#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 2.25 0.00 1.43 2.00 -1.26 -4.80 117.12 116.74 2jww n MET 2 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 57.70 58.52 2jww n MET 2 Cb 0.00 -2.67 0.00 0.00 0.00 0.00 0.00 33.22 30.55 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 5.00 0.00 0.11 2.03 -2.24 -1.26 -4.31 114.28 113.61 2jww n THR 3 Ca 0.22 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.04 2jww n THR 3 Cb 0.31 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 3.58 -2.00 -3.38 116.42 118.04 2jww h ASP 4 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jww h ASP 4 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2jww h ASP 4 CO 0.00 0.38 0.00 0.18 -2.88 0.00 0.00 179.24 176.92 2jww n LEU 5 N -3.01 0.00 -4.79 2.28 4.32 -1.26 -4.99 117.00 109.54 2jww n LEU 5 Ca -0.02 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.61 2jww n LEU 5 Cb 0.71 -0.48 -0.04 0.00 -1.62 0.00 0.00 43.42 41.98 2jww n LEU 5 CO 0.40 -0.49 0.72 -0.76 -1.22 0.00 0.00 177.39 176.04 2jww s LEU 6 N -4.96 4.08 -0.26 2.23 1.43 -1.26 -4.80 118.68 115.13 2jww s LEU 6 Ca 0.00 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 54.79 2jww s LEU 6 Cb 0.00 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.88 2jww s LEU 6 CO 0.00 -0.52 2.24 -1.20 0.23 0.00 0.00 176.35 177.10 2jww n SER 7 N -0.26 2.99 -0.15 2.29 7.64 -1.26 -4.03 113.62 120.84 2jww n SER 7 Ca 0.06 0.18 -0.10 0.00 1.01 0.00 0.00 58.87 60.02 2jww n SER 7 Cb 0.51 -1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.19 2jww n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 8 N 14.96 0.60 -0.88 -0.43 0.00 -1.75 -1.78 119.26 129.98 2jww h ALA 8 Ca -0.37 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.34 2jww h ALA 8 Cb 1.26 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2jww h ALA 8 CO 0.98 0.37 0.55 1.49 0.00 0.00 0.00 179.25 182.64 2jww h GLU 9 N 0.62 0.99 0.12 0.00 4.81 -1.93 -2.15 114.58 117.03 2jww h GLU 9 Ca 0.13 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2jww h GLU 9 Cb 0.46 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2jww h GLU 9 CO 0.02 0.65 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.46 2jww h ASP 10 N 1.02 -0.13 -0.79 1.04 5.19 -1.81 -2.48 116.42 118.45 2jww h ASP 10 Ca 0.37 -0.37 0.16 0.00 -0.62 0.00 0.00 57.03 56.57 2jww h ASP 10 Cb 0.13 0.03 -0.05 0.00 0.18 0.00 0.00 39.33 39.62 2jww h ASP 10 CO -0.16 0.34 0.53 0.40 -3.12 0.00 0.00 179.24 177.22 2jww h ILE 11 N -0.65 0.78 0.07 0.35 2.04 -1.21 1.33 117.51 120.23 2jww h ILE 11 Ca -0.02 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 2jww h ILE 11 Cb 0.50 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2jww h ILE 11 CO 0.03 0.08 -0.04 0.11 0.00 0.00 0.00 178.15 178.33 2jww h LYS 12 N 0.45 -0.10 0.12 2.37 1.57 -1.37 -2.14 116.57 117.48 2jww h LYS 12 Ca 0.39 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.18 2jww h LYS 12 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jww h LYS 12 CO -0.14 0.37 -0.06 0.87 -0.57 0.00 0.00 179.45 179.92 2jww h LYS 13 N -0.60 -0.16 -0.90 3.15 1.57 -0.79 -2.62 116.57 116.22 2jww h LYS 13 Ca -0.01 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 2jww h LYS 13 Cb 0.51 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.77 2jww h LYS 13 CO 0.02 0.26 0.53 0.00 -0.57 0.00 0.00 179.45 179.69 2jww h ALA 14 N 0.14 1.35 0.06 3.86 0.00 0.16 1.37 119.26 126.20 2jww h ALA 14 Ca -0.02 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jww h ALA 14 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jww h ALA 14 CO 0.03 0.09 -0.03 0.82 0.00 0.00 0.00 179.25 180.15 2jww h ILE 15 N 0.82 