#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3m s MET 4 N 0.00 2.69 -0.10 1.61 1.00 -1.26 -5.08 119.30 118.16 1j3m s MET 4 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 55.69 54.47 1j3m s MET 4 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 34.83 31.43 1j3m s MET 4 CO 0.00 -0.63 0.27 1.03 0.00 0.00 0.00 175.02 175.69 1j3m s ARG 5 N 1.41 0.30 -0.18 2.03 0.52 -1.26 -1.49 118.95 120.29 1j3m s ARG 5 Ca -0.01 0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 55.45 1j3m s ARG 5 Cb -0.19 0.11 0.05 0.00 0.52 0.00 0.00 34.95 35.43 1j3m s ARG 5 CO 0.03 -0.06 0.47 0.21 0.02 0.00 0.00 175.30 175.97 1j3m s LYS 6 N 0.34 0.55 -0.20 3.54 2.20 -0.52 -4.99 119.74 120.66 1j3m s LYS 6 Ca -0.02 0.66 -0.09 0.00 -0.36 0.00 0.00 55.97 56.16 1j3m s LYS 6 Cb -0.03 0.26 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1j3m s LYS 6 CO -0.01 -0.07 0.12 0.99 -0.36 0.00 0.00 175.35 176.02 1j3m s THR 7 N 0.27 5.26 -0.03 3.43 2.01 -1.26 0.05 115.64 125.36 1j3m s THR 7 Ca -0.00 0.14 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1j3m s THR 7 Cb -0.03 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 1j3m s THR 7 CO 0.00 0.44 0.06 -0.76 -0.69 0.00 0.00 174.62 173.67 1j3m s LEU 8 N 0.43 3.82 -0.96 4.42 1.43 0.76 -4.94 118.68 123.63 1j3m s LEU 8 Ca 0.07 0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.15 1j3m s LEU 8 Cb -0.12 -2.12 0.15 0.00 0.03 0.00 0.00 46.19 44.13 1j3m s LEU 8 CO -0.01 0.31 1.13 -0.54 0.23 0.00 0.00 176.35 177.47 1j3m s LYS 9 N -1.46 3.67 0.04 1.70 1.02 -1.26 -0.94 119.74 122.52 1j3m s LYS 9 Ca 0.20 -1.94 -0.27 0.00 0.02 0.00 0.00 55.97 53.97 1j3m s LYS 9 Cb -0.12 -4.89 0.08 0.00 -0.52 0.00 0.00 37.83 32.39 1j3m s LYS 9 CO 0.10 -1.72 0.72 0.00 -0.92 0.00 0.00 175.35 173.52 1j3m s ALA 10 N 2.28 -1.72 0.88 5.17 0.00 -1.26 -5.03 121.76 122.07 1j3m s ALA 10 Ca 0.33 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 53.06 1j3m s ALA 10 Cb -0.05 0.42 0.13 0.00 0.00 0.00 0.00 23.12 23.62 1j3m s ALA 10 CO -0.08 -0.61 1.23 0.95 0.00 0.00 0.00 175.76 177.25 1j3m s THR 11 N -2.72 1.99 0.13 0.00 -4.23 -1.26 -4.18 115.64 105.36 1j3m s THR 11 Ca -0.01 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.29 1j3m s THR 11 Cb -0.01 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 1j3m s THR 11 CO -0.05 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 175.97 1j3m h LEU 12 N -1.33 -0.28 -0.92 4.79 5.85 -1.99 0.04 115.31 121.47 1j3m h LEU 12 Ca -0.46 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1j3m h LEU 12 Cb 1.29 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1j3m h LEU 12 CO 0.54 -0.11 -0.04 0.00 -0.34 0.00 0.00 178.44 178.49 1j3m h ALA 13 N 1.08 1.10 0.23 1.25 0.00 -1.99 0.24 119.26 121.18 1j3m h ALA 13 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1j3m h ALA 13 Cb 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1j3m h ALA 13 CO -0.22 0.56 -0.11 0.93 0.00 0.00 0.00 179.25 180.42 1j3m h GLU 14 N 0.69 -0.30 -0.48 0.00 5.08 -1.86 -1.65 114.58 116.06 1j3m h GLU 14 Ca 0.13 0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.60 1j3m h GLU 14 Cb 0.48 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1j3m h GLU 14 CO 0.02 -0.10 0.04 0.00 -1.00 0.00 0.00 179.01 177.98 1j3m h ALA 15 N 0.29 0.49 -0.61 3.43 0.00 -0.69 -1.19 119.26 120.99 1j3m h ALA 15 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j3m h ALA 15 Cb 0.34 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1j3m h ALA 15 CO 0.05 -0.35 0.40 -0.09 0.00 0.00 0.00 179.25 179.26 1j3m h ARG 16 N 0.17 0.80 -0.63 0.00 2.43 -0.89 0.19 114.38 116.45 1j3m h ARG 16 Ca 0.24 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1j3m h ARG 16 Cb 0.34 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1j3m h ARG 16 CO -0.36 0.53 0.14 0.00 -1.51 0.00 0.00 179.97 178.77 1j3m h ALA 17 N 1.22 0.83 -0.51 2.80 0.00 -1.09 -1.07 119.26 121.44 1j3m h ALA 17 Ca 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1j3m h ALA 17 Cb -0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1j3m h ALA 17 CO -0.05 0.55 0.12 1.96 0.00 0.00 0.00 179.25 181.84 1j3m h GLN 18 N 0.93 0.81 0.16 0.00 4.20 -0.87 -0.98 115.11 119.36 1j3m h GLN 18 Ca 0.19 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1j3m h GLN 18 Cb 0.38 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 1j3m h GLN 18 CO 0.00 0.78 -0.28 0.28 -0.67 0.00 0.00 