09 0.00 -0.02 0.00 0.00 41.12 37.22 3mug n ASP 138 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3mug s PHE 139 N -3.32 2.79 -0.21 1.24 -0.12 -0.64 -4.57 117.98 113.14 3mug s PHE 139 Ca 0.59 -0.14 -0.10 0.00 -0.05 0.00 0.00 56.93 57.23 3mug s PHE 139 Cb -0.28 -1.42 0.08 0.00 -0.63 0.00 0.00 43.02 40.77 3mug s PHE 139 CO 0.78 0.47 0.50 -0.47 -0.05 0.00 0.00 175.22 176.44 3mug s TYR 140 N -1.40 -0.82 0.88 3.49 5.04 -0.26 -0.68 117.35 123.61 3mug s TYR 140 Ca 0.24 1.63 -0.11 0.00 -2.44 0.00 0.00 57.07 56.39 3mug s TYR 140 Cb -0.11 0.41 0.12 0.00 0.35 0.00 0.00 41.96 42.73 3mug s TYR 140 CO 0.16 -0.45 1.10 -2.14 -1.34 0.00 0.00 175.55 172.88 3mug s PRO 141 N 1.86 1.36 -1.61 4.97 0.02 -1.26 -1.53 135.00 138.81 3mug s PRO 141 Ca -0.08 1.15 -0.10 0.00 0.02 0.00 0.00 61.00 62.00 3mug s PRO 141 Cb -0.09 -1.80 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 3mug s PRO 141 CO -0.15 -2.27 2.93 0.41 -0.33 0.00 0.00 177.00 177.60 3mug n GLY 142 N -0.62 4.22 3.15 0.52 0.00 -1.26 -4.79 105.19 106.42 3mug n GLY 142 Ca 0.09 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 3mug n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s ALA 143 N 2.22 -0.81 0.06 4.61 0.00 -1.26 -4.70 121.76 121.89 3mug s ALA 143 Ca 0.69 1.25 -0.06 0.00 0.00 0.00 0.00 51.96 53.83 3mug s ALA 143 Cb 0.18 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 3mug s ALA 143 CO -0.06 -0.35 0.12 0.14 0.00 0.00 0.00 175.76 175.61 3mug s VAL 144 N 1.64 0.15 -0.14 0.00 -7.23 -1.26 -4.69 120.40 108.87 3mug s VAL 144 Ca -0.07 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 3mug s VAL 144 Cb -0.10 -1.20 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 3mug s VAL 144 CO -0.11 -0.69 -0.12 -0.89 -0.31 0.00 0.00 175.10 172.98 3mug s THR 145 N -3.37 3.08 -0.18 5.32 2.01 -0.43 -4.97 115.64 117.11 3mug s THR 145 Ca 0.01 -0.64 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 3mug s THR 145 Cb 0.03 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.23 3mug s THR 145 CO -0.08 0.52 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.58 3mug s VAL 146 N 0.45 3.11 -0.01 3.82 1.01 -1.26 -0.80 120.40 126.72 3mug s VAL 146 Ca -0.09 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.33 3mug s VAL 146 Cb -0.16 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3mug s VAL 146 CO 0.05 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.46 3mug s ALA 147 N 1.00 1.34 0.07 5.51 0.00 0.00 -4.98 121.76 124.70 3mug s ALA 147 Ca -0.01 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.30 3mug s ALA 147 Cb -0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3mug s ALA 147 CO -0.01 0.32 -0.09 -1.58 0.00 0.00 0.00 175.76 174.41 3mug s TRP 148 N -0.42 2.78 -0.01 0.00 0.52 -1.26 0.01 118.94 120.56 3mug s TRP 148 Ca 0.06 -0.12 0.02 0.00 0.02 0.00 0.00 56.10 56.07 3mug s TRP 148 Cb -0.06 -1.49 