#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s LEU 4 N 0.00 3.61 -0.24 0.00 1.43 -0.81 -4.93 118.68 117.74 3mug s LEU 4 Ca 0.00 2.03 -0.09 0.00 -1.03 0.00 0.00 54.13 55.03 3mug s LEU 4 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3mug s LEU 4 CO 0.00 -1.28 0.13 -0.89 0.23 0.00 0.00 176.35 174.54 3mug s THR 5 N -2.09 5.06 0.10 5.49 2.01 0.11 -2.64 115.64 123.68 3mug s THR 5 Ca 0.69 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.83 3mug s THR 5 Cb -0.20 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 3mug s THR 5 CO 0.32 0.35 -0.17 -1.10 -0.69 0.00 0.00 174.62 173.33 3mug s GLN 6 N 1.12 1.02 0.36 4.92 -0.21 -1.26 -0.08 119.66 125.53 3mug s GLN 6 Ca 0.06 -1.13 -0.27 0.00 0.02 0.00 0.00 55.36 54.04 3mug s GLN 6 Cb -0.14 -1.10 -0.09 0.00 1.00 0.00 0.00 33.01 32.68 3mug s GLN 6 CO 0.05 0.24 1.18 -1.25 -2.12 0.00 0.00 175.29 173.39 3mug s PRO 7 N -2.09 4.24 0.38 2.91 0.04 -1.26 -4.84 135.00 134.37 3mug s PRO 7 Ca 0.05 1.91 0.10 0.00 0.04 0.00 0.00 61.00 63.10 3mug s PRO 7 Cb -0.09 -2.86 0.76 0.00 0.04 0.00 0.00 34.50 32.35 3mug s PRO 7 CO 0.04 -0.18 1.88 0.00 0.04 0.00 0.00 177.00 178.77 3mug h ALA 8 N 3.02 1.46 -3.45 8.56 0.00 -1.89 -3.36 119.26 123.60 3mug h ALA 8 Ca -0.48 -0.25 -0.27 0.00 0.00 0.00 0.00 54.91 53.90 3mug h ALA 8 Cb 1.23 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.62 3mug h ALA 8 CO 0.64 0.39 -0.68 0.45 0.00 0.00 0.00 179.25 180.05 3mug s SER 9 N -6.91 -0.00 -0.06 0.00 0.15 -1.26 -1.01 113.70 104.61 3mug s SER 9 Ca -0.05 0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.75 3mug s SER 9 Cb 0.15 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.51 3mug s SER 9 CO 0.73 -0.12 -0.08 -0.69 1.20 0.00 0.00 173.24 174.28 3mug s VAL 11 N 0.97 0.86 0.15 4.45 1.01 -0.45 -4.36 120.40 123.04 3mug s VAL 11 Ca -0.08 -0.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3mug s VAL 11 Cb -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 3mug s VAL 11 CO -0.04 0.30 0.07 -0.94 0.00 0.00 0.00 175.10 174.50 3mug s SER 12 N 0.93 0.37 0.12 3.32 1.04 -1.26 -2.03 113.70 116.18 3mug s SER 12 Ca -0.10 -1.25 -0.26 0.00 0.48 0.00 0.00 55.95 54.82 3mug s SER 12 Cb -0.15 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.35 3mug s SER 12 CO 0.01 -0.74 1.06 -0.83 0.98 0.00 0.00 173.24 173.71 3mug s GLY 13 N -3.09 -0.21 0.47 7.32 0.00 -0.99 -4.97 107.32 105.85 3mug s GLY 13 Ca 0.28 0.17 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 3mug s GLY 13 CO 0.05 0.58 0.78 -0.56 0.00 0.00 0.00 173.10 173.94 3mug s SER 14 N -3.05 6.28 0.32 1.64 0.01 -1.26 -1.06 113.70 116.58 3mug s SER 14 Ca 0.15 0.92 -0.29 0.00 1.31 0.00 0.00 55.95 58.04 3mug s SER 14 Cb -0.00 -2.24 -0.12 0.00 0.21 0.00 0.00 66.02 63.86 3mug s SER 14 CO 0.01 -0.56 1.35 -2.65 0.41 0.00 0.00 173.24 171.81 3mug n PRO 15 N -2.18 2.18 0.00 12.44 -0.02 -1.26 -2.00 135.00 144.16 3mug n PRO 15 Ca 0.00 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3mug n PRO 15 Cb 0.55 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 1.16 2.72 3.76 -1.23 0.00 -0.07 -4.86 105.19 106.67 3mug n GLY 16 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3mug n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3mug s GLN 17 N -0.45 2.00 -0.20 1.61 -0.21 -0.85 -3.45 119.66 118.11 3mug s GLN 17 Ca 0.00 1.05 -0.04 0.00 0.02 0.00 0.00 55.36 56.39 3mug s GLN 17 Cb 0.00 -1.88 -0.02 0.00 1.00 0.00 0.00 33.01 32.12 3mug s GLN 17 CO 0.00 -1.79 -0.03 -0.08 -2.12 0.00 0.00 175.29 171.27 3mug s THR 18 N -2.92 3.68 0.19 -0.19 -1.32 -1.26 -0.99 115.64 112.82 3mug s THR 18 Ca 0.62 -0.41 0.11 0.00 -1.21 0.00 0.00 61.69 60.80 3mug s THR 18 Cb -0.17 -2.65 -0.04 0.00 -1.51 0.00 0.00 72.50 68.12 3mug s THR 18 CO 0.56 0.44 -0.24 0.27 -2.21 0.00 0.00 174.62 173.44 3mug s ILE 19 N 1.05 2.30 -0.02 5.08 -4.36 -0.48 -4.98 121.20 119.80 3mug s ILE 19 Ca 0.01 -2.01 0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3mug s ILE 19 Cb -0.15 -2.09 -0.01 0.00 1.25 0.00 0.00 42.46 41.46 3mug s ILE 19 CO 0.01 -0.12 -0.13 -0.89 0.24 0.00 0.00 174.94 174.04 3mug s THR 20 N -1.67 1.05 -0.18 8.37 2.01 -1.26 -1.05 115.64 122.91 3mug s THR 20 Ca 0.20 -0.55 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 3mug s THR 20 Cb -0.08 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3mug s THR 20 CO 0.09 0.30 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.54 3mug s ILE 21 N -0.22 2.50 0.24 1.82 1.01 0.10 -4.97 121.20 121.69 3mug s ILE 21 Ca 0.03 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 3mug s ILE 21 Cb -0.06 -2.07 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 3mug s ILE 21 CO -0.00 0.51 0.46 -0.94 0.00 0.00 0.00 174.94 174.97 3mug s SER 22 N 1.19 6.41 -0.26 3.58 1.04 -1.26 -1.05 113.70 123.35 3mug s SER 22 Ca 0.02 0.54 -0.03 0.00 0.48 0.00 0.00 55.95 56.96 3mug s SER 22 Cb -0.14 -2.07 0.11 0.00 0.10 0.00 0.00 66.02 64.02 3mug s SER 22 CO -0.07 -0.11 0.21 0.00 0.98 0.00 0.00 173.24 174.25 3mug s ASN 24 N 2.25 6.46 0.00 0.00 0.01 0.89 -1.00 114.94 123.55 3mug s ASN 24 Ca 0.08 0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 3mug s ASN 24 Cb -0.15 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.24 3mug s ASN 24 CO -0.28 -0.19 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 3mug n GLY 25 N 4.15 5.82 0.00 0.66 0.00 0.63 -0.71 105.19 115.74 3mug n GLY 25 Ca -0.06 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.29 113.62 118.90 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 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.08 0.00 -0.01 4.04 5.68 -1.26 -1.14 116.55 123.94 3mug n ASP 27 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 54.79 54.19 3mug n ASP 27 Cb 0.00 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 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 0.88 0.00 2.12 2.07 -1.72 -2.28 116.25 117.32 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 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 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 0.01 0.00 1.33 2.17 0.00 -0.76 -3.29 103.07 102.52 3mug h GLY 28 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.13 3mug h GLY 28 CO -0.13 0.00 -1.47 -1.33 0.00 0.00 0.00 176.54 173.62 3mug h GLY 29 N 2.77 0.01 -3.05 4.60 0.00 -1.52 -3.48 103.07 102.40 3mug h GLY 29 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.15 3mug h GLY 29 CO 0.00 0.02 -0.65 -1.36 0.00 0.00 0.00 176.54 174.55 3mug s PHE 30 N -2.64 0.68 -0.88 5.60 0.08 -0.92 -4.98 117.98 114.93 3mug s PHE 30 Ca -0.03 -1.14 -0.01 0.00 0.12 0.00 0.00 56.93 55.87 3mug s PHE 30 Cb 0.09 -0.42 0.34 0.00 -0.57 0.00 0.00 43.02 42.46 3mug s PHE 30 CO 0.82 -0.46 1.89 -0.25 -0.10 0.00 0.00 175.22 177.13 3mug n ASP 31 N -0.00 7.26 -2.48 1.36 8.00 -1.26 -4.69 116.55 124.74 3mug n ASP 31 Ca -0.10 -3.78 -0.21 0.00 0.71 0.00 0.00 54.79 51.41 3mug n ASP 31 Cb 0.62 -1.06 0.01 0.00 -0.02 0.00 0.00 41.12 40.68 