#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 0.00 0.21 -1.46 1.56 -1.26 -4.26 117.12 111.91 2jww n MET 2 Ca 0.00 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.51 2jww n MET 2 Cb 0.00 0.00 0.46 0.00 2.15 0.00 0.00 33.22 35.83 2jww n MET 2 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 2jww h THR 3 N 0.00 0.74 0.01 1.12 1.35 -1.97 0.88 112.91 115.04 2jww h THR 3 Ca 0.00 -1.16 -0.24 0.00 -0.55 0.00 0.00 66.41 64.46 2jww h THR 3 Cb 0.00 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 2jww h THR 3 CO 0.00 0.27 -1.24 -0.78 -0.25 0.00 0.00 175.52 173.51 2jww h ASP 4 N 0.00 0.04 0.00 5.36 1.82 -2.01 -3.38 116.42 118.26 2jww h ASP 4 Ca -0.00 -0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2jww h ASP 4 Cb 0.71 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.70 2jww h ASP 4 CO 0.04 1.04 -0.74 0.18 -1.61 0.00 0.00 179.24 178.15 2jww n LEU 5 N -3.28 1.58 -4.75 2.28 4.32 -1.09 -4.92 117.00 111.15 2jww n LEU 5 Ca -0.06 0.34 -0.41 0.00 -0.02 0.00 0.00 56.01 55.86 2jww n LEU 5 Cb 0.98 -0.72 -0.04 0.00 -1.62 0.00 0.00 43.42 42.02 2jww n LEU 5 CO 0.47 -0.35 0.81 -0.76 -1.22 0.00 0.00 177.39 176.35 2jww s LEU 6 N -7.45 4.51 -0.28 2.23 1.43 0.30 -4.91 118.68 114.51 2jww s LEU 6 Ca -0.21 2.21 -0.32 0.00 -1.03 0.00 0.00 54.13 54.77 2jww s LEU 6 Cb 0.03 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.55 2jww s LEU 6 CO 0.32 -0.22 2.20 -1.20 0.23 0.00 0.00 176.35 177.68 2jww n SER 7 N 1.87 2.68 0.23 2.29 7.64 -1.26 -4.29 113.62 122.77 2jww n SER 7 Ca 0.01 0.32 0.07 0.00 1.01 0.00 0.00 58.87 60.28 2jww n SER 7 Cb 0.45 -1.40 0.54 0.00 -1.01 0.00 0.00 64.21 62.79 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 13.62 1.63 -0.09 -0.43 0.00 -1.85 -1.86 119.26 130.28 2jww h ALA 8 Ca -0.34 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2jww h ALA 8 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2jww h ALA 8 CO 0.99 0.22 -0.18 1.05 0.00 0.00 0.00 179.25 181.32 2jww h GLU 9 N 0.00 0.28 0.28 0.00 4.11 -1.94 -2.26 114.58 115.05 2jww h GLU 9 Ca -0.00 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 2jww h GLU 9 Cb 0.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jww h GLU 9 CO 0.02 0.78 -0.13 -0.44 0.07 0.00 0.00 179.01 179.31 2jww h ASP 10 N -0.19 -0.32 -0.51 3.06 3.32 -1.74 -0.89 116.42 119.16 2jww h ASP 10 Ca 0.00 -0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.09 2jww h ASP 10 Cb 0.78 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.36 2jww h ASP 10 CO 0.04 -0.20 0.24 0.40 -1.72 0.00 0.00 179.24 178.00 2jww h ILE 11 N -0.41 0.92 0.17 0.35 2.04 -1.37 1.50 117.51 120.71 2jww h ILE 11 Ca -0.04 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2jww h ILE 11 Cb 0.31 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2jww h ILE 11 CO 0.06 0.08 -0.09 0.50 0.00 0.00 0.00 178.15 178.71 2jww h LYS 12 N 0.46 -0.24 0.07 2.37 3.11 -1.25 0.52 116.57 121.61 2jww h LYS 12 Ca 0.23 0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.08 2jww h LYS 12 Cb 0.18 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2jww h LYS 12 CO -0.18 -0.16 -0.03 0.87 -2.81 0.00 0.00 179.45 177.13 2jww h LYS 13 N -0.25 -0.09 -0.91 1.90 1.57 -0.87 -2.56 116.57 115.37 2jww h LYS 13 Ca -0.02 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.89 2jww h LYS 13 Cb 0.19 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 2jww h LYS 13 CO 0.03 0.44 0.58 0.00 -0.57 0.00 0.00 179.45 179.94 2jww h ALA 14 N 0.14 1.73 0.33 3.86 0.00 0.21 1.30 119.26 126.82 2jww h ALA 14 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2jww h ALA 14 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2jww