#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 -1.81 0.60 -1.46 0.00 -1.26 -4.85 121.76 112.98 3mug s ALA 3 Ca 0.00 1.91 -0.16 0.00 0.00 0.00 0.00 51.96 53.70 3mug s ALA 3 Cb 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 3mug s ALA 3 CO 0.00 -0.33 1.08 -0.51 0.00 0.00 0.00 175.76 176.00 3mug s LEU 4 N 0.12 3.51 -0.24 0.00 1.43 -0.79 -4.93 118.68 117.77 3mug s LEU 4 Ca -0.01 1.92 -0.10 0.00 -1.03 0.00 0.00 54.13 54.91 3mug s LEU 4 Cb -0.04 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 3mug s LEU 4 CO 0.01 -1.31 0.15 -0.89 0.23 0.00 0.00 176.35 174.54 3mug s THR 5 N -2.31 5.17 0.09 5.49 2.01 0.01 -2.67 115.64 123.43 3mug s THR 5 Ca 0.66 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.83 3mug s THR 5 Cb -0.18 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3mug s THR 5 CO 0.36 0.33 -0.16 -1.10 -0.69 0.00 0.00 174.62 173.37 3mug s GLN 6 N 1.22 0.93 0.45 4.92 -0.21 -1.26 -0.10 119.66 125.61 3mug s GLN 6 Ca 0.07 -1.06 -0.24 0.00 0.02 0.00 0.00 55.36 54.15 3mug s GLN 6 Cb -0.14 -0.96 -0.07 0.00 1.00 0.00 0.00 33.01 32.83 3mug s GLN 6 CO 0.06 0.21 1.23 -1.25 -2.12 0.00 0.00 175.29 173.42 3mug s PRO 7 N -1.96 3.73 0.27 2.91 0.04 -1.26 -4.81 135.00 133.92 3mug s PRO 7 Ca 0.02 1.96 0.02 0.00 0.04 0.00 0.00 61.00 63.04 3mug s PRO 7 Cb -0.09 -2.50 0.39 0.00 0.04 0.00 0.00 34.50 32.34 3mug s PRO 7 CO 0.03 -0.63 1.70 0.00 0.04 0.00 0.00 177.00 178.15 3mug h ALA 8 N 2.17 1.07 -3.52 8.56 0.00 -1.96 -3.36 119.26 122.22 3mug h ALA 8 Ca -0.50 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 53.83 3mug h ALA 8 Cb 1.26 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 18.64 3mug h ALA 8 CO 0.60 0.57 -0.64 0.45 0.00 0.00 0.00 179.25 180.23 3mug s SER 9 N -6.82 -0.06 -0.02 0.00 0.15 -1.26 -1.36 113.70 104.33 3mug s SER 9 Ca -0.07 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.73 3mug s SER 9 Cb 0.14 0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 3mug s SER 9 CO 0.79 -0.05 0.01 -0.69 1.20 0.00 0.00 173.24 174.50 3mug s VAL 11 N 0.33 0.07 0.05 4.45 1.01 -0.56 -4.93 120.40 120.82 3mug s VAL 11 Ca -0.02 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 3mug s VAL 11 Cb -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.15 3mug s VAL 11 CO -0.01 0.10 -0.03 -0.94 0.00 0.00 0.00 175.10 174.21 3mug s SER 12 N 0.78 0.54 0.05 3.32 1.04 -1.26 -2.11 113.70 116.07 3mug s SER 12 Ca -0.07 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 55.09 3mug s SER 12 Cb -0.10 0.19 0.09 0.00 0.10 0.00 0.00 66.02 66.30 3mug s SER 12 CO -0.02 -0.59 0.96 -0.83 0.98 0.00 0.00 173.24 173.74 3mug s GLY 13 N -2.92 -0.36 0.45 7.32 0.00 -0.96 -4.99 107.32 105.87 3mug s GLY 13 Ca 0.07 0.64 -0.10 0.00 0.00 0.00 0.00 44.72 45.33 3mug s GLY 13 CO -0.09 0.19 0.82 -0.56 0.00 0.00 0.00 173.10 173.45 3mug s SER 14 N -2.70 6.46 0.26 1.64 0.01 -1.26 -1.17 113.70 116.95 3mug s SER 14 Ca 0.09 1.17 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 3mug s SER 14 Cb -0.01 -2.34 -0.13 0.00 0.21 0.00 0.00 66.02 63.75 3mug s SER 14 CO -0.04 -0.49 1.38 -2.65 0.41 0.00 0.00 173.24 171.85 3mug n PRO 15 N -1.64 2.06 0.00 12.44 -0.02 -1.26 -1.78 135.00 144.80 3mug n PRO 15 Ca 0.03 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3mug n PRO 15 Cb 0.54 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.87 3.22 3.71 -1.23 0.00 0.01 -4.86 105.19 107.92 3mug n GLY 16 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.52 1.18 -0.17 1.61 -0.21 -0.73 -3.43 119.66 117.39 3mug s GLN 17 Ca 0.00 0.81 -0.02 0.00 0.02 0.00 0.00 55.36 56.17 3mug s GLN 17 Cb 0.00 -1.80 -0.01 0.00 1.00 0.00 0.00 33.01 32.20 3mug s GLN 17 CO 0.00 -2.29 -0.10 -0.08 -2.12 0.00 0.00 175.29 170.70 3mug s THR 18 N -2.93 3.12 0.20 -0.19 -1.32 -1.26 -0.92 115.64 112.34 3mug s THR 18 Ca 0.64 -0.61 0.11 0.00 -1.21 0.00 0.00 61.69 60.62 3mug s THR 18 Cb -0.18 -2.36 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 3mug s THR 18 CO 0.57 0.48 -0.23 0.27 -2.21 0.00 0.00 174.62 173.51 3mug s ILE 19 N 0.88 2.28 -0.02 5.08 -4.36 -0.42 -4.98 121.20 119.66 3mug s ILE 19 Ca -0.02 -2.06 0.03 0.00 -0.26 0.00 0.00 60.65 58.33 3mug s ILE 19 Cb -0.15 -2.10 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 3mug s ILE 19 CO 0.00 -0.18 -0.09 -0.89 0.24 0.00 0.00 174.94 174.02 3mug s THR 20 N -1.84 0.76 -0.17 8.37 2.01 -1.26 -1.13 115.64 122.37 3mug s THR 20 Ca 0.21 -0.38 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 3mug s THR 20 Cb -0.07 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3mug s THR 20 CO 0.10 0.23 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.48 3mug s ILE 21 N -0.01 2.58 0.28 1.82 1.01 0.10 -4.98 121.20 122.01 3mug s ILE 21 Ca 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3mug s ILE 21 Cb -0.06 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3mug s ILE 21 CO 0.00 0.51 0.51 -0.94 0.00 0.00 0.00 174.94 175.02 3mug s SER 22 N 1.08 6.40 -0.28 3.58 1.04 -1.26 -0.85 113.70 123.41 3mug s SER 22 Ca -0.00 0.59 -0.02 0.00 0.48 0.00 0.00 55.95 57.00 3mug s SER 22 Cb -0.14 -2.09 0.12 0.00 0.10 0.00 0.00 66.02 64.00 3mug s SER 22 CO -0.05 -0.18 0.23 0.00 0.98 0.00 0.00 173.24 174.22 3mug s ASN 24 N 2.26 6.59 0.00 0.00 0.01 0.86 -1.07 114.94 123.60 3mug s ASN 24 Ca 0.09 0.71 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 3mug s ASN 24 Cb -0.15 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3mug s ASN 24 CO -0.32 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 175.68 3mug n GLY 25 N 3.85 5.78 0.00 0.66 0.00 0.68 -0.81 105.19 115.36 3mug n GLY 25 Ca -0.04 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.84 114.28 108.55 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 -0.35 113.62 118.84 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 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.14 0.00 0.01 4.04 5.68 -1.26 -1.19 116.55 123.98 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 0.79 0.00 2.12 2.07 -1.71 -2.36 116.25 117.16 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 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 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 -0.09 0.00 1.29 2.17 0.00 -0.80 -3.30 103.07 102.34 3mug h GLY 28 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 3mug h GLY 28 CO -0.14 0.00 -1.42 -1.33 0.00 0.00 0.00 176.54 173.65 3mug h GLY 29 N 2.94 0.00 -3.00 4.60 0.00 -1.54 -3.48 103.07 102.60 3mug h GLY 29 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 3mug h GLY 29 CO 0.00 0.00 -0.65 -1.36 0.00 0.00 0.00 176.54 174.53 3mug s PHE 30 N -2.70 0.74 -0.92 5.60 0.08 -0.95 -4.97 117.98 114.86 3mug s PHE 30 Ca -0.02 -1.17 -0.02 0.00 0.12 0.00 0.00 56.93 55.84 3mug s PHE 30 Cb 0.09 -0.44 0.34 0.00 -0.57 0.00 0.00 43.02 42.43 3mug s PHE 30 CO 0.82 -0.48 1.95 -0.25 -0.10 0.00 0.00 175.22 177.16 3mug n ASP 31 N -0.03 7.47 -2.48 1.36 9.92 -1.26 -4.70 116.55 126.83 3mug n ASP 31 Ca -0.08 -3.78 -0.19 0.00 -0.53 0.00 0.00 54.79 50.21 3mug n ASP 31 Cb 0.63 -1.11 0.02 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.35 3.59 -4.65 -2.24 7.64 -1.26 -4.18 113.62 112.18 3mug n SER 32 Ca 0.51 -3.30 -0.38 0.00 1.01 0.00 0.00 58.87 56.71 3mug n SER 32 Cb 0.24 -0.46 -0.08 0.00 -1.01 0.00 0.00 64.21 62.90 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 -4.58 5.24 0.17 0.44 1.01 -1.26 -3.26 120.40 118.15 3mug s VAL 33 Ca 0.41 0.52 0.10 0.00 0.00 0.00 0.00 61.98 63.01 3mug s VAL 33 Cb 0.41 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 3mug s VAL 33 CO -0.08 0.26 -0.22 -0.94 0.00 0.00 0.00 175.10 174.12 3mug s SER 34 N 1.19 3.03 -0.01 3.32 1.04 -0.60 -1.51 113.70 120.16 3mug s SER 34 Ca 0.15 -0.83 0.06 0.00 0.48 0.00 0.00 55.95 55.81 3mug s SER 34 Cb -0.15 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.76 3mug s SER 34 CO 0.07 0.06 -0.21 0.26 0.98 0.00 0.00 173.24 174.41 3mug s TRP 35 N -1.68 1.84 -0.03 5.02 0.52 0.59 -0.36 118.94 124.84 3mug s TRP 35 Ca 0.16 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.98 3mug s TRP 35 Cb -0.08 -1.18 -0.00 0.00 -1.15 0.00 0.00 33.47 31.05 3mug s TRP 35 CO 0.08 -0.03 -0.15 0.71 0.02 0.00 0.00 176.95 177.58 3mug s TYR 36 N -0.49 1.48 -0.13 -1.98 1.51 -0.11 -0.35 117.35 117.28 3mug s TYR 36 Ca 0.08 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3mug s TYR 36 Cb -0.08 -0.99 -0.03 0.00 -0.11 0.00 0.00 41.96 40.75 3mug s TYR 36 CO -0.01 -0.11 -0.00 -1.14 -1.11 0.00 0.00 175.55 173.18 3mug s GLN 37 N -0.07 3.43 -0.24 -0.62 0.74 -0.26 -0.58 119.66 122.07 3mug s GLN 37 Ca -0.00 -0.44 0.00 0.00 0.05 0.00 0.00 55.36 54.97 3mug s GLN 37 Cb -0.09 -2.91 0.07 0.00 1.10 0.00 0.00 33.01 31.17 3mug s GLN 37 CO 0.01 0.45 -0.02 -1.14 -0.55 0.00 0.00 175.29 174.04 3mug s GLN 38 N -0.18 1.37 0.25 1.67 0.74 0.87 -1.14 119.66 123.24 3mug s GLN 38 Ca 0.05 -0.95 -0.12 0.00 0.05 0.00 0.00 55.36 54.39 3mug s GLN 38 Cb -0.13 -2.49 -0.08 0.00 1.10 0.00 0.00 33.01 31.42 3mug s GLN 38 CO 0.02 -0.66 0.61 -1.12 -0.55 0.00 0.00 175.29 173.59 3mug s SER 39 N 1.47 6.71 0.16 6.67 0.01 -1.26 -1.55 113.70 125.91 3mug s SER 39 Ca -0.03 1.06 -0.32 0.00 1.31 0.00 0.00 55.95 57.97 3mug s SER 39 Cb -0.18 -2.28 -0.12 0.00 0.21 0.00 0.00 66.02 63.64 3mug s SER 39 CO -0.08 -0.09 1.73 -0.81 0.41 0.00 0.00 173.24 174.40 3mug n PRO 40 N -0.05 2.61 -0.96 12.44 -0.04 -1.26 -1.29 135.00 146.44 3mug n PRO 40 Ca 0.01 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.41 3mug n PRO 40 Cb 0.52 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 3.93 0.60 3.47 0.55 0.00 -1.26 -5.01 105.19 107.47 3mug n GLY 41 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.26 1.72 0.53 1.61 3.01 -0.41 -5.12 119.74 120.82 3mug s LYS 42 Ca 0.00 -1.23 -0.21 0.00 -1.01 0.00 0.00 55.97 53.52 3mug s LYS 42 Cb 0.00 -2.07 -0.05 0.00 -1.01 0.00 0.00 37.83 34.70 3mug s LYS 42 CO 0.00 0.47 1.26 0.00 0.51 0.00 0.00 175.35 177.59 3mug s ALA 43 N -1.19 2.80 0.72 5.17 0.00 -1.26 -4.42 121.76 123.57 3mug s ALA 43 Ca 0.18 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 3mug s ALA 43 Cb -0.10 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.57 3mug s ALA 43 CO 0.10 -1.10 1.21 -2.14 0.00 0.00 0.00 175.76 173.83 3mug s PRO 44 N -2.95 2.23 -0.02 0.00 0.02 -1.26 -4.71 135.00 128.31 3mug s PRO 44 Ca 0.71 1.78 0.02 0.00 0.02 0.00 0.00 61.00 63.53 3mug s PRO 44 Cb -0.34 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.34 3mug s PRO 44 CO 0.40 -1.77 -0.08 0.15 -0.33 0.00 0.00 177.00 175.36 3mug s LYS 45 N -3.84 0.83 0.21 5.54 1.02 -0.29 -4.94 119.74 118.27 3mug s LYS 45 Ca 0.75 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.15 3mug s LYS 45 Cb -0.30 -0.79 -0.10 0.00 -0.52 0.00 0.00 37.83 36.12 3mug s LYS 45 CO 0.44 0.13 1.46 0.14 -0.92 0.00 0.00 175.35 176.60 3mug s VAL 46 N 0.07 2.73 -0.13 3.17 -7.23 -1.26 -1.10 120.40 116.64 3mug s VAL 46 Ca -0.01 0.58 -0.02 0.00 -1.81 0.00 0.00 61.98 60.72 3mug s VAL 46 Cb -0.07 -3.37 -0.08 0.00 0.56 0.00 0.00 36.38 33.43 3mug s VAL 46 CO 0.00 0.08 -0.14 0.23 -0.31 0.00 0.00 175.10 174.96 3mug n MET 47 N 2.88 0.31 -3.85 4.82 2.81 0.53 -4.85 117.12 119.78 3mug n MET 47 Ca 0.09 0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.96 3mug n MET 47 Cb 0.40 -1.17 -0.12 0.00 -0.71 0.00 0.00 33.22 31.63 3mug n MET 47 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3mug s VAL 48 N -2.26 0.04 0.06 2.03 1.01 -1.22 -4.25 120.40 115.81 3mug s VAL 48 Ca -0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 3mug s VAL 48 Cb 0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 3mug s VAL 48 CO 0.28 -0.16 -0.02 0.72 0.00 0.00 0.00 175.10 175.92 3mug s PHE 49 N -0.51 0.53 -1.46 5.22 -0.12 0.54 -0.30 117.98 121.87 3mug s PHE 49 Ca -0.06 -1.06 -0.03 0.00 -0.05 0.00 0.00 56.93 55.73 3mug s PHE 49 Cb -0.04 -0.38 0.02 0.00 -0.63 0.00 0.00 43.02 41.99 3mug s PHE 49 CO 0.01 -0.40 0.42 -0.25 -0.05 0.00 0.00 175.22 174.95 3mug n ASP 50 N 0.09 -0.56 0.00 1.98 8.00 -0.92 -1.35 116.55 123.79 3mug n ASP 50 Ca -0.13 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3mug n ASP 50 Cb 0.61 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.86 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 -0.57 -4.02 118.33 112.15 3mug n VAL 51 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3mug n VAL 51 Cb 0.66 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 2.60 1.40 -4.83 4.52 3.41 -1.23 -3.58 113.62 115.91 3mug n SER 52 Ca 0.00 -1.41 -0.37 0.00 -0.26 0.00 0.00 58.87 56.83 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 -0.41 3.70 -0.13 7.33 4.02 -0.46 -4.53 115.29 124.81 3mug s HIS 53 Ca 0.00 1.07 -0.04 0.00 1.02 0.00 0.00 55.06 57.11 3mug s HIS 53 Cb 0.00 -2.36 -0.03 0.00 -1.02 0.00 0.00 32.58 29.17 3mug s HIS 53 CO 0.00 0.56 0.00 1.03 1.02 0.00 0.00 174.74 177.35 3mug s ARG 54 N -1.42 3.45 1.02 1.40 0.52 -1.26 -0.33 118.95 122.32 3mug s ARG 54 Ca 0.30 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 3mug s ARG 54 Cb -0.17 -2.93 0.20 0.00 0.52 0.00 0.00 34.95 32.58 3mug s ARG 54 CO 0.17 0.44 1.10 -2.14 0.02 0.00 0.00 175.30 174.89 3mug s PRO 55 N -0.16 0.23 0.22 3.54 0.02 -1.26 -4.94 135.00 132.64 3mug s PRO 55 Ca 0.05 0.41 -0.30 0.00 0.02 0.00 0.00 61.00 61.17 3mug s PRO 55 Cb -0.13 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.57 3mug s PRO 55 CO 0.02 -2.84 1.44 -1.12 -0.33 0.00 0.00 177.00 174.17 3mug s SER 56 N -3.55 6.68 0.00 2.53 0.01 -1.26 -2.77 113.70 115.34 3mug s SER 56 Ca 0.66 2.60 0.00 0.00 1.31 0.00 0.00 55.95 60.52 3mug s SER 56 Cb -0.17 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3mug s SER 56 CO 0.57 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 174.13 3mug n GLY 57 N 2.58 1.05 3.70 3.44 0.00 -1.26 -5.05 105.19 109.65 3mug n GLY 57 