#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1j s PHE 2 N 0.00 3.32 -0.89 1.61 5.36 -0.55 -4.21 117.98 122.61 3i1j s PHE 2 Ca 0.00 0.23 -0.17 0.00 -0.96 0.00 0.00 56.93 56.02 3i1j s PHE 2 Cb 0.00 -1.96 0.16 0.00 -0.34 0.00 0.00 43.02 40.88 3i1j s PHE 2 CO 0.00 0.40 1.00 0.34 -1.46 0.00 0.00 175.22 175.50 3i1j s ASP 3 N -0.35 6.67 -0.28 6.13 2.15 -1.26 -4.70 116.67 125.03 3i1j s ASP 3 Ca 0.09 -2.27 -0.16 0.00 0.43 0.00 0.00 52.55 50.64 3i1j s ASP 3 Cb -0.12 -2.33 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 3i1j s ASP 3 CO 0.02 -0.89 0.72 -0.47 -0.17 0.00 0.00 175.17 174.37 3i1j s TYR 4 N 1.80 -1.03 -0.13 -5.34 5.04 -1.26 -5.07 117.35 111.37 3i1j s TYR 4 Ca 0.27 2.05 0.01 0.00 -2.44 0.00 0.00 57.07 56.96 3i1j s TYR 4 Cb -0.07 0.61 -0.01 0.00 0.35 0.00 0.00 41.96 42.85 3i1j s TYR 4 CO -0.09 -0.51 -0.15 -1.54 -1.34 0.00 0.00 175.55 171.92 3i1j s SER 5 N 1.63 3.84 -0.25 4.32 1.04 -1.26 -4.70 113.70 118.31 3i1j s SER 5 Ca -0.10 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.86 3i1j s SER 5 Cb -0.05 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 3i1j s SER 5 CO -0.20 0.16 0.13 0.00 0.98 0.00 0.00 173.24 174.31 3i1j s ALA 6 N 0.40 3.41 0.50 5.32 0.00 -1.26 -5.08 121.76 125.05 3i1j s ALA 6 Ca -0.12 -1.02 -0.22 0.00 0.00 0.00 0.00 51.96 50.60 3i1j s ALA 6 Cb -0.16 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.64 3i1j s ALA 6 CO 0.06 -0.38 1.23 -1.58 0.00 0.00 0.00 175.76 175.09 3i1j s HIS 7 N 1.42 2.63 0.47 0.00 5.04 -1.26 -4.92 115.29 118.66 3i1j s HIS 7 Ca 0.06 1.48 0.37 0.00 -1.54 0.00 0.00 55.06 55.43 3i1j s HIS 7 Cb -0.15 -3.53 2.01 0.00 0.04 0.00 0.00 32.58 30.95 3i1j s HIS 7 CO 0.06 -2.05 2.13 -1.35 -2.34 0.00 0.00 174.74 171.19 3i1j h PRO 8 N 1.73 0.00 -0.23 2.88 0.11 -1.90 -0.50 132.00 134.09 3i1j h PRO 8 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i1j h PRO 8 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i1j h PRO 8 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3i1j n GLU 9 N -2.84 2.70 -0.32 1.05 1.02 -1.26 -3.92 120.64 117.06 3i1j n GLU 9 Ca -0.02 -2.49 0.11 0.00 -0.02 0.00 0.00 57.16 54.74 3i1j n GLU 9 Cb 0.11 -1.58 0.24 0.00 -0.02 0.00 0.00 31.44 30.20 3i1j n GLU 9 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3i1j h LEU 10 N 1.48 -0.48 -2.99 -4.62 5.85 -1.00 -1.77 115.31 111.77 3i1j h LEU 10 Ca 0.00 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.98 3i1j h LEU 10 Cb 1.12 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3i1j h LEU 10 CO 0.12 -0.30 0.00 0.18 -0.34 0.00 0.00 178.44 178.09 3i1j n LEU 11 N -5.46 4.52 -4.66 2.25 4.77 0.36 -4.67 117.00 114.10 3i1j n LEU 11 Ca 0.20 -2.28 -0.44 0.00 -0.03 0.00 0.00 56.01 53.46 3i1j n LEU 11 Cb 0.66 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3i1j n LEU 11 CO -0.04 0.89 0.89 1.17 -1.33 0.00 0.00 177.39 178.97 3i1j n LYS 12 N 1.37 1.92 -0.54 3.23 4.81 -0.67 -1.88 118.16 126.40 3i1j n LYS 12 Ca 0.26 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.38 3i1j n LYS 12 Cb 0.80 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3i1j n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i1j n GLY 13 N 1.48 0.77 3.50 3.14 0.00 -1.26 -4.99 105.19 107.83 3i1j n GLY 13 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 3i1j n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1j s ARG 14 N -0.46 2.51 -0.25 1.61 0.52 -0.79 -5.03 118.95 117.06 3i1j s ARG 14 Ca 0.00 -0.70 -0.07 0.00 -0.52 0.00 0.00 55.73 54.45 3i1j s ARG 14 Cb 0.00 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 3i1j s ARG 14 CO 0.00 0.62 0.05 0.08 0.02 0.00 0.00 175.30 176.07 3i1j s VAL 15 N -0.77 4.07 -0.10 3.52 1.01 -1.26 -0.88 120.40 125.98 3i1j s VAL 15 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.79 3i1j s VAL 15 Cb -0.11 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.35 3i1j s VAL 15 CO 0.01 0.31 -0.16 -0.63 0.00 0.00 0.00 175.10 174.63 3i1j s ILE 16 N 1.57 1.52 -0.20 2.22 1.01 0.11 -0.47 121.20 126.97 3i1j s ILE 16 Ca 0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3i1j s ILE 16 Cb -0.15 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3i1j s ILE 16 CO 0.02 0.44 0.15 -0.22 0.00 0.00 0.00 174.94 175.34 3i1j s LEU 17 N 0.86 4.20 -0.16 2.97 0.20 -0.32 -0.63 118.68 125.80 3i1j s LEU 17 Ca -0.09 0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.98 3i1j s LEU 17 Cb -0.15 -2.13 0.00 0.00 -0.43 0.00 0.00 46.19 43.48 3i1j s LEU 17 CO 0.00 0.15 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.36 3i1j s VAL 18 N 0.46 2.51 0.27 1.68 1.01 -0.31 -0.82 120.40 125.20 3i1j s VAL 18 Ca 0.09 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3i1j s VAL 18 Cb -0.12 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3i1j s VAL 18 CO -0.01 0.52 0.49 0.42 0.00 0.00 0.00 175.10 176.52 3i1j s THR 19 N 0.93 5.11 -1.39 3.92 -4.23 -0.72 -1.61 115.64 117.65 3i1j s THR 19 Ca -0.03 -0.20 -0.10 0.00 -1.18 0.00 0.00 61.69 60.18 3i1j s THR 19 Cb -0.15 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 69.96 3i1j s THR 19 CO -0.02 -0.31 1.16 0.61 -0.54 0.00 0.00 174.62 175.51 3i1j n GLY 20 N -0.99 -0.54 0.00 3.99 0.00 -0.87 -3.42 105.19 103.36 3i1j n GLY 20 Ca -0.03 0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3i1j n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j n ALA 21 N -4.96 2.15 0.11 4.61 0.00 -0.74 -3.92 120.51 117.76 3i1j n ALA 21 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 3i1j n ALA 21 Cb 0.56 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.71 3i1j n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1j h ALA 22 N 2.97 0.79 -2.93 0.00 0.00 -1.82 -3.08 119.26 115.19 3i1j h ALA 22 Ca 0.00 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 3i1j h ALA 22 Cb 0.32 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3i1j h ALA 22 CO 0.00 0.86 -0.01 -0.98 0.00 0.00 0.00 179.25 179.12 3i1j s ARG 23 N -3.44 1.93 5.69 0.00 1.70 -1.26 -4.72 118.95 118.85 3i1j s ARG 23 Ca -0.02 -1.51 0.00 0.00 -0.47 0.00 0.00 55.73 53.74 3i1j s ARG 23 Cb 0.12 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 35.01 3i1j s ARG 23 CO 0.79 -0.84 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 3i1j n GLY 24 N -0.51 2.89 0.32 3.88 0.00 -1.26 -2.15 105.19 108.35 3i1j n GLY 24 Ca -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 3i1j n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i1j h ILE 25 N 0.00 1.22 -0.28 -0.61 2.04 -1.93 -2.09 117.51 115.86 3i1j h ILE 25 Ca 0.00 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3i1j h ILE 25 Cb 0.00 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.12 3i1j h ILE 25 CO 0.00 0.22 0.05 1.23 0.00 0.00 0.00 178.15 179.66 3i1j h GLY 26 N 1.10 0.32 0.99 5.37 0.00 -1.65 0.44 103.07 109.63 3i1j h GLY 26 Ca 0.29 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 3i1j h GLY 26 CO -0.06 -0.01 0.27 0.00 0.00 0.00 0.00 176.54 176.74 3i1j h ALA 27 N 1.21 0.73 -0.59 3.60 0.00 -1.22 -0.80 119.26 122.19 3i1j h ALA 27 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i1j h ALA 27 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3i1j h ALA 27 CO -0.17 0.29 0.38 0.00 0.00 0.00 0.00 179.25 179.75 3i1j h ALA 28 N 1.11 0.75 -0.24 0.00 0.00 -1.15 -0.25 119.26 119.48 3i1j h ALA 28 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3i1j h ALA 28 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i1j h ALA 28 CO -0.02 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.40 3i1j h ALA 29 N 1.20 0.33 -0.25 0.00 0.00 -0.73 0.78 119.26 120.59 3i1j h ALA 29 Ca 0.21 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i1j h ALA 29 Cb -0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3i1j h ALA 29 CO -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 3i1j h ALA 30 N 0.78 0.19 -0.60 0.00 0.00 -1.03 0.22 119.26 118.82 3i1j h ALA 30 Ca 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i1j h ALA 30 Cb 0.48 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3i1j h ALA 30 CO 0.02 -0.45 0.27 0.00 0.00 0.00 0.00 179.25 179.10 3i1j h ARG 31 N 0.03 0.88 -0.53 0.00 3.08 -0.94 -1.71 114.38 115.19 3i1j h ARG 31 Ca 0.12 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 3i1j h ARG 31 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3i1j h ARG 31 CO -0.24 0.72 0.03 0.00 -1.07 0.00 0.00 179.97 179.42 3i1j h ALA 32 N 1.11 0.71 -0.32 