1.16 -0.01 0.00 2.04 -1.41 -3.19 117.51 116.92 2jww h ILE 15 Ca 0.46 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2jww h ILE 15 Cb 0.51 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 2jww h ILE 15 CO -0.29 0.19 -0.22 0.61 0.00 0.00 0.00 178.15 178.45 2jww n GLY 16 N -0.18 -0.58 0.08 5.37 0.00 -0.98 -3.53 105.19 105.37 2jww n GLY 16 Ca -0.08 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 3.74 0.02 -2.04 4.61 0.00 0.18 -3.42 119.26 122.36 2jww h ALA 17 Ca 0.00 -0.64 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 2jww h ALA 17 Cb 0.49 0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.01 2jww h ALA 17 CO 0.00 0.18 -1.08 1.97 0.00 0.00 0.00 179.25 180.32 2jww n PHE 18 N -4.48 0.64 -0.20 0.00 -1.74 -1.21 -4.96 117.46 105.51 2jww n PHE 18 Ca -0.14 -3.78 0.01 0.00 -0.56 0.00 0.00 57.45 52.98 2jww n PHE 18 Cb 0.58 -0.41 0.11 0.00 1.52 0.00 0.00 39.48 41.27 2jww n PHE 18 CO 0.00 0.00 0.00 1.79 -0.56 0.00 0.00 176.76 177.99 2jww h THR 19 N 1.64 0.56 -0.67 1.97 1.35 -1.79 -1.60 112.91 114.37 2jww h THR 19 Ca 0.10 -0.06 0.13 0.00 -0.55 0.00 0.00 66.41 66.02 2jww h THR 19 Cb 0.87 0.36 -0.13 0.00 -1.73 0.00 0.00 68.15 67.53 2jww h THR 19 CO 0.54 0.03 -0.24 0.00 -0.25 0.00 0.00 175.52 175.60 2jww h ALA 20 N 1.53 0.26 -0.47 6.62 0.00 -1.92 1.55 119.26 126.82 2jww h ALA 20 Ca 0.32 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.56 2jww h ALA 20 Cb 0.51 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2jww h ALA 20 CO -0.47 -0.52 -0.05 0.00 0.00 0.00 0.00 179.25 178.21 2jww h ALA 21 N 1.43 0.38 -0.17 0.00 0.00 -1.61 0.50 119.26 119.79 2jww h ALA 21 Ca 0.30 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 2jww h ALA 21 Cb 0.53 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2jww h ALA 21 CO -0.71 -0.42 -0.22 -0.44 0.00 0.00 0.00 179.25 177.46 2jww h ASP 22 N 0.06 0.29 0.21 0.00 5.19 -0.63 1.12 116.42 122.67 2jww h ASP 22 Ca 0.23 -0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.56 2jww h ASP 22 Cb 0.35 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.76 2jww h ASP 22 CO -0.44 0.53 -0.24 -1.28 -3.12 0.00 0.00 179.24 174.70 2jww h SER 23 N 0.27 -0.64 0.17 6.45 0.87 0.67 -2.95 113.55 118.39 2jww h SER 23 Ca 0.05 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2jww h SER 23 Cb 0.55 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2jww h SER 23 CO 0.04 -0.34 -0.72 2.22 -0.53 0.00 0.00 176.83 177.49 2jww n PHE 24 N -5.36 0.00 -2.98 2.24 1.16 0.39 -4.29 117.46 108.61 2jww n PHE 24 Ca -0.08 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.52 2jww n PHE 24 Cb 0.27 -0.08 0.00 0.00 -1.61 0.00 0.00 39.48 38.06 2jww n PHE 24 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2jww s ASP 25 N -2.89 -0.76 0.25 5.98 1.01 0.39 -4.62 116.67 116.03 2jww s ASP 25 Ca 0.12 -0.25 0.23 0.00 0.71 0.00 0.00 52.55 53.36 2jww s ASP 25 Cb 0.17 1.10 0.97 0.00 1.01 0.00 0.00 42.92 46.17 2jww s ASP 25 CO 0.75 -0.10 1.71 1.41 0.21 0.00 0.00 175.17 179.15 2jww n HIS 26 N 4.29 0.80 -0.12 4.23 8.25 -1.12 -3.32 115.22 128.23 2jww n HIS 26 Ca 0.08 0.31 -0.05 0.00 -0.26 0.00 0.00 57.72 57.79 2jww n HIS 26 Cb 0.60 -1.00 0.01 0.00 1.12 0.00 0.00 29.99 30.72 2jww n HIS 26 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2jww h LYS 27 N 0.00 -0.13 -0.31 -0.41 1.79 -1.90 1.29 116.57 116.90 2jww h LYS 27 Ca 0.00 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.49 2jww h LYS 27 Cb 0.37 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2jww h LYS 27 CO 0.00 -0.09 0.18 0.87 -1.08 0.00 0.00 179.45 179.34 2jww h LYS 28 N -0.13 0.36 -0.82 3.15 6.56 -1.89 0.23 116.57 124.03 2jww h LYS 28 Ca 