#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 2.51 -0.01 1.43 0.00 -1.26 -4.03 117.12 115.75 2jww n MET 2 Ca 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 57.70 55.75 2jww n MET 2 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 33.22 30.39 2jww n MET 2 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jww n THR 3 N 4.61 0.17 0.24 1.12 -1.04 -1.26 -4.07 114.28 114.05 2jww n THR 3 Ca 0.56 -0.13 0.13 0.00 -2.04 0.00 0.00 64.05 62.57 2jww n THR 3 Cb 0.26 -0.53 0.47 0.00 -1.82 0.00 0.00 70.33 68.72 2jww n THR 3 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2jww h ASP 4 N 0.00 0.00 0.00 8.00 5.19 -2.03 -3.39 116.42 124.19 2jww h ASP 4 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2jww h ASP 4 Cb 0.92 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2jww h ASP 4 CO 0.00 0.10 -0.20 0.18 -3.12 0.00 0.00 179.24 176.20 2jww n LEU 5 N -3.19 0.60 -4.75 1.55 4.32 -1.26 -5.01 117.00 109.27 2jww n LEU 5 Ca 0.01 0.09 -0.41 0.00 -0.02 0.00 0.00 56.01 55.69 2jww n LEU 5 Cb 0.42 -0.37 -0.04 0.00 -1.62 0.00 0.00 43.42 41.81 2jww n LEU 5 CO 0.31 -0.51 0.82 -0.76 -1.22 0.00 0.00 177.39 176.04 2jww s LEU 6 N -5.97 4.50 -0.25 2.23 1.43 -1.26 -4.94 118.68 114.43 2jww s LEU 6 Ca -0.06 2.22 -0.28 0.00 -1.03 0.00 0.00 54.13 54.98 2jww s LEU 6 Cb 0.01 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2jww s LEU 6 CO 0.09 -0.24 1.98 -0.44 0.23 0.00 0.00 176.35 177.96 2jww s SER 7 N -0.36 5.78 0.57 2.29 0.01 -1.26 -4.35 113.70 116.38 2jww s SER 7 Ca 0.48 1.68 0.29 0.00 1.31 0.00 0.00 55.95 59.71 2jww s SER 7 Cb -0.32 -2.52 1.48 0.00 0.21 0.00 0.00 66.02 64.87 2jww s SER 7 CO 0.38 -1.73 1.92 0.00 0.41 0.00 0.00 173.24 174.22 2jww h ALA 8 N 13.49 2.31 -0.05 1.44 0.00 -1.85 0.68 119.26 135.28 2jww h ALA 8 Ca -0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 2jww h ALA 8 Cb 1.20 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jww h ALA 8 CO 0.99 -0.76 -0.04 1.49 0.00 0.00 0.00 179.25 180.93 2jww h GLU 9 N 0.00 0.12 0.29 0.00 4.57 -1.95 -1.98 114.58 115.63 2jww h GLU 9 Ca 0.25 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 2jww h GLU 9 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2jww h GLU 9 CO -0.00 0.55 -0.17 -0.44 -1.18 0.00 0.00 179.01 177.77 2jww h ASP 10 N -0.30 -0.41 0.07 1.04 5.19 -1.13 0.94 116.42 121.81 2jww h ASP 10 Ca 0.01 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2jww h ASP 10 Cb 0.52 0.12 -0.03 0.00 0.18 0.00 0.00 39.33 40.12 2jww h ASP 10 CO 0.01 -0.27 -0.20 0.40 -3.12 0.00 0.00 179.24 176.06 2jww h ILE 11 N -0.43 0.54 -0.21 0.35 2.04 -1.29 0.53 117.51 119.04 2jww h ILE 11 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2jww h ILE 11 Cb 0.35 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2jww h ILE 11 CO 0.04 0.00 0.14 0.50 0.00 0.00 0.00 178.15 178.83 2jww h LYS 12 N -0.36 0.24 0.15 2.37 3.64 -1.26 1.29 116.57 122.63 2jww h LYS 12 Ca 0.04 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2jww h LYS 12 Cb 0.40 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2jww h LYS 12 CO -0.13 0.16 -0.07 0.87 -2.27 0.00 0.00 179.45 178.00 2jww h LYS 13 N 0.24 -0.20 -0.39 1.90 1.57 0.60 -2.35 116.57 117.94 2jww h LYS 13 Ca 0.08 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 2jww h LYS 13 Cb 0.04 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jww h LYS 13 CO -0.02 0.24 -0.32 0.00 -0.57 0.00 0.00 179.45 178.78 2jww h ALA 14 N -0.08 0.57 -0.31 3.86 0.00 0.37 0.67 119.26 124.34 2jww h ALA 14 Ca -0.02 -0.43 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2jww h ALA 14 Cb 0.52 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2jww