#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 0.43 0.20 1.43 0.00 -1.26 -4.64 117.12 113.29 2jww n MET 2 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.76 2jww n MET 2 Cb 0.00 -0.96 0.44 0.00 0.00 0.00 0.00 33.22 32.70 2jww n MET 2 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 2jww h THR 3 N 0.00 0.98 0.00 1.12 1.35 -1.98 0.27 112.91 114.65 2jww h THR 3 Ca 0.00 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 2jww h THR 3 Cb 0.91 1.69 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2jww h THR 3 CO 0.00 0.31 -0.19 -0.78 -0.25 0.00 0.00 175.52 174.61 2jww h ASP 4 N 0.00 0.00 0.00 5.36 1.82 -2.00 -3.34 116.42 118.25 2jww h ASP 4 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jww h ASP 4 Cb 0.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.67 2jww h ASP 4 CO 0.04 0.19 -0.81 0.18 -1.61 0.00 0.00 179.24 177.23 2jww n LEU 5 N -3.72 1.69 -4.75 2.28 4.32 -0.89 -4.97 117.00 110.96 2jww n LEU 5 Ca -0.02 0.28 -0.41 0.00 -0.02 0.00 0.00 56.01 55.85 2jww n LEU 5 Cb 0.30 -0.67 -0.04 0.00 -1.62 0.00 0.00 43.42 41.39 2jww n LEU 5 CO 0.33 -0.34 0.80 -0.76 -1.22 0.00 0.00 177.39 176.20 2jww s LEU 6 N -7.57 4.51 -0.28 2.23 1.43 0.90 -4.92 118.68 114.99 2jww s LEU 6 Ca -0.24 2.19 -0.33 0.00 -1.03 0.00 0.00 54.13 54.73 2jww s LEU 6 Cb 0.03 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 2jww s LEU 6 CO 0.35 -0.20 2.17 -1.54 0.23 0.00 0.00 176.35 177.36 2jww n SER 7 N 1.84 2.66 -0.17 2.29 3.41 -1.26 -4.40 113.62 117.99 2jww n SER 7 Ca 0.01 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 2jww n SER 7 Cb 0.45 -1.37 0.25 0.00 -0.26 0.00 0.00 64.21 63.28 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 12.97 1.44 -0.05 7.33 0.00 -1.91 -2.27 119.26 136.77 2jww h ALA 8 Ca -0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 2jww h ALA 8 Cb 1.29 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2jww h ALA 8 CO 0.99 0.48 -0.01 1.49 0.00 0.00 0.00 179.25 182.21 2jww h GLU 9 N 0.92 0.10 0.01 0.00 4.81 -1.92 -1.94 114.58 116.55 2jww h GLU 9 Ca 0.24 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2jww h GLU 9 Cb -0.02 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2jww h GLU 9 CO -0.04 0.41 -0.24 -0.44 -0.73 0.00 0.00 179.01 177.96 2jww h ASP 10 N -0.22 -0.70 0.11 1.04 5.19 -1.70 0.14 116.42 120.28 2jww h ASP 10 Ca 0.01 0.10 0.01 0.00 -0.62 0.00 0.00 57.03 56.53 2jww h ASP 10 Cb 0.37 0.29 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 2jww h ASP 10 CO 0.00 -0.31 -0.20 0.40 -3.12 0.00 0.00 179.24 176.02 2jww h ILE 11 N -0.38 0.55 -0.82 0.35 2.04 0.09 0.98 117.51 120.32 2jww h ILE 11 Ca 0.06 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.02 2jww h ILE 11 Cb 0.46 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2jww h ILE 11 CO -0.21 0.00 0.45 0.50 0.00 0.00 0.00 178.15 178.89 2jww h LYS 12 N -0.38 0.71 0.14 2.37 1.63 -1.06 1.20 116.57 121.18 2jww h LYS 12 Ca 0.03 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2jww h LYS 12 Cb 0.40 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 2jww h LYS 12 CO -0.11 0.47 -0.06 0.87 -3.45 0.00 0.00 179.45 177.17 2jww h LYS 13 N 0.73 -0.18 -0.49 1.90 1.57 -0.09 -2.55 116.57 117.47 2jww h LYS 13 Ca 0.41 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.17 2jww h LYS 13 Cb 0.43 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2jww h LYS 13 CO -0.27 0.27 0.18 0.00 -0.57 0.00 0.00 179.45 179.06 2jww h ALA 14 N -0.04 1.40 0.43 3.86 0.00 0.13 0.70 119.26 125.74 2jww h ALA 14 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2jww h ALA 14 Cb 0.53 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2jww h ALA 14 