3mug n ASP 31 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3mug n SER 32 N -0.38 3.79 -4.68 -2.24 7.64 -1.26 -4.17 113.62 112.32 3mug n SER 32 Ca 0.50 -3.39 -0.37 0.00 1.01 0.00 0.00 58.87 56.63 3mug n SER 32 Cb 0.27 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 5.31 0.14 0.44 1.01 -1.26 -3.30 120.40 118.01 3mug s VAL 33 Ca 0.42 0.38 0.09 0.00 0.00 0.00 0.00 61.98 62.86 3mug s VAL 33 Cb 0.41 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3mug s VAL 33 CO -0.10 0.33 -0.20 -0.94 0.00 0.00 0.00 175.10 174.20 3mug s SER 34 N 0.92 2.69 -0.03 3.32 1.04 -0.63 -1.41 113.70 119.60 3mug s SER 34 Ca 0.12 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.82 3mug s SER 34 Cb -0.14 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.81 3mug s SER 34 CO 0.05 0.01 -0.22 0.26 0.98 0.00 0.00 173.24 174.32 3mug s TRP 35 N -1.68 2.04 -0.02 5.02 0.52 0.02 0.18 118.94 125.01 3mug s TRP 35 Ca 0.13 -0.47 0.05 0.00 0.02 0.00 0.00 56.10 55.83 3mug s TRP 35 Cb -0.07 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 3mug s TRP 35 CO 0.06 -0.09 -0.18 0.71 0.02 0.00 0.00 176.95 177.47 3mug s TYR 36 N -0.35 1.67 -0.12 -1.98 1.51 0.04 -0.42 117.35 117.69 3mug s TYR 36 Ca 0.04 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 3mug s TYR 36 Cb -0.10 -1.09 -0.03 0.00 -0.11 0.00 0.00 41.96 40.62 3mug s TYR 36 CO 0.01 -0.08 0.01 -1.14 -1.11 0.00 0.00 175.55 173.24 3mug s GLN 37 N -0.27 3.37 -0.21 -0.62 -0.44 0.01 -0.53 119.66 120.98 3mug s GLN 37 Ca 0.03 -0.41 -0.01 0.00 -2.50 0.00 0.00 55.36 52.47 3mug s GLN 37 Cb -0.09 -2.93 0.06 0.00 -1.64 0.00 0.00 33.01 28.41 3mug s GLN 37 CO 0.00 0.51 -0.00 -1.14 0.50 0.00 0.00 175.29 175.16 3mug s GLN 38 N -0.34 1.07 0.48 1.67 0.74 0.40 -1.04 119.66 122.64 3mug s GLN 38 Ca 0.07 -0.63 -0.18 0.00 0.05 0.00 0.00 55.36 54.67 3mug s GLN 38 Cb -0.12 -2.27 -0.09 0.00 1.10 0.00 0.00 33.01 31.63 3mug s GLN 38 CO 0.02 -0.60 0.97 -1.12 -0.55 0.00 0.00 175.29 174.00 3mug s SER 39 N 1.67 6.72 0.17 6.67 0.01 -1.26 -1.76 113.70 125.92 3mug s SER 39 Ca -0.03 1.59 -0.32 0.00 1.31 0.00 0.00 55.95 58.51 3mug s SER 39 Cb -0.18 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.43 3mug s SER 39 CO -0.07 -0.51 1.74 -2.16 0.41 0.00 0.00 173.24 172.66 3mug s PRO 40 N -3.77 4.14 0.00 12.44 0.04 -1.26 -1.25 135.00 145.34 3mug s PRO 40 Ca 0.60 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.21 3mug s PRO 40 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3mug s PRO 40 CO 0.25 -0.77 0.00 0.41 0.04 0.00 0.00 177.00 176.93 3mug n GLY 41 N 4.05 0.70 3.61 0.56 0.00 -1.26 -5.02 105.19 107.84 3mug n GLY 41 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 3mug n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug s LYS 42 N -0.18 2.23 0.66 1.61 3.01 -0.38 -5.13 119.74 121.56 3mug s LYS 42 Ca 0.00 -1.15 -0.15 0.00 -1.01 0.00 0.00 55.97 53.67 3mug s LYS 42 Cb 0.00 -2.28 0.00 0.00 -1.01 0.00 0.00 37.83 34.54 3mug s LYS 42 CO 0.00 0.46 1.11 0.00 0.51 0.00 0.00 175.35 177.43 3mug s ALA 43 N -1.62 2.47 0.79 5.17 0.00 -1.26 -4.46 121.76 122.85 3mug s ALA 43 Ca 0.25 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.63 3mug s ALA 43 Cb -0.09 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3mug s ALA 43 CO 0.16 -1.28 1.11 -2.14 0.00 0.00 0.00 175.76 173.62 3mug s PRO 44 N -4.13 2.02 -0.05 0.00 0.02 -1.26 -4.67 135.00 126.93 3mug s PRO 44 Ca 0.67 1.32 0.01 0.00 0.02 0.00 0.00 61.00 63.01 3mug s PRO 44 Cb -0.20 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.48 3mug s PRO 44 CO 0.42 -1.85 -0.04 0.21 -0.33 0.00 0.00 177.00 175.41 3mug s LYS 45 N -4.70 0.88 0.04 5.54 2.47 -0.21 -4.95 119.74 118.81 3mug s LYS 45 Ca 0.64 -0.10 -0.31 0.00 -1.56 0.00 0.00 55.97 54.64 3mug s LYS 45 Cb -0.19 -0.92 -0.07 0.00 -1.46 0.00 0.00 37.83 35.19 3mug s LYS 45 CO 0.54 -0.11 1.42 0.54 0.16 0.00 0.00 175.35 177.91 3mug s VAL 46 N 1.07 3.52 -0.23 4.02 0.11 -1.26 -0.81 120.40 126.82 3mug s VAL 46 Ca -0.09 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 3mug s VAL 46 Cb -0.14 -3.63 -0.14 0.00 -1.53 0.00 0.00 36.38 30.94 3mug s VAL 46 CO -0.01 0.02 -0.21 0.23 -3.33 0.00 0.00 175.10 171.80 3mug n MET 47 N 4.96 0.55 -3.85 1.54 0.00 0.45 -4.82 117.12 115.95 3mug n MET 47 Ca 0.13 0.14 -0.12 0.00 0.00 0.00 0.00 57.70 57.85 3mug n MET 47 Cb 0.43 -1.44 -0.10 0.00 0.00 0.00 0.00 33.22 32.12 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 -2.45 0.07 0.09 2.03 1.01 -1.21 -4.22 120.40 115.73 3mug s VAL 48 Ca -0.30 -0.60 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3mug s VAL 48 Cb 0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 3mug s VAL 48 CO 0.50 -0.33 0.17 0.72 0.00 0.00 0.00 175.10 176.16 3mug s PHE 49 N -1.25 0.20 -1.47 5.22 -0.71 0.63 -0.80 117.98 119.81 3mug s PHE 49 Ca -0.13 -0.65 -0.03 0.00 -1.04 0.00 0.00 56.93 55.08 3mug s PHE 49 Cb -0.07 -0.10 0.03 0.00 -1.21 0.00 0.00 43.02 41.67 3mug s PHE 49 CO 0.02 -0.53 0.45 -0.25 -1.34 0.00 0.00 175.22 173.57 3mug n ASP 50 N -0.04 -0.76 0.00 1.98 8.00 -0.90 -1.43 116.55 123.40 3mug n ASP 50 Ca -0.15 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3mug n ASP 50 Cb 0.62 -2.91 0.00 0.00 -0.02 0.00 0.00 41.12 38.81 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 -4.42 0.00 0.01 2.53 0.31 -0.50 -4.01 118.33 112.25 3mug n VAL 51 Ca -0.25 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 3mug n VAL 51 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.59 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 2.62 1.36 -4.81 4.52 3.41 -1.23 -3.64 113.62 115.85 3mug n SER 52 Ca 0.00 -1.34 -0.38 0.00 -0.26 0.00 0.00 58.87 56.89 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 -0.35 3.76 -0.15 7.33 4.02 -0.51 -4.54 115.29 124.86 3mug s HIS 53 Ca 0.01 1.19 -0.06 0.00 1.02 0.00 0.00 55.06 57.22 3mug s HIS 53 Cb 0.00 -2.47 -0.04 0.00 -1.02 0.00 0.00 32.58 29.06 3mug s HIS 53 CO 0.00 0.55 0.05 1.03 1.02 0.00 0.00 174.74 177.40 3mug s ARG 54 N -0.92 3.64 0.98 1.40 0.52 -1.26 -0.27 118.95 123.05 3mug s ARG 54 Ca 0.28 -0.35 -0.12 0.00 -0.52 0.00 0.00 55.73 55.02 3mug s ARG 54 Cb -0.19 -3.08 0.18 0.00 0.52 0.00 0.00 34.95 32.38 3mug s ARG 54 CO 0.17 0.44 1.09 -2.14 0.02 0.00 0.00 175.30 174.88 3mug s PRO 55 N -0.11 0.56 0.23 3.54 0.02 -1.26 -4.94 135.00 133.04 3mug s PRO 55 Ca 0.06 0.64 -0.31 0.00 0.02 0.00 0.00 61.00 61.41 3mug s PRO 55 Cb -0.12 -1.74 -0.11 0.00 0.02 0.00 0.00 34.50 32.55 3mug s PRO 55 CO 0.01 -2.67 1.55 -1.12 -0.33 0.00 0.00 177.00 174.44 3mug s SER 56 N -3.37 6.53 0.00 2.53 0.01 -1.26 -2.76 113.70 115.39 3mug s SER 56 Ca 0.65 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.65 3mug s SER 56 Cb -0.19 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.43 3mug s SER 56 CO 0.58 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 174.01 3mug n GLY 57 N 2.89 0.87 3.70 3.44 0.00 -1.26 -5.05 105.19 109.78 3mug n GLY 57 