#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 -5.74 -0.09 -1.46 0.00 -1.26 -4.93 117.12 103.64 2jww n MET 2 Ca 0.00 0.61 -0.10 0.00 0.00 0.00 0.00 57.70 58.21 2jww n MET 2 Cb 0.00 -4.97 -0.16 0.00 0.00 0.00 0.00 33.22 28.09 2jww n MET 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jww n THR 3 N -4.23 1.43 0.31 1.12 -2.24 -1.26 -2.80 114.28 106.60 2jww n THR 3 Ca -0.02 -0.84 0.20 0.00 -2.27 0.00 0.00 64.05 61.12 2jww n THR 3 Cb 0.55 -0.58 0.99 0.00 -2.10 0.00 0.00 70.33 69.19 2jww n THR 3 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2jww h ASP 4 N 0.00 0.00 0.00 3.42 1.82 -2.00 -3.37 116.42 116.29 2jww h ASP 4 Ca -0.52 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 2jww h ASP 4 Cb 2.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.21 2jww h ASP 4 CO 0.03 0.00 -0.02 0.18 -1.61 0.00 0.00 179.24 177.83 2jww n LEU 5 N -2.99 0.48 -4.77 2.28 4.32 -1.26 -5.06 117.00 110.00 2jww n LEU 5 Ca -0.02 0.06 -0.38 0.00 -0.02 0.00 0.00 56.01 55.66 2jww n LEU 5 Cb 0.14 -0.16 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 2jww n LEU 5 CO 0.21 -0.60 0.76 -0.76 -1.22 0.00 0.00 177.39 175.79 2jww s LEU 6 N -5.84 4.23 -0.33 2.23 1.43 -1.12 -4.90 118.68 114.38 2jww s LEU 6 Ca -0.00 2.13 -0.35 0.00 -1.03 0.00 0.00 54.13 54.88 2jww s LEU 6 Cb 0.00 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 42.07 2jww s LEU 6 CO 0.01 -0.45 2.18 -1.54 0.23 0.00 0.00 176.35 176.77 2jww n SER 7 N 0.21 2.24 -0.20 2.29 3.41 -1.26 -4.18 113.62 116.13 2jww n SER 7 Ca 0.04 0.41 -0.07 0.00 -0.26 0.00 0.00 58.87 58.99 2jww n SER 7 Cb 0.48 -1.29 0.03 0.00 -0.26 0.00 0.00 64.21 63.17 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 12.47 0.73 0.01 7.33 0.00 -1.82 -2.02 119.26 135.96 2jww h ALA 8 Ca -0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2jww h ALA 8 Cb 1.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2jww h ALA 8 CO 1.01 0.27 -0.00 1.49 0.00 0.00 0.00 179.25 182.02 2jww h GLU 9 N 0.77 -0.01 -0.67 0.00 4.81 -1.94 -3.12 114.58 114.42 2jww h GLU 9 Ca 0.20 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.57 2jww h GLU 9 Cb 0.08 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.36 2jww h GLU 9 CO -0.03 0.65 0.11 0.22 -0.73 0.00 0.00 179.01 179.23 2jww h ASP 10 N -0.67 -0.07 -0.57 1.04 3.58 -1.80 0.14 116.42 118.06 2jww h ASP 10 Ca -0.00 0.14 0.05 0.00 0.42 0.00 0.00 57.03 57.64 2jww h ASP 10 Cb 0.66 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.86 2jww h ASP 10 CO 0.00 -0.05 0.29 0.40 -2.88 0.00 0.00 179.24 177.01 2jww h ILE 11 N 0.22 0.94 -0.72 2.25 2.04 -0.96 0.23 117.51 121.52 2jww h ILE 11 Ca 0.37 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 2jww h ILE 11 Cb 0.60 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.98 2jww h ILE 11 CO -0.49 0.10 0.45 0.11 0.00 0.00 0.00 178.15 178.32 2jww h LYS 12 N 0.56 0.96 0.03 2.37 1.57 -0.72 0.74 116.57 122.09 2jww h LYS 12 Ca 0.26 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2jww h LYS 12 Cb 0.17 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2jww h LYS 12 CO -0.18 0.67 -0.02 0.87 -0.57 0.00 0.00 179.45 180.23 2jww h LYS 13 N 0.98 -0.04 -0.37 3.15 1.57 -0.50 -1.71 116.57 119.64 2jww h LYS 13 Ca 0.26 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 2jww h LYS 13 Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2jww h LYS 13 CO -0.05 0.33 -0.21 0.00 -0.57 0.00 0.00 179.45 178.95 2jww h ALA 14 N 0.52 0.94 -0.37 3.86 0.00 -0.41 0.25 119.26 124.05 2jww h ALA 14 Ca -0.00 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2jww h ALA 14 Cb 0.40 