h ALA 14 CO 0.03 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.77 2jww h ILE 15 N 0.73 0.81 0.05 0.00 1.08 0.16 -3.32 117.51 117.02 2jww h ILE 15 Ca 0.07 -0.05 -0.37 0.00 -0.39 0.00 0.00 64.86 64.12 2jww h ILE 15 Cb 0.91 0.66 -0.05 0.00 -3.07 0.00 0.00 36.82 35.27 2jww h ILE 15 CO 0.08 0.03 -2.25 0.61 -0.69 0.00 0.00 178.15 175.93 2jww n GLY 16 N -1.22 -0.50 0.28 5.37 0.00 -0.88 -4.49 105.19 103.74 2jww n GLY 16 Ca 0.00 -0.22 0.20 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.09 0.66 -2.42 4.61 0.00 0.23 -4.31 120.51 116.20 2jww n ALA 17 Ca -0.38 0.88 -0.30 0.00 0.00 0.00 0.00 53.44 53.63 2jww n ALA 17 Cb 1.03 -0.76 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 2jww n ALA 17 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2jww s PHE 18 N -5.51 2.43 -0.23 0.00 -0.12 -1.25 -5.06 117.98 108.24 2jww s PHE 18 Ca -0.09 -0.33 -0.19 0.00 -0.05 0.00 0.00 56.93 56.27 2jww s PHE 18 Cb 0.27 -1.37 -0.17 0.00 -0.63 0.00 0.00 43.02 41.12 2jww s PHE 18 CO 0.65 0.26 0.01 2.41 -0.05 0.00 0.00 175.22 178.51 2jww n THR 19 N 1.33 1.54 0.69 -4.49 -1.04 -1.26 -4.63 114.28 106.41 2jww n THR 19 Ca -0.17 -0.17 0.11 0.00 -2.04 0.00 0.00 64.05 61.78 2jww n THR 19 Cb 0.52 -1.98 -0.09 0.00 -1.82 0.00 0.00 70.33 66.96 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 -3.70 4.04 -0.29 2.41 0.00 -1.26 -4.49 120.51 117.22 2jww n ALA 20 Ca -0.40 -0.54 0.12 0.00 0.00 0.00 0.00 53.44 52.62 2jww n ALA 20 Cb 0.76 -0.81 0.28 0.00 0.00 0.00 0.00 19.45 19.68 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 2.69 1.28 -0.11 0.00 0.00 -1.91 1.65 119.26 122.86 2jww h ALA 21 Ca 0.00 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2jww h ALA 21 Cb 0.65 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jww h ALA 21 CO 0.00 -0.42 -0.47 0.38 0.00 0.00 0.00 179.25 178.74 2jww h ASP 22 N 0.27 0.30 0.58 0.00 2.03 -1.79 1.22 116.42 119.03 2jww h ASP 22 Ca 0.54 -0.14 -0.09 0.00 -0.73 0.00 0.00 57.03 56.61 2jww h ASP 22 Cb 1.05 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.45 2jww h ASP 22 CO -0.60 0.74 -0.42 -1.28 -1.03 0.00 0.00 179.24 176.65 2jww h SER 23 N 0.23 0.00 0.00 4.15 0.87 0.15 -3.35 113.55 115.60 2jww h SER 23 Ca 0.01 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2jww h SER 23 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.86 2jww h SER 23 CO 0.08 0.42 -1.32 0.33 -0.53 0.00 0.00 176.83 175.81 2jww n PHE 24 N -3.81 0.40 -3.15 2.24 7.35 0.46 -4.66 117.46 116.29 2jww n PHE 24 Ca -0.01 0.18 0.04 0.00 -0.76 0.00 0.00 57.45 56.90 2jww n PHE 24 Cb 0.48 -0.80 -0.01 0.00 0.35 0.00 0.00 39.48 39.51 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 -6.43 -1.32 0.00 -2.13 2.15 0.41 -4.60 116.67 104.76 2jww s ASP 25 Ca -0.28 0.45 0.09 0.00 0.43 0.00 0.00 52.55 53.24 2jww s ASP 25 Cb 0.07 1.96 0.40 0.00 -0.30 0.00 0.00 42.92 45.04 2jww s ASP 25 CO 0.42 -0.24 1.28 1.57 -0.17 0.00 0.00 175.17 178.03 2jww n HIS 26 N 5.40 0.00 -0.21 -5.34 -0.00 -1.20 -3.44 115.22 110.42 2jww n HIS 26 Ca 0.02 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.12 2jww n HIS 26 Cb 0.53 -0.48 -0.03 0.00 -0.12 0.00 0.00 29.99 29.89 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2jww h LYS 27 N 0.00 -0.20 -0.12 1.57 6.56 -1.95 0.82 116.57 123.25 2jww h LYS 27 Ca 0.00 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2jww h LYS 27 Cb 0.15 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.85 2jww h LYS 27 CO 0.00 -0.13 0.07 0.87 -2.06 0.00 0.00 179.45 178.19 2jww h LYS 28 N -0.21 0.14 -1.01 3.15 6.56 -1.91 -1.67 116.57 121.62 2jww h LYS 28 Ca 0.19 -0.01 0.23 0.00 -1.06 0.00 0.00 60.65 60.00 2jww h LYS 28 Cb 0.56 -0.03 -0.11 0.00 -0.57 0.00 0.00 32.23 32.08 2jww h LYS 28 CO -0.70 0.09 0.62 0.35 -2.06 0.00 0.00 179.45 177.74 2jww h PHE 29 N 0.14 0.95 -0.44 -1.35 3.57 -1.06 0.68 116.94 119.43 2jww h PHE 29 Ca 0.05 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2jww h PHE 29 Cb -0.00 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2jww h PHE 29 CO -0.08 0.13 0.30 0.35 -2.23 0.00 0.00 178.31 176.78 2jww h PHE 30 N 0.61 0.36 0.20 0.41 3.57 0.15 1.20 116.94 123.44 2jww h PHE 30 Ca 0.60 0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.77 2jww h PHE 30 Cb 1.15 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 39.79 2jww h PHE 30 CO -0.00 0.20 -1.67 1.96 -2.23 0.00 0.00 178.31 176.56 2jww h GLN 31 N 0.36 0.42 -0.14 1.11 4.20 0.40 -2.86 115.11 118.59 2jww h GLN 31 Ca 0.19 -0.72 -0.17 0.00 0.06 0.00 0.00 58.65 58.02 2jww h GLN 31 Cb 0.31 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 2jww h GLN 31 CO -0.05 1.34 -0.61 0.52 -0.67 0.00 0.00 178.83 179.36 2jww h MET 32 N 0.11 0.49 0.00 1.46 2.86 -0.07 -3.02 114.93 116.77 2jww h MET 32 Ca -0.32 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 56.96 2jww h MET 32 Cb 2.11 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.82 2jww h MET 32 CO 0.20 0.95 -0.11 -0.24 1.06 0.00 0.00 176.91 178.77 2jww h VAL 33 N 0.37 0.54 0.00 -2.22 3.04 0.13 -3.41 116.25 114.70 2jww h VAL 33 Ca -0.01 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2jww h VAL 33 Cb 1.16 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2jww h VAL 33 CO 0.11 0.11 0.00 0.61 -1.01 0.00 0.00 177.57 177.39 2jww n GLY 34 N -0.67 0.72 0.20 3.17 0.00 -1.14 -3.03 105.19 104.44 2jww n GLY 34 Ca -0.02 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 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 0.47 -0.05 0.99 4.07 -1.76 -2.33 115.31 116.69 2jww h LEU 35 Ca 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2jww h LEU 35 Cb 0.16 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 41.77 2jww h LEU 35 CO 0.00 0.89 0.00 0.29 -1.08 0.00 0.00 178.44 178.54 2jww n LYS 36 N -3.97 0.04 -0.21 1.13 5.02 -1.24 -3.89 118.16 115.03 2jww n LYS 36 Ca -0.02 0.14 -0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2jww n LYS 36 Cb 0.56 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.17 0.00 1.97 3.11 -1.76 -3.43 116.57 116.29 2jww h LYS 37 Ca 0.00 0.01 -0.12 0.00 -2.81 0.00 0.00 60.65 57.73 2jww h LYS 37 Cb 0.42 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2jww h LYS 37 CO 0.00 -0.11 -0.06 1.63 -2.81 0.00 0.00 179.45 178.10 2jww n LYS 38 N -5.42 1.34 -1.32 1.90 5.02 -1.25 -5.13 118.16 113.29 2jww n LYS 38 Ca 0.04 -0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 55.30 2jww n LYS 38 Cb 0.36 0.08 0.17 0.00 -0.02 0.00 0.00 35.03 35.62 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 -1.68 2.63 0.57 4.39 0.01 -1.26 -4.84 113.70 113.52 2jww s SER 39 Ca 0.06 0.95 0.27 0.00 1.31 0.00 0.00 55.95 58.55 2jww s SER 39 Cb -0.01 -1.48 1.55 0.00 0.21 0.00 0.00 66.02 66.29 2jww s SER 39 CO 0.04 -3.10 2.04 0.00 0.41 0.00 0.00 173.24 172.64 2jww h ALA 40 N -1.87 2.03 -0.83 1.44 0.00 -1.92 -0.72 119.26 117.39 2jww h ALA 40 Ca -0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2jww h ALA 40 Cb 1.32 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2jww h ALA 40 CO 0.54 -0.43 0.44 -0.44 0.00 0.00 0.00 179.25 179.36 2jww h ASP 41 N 0.00 1.05 0.23 0.00 5.19 -1.98 0.24 116.42 121.15 2jww h ASP 41 Ca 0.14 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2jww h ASP 41 Cb 0.69 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2jww