#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 2.31 0.13 1.43 2.00 -1.26 -4.06 117.12 117.67 2jww n MET 2 Ca 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 57.70 56.40 2jww n MET 2 Cb 0.00 -1.58 0.13 0.00 0.00 0.00 0.00 33.22 31.77 2jww n MET 2 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2jww h THR 3 N 1.83 1.28 0.00 2.03 1.35 -1.93 0.17 112.91 117.65 2jww h THR 3 Ca 0.00 -2.25 -0.02 0.00 -0.55 0.00 0.00 66.41 63.59 2jww h THR 3 Cb 0.84 2.27 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 2jww h THR 3 CO 0.12 0.61 -0.69 -0.78 -0.25 0.00 0.00 175.52 174.53 2jww h ASP 4 N 0.00 0.00 0.00 5.36 1.82 -2.00 -3.38 116.42 118.22 2jww h ASP 4 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2jww h ASP 4 Cb 1.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2jww h ASP 4 CO 0.08 0.06 -0.04 0.18 -1.61 0.00 0.00 179.24 177.92 2jww n LEU 5 N -2.85 0.10 -4.81 2.28 4.32 -1.19 -5.03 117.00 109.81 2jww n LEU 5 Ca 0.01 0.02 -0.33 0.00 -0.02 0.00 0.00 56.01 55.69 2jww n LEU 5 Cb 0.57 -0.33 -0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2jww n LEU 5 CO 0.38 -0.50 0.71 -0.76 -1.22 0.00 0.00 177.39 176.01 2jww s LEU 6 N -5.15 3.54 -0.30 2.23 1.43 0.61 -4.90 118.68 116.13 2jww s LEU 6 Ca -0.01 1.77 -0.33 0.00 -1.03 0.00 0.00 54.13 54.53 2jww s LEU 6 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 2jww s LEU 6 CO 0.02 -1.03 2.18 -1.54 0.23 0.00 0.00 176.35 176.21 2jww n SER 7 N -1.89 2.47 -0.11 2.29 3.41 -1.26 -4.24 113.62 114.29 2jww n SER 7 Ca 0.08 0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.97 2jww n SER 7 Cb 0.53 -1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.11 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 12.85 0.45 -0.26 7.33 0.00 -1.79 -1.68 119.26 136.17 2jww h ALA 8 Ca -0.32 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2jww h ALA 8 Cb 1.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2jww h ALA 8 CO 1.00 0.32 -0.46 1.05 0.00 0.00 0.00 179.25 181.16 2jww h GLU 9 N 0.42 0.67 0.17 0.00 9.09 -1.93 -2.51 114.58 120.49 2jww h GLU 9 Ca 0.08 -0.38 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 2jww h GLU 9 Cb 0.62 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 27.75 2jww h GLU 9 CO 0.04 0.99 -0.08 -0.44 0.05 0.00 0.00 179.01 179.57 2jww h ASP 10 N 0.54 -0.19 -0.33 3.06 3.32 -1.85 -2.23 116.42 118.74 2jww h ASP 10 Ca 0.03 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 56.82 2jww h ASP 10 Cb 1.00 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 2jww h ASP 10 CO 0.09 0.25 0.04 0.40 -1.72 0.00 0.00 179.24 178.31 2jww h ILE 11 N -0.68 0.81 -0.10 0.35 2.04 -1.34 0.92 117.51 119.51 2jww h ILE 11 Ca -0.02 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2jww h ILE 11 Cb 0.49 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2jww h ILE 11 CO 0.04 0.03 -0.07 0.50 0.00 0.00 0.00 178.15 178.65 2jww h LYS 12 N 0.15 -0.07 0.04 2.37 3.11 -1.49 0.52 116.57 121.20 2jww h LYS 12 Ca 0.16 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 58.00 2jww h LYS 12 Cb 0.19 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2jww h LYS 12 CO -0.23 -0.05 -0.02 0.87 -2.81 0.00 0.00 179.45 177.21 2jww h LYS 13 N -0.07 -0.06 -0.61 1.90 1.57 -0.92 -2.10 116.57 116.28 2jww h LYS 13 Ca 0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2jww h LYS 13 Cb 0.16 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2jww h LYS 13 CO -0.14 0.32 0.29 0.00 -0.57 0.00 0.00 179.45 179.34 2jww h ALA 14 N 0.50 1.35 -0.28 3.86 0.00 0.95 0.96 119.26 126.60 2jww h ALA 14 Ca -0.01 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2jww