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 5.11 0.40 -0.61 1.09 -1.11 -5.04 121.20 118.46 3mug s ILE 58 Ca 0.00 1.14 -0.25 0.00 -1.10 0.00 0.00 60.65 60.44 3mug s ILE 58 Cb 0.00 -3.91 -0.11 0.00 -1.06 0.00 0.00 42.46 37.39 3mug s ILE 58 CO 0.00 0.24 1.09 -1.20 -0.10 0.00 0.00 174.94 174.97 3mug n SER 59 N 4.12 1.65 0.01 3.58 7.64 -1.26 -4.90 113.62 124.46 3mug n SER 59 Ca -0.04 1.07 0.04 0.00 1.01 0.00 0.00 58.87 60.96 3mug n SER 59 Cb 0.51 -1.39 0.19 0.00 -1.01 0.00 0.00 64.21 62.51 3mug n SER 59 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3mug n ASN 60 N 0.51 0.04 0.25 6.43 0.23 -1.26 -2.61 115.26 118.85 3mug n ASN 60 Ca 0.08 0.51 0.14 0.00 -0.53 0.00 0.00 54.58 54.79 3mug n ASN 60 Cb 0.38 -0.52 0.53 0.00 -2.08 0.00 0.00 39.78 38.09 3mug n ASN 60 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 3mug h ARG 61 N 0.00 0.00 -5.24 -3.83 3.08 -1.90 -3.42 114.38 103.07 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 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.04 3mug h ARG 61 CO 0.00 0.07 -0.12 -0.06 -1.07 0.00 0.00 179.97 178.79 3mug s PHE 62 N -3.58 3.24 0.03 3.04 0.08 -1.07 -0.79 117.98 118.93 3mug s PHE 62 Ca 0.02 0.46 0.03 0.00 0.12 0.00 0.00 56.93 57.56 3mug s PHE 62 Cb 0.09 -2.68 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 3mug s PHE 62 CO 0.59 -0.30 -0.10 -1.54 -0.10 0.00 0.00 175.22 173.77 3mug s SER 63 N 1.62 1.18 0.11 1.36 1.04 -0.30 -4.96 113.70 113.76 3mug s SER 63 Ca 0.18 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.30 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 0.10 -0.04 -0.23 -0.83 0.98 0.00 0.00 173.24 173.22 3mug s GLY 64 N -1.06 1.61 0.08 7.32 0.00 -1.26 -0.21 107.32 113.80 3mug s GLY 64 Ca -0.02 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.19 3mug s GLY 64 CO 0.01 -1.36 0.28 -0.45 0.00 0.00 0.00 173.10 171.58 3mug s SER 65 N -1.98 -0.05 -0.06 1.64 0.15 -0.33 -4.14 113.70 108.93 3mug s SER 65 Ca 0.15 -0.41 -0.06 0.00 0.70 0.00 0.00 55.95 56.34 3mug s SER 65 Cb -0.10 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.60 3mug s SER 65 CO 0.07 -0.72 0.16 -0.75 1.20 0.00 0.00 173.24 173.21 3mug s LYS 66 N -3.38 0.20 -0.21 5.44 2.20 -1.26 0.10 119.74 122.83 3mug s LYS 66 Ca 0.01 0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.79 3mug s LYS 66 Cb 0.02 0.10 0.09 0.00 -1.51 0.00 0.00 37.83 36.53 3mug s LYS 66 CO -0.09 -0.02 0.21 -1.54 -0.36 0.00 0.00 175.35 173.54 3mug s SER 67 N 0.05 1.58 1.82 1.43 1.04 0.67 -5.00 113.70 115.29 3mug s SER 67 Ca -0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3mug s SER 67 Cb -0.01 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.39 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 5.31 3.72 0.97 7.32 0.00 -1.26 -1.61 105.19 119.64 3mug n GLY 68 Ca -0.06 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 9.29 2.82 -4.29 1.61 3.02 -1.26 -3.86 115.26 122.60 3mug n ASN 69 Ca 0.00 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.25 3mug n ASN 69 Cb 0.00 -0.33 -0.16 0.00 -0.61 0.00 0.00 39.78 38.68 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 -1.34 2.41 0.11 3.41 2.01 -0.63 -0.23 115.64 121.38 3mug s THR 70 Ca 0.36 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.53 3mug s THR 70 Cb 0.19 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 3mug s THR 70 CO 0.25 0.55 -0.13 0.00 -0.69 0.00 0.00 174.62 174.61 3mug s ALA 71 N 0.17 2.86 0.00 7.40 0.00 -0.23 -0.24 121.76 131.73 3mug s ALA 71 Ca -0.12 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.59 3mug s ALA 71 Cb -0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3mug s ALA 71 CO 0.06 0.63 -0.08 -1.12 0.00 0.00 0.00 175.76 175.25 3mug s SER 72 N -2.18 0.92 -0.18 0.00 0.01 0.11 -0.25 113.70 112.13 3mug s SER 72 Ca 0.20 -0.19 -0.01 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 66.03 3mug s SER 72 CO 0.12 0.07 -0.13 -0.22 0.41 0.00 0.00 173.24 173.49 3mug s LEU 73 N -0.34 2.54 -0.11 2.44 2.96 -0.03 -1.18 118.68 124.96 3mug s LEU 73 Ca 0.02 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3mug s LEU 73 Cb -0.04 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3mug s LEU 73 CO -0.00 0.04 -0.07 -0.89 -1.32 0.00 0.00 176.35 174.11 3mug s THR 74 N 1.10 3.68 -0.24 3.68 2.01 0.71 -0.72 115.64 125.86 3mug s THR 74 Ca 0.00 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.56 3mug s THR 74 Cb -0.14 -2.55 0.05 0.00 0.01 0.00 0.00 72.50 69.87 3mug s THR 74 CO -0.04 0.55 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.69 3mug s ILE 75 N -0.24 2.21 0.22 1.82 1.01 -0.29 -1.14 121.20 124.79 3mug s ILE 75 Ca 0.03 -1.45 -0.02 0.00 0.00 0.00 0.00 60.65 59.21 3mug s ILE 75 Cb -0.13 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 3mug s ILE 75 CO 0.03 0.10 0.43 -0.94 0.00 0.00 0.00 174.94 174.56 3mug s SER 76 N 1.16 6.41 -1.24 3.58 1.04 0.03 -1.31 113.70 123.37 3mug s SER 76 Ca -0.05 0.49 -0.13 0.00 0.48 0.00 0.00 55.95 56.73 3mug s SER 76 Cb -0.18 -2.05 -0.00 0.00 0.10 0.00 0.00 66.02 63.89 3mug s SER 76 CO -0.07 -0.07 0.66 0.61 0.98 0.00 0.00 173.24 175.35 3mug n GLY 77 N -0.67 -0.68 3.54 7.32 0.00 -1.06 -4.80 105.19 108.84 3mug n GLY 77 Ca -0.04 0.33 -0.59 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.29 0.38 -4.37 0.99 0.00 -0.10 -4.42 117.00 105.19 3mug n LEU 78 Ca -0.18 1.16 -0.28 0.00 0.00 0.00 0.00 56.01 56.70 3mug n LEU 78 Cb 0.63 -0.96 -0.13 0.00 0.00 0.00 0.00 43.42 42.96 3mug n LEU 78 CO 0.70 -1.66 -0.56 -2.28 0.00 0.00 0.00 177.39 173.59 3mug s HIS 79 N 0.44 2.23 0.38 1.96 5.65 -1.26 -0.81 115.29 123.87 3mug s HIS 79 Ca 0.92 -0.39 0.18 0.00 0.25 0.00 0.00 55.06 56.02 3mug s HIS 79 Cb -1.25 -1.21 1.14 0.00 -1.18 0.00 0.00 32.58 30.08 3mug s HIS 79 CO 0.58 0.31 1.69 0.82 -0.65 0.00 0.00 174.74 177.50 3mug h ILE 80 N 3.93 0.36 -0.00 0.89 5.03 -1.94 0.55 117.51 126.32 3mug h ILE 80 Ca -0.50 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.13 3mug h ILE 80 Cb 1.17 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 3mug h ILE 80 CO 0.39 0.06 -0.00 -1.84 -0.68 0.00 0.00 178.15 176.08 3mug n GLU 81 N -4.83 0.82 0.01 2.37 0.28 -1.26 -3.15 120.64 114.88 3mug n GLU 81 Ca 0.30 -0.02 0.12 0.00 -0.16 0.00 0.00 57.16 57.41 3mug n GLU 81 Cb 1.02 -1.50 0.25 0.00 1.43 0.00 0.00 31.44 32.64 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 -1.07 0.50 -4.72 -1.84 8.00 0.18 -4.93 116.55 112.68 3mug n ASP 82 Ca 0.21 -0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.11 3mug n ASP 82 Cb 0.16 0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.59 2.52 -3.05 -1.24 1.02 -1.19 -4.88 120.64 112.23 3mug n GLU 83 Ca 0.05 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 3mug n GLU 83 Cb 0.35 -2.