0.20 -0.02 0.13 0.00 -1.06 0.00 0.00 60.65 59.90 2jww h LYS 28 Cb 0.44 -0.08 -0.06 0.00 -0.57 0.00 0.00 32.23 31.96 2jww h LYS 28 CO -0.50 0.24 0.54 0.35 -2.06 0.00 0.00 179.45 178.02 2jww h PHE 29 N 0.37 0.72 -0.80 -1.35 3.57 -1.14 0.20 116.94 118.51 2jww h PHE 29 Ca 0.12 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.84 2jww h PHE 29 Cb -0.00 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 2jww h PHE 29 CO -0.07 0.29 0.55 0.35 -2.23 0.00 0.00 178.31 177.19 2jww h PHE 30 N 0.63 0.25 0.10 0.41 3.04 0.37 1.20 116.94 122.93 2jww h PHE 30 Ca 0.40 0.01 -0.21 0.00 3.98 0.00 0.00 57.97 62.15 2jww h PHE 30 Cb 0.67 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.11 2jww h PHE 30 CO -0.00 0.07 -1.03 1.96 -2.02 0.00 0.00 178.31 177.29 2jww h GLN 31 N 0.19 0.20 -0.10 1.11 4.20 -0.50 -2.31 115.11 117.92 2jww h GLN 31 Ca 0.39 -0.35 -0.16 0.00 0.06 0.00 0.00 58.65 58.59 2jww h GLN 31 Cb 1.25 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 2jww h GLN 31 CO -0.08 1.17 -0.64 0.52 -0.67 0.00 0.00 178.83 179.13 2jww h MET 32 N -0.49 0.37 0.00 1.46 0.00 -0.72 -2.97 114.93 112.58 2jww h MET 32 Ca -0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 59.70 59.21 2jww h MET 32 Cb 1.58 0.04 -0.00 0.00 0.00 0.00 0.00 31.60 33.22 2jww h MET 32 CO 0.05 0.89 -0.03 -0.24 0.00 0.00 0.00 176.91 177.58 2jww h VAL 33 N 0.27 0.14 0.00 -2.22 3.04 0.13 -3.41 116.25 114.19 2jww h VAL 33 Ca -0.01 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 2jww h VAL 33 Cb 1.18 1.26 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2jww h VAL 33 CO 0.11 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.31 2jww n GLY 34 N -0.61 0.70 0.26 3.17 0.00 -1.12 -3.61 105.19 103.99 2jww n GLY 34 Ca -0.01 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.40 0.00 0.99 3.38 -1.66 -0.20 115.31 118.22 2jww h LEU 35 Ca 0.00 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2jww h LEU 35 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2jww h LEU 35 CO 0.00 0.48 -0.49 0.11 0.09 0.00 0.00 178.44 178.63 2jww h LYS 36 N 0.41 0.00 -0.90 1.13 1.57 -1.84 -3.31 116.57 113.64 2jww h LYS 36 Ca 0.09 0.00 0.21 0.00 -1.87 0.00 0.00 60.65 59.09 2jww h LYS 36 Cb 0.30 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.49 2jww h LYS 36 CO 0.01 0.28 0.41 -0.22 -0.57 0.00 0.00 179.45 179.37 2jww h LYS 37 N 0.00 0.42 0.00 3.15 3.11 -1.34 -3.41 116.57 118.51 2jww h LYS 37 Ca -0.02 -0.03 -0.51 0.00 -2.81 0.00 0.00 60.65 57.29 2jww h LYS 37 Cb 1.26 -0.10 0.02 0.00 -1.00 0.00 0.00 32.23 32.41 2jww h LYS 37 CO 0.04 0.28 -0.10 1.63 -2.81 0.00 0.00 179.45 178.49 2jww n LYS 38 N -5.01 0.61 -2.52 1.90 4.76 -1.21 -5.09 118.16 111.59 2jww n LYS 38 Ca 0.22 -3.22 -0.27 0.00 -2.87 0.00 0.00 58.31 52.17 2jww n LYS 38 Cb 0.64 -0.16 0.02 0.00 -1.84 0.00 0.00 35.03 33.68 2jww n LYS 38 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2jww s SER 39 N -4.61 5.91 0.53 4.39 0.01 -1.26 -4.87 113.70 113.79 2jww s SER 39 Ca 0.58 0.80 0.32 0.00 1.31 0.00 0.00 55.95 58.95 2jww s SER 39 Cb -0.05 -1.95 1.47 0.00 0.21 0.00 0.00 66.02 65.71 2jww s SER 39 CO 0.37 -0.83 1.87 0.00 0.41 0.00 0.00 173.24 175.06 2jww h ALA 40 N 0.03 2.86 -0.22 1.44 0.00 -1.91 0.10 119.26 121.55 2jww h ALA 40 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2jww h ALA 40 Cb 1.23 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jww h ALA 40 CO 0.61 -1.13 0.05 -0.44 0.00 0.00 0.00 179.25 178.33 2jww h ASP 41 N 0.03 0.34 0.26 0.00 5.19 -1.99 -0.10 116.42 120.16 2jww h ASP 41 Ca 0.46 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2jww h ASP 41 Cb 1.79 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 