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jww h ALA 14 CO 0.01 0.61 -0.22 0.82 0.00 0.00 0.00 179.25 180.47 2jww h ILE 15 N 0.63 1.27 -0.01 0.00 2.04 0.49 -2.87 117.51 119.07 2jww h ILE 15 Ca 0.09 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2jww h ILE 15 Cb 0.69 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2jww h ILE 15 CO 0.05 0.43 -0.34 0.61 0.00 0.00 0.00 178.15 178.91 2jww n GLY 16 N -0.29 -0.40 0.10 5.37 0.00 -0.65 -4.15 105.19 105.17 2jww n GLY 16 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 3.75 0.21 -2.41 4.61 0.00 -0.27 -3.39 119.26 121.75 2jww h ALA 17 Ca 0.00 -0.96 -0.71 0.00 0.00 0.00 0.00 54.91 53.24 2jww h ALA 17 Cb 0.59 0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.09 2jww h ALA 17 CO 0.00 1.08 0.03 1.19 0.00 0.00 0.00 179.25 181.56 2jww n PHE 18 N -3.46 3.58 -0.03 0.00 3.72 -1.19 -4.82 117.46 115.26 2jww n PHE 18 Ca -0.09 -3.71 -0.17 0.00 -0.05 0.00 0.00 57.45 53.43 2jww n PHE 18 Cb 1.01 -1.03 -0.14 0.00 -0.94 0.00 0.00 39.48 38.38 2jww n PHE 18 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2jww n THR 19 N 1.66 1.67 -0.07 4.37 -1.04 -1.26 -2.20 114.28 117.40 2jww n THR 19 Ca 0.25 -0.70 -0.06 0.00 -2.04 0.00 0.00 64.05 61.50 2jww n THR 19 Cb 0.37 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.45 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 -2.90 0.62 -0.02 2.41 0.00 -1.26 -4.63 120.51 114.74 2jww n ALA 20 Ca -0.30 -0.60 -0.02 0.00 0.00 0.00 0.00 53.44 52.52 2jww n ALA 20 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 20.52 2jww n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jww n ALA 21 N -3.91 0.15 0.26 0.00 0.00 -1.26 -4.43 120.51 111.31 2jww n ALA 21 Ca -0.10 -0.29 0.15 0.00 0.00 0.00 0.00 53.44 53.20 2jww n ALA 21 Cb 0.37 0.01 0.79 0.00 0.00 0.00 0.00 19.45 20.61 2jww n ALA 21 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2jww h ASP 22 N -0.21 0.00 -0.87 0.00 3.32 -1.92 -2.57 116.42 114.16 2jww h ASP 22 Ca 0.00 0.00 0.25 0.00 0.02 0.00 0.00 57.03 57.30 2jww h ASP 22 Cb 0.17 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 2jww h ASP 22 CO 0.00 0.00 0.92 -1.28 -1.72 0.00 0.00 179.24 177.16 2jww h SER 23 N 0.00 0.00 0.05 6.45 0.87 -1.66 0.60 113.55 119.86 2jww h SER 23 Ca 0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 2jww h SER 23 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2jww h SER 23 CO 0.00 0.00 -0.86 2.19 -0.53 0.00 0.00 176.83 177.63 2jww h PHE 24 N 0.00 0.19 -0.96 2.24 -5.15 -1.74 -3.41 116.94 108.10 2jww h PHE 24 Ca 0.41 -0.14 -0.59 0.00 -0.20 0.00 0.00 57.97 57.45 2jww h PHE 24 Cb 2.25 -0.01 -0.09 0.00 0.22 0.00 0.00 35.95 38.32 2jww h PHE 24 CO 0.00 1.34 1.68 0.16 -2.00 0.00 0.00 178.31 179.49 2jww s ASP 25 N -6.72 6.46 0.24 -0.68 1.47 0.20 -4.74 116.67 112.90 2jww s ASP 25 Ca -0.21 -1.76 0.23 0.00 1.18 0.00 0.00 52.55 51.98 2jww s ASP 25 Cb 0.02 -2.57 0.95 0.00 -0.34 0.00 0.00 42.92 40.98 2jww s ASP 25 CO 0.70 -1.55 1.70 0.00 0.68 0.00 0.00 175.17 176.71 2jww n HIS 26 N 9.33 0.76 0.29 2.11 1.44 -1.26 -3.31 115.22 124.59 2jww n HIS 26 Ca 0.40 0.29 -0.17 0.00 -2.01 0.00 0.00 57.72 56.23 2jww n HIS 26 Cb 0.49 -0.97 -0.08 0.00 0.12 0.00 0.00 29.99 29.54 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2jww h LYS 27 N 0.00 -0.82 -0.91 -1.40 1.57 -1.92 1.58 116.57 114.67 2jww h LYS 27 Ca 0.00 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 2jww h LYS 27 Cb 0.39 0.19 -0.07 0.00 0.08 0.00 0.00 32.23 32.81 2jww h LYS 27 CO 0.00 -0.54 0.59 0.87 -0.57 0.00 0.00 179.45 179.79 2jww h LYS 28 N -0.85 0.86 -0.56 3.15 1.79 -1.94 0.94 116.57 119.96 2jww h