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.10 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 2.64 -0.63 3.71 0.62 0.00 -1.04 -4.71 105.19 105.78 3mug n GLY 84 Ca 0.11 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 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 5.89 -0.16 1.61 -0.00 -0.59 -0.37 116.67 119.04 3mug s ASP 85 Ca 0.00 0.19 -0.01 0.00 -0.00 0.00 0.00 52.55 52.73 3mug s ASP 85 Cb 0.00 -1.98 -0.01 0.00 -0.00 0.00 0.00 42.92 40.93 3mug s ASP 85 CO 0.00 0.23 -0.10 -0.31 -0.00 0.00 0.00 175.17 174.99 3mug s TYR 86 N 0.03 2.87 -0.10 4.23 2.02 0.02 -0.09 117.35 126.33 3mug s TYR 86 Ca 0.07 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 3mug s TYR 86 Cb -0.12 -1.92 0.00 0.00 -0.40 0.00 0.00 41.96 39.52 3mug s TYR 86 CO 0.00 -0.31 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.38 3mug s PHE 87 N 0.68 2.49 0.19 2.71 0.08 0.26 -1.52 117.98 122.87 3mug s PHE 87 Ca -0.05 -1.01 -0.08 0.00 0.12 0.00 0.00 56.93 55.91 3mug s PHE 87 Cb -0.15 -1.67 -0.07 0.00 -0.57 0.00 0.00 43.02 40.57 3mug s PHE 87 CO 0.02 -0.41 0.48 0.00 -0.10 0.00 0.00 175.22 175.22 3mug s SER 89 N -2.36 0.56 0.02 0.00 0.15 0.52 -0.40 113.70 112.18 3mug s SER 89 Ca 0.45 -0.68 -0.06 0.00 0.70 0.00 0.00 55.95 56.36 3mug s SER 89 Cb -0.12 0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 3mug s SER 89 CO 0.22 -0.36 0.10 -0.55 1.20 0.00 0.00 173.24 173.85 3mug s SER 90 N -1.99 0.11 0.38 5.45 0.15 0.08 -1.55 113.70 116.32 3mug s SER 90 Ca -0.06 -0.36 -0.25 0.00 0.70 0.00 0.00 55.95 55.98 3mug s SER 90 Cb -0.04 0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.37 3mug s SER 90 CO -0.03 -0.40 1.06 -0.22 1.20 0.00 0.00 173.24 174.85 3mug s LEU 91 N -1.63 4.22 0.20 3.45 2.96 -1.20 -0.77 118.68 125.90 3mug s LEU 91 Ca -0.12 2.09 0.06 0.00 -0.22 0.00 0.00 54.13 55.94 3mug s LEU 91 Cb -0.06 -4.08 -0.04 0.00 0.50 0.00 0.00 46.19 42.52 3mug s LEU 91 CO -0.01 -0.44 0.19 -0.89 -1.32 0.00 0.00 176.35 173.88 3mug s THR 92 N -1.56 4.60 -1.18 3.68 2.01 -0.16 -4.39 115.64 118.64 3mug s THR 92 Ca 0.55 -1.15 0.09 0.00 0.31 0.00 0.00 61.69 61.49 3mug s THR 92 Cb -0.24 -3.41 0.11 0.00 0.01 0.00 0.00 72.50 68.97 3mug s THR 92 CO 0.30 -0.21 1.23 -0.90 -0.69 0.00 0.00 174.62 174.36 3mug n ASP 93 N -0.73 0.00 -1.10 3.53 5.75 -0.33 -1.52 116.55 122.15 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 -0.41 0.19 0.00 -1.03 0.00 0.00 41.12 40.43 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 -1.41 2.43 -1.25 0.11 1.74 -1.26 -4.96 116.66 112.06 3mug n ARG 94 Ca 0.03 -2.20 -0.09 0.00 -0.77 0.00 0.00 57.85 54.82 3mug n ARG 94 Cb 0.09 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 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 1.43 -4.08 -4.57 0.55 7.64 -0.58 -5.05 113.62 108.96 3mug n SER 95 Ca 0.18 0.22 -0.25 0.00 1.01 0.00 0.00 58.87 60.02 3mug n SER 95 Cb 0.59 -2.35 0.12 0.00 -1.01 0.00 0.00 64.21 61.57 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 -2.31 1.76 -0.04 1.43 3.76 -1.26 -4.84 115.29 113.79 3mug s HIS 95 Ca 0.00 -0.05 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 3mug s HIS 95 Cb 0.00 -3.29 -0.01 0.00 1.11 0.00 0.00 32.58 30.40 3mug s HIS 95 CO 0.00 -1.89 -0.21 1.03 -0.85 0.00 0.00 174.74 172.82 3mug s ARG 96 N -5.33 2.08 -0.07 1.40 1.81 -1.26 -0.99 118.95 116.59 3mug s ARG 96 Ca 0.67 -0.75 0.05 0.00 -1.72 0.00 0.00 55.73 53.98 3mug s ARG 96 Cb -0.06 -1.81 -0.00 0.00 -0.45 0.00 0.00 34.95 32.63 3mug s ARG 96 CO 0.46 0.33 -0.23 0.42 -0.68 0.00 0.00 175.30 175.61 3mug s ILE 97 N -0.13 1.92 0.22 1.52 -1.09 0.05 -4.96 121.20 118.74 3mug s ILE 97 Ca -0.02 -0.97 0.07 0.00 -2.23 0.00 0.00 60.65 57.50 3mug s ILE 97 Cb -0.12 -1.65 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 3mug s ILE 97 CO 0.02 0.53 0.14 -0.36 -1.23 0.00 0.00 174.94 174.05 3mug s PHE 98 N 0.11 3.06 0.80 3.97 0.08 -1.26 -0.74 117.98 124.00 3mug s PHE 98 Ca -0.10 -0.10 -0.10 0.00 0.12 0.00 0.00 56.93 56.75 3mug s PHE 98 Cb -0.15 -1.41 0.11 0.00 -0.57 0.00 0.00 43.02 40.99 3mug s PHE 98 CO 0.06 0.53 1.14 0.20 -0.10 0.00 0.00 175.22 177.05 3mug s GLY 99 N -3.52 1.69 0.43 4.36 0.00 0.47 -1.89 107.32 108.86 3mug s GLY 99 Ca 0.32 -1.01 0.23 0.00 0.00 0.00 0.00 44.72 44.26 3mug s GLY 99 CO 0.23 -0.46 1.78 -1.33 0.00 0.00 0.00 173.10 173.32 3mug h GLY 100 N -1.00 0.00 0.00 0.20 0.00 -1.84 -3.45 103.07 96.98 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 0.54 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.69 3mug n GLY 101 N 0.30 2.41 2.89 4.60 0.00 -1.26 -5.05 105.19 109.08 3mug n GLY 101 Ca 0.00 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.17 0.77 -0.15 2.61 2.01 -0.57 -4.40 115.64 113.73 3mug s THR 102 Ca 0.00 -0.18 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 3mug s THR 102 Cb 0.00 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 3mug s THR 102 CO 0.00 0.30 0.89 -0.75 -0.69 0.00 0.00 174.62 174.37 3mug s LYS 103 N 1.36 4.33 -0.27 4.92 2.20 -0.46 -0.80 119.74 131.02 3mug s LYS 103 Ca -0.03 1.14 -0.08 0.00 -0.36 0.00 0.00 55.97 56.64 3mug s LYS 103 Cb -0.14 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 3mug s LYS 103 CO -0.03 -0.33 0.10 0.08 -0.36 0.00 0.00 175.35 174.80 3mug s VAL 104 N 2.15 4.43 -0.11 4.02 1.01 0.50 -1.50 120.40 130.91 3mug s VAL 104 Ca 0.41 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.15 3mug s VAL 104 Cb -0.17 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 3mug s VAL 104 CO 0.14 0.25 -0.09 -0.89 0.00 0.00 0.00 175.10 174.50 3mug s THR 105 N 1.62 3.47 -0.49 3.92 2.01 -0.90 -2.49 115.64 122.78 3mug s THR 105 Ca 0.06 -0.54 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 3mug s THR 105 Cb -0.16 -2.45 0.12 0.00 0.01 0.00 0.00 72.50 70.03 3mug s THR 105 CO 0.05 0.55 0.35 -0.69 -0.69 0.00 0.00 174.62 174.18 3mug s VAL 106 N -0.11 4.12 -0.33 3.82 1.01 -1.26 -2.27 120.40 125.38 3mug s VAL 106 Ca 0.00 -1.91 -0.38 0.00 0.00 0.00 0.00 61.98 59.69 3mug s VAL 106 Cb -0.13 -3.72 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 3mug s VAL 106 CO 0.03 -0.78 2.00 0.18 0.00 0.00 0.00 175.10 176.53 3mug n LEU 106 N 4.76 2.13 -0.20 3.92 4.77 -0.31 -4.87 117.00 127.18 3mug n LEU 106 Ca -0.06 0.72 0.02 0.00 -0.03 0.00 0.00 56.01 56.67 3mug n LEU 106 Cb 0.41 -1.18 0.03 0.00 -2.33 0.00 0.00 43.42 40.35 3mug n LEU 106 CO 0.41 -0.59 0.39 0.61 -1.33 0.00 0.00 177.39 176.88 3mug n GLY 107 N 5.67 0.16 3.56 -0.72 0.00 -1.26 -4.53 105.19 108.06 3mug n GLY 107 Ca 0.36 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.56 1.41 0.45 1.61 -2.07 -1.26 -5.16 119.66 114.08 3mug s GLN 108 Ca 0.07 -0.62 -0.24 0.00 -1.82 0.00 0.00 55.36 52.74 3mug s GLN 108 Cb 0.04 0.59 -0.08 0.00 -1.09 0.00 0.00 33.01 32.47 3mug s GLN 108 CO 0.06 -0.63 1.24 -1.25 -1.32 0.00 0.00 175.29 173.38 3mug s PRO 109 N -3.77 3.78 0.37 9.60 0.04 -1.26 -4.96 135.00 138.80 3mug s PRO 109 Ca 0.04 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 3mug s PRO 109 Cb -0.02 -2.54 -0.11 0.00 0.04 0.00 0.00 34.50 31.87 3mug s PRO 109 