0.04 0.00 -0.41 -1.29 119.26 119.10 3i1j h ALA 32 Ca 0.21 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3i1j h ALA 32 Cb 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i1j h ALA 32 CO -0.02 0.50 0.09 1.88 0.00 0.00 0.00 179.25 181.70 3i1j h TYR 33 N 0.79 0.54 -0.93 0.00 0.05 -0.45 -1.42 116.97 115.55 3i1j h TYR 33 Ca 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.88 3i1j h TYR 33 Cb 0.49 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 3i1j h TYR 33 CO 0.04 0.55 0.59 0.00 -1.05 0.00 0.00 178.16 178.29 3i1j h ALA 34 N 0.93 1.18 0.00 3.88 0.00 -1.23 -1.41 119.26 122.61 3i1j h ALA 34 Ca 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i1j h ALA 34 Cb 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i1j h ALA 34 CO -0.00 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 3i1j h ALA 35 N 1.32 1.01 -0.56 0.00 0.00 -0.84 -1.79 119.26 118.40 3i1j h ALA 35 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3i1j h ALA 35 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i1j h ALA 35 CO -0.07 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.91 3i1j n HIS 36 N -3.10 1.27 0.00 0.00 -0.00 -0.57 -4.82 115.22 108.00 3i1j n HIS 36 Ca -0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 57.72 57.09 3i1j n HIS 36 Cb 0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.03 3i1j n HIS 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i1j n GLY 37 N 0.85 0.60 3.82 -1.41 0.00 -0.67 -0.49 105.19 107.89 3i1j n GLY 37 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3i1j n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j s ALA 38 N -2.00 3.00 -0.22 4.61 0.00 -0.60 -4.11 121.76 122.44 3i1j s ALA 38 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.10 3i1j s ALA 38 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 3i1j s ALA 38 CO 0.00 -0.08 0.82 -1.12 0.00 0.00 0.00 175.76 175.37 3i1j s SER 39 N -2.38 6.86 -0.01 0.00 0.01 -0.06 -4.28 113.70 113.84 3i1j s SER 39 Ca 0.62 1.07 -0.01 0.00 1.31 0.00 0.00 55.95 58.94 3i1j s SER 39 Cb -0.11 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3i1j s SER 39 CO 0.20 -0.46 0.09 0.68 0.41 0.00 0.00 173.24 174.15 3i1j s VAL 40 N 2.57 4.78 -0.21 3.43 -7.23 -1.26 -0.71 120.40 121.77 3i1j s VAL 40 Ca 0.36 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 60.12 3i1j s VAL 40 Cb -0.16 -3.18 -0.00 0.00 0.56 0.00 0.00 36.38 33.60 3i1j s VAL 40 CO 0.09 0.36 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.47 3i1j s VAL 41 N -1.19 3.14 -0.25 1.32 1.01 0.20 -2.15 120.40 122.48 3i1j s VAL 41 Ca 0.23 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3i1j s VAL 41 Cb -0.12 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 3i1j s VAL 41 CO 0.14 0.45 0.21 -0.76 0.00 0.00 0.00 175.10 175.14 3i1j s LEU 42 N 1.35 4.08 -0.11 3.92 1.43 0.14 -1.16 118.68 128.33 3i1j s LEU 42 Ca 0.04 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3i1j s LEU 42 Cb -0.14 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 3i1j s LEU 42 CO -0.04 -0.01 -0.14 -0.22 0.23 0.00 0.00 176.35 176.17 3i1j s LEU 43 N 1.42 2.66 0.00 1.79 0.20 -0.63 -0.16 118.68 123.96 3i1j s LEU 43 Ca 0.09 -0.32 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 3i1j s LEU 43 Cb -0.15 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 3i1j s LEU 43 CO 0.08 0.21 0.07 0.61 -0.29 0.00 0.00 176.35 177.02 3i1j n GLY 44 N 3.24 1.58 0.13 7.98 0.00 -0.89 -1.79 105.19 115.45 3i1j n GLY 44 Ca -0.18 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 3i1j n GLY 44 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1j h ARG 45 N 0.00 0.43 -4.32 1.61 9.65 -1.87 -0.91 114.38 118.98 3i1j h ARG 45 Ca -0.02 -0.74 -0.17 0.00 -1.10 0.00 0.00 59.98 57.94 3i1j h ARG 45 Cb 0.09 0.28 -0.17 0.00 -1.39 0.00 0.00 29.97 28.78 3i1j h ARG 45 CO 0.03 1.36 -0.69 0.95 2.80 0.00 0.00 179.97 184.41 3i1j s THR 46 N -2.52 0.35 0.18 0.20 -4.23 -1.26 -4.07 115.64 104.29 3i1j s THR 46 Ca -0.11 -1.56 -0.12 0.00 -1.18 0.00 0.00 61.69 58.71 3i1j s THR 46 Cb 0.03 -1.18 0.10 0.00 1.34 0.00 0.00 72.50 72.78 3i1j s THR 46 CO 0.90 -0.79 1.83 -0.33 -0.54 0.00 0.00 174.62 175.68 3i1j h GLU 47 N 3.59 0.84 -0.30 3.99 5.08 -1.96 -2.80 114.58 123.01 3i1j h GLU 47 Ca -0.34 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 3i1j h GLU 47 Cb 1.17 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3i1j h GLU 47 CO 0.57 0.59 0.09 0.00 -1.00 0.00 0.00 179.01 179.27 3i1j h ALA 48 N 1.19 1.59 0.00 3.43 0.00 -2.01 -1.80 119.26 121.66 3i1j h ALA 48 Ca 0.22 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3i1j h ALA 48 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i1j h ALA 48 CO -0.04 0.32 -0.34 0.66 0.00 0.00 0.00 179.25 179.84 3i1j h SER 49 N 0.43 0.00 0.19 0.00 4.64 -1.92 -3.08 113.55 113.81 3i1j h SER 49 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3i1j h SER 49 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 3i1j h SER 49 CO -0.01 0.34 -0.57 0.18 -0.87 0.00 0.00 176.83 175.90 3i1j n LEU 50 N -3.61 1.08 -0.20 5.97 4.77 -0.72 -4.51 117.00 119.78 3i1j n LEU 50 Ca -0.01 -0.36 -0.06 0.00 -0.03 0.00 0.00 56.01 55.55 3i1j n LEU 50 Cb 0.46 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3i1j n LEU 50 CO 0.36 0.23 1.09 0.00 -1.33 0.00 0.00 177.39 177.74 3i1j h ALA 51 N 3.35 0.74 0.31 -1.18 0.00 -1.35 -1.37 119.26 119.76 3i1j h ALA 51 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3i1j h ALA 51 Cb 0.56 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i1j h ALA 51 CO 0.00 0.22 -0.15 1.49 0.00 0.00 0.00 179.25 180.81 3i1j h GLU 52 N 0.79 -0.40 -0.51 0.00 4.81 -1.79 0.10 114.58 117.59 3i1j h GLU 52 Ca 0.21 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3i1j h GLU 52 Cb -0.03 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3i1j h GLU 52 CO -0.04 -0.18 0.29 -0.24 -0.73 0.00 0.00 179.01 178.11 3i1j h VAL 53 N -0.55 1.17 -0.54 0.32 3.04 -1.82 0.08 116.25 117.95 3i1j h VAL 53 Ca -0.04 -0.41 0.05 0.00 -1.01 0.00 0.00 66.70 65.29 3i1j h VAL 53 Cb 0.40 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 30.15 3i1j h VAL 53 CO 0.07 0.17 0.27 -1.28 -1.01 0.00 0.00 177.57 175.79 3i1j h SER 54 N 0.68 0.38 -0.38 3.17 0.87 -1.17 -1.48 113.55 115.61 3i1j h SER 54 Ca 0.18 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3i1j h SER 54 Cb 0.03 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3i1j h SER 54 CO -0.03 0.26 0.18 0.44 -0.53 0.00 0.00 176.83 177.15 3i1j h ASP 55 N 0.51 0.49 -0.13 6.23 3.32 -0.44 -0.58 116.42 125.82 3i1j h ASP 55 Ca 0.24 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.18 3i1j h ASP 55 Cb 0.16 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3i1j h ASP 55 CO -0.17 0.48 0.03 1.56 -1.72 0.00 0.00 179.24 179.42 3i1j h GLN 56 N 0.47 0.09 -0.17 3.56 4.20 -0.68 -1.14 115.11 121.45 3i1j h GLN 56 Ca 0.13 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.85 3i1j h GLN 56 Cb 0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3i1j h GLN 56 CO -0.02 0.06 0.08 0.82 -0.67 0.00 0.00 178.83 179.10 3i1j h ILE 57 N 0.09 0.99 -0.87 2.54 2.04 -1.12 -1.76 117.51 119.43 3i1j h ILE 57 Ca 0.06 -0.06 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3i1j h ILE 57 Cb 0.04 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3i1j h ILE 57 CO -0.07 0.03 0.52 0.11 0.00 0.00 0.00 178.15 178.75 3i1j h LYS 58 N 0.17 0.89 0.00 2.37 1.57 -0.96 -2.21 116.57 118.40 3i1j h LYS 58 Ca 0.07 -0.05 -0.22 0.00 -1.87 0.00 0.00 60.65 58.58 3i1j h LYS 58 Cb 0.02 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 3i1j h LYS 58 CO -0.05 0.59 -0.93 0.66 -0.57 0.00 0.00 179.45 179.15 3i1j h SER 59 N 0.91 0.47 0.47 0.86 4.64 -0.98 -1.61 113.55 118.31 3i1j h SER 59 Ca 0.40 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i1j h SER 59 Cb 0.