#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jww n MET 2 N 0.00 -1.44 -0.07 1.43 0.00 -1.26 -4.94 117.12 110.84 2jww n MET 2 Ca 0.00 0.93 -0.11 0.00 0.00 0.00 0.00 57.70 58.52 2jww n MET 2 Cb 0.00 -4.51 -0.05 0.00 0.00 0.00 0.00 33.22 28.65 2jww n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jww n THR 3 N -2.90 0.73 0.33 1.12 -1.04 -1.26 -3.79 114.28 107.48 2jww n THR 3 Ca -0.11 -0.24 0.15 0.00 -2.04 0.00 0.00 64.05 61.81 2jww n THR 3 Cb 0.58 -1.24 0.63 0.00 -1.82 0.00 0.00 70.33 68.48 2jww n THR 3 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jww h ASP 4 N -0.19 0.00 0.00 8.00 5.19 -2.00 -3.38 116.42 124.04 2jww h ASP 4 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2jww h ASP 4 Cb 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 2jww h ASP 4 CO -0.11 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.19 2jww n LEU 5 N -2.68 0.00 -4.79 1.55 4.77 -1.26 -5.01 117.00 109.58 2jww n LEU 5 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.60 2jww n LEU 5 Cb 0.25 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 2jww n LEU 5 CO 0.23 -0.46 0.45 -0.76 -1.33 0.00 0.00 177.39 175.52 2jww s LEU 6 N -4.81 4.54 -0.32 2.23 1.43 -1.25 -4.82 118.68 115.67 2jww s LEU 6 Ca 0.00 1.57 -0.34 0.00 -1.03 0.00 0.00 54.13 54.33 2jww s LEU 6 Cb 0.00 -3.33 -0.10 0.00 0.03 0.00 0.00 46.19 42.79 2jww s LEU 6 CO 0.00 0.18 2.19 -1.54 0.23 0.00 0.00 176.35 177.41 2jww n SER 7 N 1.42 2.35 -0.15 2.29 3.41 -1.26 -4.00 113.62 117.68 2jww n SER 7 Ca -0.05 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 58.85 2jww n SER 7 Cb 0.49 -1.32 -0.00 0.00 -0.26 0.00 0.00 64.21 63.12 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 8 N 12.81 0.57 -0.45 7.33 0.00 -1.75 -1.78 119.26 135.99 2jww h ALA 8 Ca -0.30 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2jww h ALA 8 Cb 1.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2jww h ALA 8 CO 1.01 0.22 -0.10 1.05 0.00 0.00 0.00 179.25 181.42 2jww h GLU 9 N 0.57 0.87 0.01 0.00 4.11 -1.95 -2.37 114.58 115.82 2jww h GLU 9 Ca 0.14 -0.33 0.02 0.00 0.07 0.00 0.00 59.36 59.27 2jww h GLU 9 Cb 0.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2jww h GLU 9 CO -0.00 0.97 -0.17 0.22 0.07 0.00 0.00 179.01 180.10 2jww h ASP 10 N 0.71 -0.48 0.14 3.06 3.58 -1.77 0.98 116.42 122.62 2jww h ASP 10 Ca 0.12 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.65 2jww h ASP 10 Cb 0.64 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.87 2jww h ASP 10 CO 0.04 -0.23 -0.21 0.40 -2.88 0.00 0.00 179.24 176.36 2jww h ILE 11 N -0.28 0.52 -0.48 2.25 2.04 -0.67 1.27 117.51 122.17 2jww h ILE 11 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2jww h ILE 11 Cb 0.34 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 2jww h ILE 11 CO -0.15 0.00 0.30 0.50 0.00 0.00 0.00 178.15 178.80 2jww h LYS 12 N -0.42 0.64 0.20 2.37 3.64 -1.16 0.74 116.57 122.57 2jww h LYS 12 Ca 0.02 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2jww h LYS 12 Cb 0.43 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2jww h LYS 12 CO -0.10 0.45 -0.10 0.87 -2.27 0.00 0.00 179.45 178.30 2jww h LYS 13 N 0.64 -0.26 -0.37 1.90 1.57 0.14 -2.50 116.57 117.69 2jww h LYS 13 Ca 0.17 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 2jww h LYS 13 Cb -0.04 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2jww h LYS 13 CO -0.03 -0.02 0.01 0.00 -0.57 0.00 0.00 179.45 178.84 2jww h ALA 14 N 0.29 0.50 -0.38 3.86 0.00 0.17 1.15 119.26 124.86 2jww h ALA 14 Ca -0.03 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.70 2jww h ALA 14 Cb 0.36 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2jww h ALA 14 CO 0.04 0.26 0.03 0.82 0.00 0.00 0.00 179.25 