h ALA 14 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2jww h ALA 14 CO 0.01 0.50 -0.43 0.82 0.00 0.00 0.00 179.25 180.15 2jww h ILE 15 N 0.87 1.29 -0.01 0.00 2.04 0.05 -2.68 117.51 119.07 2jww h ILE 15 Ca 0.21 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.46 2jww h ILE 15 Cb 0.10 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 2jww h ILE 15 CO -0.03 0.52 -0.58 0.61 0.00 0.00 0.00 178.15 178.67 2jww n GLY 16 N 0.10 -0.69 0.02 5.37 0.00 -0.79 -4.14 105.19 105.06 2jww n GLY 16 Ca -0.02 -0.51 0.11 0.00 0.00 0.00 0.00 46.02 45.60 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww n ALA 17 N -0.91 3.63 -3.54 4.61 0.00 0.33 -4.79 120.51 119.84 2jww n ALA 17 Ca 0.08 -0.46 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 2jww n ALA 17 Cb 0.37 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 2jww n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jww s PHE 18 N -3.18 3.42 -0.22 0.00 0.08 -1.02 -4.90 117.98 112.16 2jww s PHE 18 Ca 0.04 -1.85 -0.19 0.00 0.12 0.00 0.00 56.93 55.05 2jww s PHE 18 Cb 0.15 -3.51 -0.18 0.00 -0.57 0.00 0.00 43.02 38.91 2jww s PHE 18 CO 0.82 -1.00 0.11 2.41 -0.10 0.00 0.00 175.22 177.46 2jww n THR 19 N 4.92 1.55 -0.10 0.64 -1.04 -1.26 -4.54 114.28 114.44 2jww n THR 19 Ca -0.08 -0.14 -0.16 0.00 -2.04 0.00 0.00 64.05 61.63 2jww n THR 19 Cb 0.41 -1.99 -0.05 0.00 -1.82 0.00 0.00 70.33 66.88 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jww n ALA 20 N -3.55 1.05 -0.15 2.41 0.00 -1.26 -4.01 120.51 115.00 2jww n ALA 20 Ca -0.37 -0.89 -0.04 0.00 0.00 0.00 0.00 53.44 52.13 2jww n ALA 20 Cb 0.75 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 20.23 2jww n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jww h ALA 21 N -0.97 -0.25 0.00 0.00 0.00 -1.94 0.81 119.26 116.91 2jww h ALA 21 Ca -0.24 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2jww h ALA 21 Cb 1.19 1.11 0.00 0.00 0.00 0.00 0.00 17.79 20.09 2jww h ALA 21 CO -0.15 -0.41 0.00 0.22 0.00 0.00 0.00 179.25 178.92 2jww h ASP 22 N -0.02 0.00 -0.30 0.00 3.58 -1.80 -1.51 116.42 116.37 2jww h ASP 22 Ca 0.06 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2jww h ASP 22 Cb 0.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2jww h ASP 22 CO -0.35 0.00 0.18 -1.28 -2.88 0.00 0.00 179.24 174.91 2jww h SER 23 N 0.00 0.36 0.39 2.28 0.87 0.46 -3.20 113.55 114.71 2jww h SER 23 Ca 0.00 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 2jww h SER 23 Cb 0.26 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2jww h SER 23 CO 0.00 0.31 -1.63 2.22 -0.53 0.00 0.00 176.83 177.20 2jww n PHE 24 N -4.84 0.39 -3.30 2.24 1.16 -0.68 -3.87 117.46 108.57 2jww n PHE 24 Ca -0.02 0.12 -0.08 0.00 -1.87 0.00 0.00 57.45 55.60 2jww n PHE 24 Cb 0.05 -0.71 -0.06 0.00 -1.61 0.00 0.00 39.48 37.16 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jww s ASP 25 N -4.91 0.27 0.53 5.98 2.15 -0.59 -3.24 116.67 116.86 2jww s ASP 25 Ca -0.05 -0.47 0.32 0.00 0.43 0.00 0.00 52.55 52.77 2jww s ASP 25 Cb 0.12 1.15 1.20 0.00 -0.30 0.00 0.00 42.92 45.09 2jww s ASP 25 CO 0.86 -0.34 1.92 -0.74 -0.17 0.00 0.00 175.17 176.71 2jww h HIS 26 N 8.02 0.00 -0.73 -5.34 -0.00 -1.80 -3.25 115.15 112.04 2jww h HIS 26 Ca -0.06 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.45 2jww h HIS 26 Cb 1.12 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.39 2jww h HIS 26 CO 0.27 0.01 -0.20 0.87 -0.00 0.00 0.00 177.93 178.89 2jww h LYS 27 N 0.00 -0.01 -0.32 5.26 1.79 -1.93 1.77 116.57 123.12 2jww h LYS 27 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jww h LYS 27 