h ASP 41 CO -0.00 0.86 -0.11 -0.78 -3.12 0.00 0.00 179.24 176.09 2jww h ASP 42 N 1.16 -0.26 -0.50 6.45 1.82 -1.46 -3.04 116.42 120.59 2jww h ASP 42 Ca 0.29 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 2jww h ASP 42 Cb 0.06 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 2jww h ASP 42 CO -0.04 0.03 0.27 -0.37 -1.61 0.00 0.00 179.24 177.52 2jww h VAL 43 N -0.56 1.17 -0.61 2.25 -1.51 -1.45 -2.31 116.25 113.23 2jww h VAL 43 Ca -0.03 -0.44 0.18 0.00 -1.23 0.00 0.00 66.70 65.17 2jww h VAL 43 Cb 0.41 0.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 2jww h VAL 43 CO 0.05 0.19 0.61 0.50 -1.23 0.00 0.00 177.57 177.69 2jww h LYS 44 N 0.73 0.00 -0.31 5.19 3.64 -0.40 -1.27 116.57 124.15 2jww h LYS 44 Ca 0.19 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2jww h LYS 44 Cb 0.04 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2jww h LYS 44 CO -0.03 0.00 0.16 0.87 -2.27 0.00 0.00 179.45 178.18 2jww h LYS 45 N 0.00 0.32 0.00 1.90 6.56 -1.45 0.53 116.57 124.44 2jww h LYS 45 Ca 0.29 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.84 2jww h LYS 45 Cb 1.51 -0.07 -0.00 0.00 -0.57 0.00 0.00 32.23 33.09 2jww h LYS 45 CO -0.00 0.21 -0.07 -0.24 -2.06 0.00 0.00 179.45 177.29 2jww h VAL 46 N 0.33 0.80 -0.13 0.50 3.04 -1.44 0.60 116.25 119.96 2jww h VAL 46 Ca 0.13 -0.27 -0.10 0.00 -1.01 0.00 0.00 66.70 65.44 2jww h VAL 46 Cb 0.03 1.16 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2jww h VAL 46 CO -0.08 0.07 -0.38 0.15 -1.01 0.00 0.00 177.57 176.32 2jww h PHE 47 N 0.00 0.32 -0.03 3.17 3.57 -0.97 0.68 116.94 123.69 2jww h PHE 47 Ca -0.00 -0.08 -0.17 0.00 3.53 0.00 0.00 57.97 61.24 2jww h PHE 47 Cb 0.15 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2jww h PHE 47 CO 0.00 0.62 -0.76 1.25 -2.23 0.00 0.00 178.31 177.19 2jww h HIS 48 N 0.23 0.29 -0.03 0.41 2.76 0.24 1.49 115.15 120.55 2jww h HIS 48 Ca 0.02 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.04 2jww h HIS 48 Cb 0.78 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 2jww h HIS 48 CO 0.02 0.89 -0.03 0.82 -1.30 0.00 0.00 177.93 178.33 2jww h ILE 49 N 0.14 1.38 0.15 6.26 1.08 -0.88 -3.07 117.51 122.56 2jww h ILE 49 Ca -0.03 -1.15 -0.24 0.00 -0.39 0.00 0.00 64.86 63.05 2jww h ILE 49 Cb 1.33 2.09 0.01 0.00 -3.07 0.00 0.00 36.82 37.19 2jww h ILE 49 CO 0.12 0.31 -1.11 0.17 -0.69 0.00 0.00 178.15 176.94 2jww h LEU 50 N -0.39 0.48 -4.22 1.44 8.10 -0.89 -3.35 115.31 116.47 2jww h LEU 50 Ca 0.00 -0.91 -0.52 0.00 0.11 0.00 0.00 57.88 56.56 2jww h LEU 50 Cb 0.51 -0.16 -0.20 0.00 -0.44 0.00 0.00 40.66 40.38 2jww h LEU 50 CO 0.01 1.51 0.59 -0.67 -4.11 0.00 0.00 178.44 175.77 2jww n ASP 51 N -4.00 6.85 0.04 0.17 -0.08 0.51 -4.58 116.55 115.45 2jww n ASP 51 Ca -0.18 -3.36 -0.12 0.00 -1.51 0.00 0.00 54.79 49.61 2jww n ASP 51 Cb 0.88 -1.12 -0.09 0.00 2.34 0.00 0.00 41.12 43.14 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 2.41 -0.14 -0.07 -0.67 2.10 -1.68 -3.37 116.57 115.16 2jww h LYS 52 Ca 0.43 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 2jww h LYS 52 Cb 0.68 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.04 2jww h LYS 52 CO 1.05 0.31 0.00 -0.40 -2.00 0.00 0.00 179.45 178.41 2jww n ASP 53 N -4.93 1.85 0.11 7.07 5.75 -1.26 -4.63 116.55 120.52 2jww n ASP 53 Ca -0.08 -1.58 0.08 0.00 -0.01 0.00 0.00 54.79 53.19 2jww n ASP 53 Cb 0.26 -0.04 0.41 0.00 -1.03 0.00 0.00 41.12 40.72 2jww n ASP 53 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2jww n LYS 54 N 0.07 0.10 -0.46 0.11 3.00 -1.26 -4.81 118.16 114.92 2jww n LYS 54 Ca 0.03 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2jww