180.40 2jww h ILE 15 N 0.47 0.75 -0.00 0.00 2.04 0.47 -2.71 117.51 118.53 2jww h ILE 15 Ca 0.11 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2jww h ILE 15 Cb 0.45 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2jww h ILE 15 CO 0.02 0.02 -0.71 0.61 0.00 0.00 0.00 178.15 178.10 2jww n GLY 16 N -1.25 -0.97 0.31 5.37 0.00 -0.94 -4.08 105.19 103.63 2jww n GLY 16 Ca 0.02 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww h ALA 17 N 3.13 -0.74 -2.10 4.61 0.00 0.17 -3.39 119.26 120.95 2jww h ALA 17 Ca 0.00 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 2jww h ALA 17 Cb 0.52 0.29 -0.40 0.00 0.00 0.00 0.00 17.79 18.20 2jww h ALA 17 CO 0.00 -0.79 -0.95 1.97 0.00 0.00 0.00 179.25 179.48 2jww n PHE 18 N -5.32 0.76 -0.49 0.00 -1.74 -1.21 -4.95 117.46 104.51 2jww n PHE 18 Ca -0.11 -3.72 0.40 0.00 -0.56 0.00 0.00 57.45 53.45 2jww n PHE 18 Cb 0.33 -0.38 0.69 0.00 1.52 0.00 0.00 39.48 41.64 2jww n PHE 18 CO 0.00 0.00 0.00 1.79 -0.56 0.00 0.00 176.76 177.99 2jww h THR 19 N 2.53 0.10 -0.83 1.97 1.35 -1.78 0.82 112.91 117.08 2jww h THR 19 Ca 0.12 -0.02 0.18 0.00 -0.55 0.00 0.00 66.41 66.14 2jww h THR 19 Cb 0.82 0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.16 2jww h THR 19 CO 0.56 0.01 0.33 0.00 -0.25 0.00 0.00 175.52 176.17 2jww h ALA 20 N 1.49 1.23 -0.06 6.62 0.00 -1.93 0.87 119.26 127.49 2jww h ALA 20 Ca 0.84 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.91 2jww h ALA 20 Cb 2.81 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.70 2jww h ALA 20 CO -0.34 -0.28 -0.27 0.00 0.00 0.00 0.00 179.25 178.36 2jww h ALA 21 N 1.64 -0.68 0.00 0.00 0.00 0.40 0.30 119.26 120.93 2jww h ALA 21 Ca 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.35 2jww h ALA 21 Cb 0.84 0.79 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2jww h ALA 21 CO -0.48 -0.77 -0.05 0.22 0.00 0.00 0.00 179.25 178.17 2jww h ASP 22 N -0.30 0.00 0.36 0.00 1.82 -1.48 1.05 116.42 117.88 2jww h ASP 22 Ca 0.01 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.64 2jww h ASP 22 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2jww h ASP 22 CO -0.21 0.05 -0.18 -1.28 -1.61 0.00 0.00 179.24 176.01 2jww h SER 23 N 0.00 -0.41 0.05 2.28 0.87 0.40 -3.36 113.55 113.38 2jww h SER 23 Ca -0.00 -0.04 -0.38 0.00 -1.23 0.00 0.00 61.79 60.14 2jww h SER 23 Cb 0.25 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 2jww h SER 23 CO 0.01 -0.23 -2.22 2.22 -0.53 0.00 0.00 176.83 176.08 2jww n PHE 24 N -5.26 0.58 -3.31 2.24 1.16 0.73 -4.77 117.46 108.82 2jww n PHE 24 Ca -0.10 0.13 -0.07 0.00 -1.87 0.00 0.00 57.45 55.53 2jww n PHE 24 Cb 0.24 -1.07 -0.07 0.00 -1.61 0.00 0.00 39.48 36.97 2jww n PHE 24 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jww s ASP 25 N -6.82 0.06 0.24 5.98 1.11 0.36 -4.77 116.67 112.83 2jww s ASP 25 Ca -0.30 0.17 0.23 0.00 0.18 0.00 0.00 52.55 52.84 2jww s ASP 25 Cb 0.08 1.25 0.96 0.00 1.07 0.00 0.00 42.92 46.28 2jww s ASP 25 CO 0.66 -0.31 1.69 1.57 1.18 0.00 0.00 175.17 179.97 2jww n HIS 26 N 5.37 0.75 -0.12 4.23 -0.00 -1.16 -3.11 115.22 121.18 2jww n HIS 26 Ca -0.02 0.30 -0.05 0.00 -0.00 0.00 0.00 57.72 57.94 2jww n HIS 26 Cb 0.50 -0.98 0.01 0.00 -0.00 0.00 0.00 29.99 29.53 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 2jww h LYS 27 N 0.00 -0.08 -0.59 1.57 1.79 -1.92 1.41 116.57 118.75 2jww h LYS 27 Ca 0.00 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jww h LYS 27 Cb 0.35 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.99 2jww h LYS 27 CO 0.00 -0.05 0.38 -0.22 -1.08 0.00 0.00 179.45 178.48 2jww h LYS 28 N -0.08 0.76 -0.79 3.15 1.63 -1.87 -0.04 116.57 119.33 2jww h LYS 28 Ca 0.20 -0.05 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 2jww