CO 0.03 0.45 -0.21 0.82 0.00 0.00 0.00 179.25 180.35 2jww h ILE 15 N 0.71 0.55 -0.01 0.00 1.08 0.14 -3.27 117.51 116.71 2jww h ILE 15 Ca 0.17 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2jww h ILE 15 Cb 0.16 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2jww h ILE 15 CO -0.01 0.05 -0.33 0.61 -0.69 0.00 0.00 178.15 177.78 2jww n GLY 16 N -0.83 -0.17 0.13 5.37 0.00 -0.96 -4.17 105.19 104.55 2jww n GLY 16 Ca -0.11 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.19 3.54 -3.70 4.61 0.00 0.24 -4.79 120.51 120.22 2jww n ALA 17 Ca 0.11 -0.42 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 2jww n ALA 17 Cb 0.42 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 2jww n ALA 17 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2jww s PHE 18 N -2.78 3.22 -0.21 0.00 0.08 -1.23 -4.95 117.98 112.10 2jww s PHE 18 Ca 0.16 -1.86 -0.18 0.00 0.12 0.00 0.00 56.93 55.17 2jww s PHE 18 Cb 0.18 -2.08 -0.18 0.00 -0.57 0.00 0.00 43.02 40.37 2jww s PHE 18 CO 0.65 -0.80 0.12 0.25 -0.10 0.00 0.00 175.22 175.34 2jww n THR 19 N 4.61 1.56 -0.13 0.64 -2.24 -1.26 -4.59 114.28 112.86 2jww n THR 19 Ca -0.14 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.20 2jww n THR 19 Cb 0.44 -1.97 -0.09 0.00 -2.10 0.00 0.00 70.33 66.60 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jww n ALA 20 N -3.52 1.21 -0.12 6.98 0.00 -1.26 -4.05 120.51 119.74 2jww n ALA 20 Ca -0.36 -1.08 -0.03 0.00 0.00 0.00 0.00 53.44 51.97 2jww n ALA 20 Cb 0.76 0.14 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 -4.24 -0.18 0.26 0.00 0.00 -1.26 0.71 120.51 115.79 2jww n ALA 21 Ca -0.52 0.24 0.15 0.00 0.00 0.00 0.00 53.44 53.31 2jww n ALA 21 Cb 0.86 0.27 0.59 0.00 0.00 0.00 0.00 19.45 21.17 2jww n ALA 21 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2jww h ASP 22 N 0.00 0.00 -0.70 0.00 2.03 -1.81 -2.54 116.42 113.40 2jww h ASP 22 Ca 0.04 0.00 0.13 0.00 -0.73 0.00 0.00 57.03 56.47 2jww h ASP 22 Cb 0.12 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.53 2jww h ASP 22 CO -0.26 0.07 0.27 -1.28 -1.03 0.00 0.00 179.24 177.00 2jww h SER 23 N 0.00 0.24 0.11 4.15 0.87 0.14 -3.07 113.55 116.00 2jww h SER 23 Ca -0.00 0.10 -0.36 0.00 -1.23 0.00 0.00 61.79 60.30 2jww h SER 23 Cb 0.61 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.60 2jww h SER 23 CO 0.01 0.11 -2.20 2.22 -0.53 0.00 0.00 176.83 176.44 2jww n PHE 24 N -5.01 0.54 -3.44 2.24 1.16 -0.77 -4.78 117.46 107.40 2jww n PHE 24 Ca 0.12 0.14 -0.18 0.00 -1.87 0.00 0.00 57.45 55.66 2jww n PHE 24 Cb 0.37 -1.08 -0.11 0.00 -1.61 0.00 0.00 39.48 37.04 2jww n PHE 24 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2jww s ASP 25 N -6.43 1.53 0.12 5.98 -1.08 -0.96 -3.90 116.67 111.92 2jww s ASP 25 Ca -0.22 -0.47 0.20 0.00 -0.52 0.00 0.00 52.55 51.54 2jww s ASP 25 Cb 0.08 0.46 0.83 0.00 -1.46 0.00 0.00 42.92 42.83 2jww s ASP 25 CO 0.73 -0.36 1.63 1.41 0.52 0.00 0.00 175.17 179.10 2jww n HIS 26 N 5.32 0.38 -0.17 -5.34 8.25 -1.21 -3.65 115.22 118.80 2jww n HIS 26 Ca -0.04 0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.52 2jww n HIS 26 Cb 0.48 -0.73 0.02 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.14 -0.55 -0.41 1.57 -1.93 1.14 116.57 116.25 2jww h LYS 27 Ca 0.00 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2jww h LYS 27 Cb 0.36 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2jww h LYS 27 CO 0.00 -0.09 0.35 0.87 -0.57 0.00 0.00 179.45 180.01 2jww h LYS 28 N -0.14 0.68 -0.54 3.15 1.79 -1.93 0.16 116.57 119.74 2jww h LYS 28 Ca 0.23 -0.04 0.13 0.00 -2.18 0.00 0.00 60.65 58.78 2jww h LYS 28 Cb 0.51 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.98 2jww h LYS 28 CO -0.60 0.45 0.38 0.35 -1.08 0.00 0.00 179.45 178.94 2jww h PHE 29 N 0.70 0.20 0.00 -1.35 3.57 -0.62 0.39 116.94 119.83 2jww h PHE 29 Ca 0.21 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2jww h PHE 29 Cb -0.03 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2jww h PHE 29 CO -0.05 0.09 -0.02 0.35 -2.23 0.00 0.00 178.31 176.45 2jww h PHE 30 N 0.18 0.00 0.01 0.41 3.57 0.42 1.44 116.94 122.96 2jww h PHE 30 Ca 0.26 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2jww h PHE 30 Cb 0.78 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2jww h PHE 30 CO -0.00 0.02 -0.63 1.96 -2.23 0.00 0.00 178.31 177.43 2jww h GLN 31 N 0.00 0.03 0.00 1.11 4.20 -0.10 -2.69 115.11 117.66 2jww h GLN 31 Ca -0.00 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2jww h GLN 31 Cb 0.03 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2jww h GLN 31 CO 0.00 1.02 -0.48 0.52 -0.67 0.00 0.00 178.83 179.23 2jww h MET 32 N -0.92 0.00 0.00 1.46 2.86 -1.00 -2.98 114.93 114.35 2jww h MET 32 Ca -0.16 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2jww h MET 32 Cb 1.20 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 2jww h MET 32 CO -0.07 0.48 -0.19 -0.24 1.06 0.00 0.00 176.91 177.95 2jww h VAL 33 N 0.00 0.68 0.00 -2.22 3.04 0.18 -3.39 116.25 114.54 2jww h VAL 33 Ca -0.00 -0.81 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2jww h VAL 33 Cb 0.99 1.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2jww h VAL 33 CO 0.06 0.19 0.00 0.61 -1.01 0.00 0.00 177.57 177.42 2jww n GLY 34 N -0.43 0.94 0.15 3.17 0.00 -1.13 -0.09 105.19 107.81 2jww n GLY 34 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 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 0.20 -1.07 0.99 3.38 -1.71 -2.65 115.31 114.45 2jww h LEU 35 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2jww h LEU 35 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jww h LEU 35 CO 0.00 0.80 0.00 0.29 0.09 0.00 0.00 178.44 179.62 2jww n LYS 36 N -3.82 1.69 -0.02 1.13 5.02 -1.21 -4.49 118.16 116.46 2jww n LYS 36 Ca -0.02 -0.98 -0.06 0.00 -2.02 0.00 0.00 58.31 55.22 2jww n LYS 36 Cb 0.65 -1.26 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 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 1.56 -0.21 0.00 1.97 3.64 -1.81 -3.43 116.57 118.30 2jww h LYS 37 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2jww h LYS 37 Cb 0.42 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2jww h LYS 37 CO 0.02 -0.14 0.00 1.63 -2.27 0.00 0.00 179.45 178.69 2jww n LYS 38 N -3.79 0.00 -3.94 1.90 5.02 -1.26 -5.15 118.16 110.94 2jww n LYS 38 Ca -0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.11 2jww n LYS 38 Cb 0.15 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.11 2jww n LYS 38 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2jww n SER 39 N 0.00 -0.88 0.30 4.39 7.64 -1.26 -5.03 113.62 118.78 2jww n SER 39 Ca 0.00 -2.90 0.20 0.00 1.01 0.00 0.00 58.87 57.17 2jww n SER 39 Cb 0.00 1.84 0.92 0.00 -1.01 0.00 0.00 64.21 65.96 2jww n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jww h ALA 40 N 1.98 1.01 -0.42 -0.43 0.00 -1.91 -2.86 119.26 116.63 2jww h ALA 40 Ca -0.23 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2jww h ALA 40 Cb 1.