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.43 5.12 0.47 -0.61 1.09 -1.11 -5.04 121.20 118.69 3mug s ILE 58 Ca 0.00 1.07 -0.23 0.00 -1.10 0.00 0.00 60.65 60.39 3mug s ILE 58 Cb 0.00 -3.88 -0.08 0.00 -1.06 0.00 0.00 42.46 37.44 3mug s ILE 58 CO 0.00 0.24 1.10 -0.24 -0.10 0.00 0.00 174.94 175.94 3mug n SER 59 N 4.20 1.64 0.05 3.58 2.88 -1.26 -4.90 113.62 119.81 3mug n SER 59 Ca -0.05 1.00 0.06 0.00 -1.33 0.00 0.00 58.87 58.55 3mug n SER 59 Cb 0.51 -1.42 0.29 0.00 -0.75 0.00 0.00 64.21 62.84 3mug n SER 59 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3mug n ASN 60 N -0.01 0.20 0.27 -3.46 6.94 -1.26 -2.50 115.26 115.44 3mug n ASN 60 Ca 0.10 0.57 0.16 0.00 -0.02 0.00 0.00 54.58 55.38 3mug n ASN 60 Cb 0.42 -0.60 0.64 0.00 -2.36 0.00 0.00 39.78 37.88 3mug n ASN 60 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 3mug h ARG 61 N 0.00 0.00 -5.16 -3.83 3.08 -1.90 -3.42 114.38 103.16 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 0.17 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.07 3mug h ARG 61 CO 0.00 0.03 -0.19 -0.06 -1.07 0.00 0.00 179.97 178.67 3mug s PHE 62 N -3.66 3.23 0.01 3.04 0.08 -1.04 -0.72 117.98 118.93 3mug s PHE 62 Ca 0.01 0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.42 3mug s PHE 62 Cb 0.09 -2.66 -0.01 0.00 -0.57 0.00 0.00 43.02 39.87 3mug s PHE 62 CO 0.56 -0.31 -0.08 -1.54 -0.10 0.00 0.00 175.22 173.75 3mug s SER 63 N 1.66 0.89 0.06 1.36 1.04 -0.27 -4.97 113.70 113.47 3mug s SER 63 Ca 0.16 -0.27 0.06 0.00 0.48 0.00 0.00 55.95 56.38 3mug s SER 63 Cb -0.16 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 3mug s SER 63 CO 0.11 -0.00 -0.13 -0.83 0.98 0.00 0.00 173.24 173.36 3mug s GLY 64 N -0.65 1.69 0.08 7.32 0.00 -1.26 -0.07 107.32 114.42 3mug s GLY 64 Ca -0.01 -1.19 -0.10 0.00 0.00 0.00 0.00 44.72 43.43 3mug s GLY 64 CO 0.00 -1.11 0.21 -0.45 0.00 0.00 0.00 173.10 171.75 3mug s SER 65 N -1.72 0.06 -0.03 1.64 0.15 -0.25 -4.09 113.70 109.46 3mug s SER 65 Ca 0.17 -0.53 -0.04 0.00 0.70 0.00 0.00 55.95 56.25 3mug s SER 65 Cb -0.11 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 3mug s SER 65 CO 0.09 -0.69 0.10 -0.75 1.20 0.00 0.00 173.24 173.19 3mug s LYS 66 N -3.45 0.16 -0.23 5.44 2.20 -1.26 0.20 119.74 122.80 3mug s LYS 66 Ca 0.02 0.06 -0.03 0.00 -0.36 0.00 0.00 55.97 55.65 3mug s LYS 66 Cb 0.03 0.07 0.10 0.00 -1.51 0.00 0.00 37.83 36.52 3mug s LYS 66 CO -0.09 -0.03 0.22 0.45 -0.36 0.00 0.00 175.35 175.54 3mug s SER 67 N -0.15 1.74 1.74 1.43 0.15 0.47 -5.00 113.70 114.07 3mug s SER 67 Ca -0.02 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.16 3mug s SER 67 Cb -0.02 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 3mug s SER 67 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3mug n GLY 68 N 5.31 3.71 0.92 9.45 0.00 -1.26 -1.76 105.19 121.56 3mug n GLY 68 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 9.14 2.70 -4.30 1.61 3.02 -1.26 -3.89 115.26 122.28 3mug n ASN 69 Ca 0.00 -1.95 -0.32 0.00 -0.03 0.00 0.00 54.58 52.28 3mug n ASN 69 Cb 0.00 -0.29 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.42 2.46 0.10 3.41 2.01 -0.72 -0.27 115.64 121.21 3mug s THR 70 Ca 0.35 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.53 3mug s THR 70 Cb 0.19 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3mug s THR 70 CO 0.25 0.55 -0.10 0.00 -0.69 0.00 0.00 174.62 174.63 3mug s ALA 71 N 0.17 2.94 -0.00 7.40 0.00 -0.17 -0.40 121.76 131.69 3mug s ALA 71 Ca -0.11 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.64 3mug s ALA 71 Cb -0.16 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 3mug s ALA 71 CO 0.06 0.64 -0.07 -1.12 0.00 0.00 0.00 175.76 175.27 3mug s SER 72 N -2.14 0.87 -0.19 0.00 0.01 0.13 -0.33 113.70 112.05 3mug s SER 72 Ca 0.21 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.32 3mug s SER 72 Cb -0.11 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.03 3mug s SER 72 CO 0.13 0.09 -0.13 -0.22 0.41 0.00 0.00 173.24 173.52 3mug s LEU 73 N -0.20 2.51 -0.13 2.44 2.96 -0.21 -1.09 118.68 124.97 3mug s LEU 73 Ca 0.03 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3mug s LEU 73 Cb -0.03 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3mug s LEU 73 CO -0.00 0.02 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.12 3mug s THR 74 N 1.23 3.96 -0.24 3.68 2.01 0.89 -0.72 115.64 126.45 3mug s THR 74 Ca 0.03 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3mug s THR 74 Cb -0.14 -2.70 0.04 0.00 0.01 0.00 0.00 72.50 69.71 3mug s THR 74 CO -0.06 0.53 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.67 3mug s ILE 75 N -0.11 2.38 0.15 1.82 1.01 -0.21 -1.12 121.20 125.12 3mug s ILE 75 Ca 0.03 -1.32 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 3mug s ILE 75 Cb -0.13 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.03 3mug s ILE 75 CO 0.02 0.15 0.35 -0.94 0.00 0.00 0.00 174.94 174.52 3mug s SER 76 N 1.21 6.42 -1.18 3.58 1.04 0.11 -1.38 113.70 123.50 3mug s SER 76 Ca -0.03 0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 3mug s SER 76 Cb -0.18 -2.03 -0.02 0.00 0.10 0.00 0.00 66.02 63.89 3mug s SER 76 CO -0.06 0.03 0.78 0.61 0.98 0.00 0.00 173.24 175.58 3mug n GLY 77 N -0.21 -0.79 3.57 7.32 0.00 -1.05 -4.81 105.19 109.22 3mug n GLY 77 Ca -0.04 0.38 -0.59 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.99 0.64 -4.27 0.99 7.94 -0.16 -4.42 117.00 113.72 3mug n LEU 78 Ca -0.16 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.65 3mug n LEU 78 Cb 0.63 -0.98 -0.13 0.00 0.53 0.00 0.00 43.42 43.47 3mug n LEU 78 CO 0.66 -1.49 -0.52 -2.28 -1.11 0.00 0.00 177.39 172.65 3mug s HIS 79 N 0.78 1.77 0.63 1.96 5.65 -1.26 -0.89 115.29 123.93 3mug s HIS 79 Ca 0.92 -0.40 0.36 0.00 0.25 0.00 0.00 55.06 56.19 3mug s HIS 79 Cb -1.24 -1.00 2.02 0.00 -1.18 0.00 0.00 32.58 31.18 3mug s HIS 79 CO 0.60 0.16 2.25 -0.84 -0.65 0.00 0.00 174.74 176.26 3mug h ILE 80 N 4.19 0.27 0.00 0.89 -0.00 -1.97 -0.16 117.51 120.72 3mug h ILE 80 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 3mug h ILE 80 Cb 1.17 0.95 0.00 0.00 -0.00 0.00 0.00 36.82 38.94 3mug h ILE 80 CO 0.41 0.00 0.00 -1.84 -0.00 0.00 0.00 178.15 176.72 3mug n GLU 81 N -3.46 0.61 0.03 0.16 0.28 -1.26 -3.02 120.64 113.98 3mug n GLU 81 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.11 3mug n GLU 81 Cb 0.14 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.19 0.54 -4.72 -1.84 8.00 -0.07 -4.92 116.55 112.34 3mug n ASP 82 Ca 0.17 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.33 3mug n ASP 82 Cb 0.19 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 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 -1.82 2.70 -3.09 -1.24 1.02 -1.17 -4.88 120.64 112.16 3mug n GLU 83 Ca 0.05 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 3mug n GLU 83 Cb 0.39 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.02 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 3.41 -0.71 3.74 0.62 