#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 2.93 0.07 4.33 3.85 -1.26 -4.67 117.12 122.37 2jww n MET 2 Ca 0.00 -3.78 -0.11 0.00 -1.00 0.00 0.00 57.70 52.80 2jww n MET 2 Cb 0.00 -2.26 -0.02 0.00 -1.05 0.00 0.00 33.22 29.88 2jww n MET 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2jww h THR 3 N 2.15 1.43 0.00 3.17 2.02 -1.98 0.94 112.91 120.64 2jww h THR 3 Ca 0.50 -2.45 0.00 0.00 0.77 0.00 0.00 66.41 65.23 2jww h THR 3 Cb 0.26 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 2jww h THR 3 CO 1.28 0.73 0.00 0.44 0.37 0.00 0.00 175.52 178.34 2jww h ASP 4 N 0.20 0.00 0.00 4.18 5.19 -2.00 -3.38 116.42 120.61 2jww h ASP 4 Ca -0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2jww h ASP 4 Cb 1.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.02 2jww h ASP 4 CO 0.15 0.00 -0.36 0.18 -3.12 0.00 0.00 179.24 176.08 2jww n LEU 5 N -2.51 0.92 -4.79 1.55 7.99 -1.18 -5.02 117.00 113.97 2jww n LEU 5 Ca 0.03 0.15 -0.36 0.00 -0.01 0.00 0.00 56.01 55.83 2jww n LEU 5 Cb 0.36 -0.48 -0.05 0.00 -0.11 0.00 0.00 43.42 43.14 2jww n LEU 5 CO 0.27 -0.47 0.69 -0.76 -1.51 0.00 0.00 177.39 175.61 2jww s LEU 6 N -6.45 4.13 -0.10 2.23 1.43 0.32 -4.88 118.68 115.36 2jww s LEU 6 Ca -0.11 1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 2jww s LEU 6 Cb 0.01 -4.25 -0.07 0.00 0.03 0.00 0.00 46.19 41.91 2jww s LEU 6 CO 0.16 -0.35 2.10 -1.20 0.23 0.00 0.00 176.35 177.29 2jww n SER 7 N -0.08 3.67 -0.24 2.29 7.64 -1.26 -4.50 113.62 121.14 2jww n SER 7 Ca 0.05 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.45 2jww n SER 7 Cb 0.51 -1.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.26 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 8 N 12.77 0.89 -0.15 -0.43 0.00 -1.89 -2.12 119.26 128.33 2jww h ALA 8 Ca -0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 2jww h ALA 8 Cb 1.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jww h ALA 8 CO 0.95 0.17 -0.22 1.05 0.00 0.00 0.00 179.25 181.20 2jww h GLU 9 N 0.81 0.41 -0.37 0.00 4.11 -1.93 -2.48 114.58 115.14 2jww h GLU 9 Ca 0.28 -0.25 0.08 0.00 0.07 0.00 0.00 59.36 59.54 2jww h GLU 9 Cb 0.05 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 2jww h GLU 9 CO -0.12 0.83 -0.21 -0.44 0.07 0.00 0.00 179.01 179.15 2jww h ASP 10 N 0.03 -0.70 0.39 3.06 5.19 -1.71 1.27 116.42 123.95 2jww h ASP 10 Ca 0.01 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 2jww h ASP 10 Cb 0.79 0.36 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2jww h ASP 10 CO 0.05 -0.24 -0.19 0.40 -3.12 0.00 0.00 179.24 176.15 2jww h ILE 11 N -0.15 0.62 -0.52 0.35 2.04 -0.45 1.34 117.51 120.74 2jww h ILE 11 Ca 0.18 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2jww h ILE 11 Cb 0.43 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2jww h ILE 11 CO -0.46 0.01 0.28 0.50 0.00 0.00 0.00 178.15 178.49 2jww h LYS 12 N -0.57 0.72 0.05 2.37 3.64 -1.05 0.98 116.57 122.71 2jww h LYS 12 Ca -0.05 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 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 0.09 0.57 -0.03 0.87 -2.27 0.00 0.00 179.45 178.68 2jww h LYS 13 N 0.69 -0.07 -0.08 1.90 1.57 0.17 -2.48 116.57 118.27 2jww h LYS 13 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2jww h LYS 13 Cb 0.05 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2jww h LYS 13 CO -0.03 0.19 0.01 0.00 -0.57 0.00 0.00 179.45 179.05 2jww h ALA 14 N 0.60 0.10 -0.64 3.86 0.00 0.19 1.26 119.26 124.64 2jww h ALA 14 Ca -0.01 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jww h ALA 14 Cb 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 2jww h ALA 14 CO 0.01 -0.24 0.26 0.82 0.00 0.00 