178.83 178.95 1j3m h VAL 19 N 0.70 0.40 -0.81 -0.54 2.07 -0.57 0.10 116.25 117.60 1j3m h VAL 19 Ca 0.16 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 1j3m h VAL 19 Cb 0.33 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1j3m h VAL 19 CO 0.00 0.00 0.43 -0.08 0.02 0.00 0.00 177.57 177.94 1j3m h GLU 20 N -0.51 0.66 -0.18 1.57 4.81 -1.16 -0.56 114.58 119.20 1j3m h GLU 20 Ca 0.02 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.07 1j3m h GLU 20 Cb 0.52 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1j3m h GLU 20 CO -0.13 0.44 -0.42 0.00 -0.73 0.00 0.00 179.01 178.16 1j3m h ALA 21 N 1.50 0.30 -0.59 2.92 0.00 -0.89 -0.85 119.26 121.64 1j3m h ALA 21 Ca 0.42 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1j3m h ALA 21 Cb 0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1j3m h ALA 21 CO -0.30 0.41 0.31 0.00 0.00 0.00 0.00 179.25 179.67 1j3m h ALA 22 N 0.58 0.76 -0.47 0.00 0.00 -0.60 -2.16 119.26 117.37 1j3m h ALA 22 Ca -0.00 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1j3m h ALA 22 Cb 1.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1j3m h ALA 22 CO 0.09 0.30 0.27 -0.07 0.00 0.00 0.00 179.25 179.84 1j3m h LEU 23 N 0.80 0.42 -1.21 0.00 3.38 -1.05 -2.82 115.31 114.83 1j3m h LEU 23 Ca 0.21 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1j3m h LEU 23 Cb 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1j3m h LEU 23 CO -0.03 0.30 0.07 0.50 0.09 0.00 0.00 178.44 179.37 1j3m h LYS 24 N 0.53 0.62 -0.12 1.13 3.64 -0.94 0.77 116.57 122.20 1j3m h LYS 24 Ca 0.19 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1j3m h LYS 24 Cb 0.04 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1j3m h LYS 24 CO -0.10 0.59 0.18 0.93 -2.27 0.00 0.00 179.45 178.77 1j3m h GLU 25 N 0.60 0.00 -0.34 1.90 5.08 -1.13 -2.76 114.58 117.93 1j3m h GLU 25 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1j3m h GLU 25 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1j3m h GLU 25 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1j3m n GLU 26 N -3.58 2.68 -0.13 2.33 -0.58 0.18 -4.96 120.64 116.58 1j3m n GLU 26 Ca 0.00 -2.01 0.00 0.00 -0.42 0.00 0.00 57.16 54.73 1j3m n GLU 26 Cb 0.28 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1j3m n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j3m n GLY 27 N 0.58 0.82 3.48 0.62 0.00 -0.94 -4.94 105.19 104.80 1j3m n GLY 27 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 1j3m n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j3m s PHE 28 N -2.08 3.11 0.25 1.61 0.08 -0.67 -4.12 117.98 116.16 1j3m s PHE 28 Ca 0.00 -0.32 0.06 0.00 0.12 0.00 0.00 56.93 56.79 1j3m s PHE 28 Cb 0.00 -2.21 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1j3m s PHE 28 CO 0.00 -0.27 0.28 0.20 -0.10 0.00 0.00 175.22 175.33 1j3m s GLY 29 N 1.41 1.34 -0.23 4.36 0.00 -0.37 -2.71 107.32 111.11 1j3m s GLY 29 Ca 0.05 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.26 1j3m s GLY 29 CO 0.04 -1.37 0.45 -0.42 0.00 0.00 0.00 173.10 171.79 1j3m s ILE 30 N -2.07 5.14 -0.21 0.90 -1.09 -1.26 -0.93 121.20 121.68 1j3m s ILE 30 Ca 0.34 0.77 0.12 0.00 -2.23 0.00 0.00 60.65 59.65 1j3m s ILE 30 Cb -0.08 -3.77 -0.21 0.00 -1.58 0.00 0.00 42.46 36.81 1j3m s ILE 30 CO 0.27 0.18 -0.04 0.18 -1.23 0.00 0.00 174.94 174.29 1j3m n LEU 31 N 4.96 1.13 -4.18 2.97 4.32 0.54 -4.99 117.00 121.74 1j3m n LEU 31 Ca -0.07 -0.05 -0.11 0.00 -0.02 0.00 0.00 56.01 55.76 1j3m n LEU 31 Cb 0.51 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 1j3m n LEU 31 CO 0.40 0.65 -0.37 0.42 -1.22 0.00 0.00 177.39 177.27 1j3m s THR 32 N -2.48 0.64 -0.16 -5.08 -4.23 -1.17 -4.98 115.64 98.19 1j3m s THR 32 Ca -0.19 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.27 1j3m s THR 32 Cb 0.07 -1.80 0.05 0.00 1.34 0.00 0.00 72.50 72.16 1j3m s THR 32 CO 0.72 -0.76 0.40 -0.70 -0.54 0.00 0.00 174.62 173.74 1j3m s GLU 33 N -3.87 0.42 -0.12 3.99 2.12 -1.26 -1.48 118.70 118.50 1j3m s GLU 33 Ca 0.15 0.67 0.01 0.00 0.36 0.00 0.00 54.97 56.16 1j3m s GLU 33 Cb 0.06 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.56 1j3m s GLU 33 CO -0.02 -0.11 -0.15 0.42 -0.54 0.00 0.00 175.26 174.86 1j3m s ILE 34 N 0.82 1.53 -0.54 -3.70 1.01 0.32 -4.99 121.20 115.65 1j3m s ILE 34 Ca -0.05 -0.64 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1j3m s ILE 34 Cb -0.06 -1.41 0.04 0.00 0.01 0.00 0.00 42.46 41.04 1j3m s