0.00 -1.09 -4.75 105.19 106.41 3mug n GLY 84 Ca 0.14 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 6.01 -0.13 1.61 -0.00 -0.72 -0.29 116.67 119.15 3mug s ASP 85 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 52.55 52.81 3mug s ASP 85 Cb 0.00 -1.99 -0.01 0.00 -0.00 0.00 0.00 42.92 40.92 3mug s ASP 85 CO 0.00 0.27 -0.15 -0.31 -0.00 0.00 0.00 175.17 174.98 3mug s TYR 86 N -0.17 2.77 -0.13 4.23 2.02 0.06 -0.45 117.35 125.69 3mug s TYR 86 Ca 0.09 -0.73 0.02 0.00 -0.37 0.00 0.00 57.07 56.09 3mug s TYR 86 Cb -0.12 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 3mug s TYR 86 CO 0.01 -0.26 -0.20 -0.06 -1.57 0.00 0.00 175.55 173.47 3mug s PHE 87 N 0.37 2.41 0.57 2.71 0.40 0.31 -1.36 117.98 123.40 3mug s PHE 87 Ca -0.12 -1.17 -0.07 0.00 -0.60 0.00 0.00 56.93 54.96 3mug s PHE 87 Cb -0.16 -1.67 -0.02 0.00 0.51 0.00 0.00 43.02 41.68 3mug s PHE 87 CO 0.06 -0.55 0.91 0.00 0.70 0.00 0.00 175.22 176.34 3mug s SER 89 N -4.20 -0.14 0.04 0.00 0.15 0.13 -1.64 113.70 108.03 3mug s SER 89 Ca 0.52 -0.14 -0.10 0.00 0.70 0.00 0.00 55.95 56.94 3mug s SER 89 Cb -0.11 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 3mug s SER 89 CO 0.48 -0.59 0.20 -0.55 1.20 0.00 0.00 173.24 173.98 3mug s SER 90 N -1.95 0.02 0.32 5.45 0.15 0.23 -1.60 113.70 116.32 3mug s SER 90 Ca -0.06 -0.34 -0.24 0.00 0.70 0.00 0.00 55.95 56.01 3mug s SER 90 Cb -0.01 0.29 -0.10 0.00 -1.71 0.00 0.00 66.02 64.49 3mug s SER 90 CO -0.02 -0.55 0.90 -0.22 1.20 0.00 0.00 173.24 174.55 3mug s LEU 91 N -2.02 4.29 0.22 3.45 2.96 -1.21 -0.44 118.68 125.93 3mug s LEU 91 Ca -0.06 1.73 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 3mug s LEU 91 Cb -0.02 -4.00 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 3mug s LEU 91 CO -0.03 -0.08 0.21 -0.89 -1.32 0.00 0.00 176.35 174.23 3mug s THR 92 N -1.67 4.66 -1.17 3.68 2.01 -0.10 -4.42 115.64 118.63 3mug s THR 92 Ca 0.50 -1.19 0.10 0.00 0.31 0.00 0.00 61.69 61.42 3mug s THR 92 Cb -0.17 -3.47 0.12 0.00 0.01 0.00 0.00 72.50 68.99 3mug s THR 92 CO 0.22 -0.26 1.29 -0.90 -0.69 0.00 0.00 174.62 174.29 3mug n ASP 93 N -0.92 0.00 -1.09 3.53 5.75 -0.29 -1.57 116.55 121.95 3mug n ASP 93 Ca -0.08 0.36 0.12 0.00 -0.01 0.00 0.00 54.79 55.17 3mug n ASP 93 Cb 0.56 -0.42 0.19 0.00 -1.03 0.00 0.00 41.12 40.42 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 -1.42 2.43 -1.25 0.11 1.74 -1.26 -4.96 116.66 112.06 3mug n ARG 94 Ca 0.03 -2.19 -0.08 0.00 -0.77 0.00 0.00 57.85 54.84 3mug n ARG 94 Cb 0.11 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 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 1.44 -3.92 -4.71 0.55 7.64 -0.61 -5.05 113.62 108.96 3mug n SER 95 Ca 0.18 0.19 -0.24 0.00 1.01 0.00 0.00 58.87 60.01 3mug n SER 95 Cb 0.60 -2.15 0.10 0.00 -1.01 0.00 0.00 64.21 61.75 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 -2.30 1.87 -0.01 1.43 3.76 -1.26 -4.84 115.29 113.95 3mug s HIS 95 Ca 0.00 -0.15 0.07 0.00 -0.15 0.00 0.00 55.06 54.83 3mug s HIS 95 Cb 0.00 -3.03 -0.02 0.00 1.11 0.00 0.00 32.58 30.64 3mug s HIS 95 CO 0.00 -1.62 -0.22 1.03 -0.85 0.00 0.00 174.74 173.08 3mug s ARG 96 N -5.14 1.75 -0.06 1.40 3.00 -1.26 -0.93 118.95 117.72 3mug s ARG 96 Ca 0.65 -0.81 0.01 0.00 0.00 0.00 0.00 55.73 55.57 3mug s ARG 96 Cb -0.06 -1.72 0.02 0.00 0.00 0.00 0.00 34.95 33.19 3mug s ARG 96 CO 0.44 0.47 -0.06 -1.50 0.00 0.00 0.00 175.30 174.65 3mug s ILE 97 N -0.55 0.69 0.22 1.52 2.07 0.42 -4.96 121.20 120.60 3mug s ILE 97 Ca 0.09 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.16 3mug s ILE 97 Cb -0.09 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 3mug s ILE 97 CO -0.00 0.27 0.38 -0.36 -1.91 0.00 0.00 174.94 173.32 3mug s PHE 98 N 1.04 3.48 0.70 3.50 0.08 -1.26 -0.60 117.98 124.92 3mug s PHE 98 Ca -0.09 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.11 3mug s PHE 98 Cb -0.14 -1.75 0.07 0.00 -0.57 0.00 0.00 43.02 40.63 3mug s PHE 98 CO -0.00 0.38 1.00 0.20 -0.10 0.00 0.00 175.22 176.70 3mug s GLY 99 N -3.52 1.71 0.52 4.36 0.00 -0.65 -1.93 107.32 107.82 3mug s GLY 99 Ca 0.37 -1.05 0.31 0.00 0.00 0.00 0.00 44.72 44.35 3mug s GLY 99 CO 0.30 -0.62 1.96 -1.33 0.00 0.00 0.00 173.10 173.41 3mug h GLY 100 N -0.58 0.00 0.00 0.20 0.00 -1.85 -3.45 103.07 97.39 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 0.57 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.72 3mug n GLY 101 N -0.04 2.37 2.95 4.60 0.00 -1.26 -5.05 105.19 108.76 3mug n GLY 101 Ca 0.00 -1.74 -0.25 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 -1.98 0.98 -0.16 2.61 2.01 -0.46 -4.38 115.64 114.26 3mug s THR 102 Ca 0.00 -0.33 -0.27 0.00 0.31 0.00 0.00 61.69 61.40 3mug s THR 102 Cb 0.00 -0.95 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3mug s THR 102 CO 0.00 0.34 0.90 -0.75 -0.69 0.00 0.00 174.62 174.42 3mug s LYS 103 N 1.13 4.32 -0.28 4.92 2.20 -0.18 -0.76 119.74 131.10 3mug s LYS 103 Ca -0.06 1.15 -0.10 0.00 -0.36 0.00 0.00 55.97 56.60 3mug s LYS 103 Cb -0.14 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3mug s LYS 103 CO -0.01 -0.36 0.16 0.08 -0.36 0.00 0.00 175.35 174.86 3mug s VAL 104 N 2.24 4.99 -0.02 4.02 1.01 0.60 -1.35 120.40 131.89 3mug s VAL 104 Ca 0.42 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.45 3mug s VAL 104 Cb -0.17 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3mug s VAL 104 CO 0.13 0.22 -0.23 -0.89 0.00 0.00 0.00 175.10 174.34 3mug s THR 105 N 1.70 2.35 -0.56 3.92 2.01 -0.86 -2.67 115.64 121.53 3mug s THR 105 Ca 0.06 -1.05 -0.13 0.00 0.31 0.00 0.00 61.69 60.88 3mug s THR 105 Cb -0.16 -1.86 0.14 0.00 0.01 0.00 0.00 72.50 70.63 3mug s THR 105 CO 0.09 0.54 0.48 -0.69 -0.69 0.00 0.00 174.62 174.35 3mug s VAL 106 N -0.68 4.92 -0.31 3.82 1.01 -1.26 -2.34 120.40 125.55 3mug s VAL 106 Ca 0.11 -1.74 -0.40 0.00 0.00 0.00 0.00 61.98 59.94 3mug s VAL 106 Cb -0.10 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 31.96 3mug s VAL 106 CO 0.00 -0.86 1.77 0.18 0.00 0.00 0.00 175.10 176.19 3mug n LEU 106 N 4.95 2.27 -0.50 3.92 4.77 -0.22 -4.89 117.00 127.29 3mug n LEU 106 Ca -0.08 1.04 0.07 0.00 -0.03 0.00 0.00 56.01 57.00 3mug n LEU 106 Cb 0.41 -1.12 0.04 0.00 -2.33 0.00 0.00 43.42 40.42 3mug n LEU 106 CO 0.48 -0.47 0.42 0.61 -1.33 0.00 0.00 177.39 177.09 3mug n GLY 107 N 4.41 -0.04 3.47 -0.72 0.00 -1.26 -4.83 105.19 106.21 3mug n GLY 107 Ca 0.28 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.30 1.05 0.59 1.61 -2.07 -1.26 -5.16 119.66 113.11 3mug s GLN 108 Ca 0.15 -0.32 -0.18 0.00 -1.82 0.00 0.00 55.36 53.20 3mug s GLN 108 Cb 0.12 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 3mug s GLN 108 CO 0.22 -0.45 1.12 -1.25 -1.32 0.00 0.00 175.29 173.61 3mug s PRO 109 N -3.19 3.16 0.53 9.60 0.05 -1.26 -4.96 135.00 138.93 3mug s PRO 109 Ca 0.02 1.51 -0.22 0.00 0.05 0.00 0.00 61.00 62.36 3mug s PRO 109 Cb -0.01 -1.99 -0.06 0.00 0.05 0.00 0.00 34.50 32.49 3mug s PRO 109 CO -0.09 -0.98 1.17 1.63 0.05 0.00 0.00 177.00 178.78 3mug n LYS 110 N -1.73 1.42 -4.35 4.56 5.02 -1.26 -4.90 118.16 116.92 3mug n LYS 110 Ca 0.11 0.52 -0.26 0.00 -2.02 0.00 0.00 58.31 56.66 3mug n LYS 110 Cb 0.51 -2.34 -0.17 0.00 -0.02 0.00 0.00 35.03 33.02 3mug n LYS 110 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mug s ALA 111 N -1.34 1.35 0.57 7.82 0.00 -0.50 -4.93 121.76 124.73 3mug s ALA 111 Ca 0.70 -0.51 -0.15 0.00 0.00 0.00 0.00 51.96 52.00 3mug s ALA 111 Cb -0.45 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3mug s ALA 111 CO 0.51 -0.08 1.02 0.00 0.00 0.00 0.00 175.76 177.21 3mug s ALA 112 N 1.04 2.91 0.53 0.00 0.00 -1.26 -1.42 121.76 123.56 3mug s ALA 112 Ca -0.07 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3mug s ALA 112 Cb -0.15 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 3mug s ALA 112 CO -0.01 -0.57 1.01 -1.25 0.00 0.00 0.00 175.76 174.94 3mug s PRO 113 N -4.20 3.77 -0.23 0.00 0.04 -1.26 -4.37 135.00 128.75 3mug s PRO 113 Ca 0.61 1.