0.00 179.25 180.11 2jww h ILE 15 N -0.13 0.79 -0.01 0.00 2.04 0.94 -1.86 117.51 119.28 2jww h ILE 15 Ca 0.02 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2jww h ILE 15 Cb 0.31 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2jww h ILE 15 CO 0.00 0.08 -0.38 0.61 0.00 0.00 0.00 178.15 178.47 2jww n GLY 16 N -1.30 -0.19 0.09 5.37 0.00 -0.94 -4.39 105.19 103.84 2jww n GLY 16 Ca 0.09 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 3.83 0.14 -2.84 4.61 0.00 0.25 -3.46 119.26 121.79 2jww h ALA 17 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 2jww h ALA 17 Cb 0.66 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.21 2jww h ALA 17 CO 0.00 -0.22 -0.58 -0.59 0.00 0.00 0.00 179.25 177.85 2jww s PHE 18 N -5.24 0.14 -0.09 0.00 -0.71 -1.22 -5.05 117.98 105.82 2jww s PHE 18 Ca -0.14 -0.32 0.14 0.00 -1.04 0.00 0.00 56.93 55.57 2jww s PHE 18 Cb 0.05 -0.11 -0.08 0.00 -1.21 0.00 0.00 43.02 41.67 2jww s PHE 18 CO 0.69 -0.25 1.12 0.00 -1.34 0.00 0.00 175.22 175.44 2jww h THR 19 N 4.39 0.86 -0.89 -4.49 1.03 -1.88 -3.32 112.91 108.61 2jww h THR 19 Ca -0.31 -2.37 0.26 0.00 -0.01 0.00 0.00 66.41 63.98 2jww h THR 19 Cb 1.20 2.34 -0.04 0.00 -1.07 0.00 0.00 68.15 70.59 2jww h THR 19 CO 0.41 0.49 0.86 0.00 -0.01 0.00 0.00 175.52 177.27 2jww h ALA 20 N 1.35 2.73 0.21 0.00 0.00 -1.94 0.41 119.26 122.02 2jww h ALA 20 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jww h ALA 20 Cb 1.58 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 2jww h ALA 20 CO 0.07 -1.31 -0.43 0.00 0.00 0.00 0.00 179.25 177.57 2jww h ALA 21 N 1.12 -0.83 0.00 0.00 0.00 -1.72 1.42 119.26 119.25 2jww h ALA 21 Ca 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2jww h ALA 21 Cb 2.13 0.70 0.00 0.00 0.00 0.00 0.00 17.79 20.62 2jww h ALA 21 CO -0.00 -1.02 -0.69 -0.44 0.00 0.00 0.00 179.25 177.10 2jww h ASP 22 N -0.73 0.00 0.00 0.00 3.32 -1.22 -0.76 116.42 117.04 2jww h ASP 22 Ca 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 2jww h ASP 22 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2jww h ASP 22 CO -0.20 0.06 -0.73 -1.28 -1.72 0.00 0.00 179.24 175.37 2jww h SER 23 N 0.00 0.00 0.00 6.45 0.87 0.00 -3.37 113.55 117.50 2jww h SER 23 Ca 0.00 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2jww h SER 23 Cb 0.86 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2jww h SER 23 CO 0.00 1.00 -0.32 0.33 -0.53 0.00 0.00 176.83 177.32 2jww n PHE 24 N -4.56 0.20 -3.63 2.24 7.35 0.44 -4.90 117.46 114.58 2jww n PHE 24 Ca -0.15 0.09 -0.05 0.00 -0.76 0.00 0.00 57.45 56.57 2jww n PHE 24 Cb 0.40 -0.34 -0.06 0.00 0.35 0.00 0.00 39.48 39.83 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2jww s ASP 25 N -4.62 -0.93 0.13 -2.13 2.15 0.17 -4.37 116.67 107.06 2jww s ASP 25 Ca -0.09 1.43 0.21 0.00 0.43 0.00 0.00 52.55 54.52 2jww s ASP 25 Cb 0.01 1.58 0.84 0.00 -0.30 0.00 0.00 42.92 45.05 2jww s ASP 25 CO 0.14 -0.22 1.64 1.41 -0.17 0.00 0.00 175.17 177.96 2jww n HIS 26 N 4.52 0.42 -0.14 -5.34 8.25 -0.29 -3.60 115.22 119.04 2jww n HIS 26 Ca -0.18 0.16 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 2jww n HIS 26 Cb 0.56 -0.76 -0.01 0.00 1.12 0.00 0.00 29.99 30.91 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2jww h LYS 27 N 0.00 -0.23 -0.23 -0.41 1.79 -1.93 0.63 116.57 116.19 2jww h LYS 27 Ca 0.00 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2jww h LYS 27 Cb 0.36 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 2jww h LYS 27 CO 0.00 -0.15 0.13 0.87 -1.08 0.00 0.00 179.45 179.22 2jww h LYS 28 N -0.23 0.31 -0.87 3.15 1.79 -1.92 -1.57 116.57 117.22 2jww h LYS 28 Ca 0.18 -0.03 0.23 0.00 -2.18 0.00 0.00 60.65 