ILE 34 CO -0.06 0.45 1.01 -0.62 0.00 0.00 0.00 174.94 175.72 1j3m s ASP 35 N 1.16 6.39 0.08 3.58 3.68 -1.26 -0.53 116.67 129.77 1j3m s ASP 35 Ca -0.03 -0.15 -0.15 0.00 2.13 0.00 0.00 52.55 54.35 1j3m s ASP 35 Cb -0.14 -2.47 -0.17 0.00 -1.45 0.00 0.00 42.92 38.69 1j3m s ASP 35 CO -0.05 -1.27 1.27 0.58 0.13 0.00 0.00 175.17 175.84 1j3m h VAL 36 N 6.07 1.31 0.03 1.11 2.07 -1.28 -1.73 116.25 123.82 1j3m h VAL 36 Ca -0.25 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.34 1j3m h VAL 36 Cb 1.07 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 1j3m h VAL 36 CO 1.11 0.60 -0.01 0.00 0.02 0.00 0.00 177.57 179.28 1j3m h ALA 37 N 0.52 -0.04 -0.40 1.67 0.00 -1.81 0.04 119.26 119.23 1j3m h ALA 37 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1j3m h ALA 37 Cb 1.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1j3m h ALA 37 CO 0.14 -0.52 0.07 0.00 0.00 0.00 0.00 179.25 178.94 1j3m h ALA 38 N 0.94 1.38 0.00 0.00 0.00 -1.89 -1.42 119.26 118.27 1j3m h ALA 38 Ca -0.00 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1j3m h ALA 38 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1j3m h ALA 38 CO 0.00 0.44 -1.03 1.79 0.00 0.00 0.00 179.25 180.46 1j3m h THR 39 N 0.59 1.68 -0.04 0.00 1.35 -1.10 -1.72 112.91 113.68 1j3m h THR 39 Ca 0.13 -3.40 -0.08 0.00 -0.55 0.00 0.00 66.41 62.52 1j3m h THR 39 Cb 0.26 2.83 -0.01 0.00 -1.73 0.00 0.00 68.15 69.50 1j3m h THR 39 CO 0.00 0.96 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.81 1j3m h LEU 40 N 0.00 0.07 0.26 3.87 3.38 -0.77 -1.77 115.31 120.34 1j3m h LEU 40 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1j3m h LEU 40 Cb 1.78 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1j3m h LEU 40 CO 0.13 0.41 -0.12 0.50 0.09 0.00 0.00 178.44 179.45 1j3m h LYS 41 N 0.06 -0.33 -0.85 1.13 3.64 -1.18 -0.31 116.57 118.73 1j3m h LYS 41 Ca 0.01 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1j3m h LYS 41 Cb 0.64 0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 1j3m h LYS 41 CO 0.05 -0.02 0.54 0.00 -2.27 0.00 0.00 179.45 177.75 1j3m h ALA 42 N -0.07 1.15 0.12 5.00 0.00 -1.25 0.72 119.26 124.94 1j3m h ALA 42 Ca -0.04 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1j3m h ALA 42 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1j3m h ALA 42 CO 0.06 0.33 -1.90 0.87 0.00 0.00 0.00 179.25 178.60 1j3m h LYS 43 N 1.01 0.26 0.00 0.00 1.79 -1.41 -3.42 116.57 114.80 1j3m h LYS 43 Ca 0.36 -0.44 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1j3m h LYS 43 Cb 0.10 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1j3m h LYS 43 CO -0.15 1.15 -0.59 1.28 -1.08 0.00 0.00 179.45 180.06 1j3m n LEU 44 N -3.45 0.18 -0.01 2.94 4.77 -0.15 -5.00 117.00 116.28 1j3m n LEU 44 Ca -0.28 -0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 55.36 1j3m n LEU 44 Cb 1.05 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1j3m n LEU 44 CO 0.45 0.05 -0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1j3m n GLY 45 N 1.47 0.44 3.85 -0.72 0.00 0.25 -4.99 105.19 105.49 1j3m n GLY 45 Ca 0.00 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1j3m n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3m s LEU 46 N -0.02 4.13 -0.32 0.99 1.43 -1.08 -4.91 118.68 118.90 1j3m s LEU 46 Ca 0.00 1.20 -0.02 0.00 -1.03 0.00 0.00 54.13 54.28 1j3m s LEU 46 Cb 0.00 -3.88 0.06 0.00 0.03 0.00 0.00 46.19 42.40 1j3m s LEU 46 CO 0.00 -0.13 0.04 -1.61 0.23 0.00 0.00 176.35 174.88 1j3m s GLU 47 N -2.77 2.33 0.16 1.70 8.01 -1.26 -3.05 118.70 123.82 1j3m s GLU 47 Ca 0.50 -1.38 0.07 0.00 0.01 0.00 0.00 54.97 54.18 1j3m s GLU 47 Cb -0.11 -3.26 -0.04 0.00 -4.31 0.00 0.00 34.13 26.40 1j3m s GLU 47 CO 0.19 -0.71 -0.16 0.15 0.01 0.00 0.00 175.26 174.74 1j3m s LYS 48 N 1.23 1.19 0.81 1.61 3.01 -1.26 -5.12 119.74 121.21 1j3m s LYS 48 Ca -0.02 -1.38 -0.11 0.00 -1.01 0.00 0.00 55.97 53.45 1j3m s LYS 48 Cb -0.20 -1.13 0.08 0.00 -1.01 0.00 0.00 37.83 35.57 1j3m s LYS 48 CO -0.02 0.22 1.09 -1.25 0.51 0.00 0.00 175.35 175.90 1j3m s PRO 49 N -2.91 1.95 0.14 -1.68 0.04 -1.26 -4.86 135.00 126.42 1j3m s PRO 49 Ca 0.14 0.95 -0.34 0.00 0.04 0.00 0.00 61.00 61.80 1j3m s PRO 49 Cb -0.04 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 1j3m s PRO 49 CO 0.05 -1.80 1.06 -2.30 0.04 0.00 0.00 177.00 174.05 1j3m n PRO 50 N -3.60 0.77 -3.37 0.56 -0.02 -1.26 -4.60 135.00 123.48 1j3m n PRO 50 Ca 0.08 