#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 4.26 0.04 4.33 0.00 -1.26 -4.69 117.12 119.80 2jww n MET 2 Ca 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 57.70 53.11 2jww n MET 2 Cb 0.00 -2.46 -0.07 0.00 0.00 0.00 0.00 33.22 30.68 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 3.27 0.52 0.00 1.12 1.35 -1.96 -2.29 112.91 114.93 2jww h THR 3 Ca 0.23 -2.00 -0.09 0.00 -0.55 0.00 0.00 66.41 64.00 2jww h THR 3 Cb 0.59 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 2jww h THR 3 CO 1.24 0.30 -0.41 0.44 -0.25 0.00 0.00 175.52 176.84 2jww h ASP 4 N 0.00 0.00 0.00 5.36 5.19 -2.01 -3.38 116.42 121.58 2jww h ASP 4 Ca -0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2jww h ASP 4 Cb 1.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.07 2jww h ASP 4 CO 0.05 0.41 -0.22 0.18 -3.12 0.00 0.00 179.24 176.53 2jww n LEU 5 N -4.04 0.47 -4.82 1.55 7.99 -1.25 -5.02 117.00 111.87 2jww n LEU 5 Ca -0.02 0.08 -0.32 0.00 -0.01 0.00 0.00 56.01 55.74 2jww n LEU 5 Cb 0.44 -0.51 0.02 0.00 -0.11 0.00 0.00 43.42 43.26 2jww n LEU 5 CO 0.39 -0.46 0.71 -0.76 -1.51 0.00 0.00 177.39 175.77 2jww s LEU 6 N -5.71 3.36 -0.29 2.23 1.43 -0.86 -4.95 118.68 113.90 2jww s LEU 6 Ca -0.07 1.68 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 2jww s LEU 6 Cb 0.01 -4.51 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 2jww s LEU 6 CO 0.10 -1.17 1.78 -0.44 0.23 0.00 0.00 176.35 176.85 2jww s SER 7 N -3.30 6.00 0.50 2.29 0.01 -1.26 -4.29 113.70 113.65 2jww s SER 7 Ca 0.60 1.44 0.22 0.00 1.31 0.00 0.00 55.95 59.52 2jww s SER 7 Cb -0.14 -2.53 1.29 0.00 0.21 0.00 0.00 66.02 64.85 2jww s SER 7 CO 0.44 -1.60 1.99 0.00 0.41 0.00 0.00 173.24 174.48 2jww h ALA 8 N 12.43 2.35 -0.01 1.44 0.00 -1.84 -2.01 119.26 131.62 2jww h ALA 8 Ca -0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 2jww h ALA 8 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jww h ALA 8 CO 1.02 -0.50 -0.11 1.05 0.00 0.00 0.00 179.25 180.71 2jww h GLU 9 N 0.12 0.09 -0.19 0.00 4.11 -1.94 -2.49 114.58 114.28 2jww h GLU 9 Ca 0.26 -0.09 0.05 0.00 0.07 0.00 0.00 59.36 59.65 2jww h GLU 9 Cb 0.86 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.07 2jww h GLU 9 CO -0.03 0.81 -0.21 -0.44 0.07 0.00 0.00 179.01 179.22 2jww h ASP 10 N -0.60 -0.66 0.39 3.06 5.19 -1.63 0.91 116.42 123.09 2jww h ASP 10 Ca -0.01 0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.50 2jww h ASP 10 Cb 0.85 0.31 0.00 0.00 0.18 0.00 0.00 39.33 40.67 2jww h ASP 10 CO 0.02 -0.25 -0.20 0.40 -3.12 0.00 0.00 179.24 176.10 2jww h ILE 11 N -0.23 0.60 -0.21 0.35 2.04 -0.71 1.29 117.51 120.64 2jww h ILE 11 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.98 2jww h ILE 11 Cb 0.41 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2jww h ILE 11 CO -0.33 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.06 2jww h LYS 12 N -0.54 0.28 0.20 2.37 1.57 -1.15 0.66 116.57 119.96 2jww h LYS 12 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2jww h LYS 12 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2jww h LYS 12 CO 0.08 0.21 -0.09 0.87 -0.57 0.00 0.00 179.45 179.95 2jww h LYS 13 N 0.27 -0.26 -0.09 3.15 1.57 0.97 -2.46 116.57 119.73 2jww h LYS 13 Ca 0.08 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2jww h LYS 13 Cb -0.00 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2jww h LYS 13 CO -0.02 -0.04 0.04 0.00 -0.57 0.00 0.00 179.45 178.87 2jww h ALA 14 N 0.33 0.11 -0.57 3.86 0.00 0.18 1.22 119.26 124.39 2jww h ALA 14 Ca -0.03 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2jww h ALA 14 Cb 0.34 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 2jww