58.85 2jww h LYS 28 Cb 0.54 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 31.08 2jww h LYS 28 CO -0.57 0.26 0.60 0.35 -1.08 0.00 0.00 179.45 179.01 2jww h PHE 29 N 0.28 0.27 0.00 -1.35 3.57 -1.16 0.54 116.94 119.08 2jww h PHE 29 Ca 0.08 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2jww h PHE 29 Cb 0.03 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 2jww h PHE 29 CO -0.04 0.07 -0.05 0.35 -2.23 0.00 0.00 178.31 176.41 2jww h PHE 30 N 0.20 0.00 0.15 0.41 3.57 0.12 1.43 116.94 122.82 2jww h PHE 30 Ca 0.44 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.66 2jww h PHE 30 Cb 1.40 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.15 2jww h PHE 30 CO -0.00 0.05 -1.38 1.96 -2.23 0.00 0.00 178.31 176.71 2jww h GLN 31 N 0.00 0.32 -0.04 1.11 4.20 0.05 -2.75 115.11 118.01 2jww h GLN 31 Ca -0.00 -0.55 -0.16 0.00 0.06 0.00 0.00 58.65 58.00 2jww h GLN 31 Cb 0.08 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 2jww h GLN 31 CO 0.01 1.26 -0.69 0.52 -0.67 0.00 0.00 178.83 179.26 2jww h MET 32 N -0.18 0.20 0.00 1.46 2.86 -0.85 -3.12 114.93 115.30 2jww h MET 32 Ca -0.28 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 2jww h MET 32 Cb 1.85 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.54 2jww h MET 32 CO 0.13 0.81 -0.15 -0.24 1.06 0.00 0.00 176.91 178.52 2jww h VAL 33 N 0.14 0.58 0.00 -2.22 3.04 0.18 -3.40 116.25 114.57 2jww h VAL 33 Ca -0.02 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2jww h VAL 33 Cb 1.22 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 2jww h VAL 33 CO 0.10 0.15 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 2jww n GLY 34 N -0.51 0.78 0.19 3.17 0.00 -1.18 -1.16 105.19 106.48 2jww n GLY 34 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 0.25 0.00 0.99 3.38 -1.74 -2.29 115.31 115.90 2jww h LEU 35 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jww h LEU 35 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jww h LEU 35 CO 0.00 0.69 -0.16 0.11 0.09 0.00 0.00 178.44 179.17 2jww h LYS 36 N 0.19 0.00 -1.10 1.13 1.57 -1.86 -3.33 116.57 113.17 2jww h LYS 36 Ca 0.01 0.00 0.31 0.00 -1.87 0.00 0.00 60.65 59.10 2jww h LYS 36 Cb 0.92 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.11 2jww h LYS 36 CO 0.07 0.00 0.69 -0.22 -0.57 0.00 0.00 179.45 179.42 2jww h LYS 37 N 0.00 0.32 0.00 3.15 3.11 -1.74 -3.42 116.57 117.98 2jww h LYS 37 Ca 0.00 -0.02 -0.34 0.00 -2.81 0.00 0.00 60.65 57.48 2jww h LYS 37 Cb 0.76 -0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.85 2jww h LYS 37 CO 0.00 0.21 -0.26 1.63 -2.81 0.00 0.00 179.45 178.22 2jww n LYS 38 N -4.75 1.11 -1.21 1.90 5.02 -1.25 -5.11 118.16 113.87 2jww n LYS 38 Ca 0.30 -1.97 -0.29 0.00 -2.02 0.00 0.00 58.31 54.32 2jww n LYS 38 Cb 1.02 0.72 0.19 0.00 -0.02 0.00 0.00 35.03 36.94 2jww n LYS 38 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2jww s SER 39 N -2.47 2.23 0.43 4.39 0.01 -1.26 -4.87 113.70 112.16 2jww s SER 39 Ca 0.04 0.97 0.30 0.00 1.31 0.00 0.00 55.95 58.57 2jww s SER 39 Cb 0.00 -1.49 1.39 0.00 0.21 0.00 0.00 66.02 66.12 2jww s SER 39 CO 0.03 -3.35 1.91 0.00 0.41 0.00 0.00 173.24 172.23 2jww h ALA 40 N -2.05 1.00 -0.04 1.44 0.00 -1.93 -2.42 119.26 115.26 2jww h ALA 40 Ca -0.52 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 2jww h ALA 40 Cb 1.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2jww h ALA 40 CO 0.52 0.00 -0.83 -0.44 0.00 0.00 0.00 179.25 178.49 2jww h ASP 41 N 0.00 0.51 0.12 0.00 3.32 -1.98 -0.54 116.42 117.86 2jww h ASP 41 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 2jww h ASP 41 Cb 0.