#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mud s GLY 0 N 0.00 1.78 0.23 5.00 0.00 -1.26 -4.65 107.32 108.41 3mud s GLY 0 Ca 0.00 -0.82 0.08 0.00 0.00 0.00 0.00 44.72 43.99 3mud s GLY 0 CO 0.00 -0.77 -0.15 -0.54 0.00 0.00 0.00 173.10 171.64 3mud s GLU 2 N -3.38 1.42 0.17 2.90 2.02 -0.49 -5.00 118.70 116.34 3mud s GLU 2 Ca 0.39 -1.64 -0.09 0.00 0.02 0.00 0.00 54.97 53.64 3mud s GLU 2 Cb -0.11 -1.25 -0.01 0.00 0.10 0.00 0.00 34.13 32.86 3mud s GLU 2 CO 0.29 0.20 0.30 -0.98 0.02 0.00 0.00 175.26 175.10 3mud s ARG 3 N -3.63 1.19 -0.01 1.61 1.70 -1.26 -1.09 118.95 117.46 3mud s ARG 3 Ca 0.24 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 3mud s ARG 3 Cb -0.01 0.39 0.02 0.00 -0.57 0.00 0.00 34.95 34.77 3mud s ARG 3 CO 0.09 -0.44 0.01 0.21 -1.08 0.00 0.00 175.30 174.08 3mud s LYS 4 N -3.97 0.07 -0.16 3.89 2.36 0.31 -4.99 119.74 117.25 3mud s LYS 4 Ca 0.18 0.08 -0.02 0.00 -2.55 0.00 0.00 55.97 53.66 3mud s LYS 4 Cb 0.03 -0.23 -0.02 0.00 -1.05 0.00 0.00 37.83 36.56 3mud s LYS 4 CO 0.01 -0.09 -0.08 0.42 1.55 0.00 0.00 175.35 177.15 3mud s ILE 5 N 0.66 3.39 0.06 5.43 1.01 -1.26 -0.96 121.20 129.53 3mud s ILE 5 Ca -0.06 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3mud s ILE 5 Cb -0.08 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3mud s ILE 5 CO -0.02 0.49 -0.12 -0.44 0.00 0.00 0.00 174.94 174.86 3mud s SER 6 N 0.64 1.34 0.21 3.58 0.01 0.29 -4.97 113.70 114.80 3mud s SER 6 Ca -0.05 -0.57 -0.30 0.00 1.31 0.00 0.00 55.95 56.34 3mud s SER 6 Cb -0.15 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 3mud s SER 6 CO 0.03 -0.12 1.00 -0.13 0.41 0.00 0.00 173.24 174.43 3mud s ARG 7 N -1.61 4.74 0.04 12.44 0.52 -1.26 0.26 118.95 134.07 3mud s ARG 7 Ca -0.05 1.58 -0.00 0.00 -0.52 0.00 0.00 55.73 56.74 3mud s ARG 7 Cb -0.10 -3.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.06 3mud s ARG 7 CO 0.01 0.32 -0.03 0.96 0.02 0.00 0.00 175.30 176.58 3mud s ILE 8 N -0.77 0.18 -0.18 1.52 -4.36 0.54 -4.87 121.20 113.26 3mud s ILE 8 Ca 0.44 -1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 59.43 3mud s ILE 8 Cb -0.27 -0.88 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3mud s ILE 8 CO 0.34 -0.74 -0.01 -1.00 0.24 0.00 0.00 174.94 173.77 3mud s HIS 9 N -2.65 3.05 0.03 1.37 3.76 -1.26 -0.96 115.29 118.64 3mud s HIS 9 Ca -0.05 -0.33 -0.21 0.00 -0.15 0.00 0.00 55.06 54.31 3mud s HIS 9 Cb -0.01 -2.03 -0.06 0.00 1.11 0.00 0.00 32.58 31.59 3mud s HIS 9 CO -0.05 -0.11 0.64 -0.51 -0.85 0.00 0.00 174.74 173.85 3mud s LEU 10 N 0.67 4.46 0.35 0.89 1.43 -1.26 -4.16 118.68 121.05 3mud s LEU 10 Ca -0.01 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.40 3mud s LEU 10 Cb -0.14 -3.00 0.66 0.00 0.03 0.00 0.00 46.19 43.73 3mud s LEU 10 CO 0.02 0.12 1.97 0.58 0.23 0.00 0.00 176.35 179.28 3mud h VAL 11 N 3.96 1.09 0.10 -1.59 2.07 -1.48 -2.55 116.25 117.85 3mud h VAL 11 Ca -0.46 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3mud h VAL 11 Cb 1.20 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3mud h VAL 11 CO 0.68 0.16 -0.05 0.28 0.02 0.00 0.00 177.57 178.66 3mud h SER 12 N 0.85 -0.12 -2.45 0.57 0.02 -1.88 -3.37 113.55 107.17 3mud h SER 12 Ca 0.30 -0.07 -0.65 0.00 -0.84 0.00 0.00 61.79 60.52 3mud h SER 12 Cb 0.10 0.03 -0.39 0.00 0.14 0.00 0.00 62.40 62.28 3mud h SER 12 CO -0.09 -0.00 -0.31 -0.62 -1.14 0.00 0.00 176.83 174.67 3mud n GLU 13 N -5.11 2.84 0.19 3.45 -0.58 -0.98 -4.93 120.64 115.52 3mud n GLU 13 Ca -0.08 -4.63 0.13 0.00 -0.42 0.00 0.00 57.16 52.16 3mud n GLU 13 Cb 0.12 -2.32 0.38 0.00 -0.57 0.00 0.00 31.44 29.05 3mud n GLU 13 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 3mud h PRO 14 N 4.59 0.00 -0.13 3.49 0.13 -1.67 -3.30 132.00 135.12 3mud h PRO 14 Ca 0.19 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.20 3mud h PRO 14 Cb 0.67 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3mud h PRO 14 CO 0.92 0.00 -0.44 0.66 -0.23 0.00 0.00 178.00 178.91 3mud h SER 15 N 0.00 0.32 -2.17 1.44 4.64 -1.92 -3.45 113.55 112.41 3mud h SER 15 Ca 0.00 -0.15 -0.57 0.00 -0.47 0.00 0.00 61.79 60.61 3mud h SER 15 Cb 0.76 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 62.65 3mud h SER 15 CO 0.00 0.73 -0.66 0.27 -0.87 0.00 0.00 176.83 176.30 3mud s ILE 16 N -4.09 3.22 -0.04 0.95 -4.36 -1.24 -5.12 121.20 110.52 3mud s ILE 16 Ca -0.05 -1.99 -0.22 0.00 -0.26 0.00 0.00 60.65 58.13 3mud s ILE 16 Cb 0.13 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.04 3mud s ILE 16 CO 0.79 -0.36 0.63 -0.89 0.24 0.00 0.00 174.94 175.34 3mud s THR 17 N -2.37 4.99 0.33 8.37 2.01 -1.26 -4.71 115.64 123.00 3mud s THR 17 Ca 0.32 1.30 0.07 0.00 0.31 0.00 0.00 61.69 63.69 3mud s THR 17 Cb -0.06 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 3mud s THR 17 CO 0.19 0.34 0.28 -1.00 -0.69 0.00 0.00 174.62 173.74 3mud s HIS 18 N 0.32 2.92 -0.02 4.92 3.76 -0.13 -4.86 115.29 122.20 3mud s HIS 18 Ca 0.33 -0.28 0.06 0.00 -0.15 0.00 0.00 55.06 55.02 3mud s HIS 18 Cb -0.18 -1.76 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 3mud s HIS 18 CO 0.17 0.22 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.03 3mud s PHE 19 N -2.29 2.55 -0.15 1.40 0.08 -0.72 -0.34 117.98 118.52 3mud s PHE 19 Ca 0.40 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 57.18 3mud s PHE 19 Cb -0.06 -1.56 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 3mud s PHE 19 CO 0.26 0.12 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.20 3mud s LEU 20 N -0.81 2.62 -0.20 -0.37 2.96 0.14 -2.02 118.68 121.01 3mud s LEU 20 Ca 0.11 -0.40 -0.02 0.00 -0.22 0.00 0.00 54.13 53.61 3mud s LEU 20 Cb -0.10 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.99 3mud s LEU 20 CO 0.01 0.11 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.46 3mud s GLN 21 N 0.66 3.22 -0.08 1.98 0.74 0.56 -0.54 119.66 126.20 3mud s GLN 21 Ca -0.07 -0.71 0.04 0.00 0.05 0.00 0.00 55.36 54.67 3mud s GLN 21 Cb -0.15 -2.81 0.00 0.00 1.10 0.00 0.00 33.01 31.15 3mud s GLN 21 CO 0.02 -0.18 -0.20 0.08 -0.55 0.00 0.00 175.29 174.46 3mud s VAL 22 N 1.34 1.76 0.01 1.34 1.01 -0.13 -0.38 120.40 125.35 3mud s VAL 22 Ca 0.04 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3mud s VAL 22 Cb -0.14 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 3mud s VAL 22 CO -0.07 0.49 -0.06 -0.94 0.00 0.00 0.00 175.10 174.53 3mud s SER 23 N 0.37 0.71 0.29 3.32 1.04 -0.17 -0.53 113.70 118.73 3mud s SER 23 Ca -0.15 -0.27 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 3mud s SER 23 Cb -0.17 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 3mud s SER 23 CO 0.07 -0.04 0.35 -1.66 0.98 0.00 0.00 173.24 172.94 3mud s TRP 24 N -0.60 1.11 -0.10 5.02 -2.14 -0.25 -0.87 118.94 121.11 3mud s TRP 24 Ca -0.03 -1.29 -0.07 0.00 2.66 0.00 0.00 56.10 57.37 3mud s TRP 24 Cb -0.05 -0.28 -0.02 0.00 -3.10 0.00 0.00 33.47 30.01 3mud s TRP 24 CO 0.00 -0.94 -0.14 -1.91 -2.66 0.00 0.00 176.95 171.30 3mud n GLU 25 N -0.47 0.31 0.00 3.25 4.07 -1.26 -1.39 120.64 125.15 3mud n GLU 25 Ca 0.02 0.39 0.00 0.00 -0.06 0.00 0.00 57.16 57.51 3mud n GLU 25 Cb 0.63 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 3mud n GLU 25 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3mud n LYS 26 N -3.85 0.00 -4.16 5.31 4.76 -1.26 -4.18 118.16 114.78 3mud n LYS 26 Ca -0.06 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.28 3mud n LYS 26 Cb 0.21 -0.59 -0.10 0.00 -1.84 0.00 0.00 35.03 32.70 3mud n LYS 26 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3mud s THR 27 N -1.97 0.55 0.50 -0.18 2.01 -1.26 -5.04 115.64 110.26 3mud s THR 27 Ca 0.00 -1.91 0.21 0.00 0.31 0.00 0.00 61.69 60.30 3mud s THR 27 Cb 0.00 -1.72 0.27 0.00 0.01 0.00 0.00 72.50 71.06 3mud s THR 27 CO 0.00 -0.83 2.12 0.25 -0.69 0.00 0.00 174.62 175.47 3mud h LEU 28 N 2.97 0.00 -1.63 4.42 5.85 -1.97 -3.16 115.31 121.79 3mud h LEU 28 Ca -0.35 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.42 3mud h LEU 28 Cb 1.17 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3mud h LEU 28 CO 0.64 0.07 0.34 -0.33 -0.34 0.00 0.00 178.44 178.82 3mud h GLU 29 N 0.00 0.45 -0.15 1.25 5.08 -1.96 -2.39 114.58 116.87 3mud h GLU 29 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3mud h GLU 29 Cb 0.14 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3mud h GLU 29 CO 0.01 0.30 0.00 -1.13 -1.00 0.00 0.00 179.01 177.19 3mud n SER 30 N -4.47 0.89 0.00 1.42 3.41 -1.19 -4.36 113.62 109.31 3mud n SER 30 Ca 0.07 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3mud n SER 30 Cb 0.23 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3mud n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mud n GLY 31 N 0.82 2.92 3.27 5.00 0.00 -0.90 -3.81 105.19 112.49 3mud n GLY 31 Ca 0.08 -1.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 3mud n GLY 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mud s PHE 32 N -2.79 -0.01 -0.13 1.61 -0.12 -0.06 -4.46 117.98 112.01 3mud s PHE 32 Ca 0.00 -0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 56.47 3mud s PHE 32 Cb 0.00 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3mud s PHE 32 CO 0.00 -0.63 0.04 0.08 -0.05 0.00 0.00 175.22 174.66 3mud s VAL 33 N -3.84 4.58 -0.08 -2.49 1.01 -0.05 -0.89 120.40 118.65 3mud s VAL 33 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3mud s VAL 33 Cb 0.03 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.43 3mud s VAL 33 CO -0.11 0.54 -0.10 -0.51 0.00 0.00 0.00 175.10 174.92 3mud s ILE 34 N -0.31 1.05 -0.07 2.22 2.07 0.09 -0.99 121.20 125.26 3mud s ILE 34 Ca 0.08 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.97 3mud s ILE 34 Cb -0.12 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3mud s ILE 34 CO 0.02 0.35 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.32 3mud s THR 35 N 1.01 1.56 -0.05 4.00 2.01 0.49 -0.97 115.64 123.69 3mud s THR 35 Ca -0.08 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3mud s THR 35 Cb -0.15 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 3mud s THR 35 CO -0.00 0.45 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.10 3mud s LEU 36 N 0.30 3.22 0.01 4.42 2.96 0.46 -0.32 118.68 129.73 3mud s LEU 36 Ca -0.11 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 3mud s LEU 36 Cb -0.15 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 44.81 3mud s LEU 36 CO 0.05 0.34 0.18 0.28 -1.32 0.00 0.00 176.35 175.88 3mud s THR 37 N -0.87 0.08 -0.34 3.68 -1.32 -0.85 -0.45 115.64 115.57 3mud s THR 37 Ca 0.14 -0.68 0.12 0.00 -1.21 0.00 0.00 61.69 60.06 3mud s THR 37 Cb -0.11 -0.54 0.32 0.00 -1.51 0.00 0.00 72.50 70.66 3mud s THR 37 CO 0.03 -0.38 1.24 -0.90 -2.21 0.00 0.00 174.62 172.41 3mud n ASP 38 N 1.29 2.96 0.00 8.08 5.68 -1.12 -1.76 116.55 131.69 3mud n ASP 38 Ca -0.22 -2.56 0.00 0.00 -0.50 0.00 0.00 54.79 51.51 3mud n ASP 38 Cb 0.56 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 3mud n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mud n GLY 39 N -0.41 1.35 1.14 6.12 0.00 -1.26 -4.79 105.19 107.33 3mud n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mud n GLY 39 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3mud n HIS 40 N -2.00 -0.12 -4.20 1.61 -0.00 -1.26 -5.06 115.22 104.19 3mud n HIS 40 Ca 0.00 0.02 -0.24 0.00 -0.00 0.00 0.00 57.72 57.50 3mud n HIS 40 Cb 0.00 0.06 -0.07 0.00 -0.00 0.00 0.00 29.99 29.98 3mud n HIS 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 3mud s SER 41 N -5.35 4.45 -0.01 0.26 0.01 -1.26 -4.71 113.70 107.09 3mud s SER 41 Ca 0.00 -0.89 -0.04 0.00 1.31 0.00 0.00 55.95 56.33 3mud s SER 41 Cb 0.00 -0.62 -0.00 0.00 0.21 0.00 0.00 66.02 65.61 3mud s SER 41 CO 0.00 -0.30 0.07 0.00 0.41 0.00 0.00 173.24 173.43 3mud s ALA 42 N -2.48 -0.17 -0.05 1.44 0.00 -1.26 -2.78 121.76 116.46 3mud s ALA 42 Ca 0.37 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3mud s ALA 42 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3mud s ALA 42 CO 0.21 -0.13 -0.13 -1.58 0.00 0.00 0.00 175.76 174.14 3mud s TRP 43 N -0.82 1.39 -0.00 0.00 0.51 0.40 -0.53 118.94 