h LYS 28 Cb 0.38 -0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 2jww h LYS 28 CO -0.46 0.50 0.52 0.35 -3.45 0.00 0.00 179.45 176.91 2jww h PHE 29 N 0.78 0.85 -0.63 1.91 3.57 -0.81 0.16 116.94 122.78 2jww h PHE 29 Ca 0.22 0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.92 2jww h PHE 29 Cb -0.07 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.37 2jww h PHE 29 CO -0.04 0.44 0.51 0.35 -2.23 0.00 0.00 178.31 177.34 2jww h PHE 30 N 0.83 0.00 0.02 0.41 3.04 0.37 1.40 116.94 123.01 2jww h PHE 30 Ca 0.34 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 62.19 2jww h PHE 30 Cb 0.27 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 2jww h PHE 30 CO -0.00 0.00 -0.54 1.96 -2.02 0.00 0.00 178.31 177.71 2jww h GLN 31 N 0.00 0.04 0.00 1.11 4.20 -0.57 -2.94 115.11 116.95 2jww h GLN 31 Ca 0.30 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.84 2jww h GLN 31 Cb 1.31 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 2jww h GLN 31 CO -0.00 1.04 -0.45 0.52 -0.67 0.00 0.00 178.83 179.26 2jww h MET 32 N -0.89 0.00 0.00 1.46 2.86 -0.67 -2.97 114.93 114.72 2jww h MET 32 Ca -0.14 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.45 2jww h MET 32 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 2jww h MET 32 CO -0.04 0.45 -0.26 -0.24 1.06 0.00 0.00 176.91 177.87 2jww h VAL 33 N 0.00 0.69 0.00 -2.22 3.04 0.17 -3.40 116.25 114.52 2jww h VAL 33 Ca -0.00 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.52 2jww h VAL 33 Cb 0.93 1.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2jww h VAL 33 CO 0.06 0.26 0.00 0.61 -1.01 0.00 0.00 177.57 177.49 2jww n GLY 34 N 0.03 0.69 0.19 3.17 0.00 -1.12 -1.97 105.19 106.18 2jww n GLY 34 Ca -0.00 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.48 2jww n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jww h LEU 35 N 0.00 0.00 -0.46 0.99 3.38 -1.77 -1.92 115.31 115.53 2jww h LEU 35 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jww h LEU 35 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2jww h LEU 35 CO 0.00 0.38 0.00 0.29 0.09 0.00 0.00 178.44 179.20 2jww n LYS 36 N -3.65 1.30 0.03 1.13 5.02 -1.24 -4.19 118.16 116.55 2jww n LYS 36 Ca -0.01 -0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 55.72 2jww n LYS 36 Cb 0.48 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 34.18 2jww n LYS 36 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2jww h LYS 37 N 0.85 -0.43 0.00 1.97 3.64 -1.69 -3.45 116.57 117.46 2jww h LYS 37 Ca 0.00 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.20 2jww h LYS 37 Cb 0.19 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2jww h LYS 37 CO 0.00 -0.28 -0.16 1.63 -2.27 0.00 0.00 179.45 178.37 2jww n LYS 38 N -5.41 1.25 -0.49 1.90 5.02 -1.26 -5.14 118.16 114.03 2jww n LYS 38 Ca -0.04 -1.21 -0.28 0.00 -2.02 0.00 0.00 58.31 54.76 2jww n LYS 38 Cb 0.33 0.46 0.22 0.00 -0.02 0.00 0.00 35.03 36.02 2jww n LYS 38 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jww n SER 39 N -1.44 -2.79 0.30 4.39 7.64 -1.26 -4.81 113.62 115.65 2jww n SER 39 Ca -0.05 -0.37 0.19 0.00 1.01 0.00 0.00 58.87 59.65 2jww n SER 39 Cb 0.21 -0.99 0.84 0.00 -1.01 0.00 0.00 64.21 63.26 2jww n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 40 N -2.71 1.01 -0.42 -0.43 0.00 -1.91 -2.87 119.26 111.92 2jww h ALA 40 Ca -0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2jww h ALA 40 Cb 1.23 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2jww h ALA 40 CO 0.33 0.01 0.17 -0.44 0.00 0.00 0.00 179.25 179.32 2jww h ASP 41 N 0.00 0.57 0.25 0.00 5.19 -1.96 0.26 116.42 120.73 2jww h ASP 41 Ca -0.00 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2jww h ASP 41 Cb 0.37 