LYS 28 Ca -0.05 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.32 2jww h LYS 28 Cb 0.71 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 2jww h LYS 28 CO 0.02 0.57 0.16 0.35 -1.08 0.00 0.00 179.45 179.46 2jww h PHE 29 N 0.88 0.87 -0.59 -1.35 3.57 -1.36 -1.16 116.94 117.80 2jww h PHE 29 Ca 0.43 -0.07 0.17 0.00 3.53 0.00 0.00 57.97 62.03 2jww h PHE 29 Cb 0.47 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2jww h PHE 29 CO -0.00 0.71 0.53 0.35 -2.23 0.00 0.00 178.31 177.66 2jww h PHE 30 N 0.82 0.00 0.00 0.41 3.04 1.01 1.38 116.94 123.60 2jww h PHE 30 Ca 0.18 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 2jww h PHE 30 Cb 0.26 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2jww h PHE 30 CO 0.02 0.00 -0.41 1.96 -2.02 0.00 0.00 178.31 177.86 2jww h GLN 31 N 0.00 0.00 0.00 1.11 4.20 -0.87 -2.91 115.11 116.64 2jww h GLN 31 Ca 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2jww h GLN 31 Cb 1.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 2jww h GLN 31 CO -0.00 0.56 -0.02 0.52 -0.67 0.00 0.00 178.83 179.22 2jww h MET 32 N -1.00 0.00 0.00 1.46 2.86 -0.88 -2.78 114.93 114.59 2jww h MET 32 Ca -0.09 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 2jww h MET 32 Cb 0.73 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 2jww h MET 32 CO -0.05 0.02 -0.33 -0.24 1.06 0.00 0.00 176.91 177.37 2jww h VAL 33 N 0.00 0.70 0.00 -2.22 3.04 0.17 -3.39 116.25 114.55 2jww h VAL 33 Ca -0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 2jww h VAL 33 Cb 0.59 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 2jww h VAL 33 CO 0.00 0.32 0.00 0.61 -1.01 0.00 0.00 177.57 177.49 2jww n GLY 34 N 0.48 0.70 0.13 3.17 0.00 -1.05 -2.35 105.19 106.27 2jww n GLY 34 Ca 0.01 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.27 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 0.15 0.00 0.99 4.07 -1.75 -2.40 115.31 116.37 2jww h LEU 35 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2jww h LEU 35 Cb 0.29 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.98 2jww h LEU 35 CO 0.00 0.84 0.00 0.29 -1.08 0.00 0.00 178.44 178.49 2jww n LYS 36 N -3.72 0.14 -0.27 1.13 5.02 -1.23 -3.81 118.16 115.41 2jww n LYS 36 Ca -0.02 0.01 0.33 0.00 -2.02 0.00 0.00 58.31 56.61 2jww n LYS 36 Cb 0.72 -1.50 0.67 0.00 -0.02 0.00 0.00 35.03 34.90 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 0.00 0.00 1.97 3.11 -1.76 -3.41 116.57 116.48 2jww h LYS 37 Ca 0.00 0.00 -0.41 0.00 -2.81 0.00 0.00 60.65 57.43 2jww h LYS 37 Cb 0.42 0.00 -0.10 0.00 -1.00 0.00 0.00 32.23 31.55 2jww h LYS 37 CO 0.00 0.00 -0.35 1.63 -2.81 0.00 0.00 179.45 177.92 2jww n LYS 38 N -3.75 0.52 -0.94 1.90 5.02 -1.25 -5.12 118.16 114.54 2jww n LYS 38 Ca 0.24 -3.15 -0.32 0.00 -2.02 0.00 0.00 58.31 53.05 2jww n LYS 38 Cb 1.33 2.74 0.14 0.00 -0.02 0.00 0.00 35.03 39.23 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 -3.28 3.30 0.66 4.39 0.01 -1.26 -4.84 113.70 112.68 2jww s SER 39 Ca 0.36 2.30 0.32 0.00 1.31 0.00 0.00 55.95 60.25 2jww s SER 39 Cb 0.01 -2.58 1.75 0.00 0.21 0.00 0.00 66.02 65.41 2jww s SER 39 CO 0.26 -2.86 2.00 0.00 0.41 0.00 0.00 173.24 173.05 2jww h ALA 40 N -1.30 1.36 -0.40 1.44 0.00 -1.93 -0.04 119.26 118.40 2jww h ALA 40 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2jww h ALA 40 Cb 1.