41.21 2jww h ASP 41 CO -0.02 0.50 -0.13 0.44 -3.12 0.00 0.00 179.24 176.91 2jww h ASP 42 N 0.18 -0.30 -0.89 6.45 5.19 -1.18 -2.87 116.42 123.00 2jww h ASP 42 Ca 0.07 -0.07 0.06 0.00 -0.62 0.00 0.00 57.03 56.46 2jww h ASP 42 Cb 0.29 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 39.82 2jww h ASP 42 CO 0.00 -0.11 0.58 -0.37 -3.12 0.00 0.00 179.24 176.22 2jww h VAL 43 N -0.47 1.08 -0.98 -1.35 -1.51 -1.43 -1.61 116.25 109.98 2jww h VAL 43 Ca -0.04 -0.35 0.28 0.00 -1.23 0.00 0.00 66.70 65.36 2jww h VAL 43 Cb 0.35 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.44 2jww h VAL 43 CO 0.06 0.19 0.70 0.11 -1.23 0.00 0.00 177.57 177.40 2jww h LYS 44 N 1.03 0.00 0.24 5.19 1.57 -0.77 -0.63 116.57 123.19 2jww h LYS 44 Ca 0.38 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2jww h LYS 44 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2jww h LYS 44 CO -0.14 0.00 -0.17 0.87 -0.57 0.00 0.00 179.45 179.45 2jww h LYS 45 N 0.00 -0.39 -0.48 3.15 6.56 -1.29 -0.78 116.57 123.35 2jww h LYS 45 Ca 0.46 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 60.22 2jww h LYS 45 Cb 1.86 0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 33.59 2jww h LYS 45 CO -0.01 -0.26 0.52 -0.24 -2.06 0.00 0.00 179.45 177.41 2jww h VAL 46 N -0.40 0.34 0.16 0.50 3.04 -1.26 -1.28 116.25 117.35 2jww h VAL 46 Ca -0.02 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2jww h VAL 46 Cb 0.35 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.18 2jww h VAL 46 CO 0.01 0.00 -0.44 0.15 -1.01 0.00 0.00 177.57 176.28 2jww h PHE 47 N 0.00 -1.26 -0.22 3.17 3.57 -1.13 0.23 116.94 121.30 2jww h PHE 47 Ca 0.23 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 2jww h PHE 47 Cb 1.27 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 2jww h PHE 47 CO 0.00 -0.51 -0.12 0.45 -2.23 0.00 0.00 178.31 175.90 2jww h HIS 48 N -0.67 0.37 -0.39 0.41 3.86 -1.32 1.51 115.15 118.91 2jww h HIS 48 Ca -0.01 -0.05 0.07 0.00 -1.16 0.00 0.00 60.37 59.22 2jww h HIS 48 Cb 0.65 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.95 2jww h HIS 48 CO -0.39 0.46 -0.01 0.82 0.86 0.00 0.00 177.93 179.67 2jww h ILE 49 N 0.33 0.69 0.00 2.45 2.04 -0.94 0.59 117.51 122.67 2jww h ILE 49 Ca 0.07 -0.03 -0.27 0.00 1.00 0.00 0.00 64.86 65.62 2jww h ILE 49 Cb 0.41 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2jww h ILE 49 CO 0.02 0.02 -1.55 0.17 0.00 0.00 0.00 178.15 176.81 2jww h LEU 50 N 0.09 0.01 -5.21 1.44 8.10 0.28 -3.38 115.31 116.63 2jww h LEU 50 Ca 0.19 -0.01 -0.59 0.00 0.11 0.00 0.00 57.88 57.58 2jww h LEU 50 Cb 0.27 -0.00 -0.42 0.00 -0.44 0.00 0.00 40.66 40.07 2jww h LEU 50 CO -0.33 1.01 -0.65 -0.90 -4.11 0.00 0.00 178.44 173.46 2jww n ASP 51 N -3.12 4.50 0.03 0.17 5.68 0.51 -4.83 116.55 119.48 2jww n ASP 51 Ca -0.13 -3.69 -0.08 0.00 -0.50 0.00 0.00 54.79 50.39 2jww n ASP 51 Cb 1.03 -0.55 0.08 0.00 -1.14 0.00 0.00 41.12 40.54 2jww n ASP 51 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2jww h LYS 52 N 2.94 0.45 -0.24 0.11 -0.00 -0.01 -3.24 116.57 116.57 2jww h LYS 52 Ca 0.15 -0.29 -0.09 0.00 -0.00 0.00 0.00 60.65 60.41 2jww h LYS 52 Cb 0.55 0.04 -0.06 0.00 -0.00 0.00 0.00 32.23 32.76 2jww h LYS 52 CO 0.82 0.90 -0.10 -3.47 -0.00 0.00 0.00 179.45 177.60 2jww n ASP 53 N -3.93 2.72 -0.57 7.07 2.03 -1.26 -4.54 116.55 118.06 2jww n ASP 53 Ca -0.03 -3.52 0.12 0.00 0.52 0.00 0.00 54.79 51.88 2jww n ASP 53 Cb 0.61 -0.58 0.14 0.00 -0.72 0.00 0.00 41.12 40.57 2jww n ASP 53 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jww n LYS 54 N -1.01 1.48 -1.02 -0.67 4.76 -1.22 -4.95 118.16 115.53 2jww n LYS 54 Ca 0.26 -1.15 -0.01 0.00 -2.87 0.00 