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 1j3m n PRO 50 Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 1j3m n PRO 50 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1j3m s TYR 51 N -0.25 -1.24 0.12 6.00 5.04 -1.26 -1.09 117.35 124.67 1j3m s TYR 51 Ca 0.76 1.72 0.09 0.00 -2.44 0.00 0.00 57.07 57.20 1j3m s TYR 51 Cb -0.95 0.59 -0.04 0.00 0.35 0.00 0.00 41.96 41.91 1j3m s TYR 51 CO 0.53 -0.65 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.38 1j3m s LEU 52 N 2.82 2.60 -0.15 6.97 1.43 0.73 -0.71 118.68 132.37 1j3m s LEU 52 Ca 0.05 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1j3m s LEU 52 Cb -0.12 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1j3m s LEU 52 CO -0.19 0.18 -0.16 -0.63 0.23 0.00 0.00 176.35 175.78 1j3m s ILE 53 N -1.12 1.71 -0.06 -0.59 1.01 0.31 -1.94 121.20 120.52 1j3m s ILE 53 Ca 0.17 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1j3m s ILE 53 Cb -0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 1j3m s ILE 53 CO 0.09 0.48 -0.00 -0.76 0.00 0.00 0.00 174.94 174.75 1j3m s LEU 54 N 1.35 3.55 -0.35 2.97 1.02 -0.16 -0.52 118.68 126.54 1j3m s LEU 54 Ca 0.03 0.10 -0.07 0.00 0.02 0.00 0.00 54.13 54.21 1j3m s LEU 54 Cb -0.13 -1.87 0.04 0.00 0.02 0.00 0.00 46.19 44.24 1j3m s LEU 54 CO -0.10 0.35 0.13 -0.83 0.02 0.00 0.00 176.35 175.92 1j3m s GLY 55 N -1.07 1.87 0.13 -3.19 0.00 -0.55 -0.68 107.32 103.82 1j3m s GLY 55 Ca 0.15 -1.77 0.06 0.00 0.00 0.00 0.00 44.72 43.16 1j3m s GLY 55 CO 0.05 0.80 -0.02 0.00 0.00 0.00 0.00 173.10 173.92 1j3m s ALA 56 N 1.43 3.19 -0.18 3.20 0.00 -0.15 -0.34 121.76 128.91 1j3m s ALA 56 Ca -0.01 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.60 1j3m s ALA 56 Cb -0.20 -1.05 0.06 0.00 0.00 0.00 0.00 23.12 21.93 1j3m s ALA 56 CO 0.03 0.60 0.44 0.00 0.00 0.00 0.00 175.76 176.83 1j3m s ASN 58 N 1.13 6.33 0.33 0.00 2.47 -1.26 -1.24 114.94 122.70 1j3m s ASN 58 Ca -0.07 -0.16 0.03 0.00 0.42 0.00 0.00 52.86 53.08 1j3m s ASN 58 Cb -0.07 -2.29 0.64 0.00 -1.45 0.00 0.00 41.25 38.08 1j3m s ASN 58 CO -0.10 -0.61 1.94 -0.65 -3.72 0.00 0.00 177.10 173.97 1j3m h PRO 59 N 8.62 0.86 -0.18 0.43 0.11 -1.98 -0.95 132.00 138.91 1j3m h PRO 59 Ca -0.27 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 1j3m h PRO 59 Cb 1.11 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1j3m h PRO 59 CO 0.82 0.57 0.01 -0.97 -0.21 0.00 0.00 178.00 178.23 1j3m h ASN 60 N 0.89 0.31 -0.36 -2.05 -0.73 -1.94 0.77 115.58 112.46 1j3m h ASN 60 Ca 0.34 -0.29 -0.15 0.00 1.87 0.00 0.00 56.30 58.07 1j3m h ASN 60 Cb 0.20 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.70 1j3m h ASN 60 CO -0.12 0.52 -0.36 -0.07 -0.37 0.00 0.00 177.43 177.03 1j3m h LEU 61 N 0.09 0.96 -0.33 0.34 3.38 -1.92 -1.51 115.31 116.32 1j3m h LEU 61 Ca 0.05 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1j3m h LEU 61 Cb 0.35 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1j3m h LEU 61 CO 0.01 1.22 0.21 0.00 0.09 0.00 0.00 178.44 179.96 1j3m h ALA 62 N 0.83 0.42 -0.71 1.53 0.00 -1.11 -0.96 119.26 119.26 1j3m h ALA 62 Ca 0.07 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1j3m h ALA 62 Cb 0.95 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1j3m h ALA 62 CO 0.09 -0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.45 1j3m h ALA 63 N 1.13 1.10 -0.48 0.00 0.00 -0.65 -0.92 119.26 119.44 1j3m h ALA 63 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1j3m h ALA 63 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1j3m h ALA 63 CO -0.04 0.63 0.10 0.00 0.00 0.00 0.00 179.25 179.93 1j3m h ARG 64 N 1.04 0.77 -0.40 0.00 3.08 -1.10 -0.95 114.38 116.83 1j3m h ARG 64 Ca 0.24 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1j3m h ARG 64 Cb 0.25 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1j3m h ARG 64 CO -0.01 0.77 0.17 0.00 -1.07 0.00 0.00 179.97 179.82 1j3m h ALA 65 N 0.97 0.52 -0.18 0.04 0.00 -0.78 -2.68 119.26 117.15 1j3m h ALA 65 Ca 0.15 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1j3m h ALA 65 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1j3m h ALA 65 CO 0.00 0.11 -0.30 -0.07 0.00 0.00 0.00 179.25 179.00 1j3m h LEU 66 N 0.50 0.35 -0.12 0.00 -0.00 -1.10 -1.09 115.31 113.85 1j3m h LEU 66 Ca 0.13 -0.12 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 1j3m h LEU 66 Cb 0.18 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1j3m h LEU 66 CO -0.01 