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2jww h ALA 40 CO 0.32 0.00 0.12 -0.44 0.00 0.00 0.00 179.25 179.26 2jww h ASP 41 N 0.00 0.62 0.15 0.00 3.32 -1.97 -1.07 116.42 117.46 2jww h ASP 41 Ca -0.00 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2jww h ASP 41 Cb 0.29 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2jww h ASP 41 CO 0.00 0.67 -0.07 0.44 -1.72 0.00 0.00 179.24 178.56 2jww h ASP 42 N 0.53 -0.17 -0.72 6.45 3.32 -1.90 -3.09 116.42 120.84 2jww h ASP 42 Ca 0.13 -0.28 0.10 0.00 0.02 0.00 0.00 57.03 57.00 2jww h ASP 42 Cb 0.28 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2jww h ASP 42 CO -0.00 0.20 0.48 -0.37 -1.72 0.00 0.00 179.24 177.83 2jww h VAL 43 N -0.57 0.93 -1.04 -1.35 -1.51 -1.56 -0.95 116.25 110.19 2jww h VAL 43 Ca -0.02 -0.21 0.30 0.00 -1.23 0.00 0.00 66.70 65.54 2jww h VAL 43 Cb 0.44 0.26 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 2jww h VAL 43 CO 0.03 0.11 0.74 0.11 -1.23 0.00 0.00 177.57 177.34 2jww h LYS 44 N 0.62 0.04 0.22 5.19 1.57 -1.10 0.72 116.57 123.83 2jww h LYS 44 Ca 0.33 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2jww h LYS 44 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2jww h LYS 44 CO -0.12 0.03 -0.12 0.87 -0.57 0.00 0.00 179.45 179.54 2jww h LYS 45 N 0.04 -0.30 -0.33 3.15 6.56 -1.27 -0.38 116.57 124.04 2jww h LYS 45 Ca 0.50 0.02 0.10 0.00 -1.06 0.00 0.00 60.65 60.21 2jww h LYS 45 Cb 1.94 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 33.66 2jww h LYS 45 CO -0.03 -0.20 0.32 -0.24 -2.06 0.00 0.00 179.45 177.24 2jww h VAL 46 N -0.31 0.50 -0.38 0.50 3.04 -1.01 0.36 116.25 118.95 2jww h VAL 46 Ca -0.03 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2jww h VAL 46 Cb 0.25 0.75 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 2jww h VAL 46 CO 0.04 0.00 0.23 0.15 -1.01 0.00 0.00 177.57 176.98 2jww h PHE 47 N 0.00 0.49 -0.33 3.17 3.04 -0.85 -1.42 116.94 121.04 2jww h PHE 47 Ca 0.16 0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.97 2jww h PHE 47 Cb 0.80 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 2jww h PHE 47 CO 0.00 0.34 -0.33 0.45 -2.02 0.00 0.00 178.31 176.75 2jww h HIS 48 N 0.50 0.96 -0.35 0.41 3.86 -0.72 1.51 115.15 121.31 2jww h HIS 48 Ca 0.14 -0.29 0.07 0.00 -1.16 0.00 0.00 60.37 59.13 2jww h HIS 48 Cb -0.01 -0.20 -0.07 0.00 1.06 0.00 0.00 27.41 28.19 2jww h HIS 48 CO -0.04 1.07 -0.11 0.82 0.86 0.00 0.00 177.93 180.54 2jww h ILE 49 N 0.58 0.61 0.20 2.45 1.08 -1.17 1.27 117.51 122.53 2jww h ILE 49 Ca 0.05 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.21 2jww h ILE 49 Cb 0.91 0.61 0.02 0.00 -3.07 0.00 0.00 36.82 35.29 2jww h ILE 49 CO 0.08 0.00 -1.41 0.17 -0.69 0.00 0.00 178.15 176.30 2jww h LEU 50 N -0.03 0.65 -5.45 1.44 8.10 -1.20 -3.37 115.31 115.45 2jww h LEU 50 Ca 0.17 -0.72 -0.59 0.00 0.11 0.00 0.00 57.88 56.85 2jww h LEU 50 Cb 0.29 -0.21 -0.42 0.00 -0.44 0.00 0.00 40.66 39.88 2jww h LEU 50 CO -0.38 1.57 -0.63 0.47 -4.11 0.00 0.00 178.44 175.36 2jww n ASP 51 N -3.62 4.36 0.04 0.17 9.92 0.51 -4.89 116.55 123.05 2jww n ASP 51 Ca -0.14 -3.65 -0.12 0.00 -0.53 0.00 0.00 54.79 50.36 2jww n ASP 51 Cb 1.07 -0.58 -0.09 0.00 -0.64 0.00 0.00 41.12 40.89 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 3.19 -0.17 -0.16 -1.24 -0.00 0.15 -3.37 116.57 114.96 2jww h LYS 52 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.80 2jww h LYS 52 Cb 0.53 0.04 0.00 0.00 -0.00 0.00 0.00 32.23 32.80 2jww h LYS 52 CO 0.82 0.29 0.00 -3.47 -0.00 0.00 0.00 179.45 177.10 2jww n ASP 53 N -4.92 2.51 0.00 7.07 2.03 -1.26 -4.82 116.55 117.16 2jww n ASP 53 Ca -0.08 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.12 2jww n ASP 53 Cb 0.27 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2jww n ASP 53 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2jww n LYS 54 N -0.11 0.00 0.00 -0.67 3.00 -1.26 -4.87 118.16 114.24 2jww n LYS 54 Ca 0.07 0.43 0.00 0.00 -0.00 0.00 0.00 58.31 58.81 2jww n LYS 54 Cb 0.38 -1.23 0.00 0.00 0.00 0.00 0.00 35.03 34.17 2jww n LYS 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2jww