h ALA 14 CO 0.04 -0.32 0.20 0.82 0.00 0.00 0.00 179.25 179.99 2jww h ILE 15 N 0.01 0.77 -0.01 0.00 2.04 0.30 -2.27 117.51 118.35 2jww h ILE 15 Ca 0.03 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2jww h ILE 15 Cb 0.13 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2jww h ILE 15 CO -0.00 0.07 -0.32 0.61 0.00 0.00 0.00 178.15 178.50 2jww n GLY 16 N -1.29 -0.08 0.16 5.37 0.00 -0.93 -4.35 105.19 104.07 2jww n GLY 16 Ca 0.07 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.34 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 3.94 0.05 -3.13 4.61 0.00 0.21 -3.47 119.26 121.47 2jww h ALA 17 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.09 2jww h ALA 17 Cb 0.68 0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.28 2jww h ALA 17 CO 0.00 0.51 -0.43 -0.59 0.00 0.00 0.00 179.25 178.74 2jww s PHE 18 N -3.10 -0.26 -0.56 0.00 -0.71 -1.16 -5.02 117.98 107.16 2jww s PHE 18 Ca -0.12 0.63 0.24 0.00 -1.04 0.00 0.00 56.93 56.64 2jww s PHE 18 Cb 0.04 0.09 0.32 0.00 -1.21 0.00 0.00 43.02 42.26 2jww s PHE 18 CO 0.87 -0.13 1.32 1.79 -1.34 0.00 0.00 175.22 177.73 2jww h THR 19 N 4.74 0.00 -1.24 -4.49 1.35 -1.89 -3.34 112.91 108.04 2jww h THR 19 Ca -0.26 -0.62 0.36 0.00 -0.55 0.00 0.00 66.41 65.34 2jww h THR 19 Cb 1.19 1.25 -0.05 0.00 -1.73 0.00 0.00 68.15 68.81 2jww h THR 19 CO 0.36 0.00 0.99 0.00 -0.25 0.00 0.00 175.52 176.61 2jww h ALA 20 N 2.38 3.14 0.14 6.62 0.00 -1.95 0.97 119.26 130.56 2jww h ALA 20 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jww h ALA 20 Cb 0.81 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2jww h ALA 20 CO 0.00 -1.62 -0.26 0.00 0.00 0.00 0.00 179.25 177.36 2jww h ALA 21 N 1.19 -0.85 0.00 0.00 0.00 -1.74 0.17 119.26 118.02 2jww h ALA 21 Ca 0.59 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 2jww h ALA 21 Cb 2.56 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 20.94 2jww h ALA 21 CO -0.01 -0.90 -0.30 0.38 0.00 0.00 0.00 179.25 178.43 2jww h ASP 22 N -0.44 0.00 0.27 0.00 3.04 -1.56 0.55 116.42 118.28 2jww h ASP 22 Ca -0.02 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.76 2jww h ASP 22 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.70 2jww h ASP 22 CO -0.10 0.30 -0.13 -1.28 -2.04 0.00 0.00 179.24 175.99 2jww h SER 23 N 0.00 -0.30 0.00 4.15 0.87 -0.61 -3.41 113.55 114.24 2jww h SER 23 Ca -0.00 0.01 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 2jww h SER 23 Cb 1.15 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 63.13 2jww h SER 23 CO 0.04 -0.15 -2.04 2.22 -0.53 0.00 0.00 176.83 176.37 2jww n PHE 24 N -3.34 0.26 -3.56 2.24 1.16 0.55 -4.87 117.46 109.90 2jww n PHE 24 Ca -0.04 0.11 -0.01 0.00 -1.87 0.00 0.00 57.45 55.64 2jww n PHE 24 Cb 0.14 -0.97 -0.06 0.00 -1.61 0.00 0.00 39.48 36.99 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 -7.14 -0.49 0.02 5.98 2.15 -0.81 -4.47 116.67 111.90 2jww s ASP 25 Ca -0.35 0.74 0.16 0.00 0.43 0.00 0.00 52.55 53.54 2jww s ASP 25 Cb 0.11 1.34 0.69 0.00 -0.30 0.00 0.00 42.92 44.77 2jww s ASP 25 CO 0.50 -0.11 1.52 1.41 -0.17 0.00 0.00 175.17 178.31 2jww n HIS 26 N 4.09 0.07 -0.23 -5.34 8.25 0.19 -3.72 115.22 118.54 2jww n HIS 26 Ca -0.15 0.03 -0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2jww n HIS 26 Cb 0.56 -0.54 0.07 0.00 1.12 0.00 0.00 29.99 31.19 2jww n HIS 26 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2jww h LYS 27 N 0.00 -0.01 -0.34 -0.41 1.63 -1.94 1.10 116.57 116.61 2jww h LYS 27 Ca 0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 2jww h LYS 27 Cb 0.