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2jww h ALA 40 CO 0.44 -0.30 0.13 -0.44 0.00 0.00 0.00 179.25 179.08 2jww h ASP 41 N 0.00 0.52 0.10 0.00 5.19 -1.98 0.08 116.42 120.34 2jww h ASP 41 Ca 0.02 -0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2jww h ASP 41 Cb 0.58 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2jww h ASP 41 CO -0.00 0.50 -0.05 0.44 -3.12 0.00 0.00 179.24 177.01 2jww h ASP 42 N 0.57 -0.11 -0.94 6.45 5.19 -1.32 -3.24 116.42 123.02 2jww h ASP 42 Ca 0.14 -0.47 0.06 0.00 -0.62 0.00 0.00 57.03 56.14 2jww h ASP 42 Cb 0.16 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 2jww h ASP 42 CO -0.01 0.48 0.59 -0.37 -3.12 0.00 0.00 179.24 176.81 2jww h VAL 43 N -0.78 1.07 -0.55 -1.35 -1.51 -1.58 -1.25 116.25 110.30 2jww h VAL 43 Ca -0.01 -0.37 0.16 0.00 -1.23 0.00 0.00 66.70 65.24 2jww h VAL 43 Cb 0.57 -0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.60 2jww h VAL 43 CO 0.02 0.20 0.50 0.11 -1.23 0.00 0.00 177.57 177.17 2jww h LYS 44 N 1.09 0.00 -0.40 5.19 1.57 -1.02 -1.51 116.57 121.48 2jww h LYS 44 Ca 0.40 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.23 2jww h LYS 44 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2jww h LYS 44 CO -0.17 0.00 0.16 0.87 -0.57 0.00 0.00 179.45 179.74 2jww h LYS 45 N 0.00 0.32 -0.15 3.15 6.56 -1.25 0.53 116.57 125.73 2jww h LYS 45 Ca 0.26 -0.02 0.04 0.00 -1.06 0.00 0.00 60.65 59.88 2jww h LYS 45 Cb 1.26 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 2jww h LYS 45 CO -0.00 0.21 0.12 -0.24 -2.06 0.00 0.00 179.45 177.48 2jww h VAL 46 N 0.33 0.80 -0.44 0.50 3.04 -1.43 -0.85 116.25 118.21 2jww h VAL 46 Ca 0.18 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.86 2jww h VAL 46 Cb 0.14 0.91 -0.02 0.00 -2.01 0.00 0.00 31.29 30.31 2jww h VAL 46 CO -0.17 0.00 0.25 0.15 -1.01 0.00 0.00 177.57 176.79 2jww h PHE 47 N 0.00 0.59 -0.60 3.17 3.57 0.01 -1.30 116.94 122.37 2jww h PHE 47 Ca 0.07 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 2jww h PHE 47 Cb 0.32 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 2jww h PHE 47 CO 0.00 0.44 0.15 1.25 -2.23 0.00 0.00 178.31 177.92 2jww h HIS 48 N 0.57 0.97 -0.33 0.41 2.76 -0.60 1.93 115.15 120.86 2jww h HIS 48 Ca 0.15 -0.10 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2jww h HIS 48 Cb 0.03 -0.28 -0.05 0.00 1.55 0.00 0.00 27.41 28.67 2jww h HIS 48 CO -0.03 0.80 0.04 0.82 -1.30 0.00 0.00 177.93 178.26 2jww h ILE 49 N 0.90 0.80 0.00 6.26 1.08 -0.92 -2.77 117.51 122.85 2jww h ILE 49 Ca 0.19 -0.05 -0.12 0.00 -0.39 0.00 0.00 64.86 64.50 2jww h ILE 49 Cb 0.32 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.70 2jww h ILE 49 CO -0.00 0.03 -1.21 -0.07 -0.69 0.00 0.00 178.15 176.21 2jww h LEU 50 N 0.14 0.00 -2.95 1.44 3.38 -0.86 -3.34 115.31 113.12 2jww h LEU 50 Ca 0.16 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 2jww h LEU 50 Cb 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.82 2jww h LEU 50 CO -0.23 0.41 0.26 0.47 0.09 0.00 0.00 178.44 179.43 2jww n ASP 51 N -2.86 3.56 -0.29 -0.43 9.92 0.65 -4.38 116.55 122.73 2jww n ASP 51 Ca -0.06 -2.81 -0.05 0.00 -0.53 0.00 0.00 54.79 51.34 2jww n ASP 51 Cb 0.75 -0.67 0.06 0.00 -0.64 0.00 0.00 41.12 40.62 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 2jww h LYS 52 N 1.19 1.12 0.00 -1.24 2.10 -1.63 -3.19 116.57 114.92 2jww h LYS 52 Ca 0.25 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.74 2jww h LYS 52 Cb 1.86 -0.21 0.00 0.00 -0.90 0.00 0.00 32.23 32.98 2jww h LYS 52 CO 0.53 0.85 -1.65 -0.25 -2.00 0.00 0.00 179.45 176.94 2jww n ASP 53 N -4.39 1.32 0.14 7.07 8.00 -1.26 -4.38 116.55 123.04 2jww n ASP 53 Ca 0.07 -0.07 0.10 0.00 0.71 0.00 0.00 54.79 55.61 2jww n ASP 53 Cb 0.12 1.67 0.51 0.00 -0.02 0.00 0.00 41.12 43.40 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 -2.00 0.14 -1.57 -1.24 4.76 -1.21 -4.83 118.16 112.21 2jww n LYS 54 Ca -0.02 