119.89 3mud s TRP 43 Ca -0.09 -0.43 0.03 0.00 -2.12 0.00 0.00 56.10 53.49 3mud s TRP 43 Cb -0.05 -0.98 -0.01 0.00 -0.81 0.00 0.00 33.47 31.62 3mud s TRP 43 CO 0.00 -0.19 -0.09 0.99 -0.51 0.00 0.00 176.95 177.15 3mud s THR 44 N 0.32 0.73 0.21 2.01 2.01 -0.33 -0.40 115.64 120.18 3mud s THR 44 Ca -0.08 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 3mud s THR 44 Cb -0.12 -0.62 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 3mud s THR 44 CO 0.02 0.17 0.22 -0.83 -0.69 0.00 0.00 174.62 173.51 3mud s GLY 45 N -0.32 1.14 0.01 4.40 0.00 -0.14 -0.92 107.32 111.49 3mud s GLY 45 Ca 0.03 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 43.37 3mud s GLY 45 CO -0.00 -1.17 -0.18 -1.59 0.00 0.00 0.00 173.10 170.15 3mud s THR 46 N -4.11 1.44 -0.13 0.90 2.01 -1.26 -0.73 115.64 113.76 3mud s THR 46 Ca 0.33 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.42 3mud s THR 46 Cb 0.05 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 71.35 3mud s THR 46 CO 0.10 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.49 3mud s VAL 47 N -0.59 1.49 0.62 3.82 1.01 -0.07 -4.95 120.40 121.73 3mud s VAL 47 Ca 0.06 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 3mud s VAL 47 Cb -0.08 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.93 3mud s VAL 47 CO 0.00 0.44 0.94 -0.94 0.00 0.00 0.00 175.10 175.54 3mud s SER 48 N 1.33 5.45 0.17 3.32 1.04 -1.26 -0.89 113.70 122.86 3mud s SER 48 Ca 0.01 0.71 -0.16 0.00 0.48 0.00 0.00 55.95 56.99 3mud s SER 48 Cb -0.13 -1.62 0.12 0.00 0.10 0.00 0.00 66.02 64.49 3mud s SER 48 CO -0.07 -1.18 1.69 -0.08 0.98 0.00 0.00 173.24 174.58 3mud h GLU 49 N -0.29 0.08 -0.61 4.02 4.81 -1.76 -2.03 114.58 118.80 3mud h GLU 49 Ca -0.45 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 3mud h GLU 49 Cb 1.27 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 3mud h GLU 49 CO 0.61 0.05 0.09 0.66 -0.73 0.00 0.00 179.01 179.69 3mud h SER 50 N 0.09 0.95 -0.86 1.04 4.64 -1.93 -1.87 113.55 115.60 3mud h SER 50 Ca 0.21 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3mud h SER 50 Cb 0.30 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.10 3mud h SER 50 CO -0.36 0.96 0.52 -0.33 -0.87 0.00 0.00 176.83 176.75 3mud h GLU 51 N 0.93 1.18 -0.13 4.77 5.08 -1.86 -0.00 114.58 124.55 3mud h GLU 51 Ca 0.19 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3mud h GLU 51 Cb 0.42 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3mud h GLU 51 CO 0.01 0.82 0.04 0.82 -1.00 0.00 0.00 179.01 179.71 3mud h ILE 52 N 1.20 1.17 -0.36 3.13 2.04 -1.03 -1.89 117.51 121.77 3mud h ILE 52 Ca 0.31 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 3mud h ILE 52 Cb -0.05 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3mud h ILE 52 CO -0.06 0.16 0.08 0.28 0.00 0.00 0.00 178.15 178.61 3mud h SER 53 N 0.03 0.48 -0.21 1.72 0.02 -1.04 -2.27 113.55 112.29 3mud h SER 53 Ca 0.04 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.76 3mud h SER 53 Cb 0.21 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3mud h SER 53 CO -0.00 0.50 -0.51 -0.61 -1.14 0.00 0.00 176.83 175.06 3mud h GLN 54 N 0.52 0.72 -0.52 3.45 5.75 -0.92 -2.52 115.11 121.58 3mud h GLN 54 Ca 0.12 -0.49 -0.00 0.00 -0.15 0.00 0.00 58.65 58.13 3mud h GLN 54 Cb 0.22 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 3mud h GLN 54 CO -0.00 1.11 0.32 1.49 -2.65 0.00 0.00 178.83 179.10 3mud h GLU 55 N 0.43 0.71 -0.07 1.69 4.57 -1.12 0.18 114.58 120.98 3mud h GLU 55 Ca -0.00 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 3mud h GLU 55 Cb 1.13 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.54 3mud h GLU 55 CO 0.11 0.52 -0.07 0.00 -1.18 0.00 0.00 179.01 178.39 3mud h ALA 56 N 1.15 -0.01 -0.67 2.92 0.00 -1.43 -2.28 119.26 118.94 3mud h ALA 56 Ca 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3mud h ALA 56 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mud h ALA 56 CO -0.04 -0.54 0.21 0.22 0.00 0.00 0.00 179.25 179.11 3mud h ASP 57 N -0.09 0.98 -0.80 0.00 3.58 -1.12 -1.34 116.42 117.62 3mud h ASP 57 Ca 0.05 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.30 3mud h ASP 57 Cb 0.16 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 3mud h ASP 57 CO -0.12 0.93 0.53 0.44 -2.88 0.00 0.00 179.24 178.14 3mud h ASP 58 N 0.98 0.92 0.96 2.28 3.32 -0.48 -2.09 116.42 122.31 3mud h ASP 58 Ca 0.22 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3mud h ASP 58 Cb 0.30 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3mud h ASP 58 CO -0.01 0.66 -0.21 0.23 -1.72 0.00 0.00 179.24 178.19 3mud n MET 59 N -4.42 0.10 -3.62 3.56 2.81 -0.87 -4.95 117.12 109.73 3mud n MET 59 Ca 0.09 0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.80 3mud n MET 59 Cb 0.03 -1.59 0.07 0.00 -0.71 0.00 0.00 33.22 31.02 3mud n MET 59 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3mud n ALA 60 N -1.61 -1.46 -2.76 3.04 0.00 -0.69 -5.04 120.51 111.99 3mud n ALA 60 Ca 0.06 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.42 3mud n ALA 60 Cb 0.37 -4.70 -0.10 0.00 0.00 0.00 0.00 19.45 15.02 3mud n ALA 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3mud s MET 61 N -6.18 3.26 0.38 0.00 -2.45 -0.59 -5.03 119.30 108.69 3mud s MET 61 Ca 0.47 -0.41 -0.26 0.00 -1.25 0.00 0.00 55.69 54.24 3mud s MET 61 Cb -0.21 -2.89 -0.11 0.00 1.25 0.00 0.00 34.83 32.87 3mud s MET 61 CO 0.75 0.56 1.12 -1.91 1.05 0.00 0.00 175.02 176.59 3mud n GLU 62 N 2.59 1.64 -0.20 4.11 0.00 -1.26 -4.37 120.64 123.15 3mud n GLU 62 Ca -0.18 0.58 -0.06 0.00 0.00 0.00 0.00 57.16 57.50 3mud n GLU 62 Cb 0.53 -2.13 0.04 0.00 0.00 0.00 0.00 31.44 29.87 3mud n GLU 62 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3mud h LYS 63 N 1.95 0.72 -0.65 5.31 1.63 -1.97 -1.25 116.57 122.31 3mud h LYS 63 Ca -0.45 -0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 59.28 3mud h LYS 63 Cb 1.32 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 3mud h LYS 63 CO 0.59 0.48 0.27 0.78 -3.45 0.00 0.00 179.45 178.12 3mud h GLY 64 N 