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 3mug s PRO 113 Cb -0.13 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3mug s PRO 113 CO 0.37 -0.42 0.18 -1.12 0.04 0.00 0.00 177.00 176.04 3mug s SER 114 N -2.90 6.16 -0.16 6.66 0.01 0.11 -4.91 113.70 118.67 3mug s SER 114 Ca 0.61 0.17 -0.01 0.00 1.31 0.00 0.00 55.95 58.02 3mug s SER 114 Cb -0.12 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 3mug s SER 114 CO 0.32 0.06 -0.11 -0.69 0.41 0.00 0.00 173.24 173.23 3mug s VAL 115 N 1.00 3.05 -0.16 3.43 1.01 -1.26 -1.05 120.40 126.42 3mug s VAL 115 Ca 0.09 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3mug s VAL 115 Cb -0.13 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3mug s VAL 115 CO 0.04 0.50 -0.17 -0.89 0.00 0.00 0.00 175.10 174.58 3mug s THR 116 N 0.74 1.81 -0.22 3.92 2.01 0.32 -4.97 115.64 119.26 3mug s THR 116 Ca -0.05 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.13 3mug s THR 116 Cb -0.15 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3mug s THR 116 CO 0.02 0.50 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.19 3mug s LEU 117 N 1.38 2.98 -0.16 4.42 2.96 -1.26 0.00 118.68 129.00 3mug s LEU 117 Ca 0.05 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3mug s LEU 117 Cb -0.13 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 3mug s LEU 117 CO -0.12 0.00 0.06 -0.36 -1.32 0.00 0.00 176.35 174.61 3mug s PHE 118 N 1.36 3.26 0.85 5.38 0.40 0.90 -4.98 117.98 125.16 3mug s PHE 118 Ca 0.04 0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.36 3mug s PHE 118 Cb -0.14 -2.02 0.11 0.00 0.51 0.00 0.00 43.02 41.48 3mug s PHE 118 CO -0.02 0.25 1.21 -1.25 0.70 0.00 0.00 175.22 176.12 3mug s PRO 119 N 0.06 1.60 0.42 0.24 0.04 -1.26 -1.65 135.00 134.45 3mug s PRO 119 Ca 0.05 -0.01 -0.26 0.00 0.04 0.00 0.00 61.00 60.81 3mug s PRO 119 Cb -0.12 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 3mug s PRO 119 CO 0.01 -1.82 1.43 -2.14 0.04 0.00 0.00 177.00 174.51 3mug s PRO 120 N -5.65 3.87 0.60 0.56 0.02 -1.19 -4.81 135.00 128.40 3mug s PRO 120 Ca 0.65 2.43 -0.15 0.00 0.02 0.00 0.00 61.00 63.95 3mug s PRO 120 Cb -0.09 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 3mug s PRO 120 CO 0.50 -0.67 1.05 -1.54 -0.33 0.00 0.00 177.00 176.01 3mug s SER 121 N -0.42 5.84 0.47 2.53 1.04 -1.26 -4.93 113.70 116.97 3mug s SER 121 Ca 0.58 1.76 0.20 0.00 0.48 0.00 0.00 55.95 58.97 3mug s SER 121 Cb -0.44 -2.52 1.14 0.00 0.10 0.00 0.00 66.02 64.30 3mug s SER 121 CO 0.57 -1.13 1.99 0.77 0.98 0.00 0.00 173.24 176.42 3mug h SER 122 N 0.35 0.00 -0.49 7.02 4.64 -1.99 -2.03 113.55 121.06 3mug h SER 122 Ca -0.46 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 3mug h SER 122 Cb 1.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3mug h SER 122 CO 0.58 0.20 0.04 -0.33 -0.87 0.00 0.00 176.83 176.44 3mug h GLU 123 N 0.00 0.83 -0.35 4.77 5.08 -1.99 -2.09 114.58 120.83 3mug h GLU 123 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3mug h GLU 123 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3mug h GLU 123 CO 0.03 0.86 -0.08 1.49 -1.00 0.00 0.00 179.01 180.30 3mug h GLU 124 N 0.70 0.67 -0.73 2.33 4.81 -1.73 -2.80 114.58 117.83 3mug h GLU 124 Ca 0.14 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3mug h GLU 124 Cb 0.46 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3mug h GLU 124 CO 0.02 0.84 0.48 -0.07 -0.73 0.00 0.00 179.01 179.55 3mug h LEU 125 N 0.46 0.80 -0.76 1.64 3.38 -1.20 -0.13 115.31 119.50 3mug h LEU 125 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mug h LEU 125 Cb 0.59 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3mug h LEU 125 CO 0.03 0.56 0.00 1.56 0.09 0.00 0.00 178.44 180.69 3mug h GLN 126 N 0.94 0.00 -0.49 1.13 1.08 -1.29 -2.19 115.11 114.29 3mug h GLN 126 Ca 0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.48 3mug h GLN 126 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 3mug h GLN 126 CO -0.07 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.81 3mug n ALA 127 N -1.93 2.42 -3.21 3.87 0.00 -0.11 -4.93 120.51 116.61 3mug n ALA 127 Ca 0.02 -0.88 -0.21 0.00 0.00 0.00 0.00 53.44 52.38 3mug n ALA 127 Cb 0.33 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 0.98 -5.79 -4.12 0.00 5.15 -0.82 -5.02 115.26 105.63 3mug n ASN 128 Ca 0.17 -0.37 -0.10 0.00 -0.60 0.00 0.00 54.58 53.69 3mug n ASN 128 Cb 0.43 -4.51 -0.10 0.00 -0.53 0.00 0.00 39.78 35.07 3mug n ASN 128 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mug s LYS 129 N -5.88 0.69 -0.17 1.20 1.02 -0.91 -4.64 119.74 111.05 3mug s LYS 129 Ca 0.40 -1.19 -0.09 0.00 0.02 0.00 0.00 55.97 55.12 3mug s LYS 129 Cb -0.18 -0.06 0.06 0.00 -0.52 0.00 0.00 37.83 37.14 3mug s LYS 129 CO 0.49 -0.04 0.41 0.00 -0.92 0.00 0.00 175.35 175.29 3mug s ALA 130 N -3.33 -1.06 -0.03 5.17 0.00 -1.07 -2.77 121.76 118.68 3mug s ALA 130 Ca 0.06 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 3mug s ALA 130 Cb 0.03 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3mug s ALA 130 CO -0.06 -0.33 0.04 0.99 0.00 0.00 0.00 175.76 176.40 3mug s THR 131 N 1.57 -0.07 -0.17 0.00 2.01 -1.26 -1.14 115.64 116.58 3mug s THR 131 Ca -0.08 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 3mug s THR 131 Cb -0.09 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.25 3mug s THR 131 CO -0.13 0.13 0.27 -0.76 -0.69 0.00 0.00 174.62 173.44 3mug s LEU 132 N 1.56 4.23 -0.21 4.42 1.43 -0.56 -3.17 118.68 126.38 3mug s LEU 132 Ca -0.03 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 3mug s LEU 132 Cb -0.13 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.79 3mug s LEU 132 CO -0.03 0.10 -0.14 -0.69 0.23 0.00 0.00 176.35 175.82 3mug s VAL 133 N 0.49 2.35 -0.30 -1.59 1.01 -0.66 -1.88 120.40 119.82 3mug s VAL 133 Ca 0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3mug s VAL 133 Cb -0.13 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3mug s VAL 133 CO 0.03 0.34 