h ALA 14 CO 0.02 0.04 -0.16 0.82 0.00 0.00 0.00 179.25 179.97 2jww h ILE 15 N 0.79 0.46 0.02 0.00 2.04 -0.92 -3.32 117.51 116.58 2jww h ILE 15 Ca 0.45 -0.76 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 2jww h ILE 15 Cb 0.60 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2jww h ILE 15 CO -0.21 0.10 -0.25 1.23 0.00 0.00 0.00 178.15 179.02 2jww h GLY 16 N -0.96 0.05 -0.97 5.37 0.00 -1.16 -3.37 103.07 102.03 2jww h GLY 16 Ca -0.04 -0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.35 2jww h GLY 16 CO 0.07 0.10 -0.30 0.00 0.00 0.00 0.00 176.54 176.42 2jww h ALA 17 N -0.04 0.47 -3.43 3.60 0.00 0.15 -3.34 119.26 116.67 2jww h ALA 17 Ca -0.06 0.34 -0.56 0.00 0.00 0.00 0.00 54.91 54.64 2jww h ALA 17 Cb 1.12 0.84 -0.39 0.00 0.00 0.00 0.00 17.79 19.36 2jww h ALA 17 CO -0.00 -0.47 -0.78 -0.59 0.00 0.00 0.00 179.25 177.41 2jww s PHE 18 N -6.15 1.68 -0.18 0.00 -0.12 -1.25 -4.99 117.98 106.97 2jww s PHE 18 Ca -0.15 -1.25 -0.15 0.00 -0.05 0.00 0.00 56.93 55.34 2jww s PHE 18 Cb 0.24 -1.29 -0.21 0.00 -0.63 0.00 0.00 43.02 41.13 2jww s PHE 18 CO 0.75 -0.67 0.22 -2.37 -0.05 0.00 0.00 175.22 173.10 2jww n THR 19 N 4.87 1.62 -0.21 -4.49 5.66 -1.26 -4.34 114.28 116.14 2jww n THR 19 Ca -0.11 -0.29 -0.02 0.00 -3.05 0.00 0.00 64.05 60.59 2jww n THR 19 Cb 0.46 -1.91 0.05 0.00 -1.55 0.00 0.00 70.33 67.38 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jww h ALA 20 N -0.31 0.28 -0.24 1.79 0.00 -1.94 1.30 119.26 120.15 2jww h ALA 20 Ca -0.40 0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2jww h ALA 20 Cb 1.60 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 2jww h ALA 20 CO -0.11 -0.50 -0.26 0.00 0.00 0.00 0.00 179.25 178.38 2jww h ALA 21 N 1.44 -0.46 -0.16 0.00 0.00 -1.90 0.20 119.26 118.38 2jww h ALA 21 Ca 0.29 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 2jww h ALA 21 Cb 0.50 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2jww h ALA 21 CO -0.67 -0.60 -0.45 0.38 0.00 0.00 0.00 179.25 177.92 2jww h ASP 22 N -0.14 0.42 -0.98 0.00 2.03 -1.52 0.18 116.42 116.41 2jww h ASP 22 Ca 0.04 -0.20 0.17 0.00 -0.73 0.00 0.00 57.03 56.32 2jww h ASP 22 Cb 0.25 -0.12 -0.10 0.00 -0.83 0.00 0.00 39.33 38.53 2jww h ASP 22 CO -0.30 0.82 0.59 -1.28 -1.03 0.00 0.00 179.24 178.03 2jww h SER 23 N 0.32 0.76 0.34 4.15 0.87 0.28 -1.18 113.55 119.10 2jww h SER 23 Ca 0.02 0.09 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2jww h SER 23 Cb 0.92 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 2jww h SER 23 CO 0.08 0.30 -1.81 2.22 -0.53 0.00 0.00 176.83 177.09 2jww n PHE 24 N -4.76 0.45 -3.13 2.24 -1.74 0.62 -4.66 117.46 106.47 2jww n PHE 24 Ca 0.22 0.15 0.04 0.00 -0.56 0.00 0.00 57.45 57.30 2jww n PHE 24 Cb 0.52 -0.89 -0.00 0.00 1.52 0.00 0.00 39.48 40.63 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2jww s ASP 25 N -5.32 -1.07 0.44 5.98 2.15 0.63 -4.75 116.67 114.74 2jww s ASP 25 Ca -0.06 0.05 0.30 0.00 0.43 0.00 0.00 52.55 53.27 2jww s ASP 25 Cb 0.10 1.63 1.29 0.00 -0.30 0.00 0.00 42.92 45.64 2jww s ASP 25 CO 0.84 -0.19 1.90 -0.74 -0.17 0.00 0.00 175.17 176.81 2jww h HIS 26 N 7.49 0.00 -0.61 -5.34 -0.00 -1.51 -3.14 115.15 112.04 2jww h HIS 26 Ca -0.04 0.00 0.12 0.00 -0.00 0.00 0.00 60.37 60.45 2jww h HIS 26 Cb 1.19 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 28.48 2jww h HIS 26 CO 0.07 0.00 -0.16 0.87 -0.00 0.00 0.00 177.93 178.71 2jww h LYS 27 N 0.00 -0.01 -0.47 5.26 1.79 -1.90 1.53 116.57 122.77 2jww h LYS 27 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jww h LYS 27 Cb 0.40 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 2jww h LYS 27 CO 