0.56 -0.11 0.00 -2.87 0.00 0.00 58.31 55.87 2jww n LYS 54 Cb 0.40 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 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 -2.17 -4.06 0.00 4.39 7.64 -1.21 -2.59 113.62 115.61 2jww n SER 55 Ca -0.00 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2jww n SER 55 Cb 0.08 -2.74 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 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 -1.48 0.98 2.99 0.23 0.00 -1.24 -5.04 105.19 101.62 2jww n GLY 56 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.25 -0.21 -0.03 1.61 0.40 -1.07 -2.05 117.98 114.38 2jww s PHE 57 Ca 0.00 0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 56.86 2jww s PHE 57 Cb 0.00 -0.01 -0.04 0.00 0.51 0.00 0.00 43.02 43.48 2jww s PHE 57 CO 0.00 -0.16 0.08 0.42 0.70 0.00 0.00 175.22 176.26 2jww s ILE 58 N 0.90 4.80 -0.14 0.64 1.09 0.33 -4.69 121.20 124.13 2jww s ILE 58 Ca -0.07 -0.30 -0.08 0.00 -1.10 0.00 0.00 60.65 59.11 2jww s ILE 58 Cb -0.08 -3.16 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 2jww s ILE 58 CO -0.05 0.42 0.14 -1.61 -0.10 0.00 0.00 174.94 173.74 2jww s GLU 59 N -1.54 3.61 0.24 2.79 8.01 -1.26 -0.73 118.70 129.83 2jww s GLU 59 Ca 0.21 -0.15 0.16 0.00 0.01 0.00 0.00 54.97 55.19 2jww s GLU 59 Cb -0.12 -3.24 0.85 0.00 -4.31 0.00 0.00 34.13 27.31 2jww s GLU 59 CO 0.11 0.67 0.95 -0.85 0.01 0.00 0.00 175.26 176.16 2jww n GLU 60 N 2.32 -0.03 0.05 1.61 0.28 0.07 0.19 120.64 125.13 2jww n GLU 60 Ca -0.19 0.81 -0.12 0.00 -0.16 0.00 0.00 57.16 57.49 2jww n GLU 60 Cb 0.54 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 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 -0.14 1.50 -1.84 1.82 -1.93 -3.12 116.42 112.70 2jww h ASP 61 Ca 0.52 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.80 2jww h ASP 61 Cb 1.51 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.55 2jww h ASP 61 CO -0.39 0.33 0.00 -0.33 -1.61 0.00 0.00 179.24 177.23 2jww h GLU 62 N -0.65 0.00 -0.39 0.28 4.39 0.11 -3.20 114.58 115.12 2jww h GLU 62 Ca -0.02 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.80 2jww h GLU 62 Cb 0.50 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2jww h GLU 62 CO 0.03 0.00 0.57 -0.07 -1.16 0.00 0.00 179.01 178.37 2jww h LEU 63 N 0.00 0.00 -0.77 1.33 -0.00 0.22 0.67 115.31 116.76 2jww h LEU 63 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2jww h LEU 63 Cb 0.75 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.41 2jww h LEU 63 CO 0.00 0.00 -0.01 1.23 -0.00 0.00 0.00 178.44 179.66 2jww h GLY 64 N 0.00 0.00 0.00 0.83 0.00 -1.68 -2.35 103.07 99.87 2jww h GLY 64 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 2jww h GLY 64 CO -0.00 0.00 -0.75 0.23 0.00 0.00 0.00 176.54 176.02 2jww h SER 65 N 0.00 0.00 -0.94 0.19 0.87 0.10 -3.37 113.55 110.40 2jww h SER 65 Ca -0.00 -0.56 0.15 0.00 -1.23 0.00 0.00 61.79 60.15 2jww h SER 65 Cb 0.75 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.62 2jww h SER 65 CO 0.00 1.22 0.55 -0.29 -0.53 0.00 0.00 176.83 177.78 2jww h ILE 66 N -1.00 0.79 -1.00 2.23 -0.00 -1.52 -1.21 117.51 115.79 2jww h ILE 66 Ca -0.19 -0.27 0.21 0.00 -0.00 0.00 0.00 64.86 64.61 2jww h ILE 66 Cb 1.06 -0.07 -0.11 0.00 -0.00 0.00 0.00 36.82 37.70 2jww h ILE 66 CO -0.12 0.14 0.61 -0.07 -0.00 0.00 0.00 178.15 178.71 2jww h LEU 67 N 0.79 0.73 -1.83 2.19 -0.00 -1.57 0.17 115.31 115.79 2jww h LEU 67 Ca 0.51 0.11 0.19 0.00 -0.00 0.00 0.00 57.88 58.69 2jww h LEU 67 Cb 0.67 -0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 2jww h LEU 67 CO -0.33 0.21 0.64 0.11 -0.00 0.00 0.00 178.44 179.07 2jww