0.74 1.04 0.97 5.01 0.00 -2.00 -2.30 103.07 106.53 3mud h GLY 64 Ca 0.21 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 3mud h GLY 64 CO -0.06 0.53 0.20 1.70 0.00 0.00 0.00 176.54 178.90 3mud h LYS 65 N 0.92 0.72 -0.40 4.80 3.64 -1.81 -1.77 116.57 122.67 3mud h LYS 65 Ca 0.22 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3mud h LYS 65 Cb 0.20 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3mud h LYS 65 CO -0.02 0.65 0.24 -0.92 -2.27 0.00 0.00 179.45 177.12 3mud h TYR 66 N 0.64 0.54 -0.74 1.91 3.20 -1.11 -0.29 116.97 121.11 3mud h TYR 66 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 3mud h TYR 66 Cb 0.19 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3mud h TYR 66 CO 0.00 0.39 0.46 0.28 -1.64 0.00 0.00 178.16 177.65 3mud h VAL 67 N 0.53 1.21 -0.93 1.81 2.07 -1.33 -1.25 116.25 118.35 3mud h VAL 67 Ca 0.14 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3mud h VAL 67 Cb 0.01 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.88 3mud h VAL 67 CO -0.03 0.21 0.60 1.23 0.02 0.00 0.00 177.57 179.61 3mud h GLY 68 N 1.02 1.37 1.33 2.17 0.00 -0.87 -2.00 103.07 106.09 3mud h GLY 68 Ca 0.27 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 3mud h GLY 68 CO -0.05 0.29 -0.27 0.83 0.00 0.00 0.00 176.54 177.34 3mud h GLU 69 N 1.04 0.76 -0.78 4.80 4.39 -0.21 -2.26 114.58 122.30 3mud h GLU 69 Ca 0.41 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.73 3mud h GLU 69 Cb 0.23 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3mud h GLU 69 CO -0.16 0.94 0.31 -0.07 -1.16 0.00 0.00 179.01 178.87 3mud h LEU 70 N 0.65 1.08 -0.09 1.33 3.38 -0.82 -0.54 115.31 120.30 3mud h LEU 70 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3mud h LEU 70 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3mud h LEU 70 CO 0.07 0.96 0.05 0.03 0.09 0.00 0.00 178.44 179.63 3mud h ARG 71 N 1.14 0.10 -0.50 1.13 3.08 -1.15 0.27 114.38 118.44 3mud h ARG 71 Ca 0.26 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3mud h ARG 71 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3mud h ARG 71 CO -0.02 0.07 0.22 0.87 -1.07 0.00 0.00 179.97 180.04 3mud h LYS 72 N 0.10 0.74 -0.10 0.04 1.57 -1.26 -0.81 116.57 116.85 3mud h LYS 72 Ca 0.03 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 3mud h LYS 72 Cb -0.00 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.19 3mud h LYS 72 CO -0.02 0.63 -0.51 0.00 -0.57 0.00 0.00 179.45 178.99 3mud h ALA 73 N 1.07 0.19 0.00 3.86 0.00 -1.01 -2.70 119.26 120.67 3mud h ALA 73 Ca 0.17 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3mud h ALA 73 Cb 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3mud h ALA 73 CO -0.02 0.38 -1.91 1.28 0.00 0.00 0.00 179.25 178.98 3mud n LEU 74 N -4.23 0.00 -0.72 0.00 4.77 0.93 -4.38 117.00 113.37 3mud n LEU 74 Ca -0.08 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.97 3mud n LEU 74 Cb 0.60 0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.91 3mud n LEU 74 CO 0.46 0.02 0.66 0.18 -1.33 0.00 0.00 177.39 177.38 3mud n LEU 75 N -2.20 3.32 -3.13 2.23 4.77 -0.31 -4.83 117.00 116.83 3mud n LEU 75 Ca -0.05 -2.47 -0.22 0.00 -0.03 0.00 0.00 56.01 53.24 3mud n LEU 75 Cb 0.54 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3mud n LEU 75 CO 0.41 0.70 0.08 -0.24 -1.33 0.00 0.00 177.39 177.01 3mud n SER 76 N -0.01 -6.15 -1.20 -1.43 2.88 -1.24 -4.90 113.62 101.57 3mud n SER 76 Ca 0.16 -0.36 0.11 0.00 -1.33 0.00 0.00 58.87 57.44 3mud n SER 76 Cb 0.63 -4.90 0.28 0.00 -0.75 0.00 0.00 64.21 59.47 3mud n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mud n GLY 77 N -1.67 2.46 3.76 0.46 0.00 -1.10 -5.00 105.19 104.10 3mud n GLY 77 Ca -0.07 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3mud n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mud s ALA 78 N -1.04 3.68 0.53 4.61 0.00 -1.04 -4.64 121.76 123.86 3mud s ALA 78 Ca 0.43 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3mud s ALA 78 Cb 0.23 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3mud s ALA 78 CO 0.30 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3mud n GLY 79 N 1.44 0.62 0.14 0.00 0.00 -1.26 -5.00 105.19 101.13 3mud n GLY 79 Ca 0.05 -1.39 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 3mud n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mud h PRO 80 N 0.00 0.40 -0.75 1.61 0.13 -2.05 -3.39 132.00 127.93 3mud h PRO 80 Ca 0.00 -0.68 -0.37 0.00 -0.87 0.00 0.00 66.00 64.09 3mud h PRO 80 Cb 0.00 0.25 -0.22 0.00 0.13 0.00 0.00 31.00 31.16 3mud h PRO 80 CO 0.00 1.32 0.37 0.00 -0.23 0.00 0.00 178.00 179.47 3mud n ALA 81 N -2.83 5.03 -3.66 -0.56 0.00 -1.26 -4.91 120.51 112.33 3mud n ALA 81 Ca -0.22 -2.89 -0.30 0.00 0.00 0.00 0.00 53.44 50.03 3mud n ALA 81 Cb 1.03 -1.19 -0.17 0.00 0.00 0.00 0.00 19.45 19.12 3mud n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mud s ASP 82 N -1.66 2.64 -0.11 0.00 1.01 -1.26 -5.04 116.67 112.24 3mud s ASP 82 Ca 0.53 -0.48 0.02 0.00 0.71 0.00 0.00 52.55 53.33 3mud s ASP 82 Cb 0.45 -1.19 0.01 0.00 1.01 0.00 0.00 42.92 43.20 3mud s ASP 82 CO 0.08 0.03 -0.18 -0.69 0.21 0.00 0.00 175.17 174.62 3mud s VAL 83 N 0.93 1.71 -0.07 -1.27 1.01 -1.26 -4.73 120.40 116.73 3mud s VAL 83 Ca -0.07 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.18 3mud s VAL 83 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3mud s VAL 83 CO -0.02 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 175.03 3mud s TYR 84 N 0.81 2.53 0.03 5.22 2.02 -1.26 -0.61 117.35 126.09 3mud s TYR 84 Ca -0.09 -0.71 0.07 0.00 -0.37 0.00 0.00 57.07 55.97 3mud s TYR 84 Cb -0.16 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.72 3mud s TYR 84 CO 0.00 -0.21 -0.18 0.95 -1.57 0.00 0.00 175.55 174.54 3mud s THR 85 N -0.08 2.76 -0.01 -0.71 -4.23 -0.78 -4.97 115.64 107.62 3mud s THR 85 Ca -0.05 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.37 3mud s THR 85 Cb -0.14 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.53 3mud s THR 85 CO 0.04 0.36 