0.06 0.00 0.00 0.00 0.00 175.10 175.53 3mug s LEU 135 N 1.42 3.62 -0.23 0.00 1.43 0.10 -1.62 118.68 123.40 3mug s LEU 135 Ca 0.00 -0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3mug s LEU 135 Cb -0.18 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.08 3mug s LEU 135 CO 0.01 0.02 -0.04 -0.63 0.23 0.00 0.00 176.35 175.95 3mug s ILE 136 N 1.27 3.36 0.13 -0.59 1.01 -0.07 -0.52 121.20 125.79 3mug s ILE 136 Ca 0.05 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.14 3mug s ILE 136 Cb -0.15 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 3mug s ILE 136 CO 0.04 0.38 0.02 -0.94 0.00 0.00 0.00 174.94 174.44 3mug s SER 137 N 1.47 0.62 -1.43 3.58 1.04 -0.22 -0.29 113.70 118.46 3mug s SER 137 Ca 0.05 -1.16 -0.11 0.00 0.48 0.00 0.00 55.95 55.21 3mug s SER 137 Cb -0.15 0.22 0.04 0.00 0.10 0.00 0.00 66.02 66.24 3mug s SER 137 CO -0.03 -0.66 1.10 0.47 0.98 0.00 0.00 173.24 175.11 3mug n ASP 138 N -0.10 -5.76 -4.77 7.02 8.00 -0.22 -0.71 116.55 120.00 3mug n ASP 138 Ca -0.07 -0.64 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 3mug n ASP 138 Cb 0.63 -4.56 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 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 -3.31 3.07 -0.18 1.24 -0.12 -0.80 -4.48 117.98 113.40 3mug s PHE 139 Ca 0.62 -0.06 -0.09 0.00 -0.05 0.00 0.00 56.93 57.35 3mug s PHE 139 Cb -0.29 -1.45 0.06 0.00 -0.63 0.00 0.00 43.02 40.71 3mug s PHE 139 CO 0.77 0.52 0.41 -0.47 -0.05 0.00 0.00 175.22 176.41 3mug s TYR 140 N -1.84 -0.64 0.82 3.49 5.04 -0.51 0.51 117.35 124.22 3mug s TYR 140 Ca 0.31 1.34 -0.10 0.00 -2.44 0.00 0.00 57.07 56.17 3mug s TYR 140 Cb -0.09 0.27 0.08 0.00 0.35 0.00 0.00 41.96 42.58 3mug s TYR 140 CO 0.23 -0.37 1.11 -2.14 -1.34 0.00 0.00 175.55 173.03 3mug s PRO 141 N 1.63 1.88 -1.16 4.97 0.02 -1.26 -1.40 135.00 139.67 3mug s PRO 141 Ca -0.08 1.27 -0.09 0.00 0.02 0.00 0.00 61.00 62.12 3mug s PRO 141 Cb -0.09 -1.85 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 3mug s PRO 141 CO -0.13 -1.94 2.37 0.41 -0.33 0.00 0.00 177.00 177.38 3mug n GLY 142 N -0.81 3.51 3.61 0.52 0.00 -1.26 -4.77 105.19 106.00 3mug n GLY 142 Ca 0.10 -1.14 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 3.15 -1.87 0.07 4.61 0.00 -1.26 -4.71 121.76 121.75 3mug s ALA 143 Ca 0.51 2.32 0.01 0.00 0.00 0.00 0.00 51.96 54.80 3mug s ALA 143 Cb 0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3mug s ALA 143 CO -0.03 -0.56 -0.05 0.14 0.00 0.00 0.00 175.76 175.25 3mug s VAL 144 N 2.07 0.50 -0.19 0.00 -7.23 -1.26 -4.45 120.40 109.83 3mug s VAL 144 Ca -0.08 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.30 3mug s VAL 144 Cb -0.08 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3mug s VAL 144 CO -0.19 -0.84 -0.04 0.28 -0.31 0.00 0.00 175.10 174.00 3mug s THR 145 N -3.36 3.66 -0.23 5.32 -1.32 -0.12 -4.85 115.64 114.74 3mug s THR 145 Ca 0.06 -0.42 -0.04 0.00 -1.21 0.00 0.00 61.69 60.08 3mug s THR 145 Cb 0.04 -2.63 -0.01 0.00 -1.51 0.00 0.00 72.50 68.38 3mug s THR 145 CO -0.06 0.45 -0.03 -0.69 -2.21 0.00 0.00 174.62 172.09 3mug s VAL 146 N 0.92 3.47 -0.04 5.08 1.01 -1.26 -0.55 120.40 129.03 3mug s VAL 146 Ca -0.00 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.55 3mug s VAL 146 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 3mug s VAL 146 CO 0.01 0.40 -0.22 0.00 0.00 0.00 0.00 175.10 175.29 3mug s ALA 147 N 1.49 1.88 -0.02 5.51 0.00 0.08 -4.98 121.76 125.72 3mug s ALA 147 Ca 0.06 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3mug s ALA 147 Cb -0.14 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.37 3mug s ALA 147 CO -0.02 0.38 -0.02 -1.58 0.00 0.00 0.00 175.76 174.52 3mug s TRP 148 N -0.19 3.05 -0.02 0.00 0.52 -1.26 -0.01 118.94 121.03 3mug s TRP 148 Ca -0.01 0.08 0.03 0.00 0.02 0.00 0.00 56.10 56.22 3mug s TRP 148 Cb -0.12 -1.69 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 3mug s TRP 148 CO 0.02 0.44 -0.10 0.15 0.02 0.00 0.00 176.95 177.48 3mug s LYS 149 N -1.33 1.03 -0.35 4.98 1.02 -0.52 -1.21 119.74 123.37 3mug s LYS 149 Ca 0.17 -0.35 -0.10 0.00 0.02 0.00 0.00 55.97 55.71 3mug s LYS 149 Cb -0.11 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.25 3mug s LYS 149 CO 0.07 0.15 0.18 0.00 -0.92 0.00 0.00 175.35 174.83 3mug s ALA 150 N 0.10 3.26 0.00 5.17 0.00 0.23 -0.64 121.76 129.88 3mug s ALA 150 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3mug s ALA 150 Cb -0.08 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.56 3mug s ALA 150 CO 0.00 -1.18 0.00 -0.25 0.00 0.00 0.00 175.76 174.34 3mug n ASP 151 N 4.98 0.00 -0.00 0.00 8.00 0.32 -2.15 116.55 127.69 3mug n ASP 151 Ca -0.13 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.43 3mug n ASP 151 Cb 0.47 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 3mug n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mug n SER 152 N 11.32 2.63 -4.75 -2.24 3.41 -1.26 -4.73 113.62 118.00 3mug n SER 152 Ca 0.00 -0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.20 3mug n SER 152 Cb 0.00 1.47 -0.05 0.00 -0.26 0.00 0.00 64.21 65.37 3mug n SER 152 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mug s SER 153 N -3.19 7.55 0.54 4.04 1.04 -0.92 -4.97 113.70 117.79 3mug s SER 153 Ca -0.04 1.98 -0.18 0.00 0.48 0.00 0.00 55.95 58.19 3mug s SER 153 Cb 0.07 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 3mug s SER 153 CO 0.43 0.06 1.03 -2.16 0.98 0.00 0.00 173.24 173.58 3mug s PRO 154 N -0.98 3.65 -0.16 4.02 0.04 -1.26 -0.61 135.00 139.70 3mug s PRO 154 Ca 0.43 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 3mug s PRO 154 Cb -0.27 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.23 3mug s PRO 154 CO 0.33 -0.54 -0.07 0.14 0.04 0.00 0.00 177.00 176.90 3mug s VAL 155 N -2.34 1.22 -0.06 -0.36 -7.23 -0.35 -4.78 120.40 106.51 3mug s VAL 155 Ca 0.64 -0.64 0.20 0.00 -1.81 0.00 0.00 61.98 60.37 3mug s VAL 155 Cb -0.14 -1.33 -0.31 0.00 0.56 0.00 0.00 36.38 35.16 3mug s VAL 155 CO 0.29 0.20 0.38 0.29 -0.31 0.00 0.00 175.10 175.95 3mug n LYS 156 N 4.85 0.67 -2.65 4.82 5.02 -1.26 -4.39 118.16 125.22 3mug n LYS 156 Ca -0.13 -0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.61 3mug n LYS 156 Cb 0.48 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.94 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 -3.26 3.31 -0.07 7.82 0.00 -1.26 -3.71 121.76 124.59 3mug s ALA 157 Ca -0.08 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.58 3mug s ALA 157 Cb 0.12 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.99 3mug s ALA 157 CO 0.85 0.05 0.00 0.41 0.00 0.00 0.00 175.76 177.06 3mug n GLY 158 N 1.11 0.44 3.73 0.00 0.00 -1.26 -4.87 105.19 104.35 3mug n GLY 158 Ca -0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.85 5.32 -0.10 1.61 1.01 -1.24 -1.58 120.40 123.57 3mug s VAL 159 Ca 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 61.98 62.46 3mug s VAL 159 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.81 3mug s VAL 159 CO 0.00 0.40 0.01 -1.61 0.00 0.00 0.00 175.10 173.90 3mug s GLU 160 N 0.43 0.60 -0.05 2.72 0.41 -0.62 -4.99 118.70 117.20 3mug s GLU 160 Ca 0.15 -0.02 0.06 0.00 -0.41 0.00 0.00 54.97 54.76 3mug s GLU 160 Cb -0.13 -1.