0.64 0.04 -0.08 -0.00 0.00 0.00 178.44 179.03 1j3m h GLU 67 N 0.31 0.19 -0.87 1.13 4.81 -1.11 -2.87 114.58 116.17 1j3m h GLU 67 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1j3m h GLU 67 Cb 0.68 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 1j3m h GLU 67 CO 0.05 0.34 0.55 0.00 -0.73 0.00 0.00 179.01 179.22 1j3m h ALA 68 N 0.85 1.35 -1.68 2.92 0.00 -1.32 -3.42 119.26 117.95 1j3m h ALA 68 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1j3m h ALA 68 Cb 0.23 -0.35 -0.28 0.00 0.00 0.00 0.00 17.79 17.39 1j3m h ALA 68 CO -0.00 0.59 -0.62 -1.17 0.00 0.00 0.00 179.25 178.05 1j3m s LEU 69 N -9.95 -0.48 0.48 0.00 2.96 -0.43 -5.04 118.68 106.22 1j3m s LEU 69 Ca -0.12 -1.34 0.17 0.00 -0.22 0.00 0.00 54.13 52.62 1j3m s LEU 69 Cb 0.18 0.96 1.18 0.00 0.50 0.00 0.00 46.19 49.01 1j3m s LEU 69 CO 0.80 -0.24 2.04 -0.65 -1.32 0.00 0.00 176.35 176.99 1j3m h PRO 70 N 7.06 0.20 0.00 0.98 0.11 -1.75 -0.28 132.00 138.32 1j3m h PRO 70 Ca 0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1j3m h PRO 70 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1j3m h PRO 70 CO 0.17 0.13 0.00 0.39 -0.21 0.00 0.00 178.00 178.48 1j3m n GLU 71 N -4.46 0.52 0.04 1.05 4.71 -1.26 -3.31 120.64 117.92 1j3m n GLU 71 Ca 0.06 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.32 1j3m n GLU 71 Cb 0.33 -1.50 0.44 0.00 -1.01 0.00 0.00 31.44 29.70 1j3m n GLU 71 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1j3m n ILE 72 N -1.01 0.65 0.28 -3.67 0.13 -0.12 -1.99 119.36 113.64 1j3m n ILE 72 Ca 0.12 0.11 0.18 0.00 -1.10 0.00 0.00 62.75 62.07 1j3m n ILE 72 Cb 0.06 -0.85 0.95 0.00 -0.84 0.00 0.00 39.64 38.96 1j3m n ILE 72 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1j3m h GLY 73 N 3.36 0.00 2.00 4.50 0.00 -1.78 0.58 103.07 111.72 1j3m h GLY 73 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1j3m h GLY 73 CO 0.00 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.92 1j3m h LEU 74 N 0.00 0.00 -3.16 3.11 3.38 -1.71 -2.57 115.31 114.36 1j3m h LEU 74 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1j3m h LEU 74 Cb 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1j3m h LEU 74 CO -0.00 0.03 -0.09 0.18 0.09 0.00 0.00 178.44 178.65 1j3m n LEU 75 N -3.25 3.30 -4.48 1.67 4.77 0.19 -5.00 117.00 114.19 1j3m n LEU 75 Ca -0.02 -3.35 -0.26 0.00 -0.03 0.00 0.00 56.01 52.35 1j3m n LEU 75 Cb 0.18 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1j3m n LEU 75 CO 0.25 0.93 -0.48 -0.76 -1.33 0.00 0.00 177.39 176.00 1j3m s LEU 76 N -3.01 2.63 0.00 2.23 1.43 -0.97 -4.72 118.68 116.27 1j3m s LEU 76 Ca 0.39 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1j3m s LEU 76 Cb 0.34 -1.31 0.07 0.00 0.03 0.00 0.00 46.19 45.32 1j3m s LEU 76 CO 0.03 0.10 0.43 -0.81 0.23 0.00 0.00 176.35 176.32 1j3m n PRO 77 N 0.02 -0.02 -2.42 1.29 -0.04 -1.26 -4.99 135.00 127.59 1j3m n PRO 77 Ca -0.11 -0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 62.02 1j3m n PRO 77 Cb 0.57 -0.36 -0.02 0.00 -0.04 0.00 0.00 33.50 33.64 1j3m n PRO 77 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1j3m s ASN 79 N 2.38 7.24 -0.16 0.00 0.02 -1.26 -0.97 114.94 122.19 1j3m s ASN 79 Ca 0.56 1.94 0.00 0.00 -1.02 0.00 0.00 52.86 54.34 1j3m s ASN 79 Cb -0.20 -2.59 0.03 0.00 0.02 0.00 0.00 41.25 38.52 1j3m s ASN 79 CO 0.18 -0.14 -0.10 -0.69 0.02 0.00 0.00 177.10 176.37 1j3m s VAL 80 N -1.52 1.39 -0.10 1.60 1.01 0.14 -1.32 120.40 121.60 1j3m s VAL 80 Ca 0.50 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1j3m s VAL 80 Cb -0.22 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1j3m s VAL 80 CO 0.28 0.30 0.24 -0.69 0.00 0.00 0.00 175.10 175.22 1j3m s VAL 81 N 1.54 5.34 -0.13 2.92 1.01 0.61 -0.99 120.40 130.69 1j3m s VAL 81 Ca 0.02 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1j3m s VAL 81 Cb -0.14 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1j3m s VAL 81 CO -0.09 0.56 -0.17 -0.76 0.00 0.00 0.00 175.10 174.64 1j3m s LEU 82 N -0.72 1.83 0.03 3.92 1.02 -0.82 -0.33 118.68 123.61 1j3m s LEU 82 Ca 0.17 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 53.82 1j3m s LEU 82 Cb -0.13 -1.