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.91 3mud s PHE 86 N -0.90 1.92 0.00 3.99 0.40 -1.26 -1.45 117.98 120.69 3mud s PHE 86 Ca 0.14 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 3mud s PHE 86 Cb -0.10 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.18 3mud s PHE 86 CO 0.05 -0.03 -0.08 -0.80 0.70 0.00 0.00 175.22 175.05 3mud s ASN 87 N -0.53 0.99 -0.06 1.36 0.01 0.20 -1.03 114.94 115.88 3mud s ASN 87 Ca 0.08 -0.21 -0.02 0.00 -0.71 0.00 0.00 52.86 52.00 3mud s ASN 87 Cb -0.08 -0.09 0.04 0.00 0.41 0.00 0.00 41.25 41.52 3mud s ASN 87 CO -0.01 0.06 0.11 0.12 -1.51 0.00 0.00 177.10 175.88 3mud s PHE 88 N -0.35 -0.09 -0.32 2.20 5.36 -1.26 -1.39 117.98 122.13 3mud s PHE 88 Ca 0.02 0.40 -0.14 0.00 -0.96 0.00 0.00 56.93 56.25 3mud s PHE 88 Cb -0.04 -0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.37 3mud s PHE 88 CO -0.00 -0.18 0.30 0.45 -1.46 0.00 0.00 175.22 174.32 3mud s SER 89 N 1.66 6.13 0.40 6.13 0.15 -0.51 -4.84 113.70 122.81 3mud s SER 89 Ca -0.03 -0.19 0.27 0.00 0.70 0.00 0.00 55.95 56.70 3mud s SER 89 Cb -0.12 -2.17 0.90 0.00 -1.71 0.00 0.00 66.02 62.92 3mud s SER 89 CO -0.05 -0.24 1.79 0.11 1.20 0.00 0.00 173.24 176.05 3mud h LYS 90 N 8.42 0.00 0.51 5.44 1.57 -1.96 0.37 116.57 130.93 3mud h LYS 90 Ca -0.31 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 3mud h LYS 90 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.47 3mud h LYS 90 CO 0.65 0.00 -0.25 0.93 -0.57 0.00 0.00 179.45 180.21 3mud h GLU 91 N 0.00 -0.67 0.00 3.15 5.08 -1.97 -3.34 114.58 116.83 3mud h GLU 91 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3mud h GLU 91 Cb 0.66 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3mud h GLU 91 CO 0.00 -0.37 -0.69 -1.13 -1.00 0.00 0.00 179.01 175.82 3mud n SER 92 N -5.26 0.60 -2.31 1.42 3.41 -1.23 -4.95 113.62 105.30 3mud n SER 92 Ca -0.10 -0.23 -0.19 0.00 -0.26 0.00 0.00 58.87 58.08 3mud n SER 92 Cb 0.31 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.69 3mud n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mud s TYR 94 N -2.99 3.30 -0.20 0.00 5.04 -1.09 -0.20 117.35 121.20 3mud s TYR 94 Ca 0.08 0.46 -0.05 0.00 -2.44 0.00 0.00 57.07 55.13 3mud s TYR 94 Cb -0.04 -2.52 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 3mud s TYR 94 CO 0.10 -0.12 -0.01 0.12 -1.34 0.00 0.00 175.55 174.31 3mud s PHE 95 N 1.68 3.02 0.01 4.97 2.19 0.43 -1.43 117.98 128.86 3mud s PHE 95 Ca 0.16 -0.51 0.01 0.00 0.33 0.00 0.00 56.93 56.92 3mud s PHE 95 Cb -0.15 -2.08 -0.01 0.00 -1.31 0.00 0.00 43.02 39.47 3mud s PHE 95 CO 0.09 -0.27 -0.04 -0.59 1.83 0.00 0.00 175.22 176.23 3mud s PHE 96 N 1.03 0.39 0.07 10.12 -0.12 -0.49 -0.72 117.98 128.27 3mud s PHE 96 Ca 0.02 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 56.67 3mud s PHE 96 Cb -0.14 -0.25 -0.03 0.00 -0.63 0.00 0.00 43.02 41.97 3mud s PHE 96 CO 0.01 -0.06 -0.10 -0.59 -0.05 0.00 0.00 175.22 174.44 3mud s PHE 97 N -0.68 0.93 0.11 3.49 -0.71 -0.78 -0.63 117.98 119.71 3mud s PHE 97 Ca -0.05 -0.60 0.06 0.00 -1.04 0.00 0.00 56.93 55.31 3mud s PHE 97 Cb -0.05 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 3mud s PHE 97 CO -0.00 -0.04 -0.16 -1.21 -1.34 0.00 0.00 175.22 172.47 3mud s GLU 98 N -2.32 1.02 -0.21 1.99 2.02 -0.53 -0.67 118.70 120.00 3mud s GLU 98 Ca -0.00 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 53.71 3mud s GLU 98 Cb -0.06 -1.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 3mud s GLU 98 CO -0.00 0.22 0.15 0.21 0.02 0.00 0.00 175.26 175.86 3mud s LYS 99 N -2.28 4.16 -0.32 1.61 2.20 -0.10 -1.87 119.74 123.14 3mud s LYS 99 Ca 0.06 -0.22 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 3mud s LYS 99 Cb -0.07 -3.46 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 3mud s LYS 99 CO 0.03 0.22 0.15 -0.80 -0.36 0.00 0.00 175.35 174.60 3mud s ASN 100 N 0.59 5.54 0.61 1.43 0.01 0.22 -1.37 114.94 121.96 3mud s ASN 100 Ca 0.08 -0.64 0.05 0.00 -0.71 0.00 0.00 52.86 51.65 3mud s ASN 100 Cb -0.12 -1.99 0.11 0.00 0.41 0.00 0.00 41.25 39.66 3mud s ASN 100 CO 0.00 -0.23 0.81 0.18 -1.51 0.00 0.00 177.10 176.35 3mud n LEU 101 N 4.97 0.00 -0.19 0.60 4.77 0.14 -4.05 117.00 123.24 3mud n LEU 101 Ca -0.14 -2.12 -0.05 0.00 -0.03 0.00 0.00 56.01 53.67 3mud n LEU 101 Cb 0.48 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3mud n LEU 101 CO 0.34 -0.80 1.08 0.50 -1.33 0.00 0.00 177.39 177.18 3mud h LYS 102 N 0.00 0.65 -0.00 3.23 3.64 -1.98 -3.28 116.57 118.83 3mud h LYS 102 Ca -0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3mud h LYS 102 Cb 1.12 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 3mud h LYS 102 CO 0.34 0.43 -0.16 -0.40 -2.27 0.00 0.00 179.45 177.38 3mud n ASP 103 N -4.77 0.61 -3.70 4.20 3.85 -1.26 -5.04 116.55 110.44 3mud n ASP 103 Ca 0.04 -0.80 -0.13 0.00 -0.71 0.00 0.00 54.79 53.19 3mud n ASP 103 Cb 0.07 0.70 -0.07 0.00 -1.35 0.00 0.00 41.12 40.47 3mud n ASP 103 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3mud s VAL 104 N -1.16 0.05 0.18 2.12 0.11 -1.24 -5.17 120.40 115.30 3mud s VAL 104 Ca 0.03 -0.44 0.07 0.00 -2.93 0.00 0.00 61.98 58.71 3mud s VAL 104 Cb 0.04 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 3mud s VAL 104 CO 0.16 -0.24 -0.13 -0.94 -3.33 0.00 0.00 175.10 170.61 3mud s SER 105 N -1.65 2.35 -0.00 3.54 1.04 -1.26 0.24 113.70 117.96 3mud s SER 105 Ca -0.09 -1.00 -0.10 0.00 0.48 0.00 0.00 55.95 55.24 3mud s SER 105 Cb -0.02 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.00 3mud s SER 105 CO 0.02 -0.20 0.20 0.72 0.98 0.00 0.00 173.24 174.95 3mud s PHE 106 N -2.98 -0.04 0.01 5.02 -0.71 -0.47 -4.98 117.98 113.83 3mud s PHE 106 Ca 0.20 0.01 -0.30 0.00 -1.04 0.00 0.00 56.93 55.80 3mud s PHE 106 Cb -0.00 0.01 -0.07 0.00 -1.21 0.00 0.00 43.02 41.75 3mud s PHE 106 CO 0.05 -0.33 1.57 0.50 -1.34 0.00 0.00 175.22 175.67 3mud s ARG 107 N -1.37 4.22 -0.06 1.99 3.52 -1.26 -0.92 118.95 125.06 3mud s ARG 107 Ca -0.14 2.17 0.16 0.00 -0.13 0.00 0.00 55.73 57.79 3mud s ARG 107 Cb -0.07 -3.70 -0.22 0.00 -1.56 0.00 0.00 