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3i1j h SER 59 CO -0.21 1.18 0.00 0.00 -0.87 0.00 0.00 176.83 176.92 3i1j n ALA 60 N -2.52 1.46 0.00 5.18 0.00 -0.68 -4.87 120.51 119.08 3i1j n ALA 60 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3i1j n ALA 60 Cb 0.83 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.95 3i1j n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1j n GLY 61 N -0.42 1.42 0.17 0.00 0.00 -0.61 -5.08 105.19 100.67 3i1j n GLY 61 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.06 3i1j n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i1j n GLN 62 N -0.40 1.92 0.00 1.61 6.02 -0.84 -5.03 117.38 120.66 3i1j n GLN 62 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.44 3i1j n GLN 62 Cb 0.00 -1.00 0.00 0.00 1.02 0.00 0.00 30.24 30.26 3i1j n GLN 62 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3i1j n PRO 63 N -0.21 0.00 -2.17 -1.09 -0.04 -1.26 -4.90 135.00 125.34 3i1j n PRO 63 Ca 0.03 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.07 3i1j n PRO 63 Cb 0.14 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.57 3i1j n PRO 63 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3i1j s GLN 64 N 3.29 3.18 0.73 0.54 0.74 -1.26 -3.76 119.66 123.12 3i1j s GLN 64 Ca 0.00 0.89 -0.11 0.00 0.05 0.00 0.00 55.36 56.19 3i1j s GLN 64 Cb 0.00 -4.20 0.03 0.00 1.10 0.00 0.00 33.01 29.94 3i1j s GLN 64 CO 0.00 -2.05 1.07 -1.25 -0.55 0.00 0.00 175.29 172.51 3i1j s PRO 65 N 5.86 2.66 -0.14 1.67 0.05 -1.26 -4.99 135.00 138.84 3i1j s PRO 65 Ca 0.66 1.00 -0.28 0.00 0.05 0.00 0.00 61.00 62.43 3i1j s PRO 65 Cb -0.15 -1.95 -0.01 0.00 0.05 0.00 0.00 34.50 32.43 3i1j s PRO 65 CO 0.28 -1.31 0.96 -1.17 0.05 0.00 0.00 177.00 175.81 3i1j s LEU 66 N -5.68 4.20 -0.21 -3.56 2.96 -0.91 -4.92 118.68 110.55 3i1j s LEU 66 Ca 0.59 1.41 -0.12 0.00 -0.22 0.00 0.00 54.13 55.79 3i1j s LEU 66 Cb -0.15 -3.46 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 3i1j s LEU 66 CO 0.55 -0.47 0.22 -0.63 -1.32 0.00 0.00 176.35 174.70 3i1j s ILE 67 N 2.23 5.33 -0.10 6.68 1.01 -1.26 0.27 121.20 135.36 3i1j s ILE 67 Ca 0.45 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.44 3i1j s ILE 67 Cb -0.17 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.76 3i1j s ILE 67 CO 0.14 0.36 -0.11 -0.63 0.00 0.00 0.00 174.94 174.70 3i1j s ILE 68 N 0.86 1.18 0.03 2.92 1.01 0.78 -4.95 121.20 123.02 3i1j s ILE 68 Ca 0.11 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.08 3i1j s ILE 68 Cb -0.13 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 3i1j s ILE 68 CO 0.03 0.38 0.75 0.00 0.00 0.00 0.00 174.94 176.11 3i1j s ALA 69 N 1.27 3.37 -0.24 9.38 0.00 -1.26 -2.10 121.76 132.19 3i1j s ALA 69 Ca -0.03 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 51.95 3i1j s ALA 69 Cb -0.14 -2.97 0.06 0.00 0.00 0.00 0.00 23.12 20.07 3i1j s ALA 69 CO -0.04 0.06 0.66 -1.17 0.00 0.00 0.00 175.76 175.27 3i1j s LEU 70 N 0.01 -0.54 -0.46 0.00 0.20 -0.35 -4.95 118.68 112.59 3i1j s LEU 70 Ca 0.38 1.32 -0.12 0.00 0.69 0.00 0.00 54.13 56.39 3i1j s LEU 70 Cb -0.20 2.29 0.09 0.00 -0.43 0.00 0.00 46.19 47.94 3i1j s LEU 70 CO 0.22 -0.24 0.36 0.21 -0.29 0.00 0.00 176.35 176.61 3i1j s ASN 71 N 0.30 5.91 0.52 3.68 3.84 -1.26 -4.13 114.94 123.80 3i1j s ASN 71 Ca -0.00 -1.55 0.28 0.00 0.21 0.00 0.00 52.86 51.80 3i1j s ASN 71 Cb -0.04 -2.09 1.45 0.00 -0.55 0.00 0.00 41.25 40.01 3i1j s ASN 71 CO 0.01 -0.65 2.06 -0.07 -2.79 0.00 0.00 177.10 175.66 3i1j h LEU 72 N 8.61 0.00 -0.58 3.21 3.38 -1.96 0.16 115.31 128.13 3i1j h LEU 72 Ca -0.26 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3i1j h LEU 72 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3i1j h LEU 72 CO 0.86 0.11 -0.36 1.05 0.09 0.00 0.00 178.44 180.20 3i1j h GLU 73 N 0.00 0.00 0.00 1.13 9.09 -1.94 -3.38 114.58 119.48 3i1j h GLU 73 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i1j h GLU 73 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.46 3i1j h GLU 73 CO 0.01 0.36 0.00 0.27 0.05 0.00 0.00 179.01 179.70 3i1j n ASN 74 N -3.34 0.42 -4.73 3.06 0.23 -0.98 -4.97 115.26 104.95 3i1j n ASN 74 Ca 0.01 -1.03 -0.42 0.00 -0.53 0.00 0.00 54.58 52.60 3i1j n ASN 74 Cb 0.57 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.26 3i1j n ASN 74 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1j n ALA 75 N -0.02 1.84 -4.26 -2.53 0.00 0.53 -5.01 120.51 111.06 3i1j n ALA 75 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.52 3i1j n ALA 75 Cb 0.17 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 3i1j n ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1j n THR 76 N 0.89 0.00 -0.04 0.00 -2.24 -1.26 -4.98 114.28 106.65 3i1j n THR 76 Ca 0.05 -2.14 0.22 0.00 -2.27 0.00 0.00 64.05 59.92 3i1j n THR 76 Cb 0.36 0.18 0.70 0.00 -2.10 0.00 0.00 70.33 69.48 3i1j n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i1j h ALA 77 N 0.95 2.57 0.11 6.98 0.00 -1.99 -1.93 119.26 125.95 3i1j h ALA 77 Ca -0.36 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i1j h ALA 77 Cb 1.19 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3i1j h ALA 77 CO 0.58 -0.75 -0.07 0.37 0.00 0.00 0.00 179.25 179.38 3i1j h GLN 78 N 0.00 -0.17 -0.43 0.00 4.15 -1.99 0.16 115.11 116.83 3i1j h GLN 78 Ca 0.29 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.76 3i1j h GLN 78 Cb 1.17 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 3i1j h GLN 78 CO -0.00 -0.11 0.20 1.96 -1.93 0.00 0.00 178.83 178.94 3i1j h GLN 79 N -0.18 0.38 -0.54 1.69 7.50 -1.75 -0.35 115.11 121.87 3i1j h GLN 79 Ca -0.01 -0.02 -0.10 0.00 0.50 0.00 0.00 58.65 59.02 3i1j h GLN 79 Cb 0.15 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.58 3i1j h GLN 79 CO 0.01 0.25 -0.06 1.88 -1.50 0.00 0.00 178.83 179.41 3i1j h TYR 80 N 0.39 1.09 -0.53 2.96 -1.99 -1.27 -1.06 116.97 116.55 3i1j h TYR 80 Ca 0.19 -0.21 0.01 0.00 2.00 0.00 0.00 58.73 60.72 3i1j h TYR 80 Cb 0.12 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 3i1j h TYR 80 CO -0.12 1.01 0.34 0.00 -0.00 0.00 0.00 178.16 179.39 3i1j h ARG 81 N 0.86 0.66 -0.52 4.88 3.08 -0.54 -2.10 114.38 120.70 3i1j h ARG 81 Ca 0.14 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.05 3i1j h ARG 81 Cb 0.61 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3i1j h ARG 81 CO 0.04 0.44 -0.08 1.49 -1.07 0.00 0.00 179.97 180.78 3i1j h GLU 82 N 0.68 0.98 -0.16 0.04 4.81 -0.82 -0.94 114.58 119.17 3i1j h GLU 82 Ca 0.20 -0.36 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3i1j h GLU 82 Cb -0.03 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3i1j h GLU 82 CO -0.07 1.03 -0.17 1.25 -0.73 0.00 0.00 179.01 180.32 3i1j h LEU 83 N 0.85 -0.54 -0.73 1.64 6.46 -1.10 -1.13 115.31 120.76 3i1j h LEU 83 Ca 0.14 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 3i1j h LEU 83 Cb 0.64 0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 40.77 3i1j h LEU 83 CO 0.04 -0.22 0.41 0.00 -0.62 0.00 0.00 178.44 178.05 3i1j h ALA 84 N 0.86 0.99 -0.84 1.25 0.00 -1.15 -1.57 119.26 118.80 3i1j h ALA 84 Ca 0.11 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i1j h ALA 84 Cb 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3i1j h ALA 84 CO -0.28 0.08 0.50 0.00 0.00 0.00 0.00 179.25 179.54 3i1j h ALA 85 N 1.38 1.08 -0.35 0.00 0.00 -0.77 0.12 119.26 120.73 3i1j h ALA 85 Ca 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3i1j h ALA 85 Cb 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3i1j h ALA 85 CO -0.20 0.55 0.12 0.00 0.00 0.00 0.00 179.25 179.72 3i1j h ARG 86 N 1.16 0.53 -0.33 0.00 3.08 -0.66 0.12 114.38 118.29 3i1j h ARG 86 Ca 0.30 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.25 3i1j h ARG 86 Cb -0.02 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3i1j h ARG 86 CO -0.05 0.55 0.20 0.28 -1.07 0.00 0.00 179.97 179.87 3i1j h VAL 87 N 0.41 1.05 -0.74 2.04 2.07 -1.05 -2.20 116.25 117.82 3i1j h VAL 87 Ca 0.11 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i1j h VAL 87 Cb 0.23 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3i1j h VAL 87 CO -0.01 0.07 0.46 -0.08 0.02 0.00 0.00 177.57 178.04 3i1j h GLU 88 N 0.41 1.00 -0.69 1.57 4.81 -0.51 0.41 114.58 121.58 3i1j h GLU 88 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3i1j h GLU 88 Cb -0.01 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3i1j h GLU 88 CO -0.05 0.69 0.44 0.45 -0.73 0.00 0.00 179.01 179.81 3i1j h HIS 89 N 1.01 0.89 0.23 0.92 3.86 -0.53 -0.17 115.15 121.36 3i1j h HIS 89 Ca 0.27 0.01 -0.33 0.00 -1.16 0.00 0.00 60.37 59.16 3i1j h HIS 89 Cb -0.06 -0.30 0.03 0.00 1.06 0.00 0.00 27.41 28.14 3i1j h HIS 89 CO -0.01 0.58 -1.46 1.49 0.86 0.00 0.00 177.93 179.39 3i1j h GLU 90 N 0.94 0.49 0.00 2.45 4.57 -0.96 -3.41 114.58 118.65 3i1j h GLU 90 Ca 0.25 -0.83 0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3i1j h GLU 90 Cb -0.07 0.31 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 3i1j h GLU 90 CO -0.05 1.40 -0.96 1.19 -1.18 0.00 0.00 179.01 179.41 3i1j n PHE 91 N -3.67 0.00 -0.57 0.92 3.01 0.09 -5.02 117.46 112.22 3i1j n PHE 91 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3i1j n PHE 91 Cb 1.