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2jww h ASP 41 CO 0.00 0.58 -0.12 0.44 -3.12 0.00 0.00 179.24 177.02 2jww h ASP 42 N 0.53 -0.28 -0.75 6.45 5.19 -1.83 -2.58 116.42 123.15 2jww h ASP 42 Ca 0.14 -0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 2jww h ASP 42 Cb 0.18 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.72 2jww h ASP 42 CO -0.01 -0.15 0.44 -0.37 -3.12 0.00 0.00 179.24 176.02 2jww h VAL 43 N -0.38 1.22 -0.76 -1.35 -1.51 -1.58 -2.21 116.25 109.68 2jww h VAL 43 Ca -0.03 -0.49 0.22 0.00 -1.23 0.00 0.00 66.70 65.16 2jww h VAL 43 Cb 0.29 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 29.61 2jww h VAL 43 CO 0.06 0.23 0.54 0.50 -1.23 0.00 0.00 177.57 177.67 2jww h LYS 44 N 1.02 0.02 -0.50 5.19 3.64 -0.24 -1.38 116.57 124.33 2jww h LYS 44 Ca 0.27 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2jww h LYS 44 Cb -0.02 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 2jww h LYS 44 CO -0.05 0.02 0.30 0.87 -2.27 0.00 0.00 179.45 178.32 2jww h LYS 45 N 0.03 0.59 0.00 1.90 6.56 -1.00 0.65 116.57 125.29 2jww h LYS 45 Ca 0.36 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.90 2jww h LYS 45 Cb 1.42 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2jww h LYS 45 CO -0.01 0.39 -0.10 -0.24 -2.06 0.00 0.00 179.45 177.43 2jww h VAL 46 N 0.61 0.81 -0.05 0.50 3.04 -1.38 -0.99 116.25 118.79 2jww h VAL 46 Ca 0.20 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2jww h VAL 46 Cb 0.01 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jww h VAL 46 CO -0.09 0.09 -0.01 0.15 -1.01 0.00 0.00 177.57 176.71 2jww h PHE 47 N 0.00 0.06 -0.02 3.17 3.57 -0.84 0.30 116.94 123.19 2jww h PHE 47 Ca -0.00 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 2jww h PHE 47 Cb 0.20 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2jww h PHE 47 CO 0.00 0.08 -0.62 1.25 -2.23 0.00 0.00 178.31 176.79 2jww h HIS 48 N 0.07 0.08 -0.11 0.41 2.76 -1.03 1.54 115.15 118.87 2jww h HIS 48 Ca 0.02 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2jww h HIS 48 Cb 0.06 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.00 2jww h HIS 48 CO 0.00 0.67 0.03 0.82 -1.30 0.00 0.00 177.93 178.14 2jww h ILE 49 N 0.05 1.19 0.09 6.26 1.08 -0.94 -2.51 117.51 122.74 2jww h ILE 49 Ca -0.01 -0.60 -0.31 0.00 -0.39 0.00 0.00 64.86 63.56 2jww h ILE 49 Cb 1.11 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 2jww h ILE 49 CO 0.08 0.17 -1.63 0.17 -0.69 0.00 0.00 178.15 176.25 2jww h LEU 50 N -0.03 0.30 -5.14 1.44 8.10 -1.33 -3.38 115.31 115.27 2jww h LEU 50 Ca 0.03 -0.49 -0.72 0.00 0.11 0.00 0.00 57.88 56.81 2jww h LEU 50 Cb 0.25 -0.10 -0.32 0.00 -0.44 0.00 0.00 40.66 40.05 2jww h LEU 50 CO 0.00 1.42 0.49 -0.67 -4.11 0.00 0.00 178.44 175.57 2jww n ASP 51 N -3.37 6.58 0.09 0.17 -0.08 0.53 -4.78 116.55 115.68 2jww n ASP 51 Ca -0.19 -3.77 -0.12 0.00 -1.51 0.00 0.00 54.79 49.20 2jww n ASP 51 Cb 1.04 -0.90 -0.08 0.00 2.34 0.00 0.00 41.12 43.52 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2jww h LYS 52 N 3.12 -0.27 -0.12 -0.67 -0.00 -1.62 -3.37 116.57 113.65 2jww h LYS 52 Ca 0.46 0.02 -0.03 0.00 -0.00 0.00 0.00 60.65 61.10 2jww h LYS 52 Cb 0.33 0.06 -0.02 0.00 -0.00 0.00 0.00 32.23 32.60 2jww h LYS 52 CO 1.20 0.12 -0.10 -0.40 -0.00 0.00 0.00 179.45 180.27 2jww n ASP 53 N -4.99 2.65 -0.17 7.07 5.68 -1.26 -4.64 116.55 120.89 2jww n ASP 53 Ca -0.08 -3.32 0.15 0.00 -0.50 0.00 0.00 54.79 51.04 2jww n ASP 53 Cb 0.26 -0.51 0.72 0.00 -1.14 0.00 0.00 41.12 40.45 2jww n ASP 53 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2jww n LYS 54 N -1.10 1.09 -0.86 0.11 3.00 -1.26 -4.90 118.16 114.24 2jww n LYS 54 Ca 0.21 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.17 2jww n