h LYS 68 N 0.69 0.00 -0.82 1.13 1.57 -1.38 -1.97 116.57 115.78 2jww h LYS 68 Ca 0.60 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.57 2jww h LYS 68 Cb 1.04 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.20 2jww h LYS 68 CO -0.41 0.00 -0.07 0.78 -0.57 0.00 0.00 179.45 179.18 2jww h GLY 69 N 0.00 0.81 0.02 3.86 0.00 -0.81 1.32 103.07 108.28 2jww h GLY 69 Ca 0.31 0.18 -0.36 0.00 0.00 0.00 0.00 47.33 47.46 2jww h GLY 69 CO -0.00 -0.33 -1.97 1.97 0.00 0.00 0.00 176.54 176.21 2jww n PHE 70 N -5.44 0.50 0.98 5.60 -1.74 -0.79 -4.40 117.46 112.16 2jww n PHE 70 Ca 0.14 0.20 0.08 0.00 -0.56 0.00 0.00 57.45 57.32 2jww n PHE 70 Cb 0.50 -1.05 0.47 0.00 1.52 0.00 0.00 39.48 40.91 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 -4.26 0.00 0.09 5.98 3.41 -0.91 -3.90 113.62 114.02 2jww n SER 71 Ca -0.44 -0.48 0.18 0.00 -0.26 0.00 0.00 58.87 57.87 2jww n SER 71 Cb 0.81 -0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.28 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 -0.79 4.04 0.87 0.15 1.26 113.55 119.09 2jww h SER 72 Ca 0.00 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.16 2jww h SER 72 Cb 0.00 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 61.72 2jww h SER 72 CO 0.00 0.00 0.41 0.47 -0.53 0.00 0.00 176.83 177.18 2jww n ASP 73 N -3.17 3.37 0.00 6.23 8.00 -1.25 -4.84 116.55 124.89 2jww n ASP 73 Ca 0.09 -3.66 0.00 0.00 0.71 0.00 0.00 54.79 51.94 2jww n ASP 73 Cb 0.93 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 -1.11 0.25 -3.43 2.24 0.00 0.43 -4.53 120.51 114.36 2jww n ALA 74 Ca 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 2jww n ALA 74 Cb 1.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.91 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 0.38 -4.39 0.00 1.74 -1.07 -5.10 116.66 108.22 2jww n ARG 75 Ca 0.00 -1.17 -0.22 0.00 -0.77 0.00 0.00 57.85 55.69 2jww n ARG 75 Cb 0.00 1.22 -0.13 0.00 -1.02 0.00 0.00 32.46 32.53 2jww n ARG 75 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 2jww s ASP 76 N -1.96 2.02 0.09 0.55 1.47 -1.26 -4.58 116.67 113.00 2jww s ASP 76 Ca 0.11 -0.54 -0.26 0.00 1.18 0.00 0.00 52.55 53.04 2jww s ASP 76 Cb -0.01 -0.13 -0.15 0.00 -0.34 0.00 0.00 42.92 42.30 2jww s ASP 76 CO 0.08 0.05 0.61 -0.11 0.68 0.00 0.00 175.17 176.48 2jww n LEU 77 N 1.65 -0.54 0.00 2.11 7.94 -1.26 -4.98 117.00 121.92 2jww n LEU 77 Ca -0.19 0.90 -0.27 0.00 -1.11 0.00 0.00 56.01 55.35 2jww n LEU 77 Cb 0.54 -0.74 -0.02 0.00 0.53 0.00 0.00 43.42 43.73 2jww n LEU 77 CO 0.23 -1.98 -0.03 -1.20 -1.11 0.00 0.00 177.39 173.30 2jww n SER 78 N 1.40 2.88 -0.20 1.96 7.64 -1.26 -4.77 113.62 121.27 2jww n SER 78 Ca 0.15 -2.89 -0.02 0.00 1.01 0.00 0.00 58.87 57.13 2jww n SER 78 Cb 0.14 0.08 0.05 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.87 0.35 0.14 -0.43 0.00 -2.00 0.15 119.26 118.35 2jww h ALA 79 Ca -0.35 0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.80 2jww h ALA 79 Cb 1.20 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.45 2jww h ALA 79 CO 0.56 -0.45 -0.24 -0.22 0.00 0.00 0.00 179.25 178.90 2jww h LYS 80 N -0.02 -0.43 -0.03 0.00 3.64 -1.99 -1.79 116.57 115.93 2jww h LYS 80 Ca 0.28 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2jww h LYS 80 Cb 0.45 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jww h LYS 80 CO -0.62 -0.29 0.03 0.93 -2.27 0.00 0.00 179.45 177.23 2jww h GLU 81 N -0.45 0.00 0.14 1.90 5.08 -1.56 1.40 114.58 121.09 2jww h GLU 81 Ca 0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jww h GLU 81 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2jww h GLU 81 CO -0.12 0.00 -0.07 1.15 -1.00 0.00 0.00 179.01 178.98 2jww h THR 82 N 0.00 0.95 0.00 1.13 2.02 0.15 1.44 112.91 118.60 2jww h THR 82 Ca 0.01 -0.35 -0.15 0.00 0.77 0.00 0.00 66.41 66.69 2jww h THR 82 Cb 0.08 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2jww h THR 82 CO -0.00 0.08 -0.70 0.11 0.37 0.00 0.00 175.52 175.38 2jww h LYS 83 N -0.36 0.00 0.00 6.66 1.79 -1.14 -2.11 116.57 121.41 2jww h LYS 83 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2jww h LYS 83 Cb 0.28 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.93 2jww h LYS 83 CO 0.03 0.70 -0.45 1.15 -1.08 0.00 0.00 179.45 179.80 2jww h THR 84 N 0.00 0.05 0.00 -0.16 2.02 0.21 -3.38 112.91 111.66 2jww h THR 84 Ca -0.01 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.04 2jww h THR 84 Cb 1.42 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2jww h THR 84 CO 0.09 0.02 -0.40 -0.07 0.37 0.00 0.00 175.52 175.53 2jww h LEU 85 N -1.00 0.00 0.14 2.58 -0.00 0.16 -3.06 115.31 114.14 2jww h LEU 85 Ca -0.02 -0.64 -0.01 0.00 -0.00 0.00 0.00 57.88 57.22 2jww h LEU 85 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2jww h LEU 85 CO -0.01 1.05 -0.07 0.24 -0.00 0.00 0.00 178.44 179.65 2jww h MET 86 N -1.00 -0.19 -0.03 1.13 2.86 -0.75 -0.23 114.93 116.72 2jww h MET 86 Ca -0.10 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2jww h MET 86 Cb 0.91 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2jww h MET 86 CO -0.06 -0.08 0.05 0.00 1.06 0.00 0.00 176.91 177.88 2jww h ALA 87 N 0.60 1.43 0.06 6.32 0.00 -1.55 -1.87 119.26 124.26 2jww h ALA 87 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jww h ALA 87 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2jww h ALA 87 CO 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.19 2jww h ALA 88 N 1.93 -0.15 -0.87 0.00 0.00 -1.10 -3.29 119.26 115.78 2jww h ALA 88 Ca 0.02 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.16 2jww h ALA 88 Cb 0.11 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2jww h ALA 88 CO -0.00 -0.15 0.69 0.78 0.00 0.00 0.00 179.25 180.58 2jww h GLY 89 N -0.49 0.00 -3.74 0.00 0.00 -0.99 0.43 103.07 98.27 2jww h GLY 89 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.81 2jww h GLY 89 CO 0.01 0.00 0.66 2.09 0.00 0.00 0.00 176.54 179.30 2jww n ASP 90 N -4.04 6.91 -0.27 0.19 5.68 -0.71 -3.15 116.55 121.16 2jww n ASP 90 Ca 0.18 -3.44 0.21 0.00 -0.50 0.00 0.00 54.79 51.24 2jww n ASP 90 Cb 1.00 -1.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.36 -0.01 0.34 0.11 0.00 0.15 0.16 118.16 118.55 2jww n LYS 91 Ca 0.48 0.50 0.18 0.00 0.00 0.00 0.00 58.31 59.46 2jww n LYS 91 Cb 0.67 -1.08 0.98 0.00 0.00 0.00 0.00 35.03 35.60 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 -1.59 3.14 3.58 -1.86 -3.45 116.42 116.23 2jww h ASP 92 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2jww h ASP 92 Cb 1.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.55 2jww h ASP 92 CO -0.07 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 2jww n GLY 93 N -1.17 0.63 0.10 -0.78 0.00 0.42 -4.99 105.19 99.41 2jww n GLY 93 Ca -0.02 -0.54 0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.09 0.82 -1.14 1.61 5.75 -1.24 -4.99 116.55 117.27 2jww n ASP 94 Ca 0.00 -0.91 -0.11 0.00 -0.01 0.00 0.00 54.79 53.76 2jww n ASP 94 Cb 0.49 0.79 -0.01 0.00 -1.03 0.00 0.00 41.12 41.35 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 1.13 0.19 3.32 6.12 0.00 -1.26 -4.95 105.19 109.74 2jww n GLY 95 Ca 0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.20 0.58 -0.08 1.61 1.02 -1.26 -0.75 119.74 116.65 2jww s LYS 96 Ca 0.00 0.42 -0.03 0.00 0.02 0.00 