0.00 0.00 -1.15 0.00 0.00 33.47 30.77 3mug s TRP 148 CO -0.00 0.40 -0.05 0.15 0.02 0.00 0.00 176.95 177.46 3mug s LYS 149 N -1.94 0.54 -0.33 4.98 1.02 -0.51 -1.34 119.74 122.16 3mug s LYS 149 Ca 0.20 -0.18 -0.09 0.00 0.02 0.00 0.00 55.97 55.92 3mug s LYS 149 Cb -0.11 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.67 3mug s LYS 149 CO 0.12 0.08 0.15 0.00 -0.92 0.00 0.00 175.35 174.77 3mug s ALA 150 N 0.13 3.19 0.00 5.17 0.00 0.14 -0.56 121.76 129.83 3mug s ALA 150 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.38 3mug s ALA 150 Cb -0.05 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.69 3mug s ALA 150 CO -0.00 -1.14 0.00 -0.25 0.00 0.00 0.00 175.76 174.37 3mug n ASP 151 N 4.93 0.00 -0.00 0.00 8.00 0.48 -2.14 116.55 127.82 3mug n ASP 151 Ca -0.13 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.42 3mug n ASP 151 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.50 3mug n ASP 151 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mug n SER 152 N 11.42 2.19 -4.74 -2.24 7.64 -1.26 -4.72 113.62 121.91 3mug n SER 152 Ca 0.00 -0.18 -0.40 0.00 1.01 0.00 0.00 58.87 59.29 3mug n SER 152 Cb 0.00 1.33 -0.05 0.00 -1.01 0.00 0.00 64.21 64.47 3mug n SER 152 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mug s SER 153 N -2.80 7.58 0.51 6.43 1.04 -0.91 -4.98 113.70 120.57 3mug s SER 153 Ca -0.02 1.88 -0.19 0.00 0.48 0.00 0.00 55.95 58.10 3mug s SER 153 Cb 0.06 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.51 3mug s SER 153 CO 0.40 0.08 1.03 -2.16 0.98 0.00 0.00 173.24 173.57 3mug s PRO 154 N -0.76 3.73 -0.17 4.02 0.04 -1.26 -0.69 135.00 139.91 3mug s PRO 154 Ca 0.43 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.74 3mug s PRO 154 Cb -0.25 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.24 3mug s PRO 154 CO 0.31 -0.48 -0.08 0.14 0.04 0.00 0.00 177.00 176.93 3mug s VAL 155 N -2.16 1.29 -0.10 -0.36 -7.23 -0.45 -4.80 120.40 106.60 3mug s VAL 155 Ca 0.65 -0.72 0.20 0.00 -1.81 0.00 0.00 61.98 60.31 3mug s VAL 155 Cb -0.15 -1.41 -0.30 0.00 0.56 0.00 0.00 36.38 35.08 3mug s VAL 155 CO 0.24 0.18 0.31 0.29 -0.31 0.00 0.00 175.10 175.82 3mug n LYS 156 N 4.82 0.67 -2.72 4.82 5.02 -1.26 -4.40 118.16 125.12 3mug n LYS 156 Ca -0.13 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.65 3mug n LYS 156 Cb 0.48 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3mug n LYS 156 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mug s ALA 157 N -3.09 3.28 -0.25 7.82 0.00 -1.26 -3.74 121.76 124.53 3mug s ALA 157 Ca -0.09 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3mug s ALA 157 Cb 0.11 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3mug s ALA 157 CO 0.88 0.13 0.00 0.41 0.00 0.00 0.00 175.76 177.17 3mug n GLY 158 N 1.03 0.57 3.76 0.00 0.00 -1.26 -4.87 105.19 104.42 3mug n GLY 158 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.20 