LYS 54 Cb 0.77 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.31 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2jww n SER 55 N -0.65 -2.58 0.00 3.14 2.88 -1.26 -3.68 113.62 111.47 2jww n SER 55 Ca 0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2jww n SER 55 Cb 0.23 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jww n GLY 56 N -2.86 2.55 3.01 0.46 0.00 -1.26 -4.98 105.19 102.10 2jww n GLY 56 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2jww n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jww s PHE 57 N -2.33 1.54 -0.06 1.61 0.40 -1.24 -3.05 117.98 114.85 2jww s PHE 57 Ca 0.00 -0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 55.67 2jww s PHE 57 Cb 0.00 -1.15 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 2jww s PHE 57 CO 0.00 -0.35 0.07 0.42 0.70 0.00 0.00 175.22 176.06 2jww s ILE 58 N 0.90 4.78 -0.06 0.64 1.01 -0.88 -4.89 121.20 122.71 2jww s ILE 58 Ca -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 2jww s ILE 58 Cb -0.15 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2jww s ILE 58 CO 0.01 0.50 0.06 -1.61 0.00 0.00 0.00 174.94 173.90 2jww s GLU 59 N -1.27 3.09 0.49 2.79 2.02 -1.26 -3.59 118.70 120.97 2jww s GLU 59 Ca 0.18 -0.40 0.44 0.00 0.02 0.00 0.00 54.97 55.21 2jww s GLU 59 Cb -0.12 -2.89 1.55 0.00 0.10 0.00 0.00 34.13 32.78 2jww s GLU 59 CO 0.08 0.69 1.42 -0.85 0.02 0.00 0.00 175.26 176.62 2jww n GLU 60 N 1.69 -0.01 0.04 1.61 0.28 -1.26 0.17 120.64 123.16 2jww n GLU 60 Ca -0.16 1.01 -0.13 0.00 -0.16 0.00 0.00 57.16 57.72 2jww n GLU 60 Cb 0.53 -2.28 -0.09 0.00 1.43 0.00 0.00 31.44 31.03 2jww n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jww h ASP 61 N 0.00 -0.11 0.98 -1.84 3.32 -1.98 -3.19 116.42 113.60 2jww h ASP 61 Ca 0.85 -0.37 -0.17 0.00 0.02 0.00 0.00 57.03 57.36 2jww h ASP 61 Cb 3.33 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 42.88 2jww h ASP 61 CO -0.08 0.34 -1.09 -0.33 -1.72 0.00 0.00 179.24 176.36 2jww h GLU 62 N -0.59 0.00 -0.67 3.56 3.07 -0.61 -3.36 114.58 115.98 2jww h GLU 62 Ca -0.01 0.00 0.14 0.00 -0.50 0.00 0.00 59.36 58.98 2jww h GLU 62 Cb 0.48 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.26 2jww h GLU 62 CO 0.02 0.50 -0.15 -0.07 -1.40 0.00 0.00 179.01 177.91 2jww h LEU 63 N 0.00 -0.59 -1.37 1.33 3.38 0.17 1.33 115.31 119.55 2jww h LEU 63 Ca -0.10 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2jww h LEU 63 Cb 1.61 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2jww h LEU 63 CO 0.07 -0.22 -0.27 1.23 0.09 0.00 0.00 178.44 179.34 2jww h GLY 64 N 0.01 0.00 0.00 0.83 0.00 -1.69 -0.64 103.07 101.58 2jww h GLY 64 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2jww h GLY 64 CO -0.68 0.00 -0.09 1.76 0.00 0.00 0.00 176.54 177.52 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.02 -0.46 -3.29 113.55 110.01 2jww h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jww h SER 65 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2jww h SER 65 CO 0.04 0.42 0.13 -0.29 -1.14 0.00 0.00 176.83 175.99 2jww h ILE 66 N -0.74 0.00 -0.53 3.27 6.09 0.14 -2.36 117.51 123.38 2jww h ILE 66 Ca 0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 2jww h ILE 66 Cb 0.09 0.52 -0.03 0.00 0.47 0.00 0.00 36.82 37.88 2jww h ILE 66 CO 0.00 0.00 0.31 -0.07 -3.07 0.00 0.00 178.15 175.32 2jww h LEU 67 N 0.00 0.64 0.00 2.19 -0.00 -1.22 -2.02 115.31 114.90 2jww h LEU 67 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2jww h LEU 67 Cb 0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2jww h LEU 67 CO 0.00 0.52 0.01 2.29 -0.00 0.00 0.00 178.44 181.26 2jww n LYS 68 N -4.66 0.00 -0.28 1.13 -0.00 -0.89 -2.13 118.16 111.33 2jww n LYS 68 Ca 0.03 0.41 0.09 0.00 -0.00 0.00 