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2jww h LYS 27 CO 0.00 -0.00 0.05 0.87 -3.45 0.00 0.00 179.45 176.91 2jww h LYS 28 N -0.01 0.57 -0.62 1.90 1.79 -1.88 -2.21 116.57 116.11 2jww h LYS 28 Ca 0.32 -0.16 0.16 0.00 -2.18 0.00 0.00 60.65 58.79 2jww h LYS 28 Cb 0.49 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.05 2jww h LYS 28 CO -0.69 0.66 0.43 0.35 -1.08 0.00 0.00 179.45 179.12 2jww h PHE 29 N 0.40 0.14 -0.12 -1.35 3.57 -0.59 0.33 116.94 119.32 2jww h PHE 29 Ca 0.10 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2jww h PHE 29 Cb 0.37 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2jww h PHE 29 CO 0.03 0.05 0.08 0.35 -2.23 0.00 0.00 178.31 176.59 2jww h PHE 30 N 0.12 0.13 0.16 0.41 3.57 0.17 1.26 116.94 122.75 2jww h PHE 30 Ca 0.30 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.52 2jww h PHE 30 Cb 1.01 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.72 2jww h PHE 30 CO -0.00 0.08 -1.39 1.96 -2.23 0.00 0.00 178.31 176.73 2jww h GLN 31 N 0.13 0.33 -0.05 1.11 4.20 -0.40 -2.86 115.11 117.57 2jww h GLN 31 Ca 0.05 -0.57 -0.17 0.00 0.06 0.00 0.00 58.65 58.02 2jww h GLN 31 Cb 0.02 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2jww h GLN 31 CO -0.01 1.27 -0.72 0.52 -0.67 0.00 0.00 178.83 179.22 2jww h MET 32 N -0.16 0.25 0.00 1.46 0.00 -0.83 -3.14 114.93 112.51 2jww h MET 32 Ca -0.28 -0.21 -0.03 0.00 0.00 0.00 0.00 59.70 59.18 2jww h MET 32 Cb 1.87 0.05 -0.00 0.00 0.00 0.00 0.00 31.60 33.52 2jww h MET 32 CO 0.14 0.87 -0.14 -0.24 0.00 0.00 0.00 176.91 177.54 2jww h VAL 33 N 0.17 0.59 0.00 -2.22 3.04 0.14 -3.38 116.25 114.60 2jww h VAL 33 Ca -0.02 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2jww h VAL 33 Cb 1.28 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.95 2jww h VAL 33 CO 0.11 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 2jww n GLY 34 N -0.62 0.99 0.24 3.17 0.00 -1.19 -1.68 105.19 106.10 2jww n GLY 34 Ca -0.02 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.29 -0.57 0.99 3.38 -1.76 -0.89 115.31 116.75 2jww h LEU 35 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jww h LEU 35 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2jww h LEU 35 CO 0.00 0.49 0.00 0.29 0.09 0.00 0.00 178.44 179.31 2jww n LYS 36 N -4.21 1.35 -0.15 1.13 5.02 -1.23 -4.19 118.16 115.88 2jww n LYS 36 Ca -0.00 -0.53 -0.03 0.00 -2.02 0.00 0.00 58.31 55.73 2jww n LYS 36 Cb 0.32 -1.13 0.04 0.00 -0.02 0.00 0.00 35.03 34.24 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 0.05 0.00 1.97 3.11 -1.50 -3.45 116.57 117.60 2jww h LYS 37 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2jww h LYS 37 Cb 0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.43 2jww h LYS 37 CO 0.00 0.03 0.00 1.17 -2.81 0.00 0.00 179.45 177.85 2jww n LYS 38 N -5.29 0.63 -0.30 1.90 4.81 -1.26 -5.14 118.16 113.52 2jww n LYS 38 Ca 0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.21 2jww n LYS 38 Cb 0.26 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.57 2jww n LYS 38 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2jww n SER 39 N -0.33 -3.86 0.01 3.14 7.64 -1.26 -4.83 113.62 114.14 2jww n SER 39 Ca 0.00 -0.75 0.06 0.00 1.01 0.00 0.00 58.87 59.19 2jww n SER 39 Cb 0.00 -0.97 0.25 0.00 -1.01 0.00 0.00 64.21 62.49 2jww n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww n ALA 40 N -5.52 1.48 -0.20 -0.43 0.00 -1.26 -2.91 120.51 111.68 2jww n ALA 40 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 2jww n ALA 40 Cb 0.54 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.82 2jww n ALA 40 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2jww h ASP 41 N 0.00 0.75 0.14 0.00 3.58 -1.97 0.29 116.42 119.21 2jww h ASP 41 Ca 0.00 