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.95 3mug s GLU 160 CO 0.03 -0.39 -0.24 0.99 -0.49 0.00 0.00 175.26 175.16 3mug s THR 161 N 1.95 1.94 0.58 3.63 2.01 -1.26 -0.08 115.64 124.41 3mug s THR 161 Ca 0.04 -1.01 -0.08 0.00 0.31 0.00 0.00 61.69 60.94 3mug s THR 161 Cb -0.13 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 3mug s THR 161 CO -0.06 0.54 0.94 0.42 -0.69 0.00 0.00 174.62 175.77 3mug s THR 162 N -0.22 4.50 0.11 -0.82 -4.23 0.01 -4.99 115.64 109.99 3mug s THR 162 Ca -0.01 0.49 -0.30 0.00 -1.18 0.00 0.00 61.69 60.69 3mug s THR 162 Cb -0.13 -3.77 -0.06 0.00 1.34 0.00 0.00 72.50 69.89 3mug s THR 162 CO 0.03 -0.90 0.99 -0.89 -0.54 0.00 0.00 174.62 173.30 3mug s THR 163 N -3.03 4.44 0.34 3.99 2.01 -1.26 -4.61 115.64 117.53 3mug s THR 163 Ca 0.53 2.00 -0.29 0.00 0.31 0.00 0.00 61.69 64.23 3mug s THR 163 Cb -0.11 -4.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.01 3mug s THR 163 CO 0.50 0.29 1.50 -2.65 -0.69 0.00 0.00 174.62 173.56 3mug n PRO 164 N 2.88 2.61 -5.06 4.92 -0.02 -1.26 -4.86 135.00 134.21 3mug n PRO 164 Ca 0.03 0.92 -0.28 0.00 -2.02 0.00 0.00 63.50 62.14 3mug n PRO 164 Cb 0.49 -2.65 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.06 2.59 0.13 2.55 1.04 -0.65 -4.92 113.70 114.50 3mug s SER 165 Ca 0.57 -0.42 -0.31 0.00 0.48 0.00 0.00 55.95 56.27 3mug s SER 165 Cb -0.50 -0.59 -0.10 0.00 0.10 0.00 0.00 66.02 64.94 3mug s SER 165 CO 0.58 0.22 1.68 -0.75 0.98 0.00 0.00 173.24 175.96 3mug s LYS 166 N -0.20 4.18 0.73 4.02 2.20 -1.26 -2.07 119.74 127.34 3mug s LYS 166 Ca -0.00 2.44 -0.05 0.00 -0.36 0.00 0.00 55.97 58.01 3mug s LYS 166 Cb -0.11 -3.40 0.11 0.00 -1.51 0.00 0.00 37.83 32.91 3mug s LYS 166 CO 0.02 -0.73 1.02 -0.65 -0.36 0.00 0.00 175.35 174.65 3mug s GLN 167 N 2.06 1.78 0.60 4.03 -0.21 0.93 -4.94 119.66 123.91 3mug s GLN 167 Ca 0.75 -0.71 0.31 0.00 0.02 0.00 0.00 55.36 55.73 3mug s GLN 167 Cb -0.44 -2.23 1.81 0.00 1.00 0.00 0.00 33.01 33.16 3mug s GLN 167 CO 0.33 -1.44 2.19 0.77 -2.12 0.00 0.00 175.29 175.02 3mug h SER 168 N -0.64 0.00 -0.39 5.90 0.02 -1.96 -1.12 113.55 115.36 3mug h SER 168 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3mug h SER 168 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3mug h SER 168 CO 0.47 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.70 3mug n ASN 170 N -3.70 2.71 0.00 3.07 0.23 -1.26 -4.95 115.26 111.36 3mug n ASN 170 Ca -0.01 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3mug n ASN 170 Cb 0.20 -0.25 0.00 0.00 -2.08 0.00 0.00 39.78 37.64 3mug n ASN 170 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3mug n ASN 171 N 0.99 -2.41 -4.97 0.53 5.15 -0.42 -5.01 115.26 109.11 3mug n ASN 171 Ca 0.18 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.94 3mug n ASN 171 Cb 0.46 -1.59 0.04 0.00 -0.53 0.00 0.00 39.78 38.16 3mug n ASN 171 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mug s LYS 172 N -0.74 2.52 0.26 1.20 1.02 -1.26 -4.76 119.74 117.98 3mug s LYS 172 Ca 0.00 -0.69 0.10 0.00 0.02 0.00 0.00 55.97 55.40 3mug s LYS 172 Cb 0.00 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 3mug s LYS 172 CO 0.00 -0.77 -0.02 0.71 -0.92 0.00 0.00 175.35 174.35 3mug s TYR 173 N -2.83 2.67 0.02 3.18 2.02 0.18 -0.05 117.35 122.55 3mug s TYR 173 Ca 0.57 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 3mug s TYR 173 Cb -0.10 -1.19 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 3mug s TYR 173 CO 0.39 0.62 -0.03 0.00 -1.57 0.00 0.00 175.55 174.97 3mug s ALA 174 N -2.30 0.15 0.21 3.71 0.00 -0.88 -1.06 121.76 121.59 3mug s ALA 174 Ca 0.31 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 3mug s ALA 174 Cb -0.06 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3mug s ALA 174 CO 0.19 -0.10 0.31 0.00 0.00 0.00 0.00 175.76 176.17 3mug s ALA 175 N -1.08 0.26 -0.06 0.00 0.00 0.60 -1.64 121.76 119.84 3mug s ALA 175 Ca -0.11 -1.14 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 3mug s ALA 175 Cb -0.07 1.10 0.02 0.00 0.00 0.00 0.00 23.12 24.17 3mug s ALA 175 CO -0.01 -0.71 0.28 -1.54 0.00 0.00 0.00 175.76 173.78 3mug s SER 176 N -3.05 -0.22 -0.01 0.00 1.04 -1.26 -0.89 113.70 109.31 3mug s SER 176 Ca 0.26 0.30 0.03 0.00 0.48 0.00 0.00 55.95 57.02 3mug s SER 176 Cb 0.03 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3mug s SER 176 CO 0.07 -0.27 -0.08 -0.55 0.98 0.00 0.00 173.24 173.39 3mug s SER 177 N -0.60 1.00 -0.04 7.02 0.15 -0.64 -0.81 113.70 119.78 3mug s SER 177 Ca -0.07 -0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.48 3mug s SER 177 Cb -0.04 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 3mug s SER 177 CO 0.02 0.10 -0.19 -0.31 1.20 0.00 0.00 173.24 174.06 3mug s TYR 178 N -0.15 1.78 -0.29 3.44 1.51 0.89 -1.09 117.35 123.44 3mug s TYR 178 Ca 0.02 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 3mug s TYR 178 Cb -0.04 -1.18 0.07 0.00 -0.11 0.00 0.00 41.96 40.70 3mug s TYR 178 CO -0.00 -0.13 -0.03 -1.17 -1.11 0.00 0.00 175.55 173.11 3mug s LEU 179 N -0.14 3.92 -0.09 -1.29 2.96 -0.79 -1.59 118.68 121.66 3mug s LEU 179 Ca -0.00 -1.55 -0.21 0.00 -0.22 0.00 0.00 54.13 52.14 3mug s LEU 179 Cb -0.10 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 3mug s LEU 179 CO 0.01 -0.27 0.62 -0.44 -1.32 0.00 0.00 176.35 174.95 3mug s SER 180 N 1.14 6.87 0.21 3.68 0.01 -0.61 -1.49 113.70 123.51 3mug s SER 180 Ca -0.03 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.28 3mug s SER 180 Cb -0.20 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.62 3mug s SER 180 CO -0.05 -0.07 0.09 -0.76 0.41 0.00 0.00 173.24 172.86 3mug s LEU 181 N 0.74 1.56 0.36 2.44 1.43 -0.29 -4.68 118.68 120.24 3mug s LEU 181 Ca 0.33 -1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 52.02 3mug s LEU 181 Cb -0.17 0.17 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 3mug s LEU 181 CO 0.15 -0.74 0.69 0.42 0.23 0.00 0.00 176.35 177.09 3mug s THR 182 N -3.91 4.88 0.59 5.49 -4.23 -1.26 -2.58 115.64 114.62 3mug s THR 182 Ca 0.34 0.37 0.29 0.00 -1.18 0.00 0.00 61.69 61.51 3mug s THR 182 Cb 0.07 -3.74 0.35 0.00 1.34 0.00 0.00 72.50 70.52 3mug s THR 182 CO 0.10 -0.46 2.18 -0.65 -0.54 0.00 0.00 174.62 175.25 3mug h PRO 183 N 1.35 0.00 -0.15 3.99 0.11 -1.82 -2.55 132.00 132.93 3mug h PRO 183 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 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 -0.10 0.93 -0.21 0.00 0.00 178.00 179.27 3mug h GLU 184 N 0.00 0.33 -0.53 1.05 3.07 -1.98 -2.71 114.58 113.81 3mug h GLU 184 Ca 0.04 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 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 0.68 0.35 1.96 -1.40 0.00 0.00 179.01 180.59 3mug h GLN 