0.00 58.31 58.84 2jww n LYS 68 Cb 0.06 -1.51 0.25 0.00 -0.00 0.00 0.00 35.03 33.83 2jww n LYS 68 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2jww h GLY 69 N 0.00 1.33 0.04 2.58 0.00 -1.55 1.60 103.07 107.06 2jww h GLY 69 Ca 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 47.33 46.79 2jww h GLY 69 CO 0.00 -0.20 -2.24 1.97 0.00 0.00 0.00 176.54 176.07 2jww n PHE 70 N -5.05 0.29 1.10 5.60 -1.74 -0.91 -4.41 117.46 112.35 2jww n PHE 70 Ca 0.18 0.11 0.09 0.00 -0.56 0.00 0.00 57.45 57.27 2jww n PHE 70 Cb 0.55 -1.03 0.52 0.00 1.52 0.00 0.00 39.48 41.04 2jww n PHE 70 CO 0.00 0.00 0.00 0.43 -0.56 0.00 0.00 176.76 176.63 2jww n SER 71 N -4.09 0.00 -0.05 5.98 7.64 -1.04 -3.94 113.62 118.11 2jww n SER 71 Ca -0.47 -0.54 0.24 0.00 1.01 0.00 0.00 58.87 59.11 2jww n SER 71 Cb 0.87 -0.01 0.59 0.00 -1.01 0.00 0.00 64.21 64.66 2jww n SER 71 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2jww h SER 72 N 0.00 0.00 -0.76 6.43 4.64 0.21 1.36 113.55 125.44 2jww h SER 72 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 2jww h SER 72 Cb 0.00 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 61.89 2jww h SER 72 CO 0.00 0.00 0.42 -0.67 -0.87 0.00 0.00 176.83 175.71 2jww n ASP 73 N -3.44 3.95 0.00 4.97 2.03 -1.25 -4.67 116.55 118.13 2jww n ASP 73 Ca 0.15 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.24 2jww n ASP 73 Cb 1.07 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jww n ALA 74 N -0.55 0.97 -3.00 -1.67 0.00 0.46 -3.43 120.51 113.28 2jww n ALA 74 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2jww n ALA 74 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.84 2jww n ALA 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jww n ARG 75 N -1.04 0.00 -2.46 0.00 1.85 -0.74 -5.04 116.66 109.23 2jww n ARG 75 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 2jww n ARG 75 Cb 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2jww n ARG 75 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2jww n ASP 76 N 0.00 1.80 -3.97 2.89 5.75 -1.26 -4.45 116.55 117.30 2jww n ASP 76 Ca 0.00 -1.72 -0.31 0.00 -0.01 0.00 0.00 54.79 52.76 2jww n ASP 76 Cb 0.00 0.01 -0.12 0.00 -1.03 0.00 0.00 41.12 39.99 2jww n ASP 76 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2jww s LEU 77 N 0.00 4.81 0.00 -2.12 2.96 -1.24 -4.91 118.68 118.19 2jww s LEU 77 Ca 0.09 -3.45 -0.08 0.00 -0.22 0.00 0.00 54.13 50.48 2jww s LEU 77 Cb -0.01 -1.70 0.12 0.00 0.50 0.00 0.00 46.19 45.09 2jww s LEU 77 CO 0.06 -0.18 0.42 -1.54 -1.32 0.00 0.00 176.35 173.79 2jww n SER 78 N 2.57 -1.40 -0.22 3.68 3.41 -1.26 -4.11 113.62 116.28 2jww n SER 78 Ca 0.14 -0.76 0.02 0.00 -0.26 0.00 0.00 58.87 58.01 2jww n SER 78 Cb 0.35 -0.38 0.11 0.00 -0.26 0.00 0.00 64.21 64.02 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 79 N -2.28 0.60 -0.34 7.33 0.00 -1.98 0.44 119.26 123.04 2jww h ALA 79 Ca -0.16 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2jww h ALA 79 Cb 0.48 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2jww h ALA 79 CO 0.10 -0.41 -0.25 -0.22 0.00 0.00 0.00 179.25 178.47 2jww h LYS 80 N 0.07 -0.20 -0.03 0.00 3.64 -1.96 0.28 116.57 118.37 2jww h LYS 80 Ca 0.35 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.62 2jww h LYS 80 Cb 0.57 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2jww h LYS 80 CO -0.62 -0.13 -0.55 0.93 -2.27 0.00 0.00 179.45 176.81 2jww h GLU 81 N -0.21 0.07 -0.12 1.90 4.39 -1.48 1.42 114.58 120.57 2jww h GLU 81 Ca 0.17 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2jww h GLU 81 Cb 0.47 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2jww h GLU 81 CO -0.46 0.60 0.06 1.15 -1.16 0.00 0.00 179.01 179.21 2jww h THR 82 N 0.06 1.09 0.00 1.13 