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.23 2jww h LYS 27 CO 0.00 -0.01 0.19 0.87 -1.08 0.00 0.00 179.45 179.43 2jww h LYS 28 N -0.01 0.44 -0.21 3.15 1.79 -1.95 -0.54 116.57 119.24 2jww h LYS 28 Ca 0.35 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.84 2jww h LYS 28 Cb 0.54 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2jww h LYS 28 CO -0.76 0.34 0.18 0.35 -1.08 0.00 0.00 179.45 178.47 2jww h PHE 29 N 0.41 0.00 -0.10 -1.35 3.57 0.86 0.26 116.94 120.60 2jww h PHE 29 Ca 0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2jww h PHE 29 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2jww h PHE 29 CO -0.04 0.00 -0.04 0.35 -2.23 0.00 0.00 178.31 176.35 2jww h PHE 30 N 0.00 0.14 0.17 0.41 3.04 0.38 0.87 116.94 121.95 2jww h PHE 30 Ca 0.10 -0.00 -0.33 0.00 3.98 0.00 0.00 57.97 61.72 2jww h PHE 30 Cb 0.45 -0.04 0.01 0.00 2.56 0.00 0.00 35.95 38.93 2jww h PHE 30 CO 0.00 0.18 -1.61 1.96 -2.02 0.00 0.00 178.31 176.82 2jww h GLN 31 N 0.14 0.36 -0.11 1.11 4.20 -0.39 -2.95 115.11 117.47 2jww h GLN 31 Ca 0.03 -0.62 -0.16 0.00 0.06 0.00 0.00 58.65 57.97 2jww h GLN 31 Cb 0.16 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2jww h GLN 31 CO 0.01 1.30 -0.60 0.52 -0.67 0.00 0.00 178.83 179.39 2jww h MET 32 N -0.02 0.38 0.00 1.46 2.86 -0.97 -2.99 114.93 115.66 2jww h MET 32 Ca -0.32 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 2jww h MET 32 Cb 2.00 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.69 2jww h MET 32 CO 0.15 0.87 -0.03 -0.24 1.06 0.00 0.00 176.91 178.71 2jww h VAL 33 N 0.29 0.12 -0.00 -2.22 3.04 0.62 -3.41 116.25 114.69 2jww h VAL 33 Ca -0.00 -0.40 -0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2jww h VAL 33 Cb 1.12 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.75 2jww h VAL 33 CO 0.10 0.03 -0.00 0.61 -1.01 0.00 0.00 177.57 177.30 2jww n GLY 34 N -0.41 0.38 0.23 3.17 0.00 -1.13 -3.49 105.19 103.94 2jww n GLY 34 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.27 0.00 0.99 3.38 -1.78 -0.83 115.31 117.35 2jww h LEU 35 Ca -0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2jww h LEU 35 Cb 0.28 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2jww h LEU 35 CO 0.00 0.51 -0.06 0.29 0.09 0.00 0.00 178.44 179.28 2jww n LYS 36 N -4.17 0.16 -0.49 1.13 5.02 -1.25 -3.96 118.16 114.61 2jww n LYS 36 Ca -0.01 0.12 0.40 0.00 -2.02 0.00 0.00 58.31 56.81 2jww n LYS 36 Cb 0.35 -1.68 0.71 0.00 -0.02 0.00 0.00 35.03 34.39 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 0.00 0.07 0.00 1.97 3.11 -1.48 -3.42 116.57 116.81 2jww h LYS 37 Ca 0.00 -0.00 -0.43 0.00 -2.81 0.00 0.00 60.65 57.40 2jww h LYS 37 Cb 0.65 -0.01 -0.12 0.00 -1.00 0.00 0.00 32.23 31.75 2jww h LYS 37 CO 0.00 0.04 -0.43 1.63 -2.81 0.00 0.00 179.45 177.89 2jww n LYS 38 N -4.39 0.38 -0.61 1.90 5.02 -1.25 -5.11 118.16 114.08 2jww n LYS 38 Ca 0.37 -3.03 -0.30 0.00 -2.02 0.00 0.00 58.31 53.32 2jww n LYS 38 Cb 1.53 2.48 0.20 0.00 -0.02 0.00 0.00 35.03 39.22 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 -1.80 -1.49 0.25 4.39 7.64 -1.26 -4.84 113.62 116.50 2jww n SER 39 Ca 0.07 0.04 0.17 0.00 1.01 0.00 0.00 58.87 60.16 2jww n SER 39 Cb 0.55 -1.23 0.85 0.00 -1.01 0.00 0.00 64.21 63.36 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 -2.22 1.00 -0.18 -0.43 0.00 -1.93 -2.77 119.26 112.72 2jww h ALA 40 Ca -0.53 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2jww h ALA 40 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jww h ALA 40 CO 0.43 0.00 0.09 -0.44 0.00 0.00 0.00 179.25 179.33 2jww h ASP 41 N 0.00 0.24 0.24 0.00 3.32 -1.98 0.11 116.42 118.35 2jww h ASP 41 Ca 0.00 