0.00 -0.01 0.29 0.87 -1.08 0.00 0.00 179.45 179.52 2jww h LYS 28 N -0.01 0.63 -0.75 3.15 1.79 -1.89 -1.04 116.57 118.44 2jww h LYS 28 Ca 0.29 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.79 2jww h LYS 28 Cb 0.45 -0.14 -0.05 0.00 -1.58 0.00 0.00 32.23 30.92 2jww h LYS 28 CO -0.63 0.44 0.49 0.35 -1.08 0.00 0.00 179.45 179.02 2jww h PHE 29 N 0.63 0.78 -0.72 -1.35 3.57 -0.32 1.00 116.94 120.51 2jww h PHE 29 Ca 0.17 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.89 2jww h PHE 29 Cb -0.03 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 2jww h PHE 29 CO -0.03 0.39 0.51 0.35 -2.23 0.00 0.00 178.31 177.30 2jww h PHE 30 N 0.75 0.09 0.17 0.41 3.04 0.33 1.17 116.94 122.90 2jww h PHE 30 Ca 0.33 0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.98 2jww h PHE 30 Cb 0.32 -0.03 0.01 0.00 2.56 0.00 0.00 35.95 38.81 2jww h PHE 30 CO -0.00 0.03 -1.51 1.96 -2.02 0.00 0.00 178.31 176.77 2jww h GLN 31 N 0.07 0.36 -0.16 1.11 4.20 -0.72 -2.85 115.11 117.12 2jww h GLN 31 Ca 0.35 -0.61 -0.17 0.00 0.06 0.00 0.00 58.65 58.27 2jww h GLN 31 Cb 1.28 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 29.29 2jww h GLN 31 CO -0.03 1.29 -0.62 0.52 -0.67 0.00 0.00 178.83 179.32 2jww h MET 32 N -0.07 0.55 0.00 1.46 2.86 -0.46 -3.01 114.93 116.25 2jww h MET 32 Ca -0.30 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 56.94 2jww h MET 32 Cb 1.95 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 33.67 2jww h MET 32 CO 0.15 1.00 -0.06 -0.24 1.06 0.00 0.00 176.91 178.82 2jww h VAL 33 N 0.41 0.34 0.00 -2.22 3.04 0.12 -3.42 116.25 114.52 2jww h VAL 33 Ca -0.01 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 2jww h VAL 33 Cb 1.19 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2jww h VAL 33 CO 0.12 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 177.34 2jww n GLY 34 N -0.75 0.79 0.10 3.17 0.00 -1.14 -3.44 105.19 103.93 2jww n GLY 34 Ca -0.02 -0.66 -0.04 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 0.01 0.00 0.99 4.07 -1.75 -3.00 115.31 115.62 2jww h LEU 35 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2jww h LEU 35 Cb 0.65 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 2jww h LEU 35 CO 0.00 0.81 -0.18 0.11 -1.08 0.00 0.00 178.44 178.10 2jww h LYS 36 N 0.00 0.00 -1.65 1.13 1.57 -1.88 -3.33 116.57 112.41 2jww h LYS 36 Ca -0.01 0.00 0.48 0.00 -1.87 0.00 0.00 60.65 59.25 2jww h LYS 36 Cb 1.43 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.67 2jww h LYS 36 CO 0.11 0.00 1.26 -0.22 -0.57 0.00 0.00 179.45 180.03 2jww h LYS 37 N 0.00 0.00 0.00 3.15 3.64 -1.87 -3.41 116.57 118.08 2jww h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2jww h LYS 37 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2jww h LYS 37 CO 0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 2jww n LYS 38 N -3.88 0.83 -1.76 1.90 5.02 -1.25 -5.16 118.16 113.85 2jww n LYS 38 Ca 0.37 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.36 2jww n LYS 38 Cb 1.77 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 36.86 2jww n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jww s SER 39 N -0.78 4.55 0.65 4.39 0.15 -1.26 -4.90 113.70 116.50 2jww s SER 39 Ca 0.00 1.00 0.37 0.00 0.70 0.00 0.00 55.95 58.02 2jww s SER 39 Cb 0.00 -1.63 2.04 0.00 -1.71 0.00 0.00 66.02 64.71 2jww s SER 39 CO 0.00 -1.90 2.19 0.00 1.20 0.00 0.00 173.24 174.73 2jww h ALA 40 N -1.05 1.27 -0.13 5.45 0.00 -1.90 -0.14 119.26 122.76 2jww h ALA 40 Ca -0.47 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2jww h ALA 40 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2jww h ALA 40 CO 0.63 -0.15 -0.37 -0.44 0.00 0.00 0.00 179.25 178.93 2jww h ASP 41 N 0.00 0.29 0.08 0.00 3.32 -1.95 -2.20 116.42 115.96 2jww h ASP 41 Ca 0.02 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 2jww h ASP 41 Cb 0.