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2jww h ASP 41 CO 0.00 1.14 -0.06 0.44 -1.72 0.00 0.00 179.24 179.05 2jww h ASP 42 N 0.26 -0.13 -0.68 6.45 5.19 -1.79 -3.02 116.42 122.70 2jww h ASP 42 Ca -0.05 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 2jww h ASP 42 Cb 1.44 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.95 2jww h ASP 42 CO 0.14 0.25 0.44 -0.37 -3.12 0.00 0.00 179.24 176.59 2jww h VAL 43 N -0.54 1.18 -0.64 -1.35 -1.51 -1.60 -2.17 116.25 109.63 2jww h VAL 43 Ca -0.02 -0.34 0.18 0.00 -1.23 0.00 0.00 66.70 65.30 2jww h VAL 43 Cb 0.43 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.75 2jww h VAL 43 CO 0.03 0.18 0.60 0.11 -1.23 0.00 0.00 177.57 177.25 2jww h LYS 44 N 0.93 0.00 -0.27 5.19 1.57 -0.96 -1.94 116.57 121.10 2jww h LYS 44 Ca 0.25 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 2jww h LYS 44 Cb -0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 2jww h LYS 44 CO -0.05 0.00 0.06 0.87 -0.57 0.00 0.00 179.45 179.75 2jww h LYS 45 N 0.00 0.16 -0.23 3.15 6.56 -1.38 0.79 116.57 125.61 2jww h LYS 45 Ca 0.30 -0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.95 2jww h LYS 45 Cb 1.50 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.11 2jww h LYS 45 CO -0.00 0.10 0.21 -0.24 -2.06 0.00 0.00 179.45 177.46 2jww h VAL 46 N 0.16 0.62 -0.72 0.50 3.04 -1.55 -2.07 116.25 116.22 2jww h VAL 46 Ca 0.12 0.00 0.16 0.00 -1.01 0.00 0.00 66.70 65.97 2jww h VAL 46 Cb 0.12 0.84 -0.13 0.00 -2.01 0.00 0.00 31.29 30.11 2jww h VAL 46 CO -0.16 0.00 -0.07 0.15 -1.01 0.00 0.00 177.57 176.48 2jww h PHE 47 N 0.00 -0.19 -0.04 3.17 3.57 -0.93 0.55 116.94 123.08 2jww h PHE 47 Ca 0.11 0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 2jww h PHE 47 Cb 0.53 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2jww h PHE 47 CO 0.00 -0.26 -0.65 1.25 -2.23 0.00 0.00 178.31 176.41 2jww h HIS 48 N 0.06 0.20 -0.05 0.41 2.76 -1.46 1.66 115.15 118.72 2jww h HIS 48 Ca 0.37 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2jww h HIS 48 Cb 0.62 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 2jww h HIS 48 CO -0.48 0.76 0.03 0.82 -1.30 0.00 0.00 177.93 177.76 2jww h ILE 49 N 0.11 1.05 0.02 6.26 1.08 -0.25 -2.79 117.51 122.99 2jww h ILE 49 Ca -0.01 -0.14 -0.26 0.00 -0.39 0.00 0.00 64.86 64.06 2jww h ILE 49 Cb 1.17 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 2jww h ILE 49 CO 0.10 0.04 -1.37 0.17 -0.69 0.00 0.00 178.15 176.40 2jww h LEU 50 N 0.03 0.07 -4.14 1.44 8.10 -0.07 -3.35 115.31 117.39 2jww h LEU 50 Ca 0.02 -0.09 -0.52 0.00 0.11 0.00 0.00 57.88 57.40 2jww h LEU 50 Cb 0.04 -0.02 -0.20 0.00 -0.44 0.00 0.00 40.66 40.04 2jww h LEU 50 CO -0.00 1.08 0.59 -0.67 -4.11 0.00 0.00 178.44 175.33 2jww n ASP 51 N -3.25 6.87 0.01 0.17 -0.08 0.57 -4.57 116.55 116.27 2jww n ASP 51 Ca -0.09 -3.37 -0.13 0.00 -1.51 0.00 0.00 54.79 49.69 2jww n ASP 51 Cb 1.00 -1.10 -0.10 0.00 2.34 0.00 0.00 41.12 43.26 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 2.29 -0.07 -0.05 -0.67 2.10 -1.64 -3.37 116.57 115.18 2jww h LYS 52 Ca 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.08 2jww h LYS 52 Cb 0.70 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.05 2jww h LYS 52 CO 1.06 0.42 0.00 -3.47 -2.00 0.00 0.00 179.45 175.46 2jww n ASP 53 N -4.88 1.69 0.06 7.07 2.03 -1.26 -4.59 116.55 116.67 2jww n ASP 53 Ca -0.09 -1.43 0.09 0.00 0.52 0.00 0.00 54.79 53.88 2jww n ASP 53 Cb 0.26 -0.03 0.38 0.00 -0.72 0.00 0.00 41.12 41.01 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jww n LYS 54 N 0.18 0.09 -2.55 -0.67 4.76 -1.26 -4.89 118.16 113.83 2jww n LYS 54 Ca 0.03 0.36 -0.04 0.00 -2.87 0.00 0.00 58.31 55.80 2jww n LYS 54 Cb 0.18 -1.68 0.02 