34.95 29.41 3mud s ARG 107 CO 0.03 -0.71 0.50 -0.11 -0.81 0.00 0.00 175.30 174.19 3mud n LEU 108 N 5.95 0.51 -3.60 -0.88 7.94 0.16 -4.89 117.00 122.18 3mud n LEU 108 Ca 0.15 0.23 0.00 0.00 -1.11 0.00 0.00 56.01 55.29 3mud n LEU 108 Cb 0.42 0.24 -0.01 0.00 0.53 0.00 0.00 43.42 44.60 3mud n LEU 108 CO 0.61 0.32 1.13 -0.83 -1.11 0.00 0.00 177.39 177.52 3mud s GLY 109 N -5.09 -0.37 -0.29 -3.96 0.00 -1.17 -5.00 107.32 91.43 3mud s GLY 109 Ca -0.06 1.24 -0.14 0.00 0.00 0.00 0.00 44.72 45.76 3mud s GLY 109 CO 0.83 0.34 0.79 -1.35 0.00 0.00 0.00 173.10 173.71 3mud s SER 110 N -2.61 -0.86 0.16 1.64 1.04 -1.26 -1.86 113.70 109.96 3mud s SER 110 Ca 0.13 1.26 0.05 0.00 0.48 0.00 0.00 55.95 57.88 3mud s SER 110 Cb 0.03 1.71 -0.04 0.00 0.10 0.00 0.00 66.02 67.82 3mud s SER 110 CO -0.05 -0.19 -0.11 0.72 0.98 0.00 0.00 173.24 174.59 3mud s PHE 111 N 2.16 1.40 -0.19 5.02 -0.12 0.10 -4.96 117.98 121.38 3mud s PHE 111 Ca -0.07 -0.70 -0.18 0.00 -0.05 0.00 0.00 56.93 55.93 3mud s PHE 111 Cb -0.07 -0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 41.60 3mud s PHE 111 CO -0.18 0.16 0.48 1.21 -0.05 0.00 0.00 175.22 176.84 3mud s ASN 112 N -3.19 6.53 -0.29 1.98 3.84 -1.26 -0.43 114.94 122.13 3mud s ASN 112 Ca 0.18 0.64 -0.01 0.00 0.21 0.00 0.00 52.86 53.88 3mud s ASN 112 Cb 0.01 -2.27 0.05 0.00 -0.55 0.00 0.00 41.25 38.49 3mud s ASN 112 CO 0.02 -0.14 -0.03 -0.76 -2.79 0.00 0.00 177.10 173.41 3mud s LEU 113 N 1.47 3.75 0.23 3.21 1.43 0.72 -4.36 118.68 125.13 3mud s LEU 113 Ca 0.23 -1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 51.84 3mud s LEU 113 Cb -0.15 -1.67 -0.08 0.00 0.03 0.00 0.00 46.19 44.31 3mud s LEU 113 CO 0.09 -0.24 0.75 -1.83 0.23 0.00 0.00 176.35 175.36 3mud s GLU 114 N 1.22 4.31 0.14 1.70 -1.05 -0.10 -4.44 118.70 120.47 3mud s GLU 114 Ca -0.06 0.94 -0.31 0.00 -0.15 0.00 0.00 54.97 55.38 3mud s GLU 114 Cb -0.20 -2.90 -0.10 0.00 -0.44 0.00 0.00 34.13 30.50 3mud s GLU 114 CO -0.02 0.40 1.65 0.21 0.95 0.00 0.00 175.26 178.44 3mud s LYS 115 N -1.92 4.19 0.30 -4.83 2.20 -1.26 -1.19 119.74 117.23 3mud s LYS 115 Ca 0.43 2.42 -0.26 0.00 -0.36 0.00 0.00 55.97 58.20 3mud s LYS 115 Cb -0.17 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.74 3mud s LYS 115 CO 0.22 -0.69 0.92 0.08 -0.36 0.00 0.00 175.35 175.52 3mud s VAL 116 N 1.72 4.23 -0.18 4.02 1.01 0.31 -4.93 120.40 126.57 3mud s VAL 116 Ca 0.73 1.81 0.17 0.00 0.00 0.00 0.00 61.98 64.69 3mud s VAL 116 Cb -0.44 -4.03 0.04 0.00 0.00 0.00 0.00 36.38 31.95 3mud s VAL 116 CO 0.32 0.19 1.29 -0.33 0.00 0.00 0.00 175.10 176.57 3mud h GLU 117 N 3.31 0.00 -2.39 2.72 5.08 -1.93 -3.39 114.58 117.97 3mud h GLU 117 Ca -0.47 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.29 3mud h GLU 117 Cb 1.19 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 30.03 3mud h GLU 117 CO 0.65 0.37 -0.67 -1.71 -1.00 0.00 0.00 179.01 176.65 3mud n ASN 118 N -3.10 2.92 -0.11 1.42 2.85 -1.26 -4.94 115.26 113.05 3mud n ASN 118 Ca -0.01 -3.24 -0.02 0.00 -0.11 0.00 0.00 54.58 51.20 3mud n ASN 118 Cb 0.73 -0.68 0.22 0.00 1.24 0.00 0.00 39.78 41.28 3mud n ASN 118 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3mud h PRO 119 N 4.52 0.78 -0.86 1.20 0.13 -1.87 -2.60 132.00 133.30 3mud h PRO 119 Ca 0.18 -0.15 0.06 0.00 -0.87 0.00 0.00 66.00 65.22 3mud h PRO 119 Cb 0.72 -0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.67 3mud h PRO 119 CO 0.74 0.69 0.56 0.00 -0.23 0.00 0.00 178.00 179.76 3mud h ALA 120 N 1.40 1.55 -0.47 -0.56 0.00 -1.92 -0.09 119.26 119.17 3mud h ALA 120 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mud h ALA 120 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mud h ALA 120 CO -0.01 0.32 0.15 1.49 0.00 0.00 0.00 179.25 181.21 3mud h GLU 121 N 0.97 0.73 -0.42 0.00 4.81 -1.89 0.37 114.58 119.16 3mud h GLU 121 Ca 0.37 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3mud h GLU 121 Cb 0.20 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mud h GLU 121 CO -0.13 0.69 0.13 0.28 -0.73 0.00 0.00 179.01 179.25 3mud h VAL 122 N 0.63 1.22 -0.30 0.32 2.07 -1.14 -2.23 116.25 116.82 3mud h VAL 122 Ca 0.15 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3mud h VAL 122 Cb 0.26 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3mud h VAL 122 CO -0.01 0.26 0.15 0.40 0.02 0.00 0.00 177.57 178.39 3mud h ILE 123 N 0.53 1.15 -0.59 4.57 2.04 -0.89 -0.64 117.51 123.68 3mud h ILE 123 Ca 0.13 -0.41 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3mud h ILE 123 Cb 0.27 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3mud h ILE 123 CO -0.00 0.15 0.30 0.03 0.00 0.00 0.00 178.15 178.63 3mud h ARG 124 N 0.35 0.55 -0.50 2.37 3.08 -0.87 0.08 114.38 119.44 3mud h ARG 124 Ca 0.10 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3mud h ARG 124 Cb 0.10 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3mud h ARG 124 CO -0.01 0.36 -0.14 1.49 -1.07 0.00 0.00 179.97 180.59 3mud h GLU 125 N 0.56 0.95 -0.57 0.04 4.22 -1.17 0.71 114.58 119.32 3mud h GLU 125 Ca 0.27 -0.36 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 3mud h GLU 125 Cb 0.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3mud h GLU 125 CO -0.19 1.03 0.33 1.25 -2.18 0.00 0.00 179.01 179.25 3mud h LEU 126 N 0.84 0.69 -0.42 1.64 6.46 -0.53 -1.39 115.31 122.60 3mud h LEU 126 Ca 0.13 -0.07 -0.15 0.00 -0.12 0.00 0.00 57.88 57.66 3mud h LEU 126 Cb 0.70 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 3mud h LEU 126 CO 0.05 0.56 -0.32 0.40 -0.62 0.00 0.00 178.44 178.51 3mud h ILE 127 N 0.77 1.27 -0.82 4.05 2.04 -0.49 -2.30 117.51 122.03 3mud h ILE 127 Ca 0.20 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.64 3mud h ILE 127 Cb 0.00 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3mud h ILE 127 CO -0.04 0.51 0.49 0.00 0.00 0.00 0.00 178.15 179.11 3mud h TYR 129 N 0.86 0.79 -0.54 0.00 3.20 -1.06 0.10 116.97 120.31 3mud h TYR 129 Ca 0.38 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 3mud h TYR 129 Cb 0.26 