n LYS 54 Cb 0.21 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.43 2jww n LYS 54 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jww n SER 55 N -2.02 -1.37 0.00 3.14 3.41 -1.26 -4.08 113.62 111.43 2jww n SER 55 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jww n SER 55 Cb 0.05 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 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 -2.46 2.55 2.93 5.00 0.00 -1.26 -4.98 105.19 106.98 2jww n GLY 56 Ca 0.00 0.00 -0.24 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 -2.37 1.23 -0.12 1.61 0.08 -1.26 -2.84 117.98 114.31 2jww s PHE 57 Ca 0.00 -0.49 -0.04 0.00 0.12 0.00 0.00 56.93 56.51 2jww s PHE 57 Cb 0.00 -1.00 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2jww s PHE 57 CO 0.00 -0.34 0.04 0.42 -0.10 0.00 0.00 175.22 175.25 2jww s ILE 58 N 1.16 4.66 -0.25 0.64 1.01 -1.12 -4.92 121.20 122.38 2jww s ILE 58 Ca -0.06 -0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 2jww s ILE 58 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 2jww s ILE 58 CO -0.02 0.57 0.13 -1.61 0.00 0.00 0.00 174.94 174.01 2jww s GLU 59 N -0.52 3.89 0.41 2.79 2.02 -1.26 -1.89 118.70 124.14 2jww s GLU 59 Ca 0.10 -0.36 0.34 0.00 0.02 0.00 0.00 54.97 55.06 2jww s GLU 59 Cb -0.12 -3.46 1.33 0.00 0.10 0.00 0.00 34.13 31.98 2jww s GLU 59 CO 0.02 -0.06 1.30 -0.85 0.02 0.00 0.00 175.26 175.69 2jww n GLU 60 N 4.60 -0.02 0.02 1.61 -0.00 -1.16 0.17 120.64 125.87 2jww n GLU 60 Ca -0.15 0.98 -0.13 0.00 -0.00 0.00 0.00 57.16 57.86 2jww n GLU 60 Cb 0.52 -2.07 -0.08 0.00 -0.00 0.00 0.00 31.44 29.81 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 -0.02 0.89 -1.84 5.19 -1.93 -3.08 116.42 115.64 2jww h ASP 61 Ca 0.75 -0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 2jww h ASP 61 Cb 2.70 0.01 0.00 0.00 0.18 0.00 0.00 39.33 42.22 2jww h ASP 61 CO -0.22 0.21 -0.73 -0.33 -3.12 0.00 0.00 179.24 175.05 2jww h GLU 62 N -0.25 0.00 -0.59 3.56 3.07 0.21 -3.34 114.58 117.23 2jww h GLU 62 Ca -0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.02 2jww h GLU 62 Cb 0.24 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.13 2jww h GLU 62 CO 0.00 0.00 0.42 1.25 -1.40 0.00 0.00 179.01 179.29 2jww h LEU 63 N 0.00 0.03 -1.66 1.33 5.85 0.19 0.16 115.31 121.20 2jww h LEU 63 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2jww h LEU 63 Cb 0.81 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2jww h LEU 63 CO 0.00 0.02 -0.18 1.23 -0.34 0.00 0.00 178.44 179.16 2jww h GLY 64 N 0.03 0.00 0.00 3.75 0.00 -1.68 -0.39 103.07 104.78 2jww h GLY 64 Ca 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 2jww h GLY 64 CO -0.01 0.00 -0.35 0.23 0.00 0.00 0.00 176.54 176.40 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.87 -0.97 -3.34 113.55 110.30 2jww h SER 65 Ca -0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2jww h SER 65 Cb 0.45 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2jww h SER 65 CO 0.02 0.87 0.01 -0.29 -0.53 0.00 0.00 176.83 176.92 2jww h ILE 66 N -1.00 0.00 -0.47 2.23 6.09 -1.41 -2.57 117.51 120.38 2jww h ILE 66 Ca -0.07 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.56 2jww h ILE 66 Cb 0.62 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 2jww h ILE 66 CO -0.04 0.00 0.57 -0.07 -3.07 0.00 0.00 178.15 175.54 2jww h LEU 67 N 0.00 0.00 -1.42 2.19 -0.00 -1.18 -1.53 115.31 113.37 2jww h LEU 67 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2jww h LEU 67 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2jww h LEU 67 CO 0.00 0.00 0.56 0.11 -0.00 0.00 0.00 178.44 179.11 2jww h LYS 68 N 0.00 0.00 -0.70 1.13 1.57 -1.72 -2.04 116.57 114.81 2jww h LYS 68 Ca 0.22 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 59.11 2jww h LYS 68 Cb 1.36 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.55 2jww h LYS 68 CO -0.00 0.00 -0.38 0.78 -0.57 0.00 0.00 179.45 179.28 2jww h GLY 69 N 0.00 -0.18 0.10 3.86 0.00 -1.57 1.41 103.07 106.70 2jww h GLY 69 Ca 0.04 0.50 -0.39 0.00 0.00 0.00 0.00 47.33 47.48 2jww h GLY 69 CO -0.00 -0.19 -2.40 1.97 0.00 0.00 0.00 176.54 175.92 2jww n PHE 70 N -5.43 0.21 1.75 5.60 -1.74 -0.88 -4.37 117.46 112.60 2jww n PHE 70 Ca 0.05 0.04 0.10 0.00 -0.56 0.00 0.00 57.45 57.09 2jww n PHE 70 Cb 0.36 -1.03 0.60 0.00 1.52 0.00 0.00 39.48 40.94 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 -3.29 0.00 -0.17 5.98 3.41 -0.82 -4.15 113.62 114.58 2jww n SER 71 Ca -0.44 -1.12 0.29 0.00 -0.26 0.00 0.00 58.87 57.35 2jww n SER 71 Cb 1.00 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.57 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 -0.90 4.04 0.87 0.17 1.58 113.55 119.31 2jww h SER 72 Ca 0.00 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.94 2jww h SER 72 Cb 0.00 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 61.60 2jww h SER 72 CO 0.00 0.00 0.02 -0.90 -0.53 0.00 0.00 176.83 175.42 2jww n ASP 73 N -3.57 6.30 -0.02 6.23 5.75 -1.26 -4.99 116.55 125.00 2jww n ASP 73 Ca 0.20 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.21 2jww n ASP 73 Cb 1.24 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 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 -0.80 0.00 -1.45 2.12 0.00 0.54 -4.66 120.51 116.25 2jww n ALA 74 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2jww n ALA 74 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 3.22 -4.17 0.00 1.74 -1.26 -4.96 116.66 111.23 2jww n ARG 75 Ca 0.00 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 2jww n ARG 75 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 2jww n ARG 75 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2jww n ASP 76 N 0.00 -0.90 -4.72 0.55 9.92 -1.26 -4.73 116.55 115.41 2jww n ASP 76 Ca 0.00 -3.12 -0.42 0.00 -0.53 0.00 0.00 54.79 50.72 2jww n ASP 76 Cb 0.00 1.93 -0.03 0.00 -0.64 0.00 0.00 41.12 42.38 2jww n ASP 76 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2jww s LEU 77 N 0.00 4.38 0.00 0.64 0.05 -1.26 -4.66 118.68 117.83 2jww s LEU 77 Ca 0.37 2.41 0.02 0.00 0.05 0.00 0.00 54.13 56.98 2jww s LEU 77 Cb 0.01 -3.60 0.02 0.00 -2.05 0.00 0.00 46.19 40.58 2jww s LEU 77 CO 0.26 -0.65 0.19 -1.20 -0.55 0.00 0.00 176.35 174.40 2jww n SER 78 N 3.50 0.96 -0.18 1.48 7.64 -1.26 -4.61 113.62 121.15 2jww n SER 78 Ca 0.10 -1.49 -0.03 0.00 1.01 0.00 0.00 58.87 58.47 2jww n SER 78 Cb 0.42 -0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.52 0.26 -0.21 -0.43 0.00 -1.95 0.97 119.26 118.42 2jww h ALA 79 Ca -0.09 0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.07 2jww h ALA 79 Cb 0.36 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2jww h ALA 79 CO 0.13 -0.50 -0.09 0.87 0.00 0.00 0.00 179.25 179.66 2jww h LYS 80 N -0.06 -0.05 0.00 0.00 1.57 -1.92 -1.15 116.57 114.96 2jww h LYS 80 Ca 0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 2jww h LYS 80 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2jww h LYS 80 CO -0.60 -0.04 -0.25 0.93 -0.57 0.00 0.00 179.45 178.92 2jww h GLU 81 N -0.05 0.00 0.27 3.15 4.39 -1.35 1.45 114.58 122.44 2jww h GLU 81 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2jww h GLU 81 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2jww h GLU 81 CO -0.25 0.25 -0.16 1.15 -1.16 0.00 0.00 179.01 178.85 2jww h THR 