n SER 55 N -1.48 0.00 -0.02 3.14 7.64 -1.26 -4.94 113.62 116.70 2jww n SER 55 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jww n SER 55 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.13 3.60 0.23 0.00 -1.26 -4.91 105.19 102.98 2jww n GLY 56 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2jww n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2jww s PHE 57 N -1.23 -0.57 -0.04 1.61 -0.12 -1.26 -3.67 117.98 112.70 2jww s PHE 57 Ca 0.00 1.22 -0.02 0.00 -0.05 0.00 0.00 56.93 58.08 2jww s PHE 57 Cb 0.00 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 2jww s PHE 57 CO 0.00 -0.37 0.08 0.42 -0.05 0.00 0.00 175.22 175.31 2jww s ILE 58 N -0.32 4.84 -0.26 -4.49 1.01 -0.54 -4.94 121.20 116.50 2jww s ILE 58 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 2jww s ILE 58 Cb -0.03 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 2jww s ILE 58 CO 0.01 0.44 0.16 -1.61 0.00 0.00 0.00 174.94 173.94 2jww s GLU 59 N -1.48 3.98 0.51 2.79 2.02 -1.26 -0.89 118.70 124.37 2jww s GLU 59 Ca 0.20 -0.31 0.39 0.00 0.02 0.00 0.00 54.97 55.27 2jww s GLU 59 Cb -0.12 -3.57 1.56 0.00 0.10 0.00 0.00 34.13 32.10 2jww s GLU 59 CO 0.11 -0.06 1.65 1.05 0.02 0.00 0.00 175.26 178.02 2jww h GLU 60 N 7.94 0.05 0.14 1.61 4.11 -1.89 1.49 114.58 128.03 2jww h GLU 60 Ca -0.37 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.05 2jww h GLU 60 Cb 1.18 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2jww h GLU 60 CO 0.60 0.03 -0.07 -0.44 0.07 0.00 0.00 179.01 179.21 2jww h ASP 61 N 0.05 -0.16 1.51 3.06 5.19 -1.93 -3.17 116.42 120.97 2jww h ASP 61 Ca 0.80 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 2jww h ASP 61 Cb 2.93 0.04 0.00 0.00 0.18 0.00 0.00 39.33 42.48 2jww h ASP 61 CO -0.17 0.34 0.00 -0.08 -3.12 0.00 0.00 179.24 176.21 2jww h GLU 62 N -0.71 0.00 -0.61 3.56 4.81 -1.12 -3.29 114.58 117.22 2jww h GLU 62 Ca -0.02 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.33 2jww h GLU 62 Cb 0.52 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.78 2jww h GLU 62 CO 0.03 0.00 -0.20 1.25 -0.73 0.00 0.00 179.01 179.36 2jww h LEU 63 N 0.00 -0.72 -2.03 1.64 7.12 0.20 0.54 115.31 122.06 2jww h LEU 63 Ca 0.00 0.20 0.13 0.00 0.13 0.00 0.00 57.88 58.34 2jww h LEU 63 Cb 0.75 0.43 -0.02 0.00 -0.53 0.00 0.00 40.66 41.30 2jww h LEU 63 CO 0.00 -0.24 0.38 1.23 -0.13 0.00 0.00 178.44 179.69 2jww h GLY 64 N -0.05 0.00 0.00 3.75 0.00 -1.66 0.58 103.07 105.69 2jww h GLY 64 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2jww h GLY 64 CO -0.65 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 177.61 2jww h SER 65 N 0.00 0.00 0.00 0.19 0.02 -0.24 -3.32 113.55 110.19 2jww h SER 65 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2jww h SER 65 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2jww h SER 65 CO -0.00 0.39 0.16 -0.29 -1.14 0.00 0.00 176.83 175.95 2jww h ILE 66 N -0.74 0.00 -0.80 3.27 6.09 -0.53 -2.66 117.51 122.14 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 0.04 0.58 -0.14 0.00 0.47 0.00 0.00 36.82 37.77 2jww h ILE 66 CO 0.00 0.00 -0.01 -0.07 -3.07 0.00 0.00 178.15 175.00 2jww h LEU 67 N 0.00 -0.40 -0.46 2.19 -0.00 0.05 0.88 115.31 117.57 2jww h LEU 67 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2jww h LEU 67 Cb 0.32 0.38 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2jww h LEU 67 CO 0.00 -0.21 0.33 2.29 -0.00 0.00 0.00 178.44 180.85 2jww n LYS 68 N -5.38 0.05 -0.11 1.13 -0.00 -1.00 -1.20 118.16 111.64 2jww n LYS 68 Ca 0.15 0.44 -0.08 0.00 -0.00 0.00 0.00 58.31 58.82 2jww n LYS 68 Cb 0.51 -1.99 -0.02 0.00 -0.00 0.00 0.00 35.03 33.53 2jww n LYS 68 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2jww