0.00 -1.84 0.00 0.00 35.03 31.71 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jww n SER 55 N -1.85 -2.52 0.00 4.39 2.88 -1.26 -3.62 113.62 111.64 2jww n SER 55 Ca 0.02 -0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2jww n SER 55 Cb 0.17 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 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 -0.86 1.59 3.31 0.46 0.00 -1.26 -4.97 105.19 103.45 2jww n GLY 56 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.64 -0.40 -0.10 1.61 0.40 -1.24 -4.29 117.98 110.32 2jww s PHE 57 Ca 0.00 0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 57.18 2jww s PHE 57 Cb 0.00 0.16 -0.04 0.00 0.51 0.00 0.00 43.02 43.65 2jww s PHE 57 CO 0.00 -0.30 0.06 0.42 0.70 0.00 0.00 175.22 176.11 2jww s ILE 58 N -0.31 4.84 -0.27 0.64 -1.09 -1.20 -4.62 121.20 119.19 2jww s ILE 58 Ca -0.05 -0.05 -0.10 0.00 -2.23 0.00 0.00 60.65 58.23 2jww s ILE 58 Cb -0.03 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 2jww s ILE 58 CO 0.02 0.61 0.15 -1.61 -1.23 0.00 0.00 174.94 172.88 2jww s GLU 59 N -0.94 3.82 0.47 2.79 2.02 -1.26 -2.96 118.70 122.64 2jww s GLU 59 Ca 0.14 -0.39 0.41 0.00 0.02 0.00 0.00 54.97 55.15 2jww s GLU 59 Cb -0.12 -3.54 1.50 0.00 0.10 0.00 0.00 34.13 32.07 2jww s GLU 59 CO 0.03 -0.19 1.39 -0.85 0.02 0.00 0.00 175.26 175.66 2jww n GLU 60 N 5.01 -0.01 0.06 1.61 0.28 -1.18 0.20 120.64 126.62 2jww n GLU 60 Ca -0.15 1.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.73 2jww n GLU 60 Cb 0.52 -2.23 -0.09 0.00 1.43 0.00 0.00 31.44 31.07 2jww n GLU 60 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2jww h ASP 61 N 0.00 -0.17 1.30 -1.84 3.58 -1.92 -3.21 116.42 114.15 2jww h ASP 61 Ca 0.83 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.94 2jww h ASP 61 Cb 3.18 0.04 0.00 0.00 1.72 0.00 0.00 39.33 44.27 2jww h ASP 61 CO -0.11 0.29 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.13 2jww h GLU 62 N -0.68 0.00 -0.72 0.28 4.57 -0.43 -3.33 114.58 114.27 2jww h GLU 62 Ca -0.02 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.30 2jww h GLU 62 Cb 0.50 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.99 2jww h GLU 62 CO 0.03 0.00 0.21 1.25 -1.18 0.00 0.00 179.01 179.32 2jww h LEU 63 N 0.00 0.10 -2.42 1.64 5.85 0.23 0.49 115.31 121.20 2jww h LEU 63 Ca 0.00 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2jww h LEU 63 Cb 0.81 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2jww h LEU 63 CO 0.00 0.02 0.10 1.23 -0.34 0.00 0.00 178.44 179.44 2jww h GLY 64 N 0.32 0.00 0.00 3.75 0.00 -1.67 0.64 103.07 106.11 2jww h GLY 64 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 2jww h GLY 64 CO -0.45 0.00 -0.25 0.23 0.00 0.00 0.00 176.54 176.07 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.87 -0.33 -3.33 113.55 110.95 2jww h SER 65 Ca 0.03 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2jww h SER 65 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jww h SER 65 CO -0.00 0.65 0.01 -0.29 -0.53 0.00 0.00 176.83 176.67 2jww h ILE 66 N -1.00 0.00 -1.23 2.23 6.09 -0.87 -2.57 117.51 120.17 2jww h ILE 66 Ca -0.01 0.00 0.36 0.00 -1.37 0.00 0.00 64.86 63.84 2jww h ILE 66 Cb 0.28 0.62 -0.05 0.00 0.47 0.00 0.00 36.82 38.13 2jww h ILE 66 CO -0.01 0.00 1.00 0.25 -3.07 0.00 0.00 178.15 176.33 2jww h LEU 67 N 0.00 0.00 -1.41 2.19 7.12 0.18 0.65 115.31 124.04 2jww h LEU 67 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jww h LEU 67 Cb 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2jww h LEU 67 CO 0.00 0.00 0.52 0.11 -0.13 0.00 0.00 178.44 178.94 2jww h LYS 68 N 0.00 0.00 -0.64 1.25 1.57 -1.70 -0.42 116.57 116.63 2jww h LYS 68 Ca 0.58 