CO -0.07 -0.59 1.47 0.15 0.04 0.00 0.00 177.00 178.01 3mug s LYS 110 N -2.52 4.13 -0.03 4.56 1.02 -1.26 -4.87 119.74 120.77 3mug s LYS 110 Ca 0.62 2.54 0.03 0.00 0.02 0.00 0.00 55.97 59.17 3mug s LYS 110 Cb -0.34 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 3mug s LYS 110 CO 0.42 -0.50 -0.10 0.00 -0.92 0.00 0.00 175.35 174.25 3mug s ALA 111 N -1.12 0.94 0.53 5.17 0.00 -0.53 -4.93 121.76 121.83 3mug s ALA 111 Ca 0.52 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 3mug s ALA 111 Cb -0.46 -0.35 -0.07 0.00 0.00 0.00 0.00 23.12 22.24 3mug s ALA 111 CO 0.62 0.15 0.99 0.00 0.00 0.00 0.00 175.76 177.52 3mug s ALA 112 N 0.23 3.08 0.57 0.00 0.00 -1.26 -1.07 121.76 123.31 3mug s ALA 112 Ca -0.04 0.12 -0.16 0.00 0.00 0.00 0.00 51.96 51.88 3mug s ALA 112 Cb -0.09 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 3mug s ALA 112 CO 0.01 -0.32 1.03 -1.25 0.00 0.00 0.00 175.76 175.23 3mug s PRO 113 N -4.29 3.54 -0.26 0.00 0.04 -1.26 -4.38 135.00 128.40 3mug s PRO 113 Ca 0.58 1.08 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 3mug s PRO 113 Cb -0.10 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3mug s PRO 113 CO 0.36 -0.62 0.20 -1.12 0.04 0.00 0.00 177.00 175.86 3mug s SER 114 N -3.01 6.10 -0.21 6.66 0.01 0.14 -4.91 113.70 118.48 3mug s SER 114 Ca 0.61 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.92 3mug s SER 114 Cb -0.13 -2.12 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 3mug s SER 114 CO 0.37 -0.00 -0.03 -0.69 0.41 0.00 0.00 173.24 173.29 3mug s VAL 115 N 1.41 3.53 -0.17 3.43 1.01 -1.26 -1.21 120.40 127.14 3mug s VAL 115 Ca 0.08 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3mug s VAL 115 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3mug s VAL 115 CO 0.08 0.42 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 3mug s THR 116 N 1.32 2.03 -0.23 3.92 2.01 0.11 -4.97 115.64 119.83 3mug s THR 116 Ca 0.04 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.06 3mug s THR 116 Cb -0.14 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 3mug s THR 116 CO -0.01 0.54 0.01 -0.22 -0.69 0.00 0.00 174.62 174.25 3mug s LEU 117 N 1.24 3.17 -0.19 4.42 2.96 -1.26 0.14 118.68 129.15 3mug s LEU 117 Ca 0.04 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 3mug s LEU 117 Cb -0.13 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3mug s LEU 117 CO -0.12 -0.03 0.09 -0.36 -1.32 0.00 0.00 176.35 174.61 3mug s PHE 118 N 1.55 3.29 0.88 5.38 0.40 0.11 -4.98 117.98 124.61 3mug s PHE 118 Ca 0.06 0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 3mug s PHE 118 Cb -0.15 -2.12 0.12 0.00 0.51 0.00 0.00 43.02 41.38 3mug s PHE 118 CO 0.00 0.17 1.16 -1.25 0.70 0.00 0.00 175.22 176.00 3mug s PRO 119 N 0.46 1.40 0.37 0.24 0.04 -1.26 -1.58 135.00 134.67 3mug s PRO 119 Ca 0.05 0.18 -0.28 0.00 0.04 0.00 0.00 61.00 60.98 3mug s PRO 119 Cb -0.12 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 3mug s PRO 119 CO 0.00 -1.99 1.51 -2.14 0.04 0.00 0.00 177.00 174.42 3mug s PRO 120 N -5.43 4.10 0.64 0.56 0.02 -1.20 -4.80 135.00 128.89 3mug s PRO 120 Ca 0.64 2.59 -0.14 0.00 0.02 0.00 0.00 61.00 64.11 3mug s PRO 120 Cb -0.13 -2.97 -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 0.00 177.00 176.15 3mug s SER 121 N -0.04 5.51 0.47 2.53 1.04 -1.26 -4.91 113.70 117.04 3mug s SER 121 Ca 0.54 1.78 0.17 0.00 0.48 0.00 0.00 55.95 58.92 3mug s SER 121 Cb -0.47 -2.52 1.11 0.00 0.10 0.00 0.00 66.02 64.24 3mug s SER 121 CO 0.61 -1.35 2.02 0.77 0.98 0.00 0.00 173.24 176.28 3mug h SER 122 N -0.04 0.00 -0.43 7.02 4.64 -1.99 -1.98 113.55 120.77 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 1.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3mug h SER 122 CO 0.56 0.16 0.18 -0.33 -0.87 0.00 0.00 176.83 176.53 3mug h GLU 123 N 0.00 0.63 -0.31 4.77 5.08 -1.99 -1.79 114.58 120.97 3mug h GLU 123 Ca -0.00 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 3mug h GLU 123 Cb 0.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3mug h GLU 123 CO 0.02 0.57 -0.13 1.49 -1.00 0.00 0.00 179.01 179.96 3mug h GLU 124 N 0.54 0.63 -0.84 2.33 4.81 -1.72 -2.80 114.58 117.53 3mug h GLU 124 Ca 0.14 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3mug h GLU 124 Cb 0.16 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 3mug h GLU 124 CO -0.01 0.84 0.55 -0.07 -0.73 0.00 0.00 179.01 179.59 3mug h LEU 125 N 0.39 0.88 -0.80 1.64 3.38 -1.20 -0.17 115.31 119.42 3mug h LEU 125 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3mug h LEU 125 Cb 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3mug h LEU 125 CO 0.04 0.59 0.00 1.56 0.09 0.00 0.00 178.44 180.72 3mug h GLN 126 N 1.01 0.00 -0.46 1.13 4.20 -1.23 -2.08 115.11 117.69 3mug h GLN 126 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3mug h GLN 126 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3mug h GLN 126 CO -0.11 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.05 3mug n ALA 127 N -1.89 2.43 -3.33 3.87 0.00 -0.12 -4.93 120.51 116.54 3mug n ALA 127 Ca 0.02 -0.84 -0.23 0.00 0.00 0.00 0.00 53.44 52.40 3mug n ALA 127 Cb 0.30 -0.97 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 0.91 -6.17 -4.14 0.00 2.85 -0.78 -5.02 115.26 102.91 3mug n ASN 128 Ca 0.17 -0.42 -0.10 0.00 -0.11 0.00 0.00 54.58 54.12 3mug n ASN 128 Cb 0.42 -4.88 -0.10 0.00 1.24 0.00 0.00 39.78 36.46 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 -6.02 0.75 -0.17 1.20 1.02 -0.94 -4.66 119.74 110.91 3mug s LYS 129 Ca 0.46 -1.26 -0.09 0.00 0.02 0.00 0.00 55.97 55.10 3mug s LYS 129 Cb -0.20 -0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.07 3mug s LYS 129 CO 0.56 -0.04 0.41 0.00 -0.92 0.00 0.00 175.35 175.37 3mug s ALA 130 N -3.53 -1.06 -0.03 5.17 0.00 -1.06 -2.78 121.76 118.47 3mug s ALA 130 Ca 0.09 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 3mug s ALA 130 Cb 0.05 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.22 3mug s ALA 130 CO -0.06 -0.32 0.03 0.99 0.00 0.00 0.00 175.76 176.40 3mug s THR 131 N 1.55 0.05 -0.16 0.00 2.01 -1.26 -1.10 115.64 116.72 3mug s THR 131 Ca -0.09 0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 3mug s THR 131 Cb -0.09 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.17 3mug s THR 131 CO -0.13 0.15 0.46 -0.76 -0.69 0.00 0.00 174.62 173.65 3mug s LEU 132 N 1.48 4.21 -0.22 4.42 1.43 -0.48 -3.26 118.68 126.27 3mug s LEU 132 Ca -0.04 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3mug s LEU 132 Cb -0.13 -2.63 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3mug s LEU 132 CO -0.03 -0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.70 3mug s VAL 133 N 1.06 2.74 -0.31 -1.59 1.01 -0.61 -1.66 120.40 121.04 3mug s VAL 133 Ca 0.23 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3mug s VAL 133 Cb -0.15 -2.28 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3mug