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2jww h ASP 41 Cb 0.16 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2jww h ASP 41 CO 0.00 0.30 -0.12 0.44 -1.72 0.00 0.00 179.24 178.14 2jww h ASP 42 N 0.17 -0.28 -0.85 6.45 5.19 -1.83 -2.73 116.42 122.55 2jww h ASP 42 Ca 0.06 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 2jww h ASP 42 Cb 0.12 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 39.65 2jww h ASP 42 CO -0.01 -0.15 0.56 -0.37 -3.12 0.00 0.00 179.24 176.15 2jww h VAL 43 N -0.38 1.17 -0.75 -1.35 -1.51 -1.61 -1.53 116.25 110.29 2jww h VAL 43 Ca -0.03 -0.37 0.22 0.00 -1.23 0.00 0.00 66.70 65.28 2jww h VAL 43 Cb 0.29 -0.02 -0.03 0.00 -2.13 0.00 0.00 31.29 29.40 2jww h VAL 43 CO 0.06 0.20 0.58 0.11 -1.23 0.00 0.00 177.57 177.29 2jww h LYS 44 N 1.09 0.00 -0.22 5.19 1.57 -0.47 -0.41 116.57 123.32 2jww h LYS 44 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2jww h LYS 44 Cb -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2jww h LYS 44 CO -0.09 0.00 0.15 0.87 -0.57 0.00 0.00 179.45 179.81 2jww h LYS 45 N 0.00 0.30 -0.69 3.15 6.56 -1.19 0.73 116.57 125.43 2jww h LYS 45 Ca 0.35 -0.02 0.16 0.00 -1.06 0.00 0.00 60.65 60.09 2jww h LYS 45 Cb 1.51 -0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 33.07 2jww h LYS 45 CO -0.00 0.20 0.47 -0.24 -2.06 0.00 0.00 179.45 177.82 2jww h VAL 46 N 0.30 0.74 -0.92 0.50 3.04 -1.21 0.57 116.25 119.28 2jww h VAL 46 Ca 0.08 -0.07 0.04 0.00 -1.01 0.00 0.00 66.70 65.74 2jww h VAL 46 Cb -0.03 0.51 -0.05 0.00 -2.01 0.00 0.00 31.29 29.71 2jww h VAL 46 CO -0.02 0.04 0.59 0.15 -1.01 0.00 0.00 177.57 177.32 2jww h PHE 47 N 0.21 1.11 -0.03 3.17 3.57 -0.81 -0.28 116.94 123.89 2jww h PHE 47 Ca 0.33 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.62 2jww h PHE 47 Cb 1.01 -0.37 0.01 0.00 2.79 0.00 0.00 35.95 39.40 2jww h PHE 47 CO -0.00 0.63 -0.96 1.25 -2.23 0.00 0.00 178.31 177.00 2jww h HIS 48 N 1.14 0.91 -0.48 0.41 2.76 0.38 0.84 115.15 121.11 2jww h HIS 48 Ca 0.37 -0.47 0.10 0.00 -2.20 0.00 0.00 60.37 58.16 2jww h HIS 48 Cb 0.02 -0.11 -0.09 0.00 1.55 0.00 0.00 27.41 28.78 2jww h HIS 48 CO -0.01 1.30 -0.09 0.82 -1.30 0.00 0.00 177.93 178.65 2jww h ILE 49 N 0.37 0.54 0.16 6.26 1.08 0.13 -2.57 117.51 123.48 2jww h ILE 49 Ca -0.10 -0.01 -0.27 0.00 -0.39 0.00 0.00 64.86 64.09 2jww h ILE 49 Cb 1.60 0.51 0.02 0.00 -3.07 0.00 0.00 36.82 35.88 2jww h ILE 49 CO 0.18 0.01 -1.30 0.17 -0.69 0.00 0.00 178.15 176.52 2jww h LEU 50 N 0.03 0.54 -7.60 1.44 8.10 -1.10 -3.43 115.31 113.30 2jww h LEU 50 Ca 0.24 -0.91 -0.66 0.00 0.11 0.00 0.00 57.88 56.66 2jww h LEU 50 Cb 0.36 -0.18 -0.40 0.00 -0.44 0.00 0.00 40.66 40.01 2jww h LEU 50 CO -0.47 1.60 -0.68 -1.81 -4.11 0.00 0.00 178.44 172.97 2jww s ASP 51 N -7.17 4.66 0.11 0.17 1.01 0.29 -4.98 116.67 110.76 2jww s ASP 51 Ca -0.15 -2.43 -0.22 0.00 0.71 0.00 0.00 52.55 50.46 2jww s ASP 51 Cb 0.03 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.23 2jww s ASP 51 CO 0.84 -0.34 1.71 0.07 0.21 0.00 0.00 175.17 177.66 2jww h LYS 52 N 7.28 -0.05 0.00 8.23 2.10 -1.68 -3.17 116.57 129.28 2jww h LYS 52 Ca -0.06 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.51 2jww h LYS 52 Cb 0.98 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.30 2jww h LYS 52 CO 0.58 -0.03 -2.07 -3.47 -2.00 0.00 0.00 179.45 172.47 2jww n ASP 53 N -5.17 0.14 0.00 7.07 -0.08 -1.26 -4.91 116.55 112.33 2jww n ASP 53 Ca -0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2jww n ASP 53 Cb 0.10 1.73 0.00 0.00 2.34 0.00 0.00 41.12 45.29 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2jww n LYS 54 N -2.36 -1.97 -2.16 -0.67 5.02 -1.20 -2.80 118.16 112.02 2jww n LYS 54 Ca -0.11 0.41 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2jww n LYS 54 Cb 0.70 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 2jww n LYS 54 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jww n SER 55 N -0.29 -0.80 0.00 4.39 3.41 -1.26 0.20 113.62 119.28 2jww n SER 55 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2jww n SER 55 Cb 0.41 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jww n GLY 56 N -0.40 3.07 3.64 5.00 0.00 -1.12 -4.91 105.19 110.46 2jww n GLY 56 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2jww n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jww s PHE 57 N -1.33 -0.20 -0.02 1.61 -0.12 0.55 -3.98 117.98 114.49 2jww s PHE 57 Ca 0.00 -0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.88 2jww s PHE 57 Cb 0.00 0.58 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2jww s PHE 57 CO 0.00 -0.62 0.03 0.42 -0.05 0.00 0.00 175.22 174.99 2jww s ILE 58 N -3.08 4.38 -0.27 -4.49 1.01 0.20 -4.84 121.20 114.11 2jww s ILE 58 Ca 0.10 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 2jww s ILE 58 Cb -0.01 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 2jww s ILE 58 CO -0.03 0.43 0.19 -1.61 0.00 0.00 0.00 174.94 173.92 2jww s GLU 59 N -1.45 3.98 0.41 2.79 8.01 -1.26 -1.29 118.70 129.90 2jww s GLU 59 Ca 0.19 -0.29 0.34 0.00 0.01 0.00 0.00 54.97 55.22 2jww s GLU 59 Cb -0.12 -3.63 1.34 0.00 -4.31 0.00 0.00 34.13 27.41 2jww s GLU 59 CO 0.09 -0.13 1.30 -0.85 0.01 0.00 0.00 175.26 175.68 2jww n GLU 60 N 4.90 -0.02 0.06 1.61 -0.00 -1.24 0.16 120.64 126.12 2jww n GLU 60 Ca -0.14 0.98 -0.13 0.00 -0.00 0.00 0.00 57.16 57.87 2jww n GLU 60 Cb 0.52 -2.07 -0.09 0.00 -0.00 0.00 0.00 31.44 29.80 2jww n GLU 60 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2jww h ASP 61 N 0.00 -0.15 1.65 -1.84 5.19 -1.92 -3.16 116.42 116.19 2jww h ASP 61 Ca 0.76 -0.29 -0.03 0.00 -0.62 0.00 0.00 57.03 56.84 2jww h ASP 61 Cb 2.74 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 42.28 2jww h ASP 61 CO -0.21 0.23 -0.36 -0.08 -3.12 0.00 0.00 179.24 175.70 2jww h GLU 62 N -0.54 0.00 -0.56 3.56 4.22 0.03 -3.34 114.58 117.95 2jww h GLU 62 Ca -0.02 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.53 2jww h GLU 62 Cb 0.43 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.57 2jww h GLU 62 CO 0.03 0.13 -0.17 1.25 -2.18 0.00 0.00 179.01 178.07 2jww h LEU 63 N 0.00 -0.61 -2.82 1.64 5.85 0.17 0.51 115.31 120.04 2jww h LEU 63 Ca -0.01 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2jww h LEU 63 Cb 1.12 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 2jww h LEU 63 CO 0.02 -0.21 0.03 1.23 -0.34 0.00 0.00 178.44 179.17 2jww h GLY 64 N -0.03 0.00 0.00 3.75 0.00 -1.67 0.15 103.07 105.26 2jww h GLY 64 Ca 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 2jww h GLY 64 CO -0.59 0.00 -0.47 0.23 0.00 0.00 0.00 176.54 175.71 2jww h SER 65 N 0.00 0.00 0.04 0.19 0.87 -0.32 -3.36 113.55 110.98 2jww h SER 65 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2jww h SER 65 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2jww h SER 65 CO -0.00 0.83 0.00 -0.29 -0.53 0.00 0.00 176.83 176.84 2jww h ILE 66 N -1.00 0.00 -0.99 2.23 6.09 -0.61 -2.59 117.51 120.64 2jww h ILE 66 Ca -0.06 -0.01 0.29 0.00 -1.37 0.00 0.00 64.86 63.71 2jww h ILE 66 Cb 0.55 0.59 -0.04 0.00 0.47 0.00 0.00 36.82 38.38 2jww h ILE 66 CO -0.03 0.00 0.78 -0.07 -3.07 0.00 0.00 178.15 175.75 2jww h LEU 67 N 0.00 0.00 -1.60 2.19 -0.00 -0.85 0.17 115.31 115.23 2jww h LEU 67 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 