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.47 2jww h LYS 68 Cb 2.58 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.77 2jww h LYS 68 CO -0.01 0.00 -0.33 0.78 -0.57 0.00 0.00 179.45 179.33 2jww h GLY 69 N 0.00 -0.04 0.10 3.86 0.00 -1.16 1.33 103.07 107.16 2jww h GLY 69 Ca 0.00 0.43 -0.39 0.00 0.00 0.00 0.00 47.33 47.36 2jww h GLY 69 CO 0.00 -0.21 -2.32 1.97 0.00 0.00 0.00 176.54 175.98 2jww n PHE 70 N -5.44 0.30 0.83 5.60 -1.74 -0.75 -4.37 117.46 111.88 2jww n PHE 70 Ca 0.05 0.08 0.04 0.00 -0.56 0.00 0.00 57.45 57.07 2jww n PHE 70 Cb 0.36 -1.04 0.26 0.00 1.52 0.00 0.00 39.48 40.59 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 -3.68 0.00 -0.08 5.98 7.64 -0.24 -3.99 113.62 119.25 2jww n SER 71 Ca -0.45 -0.55 0.25 0.00 1.01 0.00 0.00 58.87 59.13 2jww n SER 71 Cb 0.94 0.00 0.55 0.00 -1.01 0.00 0.00 64.21 64.70 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2jww h SER 72 N 0.00 0.00 -0.52 6.43 0.87 0.16 1.74 113.55 122.23 2jww h SER 72 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2jww h SER 72 Cb 0.00 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 61.71 2jww h SER 72 CO 0.00 0.00 -0.39 0.47 -0.53 0.00 0.00 176.83 176.38 2jww n ASP 73 N -3.39 3.93 0.00 6.23 8.00 -1.26 -5.01 116.55 125.06 2jww n ASP 73 Ca 0.17 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.87 2jww n ASP 73 Cb 1.17 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jww n ALA 74 N -0.92 0.00 -1.81 2.24 0.00 0.59 -4.56 120.51 116.06 2jww n ALA 74 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2jww n ALA 74 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 2jww n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jww n ARG 75 N 0.00 0.00 0.00 0.00 1.74 -1.26 -5.03 116.66 112.11 2jww n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2jww n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2jww n ARG 75 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2jww n ASP 76 N -0.28 0.00 -4.44 0.55 5.68 -1.26 -4.88 116.55 111.92 2jww n ASP 76 Ca 0.00 0.00 -0.44 0.00 -0.50 0.00 0.00 54.79 53.85 2jww n ASP 76 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 2jww n ASP 76 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 2jww s LEU 77 N 0.00 4.81 0.00 -2.12 0.05 -1.26 -4.49 118.68 115.68 2jww s LEU 77 Ca 0.00 -1.54 -0.02 0.00 0.05 0.00 0.00 54.13 52.62 2jww s LEU 77 Cb 0.00 -2.40 0.03 0.00 -2.05 0.00 0.00 46.19 41.78 2jww s LEU 77 CO 0.00 -1.23 0.12 -0.24 -0.55 0.00 0.00 176.35 174.45 2jww n SER 78 N 7.01 -1.24 -0.20 1.48 2.88 -1.26 -4.33 113.62 117.95 2jww n SER 78 Ca 0.09 -0.52 -0.01 0.00 -1.33 0.00 0.00 58.87 57.09 2jww n SER 78 Cb 0.47 -0.11 0.05 0.00 -0.75 0.00 0.00 64.21 63.87 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jww h ALA 79 N -2.09 0.38 -0.29 -1.46 0.00 -1.95 0.58 119.26 114.43 2jww h ALA 79 Ca -0.04 0.23 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2jww h ALA 79 Cb 0.14 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2jww h ALA 79 CO 0.03 -0.44 -0.31 0.87 0.00 0.00 0.00 179.25 179.41 2jww h LYS 80 N -0.01 -0.28 0.00 0.00 1.57 -1.90 0.28 116.57 116.23 2jww h LYS 80 Ca 0.29 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 2jww h LYS 80 Cb 0.44 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2jww h LYS 80 CO -0.62 -0.19 -0.36 0.93 -0.57 0.00 0.00 179.45 178.64 2jww h GLU 81 N -0.29 0.00 0.24 3.15 3.07 -1.45 1.59 114.58 120.90 2jww h GLU 81 Ca 0.14 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 2jww h GLU 81 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2jww h GLU 81 CO -0.46 0.36 -0.12 1.15 -1.40 0.00 0.00 179.01 178.55 2jww