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.83 1j3m s LEU 82 CO 0.06 0.01 -0.03 0.00 0.02 0.00 0.00 176.35 176.40 1j3m s ARG 83 N 1.13 0.40 0.19 1.70 1.70 -0.54 -0.19 118.95 123.33 1j3m s ARG 83 Ca -0.02 -0.76 -0.31 0.00 -0.47 0.00 0.00 55.73 54.16 1j3m s ARG 83 Cb -0.14 0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.24 1j3m s ARG 83 CO -0.05 -0.06 1.58 -2.00 -1.08 0.00 0.00 175.30 173.69 1j3m s GLU 84 N -2.05 4.20 0.39 3.89 2.12 -0.25 -0.93 118.70 126.08 1j3m s GLU 84 Ca -0.10 2.41 0.04 0.00 0.36 0.00 0.00 54.97 57.67 1j3m s GLU 84 Cb -0.06 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1j3m s GLU 84 CO -0.03 -0.62 0.05 0.00 -0.54 0.00 0.00 175.26 174.13 1j3m s ALA 85 N 0.99 2.96 0.12 6.30 0.00 0.19 -4.80 121.76 127.53 1j3m s ALA 85 Ca 0.70 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.81 1j3m s ALA 85 Cb -0.45 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1j3m s ALA 85 CO 0.33 -0.22 1.71 0.93 0.00 0.00 0.00 175.76 178.51 1j3m h GLU 86 N 1.84 0.01 -0.28 0.00 5.08 -2.01 -2.59 114.58 116.63 1j3m h GLU 86 Ca -0.41 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1j3m h GLU 86 Cb 1.26 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1j3m h GLU 86 CO 0.70 0.01 0.00 -0.85 -1.00 0.00 0.00 179.01 177.87 1j3m n GLU 87 N -5.18 1.83 0.00 2.33 0.28 -1.26 -5.00 120.64 113.64 1j3m n GLU 87 Ca -0.03 -1.27 0.00 0.00 -0.16 0.00 0.00 57.16 55.70 1j3m n GLU 87 Cb 0.11 -1.35 0.00 0.00 1.43 0.00 0.00 31.44 31.63 1j3m n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1j3m n GLY 88 N 1.13 0.48 3.13 -1.84 0.00 -0.98 -4.32 105.19 102.80 1j3m n GLY 88 Ca 0.15 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 1j3m n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3m s VAL 89 N 0.00 2.00 -0.13 1.61 1.01 -0.11 0.57 120.40 125.35 1j3m s VAL 89 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1j3m s VAL 89 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 1j3m s VAL 89 CO 0.00 0.54 0.55 -0.70 0.00 0.00 0.00 175.10 175.49 1j3m s GLU 90 N 1.07 4.33 -0.18 2.72 2.12 -0.11 -0.17 118.70 128.48 1j3m s GLU 90 Ca -0.01 0.57 -0.05 0.00 0.36 0.00 0.00 54.97 55.84 1j3m s GLU 90 Cb -0.14 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.74 1j3m s GLU 90 CO -0.07 0.04 -0.00 0.08 -0.54 0.00 0.00 175.26 174.77 1j3m s VAL 91 N 0.97 4.14 -0.04 3.70 1.01 0.11 -1.46 120.40 128.82 1j3m s VAL 91 Ca 0.29 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1j3m s VAL 91 Cb -0.16 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 1j3m s VAL 91 CO 0.12 0.46 -0.14 -0.76 0.00 0.00 0.00 175.10 174.78 1j3m s LEU 92 N 0.56 1.86 -0.08 3.92 1.02 0.55 -1.45 118.68 125.07 1j3m s LEU 92 Ca -0.01 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 53.88 1j3m s LEU 92 Cb -0.14 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.23 1j3m s LEU 92 CO 0.02 0.12 -0.19 -0.63 0.02 0.00 0.00 176.35 175.69 1j3m s ILE 93 N 0.12 1.65 0.23 -0.59 1.01 -0.56 -0.28 121.20 122.78 1j3m s ILE 93 Ca -0.04 -0.79 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 1j3m s ILE 93 Cb -0.11 -1.44 -0.11 0.00 0.01 0.00 0.00 42.46 40.81 1j3m s ILE 93 CO 0.02 0.47 1.57 -1.58 0.00 0.00 0.00 174.94 175.42 1j3m s GLN 94 N 0.40 4.19 -0.26 2.79 0.74 -0.43 -4.21 119.66 122.87 1j3m s GLN 94 Ca -0.15 2.45 -0.17 0.00 0.05 0.00 0.00 55.36 57.54 1j3m s GLN 94 Cb -0.16 -3.09 -0.03 0.00 1.10 0.00 0.00 33.01 30.82 1j3m s GLN 94 CO 0.06 -0.59 0.48 0.34 -0.55 0.00 0.00 175.29 175.02 1j3m s ASP 95 N 0.78 6.39 0.37 6.67 3.68 -1.26 -4.85 116.67 128.45 1j3m s ASP 95 Ca 0.66 0.46 0.04 0.00 2.13 0.00 0.00 52.55 55.85 1j3m s ASP 95 Cb -0.45 -2.26 0.71 0.00 -1.45 0.00 0.00 42.92 39.46 1j3m s ASP 95 CO 0.39 -0.26 2.01 -0.65 0.13 0.00 0.00 175.17 176.80 1j3m h PRO 96 N 8.04 0.71 -0.34 4.34 0.11 -1.94 -1.56 132.00 141.35 1j3m h PRO 96 Ca -0.30 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1j3m h PRO 96 Cb 1.15 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1j3m h PRO 96 CO 0.70 0.49 0.20 -0.22 -0.21 0.00 0.00 178.00 178.96 1j3m h LYS 97 N 0.72 0.47 -0.64 1.05 3.64 -1.93 -1.23 116.57 118.64 1j3m h LYS 97 Ca 0.19 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1j3m h LYS 97 Cb -0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1j3m h LYS 97 CO -0.04 0.36 0.08 0.93 -2.27 0.00 0.00 179.45 178.52 1j3m h GLU 98 N 0.44 1.07 0.00 1.90 5.08 -1.84 -3.18 114.58 118.05 1j3m h GLU 98 Ca 0.12 -0.29 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 1j3m h GLU 98 Cb 0.