57.93 2jww h LEU 67 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2jww h LEU 67 CO 0.00 0.00 0.53 0.11 -0.00 0.00 0.00 178.44 179.08 2jww h LYS 68 N 0.00 0.00 -0.90 1.13 1.57 -1.72 -2.21 116.57 114.44 2jww h LYS 68 Ca 0.47 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.38 2jww h LYS 68 Cb 2.02 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.18 2jww h LYS 68 CO -0.00 0.00 -0.40 0.78 -0.57 0.00 0.00 179.45 179.25 2jww h GLY 69 N 0.00 -0.09 0.10 3.86 0.00 -0.93 1.27 103.07 107.29 2jww h GLY 69 Ca 0.08 0.54 -0.39 0.00 0.00 0.00 0.00 47.33 47.56 2jww h GLY 69 CO -0.00 -0.18 -2.36 1.97 0.00 0.00 0.00 176.54 175.98 2jww n PHE 70 N -5.44 0.26 1.30 5.60 -1.74 -0.88 -4.39 117.46 112.17 2jww n PHE 70 Ca 0.08 0.06 0.06 0.00 -0.56 0.00 0.00 57.45 57.09 2jww n PHE 70 Cb 0.38 -1.03 0.36 0.00 1.52 0.00 0.00 39.48 40.70 2jww n PHE 70 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 2jww n SER 71 N -3.52 0.00 -0.13 5.98 3.41 -0.89 -4.17 113.62 114.30 2jww n SER 71 Ca -0.45 -0.92 0.26 0.00 -0.26 0.00 0.00 58.87 57.50 2jww n SER 71 Cb 0.97 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.44 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2jww h SER 72 N 0.00 0.00 -0.94 4.04 0.87 0.14 1.54 113.55 119.20 2jww h SER 72 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 2jww h SER 72 Cb 0.00 0.00 -0.35 0.00 -0.44 0.00 0.00 62.40 61.61 2jww h SER 72 CO 0.00 0.00 0.20 -0.90 -0.53 0.00 0.00 176.83 175.60 2jww n ASP 73 N -3.35 6.58 0.00 6.23 5.75 -1.26 -4.95 116.55 125.54 2jww n ASP 73 Ca 0.19 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.19 2jww n ASP 73 Cb 1.29 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jww n ALA 74 N -0.82 0.00 -2.00 2.12 0.00 0.53 -3.81 120.51 116.53 2jww n ALA 74 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2jww n ALA 74 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 -5.06 116.66 112.09 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 0.00 0.00 -4.64 0.55 5.75 -1.26 -4.74 116.55 112.21 2jww n ASP 76 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2jww n ASP 76 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 2jww n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2jww s LEU 77 N 0.00 4.07 0.00 -2.12 1.02 -1.26 -4.87 118.68 115.51 2jww s LEU 77 Ca 0.00 2.03 -0.00 0.00 0.02 0.00 0.00 54.13 56.17 2jww s LEU 77 Cb 0.00 -3.53 0.07 0.00 0.02 0.00 0.00 46.19 42.75 2jww s LEU 77 CO 0.00 -1.20 0.49 -0.24 0.02 0.00 0.00 176.35 175.41 2jww n SER 78 N 8.27 0.63 -0.20 2.29 2.88 -1.25 -4.68 113.62 121.57 2jww n SER 78 Ca 0.20 -1.54 -0.02 0.00 -1.33 0.00 0.00 58.87 56.18 2jww n SER 78 Cb 0.44 -0.32 0.05 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.56 0.35 -0.34 -1.46 0.00 -1.94 0.73 119.26 116.03 2jww h ALA 79 Ca -0.16 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2jww h ALA 79 Cb 0.59 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2jww h ALA 79 CO 0.17 -0.46 -0.03 0.87 0.00 0.00 0.00 179.25 179.81 2jww h LYS 80 N -0.02 0.06 -0.03 0.00 1.79 -1.87 -1.80 116.57 114.70 2jww h LYS 80 Ca 0.28 -0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.61 2jww h LYS 80 Cb 0.45 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.07 2jww h LYS 80 CO -0.62 0.04 -0.59 0.93 -1.08 0.00 0.00 179.45 178.13 2jww h GLU 81 N 0.06 0.11 0.04 3.15 5.08 -1.10 0.96 114.58 122.89 2jww h GLU 81 Ca 0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jww h GLU 81 Cb 0.23 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2jww h GLU 81 CO -0.30 0.67 -0.04 1.15 -1.00 0.00 0.00 179.01 179.49 2jww h THR 82 N 0.08 0.91 0.00 1.13 2.02 0.10 1.68 112.91 118.84 2jww h THR 82 Ca -0.01 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 2jww h THR 82 Cb 1.06 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2jww h THR 82 CO 0.08 0.00 -0.80 0.11 0.37 0.00 0.00 175.52 175.28 2jww h LYS 83 N -0.09 0.00 0.00 6.66 1.79 -1.26 -2.49 116.57 121.18 2jww h LYS 83 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jww h LYS 83 Cb 0.