0.00 58.31 54.54 2jww n LYS 54 Cb 0.91 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.62 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2jww n SER 55 N 0.25 -3.56 0.00 4.39 2.88 -1.26 -3.16 113.62 113.16 2jww n SER 55 Ca 0.12 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2jww n SER 55 Cb 0.47 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 2jww n SER 55 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jww n GLY 56 N -2.28 0.92 3.46 0.46 0.00 -1.26 -5.08 105.19 101.41 2jww n GLY 56 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 -0.72 -0.11 1.61 0.40 -1.19 -3.13 117.98 112.84 2jww s PHE 57 Ca 0.00 1.61 -0.04 0.00 -0.60 0.00 0.00 56.93 57.90 2jww s PHE 57 Cb 0.00 0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.82 2jww s PHE 57 CO 0.00 -0.36 0.04 0.42 0.70 0.00 0.00 175.22 176.02 2jww s ILE 58 N 0.89 4.65 -0.18 0.64 1.01 -1.20 -4.73 121.20 122.28 2jww s ILE 58 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 2jww s ILE 58 Cb -0.05 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.39 2jww s ILE 58 CO -0.08 0.58 0.03 -1.61 0.00 0.00 0.00 174.94 173.87 2jww s GLU 59 N -0.68 3.85 0.38 2.79 0.41 -1.26 -3.80 118.70 120.38 2jww s GLU 59 Ca 0.11 -0.41 0.32 0.00 -0.41 0.00 0.00 54.97 54.58 2jww s GLU 59 Cb -0.12 -3.13 1.22 0.00 -1.78 0.00 0.00 34.13 30.33 2jww s GLU 59 CO 0.02 0.22 1.17 -0.85 -0.49 0.00 0.00 175.26 175.34 2jww n GLU 60 N 3.66 -0.01 0.02 1.61 -0.00 -1.26 0.16 120.64 124.82 2jww n GLU 60 Ca -0.17 0.87 -0.13 0.00 -0.00 0.00 0.00 57.16 57.74 2jww n GLU 60 Cb 0.52 -1.87 -0.09 0.00 -0.00 0.00 0.00 31.44 30.00 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 -0.04 1.40 -1.84 3.32 -2.00 -3.14 116.42 114.13 2jww h ASP 61 Ca 0.69 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2jww h ASP 61 Cb 2.53 0.01 0.00 0.00 0.22 0.00 0.00 39.33 42.09 2jww h ASP 61 CO -0.16 0.30 -0.56 -0.33 -1.72 0.00 0.00 179.24 176.77 2jww h GLU 62 N -0.37 0.00 -0.16 3.56 4.39 0.12 -3.36 114.58 118.75 2jww h GLU 62 Ca -0.00 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.75 2jww h GLU 62 Cb 0.35 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 2jww h GLU 62 CO 0.01 0.00 -0.25 1.25 -1.16 0.00 0.00 179.01 178.86 2jww h LEU 63 N 0.00 -0.78 -2.74 1.33 7.12 0.17 0.42 115.31 120.83 2jww h LEU 63 Ca 0.00 0.13 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2jww h LEU 63 Cb 0.98 0.35 -0.00 0.00 -0.53 0.00 0.00 40.66 41.46 2jww h LEU 63 CO 0.00 -0.29 -0.01 1.23 -0.13 0.00 0.00 178.44 179.24 2jww h GLY 64 N -0.30 0.00 0.00 3.75 0.00 -1.69 -0.55 103.07 104.28 2jww h GLY 64 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 2jww h GLY 64 CO -0.33 0.00 -0.12 1.76 0.00 0.00 0.00 176.54 177.85 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.02 -0.91 -3.33 113.55 109.52 2jww h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jww h SER 65 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2jww h SER 65 CO 0.00 0.48 0.27 -0.29 -1.14 0.00 0.00 176.83 176.15 2jww h ILE 66 N -0.84 0.00 -0.81 3.27 6.09 -0.09 -2.60 117.51 122.53 2jww h ILE 66 Ca 0.00 0.00 0.18 0.00 -1.37 0.00 0.00 64.86 63.67 2jww h ILE 66 Cb 0.12 0.62 -0.15 0.00 0.47 0.00 0.00 36.82 37.88 2jww h ILE 66 CO 0.00 0.00 -0.13 -0.07 -3.07 0.00 0.00 178.15 174.88 2jww h LEU 67 N 0.00 -0.62 -1.15 2.19 -0.00 -1.21 0.34 115.31 114.86 2jww h LEU 67 Ca 0.00 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2jww h LEU 67 Cb 0.54 0.46 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 2jww h LEU 67 CO 0.00 -0.25 0.36 0.07 -0.00 0.00 0.00 178.44 178.62 2jww h LYS 68 N 0.03 0.00 -0.68 1.13 5.09 -1.70 -1.31 116.57 