h GLY 69 N 0.00 -0.33 0.09 2.58 0.00 -1.08 1.42 103.07 105.76 2jww h GLY 69 Ca 0.00 0.44 -0.38 0.00 0.00 0.00 0.00 47.33 47.39 2jww h GLY 69 CO 0.00 -0.20 -2.40 1.97 0.00 0.00 0.00 176.54 175.90 2jww n PHE 70 N -5.42 0.18 1.38 5.60 -1.74 -0.82 -4.33 117.46 112.32 2jww n PHE 70 Ca 0.00 0.04 0.08 0.00 -0.56 0.00 0.00 57.45 57.02 2jww n PHE 70 Cb 0.34 -1.02 0.50 0.00 1.52 0.00 0.00 39.48 40.82 2jww n PHE 70 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2jww n SER 71 N -3.26 0.00 -0.11 5.98 2.88 -0.34 -4.09 113.62 114.67 2jww n SER 71 Ca -0.43 -0.85 0.26 0.00 -1.33 0.00 0.00 58.87 56.52 2jww n SER 71 Cb 1.01 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 65.07 2jww n SER 71 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2jww h SER 72 N 0.00 0.00 0.00 -3.46 0.02 0.18 1.36 113.55 111.65 2jww h SER 72 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jww h SER 72 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jww h SER 72 CO 0.00 0.00 -0.26 0.47 -1.14 0.00 0.00 176.83 175.90 2jww n ASP 73 N -3.50 2.01 0.00 3.07 9.92 -1.26 -5.03 116.55 121.76 2jww n ASP 73 Ca 0.18 -3.50 0.00 0.00 -0.53 0.00 0.00 54.79 50.94 2jww n ASP 73 Cb 1.16 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 41.16 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 -1.26 0.00 -2.33 2.24 0.00 0.47 -3.78 120.51 115.84 2jww n ALA 74 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.43 2jww n ALA 74 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 2jww n ALA 74 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jww s ARG 75 N 1.45 2.95 0.32 0.00 0.52 -1.26 -4.98 118.95 117.95 2jww s ARG 75 Ca 0.00 -1.15 0.03 0.00 -0.52 0.00 0.00 55.73 54.09 2jww s ARG 75 Cb 0.00 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 2jww s ARG 75 CO 0.00 -0.04 0.48 -0.51 0.02 0.00 0.00 175.30 175.25 2jww s ASP 76 N -4.19 6.18 -0.09 0.23 1.01 -1.26 -4.86 116.67 113.69 2jww s ASP 76 Ca 0.47 0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.61 2jww s ASP 76 Cb -0.09 -1.76 -0.02 0.00 1.01 0.00 0.00 42.92 42.06 2jww s ASP 76 CO 0.31 -0.29 1.14 -0.22 0.21 0.00 0.00 175.17 176.32 2jww s LEU 77 N -4.20 4.25 0.00 1.23 2.96 -1.26 -4.98 118.68 116.67 2jww s LEU 77 Ca 0.40 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 56.00 2jww s LEU 77 Cb -0.09 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2jww s LEU 77 CO 0.33 -0.57 0.00 -0.24 -1.32 0.00 0.00 176.35 174.55 2jww n SER 78 N 5.34 0.31 -0.12 3.68 2.88 -1.26 -4.56 113.62 119.89 2jww n SER 78 Ca 0.11 -0.75 -0.05 0.00 -1.33 0.00 0.00 58.87 56.85 2jww n SER 78 Cb 0.47 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.94 2jww n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jww h ALA 79 N 0.26 0.23 0.49 -1.46 0.00 -1.98 1.23 119.26 118.03 2jww h ALA 79 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2jww h ALA 79 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jww h ALA 79 CO 0.00 -0.48 -0.23 0.87 0.00 0.00 0.00 179.25 179.41 2jww h LYS 80 N -0.04 -0.63 -0.30 0.00 1.57 -1.95 -1.55 116.57 113.68 2jww h LYS 80 Ca 0.20 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2jww h LYS 80 Cb 0.34 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 2jww h LYS 80 CO -0.44 -0.41 -0.19 0.93 -0.57 0.00 0.00 179.45 178.77 2jww h GLU 81 N -0.69 0.55 -0.06 3.15 5.08 -1.59 1.33 114.58 122.35 2jww h GLU 81 Ca -0.07 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2jww h GLU 81 Cb 0.