#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 0.00 -1.46 0.00 -1.26 -4.70 117.12 109.70 2jww n MET 2 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.68 2jww n MET 2 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 33.22 33.46 2jww n MET 2 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2jww h THR 3 N 0.00 1.24 0.00 1.12 2.02 -1.97 0.82 112.91 116.13 2jww h THR 3 Ca 0.00 -1.05 -0.16 0.00 0.77 0.00 0.00 66.41 65.97 2jww h THR 3 Cb 0.00 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2jww h THR 3 CO 0.00 0.34 -1.38 0.44 0.37 0.00 0.00 175.52 175.30 2jww h ASP 4 N 0.48 0.00 0.00 4.18 5.19 -1.99 -3.36 116.42 120.92 2jww h ASP 4 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2jww h ASP 4 Cb 0.51 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2jww h ASP 4 CO 0.03 0.57 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.54 2jww h LEU 5 N 0.00 0.00 -9.95 1.55 3.38 -1.85 -3.47 115.31 104.97 2jww h LEU 5 Ca -0.16 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.33 2jww h LEU 5 Cb 1.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.34 2jww h LEU 5 CO 0.05 0.31 0.41 -0.76 0.09 0.00 0.00 178.44 178.53 2jww s LEU 6 N -6.33 4.17 -0.35 1.67 1.43 0.28 -4.90 118.68 114.65 2jww s LEU 6 Ca -0.03 2.04 -0.36 0.00 -1.03 0.00 0.00 54.13 54.75 2jww s LEU 6 Cb 0.00 -4.15 -0.12 0.00 0.03 0.00 0.00 46.19 41.95 2jww s LEU 6 CO 0.05 -0.46 2.16 -1.54 0.23 0.00 0.00 176.35 176.79 2jww n SER 7 N 0.01 2.05 -0.14 2.29 3.41 -1.26 -4.55 113.62 115.43 2jww n SER 7 Ca 0.05 0.47 -0.10 0.00 -0.26 0.00 0.00 58.87 59.03 2jww n SER 7 Cb 0.49 -1.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.20 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 11.86 0.55 -0.22 7.33 0.00 -1.87 -1.92 119.26 134.99 2jww h ALA 8 Ca -0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2jww h ALA 8 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2jww h ALA 8 CO 1.02 0.27 0.06 1.49 0.00 0.00 0.00 179.25 182.08 2jww h GLU 9 N 0.54 0.36 0.14 0.00 4.81 -1.93 -2.33 114.58 116.16 2jww h GLU 9 Ca 0.12 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2jww h GLU 9 Cb 0.38 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2jww h GLU 9 CO 0.01 0.47 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.06 2jww h ASP 10 N 0.18 -0.74 0.16 1.04 5.19 -1.80 -1.52 116.42 118.93 2jww h ASP 10 Ca 0.07 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.57 2jww h ASP 10 Cb 0.27 0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2jww h ASP 10 CO 0.00 -0.36 -0.20 0.40 -3.12 0.00 0.00 179.24 175.96 2jww h ILE 11 N -0.48 0.55 -0.29 0.35 2.04 -1.36 0.73 117.51 119.05 2jww h ILE 11 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 2jww h ILE 11 Cb 0.50 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2jww h ILE 11 CO -0.14 0.00 -0.12 0.50 0.00 0.00 0.00 178.15 178.39 2jww h LYS 12 N -0.42 -0.07 0.13 2.37 3.11 -1.33 1.25 116.57 121.61 2jww h LYS 12 Ca 0.01 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.85 2jww h LYS 12 Cb 0.41 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2jww h LYS 12 CO -0.08 -0.05 -0.06 0.87 -2.81 0.00 0.00 179.45 177.33 2jww h LYS 13 N -0.07 -0.16 -0.65 1.90 1.57 -1.02 -2.66 116.57 115.48 2jww h LYS 13 Ca 0.15 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2jww h LYS 13 Cb 0.29 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2jww h LYS 13 CO -0.34 0.14 0.30 0.00 -0.57 0.00 0.00 179.45 178.98 2jww h ALA 14 N 0.35 0.84 -0.12 3.86 0.00 0.73 0.68 119.26 125.60 2jww h ALA 14 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2jww h ALA 14 Cb 0.38 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2jww h ALA 14 CO 0.03 0.41 -0.15 0.82 0.00 0.00 0.00 179.25 180.35 2jww h ILE 