119.12 2jww h LYS 68 Ca 0.42 0.00 0.14 0.00 0.09 0.00 0.00 60.65 61.29 2jww h LYS 68 Cb 0.69 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 32.89 2jww h LYS 68 CO -0.80 0.00 -0.14 0.78 -2.09 0.00 0.00 179.45 177.20 2jww h GLY 69 N 0.00 0.54 0.00 0.07 0.00 -0.56 1.26 103.07 104.38 2jww h GLY 69 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 47.33 47.18 2jww h GLY 69 CO 0.00 -0.26 -2.01 1.97 0.00 0.00 0.00 176.54 176.24 2jww n PHE 70 N -5.43 0.32 0.76 5.60 1.16 -0.61 -3.30 117.46 115.96 2jww n PHE 70 Ca 0.09 0.14 0.04 0.00 -1.87 0.00 0.00 57.45 55.85 2jww n PHE 70 Cb 0.36 -0.99 0.26 0.00 -1.61 0.00 0.00 39.48 37.50 2jww n PHE 70 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2jww n SER 71 N -4.33 0.00 -0.04 5.98 3.41 -0.60 -4.00 113.62 114.05 2jww n SER 71 Ca -0.44 -0.49 0.23 0.00 -0.26 0.00 0.00 58.87 57.90 2jww n SER 71 Cb 0.78 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 65.25 2jww n SER 71 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2jww h SER 72 N 0.00 0.00 0.33 4.04 4.64 0.14 1.52 113.55 124.22 2jww h SER 72 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2jww h SER 72 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2jww h SER 72 CO 0.00 0.00 -1.85 -0.67 -0.87 0.00 0.00 176.83 173.44 2jww n ASP 73 N -3.30 0.42 -1.39 4.97 -0.08 -1.26 -4.98 116.55 110.93 2jww n ASP 73 Ca 0.15 0.18 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2jww n ASP 73 Cb 1.14 0.79 0.00 0.00 2.34 0.00 0.00 41.12 45.39 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jww n ALA 74 N -2.48 0.00 -2.16 -1.67 0.00 0.52 -4.72 120.51 110.00 2jww n ALA 74 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 2jww n ALA 74 Cb 0.89 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.52 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 -0.41 -0.95 -0.70 0.00 1.74 -1.26 -4.85 116.66 110.24 2jww n ARG 75 Ca 0.00 -2.32 -0.01 0.00 -0.77 0.00 0.00 57.85 54.76 2jww n ARG 75 Cb 0.00 -1.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 -3.57 0.03 -4.80 0.55 8.00 -1.26 -4.77 116.55 110.73 2jww n ASP 76 Ca 0.17 -1.03 -0.38 0.00 0.71 0.00 0.00 54.79 54.26 2jww n ASP 76 Cb 0.59 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.62 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 4.41 0.00 0.64 0.05 -1.26 -4.73 118.68 117.78 2jww s LEU 77 Ca 0.01 0.90 0.04 0.00 0.05 0.00 0.00 54.13 55.13 2jww s LEU 77 Cb -0.00 -2.61 0.04 0.00 -2.05 0.00 0.00 46.19 41.58 2jww s LEU 77 CO 0.01 0.22 0.35 -1.54 -0.55 0.00 0.00 176.35 174.84 2jww n SER 78 N 2.45 1.70 -0.20 1.48 3.41 -1.26 -4.78 113.62 116.41 2jww n SER 78 Ca -0.12 -2.03 -0.01 0.00 -0.26 0.00 0.00 58.87 56.45 2jww n SER 78 Cb 0.52 -0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.40 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jww h ALA 79 N 0.51 0.38 -0.37 7.33 0.00 -1.98 0.32 119.26 125.45 2jww h ALA 79 Ca -0.19 0.24 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2jww h ALA 79 Cb 0.75 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2jww h ALA 79 CO 0.28 -0.44 -0.20 0.87 0.00 0.00 0.00 179.25 179.76 2jww h LYS 80 N -0.01 -0.14 -0.07 0.00 1.57 -1.92 -1.70 116.57 114.30 2jww h LYS 80 Ca 0.29 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.94 2jww h LYS 80 Cb 0.46 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2jww h LYS 80 CO -0.63 -0.09 -0.57 0.93 -0.57 0.00 0.00 179.45 178.51 2jww h GLU 81 N -0.14 0.22 -0.28 3.15 4.39 -1.46 1.42 114.58 121.88 2jww h GLU 81 Ca 0.18 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.79 2jww h GLU 81 Cb 0.42 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 2jww h GLU 81 