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3mud h TYR 129 CO -0.05 0.53 0.29 0.00 -1.64 0.00 0.00 178.16 177.29 3mud h LEU 131 N 0.73 0.78 -0.85 0.00 3.38 -0.83 -1.19 115.31 117.32 3mud h LEU 131 Ca 0.19 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3mud h LEU 131 Cb 0.07 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3mud h LEU 131 CO -0.03 0.92 0.56 0.44 0.09 0.00 0.00 178.44 180.41 3mud h ASP 132 N 0.62 0.95 -0.72 -0.43 3.32 -0.87 -1.55 116.42 117.74 3mud h ASP 132 Ca 0.12 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3mud h ASP 132 Cb 0.53 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3mud h ASP 132 CO 0.03 0.67 0.24 0.74 -1.72 0.00 0.00 179.24 179.20 3mud h THR 133 N 1.12 1.26 -0.41 0.35 2.02 -0.90 -2.32 112.91 114.02 3mud h THR 133 Ca 0.32 -0.88 -0.15 0.00 0.77 0.00 0.00 66.41 66.47 3mud h THR 133 Cb -0.08 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3mud h THR 133 CO -0.09 0.35 -0.34 0.74 0.37 0.00 0.00 175.52 176.56 3mud h THR 134 N 1.08 1.27 -0.66 3.16 2.02 -0.91 -0.66 112.91 118.22 3mud h THR 134 Ca 0.24 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 65.93 3mud h THR 134 Cb 0.29 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3mud h THR 134 CO -0.01 0.51 0.42 0.00 0.37 0.00 0.00 175.52 176.81 3mud h ALA 135 N 0.80 0.85 -0.29 6.16 0.00 -1.10 0.54 119.26 126.20 3mud h ALA 135 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mud h ALA 135 Cb 0.93 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3mud h ALA 135 CO 0.09 0.21 0.14 0.87 0.00 0.00 0.00 179.25 180.56 3mud h LYS 248 N 0.85 0.42 -0.55 0.00 1.57 -1.22 -2.09 116.57 115.55 3mud h LYS 248 Ca 0.25 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3mud h LYS 248 Cb -0.04 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3mud h LYS 248 CO -0.08 0.40 0.14 -0.91 -0.57 0.00 0.00 179.45 178.43 3mud h ASN 249 N 0.34 0.78 -0.36 0.86 2.35 -0.86 -1.06 115.58 117.63 3mud h ASN 249 Ca 0.10 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 3mud h ASN 249 Cb 0.11 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3mud h ASN 249 CO -0.01 0.77 0.01 -0.33 -1.65 0.00 0.00 177.43 176.21 3mud h GLU 250 N 0.81 0.73 -0.27 0.81 5.08 -0.78 -0.14 114.58 120.82 3mud h GLU 250 Ca 0.18 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3mud h GLU 250 Cb 0.29 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3mud h GLU 250 CO -0.00 0.74 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.51 3mud h LYS 251 N 0.69 0.49 -0.56 2.33 3.64 -0.94 -1.81 116.57 120.41 3mud h LYS 251 Ca 0.14 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3mud h LYS 251 Cb 0.41 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3mud h LYS 251 CO 0.02 0.67 0.35 0.77 -2.27 0.00 0.00 179.45 178.98 3mud h SER 252 N 0.27 0.57 -0.10 4.20 0.02 -0.90 -0.64 113.55 116.96 3mud h SER 252 Ca 0.07 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3mud h SER 252 Cb 0.46 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3mud h SER 252 CO 0.02 0.40 -0.01 0.40 -1.14 0.00 0.00 176.83 176.50 3mud h ILE 253 N 0.69 0.91 -0.55 3.27 2.04 -1.00 -0.86 117.51 122.02 3mud h ILE 253 Ca 0.22 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.16 3mud h ILE 253 Cb 0.00 0.90 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 3mud h ILE 253 CO -0.09 0.00 0.17 0.44 0.00 0.00 0.00 178.15 178.68 3mud h ASP 254 N 0.01 0.13 -0.71 1.72 3.32 -0.94 0.82 116.42 120.77 3mud h ASP 254 Ca 0.05 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3mud h ASP 254 Cb 0.07 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3mud h ASP 254 CO -0.09 0.09 0.31 0.44 -1.72 0.00 0.00 179.24 178.27 3mud h ASP 255 N 0.33 0.96 -0.34 6.45 3.32 -0.87 -2.37 116.42 123.90 3mud h ASP 255 Ca 0.28 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 3mud h ASP 255 Cb 0.35 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3mud h ASP 255 CO -0.31 0.85 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.70 3mud h LEU 256 N 1.01 0.85 -1.67 1.55 3.38 -0.60 -1.50 115.31 118.33 3mud h LEU 256 Ca 0.24 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3mud h LEU 256 Cb 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3mud h LEU 256 CO -0.02 1.13 0.16 -0.33 0.09 0.00 0.00 178.44 179.46 3mud h GLU 257 N 0.58 0.38 -0.26 1.13 5.08 -0.76 -0.62 114.58 120.11 3mud h GLU 257 Ca 0.06 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3mud h GLU 257 Cb 0.87 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3mud h GLU 257 CO 0.08 0.27 -0.42 1.49 -1.00 0.00 0.00 179.01 179.43 3mud h GLU 258 N 0.39 0.73 -0.70 2.33 4.81 -1.15 -1.99 114.58 119.00 3mud h GLU 258 Ca 0.10 -0.45 -0.03 0.00 -0.13 0.00 0.00 59.36 58.85 3mud h GLU 258 Cb 0.00 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3mud h GLU 258 CO -0.02 1.07 0.31 0.87 -0.73 0.00 0.00 179.01 180.51 3mud h LYS 259 N 0.47 1.02 -0.22 1.92 1.57 -0.73 -1.75 116.57 118.85 3mud h LYS 259 Ca 0.02 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3mud h LYS 259 Cb 1.01 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3mud h LYS 259 CO 0.09 0.82 0.10 0.28 -0.57 0.00 0.00 179.45 180.17 3mud h VAL 260 N 0.98 1.16 -0.85 0.50 2.07 -1.16 -1.06 116.25 117.89 3mud h VAL 260 Ca 0.24 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3mud h VAL 260 Cb 0.16 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 3mud h VAL 260 CO -0.03 0.16 0.51 0.00 0.02 0.00 0.00 177.57 178.23 3mud h ALA 261 N 0.94 1.18 -0.23 1.67 0.00 -1.16 -0.19 119.26 121.47 3mud h ALA 261 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3mud h ALA 261 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3mud h ALA 261 CO -0.01 0.23 -0.30 1.25 0.00 0.00 0.00 179.25 180.41 3mud h HIS 262 N 0.92 0.76 -0.68 0.00 6.17 -1.21 -2.29 115.15 118.82 3mud h HIS 262 Ca 0.38 -0.24 -0.08 0.00 0.71 0.00 0.00 60.37 61.14 3mud h HIS 262 Cb 0.22 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 29.97 3mud h HIS 262 CO -0.04 0.98 0.12 