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.56 3i1j n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i1j n GLY 92 N 2.79 1.55 3.84 1.37 0.00 -0.08 -4.92 105.19 109.74 3i1j n GLY 92 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3i1j n GLY 92 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i1j s ARG 93 N -0.12 1.44 -0.02 1.61 1.70 -1.26 -4.91 118.95 117.39 3i1j s ARG 93 Ca 0.00 -0.89 -0.00 0.00 -0.47 0.00 0.00 55.73 54.36 3i1j s ARG 93 Cb 0.00 0.42 0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3i1j s ARG 93 CO 0.00 -0.67 0.04 -1.17 -1.08 0.00 0.00 175.30 172.42 3i1j s LEU 94 N -3.22 1.17 0.03 -1.89 2.96 -0.83 -4.80 118.68 112.10 3i1j s LEU 94 Ca 0.18 0.06 0.22 0.00 -0.22 0.00 0.00 54.13 54.37 3i1j s LEU 94 Cb -0.03 -0.01 -0.23 0.00 0.50 0.00 0.00 46.19 46.42 3i1j s LEU 94 CO 0.05 -0.11 0.64 0.47 -1.32 0.00 0.00 176.35 176.08 3i1j n ASP 95 N 4.03 0.27 -3.73 3.68 8.00 0.38 -3.85 116.55 125.33 3i1j n ASP 95 Ca -0.26 0.11 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 3i1j n ASP 95 Cb 0.52 1.45 -0.09 0.00 -0.02 0.00 0.00 41.12 42.98 3i1j n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3i1j s GLY 96 N -4.52 -0.27 -0.13 0.44 0.00 -0.81 -0.86 107.32 101.16 3i1j s GLY 96 Ca -0.06 0.86 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 3i1j s GLY 96 CO 0.87 0.67 0.08 -2.27 0.00 0.00 0.00 173.10 172.44 3i1j s LEU 97 N -0.44 0.35 -0.46 0.66 2.96 0.11 -1.17 118.68 120.68 3i1j s LEU 97 Ca -0.06 -0.42 -0.15 0.00 -0.22 0.00 0.00 54.13 53.29 3i1j s LEU 97 Cb -0.03 -0.24 0.07 0.00 0.50 0.00 0.00 46.19 46.48 3i1j s LEU 97 CO 0.03 -0.31 0.37 -0.22 -1.32 0.00 0.00 176.35 174.89 3i1j s LEU 98 N 2.12 5.52 -0.79 -0.68 2.96 0.00 -0.67 118.68 127.14 3i1j s LEU 98 Ca 0.03 -1.29 -0.24 0.00 -0.22 0.00 0.00 54.13 52.41 3i1j s LEU 98 Cb -0.15 -2.16 0.06 0.00 0.50 0.00 0.00 46.19 44.44 3i1j s LEU 98 CO -0.07 -0.61 1.18 -1.00 -1.32 0.00 0.00 176.35 174.53 3i1j s HIS 99 N 1.63 2.57 -0.09 5.38 3.76 0.05 -1.75 115.29 126.83 3i1j s HIS 99 Ca 0.04 -0.54 0.10 0.00 -0.15 0.00 0.00 55.06 54.51 3i1j s HIS 99 Cb -0.24 -4.48 -0.15 0.00 1.11 0.00 0.00 32.58 28.83 3i1j s HIS 99 CO 0.07 -1.83 0.09 -1.71 -0.85 0.00 0.00 174.74 170.50 3i1j n ASN 100 N 8.35 2.26 -4.77 1.40 5.15 -1.24 -2.12 115.26 124.29 3i1j n ASN 100 Ca 0.09 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.66 3i1j n ASN 100 Cb 0.48 0.94 -0.01 0.00 -0.53 0.00 0.00 39.78 40.66 3i1j n ASN 100 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1j s ALA 101 N -2.39 3.59 0.10 5.20 0.00 -1.22 -4.85 121.76 122.20 3i1j s ALA 101 Ca -0.05 1.46 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 3i1j s ALA 101 Cb 0.04 -3.57 0.08 0.00 0.00 0.00 0.00 23.12 19.66 3i1j s ALA 101 CO 0.46 -0.89 0.95 -1.12 0.00 0.00 0.00 175.76 175.17 3i1j s SER 102 N -0.04 -0.23 0.14 0.00 0.01 -1.26 -4.89 113.70 107.44 3i1j s SER 102 Ca 0.55 -0.28 0.06 0.00 1.31 0.00 0.00 55.95 57.58 3i1j s SER 102 Cb -0.44 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.20 3i1j s SER 102 CO 0.55 -0.80 -0.14 0.27 0.41 0.00 0.00 173.24 173.53 3i1j s ILE 103 N -3.21 1.38 -0.14 1.44 -4.36 -1.26 -5.06 121.20 109.99 3i1j s ILE 103 Ca 0.10 -1.86 -0.14 0.00 -0.26 0.00 0.00 60.65 58.49 3i1j s ILE 103 Cb -0.01 -1.68 -0.25 0.00 1.25 0.00 0.00 42.46 41.77 3i1j s ILE 103 CO -0.01 -0.50 0.39 0.40 0.24 0.00 0.00 174.94 175.46 3i1j h ILE 104 N 3.23 0.83 -0.32 8.37 1.08 -1.99 -3.46 117.51 125.25 3i1j h ILE 104 Ca -0.39 -2.32 0.03 0.00 -0.39 0.00 0.00 64.86 61.79 3i1j h ILE 104 Cb 1.20 2.50 -0.01 0.00 -3.07 0.00 0.00 36.82 37.44 3i1j h ILE 104 CO 0.55 0.68 -0.04 0.61 -0.69 0.00 0.00 178.15 179.26 3i1j n GLY 105 N 1.76 -2.13 3.76 5.37 0.00 -1.26 -3.90 105.19 108.78 3i1j n GLY 105 Ca -0.30 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3i1j n GLY 105 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1j s PRO 106 N -0.71 4.16 -1.11 1.61 0.02 -1.26 -4.95 135.00 132.76 3i1j s PRO 106 Ca 0.00 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 3i1j s PRO 106 Cb 0.00 -3.02 0.29 0.00 0.02 0.00 0.00 34.50 31.78 3i1j s PRO 106 CO 0.00 -0.54 1.65 0.54 -0.33 0.00 0.00 177.00 178.33 3i1j n ARG 107 N 1.55 4.60 -3.91 5.54 1.74 -1.26 -4.26 116.66 120.66 3i1j n ARG 107 Ca 0.05 -4.40 -0.21 0.00 -0.77 0.00 0.00 57.85 52.51 3i1j n ARG 107 Cb 0.39 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.23 3i1j n ARG 107 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i1j s THR 108 N -2.66 3.75 0.54 0.55 -4.23 -1.26 -4.88 115.64 107.44 3i1j s THR 108 Ca 0.35 -1.40 -0.20 0.00 -1.18 0.00 0.00 61.69 59.26 3i1j s THR 108 Cb 0.09 -3.23 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 3i1j s THR 108 CO 0.04 -0.22 0.87 -2.65 -0.54 0.00 0.00 174.62 172.11 3i1j n PRO 109 N -1.31 0.94 -0.24 3.99 -0.02 -1.26 -4.09 135.00 133.01 3i1j n PRO 109 Ca -0.03 0.35 0.14 0.00 -2.02 0.00 0.00 63.50 61.94 3i1j n PRO 109 Cb 0.59 -2.00 0.43 0.00 -0.02 0.00 0.00 33.50 32.50 3i1j n PRO 109 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i1j h LEU 110 N 0.75 0.55 -1.17 2.45 3.38 -1.95 -1.41 115.31 117.91 3i1j h LEU 110 Ca -0.46 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3i1j h LEU 110 Cb 1.37 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3i1j h LEU 110 CO 0.52 0.27 0.58 -0.08 0.09 0.00 0.00 178.44 179.81 3i1j h GLU 111 N 0.57 0.94 -0.03 1.13 4.81 -2.04 -2.48 114.58 117.48 3i1j h GLU 111 Ca 0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3i1j h GLU 111 Cb 0.84 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3i1j h GLU 111 CO -0.18 0.62 -0.01 1.04 -0.73 0.00 0.00 179.01 179.75 3i1j n GLN 112 N -4.50 2.20 -2.24 1.92 3.00 -0.58 -4.94 117.38 112.24 3i1j n GLN 112 Ca 0.14 -1.75 -0.43 0.00 -0.01 0.00 0.00 57.00 54.95 3i1j n GLN 112 Cb 0.24 -1.46 -0.02 0.00 0.00 0.00 0.00 30.24 28.99 3i1j n GLN 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3i1j s LEU 113 N -2.01 3.77 0.49 1.08 2.96 -0.94 -4.97 118.68 119.06 3i1j s LEU 113 Ca 0.30 1.28 -0.24 0.00 -0.22 0.00 0.00 54.13 55.24 3i1j s LEU 113 Cb 0.20 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.29 3i1j s LEU 113 CO 0.31 -1.30 1.40 -2.65 -1.32 0.00 0.00 176.35 172.79 3i1j n PRO 114 N 7.75 2.04 -0.20 0.98 -0.02 -1.26 -4.83 135.00 139.46 3i1j n PRO 114 Ca 0.18 0.73 -0.03 0.00 -2.02 0.00 0.00 63.50 62.36 3i1j n PRO 114 Cb 0.46 -2.61 0.08 0.00 -0.02 0.00 0.00 33.50 31.41 3i1j n PRO 114 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3i1j h ASP 115 N 1.97 0.47 0.42 2.55 3.32 -1.97 -1.61 116.42 121.56 3i1j h ASP 115 Ca -0.51 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3i1j h ASP 115 Cb 1.28 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3i1j h ASP 115 CO 0.59 0.31 -0.53 -0.33 -1.72 0.00 0.00 179.24 177.57 3i1j h GLU 116 N 0.61 0.11 -0.09 3.56 4.39 -2.04 -2.95 114.58 118.17 3i1j h GLU 116 Ca 0.27 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 3i1j h GLU 116 Cb 0.17 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3i1j h GLU 116 CO -0.17 0.61 -0.00 -0.44 -1.16 0.00 0.00 179.01 177.85 3i1j h ASP 117 N 0.09 0.16 0.00 1.42 3.32 -1.79 -1.65 116.42 117.96 3i1j h ASP 117 Ca -0.00 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3i1j h ASP 117 Cb 0.96 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3i1j h ASP 117 CO 0.07 0.44 0.00 0.33 -1.72 0.00 0.00 179.24 178.36 3i1j n PHE 118 N -4.82 0.00 0.00 4.55 7.35 -0.66 -1.76 117.46 122.11 3i1j n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 3i1j n PHE 118 Cb 0.20 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.03 3i1j n PHE 118 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 3i1j n GLN 120 N 0.26 0.00 0.00 -4.13 7.27 -0.62 -4.63 117.38 115.52 3i1j n GLN 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i1j n GLN 120 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3i1j n GLN 120 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3i1j n VAL 121 N 0.00 0.00 0.00 1.69 0.31 -0.72 -0.77 118.33 118.83 3i1j n VAL 121 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1j n VAL 121 Cb 0.00 -0.