3mug n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 159 N -1.99 5.38 -0.05 1.61 1.01 -1.25 -1.38 120.40 123.74 3mug s VAL 159 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 3mug s VAL 159 Cb 0.00 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3mug s VAL 159 CO 0.00 0.46 0.04 -1.61 0.00 0.00 0.00 175.10 173.98 3mug s GLU 160 N 0.12 0.17 -0.02 2.72 0.41 -0.57 -4.99 118.70 116.53 3mug s GLU 160 Ca 0.12 0.26 0.08 0.00 -0.41 0.00 0.00 54.97 55.02 3mug s GLU 160 Cb -0.12 -0.63 -0.02 0.00 -1.78 0.00 0.00 34.13 31.58 3mug s GLU 160 CO 0.01 -0.29 -0.25 0.99 -0.49 0.00 0.00 175.26 175.23 3mug s THR 161 N 1.94 1.97 0.52 3.63 2.01 -1.26 -0.15 115.64 124.31 3mug s THR 161 Ca 0.03 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 3mug s THR 161 Cb -0.12 -1.63 -0.02 0.00 0.01 0.00 0.00 72.50 70.73 3mug s THR 161 CO -0.04 0.56 0.83 0.42 -0.69 0.00 0.00 174.62 175.70 3mug s THR 162 N -0.59 4.46 0.07 -0.82 -4.23 0.11 -5.00 115.64 109.64 3mug s THR 162 Ca 0.10 0.14 -0.27 0.00 -1.18 0.00 0.00 61.69 60.48 3mug s THR 162 Cb -0.10 -3.72 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 3mug s THR 162 CO -0.01 -0.72 0.84 -0.89 -0.54 0.00 0.00 174.62 173.30 3mug s THR 163 N -2.84 4.63 0.28 3.99 2.01 -1.26 -4.57 115.64 117.88 3mug s THR 163 Ca 0.50 1.79 -0.30 0.00 0.31 0.00 0.00 61.69 64.00 3mug s THR 163 Cb -0.10 -4.19 -0.13 0.00 0.01 0.00 0.00 72.50 68.08 3mug s THR 163 CO 0.45 0.35 1.25 -2.65 -0.69 0.00 0.00 174.62 173.33 3mug n PRO 164 N 2.76 1.81 -4.19 4.92 -0.02 -1.26 -4.86 135.00 134.16 3mug n PRO 164 Ca -0.01 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.93 3mug n PRO 164 Cb 0.50 -2.19 -0.12 0.00 -0.02 0.00 0.00 33.50 31.68 3mug n PRO 164 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mug s SER 165 N -0.14 1.75 0.41 2.55 1.04 -0.62 -4.92 113.70 113.77 3mug s SER 165 Ca 0.62 -0.67 -0.26 0.00 0.48 0.00 0.00 55.95 56.12 3mug s SER 165 Cb -0.66 -0.05 -0.09 0.00 0.10 0.00 0.00 66.02 65.32 3mug s SER 165 CO 0.56 -0.10 1.33 -0.75 0.98 0.00 0.00 173.24 175.26 3mug s LYS 166 N -1.99 3.93 -0.52 4.02 2.20 -1.26 -1.77 119.74 124.35 3mug s LYS 166 Ca 0.01 2.21 0.03 0.00 -0.36 0.00 0.00 55.97 57.86 3mug s LYS 166 Cb -0.09 -2.75 0.41 0.00 -1.51 0.00 0.00 37.83 33.90 3mug s LYS 166 CO 0.02 -0.54 1.39 0.00 -0.36 0.00 0.00 175.35 175.86 3mug n GLN 167 N 0.09 3.26 0.00 4.03 10.64 -0.01 -4.86 117.38 130.54 3mug n GLN 167 Ca 0.04 -4.15 0.00 0.00 -1.83 0.00 0.00 57.00 51.06 3mug n GLN 167 Cb 0.43 -2.26 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 3mug n GLN 167 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3mug n SER 168 N -0.56 0.00 -2.03 2.61 3.41 -1.26 -4.57 113.62 111.21 3mug n SER 168 Ca 0.45 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 3mug n SER 168 Cb 0.62 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.41 