0.00 0.71 0.00 0.00 177.93 179.69 3mud h ALA 263 N 0.65 0.92 -0.52 5.26 0.00 -0.87 -1.30 119.26 123.41 3mud h ALA 263 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3mud h ALA 263 Cb 0.88 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3mud h ALA 263 CO 0.07 0.67 0.03 0.87 0.00 0.00 0.00 179.25 180.89 3mud h LYS 264 N 1.05 0.85 -0.03 0.00 1.57 -1.04 -1.85 116.57 117.12 3mud h LYS 264 Ca 0.21 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3mud h LYS 264 Cb 0.44 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3mud h LYS 264 CO 0.01 0.84 0.01 1.49 -0.57 0.00 0.00 179.45 181.23 3mud h GLU 265 N 0.80 0.05 -0.91 3.15 4.57 -1.19 -1.37 114.58 119.68 3mud h GLU 265 Ca 0.16 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.45 3mud h GLU 265 Cb 0.44 -0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.96 3mud h GLU 265 CO 0.02 0.26 0.59 1.49 -1.18 0.00 0.00 179.01 180.18 3mud h GLU 266 N -0.17 0.80 -0.10 1.92 4.81 -1.10 -1.48 114.58 119.26 3mud h GLU 266 Ca 0.01 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 3mud h GLU 266 Cb 0.23 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.44 3mud h GLU 266 CO 0.00 0.53 -0.54 -0.91 -0.73 0.00 0.00 179.01 177.35 3mud h ASN 267 N 0.82 0.64 -0.15 1.04 2.35 -1.19 -2.26 115.58 116.82 3mud h ASN 267 Ca 0.45 -0.65 0.03 0.00 -0.55 0.00 0.00 56.30 55.58 3mud h ASN 267 Cb 0.56 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 3mud h ASN 267 CO -0.21 1.19 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.64 3mud h LEU 268 N 0.14 -0.20 -1.46 1.61 3.38 -0.96 -0.08 115.31 117.74 3mud h LEU 268 Ca -0.04 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3mud h LEU 268 Cb 1.19 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.02 3mud h LEU 268 CO 0.11 -0.08 0.43 0.78 0.09 0.00 0.00 178.44 179.78 3mud h ASN 269 N -0.03 0.58 0.14 -0.43 2.35 -1.32 0.20 115.58 117.07 3mud h ASN 269 Ca 0.08 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 3mud h ASN 269 Cb 0.15 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3mud h ASN 269 CO -0.17 0.38 -0.79 -0.03 -1.65 0.00 0.00 177.43 175.17 3mud h MET 270 N 0.67 0.53 -0.47 0.81 4.05 -0.82 -1.02 114.93 118.67 3mud h MET 270 Ca 0.28 -0.46 -0.07 0.00 -0.28 0.00 0.00 59.70 59.18 3mud h MET 270 Cb 0.26 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 3mud h MET 270 CO -0.09 1.09 0.02 0.45 0.23 0.00 0.00 176.91 178.61 3mud h HIS 271 N 0.35 0.81 -0.45 1.39 3.86 -0.17 -1.78 115.15 119.17 3mud h HIS 271 Ca -0.05 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 3mud h HIS 271 Cb 1.39 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 3mud h HIS 271 CO 0.06 0.74 0.23 1.96 0.86 0.00 0.00 177.93 181.78 3mud h GLN 272 N 0.73 0.65 0.00 2.45 4.20 -0.43 -1.87 115.11 120.83 3mud h GLN 272 Ca 0.15 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3mud h GLN 272 Cb 0.41 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3mud h GLN 272 CO 0.02 0.55 -0.25 0.52 -0.67 0.00 0.00 178.83 178.99 3mud h MET 273 N 0.59 0.00 -0.26 1.46 2.86 -0.96 -1.88 114.93 116.74 3mud h MET 273 Ca 0.16 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.69 3mud h MET 273 Cb 0.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3mud h MET 273 CO -0.02 0.25 -0.26 -0.07 1.06 0.00 0.00 176.91 177.87 3mud h LEU 274 N 0.00 0.68 -0.14 1.22 3.38 -0.92 -0.95 115.31 118.59 3mud h LEU 274 Ca -0.00 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3mud h LEU 274 Cb 0.50 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3mud h LEU 274 CO 0.03 1.01 -0.03 0.44 0.09 0.00 0.00 178.44 179.99 3mud h ASP 275 N 0.35 -0.11 -0.58 -0.43 3.32 -1.07 -2.04 116.42 115.87 3mud h ASP 275 Ca 0.04 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.15 3mud h ASP 275 Cb 0.82 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.42 3mud h ASP 275 CO 0.06 -0.04 0.36 -0.61 -1.72 0.00 0.00 179.24 177.30 3mud h GLN 276 N 0.01 0.70 -0.85 3.56 5.75 -1.34 -1.85 115.11 121.10 3mud h GLN 276 Ca 0.07 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3mud h GLN 276 Cb 0.10 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.43 3mud h GLN 276 CO -0.13 0.47 0.54 1.15 -2.65 0.00 0.00 178.83 178.20 3mud h THR 277 N 0.73 1.09 -0.63 2.39 2.02 -1.01 -1.07 112.91 116.42 3mud h THR 277 Ca 0.22 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3mud h THR 277 Cb -0.02 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 3mud h THR 277 CO -0.08 0.18 0.26 0.25 0.37 0.00 0.00 175.52 176.50 3mud h LEU 278 N 1.01 0.87 -0.35 2.58 5.85 -0.89 0.05 115.31 124.43 3mud h LEU 278 Ca 0.36 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3mud h LEU 278 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3mud h LEU 278 CO -0.15 0.80 0.23 -0.07 -0.34 0.00 0.00 178.44 178.91 3mud h LEU 279 N 0.89 0.41 -1.30 2.25 -0.00 -0.83 -2.25 115.31 114.49 3mud h LEU 279 Ca 0.21 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 58.01 3mud h LEU 279 Cb 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.74 3mud h LEU 279 CO -0.02 0.30 -0.29 -0.33 -0.00 0.00 0.00 178.44 178.11 3mud h GLU 280 N 0.48 0.00 -0.01 1.13 5.08 -0.91 -2.37 114.58 117.98 3mud h GLU 280 Ca 0.13 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.37 3mud h GLU 280 Cb -0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3mud h GLU 280 CO -0.03 0.29 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.62 3mud h LEU 281 N 0.00 0.03 0.00 1.33 3.38 -0.69 -3.23 115.31 116.13 3mud h LEU 281 Ca -0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3mud h LEU 281 Cb 0.67 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3mud h LEU 281 CO 0.04 0.60 -0.74 0.78 0.09 0.00 0.00 178.44 179.21 3mud h ASN 282 N 0.02 0.00 -0.03 -0.43 2.35 -0.92 -3.51 115.58 113.06 3mud h ASN 282 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3mud h ASN 282 Cb 1.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3mud h ASN 282 CO 0.08 0.67 0.00 0.59 -1.65 0.00 0.00 177.43 177.11