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3i1j n VAL 121 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3i1j n HIS 123 N 0.53 0.00 -0.10 3.52 -0.00 -1.26 -0.84 115.22 117.07 3i1j n HIS 123 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 3i1j n HIS 123 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 3i1j n HIS 123 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3i1j h VAL 124 N 0.00 1.27 0.00 3.57 2.07 -1.21 -0.15 116.25 121.80 3i1j h VAL 124 Ca 0.00 -1.04 -0.16 0.00 0.82 0.00 0.00 66.70 66.32 3i1j h VAL 124 Cb 0.00 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3i1j h VAL 124 CO 0.00 0.33 -0.77 0.78 0.02 0.00 0.00 177.57 177.93 3i1j h ASN 125 N 0.31 0.00 0.00 0.57 4.21 -1.22 -3.37 115.58 116.08 3i1j h ASN 125 Ca 0.08 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 3i1j h ASN 125 Cb 0.51 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 3i1j h ASN 125 CO 0.02 0.75 -0.49 0.52 -1.29 0.00 0.00 177.43 176.94 3i1j n VAL 126 N -3.28 0.81 0.03 2.81 0.31 -1.23 -4.41 118.33 113.38 3i1j n VAL 126 Ca 0.01 0.22 -0.12 0.00 -0.01 0.00 0.00 64.34 64.44 3i1j n VAL 126 Cb 0.84 -1.60 -0.07 0.00 -0.91 0.00 0.00 33.84 32.10 3i1j n VAL 126 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3i1j h ASN 127 N -0.08 0.02 -0.87 4.52 2.35 -1.53 -0.50 115.58 119.49 3i1j h ASN 127 Ca -0.02 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3i1j h ASN 127 Cb 0.46 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 3i1j h ASN 127 CO -0.01 0.03 0.44 0.00 -1.65 0.00 0.00 177.43 176.25 3i1j h ALA 128 N 0.99 1.12 -0.55 -0.83 0.00 -1.24 -2.77 119.26 115.97 3i1j h ALA 128 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3i1j h ALA 128 Cb 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3i1j h ALA 128 CO -0.00 0.65 0.27 1.15 0.00 0.00 0.00 179.25 181.32 3i1j h THR 129 N 1.23 1.20 0.00 0.00 2.02 -1.60 -0.74 112.91 115.02 3i1j h THR 129 Ca 0.30 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3i1j h THR 129 Cb 0.08 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3i1j h THR 129 CO -0.04 0.23 0.00 0.33 0.37 0.00 0.00 175.52 176.41 3i1j n PHE 130 N -4.56 0.00 0.00 3.16 7.35 -0.24 -1.19 117.46 121.98 3i1j n PHE 130 Ca 0.03 -0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3i1j n PHE 130 Cb 0.12 -0.01 0.00 0.00 0.35 0.00 0.00 39.48 39.94 3i1j n PHE 130 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3i1j n LEU 132 N 0.49 0.00 0.03 -2.13 7.94 -0.28 -0.59 117.00 122.45 3i1j n LEU 132 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 3i1j n LEU 132 Cb 0.01 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.91 3i1j n LEU 132 CO 0.00 0.00 0.83 0.74 -1.11 0.00 0.00 177.39 177.85 3i1j h THR 133 N 0.00 0.83 -0.78 1.96 2.02 -1.39 -1.82 112.91 113.73 3i1j h THR 133 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3i1j h THR 133 Cb 0.00 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 3i1j h THR 133 CO 0.00 0.00 0.48 -0.09 0.37 0.00 0.00 175.52 176.28 3i1j h ARG 134 N -0.08 0.86 -0.09 6.66 2.43 -1.11 0.12 114.38 123.18 3i1j h ARG 134 Ca 0.04 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3i1j h ARG 134 Cb 0.14 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3i1j h ARG 134 CO -0.10 0.57 -0.23 0.00 -1.51 0.00 0.00 179.97 178.70 3i1j h ALA 135 N 1.36 1.46 0.00 2.80 0.00 -1.74 -3.28 119.26 119.86 3i1j h ALA 135 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i1j h ALA 135 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i1j h ALA 135 CO -0.15 0.39 -1.35 1.28 0.00 0.00 0.00 179.25 179.42 3i1j n LEU 136 N -4.21 0.49 -0.20 0.00 4.77 -0.71 -4.46 117.00 112.67 3i1j n LEU 136 Ca -0.01 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 3i1j n LEU 136 Cb 0.32 -0.05 0.12 0.00 -2.33 0.00 0.00 43.42 41.48 3i1j n LEU 136 CO 0.38 0.02 0.90 -0.07 -1.33 0.00 0.00 177.39 177.29 3i1j h LEU 137 N 0.00 -0.07 -0.96 2.23 3.38 -0.83 -0.69 115.31 118.38 3i1j h LEU 137 Ca 0.00 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3i1j h LEU 137 Cb 0.83 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 3i1j h LEU 137 CO 0.00 -0.03 0.61 -0.65 0.09 0.00 0.00 178.44 178.45 3i1j h PRO 138 N 0.22 1.04 -0.47 1.13 0.11 -1.79 0.65 132.00 132.90 3i1j h PRO 138 Ca 0.33 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 3i1j h PRO 138 Cb 0.51 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3i1j h PRO 138 CO -0.45 0.69 0.27 -0.07 -0.21 0.00 0.00 178.00 178.23 3i1j h LEU 139 N 1.07 0.57 -1.40 2.35 3.38 -1.65 -2.78 115.31 116.86 3i1j h LEU 139 Ca 0.43 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 3i1j h LEU 139 Cb 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3i1j h LEU 139 CO -0.19 0.47 0.25 -0.07 0.09 0.00 0.00 178.44 178.99 3i1j h LEU 140 N 0.62 0.59 -0.26 1.67 3.38 -0.57 -1.60 115.31 119.14 3i1j h LEU 140 Ca 0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i1j h LEU 140 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3i1j h LEU 140 CO -0.03 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.28 3i1j n LYS 141 N -4.41 0.10 0.03 1.13 5.02 0.17 -2.28 118.16 117.93 3i1j n LYS 141 Ca 0.04 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 3i1j n LYS 141 Cb 0.11 -1.67 0.26 0.00 -0.02 0.00 0.00 35.03 33.70 3i1j n LYS 141 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1j n ARG 142 N -1.87 0.15 -2.13 1.97 5.12 -0.66 -4.89 116.66 114.35 3i1j n ARG 142 Ca 0.04 0.05 -0.37 0.00 -1.93 0.00 0.00 57.85 55.64 3i1j n ARG 142 Cb 0.24 -1.60 0.01 0.00 -1.16 0.00 0.00 32.46 29.95 3i1j n ARG 142 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3i1j s SER 143 N -3.64 5.83 0.41 0.55 0.15 -0.97 -4.96 113.70 111.07 3i1j s SER 143 Ca 0.09 2.40 0.21 0.00 0.70 0.00 0.00 55.95 59.35 3i1j s SER 143 Cb 0.16 -2.61 0.83 0.00 -1.71 0.00 0.00 66.02 62.69 3i1j s SER 143 CO 0.69 -1.16 1.80 -0.33 1.20 0.00 0.00 173.24 175.44 3i1j h GLU 144 N 1.72 0.00 -0.96 5.44 4.39 -1.90 -3.43 114.58 119.84 3i1j h GLU 144 Ca -0.50 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.21 3i1j h GLU 144 Cb 1.27 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.71 3i1j h GLU 144 CO 0.59 0.31 -0.38 0.34 -1.16 0.00 0.00 179.01 178.70 3i1j s ASP 145 N -6.38 -1.55 0.14 1.42 2.15 -1.26 -4.88 116.67 106.30 3i1j s ASP 145 Ca -0.00 -0.10 0.09 0.00 0.43 0.00 0.00 52.55 52.97 3i1j s ASP 145 Cb 0.11 1.97 -0.04 0.00 -0.30 0.00 0.00 42.92 44.66 3i1j s ASP 145 CO 0.67 -0.25 -0.17 0.00 -0.17 0.00 0.00 175.17 175.25 3i1j s ALA 146 N 2.54 2.73 -0.03 3.66 0.00 0.00 -4.85 121.76 125.82 3i1j s ALA 146 Ca 0.12 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3i1j s ALA 146 Cb -0.08 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.43 3i1j s ALA 146 CO -0.20 0.55 0.01 0.45 0.00 0.00 0.00 175.76 176.57 3i1j s SER 147 N -2.35 0.34 -0.16 0.00 0.15 -0.04 -1.05 113.70 110.59 3i1j s SER 147 Ca 0.20 0.00 -0.02 0.00 0.70 0.00 0.00 55.95 56.83 3i1j s SER 147 Cb -0.10 -0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3i1j s SER 147 CO 0.11 -0.12 -0.10 -0.63 1.20 0.00 0.00 173.24 173.71 3i1j s ILE 148 N 1.09 3.17 -0.16 6.45 1.01 0.32 -0.71 121.20 132.37 3i1j s ILE 148 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.97 3i1j s ILE 148 Cb -0.13 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.97 3i1j s ILE 148 CO -0.02 0.49 -0.17 0.00 0.00 0.00 0.00 174.94 175.25 3i1j s ALA 149 N 0.73 2.44 0.02 9.38 0.00 0.15 -1.58 121.76 132.91 3i1j s ALA 149 Ca -0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 3i1j s ALA 149 Cb -0.15 -1.22 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 3i1j s ALA 149 CO 0.02 -0.14 0.38 -0.06 0.00 0.00 0.00 175.76 175.95 3i1j s PHE 150 N 0.99 3.65 -0.07 0.00 0.08 0.10 -0.77 117.98 121.96 3i1j s PHE 150 Ca -0.02 0.86 -0.18 0.00 0.12 0.00 0.00 56.93 57.70 3i1j s PHE 150 Cb -0.15 -2.20 -0.05 0.00 -0.57 0.00 0.00 43.02 40.06 3i1j s PHE 150 CO -0.04 0.60 0.50 0.99 -0.10 0.00 0.00 175.22 177.17 3i1j s THR 151 N -1.21 5.09 0.00 0.64 2.01 -0.90 -0.64 115.64 120.62 3i1j s THR 151 Ca 0.27 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.28 3i1j s THR 151 Cb -0.15 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3i1j s THR 151 CO 0.15 0.39 0.00 -0.24 -0.69 0.00 0.00 174.62 174.23 3i1j n SER 152 N 3.12 0.27 -3.56 3.53 2.88 0.99 -4.89 113.62 115.97 3i1j n SER 152 Ca -0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.37 3i1j n SER 152 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 