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1j3m h GLU 98 CO -0.02 1.00 -0.65 0.52 -1.00 0.00 0.00 179.01 178.85 1j3m h MET 99 N 1.00 0.00 0.00 2.33 2.86 -1.01 -2.29 114.93 117.83 1j3m h MET 99 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1j3m h MET 99 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1j3m h MET 99 CO 0.02 0.65 0.00 1.19 1.06 0.00 0.00 176.91 179.83 1j3m n PHE 100 N -3.63 0.00 0.41 -0.22 0.99 -0.49 -3.11 117.46 111.41 1j3m n PHE 100 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.52 1j3m n PHE 100 Cb 0.67 -0.45 0.34 0.00 -1.00 0.00 0.00 39.48 39.05 1j3m n PHE 100 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1j3m n ARG 101 N -1.45 0.06 0.14 -1.08 1.74 -0.86 -0.66 116.66 114.55 1j3m n ARG 101 Ca 0.06 0.33 0.12 0.00 -0.77 0.00 0.00 57.85 57.59 1j3m n ARG 101 Cb 0.22 -1.62 0.51 0.00 -1.02 0.00 0.00 32.46 30.55 1j3m n ARG 101 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1j3m n VAL 102 N -1.73 0.89 -2.87 1.55 0.24 -1.18 -4.82 118.33 110.41 1j3m n VAL 102 Ca 0.03 0.35 -0.27 0.00 -2.04 0.00 0.00 64.34 62.41 1j3m n VAL 102 Cb 0.17 -1.30 -0.01 0.00 -1.47 0.00 0.00 33.84 31.23 1j3m n VAL 102 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1j3m s LEU 103 N -4.47 3.77 0.59 1.34 1.43 0.17 -5.05 118.68 116.45 1j3m s LEU 103 Ca 0.03 0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 1j3m s LEU 103 Cb 0.08 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1j3m s LEU 103 CO 0.34 -0.47 0.85 -2.65 0.23 0.00 0.00 176.35 174.65 1j3m n PRO 104 N -1.93 0.79 -0.27 1.29 -0.02 -1.26 -4.74 135.00 128.86 1j3m n PRO 104 Ca -0.00 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 1j3m n PRO 104 Cb 0.55 -2.04 0.28 0.00 -0.02 0.00 0.00 33.50 32.27 1j3m n PRO 104 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1j3m h GLU 105 N 0.43 0.91 -0.10 -0.52 4.11 -1.94 -0.57 114.58 116.89 1j3m h GLU 105 Ca -0.48 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 58.83 1j3m h GLU 105 Cb 1.37 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1j3m h GLU 105 CO 0.50 0.60 -0.25 0.00 0.07 0.00 0.00 179.01 179.93 1j3m h ALA 106 N 1.54 1.39 -0.01 1.06 0.00 -2.00 -0.92 119.26 120.33 1j3m h ALA 106 Ca 0.37 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1j3m h ALA 106 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j3m h ALA 106 CO -0.14 0.43 -0.89 1.79 0.00 0.00 0.00 179.25 180.44 1j3m h THR 107 N 0.17 1.43 -0.70 0.00 1.35 -1.47 -1.41 112.91 112.27 1j3m h THR 107 Ca 0.03 -2.46 -0.04 0.00 -0.55 0.00 0.00 66.41 63.40 1j3m h THR 107 Cb 0.53 2.39 -0.03 0.00 -1.73 0.00 0.00 68.15 69.31 1j3m h THR 107 CO 0.04 0.73 0.30 1.56 -0.25 0.00 0.00 175.52 177.90 1j3m h GLN 108 N 0.20 1.04 -0.98 4.72 4.20 -0.98 -0.48 115.11 122.83 1j3m h GLN 108 Ca -0.06 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.49 1j3m h GLN 108 Cb 1.51 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 1j3m h GLN 108 CO 0.15 0.84 0.65 0.00 -0.67 0.00 0.00 178.83 179.80 1j3m h ARG 109 N 1.00 1.28 0.00 1.46 3.08 -1.01 -0.62 114.38 119.56 1j3m h ARG 109 Ca 0.24 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1j3m h ARG 109 Cb 0.18 -0.29 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1j3m h ARG 109 CO -0.02 0.84 -0.32 0.00 -1.07 0.00 0.00 179.97 179.40 1j3m h ALA 110 N 1.37 1.25 -0.02 0.04 0.00 -0.55 -2.98 119.26 118.37 1j3m h ALA 110 Ca 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3m h ALA 110 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1j3m h ALA 110 CO -0.09 0.40 -0.44 1.28 0.00 0.00 0.00 179.25 180.41 1j3m n LEU 111 N -3.84 2.09 -0.24 0.00 4.77 -0.25 -4.62 117.00 114.89 1j3m n LEU 111 Ca -0.01 -0.77 0.01 0.00 -0.03 0.00 0.00 56.01 55.21 1j3m n LEU 111 Cb 0.40 -0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.63 1j3m n LEU 111 CO 0.36 0.38 1.06 0.00 -1.33 0.00 0.00 177.39 177.87 1j3m h ALA 112 N 3.95 0.98 -0.65 -1.18 0.00 -0.96 -1.78 119.26 119.62 1j3m h ALA 112 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1j3m h ALA 112 Cb 0.77 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1j3m h ALA 112 CO 0.00 -0.06 0.35 -1.35 0.00 0.00 0.00 179.25 178.20 1j3m h PRO 113 N 0.59 0.90 -0.15 0.00 0.11 -1.82 -0.53 132.00 131.11 1j3m h PRO 113 Ca 0.35 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.28 1j3m h PRO 113 Cb 0.38 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1j3m h PRO 113 CO -0.27 0.66 -0.24 0.28 -0.21 0.00 0.00 178.00 178.22 1j3m h VAL 114 N 0.91 1.36 -0.77 3.15 2.07 -1.70 -2.33 