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2jww h ASP 41 CO -0.00 0.64 -0.04 0.44 -1.72 0.00 0.00 179.24 178.56 2jww h ASP 42 N 0.24 -0.09 -0.89 6.45 5.19 -1.37 -3.19 116.42 122.76 2jww h ASP 42 Ca 0.03 -0.50 0.18 0.00 -0.62 0.00 0.00 57.03 56.11 2jww h ASP 42 Cb 0.76 0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.23 2jww h ASP 42 CO 0.06 0.51 0.58 -0.37 -3.12 0.00 0.00 179.24 176.90 2jww h VAL 43 N -0.76 0.73 -0.73 -1.35 -1.51 -1.54 0.13 116.25 111.22 2jww h VAL 43 Ca -0.01 -0.17 0.21 0.00 -1.23 0.00 0.00 66.70 65.50 2jww h VAL 43 Cb 0.59 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 2jww h VAL 43 CO 0.02 0.09 0.66 0.11 -1.23 0.00 0.00 177.57 177.22 2jww h LYS 44 N 0.51 0.00 -0.29 5.19 1.57 -1.38 -1.11 116.57 121.05 2jww h LYS 44 Ca 0.46 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.28 2jww h LYS 44 Cb 1.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 2jww h LYS 44 CO -0.19 0.00 0.07 0.87 -0.57 0.00 0.00 179.45 179.62 2jww h LYS 45 N 0.00 0.17 -0.06 3.15 6.56 -0.85 0.47 116.57 126.02 2jww h LYS 45 Ca 0.35 -0.01 0.02 0.00 -1.06 0.00 0.00 60.65 59.94 2jww h LYS 45 Cb 1.66 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 33.28 2jww h LYS 45 CO -0.00 0.12 0.06 -0.24 -2.06 0.00 0.00 179.45 177.32 2jww h VAL 46 N 0.18 0.67 -0.89 0.50 3.04 -1.38 -1.79 116.25 116.58 2jww h VAL 46 Ca 0.14 0.00 0.23 0.00 -1.01 0.00 0.00 66.70 66.06 2jww h VAL 46 Cb 0.14 0.96 -0.13 0.00 -2.01 0.00 0.00 31.29 30.24 2jww h VAL 46 CO -0.17 0.00 0.35 0.15 -1.01 0.00 0.00 177.57 176.89 2jww h PHE 47 N 0.00 0.56 -0.02 3.17 3.57 -0.96 0.76 116.94 124.03 2jww h PHE 47 Ca 0.03 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.35 2jww h PHE 47 Cb 0.15 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.78 2jww h PHE 47 CO 0.00 -0.11 -0.91 0.45 -2.23 0.00 0.00 178.31 175.51 2jww h HIS 48 N 0.33 0.63 -0.01 0.41 3.86 -1.39 1.41 115.15 120.37 2jww h HIS 48 Ca 0.57 -0.33 0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2jww h HIS 48 Cb 1.11 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.50 2jww h HIS 48 CO -0.17 1.14 -0.03 0.82 0.86 0.00 0.00 177.93 180.54 2jww h ILE 49 N 0.25 0.91 0.22 2.45 1.08 0.09 -2.93 117.51 119.57 2jww h ILE 49 Ca -0.07 0.00 -0.29 0.00 -0.39 0.00 0.00 64.86 64.11 2jww h ILE 49 Cb 1.53 0.91 0.03 0.00 -3.07 0.00 0.00 36.82 36.22 2jww h ILE 49 CO 0.16 0.00 -1.30 0.17 -0.69 0.00 0.00 178.15 176.49 2jww h LEU 50 N -0.05 0.72 -7.73 1.44 8.10 0.20 -3.42 115.31 114.56 2jww h LEU 50 Ca 0.02 -0.93 -0.69 0.00 0.11 0.00 0.00 57.88 56.39 2jww h LEU 50 Cb 0.08 -0.23 -0.36 0.00 -0.44 0.00 0.00 40.66 39.71 2jww h LEU 50 CO -0.05 1.62 -0.53 -1.81 -4.11 0.00 0.00 178.44 173.56 2jww s ASP 51 N -7.38 5.15 0.00 0.17 1.01 0.48 -4.85 116.67 111.25 2jww s ASP 51 Ca -0.11 -2.27 -0.24 0.00 0.71 0.00 0.00 52.55 50.64 2jww s ASP 51 Cb 0.03 -1.80 -0.18 0.00 1.01 0.00 0.00 42.92 41.98 2jww s ASP 51 CO 0.90 -0.47 1.31 0.07 0.21 0.00 0.00 175.17 177.19 2jww h LYS 52 N 7.71 0.12 0.00 8.23 2.10 -1.72 -2.60 116.57 130.42 2jww h LYS 52 Ca -0.09 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2jww h LYS 52 Cb 1.02 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.35 2jww h LYS 52 CO 0.68 0.56 -0.02 -0.44 -2.00 0.00 0.00 179.45 178.22 2jww h ASP 53 N -0.31 0.00 0.00 7.07 5.19 -1.92 -3.46 116.42 122.99 2jww h ASP 53 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2jww h ASP 53 Cb 0.53 