3i1j n SER 152 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i1j s SER 153 N 1.00 -0.35 0.48 -3.46 0.15 -1.26 -4.37 113.70 105.89 3i1j s SER 153 Ca 0.00 0.24 0.24 0.00 0.70 0.00 0.00 55.95 57.12 3i1j s SER 153 Cb 0.00 0.31 1.27 0.00 -1.71 0.00 0.00 66.02 65.89 3i1j s SER 153 CO 0.00 -0.42 1.89 0.77 1.20 0.00 0.00 173.24 176.68 3i1j h SER 154 N 2.33 0.20 0.31 5.45 4.64 -1.95 -0.57 113.55 123.97 3i1j h SER 154 Ca -0.19 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3i1j h SER 154 Cb 1.19 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3i1j h SER 154 CO 0.30 0.08 -0.03 1.33 -0.87 0.00 0.00 176.83 177.65 3i1j n VAL 155 N -4.40 0.00 1.26 0.95 0.24 -1.26 -0.89 118.33 114.23 3i1j n VAL 155 Ca 0.18 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.58 3i1j n VAL 155 Cb 0.78 -0.36 0.36 0.00 -1.47 0.00 0.00 33.84 33.15 3i1j n VAL 155 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1j n GLY 156 N 1.19 -0.41 0.00 7.63 0.00 -0.22 -4.21 105.19 109.16 3i1j n GLY 156 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 46.02 45.75 3i1j n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1j n ARG 157 N -0.41 2.07 -3.69 1.61 1.74 -0.85 -3.61 116.66 113.53 3i1j n ARG 157 Ca 0.13 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.98 3i1j n ARG 157 Cb 0.37 -1.01 -0.17 0.00 -1.02 0.00 0.00 32.46 30.62 3i1j n ARG 157 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3i1j s LYS 158 N -2.01 0.24 0.49 5.56 2.47 -0.07 -5.13 119.74 121.29 3i1j s LYS 158 Ca -0.01 0.06 -0.23 0.00 -1.56 0.00 0.00 55.97 54.23 3i1j s LYS 158 Cb 0.00 -1.25 -0.07 0.00 -1.46 0.00 0.00 37.83 35.06 3i1j s LYS 158 CO 0.02 -0.47 1.26 0.20 0.16 0.00 0.00 175.35 176.52 3i1j s GLY 159 N 2.06 2.84 0.02 5.54 0.00 -1.26 -4.13 107.32 112.40 3i1j s GLY 159 Ca 0.03 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.89 3i1j s GLY 159 CO -0.06 1.63 -0.03 0.50 0.00 0.00 0.00 173.10 175.14 3i1j s ARG 160 N -2.72 0.29 0.50 2.90 3.00 -1.26 -5.06 118.95 116.59 3i1j s ARG 160 Ca 0.66 -0.52 -0.22 0.00 0.00 0.00 0.00 55.73 55.65 3i1j s ARG 160 Cb -0.34 0.04 -0.08 0.00 0.00 0.00 0.00 34.95 34.57 3i1j s ARG 160 CO 0.42 -0.03 1.04 0.00 0.00 0.00 0.00 175.30 176.73 3i1j n ALA 161 N 1.84 0.39 -2.21 2.13 0.00 -1.26 -3.35 120.51 118.05 3i1j n ALA 161 Ca -0.22 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3i1j n ALA 161 Cb 0.56 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 3i1j n ALA 161 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1j n ASN 162 N -0.08 -5.65 -0.96 0.00 5.03 -1.26 -4.89 115.26 107.45 3i1j n ASN 162 Ca 0.11 0.09 0.11 0.00 0.87 0.00 0.00 54.58 55.76 3i1j n ASN 162 Cb 0.43 -4.73 0.27 0.00 -1.02 0.00 0.00 39.78 34.73 3i1j n ASN 162 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3i1j n TRP 163 N -3.68 0.44 -0.22 3.10 7.02 -1.21 -4.16 117.44 118.72 3i1j n TRP 163 Ca -0.23 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.03 3i1j n TRP 163 Cb 0.68 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 3i1j n TRP 163 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3i1j n GLY 164 N 1.38 3.16 0.04 6.99 0.00 -1.26 -0.58 105.19 114.93 3i1j n GLY 164 Ca 0.18 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.25 3i1j n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j n ALA 165 N 9.95 2.78 0.13 4.61 0.00 -1.26 -4.18 120.51 132.54 3i1j n ALA 165 Ca 0.00 -0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3i1j n ALA 165 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 3i1j n ALA 165 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i1j h TYR 166 N 0.00 -0.26 -0.26 0.00 3.20 -0.95 0.47 116.97 119.16 3i1j h TYR 166 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i1j h TYR 166 Cb 0.62 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3i1j h TYR 166 CO 0.00 -0.07 0.17 0.78 -1.64 0.00 0.00 178.16 177.41 3i1j h GLY 167 N -0.41 0.37 0.24 1.82 0.00 -1.70 -1.68 103.07 101.71 3i1j h GLY 167 Ca -0.03 -0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.28 3i1j h GLY 167 CO 0.05 0.14 0.19 -2.08 0.00 0.00 0.00 176.54 174.83 3i1j h VAL 168 N 0.36 0.68 -0.14 4.60 2.07 -1.71 -0.43 116.25 121.67 3i1j h VAL 168 Ca 0.10 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3i1j h VAL 168 Cb -0.04 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3i1j h VAL 168 CO -0.02 0.06 -0.29 0.77 0.02 0.00 0.00 177.57 178.11 3i1j h SER 169 N 0.34 0.27 0.80 0.57 4.64 -0.31 -1.38 113.55 118.48 3i1j h SER 169 Ca 0.33 -0.09 -0.22 0.00 -0.47 0.00 0.00 61.79 61.35 3i1j h SER 169 Cb 0.47 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3i1j h SER 169 CO -0.37 0.56 -1.00 0.11 -0.87 0.00 0.00 176.83 175.26 3i1j h LYS 170 N 0.24 0.10 -0.30 4.77 1.79 -0.51 -0.11 116.57 122.55 3i1j h LYS 170 Ca 0.03 -0.15 0.03 0.00 -2.18 0.00 0.00 60.65 58.38 3i1j h LYS 170 Cb 0.64 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 3i1j h LYS 170 CO 0.05 1.01 0.12 0.74 -1.08 0.00 0.00 179.45 180.28 3i1j h PHE 171 N 0.04 0.21 -0.66 -1.35 -1.00 -0.86 -1.36 116.94 111.96 3i1j h PHE 171 Ca -0.04 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.77 3i1j h PHE 171 Cb 1.71 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 41.18 3i1j h PHE 171 CO 0.02 0.10 0.42 0.00 -1.61 0.00 0.00 178.31 177.24 3i1j h ALA 172 N 1.18 0.86 -0.54 2.45 0.00 -1.11 -1.38 119.26 120.72 3i1j h ALA 172 Ca 0.13 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3i1j h ALA 172 Cb 0.09 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 3i1j h ALA 172 CO -0.13 0.20 0.15 1.15 0.00 0.00 0.00 179.25 180.62 3i1j h THR 173 N 0.83 0.75 -0.64 0.00 2.02 -0.66 0.29 112.91 115.50 3i1j h THR 173 Ca 0.26 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 3i1j h THR 173 Cb -0.01 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3i1j h THR 173 CO -0.09 0.06 0.08 -0.33 0.37 0.00 0.00 175.52 175.61 3i1j h GLU 174 N 0.31 1.06 -0.22 6.66 4.39 -0.82 -2.79 114.58 123.16 3i1j h GLU 174 Ca 0.27 -0.29 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3i1j h GLU 174 Cb 0.35 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3i1j h GLU 174 CO -0.31 0.98 0.06 0.78 -1.16 0.00 0.00 179.01 179.36 3i1j h GLY 175 N 1.03 0.26 -0.89 -3.84 0.00 -0.18 -0.68 103.07 98.77 3i1j h GLY 175 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3i1j h GLY 175 CO 0.02 0.01 0.00 -0.10 0.00 0.00 0.00 176.54 176.47 3i1j n LEU 176 N -5.06 0.00 0.00 3.11 7.94 0.93 -1.52 117.00 122.40 3i1j n LEU 176 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 3i1j n LEU 176 Cb 0.09 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.04 3i1j n LEU 176 CO 0.29 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.57 3i1j n GLN 178 N 0.36 0.00 0.03 1.96 6.02 -0.26 -1.07 117.38 124.42 3i1j n GLN 178 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3i1j n GLN 178 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 3i1j n GLN 178 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3i1j h THR 179 N 0.00 1.15 -0.54 5.09 2.02 -1.53 -2.40 112.91 116.71 3i1j h THR 179 Ca 0.00 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3i1j h THR 179 Cb 0.00 1.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3i1j h THR 179 CO 0.00 0.15 0.24 0.25 0.37 0.00 0.00 175.52 176.53 3i1j h LEU 180 N -0.30 0.72 -0.92 2.58 5.85 -1.35 -2.13 115.31 119.76 3i1j h LEU 180 Ca -0.00 -0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.71 3i1j h LEU 180 Cb 0.28 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3i1j h LEU 180 CO 0.01 0.67 0.53 0.00 -0.34 0.00 0.00 178.44 179.30 3i1j h ALA 181 N 1.08 1.40 -0.18 1.25 0.00 -1.78 0.92 119.26 121.95 3i1j h ALA 181 Ca 0.18 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3i1j h ALA 181 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i1j h ALA 181 CO -0.02 0.04 -0.35 0.22 0.00 0.00 0.00 179.25 179.14 3i1j h ASP 182 N 0.78 0.40 0.56 0.00 3.58 -1.02 -1.63 116.42 119.08 3i1j h ASP 182 Ca 0.48 -0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.60 3i1j h ASP 182 Cb 0.60 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3i1j h ASP 182 CO -0.32 0.73 -0.78 -0.33 -2.88 0.00 0.00 179.24 175.66 3i1j h GLU 183 N 0.33 0.17 0.00 0.28 5.08 -0.64 -3.30 114.58 116.50 3i1j h GLU 183 Ca 0.04 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 3i1j h GLU 183 Cb 0.78 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3i1j h GLU 183 CO 0.06 0.86 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.49 3i1j h LEU 184 N 0.10 0.00 -9.50 1.33 3.38 -0.54 -3.45 115.31 106.63 3i1j h LEU 184 Ca -0.03 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.41 3i1j h LEU 184 Cb 1.