s VAL 133 CO 0.09 0.38 0.10 0.00 0.00 0.00 0.00 175.10 175.67 3mug s LEU 135 N 1.49 3.59 -0.26 0.00 1.43 0.12 -1.34 118.68 123.72 3mug s LEU 135 Ca 0.02 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 3mug s LEU 135 Cb -0.18 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3mug s LEU 135 CO 0.03 0.03 -0.03 -0.63 0.23 0.00 0.00 176.35 175.98 3mug s ILE 136 N 1.22 3.16 0.14 -0.59 1.01 -0.12 -0.72 121.20 125.31 3mug s ILE 136 Ca 0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3mug s ILE 136 Cb -0.14 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3mug s ILE 136 CO 0.04 0.19 0.06 -0.94 0.00 0.00 0.00 174.94 174.29 3mug s SER 137 N 1.38 0.34 -1.54 3.58 1.04 -0.35 0.01 113.70 118.16 3mug s SER 137 Ca 0.01 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.18 3mug s SER 137 Cb -0.17 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3mug s SER 137 CO -0.03 -0.73 0.37 0.47 0.98 0.00 0.00 173.24 174.30 3mug n ASP 138 N -0.12 -5.57 -4.93 7.02 8.00 -1.07 -0.68 116.55 119.21 3mug n ASP 138 Ca -0.05 -0.18 -0.25 0.00 0.71 0.00 0.00 54.79 55.02 3mug n ASP 138 Cb 0.64 -4.57 -0.03 0.00 -0.02 0.00 0.00 41.12 37.14 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 -3.06 3.42 -0.23 1.24 -0.12 -0.92 -4.54 117.98 113.77 3mug s PHE 139 Ca 0.20 0.07 -0.11 0.00 -0.05 0.00 0.00 56.93 57.04 3mug s PHE 139 Cb -0.09 -1.62 0.08 0.00 -0.63 0.00 0.00 43.02 40.76 3mug s PHE 139 CO 0.25 0.50 0.55 -0.47 -0.05 0.00 0.00 175.22 176.00 3mug s TYR 140 N -1.80 -0.91 0.92 3.49 5.04 -0.23 -1.24 117.35 122.62 3mug s TYR 140 Ca 0.34 1.79 -0.11 0.00 -2.44 0.00 0.00 57.07 56.64 3mug s TYR 140 Cb -0.10 0.49 0.14 0.00 0.35 0.00 0.00 41.96 42.84 3mug s TYR 140 CO 0.28 -0.48 1.09 -2.14 -1.34 0.00 0.00 175.55 172.96 3mug s PRO 141 N 1.89 1.03 -1.38 4.97 0.02 -1.26 -1.45 135.00 138.81 3mug s PRO 141 Ca -0.08 0.97 -0.11 0.00 0.02 0.00 0.00 61.00 61.81 3mug s PRO 141 Cb -0.08 -1.77 -0.06 0.00 0.02 0.00 0.00 34.50 32.60 3mug s PRO 141 CO -0.16 -2.44 2.57 0.41 -0.33 0.00 0.00 177.00 177.05 3mug n GLY 142 N -0.67 3.92 3.16 0.52 0.00 -1.26 -4.78 105.19 106.07 3mug n GLY 142 Ca 0.07 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 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 2.83 -0.87 0.05 4.61 0.00 -1.26 -4.69 121.76 122.42 3mug s ALA 143 Ca 0.58 1.27 -0.01 0.00 0.00 0.00 0.00 51.96 53.80 3mug s ALA 143 Cb 0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 3mug s ALA 143 CO -0.05 -0.55 -0.02 0.14 0.00 0.00 0.00 175.76 175.28 3mug s VAL 144 N 2.14 0.20 -0.16 0.00 -7.23 -1.26 -4.68 120.40 109.42 3mug s VAL 144 Ca -0.03 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3mug s VAL 144 Cb -0.11 -1.37 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 3mug s VAL 144 CO -0.11 -0.93 -0.13 -0.89 -0.31 0.00 0.00 175.10 172.73 3mug s THR 145 N -3.64 2.89 -0.18 5.32 2.01 -0.30 -4.97 115.64 116.78 3mug s THR 145 Ca 0.04 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 3mug s THR 145 Cb 0.06 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.32 3mug s THR 145 CO -0.09 0.51 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.58 3mug s VAL 146 N 0.75 3.34 -0.02 3.82 1.01 -1.26 -0.52 120.40 127.52 3mug s VAL 146 Ca -0.05 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.45 3mug s VAL 146 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3mug s VAL 146 CO 0.01 0.47 -0.17 0.00 0.00 0.00 0.00 175.10 175.41 3mug s ALA 147 N 0.93 1.45 0.06 5.51 0.00 0.13 -4.99 121.76 124.85 3mug s ALA 147 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3mug s ALA 147 Cb -0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3mug s ALA 147 CO 0.00 0.33 -0.04 -1.58 0.00 0.00 0.00 175.76 174.47 3mug s TRP 148 N -0.29 2.91 -0.02 0.00 0.52 -1.26 -0.08 118.94 120.72 3mug s TRP 148 Ca 0.04 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.13 3mug s TRP 148 Cb -0.08 -1.55 0.00 0.00 -1.15 0.00 0.00 33.47 30.70 3mug s TRP 148 CO -0.00 0.43 -0.07 0.15 0.02 0.00 0.00 176.95 177.49 3mug s LYS 149 N -1.94 0.72 -0.34 4.98 1.02 -0.53 -1.46 119.74 122.20 3mug s LYS 149 Ca 0.22 -0.23 -0.09 0.00 0.02 0.00 0.00 55.97 55.89 3mug s LYS 149 Cb -0.11 -0.70 0.02 0.00 -0.52 0.00 0.00 37.83 36.52 3mug s LYS 149 CO 0.13 0.09 0.15 0.00 -0.92 0.00 0.00 175.35 174.79 3mug s ALA 150 N 0.18 3.18 0.00 5.17 0.00 0.09 -0.48 121.76 129.89 3mug s ALA 150 Ca -0.02 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.33 3mug s ALA 150 Cb -0.07 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.67 3mug s ALA 150 CO 0.00 -1.19 0.00 -0.25 0.00 0.00 0.00 175.76 174.32 3mug n ASP 151 N 4.92 0.00 -0.00 0.00 8.00 0.54 -2.22 116.55 127.79 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 -0.06 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 10.66 1.95 -4.75 -2.24 7.64 -1.26 -4.71 113.62 120.91 3mug n SER 152 Ca 0.00 -0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.21 3mug n SER 152 Cb 0.00 1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 64.41 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 -2.62 7.62 0.54 6.43 1.04 -0.94 -4.98 113.70 120.78 3mug s SER 153 Ca -0.01 1.94 -0.17 0.00 0.48 0.00 0.00 55.95 58.19 3mug s SER 153 Cb 0.06 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 3mug s SER 153 CO 0.38 0.12 1.03 -2.16 0.98 0.00 0.00 173.24 173.59 3mug s PRO 154 N -1.05 3.66 -0.14 4.02 0.04 -1.26 -0.73 135.00 139.54 3mug s PRO 154 Ca 0.42 1.17 -0.00 0.00 0.04 0.00 0.00 61.00 62.62 3mug s PRO 154 Cb -0.26 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3mug s PRO 154 CO 0.32 -0.53 -0.06 0.14 0.04 0.00 0.00 177.00 176.91 3mug s VAL 155 N -2.37 1.05 -0.07 -0.36 -7.23 -0.53 -4.78 120.40 106.12 3mug s VAL 155 Ca 0.63 -0.45 0.19 0.00 -1.81 0.00 0.00 61.98 60.55 3mug s VAL 155 Cb -0.14 -1.15 -0.29 0.00 0.56 0.00 0.00 36.38 35.36 3mug s VAL 155 CO 0.30 0.25 0.34 0.29 -0.31 0.00 0.00 175.10 175.97 3mug n LYS 156 N 4.91 0.70 -2.52 4.82 5.02 -1.26 -4.39 118.16 125.45 3mug n LYS 156 Ca -0.12 -0.14 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 3mug n LYS 156 Cb 0.49 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.97 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 -3.14 3.39 -0.18 7.82 0.00 -1.26 -3.67 121.76 124.72 3mug s ALA 157 Ca -0.08 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3mug s ALA 157 Cb 0.11 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3mug s ALA 157 CO 0.82 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.87 3mug n GLY 158 N 1.39 0.52 3.73 0.00 0.00 -1.26 -4.86 105.19 104.70 3mug n GLY 158 Ca -0.01 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.92 5.33 -0.08 1.61 1.01 -1.24 -1.44 120.40 123.66 3mug s VAL 159 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 3mug s VAL 159 Cb 0.00 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3mug s VAL 159 CO 0.00 