0.00 55.97 56.38 2jww s LYS 96 Cb 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 2jww s LYS 96 CO 0.00 -0.10 0.05 0.42 -0.92 0.00 0.00 175.35 174.79 2jww s ILE 97 N -0.18 4.66 0.23 2.17 1.01 0.10 -4.53 121.20 124.65 2jww s ILE 97 Ca -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 2jww s ILE 97 Cb -0.03 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 2jww s ILE 97 CO 0.02 0.56 0.21 -0.83 0.00 0.00 0.00 174.94 174.90 2jww s GLY 98 N -1.08 1.38 0.39 6.18 0.00 -1.26 0.12 107.32 113.05 2jww s GLY 98 Ca 0.15 -1.59 0.19 0.00 0.00 0.00 0.00 44.72 43.47 2jww s GLY 98 CO 0.05 -1.26 1.74 -0.24 0.00 0.00 0.00 173.10 173.38 2jww h VAL 99 N 2.50 0.45 0.13 1.40 3.04 -1.83 1.24 116.25 123.18 2jww h VAL 99 Ca -0.33 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2jww h VAL 99 Cb 1.25 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2jww h VAL 99 CO 0.48 0.07 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.71 2jww h GLU 100 N 0.36 -0.17 -0.13 4.17 5.08 -1.96 -3.31 114.58 118.62 2jww h GLU 100 Ca 0.64 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.97 2jww h GLU 100 Cb 1.65 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.92 2jww h GLU 100 CO -0.34 0.28 -0.12 0.93 -1.00 0.00 0.00 179.01 178.76 2jww h GLU 101 N -0.88 0.21 -0.40 2.33 3.07 -1.54 -2.15 114.58 115.23 2jww h GLU 101 Ca -0.02 -0.04 0.11 0.00 -0.50 0.00 0.00 59.36 58.91 2jww h GLU 101 Cb 0.53 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 2jww h GLU 101 CO 0.03 0.34 0.41 0.35 -1.40 0.00 0.00 179.01 178.74 2jww h PHE 102 N 0.20 0.00 -0.22 4.33 3.57 0.14 0.17 116.94 125.13 2jww h PHE 102 Ca 0.04 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2jww h PHE 102 Cb 0.34 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2jww h PHE 102 CO 0.00 0.00 -0.13 1.03 -2.23 0.00 0.00 178.31 176.98 2jww h SER 103 N 0.00 0.49 -0.74 0.41 0.87 -1.51 -3.02 113.55 110.05 2jww h SER 103 Ca 0.19 -0.43 0.04 0.00 -1.23 0.00 0.00 61.79 60.35 2jww h SER 103 Cb 1.00 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 2jww h SER 103 CO -0.00 0.82 0.46 0.74 -0.53 0.00 0.00 176.83 178.32 2jww h THR 104 N 0.17 1.09 -0.51 2.23 2.02 -0.81 0.03 112.91 117.14 2jww h THR 104 Ca 0.05 -0.31 0.15 0.00 0.77 0.00 0.00 66.41 67.07 2jww h THR 104 Cb 0.64 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2jww h THR 104 CO 0.04 0.16 0.38 0.25 0.37 0.00 0.00 175.52 176.72 2jww h LEU 105 N 0.89 0.00 -0.33 2.58 5.85 -1.36 0.75 115.31 123.69 2jww h LEU 105 Ca 0.30 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 2jww h LEU 105 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2jww h LEU 105 CO -0.12 0.00 -0.30 0.58 -0.34 0.00 0.00 178.44 178.26 2jww h VAL 106 N 0.00 1.29 0.00 1.05 2.07 -0.87 -2.97 116.25 116.82 2jww h VAL 106 Ca 0.24 -1.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.15 2jww h VAL 106 Cb 0.99 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2jww h VAL 106 CO -0.00 0.48 -0.66 0.00 0.02 0.00 0.00 177.57 177.41 2jww h ALA 107 N 0.74 0.73 0.04 1.67 0.00 -0.48 -3.32 119.26 118.64 2jww h ALA 107 Ca 0.06 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.37 2jww h ALA 107 Cb 0.88 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2jww h ALA 107 CO 0.08 0.83 -0.22 0.93 0.00 0.00 0.00 179.25 180.86 2jww h GLU 108 N 0.00 -0.30 0.00 0.00 4.39 0.51 -3.51 114.58 115.67 2jww h GLU 108 Ca -0.01 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2jww h GLU 108 Cb 1.31 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2jww h GLU 108 CO 0.09 -0.20 0.00 0.45 -1.16 0.00 0.00 179.01 178.19