h THR 82 N 0.00 0.76 0.01 1.13 2.02 0.21 1.49 112.91 118.54 2jww h THR 82 Ca -0.00 -0.02 -0.20 0.00 0.77 0.00 0.00 66.41 66.96 2jww h THR 82 Cb 0.74 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2jww h THR 82 CO 0.05 0.00 -0.94 0.11 0.37 0.00 0.00 175.52 175.11 2jww h LYS 83 N -0.34 0.06 0.00 6.66 1.79 -1.00 -2.42 116.57 121.34 2jww h LYS 83 Ca -0.03 -0.09 -0.05 0.00 -2.18 0.00 0.00 60.65 58.30 2jww h LYS 83 Cb 0.26 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2jww h LYS 83 CO 0.05 0.95 -0.57 1.15 -1.08 0.00 0.00 179.45 179.95 2jww h THR 84 N 0.03 0.27 0.01 -0.16 2.02 0.25 -3.28 112.91 112.06 2jww h THR 84 Ca -0.03 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 2jww h THR 84 Cb 1.63 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2jww h THR 84 CO 0.13 0.09 -0.01 0.25 0.37 0.00 0.00 175.52 176.36 2jww h LEU 85 N -1.00 -0.01 0.04 2.58 7.12 0.18 -2.14 115.31 122.08 2jww h LEU 85 Ca -0.07 -0.70 -0.00 0.00 0.13 0.00 0.00 57.88 57.23 2jww h LEU 85 Cb 0.63 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2jww h LEU 85 CO -0.05 0.71 -0.02 0.24 -0.13 0.00 0.00 178.44 179.19 2jww h MET 86 N -0.75 -0.05 -0.33 1.25 0.00 -0.79 -0.17 114.93 114.07 2jww h MET 86 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 59.70 59.75 2jww h MET 86 Cb 0.72 0.01 -0.02 0.00 0.00 0.00 0.00 31.60 32.31 2jww h MET 86 CO 0.00 0.57 0.23 0.00 0.00 0.00 0.00 176.91 177.71 2jww h ALA 87 N 0.09 2.00 0.07 6.32 0.00 -1.49 0.29 119.26 126.53 2jww h ALA 87 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2jww h ALA 87 Cb 0.65 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jww h ALA 87 CO 0.01 -0.06 -0.53 0.00 0.00 0.00 0.00 179.25 178.67 2jww h ALA 88 N 1.82 -0.03 -0.56 0.00 0.00 -1.41 -3.14 119.26 115.94 2jww h ALA 88 Ca 0.14 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.48 2jww h ALA 88 Cb 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2jww h ALA 88 CO -0.03 0.25 0.37 0.78 0.00 0.00 0.00 179.25 180.62 2jww h GLY 89 N -0.48 0.74 -3.69 0.00 0.00 -0.44 -0.26 103.07 98.94 2jww h GLY 89 Ca -0.09 -0.26 -0.48 0.00 0.00 0.00 0.00 47.33 46.51 2jww h GLY 89 CO 0.10 0.23 0.62 2.09 0.00 0.00 0.00 176.54 179.58 2jww n ASP 90 N -4.47 6.59 -0.21 0.19 5.68 0.95 -2.11 116.55 123.18 2jww n ASP 90 Ca 0.06 -3.38 0.17 0.00 -0.50 0.00 0.00 54.79 51.15 2jww n ASP 90 Cb 0.12 -0.98 0.29 0.00 -1.14 0.00 0.00 41.12 39.41 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 -0.31 -0.01 0.33 0.11 0.00 -0.11 0.20 118.16 118.37 2jww n LYS 91 Ca 0.45 0.52 0.17 0.00 0.00 0.00 0.00 58.31 59.46 2jww n LYS 91 Cb 0.72 -1.04 0.92 0.00 0.00 0.00 0.00 35.03 35.63 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 -1.48 3.14 5.19 -1.86 -3.45 116.42 117.95 2jww h ASP 92 Ca 0.37 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2jww h ASP 92 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.74 2jww h ASP 92 CO -0.18 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.55 2jww n GLY 93 N -1.18 0.51 0.00 2.75 0.00 0.54 -5.01 105.19 102.79 2jww n GLY 93 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.68 2jww n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jww n ASP 94 N -0.74 0.33 0.00 1.61 8.00 -1.22 -4.99 116.55 119.53 2jww n ASP 94 Ca 0.00 -0.66 0.00 0.00 0.71 0.00 0.00 54.79 54.84 2jww n ASP 94 Cb 0.35 1.