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2jww h ASP 53 CO 0.01 0.02 0.00 1.17 -3.12 0.00 0.00 179.24 177.32 2jww n LYS 54 N -3.15 0.00 0.00 3.56 4.81 -0.98 -4.75 118.16 117.66 2jww n LYS 54 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jww n LYS 54 Cb 0.26 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.31 2jww n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2jww n SER 55 N 1.47 0.00 0.00 3.14 2.88 -1.26 -4.19 113.62 115.66 2jww n SER 55 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jww n SER 55 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 2.06 3.60 0.46 0.00 -1.26 -4.99 105.19 105.05 2jww n GLY 56 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.50 -0.83 -0.06 1.61 0.08 -1.26 -4.37 117.98 110.65 2jww s PHE 57 Ca 0.00 1.56 -0.03 0.00 0.12 0.00 0.00 56.93 58.59 2jww s PHE 57 Cb 0.00 0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 42.91 2jww s PHE 57 CO 0.00 -0.41 0.08 0.42 -0.10 0.00 0.00 175.22 175.21 2jww s ILE 58 N 1.85 4.84 -0.31 0.64 1.01 -0.98 -4.95 121.20 123.30 2jww s ILE 58 Ca -0.08 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2jww s ILE 58 Cb -0.06 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2jww s ILE 58 CO -0.17 0.51 0.19 -1.61 0.00 0.00 0.00 174.94 173.86 2jww s GLU 59 N -1.26 3.55 0.50 2.79 2.02 -1.26 -1.91 118.70 123.12 2jww s GLU 59 Ca 0.18 -0.59 0.42 0.00 0.02 0.00 0.00 54.97 55.00 2jww s GLU 59 Cb -0.12 -3.66 1.59 0.00 0.10 0.00 0.00 34.13 32.04 2jww s GLU 59 CO 0.07 -0.36 1.51 -0.85 0.02 0.00 0.00 175.26 175.66 2jww n GLU 60 N 5.04 -0.01 0.07 1.61 -0.00 -1.22 0.19 120.64 126.31 2jww n GLU 60 Ca -0.14 1.12 -0.13 0.00 -0.00 0.00 0.00 57.16 58.01 2jww n GLU 60 Cb 0.50 -2.42 -0.09 0.00 -0.00 0.00 0.00 31.44 29.44 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 -0.16 1.13 -1.84 3.32 -1.92 -3.22 116.42 113.72 2jww h ASP 61 Ca 0.89 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 57.64 2jww h ASP 61 Cb 3.31 0.04 0.00 0.00 0.22 0.00 0.00 39.33 42.90 2jww h ASP 61 CO -0.19 0.24 -0.54 -0.33 -1.72 0.00 0.00 179.24 176.70 2jww h GLU 62 N -0.59 0.00 -0.90 3.56 5.08 -0.74 -3.33 114.58 117.66 2jww h GLU 62 Ca -0.02 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.47 2jww h GLU 62 Cb 0.45 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 2jww h GLU 62 CO 0.03 0.00 0.58 1.25 -1.00 0.00 0.00 179.01 179.87 2jww h LEU 63 N 0.00 0.71 -2.55 1.33 5.85 0.21 0.39 115.31 121.25 2jww h LEU 63 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jww h LEU 63 Cb 0.83 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.76 2jww h LEU 63 CO 0.00 0.38 -0.02 1.23 -0.34 0.00 0.00 178.44 179.69 2jww h GLY 64 N 0.76 0.00 0.00 3.75 0.00 -1.66 1.27 103.07 107.19 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 -0.20 0.00 -0.05 1.76 0.00 0.00 0.00 176.54 178.05 2jww h SER 65 N 0.00 0.00 0.28 0.19 0.02 -0.48 -3.33 113.55 110.24 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 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2jww h SER 65 CO 0.00 0.40 0.00 -0.29 -1.14 0.00 0.00 176.83 175.80 2jww h ILE 66 N -0.75 0.00 -1.20 3.27 6.09 -1.25 -2.67 117.51 121.00 2jww h ILE 66 Ca 0.00 -0.13 0.35 0.00 -1.37 0.00 0.00 64.86 63.70 2jww h ILE 66 Cb 0.05 1.07 -0.09 0.00 0.47 0.00 0.00 36.82 38.31 2jww h ILE 66 CO 0.00 0.00 0.80 0.25 -3.07 0.00 0.00 178.15 176.13 2jww h LEU 67 N 0.00 0.27 -1.63 2.19 7.12 0.15 0.20 115.31 123.62 2jww h LEU 67 Ca 0.00 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.18 2jww h LEU 67 Cb 0.14 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.30 2jww h LEU 67 CO 0.00 -0.02 0.58 0.11 -0.13 0.00 0.00 178.44 178.98 2jww h LYS 68 N 0.20 0.00 -0.82 1.25 1.57 -1.67 -1.96 116.57 115.14 2jww h LYS 68 Ca 0.67 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.59 2jww h LYS 68 Cb 2.10 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 34.27 2jww h LYS 68 CO -0.26 0.00 -0.33 0.78 -0.57 0.00 0.00 179.45 179.07 2jww h GLY 69 N 0.00 0.14 0.06 3.86 0.00 -0.86 1.23 103.07 107.50 2jww h GLY 69 Ca 0.15 0.43 -0.41 0.00 0.00 0.00 0.00 47.33 47.50 2jww h GLY 69 CO -0.00 -0.23 -2.34 1.97 0.00 0.00 0.00 176.54 175.93 2jww n PHE 70 N -5.48 0.23 1.30 5.60 -1.74 -0.80 -4.42 117.46 112.15 2jww n PHE 70 Ca 0.09 0.07 0.09 0.00 -0.56 0.00 0.00 57.45 57.14 2jww n PHE 70 Cb 0.39 -1.03 0.56 0.00 1.52 0.00 0.00 39.48 40.93 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 -3.83 0.00 0.09 5.98 7.64 -0.84 -3.97 113.62 118.68 2jww n SER 71 Ca -0.47 -0.71 0.18 0.00 1.01 0.00 0.00 58.87 58.88 2jww n SER 71 Cb 0.92 0.00 0.54 0.00 -1.01 0.00 0.00 64.21 64.66 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 0.35 6.43 0.87 0.13 1.34 113.55 122.67 2jww h SER 72 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jww h SER 72 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jww h SER 72 CO 0.00 0.00 -0.85 0.47 -0.53 0.00 0.00 176.83 175.92 2jww n ASP 73 N -3.19 0.67 0.00 6.23 9.92 -1.25 -4.84 116.55 124.08 2jww n ASP 73 Ca 0.09 -0.41 0.00 0.00 -0.53 0.00 0.00 54.79 53.94 2jww n ASP 73 Cb 0.92 0.67 0.00 0.00 -0.64 0.00 0.00 41.12 42.07 2jww n ASP 73 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jww n ALA 74 N -1.64 0.45 -3.00 2.24 0.00 0.46 -4.28 120.51 114.72 2jww n ALA 74 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jww n ALA 74 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2jww n ALA 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2jww n ARG 75 N 0.00 0.00 -4.68 0.00 1.85 -1.06 -5.04 116.66 107.73 2jww n ARG 75 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 2jww n ARG 75 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 2jww n ARG 75 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jww s ASP 76 N 1.77 2.57 -0.26 2.89 1.11 -1.26 -4.61 116.67 118.87 2jww s ASP 76 Ca 0.00 -0.53 -0.40 0.00 0.18 0.00 0.00 52.55 51.80 2jww s ASP 76 Cb 0.00 -0.22 -0.16 0.00 1.07 0.00 0.00 42.92 43.61 2jww s ASP 76 CO 0.00 0.17 1.68 -0.11 1.18 0.00 0.00 175.17 178.09 2jww n LEU 77 N 1.85 2.16 0.00 1.23 7.94 -1.26 -4.96 117.00 123.96 2jww n LEU 77 Ca -0.17 1.09 -0.16 0.00 -1.11 0.00 0.00 56.01 55.66 2jww n LEU 77 Cb 0.53 -1.12 0.05 0.00 0.53 0.00 0.00 43.42 43.41 2jww n LEU 77 CO 0.23 -0.56 0.27 -1.20 -1.11 0.00 0.00 177.39 175.03 2jww n SER 78 N 4.89 1.80 -0.19 1.96 7.64 -1.26 -4.58 113.62 123.88 2jww n SER 78 Ca 0.26 -2.29 -0.02 0.00 1.01 0.00 0.00 58.87 57.83 2jww n SER 78 Cb 0.12 -0.31 0.04 0.00 -1.01 0.00 0.00 64.21 63.05 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 0.24 0.29 -0.24 -0.43 0.00 -1.97 0.57 119.26 117.71 2jww h ALA 79 Ca -0.23 0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jww h ALA 79 Cb 1.02 0.51 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 2jww h ALA 79 CO 0.33 -0.49 -0.16 -0.22 0.00 0.00 0.00 179.25 178.71 2jww h LYS 80 N -0.05 -0.14 0.00 0.00 3.64 -1.94 -0.24 116.57 117.83 2jww h LYS 80 Ca 0.27 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2jww h LYS 80 Cb 0.46 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2jww h LYS 80 CO -0.61 -0.10 -0.16 0.93 -2.27 0.00 0.00 179.45 177.24 2jww h GLU 81 N -0.15 0.00 0.11 1.90 5.08 -1.34 1.45 114.58 121.63 2jww h GLU 81 Ca 0.13 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2jww