0.40 0.02 -1.61 0.00 0.00 0.00 175.10 173.91 3mug s GLU 160 N 0.43 0.46 -0.03 2.72 0.41 -0.66 -4.99 118.70 117.04 3mug s GLU 160 Ca 0.15 0.10 0.07 0.00 -0.41 0.00 0.00 54.97 54.87 3mug s GLU 160 Cb -0.13 -1.05 -0.02 0.00 -1.78 0.00 0.00 34.13 31.16 3mug s GLU 160 CO 0.03 -0.36 -0.25 0.99 -0.49 0.00 0.00 175.26 175.17 3mug s THR 161 N 2.01 2.04 0.56 3.63 2.01 -1.26 -0.10 115.64 124.53 3mug s THR 161 Ca 0.04 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 60.89 3mug s THR 161 Cb -0.13 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3mug s THR 161 CO -0.05 0.57 0.89 0.42 -0.69 0.00 0.00 174.62 175.76 3mug s THR 162 N -0.43 4.31 0.04 -0.82 -4.23 0.16 -5.00 115.64 109.67 3mug s THR 162 Ca 0.05 0.25 -0.24 0.00 -1.18 0.00 0.00 61.69 60.56 3mug s THR 162 Cb -0.11 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 3mug s THR 162 CO 0.01 -0.74 0.73 -0.89 -0.54 0.00 0.00 174.62 173.19 3mug s THR 163 N -2.95 4.74 0.32 3.99 2.01 -1.26 -4.58 115.64 117.92 3mug s THR 163 Ca 0.52 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 63.79 3mug s THR 163 Cb -0.11 -4.08 -0.13 0.00 0.01 0.00 0.00 72.50 68.20 3mug s THR 163 CO 0.47 0.39 1.18 -2.65 -0.69 0.00 0.00 174.62 173.32 3mug n PRO 164 N 2.68 1.83 -4.18 4.92 -0.02 -1.26 -4.86 135.00 134.11 3mug n PRO 164 Ca -0.04 0.64 -0.17 0.00 -2.02 0.00 0.00 63.50 61.91 3mug n PRO 164 Cb 0.50 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.39 1.67 0.28 2.55 1.04 -0.69 -4.91 113.70 113.24 3mug s SER 165 Ca 0.57 -0.70 -0.30 0.00 0.48 0.00 0.00 55.95 56.00 3mug s SER 165 Cb -0.62 -0.04 -0.10 0.00 0.10 0.00 0.00 66.02 65.36 3mug s SER 165 CO 0.61 -0.14 1.46 -0.54 0.98 0.00 0.00 173.24 175.62 3mug s LYS 166 N -2.16 4.23 -0.69 4.02 1.02 -1.26 -1.57 119.74 123.33 3mug s LYS 166 Ca 0.02 2.37 -0.02 0.00 0.02 0.00 0.00 55.97 58.36 3mug s LYS 166 Cb -0.07 -3.08 0.40 0.00 -0.52 0.00 0.00 37.83 34.57 3mug s LYS 166 CO 0.02 -0.45 2.05 0.00 -0.92 0.00 0.00 175.35 176.05 3mug n GLN 167 N 1.96 2.66 0.00 1.68 10.64 0.20 -4.85 117.38 129.67 3mug n GLN 167 Ca 0.06 -3.24 0.00 0.00 -1.83 0.00 0.00 57.00 51.98 3mug n GLN 167 Cb 0.40 -2.25 0.00 0.00 -0.86 0.00 0.00 30.24 27.53 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 -0.72 0.00 -0.98 2.61 3.41 -1.26 -4.61 113.62 112.06 3mug n SER 168 Ca 0.59 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 3mug n SER 168 Cb 0.54 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.55 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 1.88 2.49 0.00 4.04 0.23 -1.26 -4.86 115.26 117.78 3mug n ASN 170 Ca 0.00 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.82 3mug n ASN 170 Cb 0.00 -0.55 0.00 0.00 -2.08 0.00 0.00 39.78 37.15 3mug n ASN 170 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3mug n ASN 171 N 0.16 0.00 -4.91 0.53 3.02 -1.26 -4.99 115.26 107.80 3mug n ASN 171 Ca 0.08 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.36 3mug n ASN 171 Cb 0.56 -1.32 0.02 0.00 -0.61 0.00 0.00 39.78 38.44 3mug n ASN 171 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mug s LYS 172 N -0.34 3.12 0.07 3.52 3.01 -1.26 -4.79 119.74 123.07 3mug s LYS 172 Ca 0.00 0.07 0.02 0.00 -1.01 0.00 0.00 55.97 55.05 3mug s LYS 172 Cb 0.00 -2.30 -0.04 0.00 -1.01 0.00 0.00 37.83 34.48 3mug s LYS 172 CO 0.00 -0.55 0.12 0.71 0.51 0.00 0.00 175.35 176.14 3mug s TYR 173 N -2.92 3.30 0.09 3.18 2.02 -0.37 0.62 117.35 123.27 3mug s TYR 173 Ca 0.52 0.14 0.06 0.00 -0.37 0.00 0.00 57.07 57.42 3mug s TYR 173 Cb -0.10 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 3mug s TYR 173 CO 0.45 0.55 -0.16 0.00 -1.57 0.00 0.00 175.55 174.82 3mug s ALA 174 N -1.42 1.40 0.16 3.71 0.00 -0.61 -2.16 121.76 122.84 3mug s ALA 174 Ca 0.31 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 3mug s ALA 174 Cb -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.86 3mug s ALA 174 CO 0.24 0.21 0.32 0.00 0.00 0.00 0.00 175.76 176.53 3mug s ALA 175 N -1.35 -0.26 0.00 0.00 0.00 0.10 -1.70 121.76 118.56 3mug s ALA 175 Ca 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 51.96 51.27 3mug s ALA 175 Cb -0.09 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 3mug s ALA 175 CO 0.03 -0.65 0.05 -1.54 0.00 0.00 0.00 175.76 173.64 3mug s SER 176 N -2.92 0.10 -0.00 0.00 1.04 -1.26 -0.94 113.70 109.71 3mug s SER 176 Ca 0.13 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.33 3mug s SER 176 Cb 0.03 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 3mug s SER 176 CO -0.03 -0.26 -0.08 -0.55 0.98 0.00 0.00 173.24 173.30 3mug s SER 177 N -1.09 0.92 -0.02 7.02 0.15 -0.45 -0.67 113.70 119.57 3mug s SER 177 Ca -0.12 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.42 3mug s SER 177 Cb -0.07 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 3mug s SER 177 CO 0.00 0.08 -0.20 -0.31 1.20 0.00 0.00 173.24 174.01 3mug s TYR 178 N -0.25 1.80 -0.29 3.44 2.02 0.86 -0.72 117.35 124.22 3mug s TYR 178 Ca 0.02 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 3mug s TYR 178 Cb -0.03 -1.17 0.07 0.00 -0.40 0.00 0.00 41.96 40.43 3mug s TYR 178 CO -0.00 -0.05 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.71 3mug s LEU 179 N -0.40 3.90 -0.08 -1.29 2.96 -0.67 -1.65 118.68 121.46 3mug s LEU 179 Ca 0.06 -1.61 -0.22 0.00 -0.22 0.00 0.00 54.13 52.14 3mug s LEU 179 Cb -0.08 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 3mug s LEU 179 CO -0.00 -0.26 0.63 -0.44 -1.32 0.00 0.00 176.35 174.96 3mug s SER 180 N 1.08 6.89 0.22 3.68 0.01 -0.52 -1.38 113.70 123.69 3mug s SER 180 Ca -0.03 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.31 3mug s SER 180 Cb -0.20 -2.37 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3mug s SER 180 CO -0.05 -0.08 0.08 -0.76 0.41 0.00 0.00 173.24 172.83 3mug s LEU 181 N 0.75 1.66 0.38 2.44 1.43 -0.26 -4.69 118.68 120.39 3mug s LEU 181 Ca 0.34 -1.