3mug n SER 168 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3mug n ASN 170 N 1.28 5.35 0.00 4.04 6.94 -1.26 -4.84 115.26 126.76 3mug n ASN 170 Ca 0.00 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 52.02 3mug n ASN 170 Cb 0.00 -1.40 0.00 0.00 -2.36 0.00 0.00 39.78 36.02 3mug n ASN 170 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3mug n ASN 171 N 2.34 0.00 -4.84 0.53 4.13 -1.26 -4.82 115.26 111.33 3mug n ASN 171 Ca 0.43 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.39 3mug n ASN 171 Cb 0.88 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 39.21 3mug n ASN 171 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3mug s LYS 172 N 0.00 2.07 0.24 3.52 1.02 -1.26 -4.74 119.74 120.58 3mug s LYS 172 Ca 0.00 0.40 0.06 0.00 0.02 0.00 0.00 55.97 56.45 3mug s LYS 172 Cb 0.00 -1.94 -0.03 0.00 -0.52 0.00 0.00 37.83 35.34 3mug s LYS 172 CO 0.00 -1.58 0.23 0.71 -0.92 0.00 0.00 175.35 173.79 3mug s TYR 173 N -3.33 3.20 0.03 3.18 2.02 0.15 -0.83 117.35 121.77 3mug s TYR 173 Ca 0.61 -0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 57.18 3mug s TYR 173 Cb -0.13 -1.45 -0.01 0.00 -0.40 0.00 0.00 41.96 39.97 3mug s TYR 173 CO 0.52 0.50 0.09 0.00 -1.57 0.00 0.00 175.55 175.09 3mug s ALA 174 N -2.06 -0.10 0.21 3.71 0.00 -0.73 -0.97 121.76 121.82 3mug s ALA 174 Ca 0.33 -0.45 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 3mug s ALA 174 Cb -0.08 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3mug s ALA 174 CO 0.26 -0.27 0.47 0.00 0.00 0.00 0.00 175.76 176.22 3mug s ALA 175 N -2.15 -0.48 0.00 0.00 0.00 0.70 -1.59 121.76 118.24 3mug s ALA 175 Ca -0.09 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 3mug s ALA 175 Cb -0.04 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 3mug s ALA 175 CO -0.02 -0.81 0.10 -1.54 0.00 0.00 0.00 175.76 173.49 3mug s SER 176 N -2.95 0.06 0.01 0.00 1.04 -1.26 -1.10 113.70 109.50 3mug s SER 176 Ca 0.16 -0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.40 3mug s SER 176 Cb -0.00 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.29 3mug s SER 176 CO 0.03 -0.32 -0.11 -0.55 0.98 0.00 0.00 173.24 173.26 3mug s SER 177 N -1.26 1.35 -0.02 7.02 0.15 -0.22 -0.71 113.70 120.01 3mug s SER 177 Ca -0.14 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.24 3mug s SER 177 Cb -0.07 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 3mug s SER 177 CO 0.01 0.06 -0.14 -0.31 1.20 0.00 0.00 173.24 174.06 3mug s TYR 178 N -0.56 1.32 -0.28 3.44 2.02 0.79 -0.58 117.35 123.50 3mug s TYR 178 Ca 0.02 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3mug s TYR 178 Cb -0.06 -0.88 0.07 0.00 -0.40 0.00 0.00 41.96 40.69 3mug s TYR 178 CO 0.00 -0.08 -0.06 -1.17 -1.57 0.00 0.00 175.55 172.67 3mug s LEU 179 N -0.09 3.82 -0.10 -1.29 2.96 -0.70 -1.51 118.68 121.77 3mug s LEU 179 Ca 0.01 -1.59 -0.23 0.00 -0.22 