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.45 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jww n GLY 95 N 1.16 1.47 3.06 0.44 0.00 -1.26 -4.97 105.19 105.09 2jww n GLY 95 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.12 0.75 -0.35 1.61 1.02 -1.26 -3.11 119.74 118.27 2jww s LYS 96 Ca 0.00 -0.50 -0.10 0.00 0.02 0.00 0.00 55.97 55.39 2jww s LYS 96 Cb 0.00 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.62 2jww s LYS 96 CO 0.00 0.18 0.19 0.42 -0.92 0.00 0.00 175.35 175.22 2jww s ILE 97 N -0.55 4.60 0.52 2.17 1.01 -1.15 -4.69 121.20 123.11 2jww s ILE 97 Ca 0.01 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.07 2jww s ILE 97 Cb -0.06 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.98 2jww s ILE 97 CO 0.00 -0.11 0.56 -0.83 0.00 0.00 0.00 174.94 174.56 2jww s GLY 98 N 1.58 2.04 0.39 6.18 0.00 -1.26 -3.20 107.32 113.05 2jww s GLY 98 Ca 0.03 -1.76 0.19 0.00 0.00 0.00 0.00 44.72 43.18 2jww s GLY 98 CO 0.07 -1.75 1.73 -0.24 0.00 0.00 0.00 173.10 172.90 2jww h VAL 99 N 0.59 0.42 0.06 1.40 3.04 -1.99 1.31 116.25 121.08 2jww h VAL 99 Ca -0.35 -0.12 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jww h VAL 99 Cb 1.29 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2jww h VAL 99 CO 0.50 0.06 -0.03 1.05 -1.01 0.00 0.00 177.57 178.14 2jww h GLU 100 N 0.35 -0.08 0.00 4.17 4.11 -1.94 -3.29 114.58 117.89 2jww h GLU 100 Ca 0.66 0.01 -0.05 0.00 0.07 0.00 0.00 59.36 60.04 2jww h GLU 100 Cb 1.70 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.96 2jww h GLU 100 CO -0.37 0.46 -0.24 0.93 0.07 0.00 0.00 179.01 179.86 2jww h GLU 101 N -0.71 0.00 -0.80 1.06 3.07 -1.52 -3.02 114.58 112.67 2jww h GLU 101 Ca -0.01 0.00 0.22 0.00 -0.50 0.00 0.00 59.36 59.07 2jww h GLU 101 Cb 0.58 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.45 2jww h GLU 101 CO 0.01 0.24 0.56 0.35 -1.40 0.00 0.00 179.01 178.78 2jww h PHE 102 N 0.00 0.13 0.06 4.33 3.57 0.16 0.43 116.94 125.62 2jww h PHE 102 Ca -0.00 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.26 2jww h PHE 102 Cb 0.79 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 2jww h PHE 102 CO 0.00 0.04 -1.10 1.03 -2.23 0.00 0.00 178.31 176.05 2jww h SER 103 N 0.10 0.27 -0.47 0.41 0.87 -1.67 -3.32 113.55 109.74 2jww h SER 103 Ca 0.39 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2jww h SER 103 Cb 1.38 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2jww h SER 103 CO -0.05 1.18 0.28 0.74 -0.53 0.00 0.00 176.83 178.46 2jww h THR 104 N 0.06 1.05 0.00 2.23 2.02 -0.27 -1.19 112.91 116.82 2jww h THR 104 Ca -0.08 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 2jww h THR 104 Cb 1.82 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.67 2jww h THR 104 CO 0.17 0.10 -0.01 0.17 0.37 0.00 0.00 175.52 176.32 2jww h LEU 105 N 0.57 0.00 -1.08 2.58 -0.00 -0.94 -0.72 115.31 115.72 2jww h LEU 105 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 58.02 2jww h LEU 105 Cb 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 2jww h LEU 105 CO -0.08 0.01 0.11 0.58 -0.00 0.00 0.00 178.44 179.06 2jww h VAL 106 N 0.00 1.22 0.00 0.15 2.07 -1.33 -2.03 116.25 116.33 2jww h VAL 106 Ca -0.00 -0.79 -0.17 0.00 0.82 0.00 0.00 66.70 66.56 2jww h VAL 106 Cb 0.03 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2jww h VAL 106 CO 0.00 0.29 -0.87 0.00 0.02 0.00 0.00 177.57 177.01 2jww h ALA 107 N 1.39 0.51 0.24 1.67 0.00 -1.15 -3.37 119.26 118.54 2jww h ALA 107 Ca 0.16 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 2jww h ALA 107 Cb 0.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jww h ALA 107 CO -0.00 1.02 -0.12 0.93 0.00 0.00 0.00 179.25 181.08 2jww h GLU 108 N 0.00 -0.31 0.00 0.00 4.39 -0.78 -3.53 114.58 114.35 2jww h GLU 108 Ca -0.03 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jww h GLU 108 Cb 1.63 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 2jww h GLU 108 CO 0.10 -0.21 0.00 -1.13 -1.16 0.00 0.00 179.01 176.61