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2jww h ASP 41 Cb 0.19 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2jww h ASP 41 CO 0.00 0.69 -0.07 0.44 -2.88 0.00 0.00 179.24 177.42 2jww h ASP 42 N 0.77 -0.16 -0.88 2.28 5.19 -1.86 -1.35 116.42 120.40 2jww h ASP 42 Ca 0.19 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2jww h ASP 42 Cb 0.15 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.66 2jww h ASP 42 CO -0.02 0.16 0.52 -0.37 -3.12 0.00 0.00 179.24 176.41 2jww h VAL 43 N -0.50 1.25 -0.20 -1.35 -1.51 -1.68 -1.31 116.25 110.95 2jww h VAL 43 Ca -0.02 -0.57 -0.04 0.00 -1.23 0.00 0.00 66.70 64.85 2jww h VAL 43 Cb 0.39 0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 2jww h VAL 43 CO 0.03 0.27 -0.04 0.11 -1.23 0.00 0.00 177.57 176.71 2jww h LYS 44 N 1.23 0.30 0.53 5.19 1.57 -0.36 -1.27 116.57 123.76 2jww h LYS 44 Ca 0.32 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 2jww h LYS 44 Cb -0.03 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.24 2jww h LYS 44 CO -0.06 0.36 -0.25 0.87 -0.57 0.00 0.00 179.45 179.80 2jww h LYS 45 N 0.29 -0.68 -0.42 3.15 1.57 -0.13 -0.38 116.57 119.96 2jww h LYS 45 Ca 0.07 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 59.02 2jww h LYS 45 Cb 0.26 0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 2jww h LYS 45 CO 0.01 -0.40 0.36 -0.24 -0.57 0.00 0.00 179.45 178.61 2jww h VAL 46 N -1.10 0.58 0.01 0.50 3.04 -1.27 0.35 116.25 118.36 2jww h VAL 46 Ca -0.07 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.42 2jww h VAL 46 Cb 0.60 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.61 2jww h VAL 46 CO 0.12 0.00 -0.90 0.15 -1.01 0.00 0.00 177.57 175.93 2jww h PHE 47 N 0.00 0.26 -0.31 3.17 3.57 -1.03 -3.15 116.94 119.45 2jww h PHE 47 Ca 0.20 -0.15 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 2jww h PHE 47 Cb 0.92 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2jww h PHE 47 CO 0.00 0.98 -0.31 0.45 -2.23 0.00 0.00 178.31 177.20 2jww h HIS 48 N 0.09 0.75 -0.14 0.41 3.86 0.14 1.62 115.15 121.88 2jww h HIS 48 Ca -0.04 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.01 2jww h HIS 48 Cb 1.55 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 29.82 2jww h HIS 48 CO 0.03 0.88 -0.06 0.82 0.86 0.00 0.00 177.93 180.46 2jww h ILE 49 N 0.56 0.81 0.04 2.45 1.08 -1.30 0.19 117.51 121.33 2jww h ILE 49 Ca 0.07 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.28 2jww h ILE 49 Cb 0.81 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 2jww h ILE 49 CO 0.07 0.00 -1.31 0.17 -0.69 0.00 0.00 178.15 176.38 2jww h LEU 50 N -0.04 0.13 -1.39 1.44 8.10 -1.49 -3.29 115.31 118.76 2jww h LEU 50 Ca 0.07 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.90 2jww h LEU 50 Cb 0.15 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2jww h LEU 50 CO -0.16 1.14 0.00 -0.67 -4.11 0.00 0.00 178.44 174.63 2jww n ASP 51 N -3.32 2.01 0.08 0.17 -0.08 0.55 -4.15 116.55 111.81 2jww n ASP 51 Ca -0.09 -2.13 0.02 0.00 -1.51 0.00 0.00 54.79 51.09 2jww n ASP 51 Cb 1.00 -0.33 0.39 0.00 2.34 0.00 0.00 41.12 44.52 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 1.66 0.34 -0.38 -0.67 2.10 -0.70 -2.62 116.57 116.29 2jww h LYS 52 Ca 0.00 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 58.43 2jww h LYS 52 Cb 0.63 -0.05 -0.09 0.00 -0.90 0.00 0.00 32.23 31.81 2jww h LYS 52 CO 0.07 0.40 0.01 -0.25 -2.00 0.00 0.00 179.45 177.68 2jww n ASP 53 N -4.32 3.07 -0.31 7.07 8.00 -1.26 -4.45 116.55 124.36 2jww n ASP 53 Ca 0.00 -3.51 0.04 0.00 0.71 0.00 0.00 54.79 52.03 2jww n ASP 53 Cb 0.22 -0.63 0.04 0.00 -0.02 0.00 0.00 41.12 40.73 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jww