0.00 0.00 54.13 52.10 3mug s LEU 179 Cb -0.08 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 3mug s LEU 179 CO 0.00 -0.25 0.68 -0.44 -1.32 0.00 0.00 176.35 175.03 3mug s SER 180 N 1.06 6.91 0.26 3.68 0.01 -0.48 -1.40 113.70 123.74 3mug s SER 180 Ca -0.04 1.10 0.02 0.00 1.31 0.00 0.00 55.95 58.34 3mug s SER 180 Cb -0.20 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3mug s SER 180 CO -0.06 -0.15 0.07 -0.76 0.41 0.00 0.00 173.24 172.75 3mug s LEU 181 N 1.06 1.83 0.37 2.44 1.43 -0.21 -4.71 118.68 120.88 3mug s LEU 181 Ca 0.35 -1.34 -0.08 0.00 -1.03 0.00 0.00 54.13 52.03 3mug s LEU 181 Cb -0.17 -0.08 -0.06 0.00 0.03 0.00 0.00 46.19 45.92 3mug s LEU 181 CO 0.16 -0.67 0.69 0.42 0.23 0.00 0.00 176.35 177.18 3mug s THR 182 N -3.64 4.88 0.59 5.49 -4.23 -1.26 -2.60 115.64 114.86 3mug s THR 182 Ca 0.35 0.40 0.29 0.00 -1.18 0.00 0.00 61.69 61.55 3mug s THR 182 Cb 0.08 -3.74 0.36 0.00 1.34 0.00 0.00 72.50 70.53 3mug s THR 182 CO 0.12 -0.46 2.18 -0.65 -0.54 0.00 0.00 174.62 175.27 3mug h PRO 183 N 1.36 0.00 -0.15 3.99 0.11 -1.82 -2.50 132.00 132.99 3mug h PRO 183 Ca -0.47 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3mug h PRO 183 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3mug h PRO 183 CO 0.64 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.24 3mug h GLU 184 N 0.00 0.35 -0.60 1.05 3.07 -1.98 -2.73 114.58 113.75 3mug h GLU 184 Ca 0.04 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 58.72 3mug h GLU 184 Cb 0.23 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3mug h GLU 184 CO -0.00 0.71 0.36 1.96 -1.40 0.00 0.00 179.01 180.64 3mug h GLN 185 N -0.00 0.81 -0.79 2.33 4.20 -1.84 -1.60 115.11 118.22 3mug h GLN 185 Ca 0.03 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.72 3mug h GLN 185 Cb 0.64 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 3mug h GLN 185 CO 0.03 0.59 0.47 2.35 -0.67 0.00 0.00 178.83 181.60 3mug h TRP 186 N 0.81 0.87 0.00 2.96 2.91 -1.49 -2.27 115.95 119.73 3mug h TRP 186 Ca 0.21 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.26 3mug h TRP 186 Cb -0.01 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.36 3mug h TRP 186 CO -0.02 0.44 -0.32 0.87 -1.03 0.00 0.00 178.44 178.38 3mug h LYS 187 N 0.87 0.00 0.00 2.65 1.57 -1.30 -3.35 116.57 117.01 3mug h LYS 187 Ca 0.35 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 3mug h LYS 187 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3mug h LYS 187 CO -0.18 0.00 -0.41 0.77 -0.57 0.00 0.00 179.45 179.07 3mug h SER 188 N 0.00 0.00 -2.94 0.86 0.02 -0.67 -3.45 113.55 107.36 3mug h SER 188 Ca 0.00 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.34 3mug h SER 188 Cb 0.79 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.24 3mug h SER 188 CO 0.00 0.41 -0.62 -1.00 -1.14 0.00 0.00 176.83 174.48 3mug s HIS 189 N -3.54 3.02 0.23 3.45 3.76 -1.22 -5.04 115.29 115.95 3mug s HIS 189 Ca 0.00 -0.05 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 3mug s HIS 189 Cb 0.11 -1.49 0.20 0.00 1.11 0.00 0.00 32.58 32.51 3mug s HIS 189 CO 0.70 0.51 1.52 1.57 -0.85 0.00 0.00 174.74 178.19 3mug h LYS 190 N 2.80 0.06 -3.33 1.40 -0.00 -1.89 -3.42 116.57 112.19 3mug h LYS 190 Ca -0.47 -0.06 -0.01 0.00 -0.00 0.00 0.00 60.65 60.11 3mug h LYS 190 Cb 1.19 0.01 -0.08 0.00 -0.00 0.00 0.00 32.23 33.35 3mug h LYS 190 CO 0.61 0.75 0.04 -1.54 -0.00 0.00 0.00 179.45 179.31 3mug s SER 191 N -6.85 -0.21 -0.00 7.07 1.04 -1.26 -4.21 113.70 109.29 3mug s SER 191 Ca -0.02 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3mug s SER 191 Cb 0.12 0.62 -0.00 0.00 0.10 0.00 0.00 66.02 66.86 3mug s SER 191 CO 0.79 -1.16 -0.02 -0.31 0.98 0.00 0.00 173.24 173.52 3mug s TYR 192 N -3.93 0.17 0.04 5.02 1.51 -0.34 -0.39 117.35 119.42 3mug s TYR 192 Ca 0.14 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.20 3mug s TYR 192 Cb -0.02 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.70 3mug s TYR 192 CO 0.04 -0.01 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.19 3mug s SER 193 N -0.11 1.84 -0.24 2.29 0.01 0.28 -1.30 113.70 116.47 3mug s SER 193 Ca -0.00 -0.46 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 3mug s SER 193 Cb -0.01 -0.13 0.02 0.00 0.21 0.00 0.00 66.02 66.11 3mug s SER 193 CO -0.00 0.07 -0.07 0.00 0.41 0.00 0.00 173.24 173.65 3mug s GLN 195 N 1.35 3.31 -0.19 0.00 0.74 0.10 -1.83 119.66 123.13 3mug s GLN 195 Ca 0.02 -0.67 -0.00 0.00 0.05 0.00 0.00 55.36 54.75 3mug s GLN 195 Cb -0.16 -3.06 0.01 0.00 1.10 0.00 0.00 33.01 30.90 3mug s GLN 195 CO -0.05 -0.24 -0.15 0.08 -0.55 0.00 0.00 175.29 174.37 3mug s VAL 196 N 1.47 2.42 -0.18 1.34 1.01 0.45 -0.82 120.40 126.11 3mug s VAL 196 Ca 0.05 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3mug s VAL 196 Cb -0.15 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3mug s VAL 196 CO -0.02 0.49 -0.01 -0.89 0.00 0.00 0.00 175.10 174.67 3mug s THR 197 N 1.34 4.06 -0.07 3.92 2.01 0.02 -1.42 115.64 125.49 3mug s THR 197 Ca 0.05 -0.29 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 3mug s THR 197 Cb -0.14 -2.81 0.04 0.00 0.01 0.00 0.00 72.50 69.61 3mug s THR 197 CO -0.10 0.46 0.15 -2.28 -0.69 0.00 0.00 174.62 172.16 3mug s HIS 198 N 0.60 -0.15 -1.40 4.92 2.46 -0.08 -1.31 115.29 120.33 3mug s HIS 198 Ca -0.01 0.53 -0.08 0.00 0.47 0.00 0.00 55.06 55.97 3mug s HIS 198 Cb -0.14 -0.20 0.04 0.00 -0.13 0.00 0.00 32.58 32.15 3mug s HIS 198 CO 0.02 -0.22 1.00 0.39 -2.47 0.00 0.00 174.74 173.46 3mug n GLU 199 N 4.84 -6.31 0.00 2.88 -0.58 -1.26 -1.82 120.64 118.38 3mug n GLU 199 Ca -0.14 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.30 3mug n GLU 199 Cb 0.51 -5.60 0.00 0.00 -0.57 0.00 0.00 31.44 25.78 3mug n GLU 199 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mug