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.03 3mug s LEU 181 Cb -0.17 0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.09 3mug s LEU 181 CO 0.16 -0.71 0.71 0.42 0.23 0.00 0.00 176.35 177.15 3mug s THR 182 N -3.83 4.86 0.57 5.49 -4.23 -1.26 -2.58 115.64 114.66 3mug s THR 182 Ca 0.34 0.43 0.26 0.00 -1.18 0.00 0.00 61.69 61.55 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 -0.48 2.13 -0.65 -0.54 0.00 0.00 174.62 175.18 3mug h PRO 183 N 1.32 0.00 -0.20 3.99 0.11 -1.83 -2.54 132.00 132.85 3mug h PRO 183 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 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 -0.15 0.93 -0.21 0.00 0.00 178.00 179.21 3mug h GLU 184 N 0.00 0.46 -0.71 1.05 3.07 -1.98 -2.79 114.58 113.68 3mug h GLU 184 Ca 0.07 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.69 3mug h GLU 184 Cb 0.35 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 3mug h GLU 184 CO -0.00 0.78 0.38 1.96 -1.40 0.00 0.00 179.01 180.73 3mug h GLN 185 N 0.13 0.99 -0.85 2.33 4.20 -1.85 -1.54 115.11 118.53 3mug h GLN 185 Ca 0.04 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3mug h GLN 185 Cb 0.68 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 3mug h GLN 185 CO 0.04 0.75 0.55 2.35 -0.67 0.00 0.00 178.83 181.85 3mug h TRP 186 N 0.98 1.03 0.00 2.96 2.91 -1.50 -2.30 115.95 120.03 3mug h TRP 186 Ca 0.25 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.29 3mug h TRP 186 Cb 0.05 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.36 3mug h TRP 186 CO -0.00 0.61 -0.32 0.87 -1.03 0.00 0.00 178.44 178.57 3mug h LYS 187 N 1.08 0.00 0.00 2.65 1.57 -1.29 -3.34 116.57 117.24 3mug h LYS 187 Ca 0.33 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.08 3mug h LYS 187 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3mug h LYS 187 CO -0.10 0.00 -0.16 0.77 -0.57 0.00 0.00 179.45 179.38 3mug h SER 188 N 0.00 0.00 -3.57 0.86 0.02 -0.69 -3.46 113.55 106.72 3mug h SER 188 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 3mug h SER 188 Cb 0.79 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.17 3mug h SER 188 CO 0.00 0.16 -0.74 -1.00 -1.14 0.00 0.00 176.83 174.12 3mug s HIS 189 N -3.31 2.75 0.22 3.45 3.76 -1.19 -5.05 115.29 115.92 3mug s HIS 189 Ca 0.04 -0.15 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 3mug s HIS 189 Cb 0.07 -1.45 0.20 0.00 1.11 0.00 0.00 32.58 32.52 3mug s HIS 189 CO 0.66 0.42 1.53 1.57 -0.85 0.00 0.00 174.74 178.07 3mug h LYS 190 N 3.69 0.23 -3.53 1.40 -0.00 -1.89 -3.42 116.57 113.05 3mug h LYS 190 Ca -0.49 -0.17 -0.05 0.00 -0.00 0.00 0.00 60.65 59.94 3mug h LYS 190 Cb 1.17 0.03 -0.10 0.00 -0.00 0.00 0.00 32.23 33.32 3mug h LYS 190 CO 0.52 0.80 -0.09 -1.54 -0.00 0.00 0.00 179.45 179.15 3mug s SER 191 N -6.90 -0.14 -0.01 7.07 1.04 -1.26 -4.21 113.70 109.29 3mug s SER 191 Ca -0.04 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.71 3mug s SER 191 Cb 0.12 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3mug s SER 191 CO 0.80 -1.04 -0.03 -0.31 0.98 0.00 0.00 173.24 173.64 3mug s TYR 192 N -3.93 0.30 0.03 5.02 1.51 -0.24 -0.34 117.35 119.69 3mug s TYR 192 Ca 0.14 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.21 3mug s TYR 192 Cb -0.00 -0.23 -0.02 0.00 -0.11 0.00 0.00 41.96 41.60 3mug s TYR 192 CO 0.01 -0.03 -0.17 -1.12 -1.11 0.00 0.00 175.55 173.13 3mug s SER 193 N 0.12 2.01 -0.25 2.29 0.01 0.37 -1.30 113.70 116.94 3mug s SER 193 Ca -0.01 -0.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.79 3mug s SER 193 Cb -0.03 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3mug s SER 193 CO -0.00 0.12 -0.04 0.00 0.41 0.00 0.00 173.24 173.73 3mug s GLN 195 N 1.37 3.17 -0.16 0.00 0.74 0.89 -1.82 119.66 123.85 3mug s GLN 195 Ca 0.01 -0.77 -0.01 0.00 0.05 0.00 0.00 55.36 54.64 3mug s GLN 195 Cb -0.16 -3.13 -0.01 0.00 1.10 0.00 0.00 33.01 30.80 3mug s GLN 195 CO -0.03 -0.32 -0.11 0.08 -0.55 0.00 0.00 175.29 174.36 3mug s VAL 196 N 1.45 3.09 -0.16 1.34 1.01 0.23 -0.70 120.40 126.67 3mug s VAL 196 Ca 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3mug s VAL 196 Cb -0.16 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 3mug s VAL 196 CO -0.01 0.50 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 3mug s THR 197 N 0.71 3.43 -0.06 3.92 2.01 0.32 -1.22 115.64 124.76 3mug s THR 197 Ca -0.05 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.41 3mug s THR 197 Cb -0.15 -2.49 0.04 0.00 0.01 0.00 0.00 72.50 69.91 3mug s THR 197 CO 0.02 0.49 0.10 -2.28 -0.69 0.00 0.00 174.62 172.26 3mug s HIS 198 N 0.59 -0.06 -1.40 4.92 2.46 0.04 -1.15 115.29 120.69 3mug s HIS 198 Ca -0.05 0.41 -0.04 0.00 0.47 0.00 0.00 55.06 55.84 3mug s HIS 198 Cb -0.15 -0.32 0.03 0.00 -0.13 0.00 0.00 32.58 32.01 3mug s HIS 198 CO 0.03 -0.21 0.73 0.39 -2.47 0.00 0.00 174.74 173.21 3mug n GLU 199 N 5.06 -4.76 0.00 2.88 -0.58 -1.26 -1.60 120.64 120.37 3mug n GLU 199 Ca -0.09 0.57 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3mug n GLU 199 Cb 0.50 -5.15 0.00 0.00 -0.57 0.00 0.00 31.44 26.22 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 -1.67 1.81 3.90 0.62 0.00 -1.26 -4.99 105.19 103.61 3mug n GLY 200 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.88 6.48 -0.02 1.61 0.01 -0.63 -5.11 113.70 113.17 3mug s SER 203 Ca 0.00 0.54 0.05 0.00 1.31 0.00 0.00 55.95 57.85 3mug s SER 203 Cb 0.00 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 3mug s SER 203 CO 0.00 0.10 -0.15 -0.89 0.41 0.00 0.00 173.24 172.71 3mug s THR 204 N -1.58 1.23 -0.10 1.44 2.01 -1.26 -0.78 115.64 116.59 3mug s THR 204 Ca 0.38 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.75 3mug s THR 204 Cb -0.12 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 3mug s THR 204 CO 0.24 0.35 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.63 3mug s VAL 205 N -0.30 2.48 -0.10 3.82 1.01 -0.35 -4.99 120.40 121.96 3mug s VAL 205 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3mug s VAL 205 Cb -0.07 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.36 3mug s VAL 205 CO -0.00 0.55 -0.09 -0.70 0.00 0.00 0.00 175.10 174.86 3mug s GLU 206 N 0.17 1.59 0.03 2.72 2.12 -1.26 -0.60 118.70 123.46 3mug s GLU 206 Ca -0.11 -0.31 0.04 0.00 0.36 0.00 0.00 54.97 54.95 3mug s GLU 206 Cb -0.16 -1.53 -0.04 0.00 0.26 0.00 0.00 34.13 32.67 3mug s GLU 206 CO 0.06 -0.17 -0.05 0.15 -0.54 0.00 0.00 175.26 174.71 3mug s LYS 207 N 1.35 2.52 -0.02 4.30 -0.14 -0.76 -4.99 119.74 122.01 3mug s LYS 207 Ca -0.02 -0.77 0.05 0.00 -1.36 0.00 0.00 55.97 53.88 3mug s LYS 207 Cb -0.14 -2.50 -0.01 0.00 -1.68 0.00 0.00 37.83 33.50 3mug s LYS 207 CO -0.04 0.58 -0.17 0.99 -0.76 0.00 0.00 175.35 175.95 3mug s THR 208 N -1.09 1.38 0.07 2.17 2.01 -1.26 -1.81 115.64 117.11 3mug s THR 208 Ca 0.19 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.54 3mug s THR 208 Cb -0.11 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 3mug s THR 208 CO 0.10 0.39 -0.20 0.68 -0.69 0.00 0.00 174.62 174.90 3mug s VAL 209 N -0.30 1.64 0.05 3.82 -7.23 -0.42 -5.00 120.40 112.96 3mug s VAL 209 Ca 0.04 -1.37 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 3mug s VAL 209 Cb -0.08 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 3mug s VAL 209 CO -0.00 0.04 -0.17 0.00 -0.31 0.00 0.00 175.10 174.66 3mug s ALA 210 N -1.01 1.44 -0.42 1.32 0.00 -1.26 -1.08 121.76 120.75 3mug s ALA 210 Ca 0.06 -0.95 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 3mug s ALA 210 Cb -0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 3mug s ALA 210 CO 0.03 0.29 2.23 -2.14 0.00 0.00 0.00 175.76 176.17 3mug s PRO 211 N -1.21 2.56 0.00 0.00 0.02 -1.26 -5.05 135.00 130.05 3mug s PRO 211 Ca 0.04 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.52 3mug s PRO 211 Cb -0.08 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.97 3mug s PRO 211 CO 0.02 -2.77 0.22 0.25 -0.33 0.00 0.00 177.00 174.39