h GLU 81 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jww h GLU 81 CO -0.33 0.16 -0.05 1.15 -1.00 0.00 0.00 179.01 178.94 2jww h THR 82 N 0.00 0.98 0.00 1.13 2.02 0.18 1.57 112.91 118.79 2jww h THR 82 Ca -0.00 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.64 2jww h THR 82 Cb 0.43 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2jww h THR 82 CO 0.02 0.09 -0.86 0.11 0.37 0.00 0.00 175.52 175.25 2jww h LYS 83 N -0.31 0.02 0.00 6.66 1.79 -1.05 -2.28 116.57 121.40 2jww h LYS 83 Ca -0.02 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 2jww h LYS 83 Cb 0.26 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 2jww h LYS 83 CO 0.03 0.86 -0.57 1.15 -1.08 0.00 0.00 179.45 179.84 2jww h THR 84 N 0.01 0.22 0.00 -0.16 2.02 0.22 -3.36 112.91 111.86 2jww h THR 84 Ca -0.01 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 2jww h THR 84 Cb 1.51 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2jww h THR 84 CO 0.11 0.08 -0.15 0.25 0.37 0.00 0.00 175.52 176.18 2jww h LEU 85 N -1.00 0.00 0.10 2.58 7.12 0.19 -2.94 115.31 121.36 2jww h LEU 85 Ca -0.07 -0.71 -0.00 0.00 0.13 0.00 0.00 57.88 57.23 2jww h LEU 85 Cb 0.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.74 2jww h LEU 85 CO -0.04 0.94 -0.05 0.24 -0.13 0.00 0.00 178.44 179.41 2jww h MET 86 N -1.00 -0.12 -0.15 1.25 0.00 -0.69 -1.02 114.93 113.20 2jww h MET 86 Ca -0.04 0.01 0.04 0.00 0.00 0.00 0.00 59.70 59.71 2jww h MET 86 Cb 0.81 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.43 2jww h MET 86 CO -0.02 0.06 0.18 0.00 0.00 0.00 0.00 176.91 177.13 2jww h ALA 87 N 0.60 1.70 0.09 6.32 0.00 -1.55 -1.86 119.26 124.56 2jww h ALA 87 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jww h ALA 87 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jww h ALA 87 CO 0.02 -0.26 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 2jww h ALA 88 N 1.77 -0.23 -1.12 0.00 0.00 -1.08 -3.03 119.26 115.57 2jww h ALA 88 Ca 0.07 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 55.27 2jww h ALA 88 Cb 0.44 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2jww h ALA 88 CO -0.00 -0.22 0.72 0.78 0.00 0.00 0.00 179.25 180.53 2jww h GLY 89 N -0.48 1.22 -3.74 0.00 0.00 -1.08 1.14 103.07 100.13 2jww h GLY 89 Ca -0.01 -0.17 -0.51 0.00 0.00 0.00 0.00 47.33 46.64 2jww h GLY 89 CO 0.02 -0.21 0.65 2.09 0.00 0.00 0.00 176.54 179.09 2jww n ASP 90 N -4.64 6.41 -0.21 0.19 5.68 -0.71 -3.38 116.55 119.89 2jww n ASP 90 Ca 0.29 -3.44 0.18 0.00 -0.50 0.00 0.00 54.79 51.31 2jww n ASP 90 Cb 1.04 -0.96 0.31 0.00 -1.14 0.00 0.00 41.12 40.37 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 -0.49 -0.02 0.33 0.11 0.00 0.39 0.16 118.16 118.65 2jww n LYS 91 Ca 0.49 0.59 0.17 0.00 0.00 0.00 0.00 58.31 59.56 2jww n LYS 91 Cb 0.80 -1.14 0.88 0.00 0.00 0.00 0.00 35.03 35.57 2jww n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jww h ASP 92 N 0.00 0.00 -1.25 3.14 3.32 -1.84 -3.45 116.42 116.34 2jww h ASP 92 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2jww h ASP 92 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2jww h ASP 92 CO -0.24 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.89 2jww n GLY 93 N -1.21 0.47 0.08 2.75 0.00 0.43 -5.01 105.19 102.70 2jww n GLY 93 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.63 0.72 -0.92 1.61 8.00 -1.23 -4.99 116.55 119.12 2jww n ASP 94 Ca 0.00 -0.86 -0.12 0.00 0.71 0.00 0.00 54.79 54.52 2jww n ASP 94 Cb 0.31 0.82 -0.05 0.00 -0.02 0.00 0.00 41.12 42.18 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 1.30 3.18 0.44 0.00 -1.26 -4.98 105.19 104.99 2jww n GLY 95 Ca 