n LYS 54 N -0.92 0.40 -1.74 -1.24 4.76 -0.99 -4.99 118.16 113.45 2jww n LYS 54 Ca 0.32 -1.06 -0.15 0.00 -2.87 0.00 0.00 58.31 54.56 2jww n LYS 54 Cb 1.05 -1.14 -0.04 0.00 -1.84 0.00 0.00 35.03 33.06 2jww n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2jww n SER 55 N 0.37 -4.64 0.00 4.39 7.64 -1.25 -2.13 113.62 118.00 2jww n SER 55 Ca 0.05 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2jww n SER 55 Cb 0.21 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jww n GLY 56 N -1.12 1.43 2.87 0.23 0.00 -1.25 -5.02 105.19 102.32 2jww n GLY 56 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.46 0.72 0.03 1.61 0.08 -0.91 -3.16 117.98 113.88 2jww s PHE 57 Ca 0.00 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.90 2jww s PHE 57 Cb 0.00 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 2jww s PHE 57 CO 0.00 -0.22 -0.08 0.42 -0.10 0.00 0.00 175.22 175.24 2jww s ILE 58 N 1.13 3.52 -0.26 0.64 1.01 -1.22 -4.75 121.20 121.27 2jww s ILE 58 Ca -0.08 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 2jww s ILE 58 Cb -0.14 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 2jww s ILE 58 CO -0.01 0.34 0.17 -1.61 0.00 0.00 0.00 174.94 173.82 2jww s GLU 59 N -1.57 3.97 0.45 2.79 2.02 -1.26 -2.64 118.70 122.46 2jww s GLU 59 Ca 0.18 -0.31 0.38 0.00 0.02 0.00 0.00 54.97 55.23 2jww s GLU 59 Cb -0.11 -3.58 1.47 0.00 0.10 0.00 0.00 34.13 32.00 2jww s GLU 59 CO 0.09 -0.08 1.42 -0.85 0.02 0.00 0.00 175.26 175.85 2jww n GLU 60 N 4.73 -0.02 0.06 1.61 0.28 -1.05 0.15 120.64 126.40 2jww n GLU 60 Ca -0.15 1.06 -0.12 0.00 -0.16 0.00 0.00 57.16 57.80 2jww n GLU 60 Cb 0.52 -2.26 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 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 -0.16 1.73 -1.84 5.19 -1.92 -3.16 116.42 116.25 2jww h ASP 61 Ca 0.83 -0.35 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 2jww h ASP 61 Cb 3.01 0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.56 2jww h ASP 61 CO -0.22 0.31 0.00 -0.33 -3.12 0.00 0.00 179.24 175.88 2jww h GLU 62 N -0.67 0.00 -0.77 3.56 5.08 -0.53 -3.30 114.58 117.95 2jww h GLU 62 Ca -0.02 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.52 2jww h GLU 62 Cb 0.50 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 2jww h GLU 62 CO 0.03 0.00 0.12 1.25 -1.00 0.00 0.00 179.01 179.41 2jww h LEU 63 N 0.00 -0.14 -2.00 1.33 7.12 0.15 0.22 115.31 121.99 2jww h LEU 63 Ca 0.00 0.18 0.19 0.00 0.13 0.00 0.00 57.88 58.38 2jww h LEU 63 Cb 0.86 0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 41.24 2jww h LEU 63 CO 0.00 -0.12 0.48 1.23 -0.13 0.00 0.00 178.44 179.90 2jww h GLY 64 N 0.19 0.00 0.00 3.75 0.00 -1.65 0.53 103.07 105.89 2jww h GLY 64 Ca 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 2jww h GLY 64 CO -0.60 0.00 -0.00 0.23 0.00 0.00 0.00 176.54 176.17 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.87 -0.81 -3.30 113.55 110.49 2jww h SER 65 Ca 0.32 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2jww h SER 65 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2jww h SER 65 CO -0.00 0.56 0.05 -0.29 -0.53 0.00 0.00 176.83 176.62 2jww h ILE 66 N -1.00 0.00 -1.09 2.23 6.09 -0.97 -2.58 117.51 120.19 2jww h ILE 66 Ca -0.00 0.00 0.32 0.00 -1.37 0.00 0.00 64.86 63.81 2jww h ILE 66 Cb 0.13 0.66 -0.04 0.00 0.47 0.00 0.00 36.82 38.04 2jww h ILE 66 CO -0.00 0.00 0.97 -0.07 -3.07 0.00 0.00 178.15 175.98 2jww h LEU 67 N 0.00 0.00 -1.29 2.19 3.38 -0.02 -1.06 115.31 118.51 2jww h LEU 67 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2jww h LEU 67 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2jww h LEU 67 CO 0.00 0.00 