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.14 3i1j h LEU 184 CO 0.12 0.28 1.03 -0.70 0.09 0.00 0.00 178.44 179.25 3i1j s GLU 185 N -3.08 4.17 0.00 1.13 2.56 -0.64 -2.44 118.70 120.40 3i1j s GLU 185 Ca 0.05 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.46 3i1j s GLU 185 Cb 0.07 -3.51 0.00 0.00 2.00 0.00 0.00 34.13 32.69 3i1j s GLU 185 CO 0.72 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 175.07 3i1j n GLY 186 N 4.05 1.96 0.26 -1.50 0.00 -1.26 -4.65 105.19 104.05 3i1j n GLY 186 Ca 0.16 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 3i1j n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1j n VAL 187 N -1.69 0.00 -4.25 1.61 0.24 -1.20 -5.01 118.33 108.04 3i1j n VAL 187 Ca 0.00 -0.37 -0.16 0.00 -2.04 0.00 0.00 64.34 61.77 3i1j n VAL 187 Cb 0.00 1.14 -0.09 0.00 -1.47 0.00 0.00 33.84 33.42 3i1j n VAL 187 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1j s THR 188 N -1.57 0.01 -0.27 3.34 -4.23 -1.02 -5.05 115.64 106.85 3i1j s THR 188 Ca 0.10 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.73 3i1j s THR 188 Cb 0.10 -2.50 0.61 0.00 1.34 0.00 0.00 72.50 72.04 3i1j s THR 188 CO 0.31 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.98 3i1j n ALA 189 N -0.47 3.99 -2.86 3.99 0.00 -1.26 -4.86 120.51 119.04 3i1j n ALA 189 Ca 0.05 -2.56 -0.34 0.00 0.00 0.00 0.00 53.44 50.59 3i1j n ALA 189 Cb 0.64 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 19.04 3i1j n ALA 189 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i1j s VAL 190 N -3.02 3.92 0.16 0.00 1.01 -1.26 -0.82 120.40 120.39 3i1j s VAL 190 Ca 0.48 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3i1j s VAL 190 Cb 0.40 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3i1j s VAL 190 CO 0.08 0.52 0.07 0.00 0.00 0.00 0.00 175.10 175.78 3i1j s ARG 191 N 0.01 2.69 -0.04 2.72 1.70 -0.22 -4.68 118.95 121.14 3i1j s ARG 191 Ca 0.01 -0.94 0.01 0.00 -0.47 0.00 0.00 55.73 54.34 3i1j s ARG 191 Cb -0.13 -2.54 0.02 0.00 -0.57 0.00 0.00 34.95 31.73 3i1j s ARG 191 CO 0.03 0.48 -0.05 0.00 -1.08 0.00 0.00 175.30 174.68 3i1j s ALA 192 N -1.68 0.67 0.18 7.88 0.00 -1.26 -0.52 121.76 127.03 3i1j s ALA 192 Ca 0.29 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 3i1j s ALA 192 Cb -0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3i1j s ALA 192 CO 0.21 -0.01 0.24 -0.80 0.00 0.00 0.00 175.76 175.41 3i1j s ASN 193 N 0.90 0.09 0.22 0.00 0.01 -0.61 0.41 114.94 115.95 3i1j s ASN 193 Ca -0.11 -1.04 0.10 0.00 -0.71 0.00 0.00 52.86 51.10 3i1j s ASN 193 Cb -0.14 0.42 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 3i1j s ASN 193 CO 0.00 -0.89 -0.13 -0.94 -1.51 0.00 0.00 177.10 173.63 3i1j s SER 194 N -3.03 3.99 -0.12 -1.22 1.04 -0.31 -0.72 113.70 113.34 3i1j s SER 194 Ca 0.23 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.93 3i1j s SER 194 Cb 0.04 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.62 3i1j s SER 194 CO 0.04 0.08 -0.11 -0.63 0.98 0.00 0.00 173.24 173.60 3i1j s ILE 195 N -1.95 1.25 -0.45 -1.02 1.01 0.19 -0.97 121.20 119.26 3i1j s ILE 195 Ca 0.26 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 3i1j s ILE 195 Cb -0.07 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.22 3i1j s ILE 195 CO 0.15 0.40 0.61 0.21 0.00 0.00 0.00 174.94 176.31 3i1j s ASN 196 N 1.41 6.28 0.46 3.58 2.47 0.19 -0.01 114.94 129.32 3i1j s ASN 196 Ca 0.01 -0.51 0.26 0.00 0.42 0.00 0.00 52.86 53.03 3i1j s ASN 196 Cb -0.13 -2.30 0.84 0.00 -1.45 0.00 0.00 41.25 38.21 3i1j s ASN 196 CO -0.06 -0.78 1.79 1.55 -3.72 0.00 0.00 177.10 175.87 3i1j h PRO 197 N 8.89 0.00 0.00 0.43 0.13 -1.88 -0.46 132.00 139.11 3i1j h PRO 197 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3i1j h PRO 197 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i1j h PRO 197 CO 0.90 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 3i1j n GLY 198 N 0.44 -1.22 3.73 1.56 0.00 -1.26 -4.39 105.19 104.04 3i1j n GLY 198 Ca 0.01 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3i1j n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1j s ALA 199 N -1.14 3.24 0.06 4.61 0.00 -1.26 -5.06 121.76 122.21 3i1j s ALA 199 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.51 3i1j s ALA 199 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3i1j s ALA 199 CO 0.00 -0.06 -0.05 0.95 0.00 0.00 0.00 175.76 176.60 3i1j s THR 200 N 0.20 0.46 -1.03 0.00 -4.23 -1.26 -4.18 115.64 105.60 3i1j s THR 200 Ca 0.47 -1.60 -0.21 0.00 -1.18 0.00 0.00 61.69 59.17 3i1j s THR 200 Cb -0.23 -1.25 0.08 0.00 1.34 0.00 0.00 72.50 72.45 3i1j s THR 200 CO 0.29 -0.76 1.37 -0.60 -0.54 0.00 0.00 174.62 174.38 3i1j s ARG 201 N -3.11 3.65 0.15 3.99 3.52 0.33 -4.67 118.95 122.83 3i1j s ARG 201 Ca 0.03 -1.48 -0.04 0.00 -0.13 0.00 0.00 55.73 54.10 3i1j s ARG 201 Cb 0.01 -5.22 -0.03 0.00 -1.56 0.00 0.00 34.95 28.15 3i1j s ARG 201 CO -0.05 -2.05 0.17 0.95 -0.81 0.00 0.00 175.30 173.51 3i1j s THR 202 N 4.01 0.07 0.00 4.11 -4.23 -1.26 -4.49 115.64 113.85 3i1j s THR 202 Ca 0.42 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3i1j s THR 202 Cb -0.01 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.81 3i1j s THR 202 CO -0.08 -0.34 0.46 0.61 -0.54 0.00 0.00 174.62 174.73 3i1j n GLY 203 N -0.17 0.88 0.61 3.99 0.00 -1.26 -1.80 105.19 107.44 3i1j n GLY 203 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i1j n GLY 203 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i1j n ARG 205 N 0.89 0.00 -0.09 1.61 3.00 -1.26 -1.32 116.66 119.50 3i1j n ARG 205 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 3i1j n ARG 205 Cb 0.21 0.00 0.21 0.00 0.00 0.00 0.00 32.46 32.88 3i1j n ARG 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1j h ALA 206 N 0.00 1.23 -0.40 5.13 0.00 -1.63 -1.29 119.26 122.30 3i1j h ALA 206 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3i1j h ALA 206 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3i1j h ALA 206 CO 0.00 0.52 0.26 0.37 0.00 0.00 0.00 179.25 180.40 3i1j h GLN 207 N 0.70 0.51 0.00 0.00 4.15 -1.48 -3.03 115.11 115.97 3i1j h GLN 207 Ca 0.15 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.43 3i1j h GLN 207 Cb 0.35 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3i1j h GLN 207 CO 0.01 0.34 -0.50 0.00 -1.93 0.00 0.00 178.83 176.74 3i1j h ALA 208 N 1.15 1.10 -2.56 3.38 0.00 -1.74 -3.34 119.26 117.25 3i1j h ALA 208 Ca 0.15 -0.46 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 3i1j h ALA 208 Cb -0.05 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.26 3i1j h ALA 208 CO -0.04 0.63 -0.76 0.66 0.00 0.00 0.00 179.25 179.74 3i1j n TYR 209 N -3.84 1.75 0.31 0.00 4.01 -0.52 -4.98 117.16 113.87 3i1j n TYR 209 Ca -0.01 -3.91 0.18 0.00 -0.16 0.00 0.00 57.90 54.00 3i1j n TYR 209 Cb 0.53 -0.34 1.02 0.00 -0.31 0.00 0.00 39.34 40.24 3i1j n TYR 209 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i1j h PRO 210 N 5.00 0.00 -0.02 -0.72 0.13 -1.67 -2.42 132.00 132.31 3i1j h PRO 210 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3i1j h PRO 210 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3i1j h PRO 210 CO 0.62 0.00 -0.25 -3.47 -0.23 0.00 0.00 178.00 174.67 3i1j n ASP 211 N -3.52 2.18 -4.74 1.44 2.03 -1.26 -4.94 116.55 107.74 3i1j n ASP 211 Ca -0.02 -1.59 -0.41 0.00 0.52 0.00 0.00 54.79 53.29 3i1j n ASP 211 Cb 0.11 0.29 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 3i1j n ASP 211 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3i1j s GLU 212 N -2.00 4.73 -0.22 -0.67 2.12 -0.91 -5.04 118.70 116.72 3i1j s GLU 212 Ca 0.19 1.53 -0.28 0.00 0.36 0.00 0.00 54.97 56.77 3i1j s GLU 212 Cb 0.16 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3i1j s GLU 212 CO 0.40 0.29 0.99 1.21 -0.54 0.00 0.00 175.26 177.61 3i1j s ASN 213 N -0.47 7.06 0.62 -1.70 3.04 -1.26 -4.93 114.94 117.30 3i1j s ASN 213 Ca 0.45 1.32 0.29 0.00 0.04 0.00 0.00 52.86 54.96 3i1j s ASN 213 Cb -0.26 -2.52 1.55 0.00 -1.54 0.00 0.00 41.25 38.48 3i1j s ASN 213 CO 0.32 -0.61 1.92 -0.65 -3.04 0.00 0.00 177.10 175.04 3i1j h PRO 214 N 7.46 0.00 -0.17 0.43 0.11 -1.96 -1.91 132.00 135.96 3i1j h PRO 214 Ca -0.21 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.95 3i1j h PRO 214 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3i1j h PRO 214 CO 0.94 0.00 0.19 1.25 -0.21 0.00 0.00 178.00 180.17 3i1j h LEU 215 N 0.00 0.00 -1.45 2.35 5.85 -1.99 -0.47 115.31 119.60 3i1j h LEU 215 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3i1j h LEU 215 Cb 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i1j h LEU 215 CO -0.00 0.00 0.00 0.78 -0.34 0.00 0.00 178.44 178.88 3i1j h ASN 216 N 0.00 0.00 -3.59 1.25 -0.26 -1.76 -3.45 115.58 107.77 3i1j h ASN 216 Ca 0.08 0.00 -0.67 0.00 -0.56 0.00 0.00 56.30 55.15 3i1j h ASN 216 Cb 0.46 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.55 3i1j h ASN 216 CO -0.00 0.00 -0.73 0.20 -1.06 0.00 0.00 177.43 175.84 3i1j s ASN 217 N -4.55 4.48 0.60 5.81 0.02 -0.19 -5.07 114.94 116.04 3i1j s ASN 217 Ca -0.00 -0.29 -0.15 0.00 -1.02 0.00 0.00 52.86 51.39 3i1j s ASN 217 Cb 0.09 -0.93 -0.03 0.00 0.02 0.00 0.00 41.25 40.39 3i1j s ASN 217 CO 0.35 0.22 1.06 -2.16 0.02 0.00 0.00 177.10 176.58 3i1j s PRO 218 N -1.92 3.30 0.48 -0.60 0.04 -1.26 -4.27 135.00 130.77 3i1j s PRO 218 Ca 0.20 1.19 -0.24 0.00 0.04 0.00 0.00 61.00 62.19 3i1j s PRO 218 Cb -0.11 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 3i1j s PRO 218 CO 0.12 -0.82 1.33 0.00 0.04 0.00 0.00 177.00 177.66 3i1j s ALA 219 N -2.49 3.04 0.55 8.56 0.00 -1.26 -0.51 121.76 129.66 3i1j s ALA 219 Ca 0.63 1.28 0.22 0.00 0.00 0.00 0.00 51.96 54.09 3i1j s ALA 219 Cb -0.16 -3.52 1.50 0.00 0.00 0.00 0.00 23.12 20.94 3i1j s ALA 219 CO 0.38 -1.09 2.19 -1.00 0.00 0.00 0.00 175.76 176.24 3i1j h PRO 220 N 2.04 0.00 0.00 0.00 0.13 -1.91 -0.53 132.00 131.74 3i1j h PRO 220 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i1j h PRO 220 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3i1j h PRO 220 CO 0.60 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.42 3i1j h GLU 221 N 0.00 0.00 -0.00 0.86 9.09 -1.90 -2.25 114.58 120.38 3i1j h GLU 221 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3i1j h GLU 221 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 3i1j h GLU 221 CO 0.00 0.00 -0.27 -0.25 0.05 0.00 0.00 179.01 178.54 3i1j n ASP 222 N -2.37 0.55 -4.28 3.06 8.00 -0.21 -4.95 116.55 116.36 3i1j n ASP 222 Ca 0.01 -0.38 -0.44 0.00 0.71 0.00 0.00 54.79 54.69 3i1j n ASP 222 Cb 0.21 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3i1j n ASP 222 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i1j s ILE 223 N -2.74 5.28 0.00 0.53 -4.36 -0.85 -5.05 121.20 114.01 3i1j s ILE 223 Ca 0.19 -2.84 0.00 0.00 -0.26 0.00 0.00 60.65 57.74 3i1j s ILE 223 Cb 0.19 -4.26 0.00 0.00 1.25 0.00 0.00 42.46 39.64 3i1j s ILE 223 CO 0.57 -1.04 0.00 -2.65 0.24 0.00 0.00 174.94 172.07 3i1j n PRO 225 N 3.53 0.00 0.09 0.37 -0.02 -1.26 -4.51 135.00 133.20 3i1j n PRO 225 Ca 0.15 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3i1j n PRO 225 Cb 0.43 -0.04 0.26 0.00 -0.02 0.00 0.00 33.50 34.13 3i1j n PRO 225 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3i1j h VAL 226 N 0.00 1.27 -0.77 -1.45 3.04 -1.86 -0.68 116.25 115.80 3i1j h VAL 226 Ca 0.00 -1.30 -0.05 0.00 -1.01 0.00 0.00 66.70 64.34 3i1j h VAL 226 Cb 0.00 1.52 -0.03 0.00 -2.01 0.00 0.00 31.29 30.77 3i1j h VAL 226 CO 0.00 0.39 0.28 1.88 -1.01 0.00 0.00 177.57 179.12 3i1j h TYR 227 N 0.23 1.19 -0.08 3.17 -1.99 -1.98 -2.11 116.97 115.40 3i1j h TYR 227 Ca 0.03 -0.10 -0.22 0.00 2.00 0.00 0.00 58.73 60.44 3i1j h TYR 227 Cb 0.68 -0.35 0.01 0.00 2.00 0.00 0.00 36.73 39.08 3i1j h TYR 227 CO 0.01 0.91 -0.81 -0.07 -0.00 0.00 0.00 178.16 178.20 3i1j h LEU 228 N 1.12 0.85 0.06 3.88 3.38 -1.89 -3.31 115.31 119.40 3i1j h LEU 228 Ca 0.25 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3i1j h LEU 228 Cb 0.25 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3i1j h LEU 228 CO -0.02 1.41 -0.30 0.22 0.09 0.00 0.00 178.44 179.85 3i1j h TYR 229 N 0.37 -0.80 0.00 1.13 3.20 -1.01 -2.58 116.97 117.27 3i1j h TYR 229 Ca -0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3i1j h TYR 229 Cb 1.46 0.35 0.00 0.00 1.54 0.00 0.00 36.73 40.08 3i1j h TYR 229 CO 0.10 -0.40 0.00 1.28 -1.64 0.00 0.00 178.16 177.51 3i1j n LEU 230 N -5.40 0.38 0.00 2.82 4.77 -0.80 -3.81 117.00 114.95 3i1j n LEU 230 Ca -0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 3i1j n LEU 230 Cb 0.31 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3i1j n LEU 230 CO 0.22 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3i1j n GLY 232 N 1.07 0.00 0.18 -0.72 0.00 -0.98 -4.77 105.19 99.98 3i1j n GLY 232 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3i1j n GLY 232 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1j h PRO 233 N 0.00 0.00 0.00 1.61 0.13 -1.83 -2.80 132.00 129.12 3i1j h PRO 233 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3i1j h PRO 233 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3i1j h PRO 233 CO 0.00 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.33 3i1j h ASP 234 N 0.00 0.00 -0.66 1.44 3.32 -1.95 -2.40 116.42 116.16 3i1j h ASP 234 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i1j h ASP 234 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3i1j h ASP 234 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3i1j n SER 235 N -2.43 4.27 -4.72 6.45 3.41 -1.05 -4.98 113.62 114.57 3i1j n SER 235 Ca 0.01 -2.22 -0.43 0.00 -0.26 0.00 0.00 58.87 55.97 3i1j n SER 235 Cb 0.22 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.64 3i1j n SER 235 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3i1j n THR 236 N 1.30 1.25 -0.47 6.66 -1.04 -0.91 -1.74 114.28 119.33 3i1j n THR 236 Ca 0.24 -0.31 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3i1j n THR 236 Cb 0.74 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 3i1j n THR 236 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1j n GLY 237 N 1.78 1.31 3.54 3.41 0.00 -1.26 -5.01 105.19 108.96 3i1j n GLY 237 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i1j n GLY 237 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1j s ILE 238 N -3.20 5.09 -0.13 -0.61 -1.09 -0.71 -5.03 121.20 115.53 3i1j s ILE 238 Ca 0.00 0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.43 3i1j s ILE 238 Cb 0.00 -3.91 0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3i1j s ILE 238 CO 0.00 -0.19 0.33 0.21 -1.23 0.00 0.00 174.94 174.06 3i1j s ASN 239 N 1.76 -0.36 -0.03 3.58 3.04 -1.26 -4.57 114.94 117.09 3i1j s ASN 239 Ca 0.15 0.68 0.00 0.00 0.04 0.00 0.00 52.86 53.73 3i1j s ASN 239 Cb -0.16 0.66 0.00 0.00 -1.54 0.00 0.00 41.25 40.21 3i1j s ASN 239 CO 0.13 -0.13 0.00 0.61 -3.04 0.00 0.00 177.10 174.66 3i1j n GLY 240 N 3.24 0.47 3.89 1.21 0.00 0.16 -4.96 105.19 109.21 3i1j n GLY 240 Ca -0.16 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 3i1j n GLY 240 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i1j s GLN 241 N -0.64 3.45 -0.49 1.61 -1.52 -1.26 -4.87 119.66 115.93 3i1j s GLN 241 Ca 0.00 -0.23 -0.12 0.00 -1.95 0.00 0.00 55.36 53.06 3i1j s GLN 241 Cb 0.00 -3.14 0.12 0.00 -0.22 0.00 0.00 33.01 29.77 3i1j s GLN 241 CO 0.00 0.72 0.40 0.00 -0.25 0.00 0.00 175.29 176.15 3i1j s ALA 242 N -1.20 3.48 0.28 6.09 0.00 -1.26 -1.16 121.76 127.99 3i1j s ALA 242 Ca 0.22 -2.51 0.06 0.00 0.00 0.00 0.00 51.96 49.74 3i1j s ALA 242 Cb -0.12 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3i1j s ALA 242 CO 0.13 -1.93 0.34 -0.51 0.00 0.00 0.00 175.76 173.78 3i1j s LEU 243 N 1.45 3.99 -0.07 0.00 1.43 -0.15 -4.98 118.68 120.36 3i1j s LEU 243 Ca 0.05 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3i1j s LEU 243 Cb -0.27 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 3i1j s LEU 243 CO 0.01 -0.20 -0.19 0.20 0.23 0.00 0.00 176.35 176.40 3i1j s ASN 244 N -4.00 3.63 0.27 2.29 0.01 -1.26 -0.64 114.94 115.24 3i1j s ASN 244 Ca 0.38 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 52.20 3i1j s ASN 244 Cb -0.08 -0.96 0.39 0.00 0.41 0.00 0.00 41.25 41.01 3i1j s ASN 244 CO 0.28 0.27 1.70 0.00 -1.51 0.00 0.00 177.10 177.85 3i1j h ALA 245 N 5.87 1.07 0.00 0.60 0.00 -1.32 -3.40 119.26 122.08 3i1j h ALA 245 Ca -0.37 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3i1j h ALA 245 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3i1j h ALA 245 CO 0.50 0.57 0.00 1.04 0.00 0.00 0.00 179.25 181.36