2.02 0.12 1.92 112.91 119.25 2jww h THR 82 Ca -0.00 -0.24 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 2jww h THR 82 Cb 0.99 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2jww h THR 82 CO 0.08 0.08 -0.65 0.11 0.37 0.00 0.00 175.52 175.50 2jww h LYS 83 N 0.10 0.00 0.00 6.66 1.79 -0.30 -1.20 116.57 123.61 2jww h LYS 83 Ca 0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2jww h LYS 83 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2jww h LYS 83 CO -0.01 0.65 -0.52 1.15 -1.08 0.00 0.00 179.45 179.64 2jww h THR 84 N 0.00 0.28 0.00 -0.16 2.02 0.24 -3.34 112.91 111.95 2jww h THR 84 Ca -0.01 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.84 2jww h THR 84 Cb 1.27 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jww h THR 84 CO 0.08 0.10 -0.19 0.25 0.37 0.00 0.00 175.52 176.13 2jww h LEU 85 N -1.00 0.00 0.14 2.58 5.85 0.28 -3.22 115.31 119.94 2jww h LEU 85 Ca -0.07 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 57.92 2jww h LEU 85 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2jww h LEU 85 CO -0.04 0.97 -0.07 -0.03 -0.34 0.00 0.00 178.44 178.93 2jww h MET 86 N -1.00 -0.19 -0.31 1.25 4.05 -0.81 -0.55 114.93 117.36 2jww h MET 86 Ca -0.05 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.48 2jww h MET 86 Cb 0.85 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 2jww h MET 86 CO -0.03 -0.08 0.34 0.00 0.23 0.00 0.00 176.91 177.36 2jww h ALA 87 N 0.61 1.99 0.09 0.39 0.00 -1.35 -0.03 119.26 120.96 2jww h ALA 87 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jww h ALA 87 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jww h ALA 87 CO 0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 179.25 178.74 2jww h ALA 88 N 1.62 -0.13 -0.77 0.00 0.00 -1.27 -3.09 119.26 115.63 2jww h ALA 88 Ca 0.15 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.16 2jww h ALA 88 Cb 0.82 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.56 2jww h ALA 88 CO -0.00 -0.12 0.27 0.78 0.00 0.00 0.00 179.25 180.18 2jww h GLY 89 N -1.03 1.15 -3.40 0.00 0.00 -0.59 0.31 103.07 99.50 2jww h GLY 89 Ca -0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 47.33 46.89 2jww h GLY 89 CO 0.02 -0.15 0.41 2.09 0.00 0.00 0.00 176.54 178.91 2jww n ASP 90 N -5.06 5.97 -0.27 0.19 5.68 -0.08 -3.15 116.55 119.84 2jww n ASP 90 Ca 0.15 -3.03 0.22 0.00 -0.50 0.00 0.00 54.79 51.63 2jww n ASP 90 Cb 0.46 -0.99 0.36 0.00 -1.14 0.00 0.00 41.12 39.81 2jww n ASP 90 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2jww n LYS 91 N 0.21 -0.01 0.34 0.11 0.00 0.11 0.18 118.16 119.09 2jww n LYS 91 Ca 0.31 0.61 0.17 0.00 0.00 0.00 0.00 58.31 59.40 2jww n LYS 91 Cb 0.66 -1.26 0.90 0.00 0.00 0.00 0.00 35.03 35.34 2jww n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jww h ASP 92 N 0.00 0.00 -1.24 3.14 3.32 -1.85 -3.45 116.42 116.34 2jww h ASP 92 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 2jww h ASP 92 Cb 1.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2jww h ASP 92 CO -0.18 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.95 2jww n GLY 93 N -1.19 0.50 0.00 2.75 0.00 0.47 -5.02 105.19 102.70 2jww n GLY 93 Ca -0.02 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.73 2jww n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jww n ASP 94 N -0.62 0.51 0.00 1.61 5.75 -1.22 -5.00 116.55 117.58 2jww n ASP 94 Ca 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 2jww n ASP 94 Cb 0.30 1.02 0.00 0.00 -1.03 0.00 0.00 41.12 41.41 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jww n GLY 95 N 1.22 2.90 3.30 6.12 0.00 -1.26 -4.98 105.19 112.48 2jww n GLY 95 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2jww n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jww