116.25 118.94 1j3m h VAL 114 Ca 0.23 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1j3m h VAL 114 Cb 0.03 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1j3m h VAL 114 CO -0.04 0.44 0.48 0.00 0.02 0.00 0.00 177.57 178.47 1j3m h ALA 115 N 0.57 1.40 -0.13 1.67 0.00 -1.11 0.65 119.26 122.30 1j3m h ALA 115 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1j3m h ALA 115 Cb 0.81 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1j3m h ALA 115 CO 0.05 0.53 0.01 0.93 0.00 0.00 0.00 179.25 180.78 1j3m h GLU 116 N 1.06 0.23 0.02 0.00 4.39 -1.06 0.22 114.58 119.44 1j3m h GLU 116 Ca 0.28 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.92 1j3m h GLU 116 Cb -0.07 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1j3m h GLU 116 CO -0.06 0.45 -0.07 1.49 -1.16 0.00 0.00 179.01 179.66 1j3m h GLU 117 N -0.02 -0.13 -0.34 2.33 4.57 -1.24 -0.26 114.58 119.49 1j3m h GLU 117 Ca 0.04 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 1j3m h GLU 117 Cb 0.34 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.91 1j3m h GLU 117 CO 0.01 -0.09 0.04 0.00 -1.18 0.00 0.00 179.01 177.79 1j3m h ALA 118 N 0.83 0.34 -0.80 2.92 0.00 -0.79 -1.98 119.26 119.79 1j3m h ALA 118 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1j3m h ALA 118 Cb 0.16 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1j3m h ALA 118 CO -0.06 -0.36 0.40 -0.09 0.00 0.00 0.00 179.25 179.14 1j3m h ARG 119 N 0.15 1.13 -0.57 0.00 2.43 -0.34 -0.91 114.38 116.27 1j3m h ARG 119 Ca 0.17 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1j3m h ARG 119 Cb 0.20 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1j3m h ARG 119 CO -0.24 0.87 0.24 1.15 -1.51 0.00 0.00 179.97 180.48 1j3m h THR 120 N 1.12 1.22 -0.52 0.20 2.02 -0.80 0.37 112.91 116.52 1j3m h THR 120 Ca 0.28 -0.67 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1j3m h THR 120 Cb 0.09 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1j3m h THR 120 CO -0.04 0.26 0.10 0.03 0.37 0.00 0.00 175.52 176.24 1j3m h ARG 121 N 0.79 0.81 -0.10 6.66 3.08 -1.09 -1.62 114.38 122.91 1j3m h ARG 121 Ca 0.19 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1j3m h ARG 121 Cb 0.18 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1j3m h ARG 121 CO -0.02 0.75 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.05 1j3m h LEU 122 N 0.77 0.62 -0.80 3.04 3.38 -0.83 -1.86 115.31 119.63 1j3m h LEU 122 Ca 0.17 -0.65 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1j3m h LEU 122 Cb 0.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1j3m h LEU 122 CO 0.00 1.16 -0.05 0.77 0.09 0.00 0.00 178.44 180.42 1j3m h SER 123 N 0.11 0.84 -0.48 -0.43 4.64 -0.88 -1.72 113.55 115.63 1j3m h SER 123 Ca -0.04 -0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.13 1j3m h SER 123 Cb 1.15 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.96 1j3m h SER 123 CO 0.10 0.93 0.10 0.03 -0.87 0.00 0.00 176.83 177.12 1j3m h ARG 124 N 0.79 0.23 -0.40 4.77 3.08 -1.29 0.17 114.38 121.72 1j3m h ARG 124 Ca 0.14 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1j3m h ARG 124 Cb 0.54 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1j3m h ARG 124 CO 0.03 0.15 0.26 0.00 -1.07 0.00 0.00 179.97 179.35 1j3m h ALA 125 N 1.36 0.51 -0.39 0.04 0.00 -0.75 -2.81 119.26 117.23 1j3m h ALA 125 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1j3m h ALA 125 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1j3m h ALA 125 CO -0.30 -0.04 0.19 1.25 0.00 0.00 0.00 179.25 180.35 1j3m h LEU 126 N 0.54 0.51 -2.33 0.00 6.46 -1.06 -1.58 115.31 117.85 1j3m h LEU 126 Ca 0.15 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1j3m h LEU 126 Cb -0.06 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.74 1j3m h LEU 126 CO -0.04 0.49 0.01 0.77 -0.62 0.00 0.00 178.44 179.05 1j3m h SER 127 N 0.49 0.00 0.28 1.25 4.64 -0.82 -2.31 113.55 117.08 1j3m h SER 127 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1j3m h SER 127 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1j3m h SER 127 CO -0.02 0.00 -0.94 0.54 -0.87 0.00 0.00 176.83 175.54 1j3m n ARG 128 N -2.74 0.14 0.00 4.77 1.74 -0.60 -5.09 116.66 114.88 1j3m n ARG 128 Ca -0.02 -0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.13 1j3m n ARG 128 Cb 0.06 -1.53 0.53 0.00 -1.02 0.00 0.00 32.46 30.50 1j3m n ARG 128 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39