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2jww h GLU 81 CO 0.11 0.72 0.04 1.15 -1.00 0.00 0.00 179.01 180.02 2jww h THR 82 N 0.49 1.04 0.00 1.13 2.02 0.16 1.56 112.91 119.31 2jww h THR 82 Ca 0.08 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 2jww h THR 82 Cb 0.62 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 2jww h THR 82 CO 0.04 0.04 -0.36 0.11 0.37 0.00 0.00 175.52 175.72 2jww h LYS 83 N 0.05 0.00 0.00 6.66 1.79 -0.97 -2.01 116.57 122.09 2jww h LYS 83 Ca 0.02 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 2jww h LYS 83 Cb 0.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2jww h LYS 83 CO -0.00 0.36 -0.48 1.15 -1.08 0.00 0.00 179.45 179.40 2jww h THR 84 N 0.00 0.48 -0.04 -0.16 2.02 0.23 -3.22 112.91 112.22 2jww h THR 84 Ca -0.00 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 2jww h THR 84 Cb 0.96 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jww h THR 84 CO 0.05 0.16 -0.12 -0.07 0.37 0.00 0.00 175.52 175.91 2jww h LEU 85 N -1.00 0.17 0.00 2.58 -0.00 0.21 -2.25 115.31 115.02 2jww h LEU 85 Ca -0.08 -0.61 -0.04 0.00 -0.00 0.00 0.00 57.88 57.15 2jww h LEU 85 Cb 0.64 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.24 2jww h LEU 85 CO -0.05 0.75 -0.21 0.24 -0.00 0.00 0.00 178.44 179.18 2jww h MET 86 N -0.41 0.00 -0.11 1.13 0.00 -1.39 -1.70 114.93 112.46 2jww h MET 86 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 59.70 59.71 2jww h MET 86 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.33 2jww h MET 86 CO 0.03 0.93 0.08 0.00 0.00 0.00 0.00 176.91 177.94 2jww h ALA 87 N -0.15 1.97 0.00 6.32 0.00 -1.49 0.51 119.26 126.43 2jww h ALA 87 Ca -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2jww h ALA 87 Cb 0.99 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2jww h ALA 87 CO -0.03 0.02 -0.30 0.00 0.00 0.00 0.00 179.25 178.94 2jww h ALA 88 N 1.93 0.04 -0.30 0.00 0.00 -1.46 -3.29 119.26 116.18 2jww h ALA 88 Ca 0.04 -0.41 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2jww h ALA 88 Cb 0.04 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2jww h ALA 88 CO -0.01 0.22 0.25 0.78 0.00 0.00 0.00 179.25 180.49 2jww h GLY 89 N -1.00 0.00 -3.78 0.00 0.00 -1.22 0.52 103.07 97.59 2jww h GLY 89 Ca -0.05 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.75 2jww h GLY 89 CO -0.03 0.00 0.69 1.34 0.00 0.00 0.00 176.54 178.54 2jww n ASP 90 N -4.19 6.88 -0.18 0.19 2.03 0.18 -3.33 116.55 118.13 2jww n ASP 90 Ca 0.04 -3.50 0.20 0.00 0.52 0.00 0.00 54.79 52.06 2jww n ASP 90 Cb 0.41 -0.99 0.31 0.00 -0.72 0.00 0.00 41.12 40.13 2jww n ASP 90 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2jww n LYS 91 N -0.48 0.01 0.31 -0.67 -0.00 0.17 0.14 118.16 117.64 2jww n LYS 91 Ca 0.50 0.65 0.19 0.00 -0.00 0.00 0.00 58.31 59.66 2jww n LYS 91 Cb 0.71 -1.61 1.04 0.00 -0.00 0.00 0.00 35.03 35.17 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 -3.47 -5.58 1.82 -1.87 -3.46 116.42 103.86 2jww h ASP 92 Ca 0.35 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.89 2jww h ASP 92 Cb 1.94 0.00 0.06 0.00 0.68 0.00 0.00 39.33 42.02 2jww h ASP 92 CO -0.00 0.00 -0.28 0.61 -1.61 0.00 0.00 179.24 177.96 2jww n GLY 93 N -1.20 0.18 0.01 -0.78 0.00 0.38 -4.99 105.19 98.80 2jww n GLY 93 Ca -0.02 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.86 2jww n GLY 93 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jww n ASP 94 N -1.87 0.37 0.00 1.61 2.03 -1.26 -5.00 116.55 112.44 2jww n ASP 94 Ca -0.07 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.55 2jww n ASP 94 Cb 0.55 0.97 0.00 0.00 -0.72 0.00 0.00 41.12 41.93 2jww n ASP 94 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jww n GLY 95 N 1.15 2.88 3.27 0.27 0.00 -1.26 -5.02 105.19 106.48 2jww n GLY 95 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.63 1.61 -0.37 1.61 1.02 -1.26 -2.68 119.74 119.04 2jww s LYS 96 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 54.94 2jww s LYS 96 Cb 0.00 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.64 2jww s LYS 96 CO 0.00 0.44 0.23 0.42 -0.92 0.00 0.00 175.35 175.52 2jww s ILE 97 N -0.71 4.83 0.20 2.17 1.01 -0.07 -4.79 121.20 123.86 2jww s ILE 97 Ca 0.09 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.10 2jww s ILE 97 Cb -0.09 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.77 2jww s ILE 97 CO 0.01 -0.18 0.26 0.61 0.00 0.00 0.00 174.94 175.63 2jww n GLY 98 N 5.05 2.14 0.31 6.18 0.00 -1.26 -1.46 105.19 116.15 2jww n GLY 98 Ca -0.12 -2.17 0.11 0.00 0.00 0.00 0.00 46.02 43.83 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 0.14 0.95 0.17 1.61 3.04 -1.98 0.14 116.25 120.31 2jww h VAL 99 Ca -0.10 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2jww h VAL 99 Cb 0.44 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 2jww h VAL 99 CO 0.15 0.03 -0.08 -0.33 -1.01 0.00 0.00 177.57 176.33 2jww h GLU 100 N 0.18 -0.22 0.00 4.17 5.08 -1.94 -3.29 114.58 118.57 2jww h GLU 100 Ca 0.13 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2jww h GLU 100 Cb 0.30 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jww h GLU 100 CO -0.02 0.19 -0.12 0.93 -1.00 0.00 0.00 179.01 178.99 2jww h GLU 101 N -0.90 0.00 -0.41 2.33 3.07 -1.80 -3.16 114.58 113.72 2jww h GLU 101 Ca -0.02 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.92 2jww h GLU 101 Cb 0.51 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.34 2jww h GLU 101 CO 0.04 0.12 -0.13 0.35 -1.40 0.00 0.00 179.01 177.99 2jww h PHE 102 N 0.00 -0.30 -0.29 4.33 3.57 -0.78 0.70 116.94 124.17 2jww h PHE 102 Ca -0.00 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2jww h PHE 102 Cb 0.53 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2jww h PHE 102 CO 0.00 -0.21 0.21 1.03 -2.23 0.00 0.00 178.31 177.11 2jww h SER 103 N -0.04 0.00 -0.35 0.41 0.87 -1.68 0.28 113.55 113.03 2jww h SER 103 Ca 0.20 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 2jww h SER 103 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 2jww h SER 103 CO -0.45 0.00 -0.42 0.74 -0.53 0.00 0.00 176.83 176.18 2jww h THR 104 N 0.00 1.27 -0.86 2.23 2.02 0.17 -2.47 112.91 115.28 2jww h THR 104 Ca 0.14 -1.59 0.04 0.00 0.77 0.00 0.00 66.41 65.76 2jww h THR 104 Cb 0.57 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 68.39 2jww h THR 104 CO -0.00 0.53 0.56 0.25 0.37 0.00 0.00 175.52 177.23 2jww h LEU 105 N 0.71 0.91 0.13 2.58 6.46 0.12 0.57 115.31 126.80 2jww h LEU 105 Ca 0.05 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2jww h LEU 105 Cb 1.02 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.74 2jww h LEU 105 CO 0.10 0.62 -0.06 0.58 -0.62 0.00 0.00 178.44 179.05 2jww h VAL 106 N 1.05 0.90 -0.40 1.05 2.07 -1.19 -2.13 116.25 117.60 2jww h VAL 106 Ca 0.35 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2jww h VAL 106 Cb 0.06 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2jww h VAL 106 CO -0.11 0.03 0.01 0.00 0.02 0.00 0.00 177.57 177.52 2jww h ALA 107 N 0.62 1.26 0.04 1.67 0.00 -0.93 -3.22 119.26 118.71 2jww h ALA 107 Ca -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jww h ALA 107 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jww h ALA 107 CO 0.03 0.50 -0.08 0.93 0.00 0.00 0.00 179.25 180.63 2jww h GLU 108 N 0.61 -0.12 0.00 0.00 4.39 0.51 -3.51 114.58 116.45 2jww h GLU 108 Ca 0.13 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2jww h GLU 108 Cb 0.37 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2jww h GLU 108 CO 0.01 -0.08 0.00 0.45 -1.16 0.00 0.00 179.01 178.23