CO -0.45 0.73 0.00 1.15 -1.16 0.00 0.00 179.01 179.28 2jww h THR 82 N 0.16 0.80 0.04 1.13 2.02 0.42 1.62 112.91 119.11 2jww h THR 82 Ca -0.00 -0.03 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 2jww h THR 82 Cb 1.06 0.71 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 2jww h THR 82 CO 0.09 0.02 -0.79 0.11 0.37 0.00 0.00 175.52 175.32 2jww h LYS 83 N 0.08 0.45 0.14 6.66 1.79 -1.26 -2.98 116.57 121.45 2jww h LYS 83 Ca 0.13 -0.55 -0.01 0.00 -2.18 0.00 0.00 60.65 58.05 2jww h LYS 83 Cb 0.17 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2jww h LYS 83 CO -0.22 1.20 -0.07 1.15 -1.08 0.00 0.00 179.45 180.43 2jww h THR 84 N -0.04 0.80 -0.09 -0.16 2.02 0.23 -2.07 112.91 113.59 2jww h THR 84 Ca -0.11 -1.22 -0.16 0.00 0.77 0.00 0.00 66.41 65.69 2jww h THR 84 Cb 1.51 1.38 0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2jww h THR 84 CO 0.15 0.22 -0.56 -0.07 0.37 0.00 0.00 175.52 175.64 2jww h LEU 85 N -0.91 0.64 0.03 2.58 -0.00 0.22 -1.73 115.31 116.15 2jww h LEU 85 Ca -0.02 -0.66 -0.00 0.00 -0.00 0.00 0.00 57.88 57.20 2jww h LEU 85 Cb 0.51 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2jww h LEU 85 CO 0.03 1.20 -0.02 0.24 -0.00 0.00 0.00 178.44 179.90 2jww h MET 86 N 0.13 -0.05 -0.02 1.13 2.86 -1.17 -2.02 114.93 115.80 2jww h MET 86 Ca -0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2jww h MET 86 Cb 1.21 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 2jww h MET 86 CO 0.11 0.55 -0.13 0.00 1.06 0.00 0.00 176.91 178.50 2jww h ALA 87 N 0.22 1.75 0.42 6.32 0.00 -1.43 -0.85 119.26 125.68 2jww h ALA 87 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2jww h ALA 87 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2jww h ALA 87 CO 0.01 0.19 -0.20 0.00 0.00 0.00 0.00 179.25 179.25 2jww h ALA 88 N 1.84 -0.56 -0.74 0.00 0.00 -1.33 -2.96 119.26 115.52 2jww h ALA 88 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2jww h ALA 88 Cb 0.25 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2jww h ALA 88 CO 0.02 -0.56 0.48 0.78 0.00 0.00 0.00 179.25 179.97 2jww h GLY 89 N -1.07 0.91 -3.72 0.00 0.00 -1.23 -0.96 103.07 97.00 2jww h GLY 89 Ca -0.06 -0.26 -0.50 0.00 0.00 0.00 0.00 47.33 46.51 2jww h GLY 89 CO 0.09 0.16 0.64 2.09 0.00 0.00 0.00 176.54 179.52 2jww n ASP 90 N -4.49 6.70 -0.20 0.19 5.68 -0.34 -3.13 116.55 120.97 2jww n ASP 90 Ca 0.12 -3.42 0.17 0.00 -0.50 0.00 0.00 54.79 51.16 2jww n ASP 90 Cb 0.33 -0.99 0.28 0.00 -1.14 0.00 0.00 41.12 39.61 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 -0.37 -0.02 0.28 0.11 0.00 -0.37 0.19 118.16 118.00 2jww n LYS 91 Ca 0.47 0.53 0.17 0.00 0.00 0.00 0.00 58.31 59.47 2jww n LYS 91 Cb 0.71 -1.04 0.89 0.00 0.00 0.00 0.00 35.03 35.59 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 -2.51 3.14 1.82 -1.86 -3.46 116.42 113.55 2jww h ASP 92 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2jww h ASP 92 Cb 1.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.19 2jww h ASP 92 CO -0.20 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.04 2jww n GLY 93 N -1.19 0.91 0.01 -0.78 0.00 0.52 -5.02 105.19 99.64 2jww n GLY 93 Ca -0.02 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.25 0.38 0.00 1.61 8.00 -1.23 -5.00 116.55 119.05 2jww n ASP 94 Ca 0.00 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.81 2jww n ASP 94 Cb 0.42 0.95 0.00 0.00 -0.02 0.00 0.00 41.12 42.47 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jww n GLY 95 N 1.13 2.92 3.32 0.44 0.00 -1.26 -4.98 105.19 106.76 2jww n GLY 95 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.18 1.26 -0.34 1.61 3.01 -1.26 -4.64 119.74 119.20 2jww s LYS 96 Ca 0.00 -1.46 -0.09 0.00 -1.01 0.00 0.00 55.97 53.41 2jww s LYS 96 Cb 0.00 -1.17 0.02 0.00 -1.01 0.00 0.00 37.83 35.67 2jww s LYS 96 CO 0.00 0.22 0.15 0.42 0.51 0.00 0.00 175.35 176.65 2jww s ILE 97 N -2.47 4.29 0.47 2.17 1.01 -1.25 -4.57 121.20 120.84 2jww s ILE 97 Ca 0.18 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.06 2jww s ILE 97 Cb -0.03 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.13 2jww s ILE 97 CO 0.06 -0.10 0.66 -0.83 0.00 0.00 0.00 174.94 174.73 2jww s GLY 98 N 1.52 1.81 0.42 6.18 0.00 -1.26 -3.25 107.32 112.74 2jww s GLY 98 Ca 0.02 -1.43 0.22 0.00 0.00 0.00 0.00 44.72 43.53 2jww s GLY 98 CO 0.05 -1.21 1.75 -0.24 0.00 0.00 0.00 173.10 173.45 2jww h VAL 99 N 0.39 0.45 0.16 1.40 3.04 -1.95 0.59 116.25 120.33 2jww h VAL 99 Ca -0.42 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.15 2jww h VAL 99 Cb 1.28 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2jww h VAL 99 CO 0.50 0.06 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.71 2jww h GLU 100 N 0.31 -0.21 -0.30 4.17 4.39 -1.93 -3.27 114.58 117.73 2jww h GLU 100 Ca 0.63 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.35 2jww h GLU 100 Cb 1.73 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.41 2jww h GLU 100 CO -0.29 0.22 0.20 0.93 -1.16 0.00 0.00 179.01 178.91 2jww h GLU 101 N -0.85 0.35 -0.42 2.33 3.07 -1.47 -1.57 114.58 116.02 2jww h GLU 101 Ca -0.02 -0.02 0.12 0.00 -0.50 0.00 0.00 59.36 58.94 2jww h GLU 101 Cb 0.53 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 2jww h GLU 101 CO 0.04 0.23 0.48 0.35 -1.40 0.00 0.00 179.01 178.71 2jww h PHE 102 N 0.37 0.00 -0.18 4.33 3.57 0.06 0.25 116.94 125.35 2jww h PHE 102 Ca 0.12 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2jww h PHE 102 Cb 0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2jww h PHE 102 CO -0.00 0.00 -0.22 0.66 -2.23 0.00 0.00 178.31 176.52 2jww h SER 103 N 0.00 0.49 -0.89 0.41 4.64 -1.42 -3.10 113.55 113.69 2jww h SER 103 Ca 0.20 -0.50 0.05 0.00 -0.47 0.00 0.00 61.79 61.07 2jww h SER 103 Cb 1.17 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 2jww h SER 103 CO -0.00 0.90 0.58 0.74 -0.87 0.00 0.00 176.83 178.17 2jww h THR 104 N 0.10 1.11 -0.91 2.95 2.02 -0.64 -0.90 112.91 116.65 2jww h THR 104 Ca 0.02 -0.36 0.17 0.00 0.77 0.00 0.00 66.41 67.01 2jww h THR 104 Cb 0.77 -0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 67.06 2jww h THR 104 CO 0.05 0.19 0.58 0.25 0.37 0.00 0.00 175.52 176.97 2jww h LEU 105 N 1.06 0.58 -0.75 2.58 6.46 -1.37 0.40 115.31 124.27 2jww h LEU 105 Ca 0.37 0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 58.17 2jww h LEU 105 Cb 0.10 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 39.93 2jww h LEU 105 CO -0.12 0.26 0.46 0.58 -0.62 0.00 0.00 178.44 179.00 2jww h VAL 106 N 0.60 1.21 0.00 1.05 2.07 -1.17 -2.13 116.25 117.88 2jww h VAL 106 Ca 0.47 -0.46 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2jww h VAL 106 Cb 0.90 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jww h VAL 106 CO -0.22 0.22 -0.60 0.00 0.02 0.00 0.00 177.57 176.99 2jww h ALA 107 N 1.24 0.66 0.06 1.67 0.00 -0.85 -3.35 119.26 118.69 2jww h ALA 107 Ca 0.27 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2jww h ALA 107 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2jww h ALA 107 CO -0.05 0.75 -0.04 0.93 0.00 0.00 0.00 179.25 180.85 2jww h GLU 108 N 0.00 -0.08 0.00 0.00 4.39 0.32 -3.52 114.58 115.69 2jww h GLU 108 Ca -0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jww h GLU 108 Cb 1.38 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 2jww h GLU 108 CO 0.08 -0.06 0.00 0.45 -1.16 0.00 0.00 179.01 178.32