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2jww h LYS 83 CO -0.01 0.80 -0.53 1.15 -1.08 0.00 0.00 179.45 179.79 2jww h THR 84 N 0.00 0.17 0.00 -0.16 2.02 0.14 -3.36 112.91 111.73 2jww h THR 84 Ca -0.01 -1.20 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2jww h THR 84 Cb 1.42 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2jww h THR 84 CO 0.10 0.06 -0.02 0.25 0.37 0.00 0.00 175.52 176.28 2jww h LEU 85 N -1.00 0.00 0.19 2.58 5.85 0.23 -2.15 115.31 121.01 2jww h LEU 85 Ca -0.05 -0.95 -0.01 0.00 0.84 0.00 0.00 57.88 57.71 2jww h LEU 85 Cb 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2jww h LEU 85 CO -0.03 0.99 -0.09 0.24 -0.34 0.00 0.00 178.44 179.21 2jww h MET 86 N -1.00 -0.24 -0.77 1.25 2.86 -1.10 0.76 114.93 116.68 2jww h MET 86 Ca -0.01 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 2jww h MET 86 Cb 0.97 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 2jww h MET 86 CO -0.00 -0.01 0.38 0.00 1.06 0.00 0.00 176.91 178.34 2jww h ALA 87 N 0.32 1.00 -0.08 6.32 0.00 -1.58 -2.01 119.26 123.22 2jww h ALA 87 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2jww h ALA 87 Cb 0.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2jww h ALA 87 CO 0.04 0.55 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 2jww h ALA 88 N 1.20 0.12 -1.12 0.00 0.00 -1.31 -3.06 119.26 115.09 2jww h ALA 88 Ca 0.27 -0.32 0.31 0.00 0.00 0.00 0.00 54.91 55.17 2jww h ALA 88 Cb 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2jww h ALA 88 CO -0.04 -0.02 0.73 0.78 0.00 0.00 0.00 179.25 180.70 2jww h GLY 89 N -0.24 1.15 -3.75 0.00 0.00 0.77 0.13 103.07 101.12 2jww h GLY 89 Ca 0.01 -0.17 -0.52 0.00 0.00 0.00 0.00 47.33 46.65 2jww h GLY 89 CO 0.03 -0.19 0.67 2.09 0.00 0.00 0.00 176.54 179.13 2jww n ASP 90 N -4.61 6.63 -0.44 0.19 5.68 -0.78 -3.55 116.55 119.67 2jww n ASP 90 Ca 0.28 -3.46 0.35 0.00 -0.50 0.00 0.00 54.79 51.46 2jww n ASP 90 Cb 1.04 -0.97 0.55 0.00 -1.14 0.00 0.00 41.12 40.60 2jww n ASP 90 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2jww n LYS 91 N -0.47 -0.01 -1.63 0.11 4.76 0.44 0.24 118.16 121.60 2jww n LYS 91 Ca 0.49 0.83 -0.19 0.00 -2.87 0.00 0.00 58.31 56.57 2jww n LYS 91 Cb 0.76 -1.79 0.07 0.00 -1.84 0.00 0.00 35.03 32.23 2jww n LYS 91 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2jww n ASP 92 N -3.68 4.53 -0.78 4.39 5.75 -1.26 -5.03 116.55 120.48 2jww n ASP 92 Ca 0.31 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.31 2jww n ASP 92 Cb 1.32 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 2jww n ASP 92 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2jww n GLY 93 N -0.83 5.12 0.66 6.12 0.00 0.65 -5.06 105.19 111.85 2jww n GLY 93 Ca 0.41 -1.80 0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.17 3.41 0.00 1.61 9.92 -1.26 -4.90 116.55 124.16 2jww n ASP 94 Ca 0.00 -2.92 0.00 0.00 -0.53 0.00 0.00 54.79 51.34 2jww n ASP 94 Cb 0.00 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jww n GLY 95 N -0.63 0.93 3.28 0.44 0.00 -1.26 -5.10 105.19 102.86 2jww n GLY 95 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 0.13 0.48 -0.34 1.61 1.02 -1.26 -3.67 119.74 117.72 2jww s LYS 96 Ca 0.00 0.47 -0.08 0.00 