185 N -0.02 0.70 -0.80 2.33 4.20 -1.85 -1.57 115.11 118.10 3mug h GLN 185 Ca 0.03 -0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.76 3mug h GLN 185 Cb 0.59 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.16 3mug h GLN 185 CO 0.03 0.46 0.48 2.35 -0.67 0.00 0.00 178.83 181.48 3mug h TRP 186 N 0.71 0.89 0.00 2.96 2.91 -1.49 -2.17 115.95 119.76 3mug h TRP 186 Ca 0.19 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.24 3mug h TRP 186 Cb -0.08 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.29 3mug h TRP 186 CO -0.04 0.45 -0.32 1.63 -1.03 0.00 0.00 178.44 179.13 3mug n LYS 187 N -4.67 0.27 0.18 2.65 5.02 -1.03 -4.00 118.16 116.58 3mug n LYS 187 Ca 0.11 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.59 3mug n LYS 187 Cb 0.18 -1.73 0.31 0.00 -0.02 0.00 0.00 35.03 33.77 3mug n LYS 187 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3mug h SER 188 N 0.00 0.00 -2.71 4.39 0.02 -0.60 -3.45 113.55 111.19 3mug h SER 188 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 3mug h SER 188 Cb 0.73 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.18 3mug h SER 188 CO 0.00 0.40 -0.61 -1.00 -1.14 0.00 0.00 176.83 174.48 3mug s HIS 189 N -3.60 2.97 0.25 3.45 3.76 -1.22 -5.04 115.29 115.85 3mug s HIS 189 Ca -0.00 -0.09 0.08 0.00 -0.15 0.00 0.00 55.06 54.90 3mug s HIS 189 Cb 0.11 -1.42 0.27 0.00 1.11 0.00 0.00 32.58 32.65 3mug s HIS 189 CO 0.70 0.53 1.56 1.57 -0.85 0.00 0.00 174.74 178.24 3mug h LYS 190 N 2.44 0.08 -3.27 1.40 -0.00 -1.89 -3.43 116.57 111.89 3mug h LYS 190 Ca -0.47 -0.06 0.01 0.00 -0.00 0.00 0.00 60.65 60.13 3mug h LYS 190 Cb 1.21 0.01 -0.08 0.00 -0.00 0.00 0.00 32.23 33.37 3mug h LYS 190 CO 0.60 0.70 0.08 -1.54 -0.00 0.00 0.00 179.45 179.30 3mug s SER 191 N -6.86 -0.21 -0.00 7.07 1.04 -1.26 -4.32 113.70 109.15 3mug s SER 191 Ca -0.02 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.75 3mug s SER 191 Cb 0.12 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.89 3mug s SER 191 CO 0.78 -1.21 -0.02 -0.31 0.98 0.00 0.00 173.24 173.46 3mug s TYR 192 N -3.94 0.18 0.04 5.02 1.51 -0.23 -0.52 117.35 119.41 3mug s TYR 192 Ca 0.14 -0.03 0.06 0.00 -1.01 0.00 0.00 57.07 56.22 3mug s TYR 192 Cb -0.03 -0.12 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 3mug s TYR 192 CO 0.05 -0.00 -0.16 -1.12 -1.11 0.00 0.00 175.55 173.21 3mug s SER 193 N -0.04 1.91 -0.25 2.29 0.01 0.19 -1.37 113.70 116.45 3mug s SER 193 Ca 0.01 -0.47 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3mug s SER 193 Cb -0.01 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.10 3mug s SER 193 CO -0.00 0.08 -0.04 0.00 0.41 0.00 0.00 173.24 173.69 3mug s GLN 195 N 1.37 3.32 -0.19 0.00 0.74 0.99 -1.80 119.66 124.09 3mug s GLN 195 Ca 0.02 -0.67 -0.02 0.00 0.05 0.00 0.00 55.36 54.74 3mug s GLN 195 Cb -0.16 -3.09 -0.00 0.00 1.10 0.00 0.00 33.01 30.86 3mug s GLN 195 CO -0.04 -0.25 -0.11 0.08 -0.55 0.00 0.00 175.29 174.43 3mug s VAL 196 N 1.48 2.93 -0.18 1.34 1.01 0.61 -0.74 120.40 126.87 3mug s VAL 196 Ca 0.05 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 3mug s VAL 196 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3mug s VAL 196 CO -0.02 0.48 -0.01 -0.89 0.00 0.00 0.00 175.10 174.66 3mug s THR 197 N 1.17 4.02 -0.11 3.92 2.01 0.29 -1.40 115.64 125.54 3mug s THR 197 Ca 0.01 -0.30 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 3mug s THR 197 Cb -0.14 -2.79 0.05 0.00 0.01 0.00 0.00 72.50 69.63 3mug s THR 197 CO -0.04 0.46 0.13 -2.28 -0.69 0.00 0.00 174.62 172.21 3mug s HIS 198 N 0.63 -0.06 -1.22 4.92 2.46 -0.11 -0.94 115.29 120.97 3mug s HIS 198 Ca -0.01 0.29 -0.19 0.00 0.47 0.00 0.00 55.06 55.63 3mug s HIS 198 Cb -0.14 -0.41 0.00 0.00 -0.13 0.00 0.00 32.58 31.90 3mug s HIS 198 CO 0.02 -0.35 0.68 0.39 -2.47 0.00 0.00 174.74 173.02 3mug n GLU 199 N 5.31 -1.50 0.00 2.88 -0.58 -1.26 -1.84 120.64 123.65 3mug n GLU 199 Ca -0.05 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3mug n GLU 199 Cb 0.50 -3.92 0.00 0.00 -0.57 0.00 0.00 31.44 27.44 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 -1.83 1.47 3.87 0.62 0.00 -1.26 -4.97 105.19 103.09 3mug n GLY 200 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3mug n GLY 200 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mug s SER 203 N -2.47 6.58 -0.03 1.61 1.04 -0.77 -5.11 113.70 114.56 3mug s SER 203 Ca 0.00 0.69 0.04 0.00 0.48 0.00 0.00 55.95 57.16 3mug s SER 203 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 3mug s SER 203 CO 0.00 0.24 -0.16 -0.89 0.98 0.00 0.00 173.24 173.41 3mug s THR 204 N -1.30 1.29 -0.11 2.02 2.01 -1.26 -0.93 115.64 117.36 3mug s THR 204 Ca 0.29 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.66 3mug s THR 204 Cb -0.14 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.28 3mug s THR 204 CO 0.16 0.37 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.55 3mug s VAL 205 N -0.11 1.99 -0.11 3.82 1.01 -0.49 -4.98 120.40 121.52 3mug s VAL 205 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3mug s VAL 205 Cb -0.09 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.58 3mug s VAL 205 CO 0.01 0.54 -0.10 -0.70 0.00 0.00 0.00 175.10 174.84 3mug s GLU 206 N 0.50 1.78 -0.01 2.72 2.12 -1.26 -0.28 118.70 124.26 3mug s GLU 206 Ca -0.15 -0.37 0.02 0.00 0.36 0.00 0.00 54.97 54.82 3mug s GLU 206 Cb -0.17 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.50 3mug s GLU 206 CO 0.06 -0.19 -0.03 0.15 -0.54 0.00 0.00 175.26 174.71 3mug s LYS 207 N 1.41 2.71 -0.01 4.30 -0.14 -0.75 -4.98 119.74 122.28 3mug s LYS 207 Ca 0.00 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 54.04 3mug s LYS 207 Cb -0.13 -2.61 -0.01 0.00 -1.68 0.00 0.00 37.83 33.39 3mug s LYS 207 CO -0.06 0.63 -0.18 0.99 -0.76 0.00 0.00 175.35 175.96 3mug s THR 208 N -1.02 1.44 0.03 2.17 2.01 -1.26 -1.85 115.64 117.16 3mug s THR 208 Ca 0.18 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.44 3mug s THR 208 Cb -0.11 -1.20 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 3mug s THR 208 CO 0.08 0.40 -0.15 0.68 -0.69 0.00 0.00 174.62 174.93 3mug s VAL 209 N -0.44 1.23 -0.04 3.82 -7.23 -0.47 -5.00 120.40 112.27 3mug s VAL 209 Ca 0.07 -0.96 0.06 0.00 -1.81 0.00 0.00 61.98 59.33 3mug s VAL 209 Cb -0.07 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 3mug s VAL 209 CO -0.01 0.11 -0.21 0.00 -0.31 0.00 0.00 175.10 174.68 3mug s ALA 210 N -0.74 1.83 0.48 1.32 0.00 -1.26 -1.07 121.76 122.33 3mug s ALA 210 Ca 0.04 -0.89 0.20 0.00 0.00 0.00 0.00 51.96 51.30 3mug s ALA 210 Cb -0.08 -0.55 1.22 0.00 0.00 0.00 0.00 23.12 23.71 3mug s ALA 210 CO 0.01 0.38 1.98 -1.00 0.00 0.00 0.00 175.76 177.12 3mug h PRO 211 N 5.99 0.20 0.00 0.00 0.13 -1.82 -3.50 132.00 132.99 3mug h PRO 211 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3mug h PRO 211 Cb 1.16 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mug h PRO 211 CO 0.47 0.13 0.00 0.25 -0.23 0.00 0.00 178.00 178.63