s LYS 96 N -0.07 1.78 -0.08 1.61 1.02 -1.26 -4.51 119.74 118.22 2jww s LYS 96 Ca 0.00 -0.97 -0.03 0.00 0.02 0.00 0.00 55.97 55.00 2jww s LYS 96 Cb 0.00 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 2jww s LYS 96 CO 0.00 0.49 0.03 0.42 -0.92 0.00 0.00 175.35 175.37 2jww s ILE 97 N -0.70 4.56 0.06 2.17 1.01 -1.24 -4.61 121.20 122.46 2jww s ILE 97 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2jww s ILE 97 Cb -0.09 -2.95 -0.00 0.00 0.01 0.00 0.00 42.46 39.43 2jww s ILE 97 CO 0.01 0.59 0.08 0.61 0.00 0.00 0.00 174.94 176.22 2jww n GLY 98 N 2.03 3.18 0.41 6.18 0.00 -1.26 -2.08 105.19 113.65 2jww n GLY 98 Ca -0.18 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 2jww n GLY 98 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jww h VAL 99 N 1.19 0.00 -0.12 1.61 2.07 -1.95 0.99 116.25 120.03 2jww h VAL 99 Ca -0.05 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 2jww h VAL 99 Cb 0.22 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2jww h VAL 99 CO 0.07 0.00 -0.11 1.05 0.02 0.00 0.00 177.57 178.59 2jww h GLU 100 N -0.49 -0.13 0.00 1.57 4.11 -1.97 -2.26 114.58 115.41 2jww h GLU 100 Ca 0.03 0.01 -0.06 0.00 0.07 0.00 0.00 59.36 59.41 2jww h GLU 100 Cb 0.58 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jww h GLU 100 CO -0.39 -0.09 -0.27 0.93 0.07 0.00 0.00 179.01 179.26 2jww h GLU 101 N -0.13 0.00 -0.14 1.06 3.07 -1.81 -2.52 114.58 114.11 2jww h GLU 101 Ca 0.08 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.98 2jww h GLU 101 Cb 0.25 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2jww h GLU 101 CO -0.20 0.27 0.30 0.35 -1.40 0.00 0.00 179.01 178.33 2jww h PHE 102 N 0.00 0.00 -0.09 4.33 3.57 0.16 0.24 116.94 125.15 2jww h PHE 102 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 2jww h PHE 102 Cb 0.50 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.25 2jww h PHE 102 CO 0.00 0.00 -0.60 0.77 -2.23 0.00 0.00 178.31 176.25 2jww h SER 103 N 0.00 0.69 -0.72 0.41 0.02 -1.51 -3.30 113.55 109.14 2jww h SER 103 Ca 0.07 -0.66 -0.01 0.00 -0.84 0.00 0.00 61.79 60.34 2jww h SER 103 Cb 0.66 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 2jww h SER 103 CO -0.00 1.24 0.40 0.74 -1.14 0.00 0.00 176.83 178.07 2jww h THR 104 N 0.19 1.22 -0.58 -2.27 2.02 -0.68 -1.88 112.91 110.92 2jww h THR 104 Ca -0.05 -0.54 0.17 0.00 0.77 0.00 0.00 66.41 66.76 2jww h THR 104 Cb 1.25 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2jww h THR 104 CO 0.12 0.24 0.48 0.17 0.37 0.00 0.00 175.52 176.90 2jww h LEU 105 N 0.99 0.00 -0.58 2.58 -0.00 -1.38 0.35 115.31 117.27 2jww h LEU 105 Ca 0.25 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.00 2jww h LEU 105 Cb 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.68 2jww h LEU 105 CO -0.04 0.00 -0.32 0.58 -0.00 0.00 0.00 178.44 178.66 2jww h VAL 106 N 0.00 1.28 0.00 0.15 2.07 -1.43 -2.82 116.25 115.49 2jww h VAL 106 Ca 0.28 -1.47 -0.06 0.00 0.82 0.00 0.00 66.70 66.27 2jww h VAL 106 Cb 1.24 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2jww h VAL 106 CO -0.00 0.48 -0.33 0.00 0.02 0.00 0.00 177.57 177.74 2jww h ALA 107 N 0.98 0.80 -0.63 1.67 0.00 -0.46 -3.37 119.26 118.25 2jww h ALA 107 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jww h ALA 107 Cb 0.86 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2jww h ALA 107 CO 0.07 0.37 0.00 0.39 0.00 0.00 0.00 179.25 180.08 2jww n GLU 108 N -3.16 0.00 0.00 0.00 -0.58 0.29 -5.13 120.64 112.07 2jww n GLU 108 Ca 0.02 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 2jww n GLU 108 Cb 0.65 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 2jww n GLU 108 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10