0.02 0.00 0.00 55.97 56.38 2jww s LYS 96 Cb 0.00 0.23 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2jww s LYS 96 CO 0.00 -0.07 0.14 0.42 -0.92 0.00 0.00 175.35 174.92 2jww s ILE 97 N 0.06 4.19 0.00 2.17 1.01 -0.41 -4.49 121.20 123.73 2jww s ILE 97 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.80 2jww s ILE 97 Cb -0.03 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.16 2jww s ILE 97 CO 0.01 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2jww n GLY 98 N 4.91 4.10 0.20 6.18 0.00 -1.26 0.59 105.19 119.91 2jww n GLY 98 Ca -0.13 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.83 2jww n GLY 98 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jww h VAL 99 N 0.00 1.29 0.08 1.61 3.04 -1.92 -2.67 116.25 117.68 2jww h VAL 99 Ca 0.00 -1.28 -0.00 0.00 -1.01 0.00 0.00 66.70 64.41 2jww h VAL 99 Cb 0.00 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2jww h VAL 99 CO 0.00 0.41 -0.04 1.05 -1.01 0.00 0.00 177.57 177.98 2jww h GLU 100 N 0.42 -0.10 -0.49 4.17 4.11 -1.96 -3.28 114.58 117.45 2jww h GLU 100 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.56 2jww h GLU 100 Cb 0.70 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2jww h GLU 100 CO 0.05 0.42 0.33 0.93 0.07 0.00 0.00 179.01 180.81 2jww h GLU 101 N -0.70 0.41 -0.25 1.06 3.07 -1.87 -0.48 114.58 115.83 2jww h GLU 101 Ca -0.01 -0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.90 2jww h GLU 101 Cb 0.57 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 2jww h GLU 101 CO 0.02 0.27 0.42 0.35 -1.40 0.00 0.00 179.01 178.67 2jww h PHE 102 N 0.43 0.00 -0.07 4.33 3.57 -1.53 0.72 116.94 124.39 2jww h PHE 102 Ca 0.21 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.48 2jww h PHE 102 Cb 0.30 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.05 2jww h PHE 102 CO -0.00 0.00 -0.88 1.03 -2.23 0.00 0.00 178.31 176.23 2jww h SER 103 N 0.00 0.83 -0.64 0.41 0.87 -1.23 -3.27 113.55 110.52 2jww h SER 103 Ca 0.12 -0.60 -0.01 0.00 -1.23 0.00 0.00 61.79 60.06 2jww h SER 103 Cb 0.95 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2jww h SER 103 CO -0.00 1.40 0.35 0.74 -0.53 0.00 0.00 176.83 178.79 2jww h THR 104 N 0.43 1.20 -0.05 2.23 2.02 0.35 -1.65 112.91 117.44 2jww h THR 104 Ca -0.08 -0.51 0.01 0.00 0.77 0.00 0.00 66.41 66.61 2jww h THR 104 Cb 1.52 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jww h THR 104 CO 0.17 0.22 0.08 0.17 0.37 0.00 0.00 175.52 176.53 2jww h LEU 105 N 0.87 0.00 -0.33 2.58 -0.00 -1.46 0.99 115.31 117.97 2jww h LEU 105 Ca 0.23 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.91 2jww h LEU 105 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2jww h LEU 105 CO -0.04 0.00 -0.80 0.58 -0.00 0.00 0.00 178.44 178.18 2jww h VAL 106 N 0.00 1.40 0.00 0.15 2.07 -1.35 -2.87 116.25 115.65 2jww h VAL 106 Ca 0.02 -2.28 -0.15 0.00 0.82 0.00 0.00 66.70 65.11 2jww h VAL 106 Cb 0.18 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2jww h VAL 106 CO -0.00 0.68 -0.76 0.00 0.02 0.00 0.00 177.57 177.51 2jww h ALA 107 N 0.89 0.55 0.20 1.67 0.00 -0.84 -3.36 119.26 118.37 2jww h ALA 107 Ca -0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2jww h ALA 107 Cb 1.40 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2jww h ALA 107 CO 0.14 0.90 -0.10 0.93 0.00 0.00 0.00 179.25 181.12 2jww h GLU 108 N 0.00 -0.26 0.00 0.00 5.08 -0.86 -3.52 114.58 115.02 2jww h GLU 108 Ca -0.02 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jww h GLU 108 Cb 1.56 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.87 2jww h GLU 108 CO 0.09 -0.17 0.00 -1.13 -1.00 0.00 0.00 179.01 176.80