0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.98 0.38 -0.26 1.61 -0.14 -1.26 -3.43 119.74 113.66 2jww s LYS 96 Ca 0.00 0.31 -0.00 0.00 -1.36 0.00 0.00 55.97 54.92 2jww s LYS 96 Cb 0.00 0.18 0.04 0.00 -1.68 0.00 0.00 37.83 36.37 2jww s LYS 96 CO 0.00 -0.06 -0.07 0.42 -0.76 0.00 0.00 175.35 174.88 2jww s ILE 97 N -0.06 2.64 0.02 2.17 1.01 -0.80 -4.52 121.20 121.66 2jww s ILE 97 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.38 2jww s ILE 97 Cb -0.03 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.04 2jww s ILE 97 CO 0.01 0.11 0.01 0.61 0.00 0.00 0.00 174.94 175.68 2jww n GLY 98 N 4.59 3.32 0.34 6.18 0.00 -1.26 -2.31 105.19 116.06 2jww n GLY 98 Ca -0.16 -2.19 0.17 0.00 0.00 0.00 0.00 46.02 43.85 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 0.63 0.59 0.14 1.61 3.04 -1.92 -0.67 116.25 119.67 2jww h VAL 99 Ca -0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 2jww h VAL 99 Cb 0.06 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 2jww h VAL 99 CO 0.03 0.00 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.19 2jww h GLU 100 N 0.00 -0.18 0.00 4.17 4.39 -1.94 -3.27 114.58 117.75 2jww h GLU 100 Ca 0.13 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 2jww h GLU 100 Cb 0.63 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2jww h GLU 100 CO -0.00 0.27 -0.04 0.93 -1.16 0.00 0.00 179.01 179.00 2jww h GLU 101 N -0.87 0.00 -0.40 2.33 3.07 -1.70 -2.32 114.58 114.69 2jww h GLU 101 Ca -0.02 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.96 2jww h GLU 101 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2jww h GLU 101 CO 0.03 0.04 0.50 0.74 -1.40 0.00 0.00 179.01 178.93 2jww h PHE 102 N 0.00 0.00 0.07 4.33 0.04 -1.19 0.53 116.94 120.72 2jww h PHE 102 Ca -0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 2jww h PHE 102 Cb 0.09 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.26 2jww h PHE 102 CO 0.00 0.00 -0.95 0.66 -0.60 0.00 0.00 178.31 177.42 2jww h SER 103 N 0.00 0.71 -0.59 2.17 4.64 -1.59 -3.32 113.55 115.58 2jww h SER 103 Ca 0.19 -0.81 -0.02 0.00 -0.47 0.00 0.00 61.79 60.67 2jww h SER 103 Cb 1.19 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 2jww h SER 103 CO -0.00 1.45 0.28 0.74 -0.87 0.00 0.00 176.83 178.43 2jww h THR 104 N 0.07 1.21 -0.55 2.95 2.02 -0.14 -1.97 112.91 116.51 2jww h THR 104 Ca -0.14 -0.61 0.16 0.00 0.77 0.00 0.00 66.41 66.59 2jww h THR 104 Cb 1.66 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2jww h THR 104 CO 0.18 0.25 0.51 0.17 0.37 0.00 0.00 175.52 177.00 2jww h LEU 105 N 0.81 0.00 -0.56 2.58 -0.00 -1.23 0.59 115.31 117.50 2jww h LEU 105 Ca 0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 57.93 2jww h LEU 105 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2jww h LEU 105 CO -0.02 0.00 -0.50 0.58 -0.00 0.00 0.00 178.44 178.50 2jww h VAL 106 N 0.00 1.31 0.00 0.15 2.07 -1.46 -2.71 116.25 115.61 2jww h VAL 106 Ca 0.26 -1.72 -0.13 0.00 0.82 0.00 0.00 66.70 65.93 2jww h VAL 106 Cb 1.28 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2jww h VAL 106 CO -0.00 0.54 -0.64 0.00 0.02 0.00 0.00 177.57 177.48 2jww h ALA 107 N 1.00 0.60 0.18 1.67 0.00 0.01 -3.36 119.26 119.35 2jww h ALA 107 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2jww h ALA 107 Cb 1.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jww h ALA 107 CO 0.10 0.78 -0.09 0.93 0.00 0.00 0.00 179.25 180.97 2jww h GLU 108 N 0.00 -0.23 0.00 0.00 4.39 -0.54 -3.52 114.58 114.68 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 1.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 2jww h GLU 108 CO 0.08 -0.15 0.00 -1.13 -1.16 0.00 0.00 179.01 176.65