0.68 0.11 0.09 0.00 0.00 178.44 179.32 2jww h LYS 68 N 0.00 0.00 -0.71 1.13 1.57 -1.70 -0.40 116.57 116.46 2jww h LYS 68 Ca 0.52 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.39 2jww h LYS 68 Cb 2.45 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 34.65 2jww h LYS 68 CO -0.01 0.00 -0.50 0.78 -0.57 0.00 0.00 179.45 179.16 2jww h GLY 69 N 0.00 -0.61 0.06 3.86 0.00 -1.49 0.57 103.07 105.46 2jww h GLY 69 Ca 0.11 0.65 -0.40 0.00 0.00 0.00 0.00 47.33 47.70 2jww h GLY 69 CO -0.00 -0.10 -2.42 1.97 0.00 0.00 0.00 176.54 175.99 2jww n PHE 70 N -5.37 0.14 0.95 5.60 -1.74 -0.76 -3.83 117.46 112.46 2jww n PHE 70 Ca 0.02 0.03 0.06 0.00 -0.56 0.00 0.00 57.45 57.00 2jww n PHE 70 Cb 0.33 -1.02 0.37 0.00 1.52 0.00 0.00 39.48 40.68 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 -3.49 0.00 -0.08 5.98 7.64 -0.23 -3.95 113.62 119.48 2jww n SER 71 Ca -0.46 -0.56 0.24 0.00 1.01 0.00 0.00 58.87 59.10 2jww n SER 71 Cb 0.97 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 64.71 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 0.00 6.43 0.87 -0.02 1.23 113.55 122.06 2jww h SER 72 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2jww h SER 72 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2jww h SER 72 CO 0.00 0.00 -1.90 0.47 -0.53 0.00 0.00 176.83 174.87 2jww n ASP 73 N -3.36 1.31 -1.97 6.23 8.00 -1.25 -5.01 116.55 120.49 2jww n ASP 73 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 2jww n ASP 73 Cb 1.19 1.25 0.00 0.00 -0.02 0.00 0.00 41.12 43.54 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 -2.34 0.00 -1.96 2.24 0.00 0.42 -4.88 120.51 113.99 2jww n ALA 74 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2jww n ALA 74 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.24 3.05 -3.82 0.00 5.12 -1.26 -4.92 116.66 114.60 2jww n ARG 75 Ca 0.00 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.66 2jww n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2jww n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2jww n ASP 76 N 0.00 2.75 -4.42 0.55 8.00 -1.26 -4.81 116.55 117.36 2jww n ASP 76 Ca 0.00 -2.89 -0.35 0.00 0.71 0.00 0.00 54.79 52.26 2jww n ASP 76 Cb 0.00 -0.06 -0.13 0.00 -0.02 0.00 0.00 41.12 40.91 2jww n ASP 76 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2jww s LEU 77 N 0.00 3.13 0.00 0.64 0.05 -1.26 -4.71 118.68 116.54 2jww s LEU 77 Ca 0.33 -0.25 0.01 0.00 0.05 0.00 0.00 54.13 54.27 2jww s LEU 77 Cb -0.03 -1.78 0.02 0.00 -2.05 0.00 0.00 46.19 42.35 2jww s LEU 77 CO 0.21 0.06 0.16 -1.20 -0.55 0.00 0.00 176.35 175.03 2jww n SER 78 N 4.23 0.30 -0.19 1.48 7.64 -1.26 -4.44 113.62 121.39 2jww n SER 78 Ca -0.17 -1.23 -0.02 0.00 1.01 0.00 0.00 58.87 58.45 2jww n SER 78 Cb 0.52 -0.10 0.04 0.00 -1.01 0.00 0.00 64.21 63.66 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 79 N -0.06 0.27 -0.32 -0.43 0.00 -1.97 1.52 119.26 118.28 2jww h ALA 79 Ca -0.05 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2jww h ALA 79 Cb 0.22 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2jww h ALA 79 CO 0.07 -0.49 -0.24 0.87 0.00 0.00 0.00 179.25 179.45 2jww h LYS 80 N -0.06 -0.21 0.00 0.00 1.57 -1.93 0.43 116.57 116.38 2jww h LYS 80 Ca 0.27 0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 2jww h LYS 80 Cb 0.47 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2jww h LYS 80 CO -0.62 -0.14 -0.63 0.93 -0.57 0.00 0.00 179.45 178.42 2jww h GLU 81 N -0.21 0.00 0.00 3.15 4.39 -1.48 1.53 114.58 121.96 2jww h GLU 81 Ca 0.16 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2jww h GLU 81 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2jww h GLU 81 CO -0.44 0.63 -0.00 1.15 -1.16 0.00 0.00 179.01 179.19 2jww h THR 82 N 0.00 1.05 0.00 1.13 2.02 0.35 1.85 112.91 119.31 2jww h THR 82 Ca -0.01 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 2jww h THR 82 Cb 1.18 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2jww h THR 82 CO 0.08 0.04 -0.85 0.11 0.37 0.00 0.00 175.52 175.28 2jww h LYS 83 N -0.07 0.09 0.00 6.66 1.79 -0.13 -2.47 116.57 122.43 2jww h LYS 83 Ca -0.00 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 2jww h LYS 83 Cb 0.07 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2jww h LYS 83 CO 0.00 0.88 -0.60 1.15 -1.08 0.00 0.00 179.45 179.80 2jww h THR 84 N 0.05 0.20 -0.02 -0.16 2.02 0.25 -3.31 112.91 111.94 2jww h THR 84 Ca -0.02 -1.25 -0.03 0.00 0.77 0.00 0.00 66.41 65.88 2jww h THR 84 Cb 1.48 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2jww h THR 84 CO 0.12 0.07 -0.09 0.25 0.37 0.00 0.00 175.52 176.23 2jww h LEU 85 N -1.00 0.12 0.04 2.58 5.85 0.26 -2.16 115.31 121.00 2jww h LEU 85 Ca -0.07 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 57.99 2jww h LEU 85 Cb 0.63 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2jww h LEU 85 CO -0.04 0.76 -0.02 -0.03 -0.34 0.00 0.00 178.44 178.77 2jww h MET 86 N -0.51 -0.05 -0.80 1.25 4.05 -1.04 -0.06 114.93 117.78 2jww h MET 86 Ca -0.01 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.58 2jww h MET 86 Cb 0.75 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.51 2jww h MET 86 CO 0.02 0.60 0.53 0.00 0.23 0.00 0.00 176.91 178.29 2jww h ALA 87 N 0.10 2.15 0.09 0.39 0.00 -1.53 0.85 119.26 121.31 2jww h ALA 87 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jww h ALA 87 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2jww h ALA 87 CO 0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 179.25 178.84 2jww h ALA 88 N 1.63 -0.13 -0.92 0.00 0.00 -1.35 -2.36 119.26 116.13 2jww h ALA 88 Ca 0.40 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2jww h ALA 88 Cb 0.95 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2jww h ALA 88 CO -0.13 -0.26 0.60 0.78 0.00 0.00 0.00 179.25 180.23 2jww h GLY 89 N -0.74 1.36 -3.70 0.00 0.00 0.17 0.16 103.07 100.31 2jww h GLY 89 Ca -0.01 -0.43 -0.49 0.00 0.00 0.00 0.00 47.33 46.40 2jww h GLY 89 CO 0.02 0.31 0.63 2.09 0.00 0.00 0.00 176.54 179.59 2jww n ASP 90 N -4.49 6.22 -0.24 0.19 5.68 0.29 -2.97 116.55 121.24 2jww n ASP 90 Ca 0.14 -3.40 0.20 0.00 -0.50 0.00 0.00 54.79 51.23 2jww n ASP 90 Cb 0.19 -0.95 0.34 0.00 -1.14 0.00 0.00 41.12 39.56 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 -0.46 -0.02 0.32 0.11 0.00 0.04 0.18 118.16 118.33 2jww n LYS 91 Ca 0.48 0.63 0.17 0.00 0.00 0.00 0.00 58.31 59.59 2jww n LYS 91 Cb 0.83 -1.24 0.90 0.00 0.00 0.00 0.00 35.03 35.52 2jww n LYS 91 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2jww h ASP 92 N 0.00 0.00 -1.31 3.14 3.58 -1.86 -3.45 116.42 116.52 2jww h ASP 92 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2jww h ASP 92 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2jww h ASP 92 CO -0.24 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.73 2jww n GLY 93 N -1.19 0.47 0.19 -0.78 0.00 0.46 -5.01 105.19 99.33 2jww n GLY 93 Ca -0.02 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.64 1.13 -0.29 1.61 9.92 -1.22 -4.98 116.55 122.07 2jww n ASP 94 Ca 0.00 -1.06 -0.04 0.00 -0.53 0.00 0.00 54.79 53.16 2jww n ASP 94 Cb 0.33 0.41 -0.02 0.00 -0.64 0.00 0.00 41.12 41.20 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 0.74 0.46 3.13 0.44 0.00 -1.26 -4.94 105.19 103.76 2jww n GLY 95 Ca 0.03 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.99 0.34 -0.30 1.61 3.01 -1.26 -2.53 119.74 118.61 2jww s LYS 96 Ca 0.00 0.19 -0.05 0.00 -1.01 0.00 0.00 55.97 55.10 2jww s LYS 96 Cb 0.00 0.16 0.03 0.00 -1.01 0.00 0.00 37.83 37.01 2jww s LYS 96 CO 0.00 -0.06 0.05 0.42 0.51 0.00 0.00 175.35 176.27 2jww s ILE 97 N -0.20 3.52 0.00 2.17 1.01 -1.08 -4.64 121.20 121.97 2jww s ILE 97 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.57 2jww s ILE 97 Cb -0.03 -2.91 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2jww s ILE 97 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2jww n GLY 98 N 4.76 1.05 0.28 6.18 0.00 -1.26 -3.42 105.19 112.78 2jww n GLY 98 Ca -0.14 -1.96 0.04 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.19 1.10 0.13 1.61 3.04 -1.96 -0.92 116.25 119.07 2jww h VAL 99 Ca 0.00 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 2jww h VAL 99 Cb 0.00 0.83 0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2jww h VAL 99 CO 0.00 0.12 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.29 2jww h GLU 100 N 0.33 -0.16 -0.83 4.17 4.39 -1.93 -3.33 114.58 117.22 2jww h GLU 100 Ca 0.08 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2jww h GLU 100 Cb 0.09 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2jww h GLU 100 CO -0.01 0.29 0.54 0.93 -1.16 0.00 0.00 179.01 179.61 2jww h GLU 101 N -0.88 0.95 -0.40 2.33 3.07 -1.82 -1.28 114.58 116.53 2jww h GLU 101 Ca -0.02 -0.06 0.12 0.00 -0.50 0.00 0.00 59.36 58.90 2jww h GLU 101 Cb 0.53 -0.21 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2jww h GLU 101 CO 0.03 0.63 0.49 0.35 -1.40 0.00 0.00 179.01 179.10 2jww h PHE 102 N 0.98 0.00 0.10 4.33 3.57 -1.27 0.46 116.94 125.10 2jww h PHE 102 Ca 0.34 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.61 2jww h PHE 102 Cb 0.12 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.88 2jww h PHE 102 CO -0.00 0.00 -0.96 0.66 -2.23 0.00 0.00 178.31 175.78 2jww h SER 103 N 0.00 0.67 -0.83 0.41 4.64 -1.37 -3.26 113.55 113.81 2jww h SER 103 Ca 0.19 -0.85 0.09 0.00 -0.47 0.00 0.00 61.79 60.75 2jww h SER 103 Cb 1.16 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.97 2jww h SER 103 CO -0.00 1.45 0.48 0.74 -0.87 0.00 0.00 176.83 178.63 2jww h THR 104 N -0.01 0.93 -0.97 2.95 2.02 -0.13 0.32 112.91 118.02 2jww h THR 104 Ca -0.15 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 66.87 2jww h THR 104 Cb 1.69 0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 68.06 2jww h THR 104 CO 0.18 0.15 0.62 0.25 0.37 0.00 0.00 175.52 177.09 2jww h LEU 105 N 0.82 0.86 -1.62 2.58 6.46 -1.22 0.33 115.31 123.51 2jww h LEU 105 Ca 0.40 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.31 2jww h LEU 105 Cb 0.34 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 2jww h LEU 105 CO -0.24 0.46 0.43 0.58 -0.62 0.00 0.00 178.44 179.05 2jww h VAL 106 N 0.92 0.87 0.04 1.05 2.07 -0.97 0.41 116.25 120.64 2jww h VAL 106 Ca 0.48 -0.14 -0.23 0.00 0.82 0.00 0.00 66.70 67.62 2jww h VAL 106 Cb 0.53 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2jww h VAL 106 CO -0.24 0.08 -1.02 0.00 0.02 0.00 0.00 177.57 176.40 2jww h ALA 107 N 1.68 0.32 0.37 1.67 0.00 -0.30 -3.35 119.26 119.66 2jww h ALA 107 Ca 0.30 -0.77 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 2jww h ALA 107 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jww h ALA 107 CO -0.09 0.89 -0.18 0.93 0.00 0.00 0.00 179.25 180.81 2jww h GLU 108 N 0.15 -0.48 0.00 0.00 4.39 0.69 -3.52 114.58 115.81 2jww h GLU 108 Ca -0.09 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jww h GLU 108 Cb 1.68 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2jww h GLU 108 CO 0.17 -0.32 0.00 -1.13 -1.16 0.00 0.00 179.01 176.57