82 N 0.00 0.67 0.00 1.13 2.02 0.22 1.44 112.91 118.38 2jww h THR 82 Ca -0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.98 2jww h THR 82 Cb 0.50 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2jww h THR 82 CO 0.03 0.00 -0.92 0.11 0.37 0.00 0.00 175.52 175.11 2jww h LYS 83 N -0.41 0.00 0.00 6.66 1.79 -1.22 -2.36 116.57 121.03 2jww h LYS 83 Ca -0.03 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2jww h LYS 83 Cb 0.33 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2jww h LYS 83 CO 0.04 0.92 -0.49 1.15 -1.08 0.00 0.00 179.45 179.99 2jww h THR 84 N 0.00 0.21 0.00 -0.16 2.02 0.23 -3.31 112.91 111.90 2jww h THR 84 Ca -0.01 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 65.94 2jww h THR 84 Cb 1.65 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2jww h THR 84 CO 0.12 0.07 -0.01 -0.07 0.37 0.00 0.00 175.52 176.00 2jww h LEU 85 N -1.00 0.01 -0.00 2.58 -0.00 0.17 -2.18 115.31 114.89 2jww h LEU 85 Ca -0.05 -0.89 -0.01 0.00 -0.00 0.00 0.00 57.88 56.93 2jww h LEU 85 Cb 0.54 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 2jww h LEU 85 CO -0.03 0.90 -0.02 0.24 -0.00 0.00 0.00 178.44 179.53 2jww h MET 86 N -0.88 0.02 -0.49 1.13 2.86 -0.89 -0.37 114.93 116.31 2jww h MET 86 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2jww h MET 86 Cb 0.90 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2jww h MET 86 CO 0.00 0.67 0.23 0.00 1.06 0.00 0.00 176.91 178.87 2jww h ALA 87 N 0.35 1.48 0.07 6.32 0.00 -1.51 0.26 119.26 126.24 2jww h ALA 87 Ca -0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2jww h ALA 87 Cb 0.68 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.29 2jww h ALA 87 CO 0.00 0.41 -1.15 0.00 0.00 0.00 0.00 179.25 178.51 2jww h ALA 88 N 1.57 0.09 -0.12 0.00 0.00 -1.44 -3.22 119.26 116.14 2jww h ALA 88 Ca 0.17 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 54.25 2jww h ALA 88 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jww h ALA 88 CO -0.02 0.72 -0.30 0.78 0.00 0.00 0.00 179.25 180.43 2jww h GLY 89 N 0.53 0.24 -3.60 0.00 0.00 -0.66 -2.73 103.07 96.85 2jww h GLY 89 Ca -0.16 -0.19 -0.44 0.00 0.00 0.00 0.00 47.33 46.55 2jww h GLY 89 CO 0.22 0.18 0.56 2.09 0.00 0.00 0.00 176.54 179.59 2jww n ASP 90 N -4.12 5.95 -0.26 0.19 5.68 0.88 -2.28 116.55 122.59 2jww n ASP 90 Ca -0.01 -3.28 -0.01 0.00 -0.50 0.00 0.00 54.79 50.98 2jww n ASP 90 Cb 0.40 -0.94 0.02 0.00 -1.14 0.00 0.00 41.12 39.45 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 -0.17 -1.06 0.11 0.00 -1.03 0.21 118.16 115.91 2jww n LYS 91 Ca 0.43 1.05 -0.24 0.00 0.00 0.00 0.00 58.31 59.55 2jww n LYS 91 Cb 0.82 -1.55 0.08 0.00 0.00 0.00 0.00 35.03 34.38 2jww n LYS 91 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jww n ASP 92 N -4.99 6.12 -2.02 3.14 2.03 -1.26 -4.91 116.55 114.67 2jww n ASP 92 Ca 0.06 -3.36 -0.05 0.00 0.52 0.00 0.00 54.79 51.96 2jww n ASP 92 Cb 0.26 -0.95 -0.01 0.00 -0.72 0.00 0.00 41.12 39.70 2jww n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jww n GLY 93 N -0.40 3.97 0.58 0.27 0.00 0.56 -5.02 105.19 105.14 2jww n GLY 93 Ca 0.46 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.80 3.24 0.00 1.61 5.75 -1.26 -4.88 116.55 119.20 2jww n ASP 94 Ca -0.02 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 2jww n ASP 94 Cb 0.11 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 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 -0.65 1.90 3.29 6.12 0.00 -1.26 -5.10 105.19 109.49 2jww n GLY 95 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.32 0.53 -0.33 1.61 3.01 -1.26 -3.00 119.74 119.98 2jww s LYS 96 Ca 0.00 0.41 -0.06 0.00 -1.01 