n GLY 200 N -1.71 2.12 3.92 0.62 0.00 -1.26 -4.99 105.19 103.89 3mug n GLY 200 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3mug n GLY 200 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mug s SER 203 N -2.69 6.38 -0.02 1.61 0.01 -0.76 -5.11 113.70 113.13 3mug s SER 203 Ca 0.00 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.63 3mug s SER 203 Cb 0.00 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 3mug s SER 203 CO 0.00 0.11 -0.16 -0.89 0.41 0.00 0.00 173.24 172.71 3mug s THR 204 N -1.61 1.28 -0.10 1.44 2.01 -1.26 -0.90 115.64 116.49 3mug s THR 204 Ca 0.36 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.71 3mug s THR 204 Cb -0.12 -1.07 -0.00 0.00 0.01 0.00 0.00 72.50 71.31 3mug s THR 204 CO 0.28 0.36 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.67 3mug s VAL 205 N -0.32 2.29 -0.10 3.82 1.01 -0.51 -4.99 120.40 121.60 3mug s VAL 205 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3mug s VAL 205 Cb -0.07 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3mug s VAL 205 CO -0.00 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 174.87 3mug s GLU 206 N 0.30 1.51 0.00 2.72 2.12 -1.26 -0.41 118.70 123.68 3mug s GLU 206 Ca -0.16 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 54.91 3mug s GLU 206 Cb -0.17 -1.48 -0.03 0.00 0.26 0.00 0.00 34.13 32.70 3mug s GLU 206 CO 0.08 -0.18 -0.03 0.15 -0.54 0.00 0.00 175.26 174.74 3mug s LYS 207 N 1.39 2.68 -0.03 4.30 -0.14 -0.76 -4.98 119.74 122.20 3mug s LYS 207 Ca -0.01 -0.66 0.04 0.00 -1.36 0.00 0.00 55.97 53.98 3mug s LYS 207 Cb -0.13 -2.60 -0.00 0.00 -1.68 0.00 0.00 37.83 33.41 3mug s LYS 207 CO -0.05 0.61 -0.16 0.99 -0.76 0.00 0.00 175.35 175.99 3mug s THR 208 N -1.05 1.30 0.08 2.17 2.01 -1.26 -1.80 115.64 117.10 3mug s THR 208 Ca 0.18 -0.66 0.08 0.00 0.31 0.00 0.00 61.69 61.61 3mug s THR 208 Cb -0.11 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3mug s THR 208 CO 0.09 0.38 -0.21 0.68 -0.69 0.00 0.00 174.62 174.86 3mug s VAL 209 N -0.01 1.74 0.03 3.82 -7.23 -0.42 -4.99 120.40 113.34 3mug s VAL 209 Ca -0.02 -1.45 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3mug s VAL 209 Cb -0.10 -1.55 -0.02 0.00 0.56 0.00 0.00 36.38 35.26 3mug s VAL 209 CO 0.01 0.04 -0.16 0.00 -0.31 0.00 0.00 175.10 174.68 3mug s ALA 210 N -1.04 1.37 -0.10 1.32 0.00 -1.26 -1.20 121.76 120.85 3mug s ALA 210 Ca 0.07 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 3mug s ALA 210 Cb -0.10 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 3mug s ALA 210 CO 0.04 0.30 1.99 -2.14 0.00 0.00 0.00 175.76 175.94 3mug s PRO 211 N -0.94 3.73 0.00 0.00 0.02 -1.26 -5.05 135.00 131.49 3mug s PRO 211 Ca 0.04 2.24 0.11 0.00 0.02 0.00 0.00 61.00 63.41 3mug s PRO 211 Cb -0.08 -4.21 0.08 0.00 0.02 0.00 0.00 34.50 30.32 3mug s PRO 211 CO 0.01 -1.42 0.84 0.25 -0.33 0.00 0.00 177.00 176.35