0.00 0.00 55.97 55.30 2jww s LYS 96 Cb 0.00 0.25 0.04 0.00 -1.01 0.00 0.00 37.83 37.11 2jww s LYS 96 CO 0.00 -0.09 0.09 0.42 0.51 0.00 0.00 175.35 176.28 2jww s ILE 97 N -0.12 3.75 0.00 2.17 1.01 -0.79 -4.63 121.20 122.59 2jww s ILE 97 Ca -0.03 -1.08 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2jww s ILE 97 Cb -0.03 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2jww s ILE 97 CO 0.02 -0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2jww n GLY 98 N 4.81 1.70 0.24 6.18 0.00 -1.26 -2.80 105.19 114.06 2jww n GLY 98 Ca -0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 43.94 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 1.27 0.12 1.61 3.04 -1.95 -1.17 116.25 119.18 2jww h VAL 99 Ca 0.00 -1.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.35 2jww h VAL 99 Cb 0.00 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2jww h VAL 99 CO 0.00 0.42 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.59 2jww h GLU 100 N 0.44 -0.16 0.00 4.17 4.39 -1.94 -3.30 114.58 118.18 2jww h GLU 100 Ca 0.06 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 2jww h GLU 100 Cb 0.72 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2jww h GLU 100 CO 0.05 0.31 -0.09 0.93 -1.16 0.00 0.00 179.01 179.06 2jww h GLU 101 N -0.87 0.00 -0.87 2.33 3.07 -1.88 -2.39 114.58 113.97 2jww h GLU 101 Ca -0.02 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 59.04 2jww h GLU 101 Cb 0.54 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.39 2jww h GLU 101 CO 0.03 0.09 0.58 0.35 -1.40 0.00 0.00 179.01 178.66 2jww h PHE 102 N 0.00 0.48 0.09 4.33 3.57 -1.29 0.26 116.94 124.37 2jww h PHE 102 Ca -0.00 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 2jww h PHE 102 Cb 0.17 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.77 2jww h PHE 102 CO 0.00 0.13 -1.14 0.66 -2.23 0.00 0.00 178.31 175.74 2jww h SER 103 N 0.36 0.41 -0.12 0.41 4.64 -1.59 -3.33 113.55 114.34 2jww h SER 103 Ca 0.45 -0.41 0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2jww h SER 103 Cb 1.17 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2jww h SER 103 CO -0.15 1.28 -0.04 0.74 -0.87 0.00 0.00 176.83 177.78 2jww h THR 104 N 0.11 0.84 -0.05 2.95 2.02 -0.53 -1.00 112.91 117.25 2jww h THR 104 Ca -0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.09 2jww h THR 104 Cb 1.84 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2jww h THR 104 CO 0.19 0.00 0.06 0.17 0.37 0.00 0.00 175.52 176.31 2jww h LEU 105 N -0.02 0.00 -0.95 2.58 -0.00 -0.97 -0.92 115.31 115.03 2jww h LEU 105 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.94 2jww h LEU 105 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 40.74 2jww h LEU 105 CO -0.14 0.00 0.55 0.58 -0.00 0.00 0.00 178.44 179.43 2jww h VAL 106 N 0.00 1.26 0.00 0.15 2.07 -1.28 -1.17 116.25 117.28 2jww h VAL 106 Ca 0.02 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2jww h VAL 106 Cb 0.14 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2jww h VAL 106 CO -0.00 0.28 -0.48 0.00 0.02 0.00 0.00 177.57 177.39 2jww h ALA 107 N 1.31 0.80 0.07 1.67 0.00 -1.14 -3.34 119.26 118.62 2jww h ALA 107 Ca 0.34 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jww h ALA 107 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jww h ALA 107 CO -0.06 0.60 -0.03 0.93 0.00 0.00 0.00 179.25 180.68 2jww h GLU 108 N 0.00 -0.08 0.00 0.00 4.39 -0.83 -3.53 114.58 114.53 2jww h GLU 108 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jww h GLU 108 Cb 1.18 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2jww h GLU 108 CO 0.06 -0.06 0.00 0.43 -1.16 0.00 0.00 179.01 178.29