15 N 0.90 0.59 -0.02 0.00 1.08 0.16 -2.88 117.51 117.34 2jww h ILE 15 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.69 2jww h ILE 15 Cb 0.14 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 2jww h ILE 15 CO -0.03 0.00 -0.26 0.61 -0.69 0.00 0.00 178.15 177.78 2jww n GLY 16 N -1.30 -0.04 0.08 5.37 0.00 -1.01 -4.28 105.19 104.01 2jww n GLY 16 Ca -0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2jww n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jww h ALA 17 N 4.01 0.50 -3.05 4.61 0.00 0.61 -3.44 119.26 122.50 2jww h ALA 17 Ca 0.00 -0.97 -0.67 0.00 0.00 0.00 0.00 54.91 53.28 2jww h ALA 17 Cb 0.67 0.02 -0.32 0.00 0.00 0.00 0.00 17.79 18.16 2jww h ALA 17 CO 0.00 1.22 -0.81 -0.06 0.00 0.00 0.00 179.25 179.60 2jww s PHE 18 N -2.73 2.84 -0.10 0.00 0.08 -1.17 -4.97 117.98 111.93 2jww s PHE 18 Ca -0.00 -1.37 0.06 0.00 0.12 0.00 0.00 56.93 55.74 2jww s PHE 18 Cb 0.09 -1.98 -0.24 0.00 -0.57 0.00 0.00 43.02 40.32 2jww s PHE 18 CO 0.81 -0.70 0.44 -2.37 -0.10 0.00 0.00 175.22 173.31 2jww n THR 19 N 4.63 1.64 -0.12 0.64 5.66 -1.26 -4.35 114.28 121.12 2jww n THR 19 Ca -0.20 -0.74 -0.24 0.00 -3.05 0.00 0.00 64.05 59.82 2jww n THR 19 Cb 0.50 -1.26 -0.11 0.00 -1.55 0.00 0.00 70.33 67.92 2jww n THR 19 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jww n ALA 20 N -2.78 1.21 -0.08 1.79 0.00 -1.26 -4.00 120.51 115.40 2jww n ALA 20 Ca -0.26 -0.99 -0.04 0.00 0.00 0.00 0.00 53.44 52.15 2jww n ALA 20 Cb 1.06 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.49 -0.35 0.00 0.00 0.00 -1.87 1.09 119.26 117.64 2jww h ALA 21 Ca -0.60 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2jww h ALA 21 Cb 1.72 0.94 0.00 0.00 0.00 0.00 0.00 17.79 20.46 2jww h ALA 21 CO -0.24 -0.46 0.00 0.22 0.00 0.00 0.00 179.25 178.78 2jww h ASP 22 N -0.08 0.00 0.25 0.00 1.82 -1.76 1.01 116.42 117.66 2jww h ASP 22 Ca 0.03 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2jww h ASP 22 Cb 0.17 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.18 2jww h ASP 22 CO -0.23 0.00 -0.12 -1.28 -1.61 0.00 0.00 179.24 176.00 2jww h SER 23 N 0.00 -0.29 0.39 2.28 0.87 0.67 -3.35 113.55 114.12 2jww h SER 23 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2jww h SER 23 Cb 0.09 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 2jww h SER 23 CO 0.00 0.21 -1.46 2.22 -0.53 0.00 0.00 176.83 177.27 2jww n PHE 24 N -5.01 0.35 -3.13 2.24 1.16 0.27 -4.57 117.46 108.77 2jww n PHE 24 Ca -0.08 0.10 0.03 0.00 -1.87 0.00 0.00 57.45 55.64 2jww n PHE 24 Cb 0.25 -0.61 -0.00 0.00 -1.61 0.00 0.00 39.48 37.51 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 -4.60 -1.27 0.54 5.98 2.15 0.35 -4.66 116.67 115.15 2jww s ASP 25 Ca -0.03 -0.12 0.32 0.00 0.43 0.00 0.00 52.55 53.15 2jww s ASP 25 Cb 0.13 1.73 1.25 0.00 -0.30 0.00 0.00 42.92 45.73 2jww s ASP 25 CO 0.85 -0.20 1.94 -0.74 -0.17 0.00 0.00 175.17 176.85 2jww h HIS 26 N 7.37 0.00 -0.74 -5.34 -0.00 -1.69 -3.24 115.15 111.51 2jww h HIS 26 Ca -0.01 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.51 2jww h HIS 26 Cb 1.19 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.46 2jww h HIS 26 CO 0.13 0.01 -0.14 0.87 -0.00 0.00 0.00 177.93 178.80 2jww h LYS 27 N 0.00 0.02 0.05 5.26 1.79 -1.94 2.11 116.57 123.86 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 0.57 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 2jww h LYS 27 CO 0.00 0.01 -0.02 0.87 -1.08 0.00 0.00 179.45 179.23 2jww h LYS 28 N 0.02 -0.06 -0.50 3.15 6.56 -1.91 -0.28 116.57 123.54 2jww h LYS 28 Ca 0.37 0.00 0.15 0.00 -1.06 0.00 0.00 60.65 60.11 2jww h LYS 28 Cb 0.59 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 2jww h LYS 28 CO -0.74 -0.01 0.40 0.35 -2.06 0.00 0.00 179.45 177.39 2jww h PHE 29 N -0.10 0.00 0.00 -1.35 3.57 0.25 0.82 116.94 120.13 2jww h PHE 29 Ca -0.01 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2jww h PHE 29 Cb 0.08 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 2jww h PHE 29 CO -0.07 0.00 -0.12 0.35 -2.23 0.00 0.00 178.31 176.25 2jww h PHE 30 N 0.00 0.00 0.15 0.41 3.04 0.49 0.14 116.94 121.16 2jww h PHE 30 Ca 0.24 0.00 -0.29 0.00 3.98 0.00 0.00 57.97 61.90 2jww h PHE 30 Cb 1.04 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.56 2jww h PHE 30 CO 0.00 0.12 -1.46 1.96 -2.02 0.00 0.00 178.31 176.91 2jww h GLN 31 N 0.00 0.31 -0.22 1.11 4.20 0.88 -2.92 115.11 118.46 2jww h GLN 31 Ca -0.00 -0.53 -0.13 0.00 0.06 0.00 0.00 58.65 58.05 2jww h GLN 31 Cb 0.26 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2jww h GLN 31 CO 0.02 1.25 -0.41 0.52 -0.67 0.00 0.00 178.83 179.54 2jww h MET 32 N -0.17 0.52 0.00 1.46 2.86 -1.18 -2.71 114.93 115.72 2jww h MET 32 Ca -0.30 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2jww h MET 32 Cb 1.87 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.53 2jww h MET 32 CO 0.11 0.84 -0.01 -0.24 1.06 0.00 0.00 176.91 178.67 2jww h VAL 33 N 0.43 0.05 -0.47 -2.22 3.04 -0.87 -3.40 116.25 112.81 2jww h VAL 33 Ca 0.04 -0.36 -0.03 0.00 -1.01 0.00 0.00 66.70 65.34 2jww h VAL 33 Cb 0.90 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 2jww h VAL 33 CO 0.08 0.01 -0.05 0.61 -1.01 0.00 0.00 177.57 177.22 2jww n GLY 34 N -0.39 0.41 0.19 3.17 0.00 -1.02 -3.53 105.19 104.01 2jww n GLY 34 Ca -0.01 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.04 0.00 -0.70 0.99 3.38 -1.76 -2.23 115.31 114.94 2jww h LEU 35 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2jww h LEU 35 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2jww h LEU 35 CO 0.05 0.39 -0.36 0.29 0.09 0.00 0.00 178.44 178.89 2jww n LYS 36 N -3.70 0.99 0.00 1.13 5.02 -1.26 -4.62 118.16 115.72 2jww n LYS 36 Ca -0.01 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.58 2jww n LYS 36 Cb 0.48 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2jww n LYS 36 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jww n LYS 37 N -0.39 0.00 0.00 1.97 4.81 -0.84 -4.46 118.16 119.25 2jww n LYS 37 Ca 0.11 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.13 2jww n LYS 37 Cb 0.40 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.28 2jww n LYS 37 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jww n LYS 38 N -1.57 0.00 -4.05 1.64 5.02 -1.26 -5.07 118.16 112.87 2jww n LYS 38 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 2jww n LYS 38 Cb 0.00 -0.04 -0.08 0.00 -0.02 0.00 0.00 35.03 34.90 2jww n LYS 38 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2jww s SER 39 N -1.24 0.06 0.63 4.39 1.04 -1.26 -5.02 113.70 112.30 2jww s SER 39 Ca 0.00 -1.04 0.40 0.00 0.48 0.00 0.00 55.95 55.79 2jww s SER 39 Cb 0.00 0.45 2.15 0.00 0.10 0.00 0.00 66.02 68.72 2jww s SER 39 CO 0.00 -0.93 2.29 0.00 0.98 0.00 0.00 173.24 175.58 2jww h ALA 40 N 2.52 1.10 0.07 5.32 0.00 -1.92 -2.43 119.26 123.93 2jww h ALA 40 Ca -0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jww h ALA 40 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2jww h ALA 40 CO 0.47 0.01 -0.03 -0.44 0.00 0.00 0.00 179.25 179.26 2jww h ASP 41 N 0.00 -0.08 -0.64 0.00 5.19 -1.96 0.28 116.42 119.21 2jww h ASP 41 Ca -0.00 -0.47 0.12 0.00 -0.62 0.00 0.00 57.03 56.06 2jww h ASP 41 Cb 0.08 0.02 -0.09 0.00 0.18 0.00 0.00 39.33 39.53 2jww h ASP 41 CO 0.00 0.46 0.18 -0.78 -3.12 0.00 0.00 179.24 175.98 2jww h ASP 42 N -0.65 0.10 -0.26 6.45 3.58 -1.85 -0.76 116.42 123.03 2jww h ASP 42 Ca -0.01 0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 2jww h ASP 42 Cb 0.54 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2jww h ASP 42 CO 0.02 0.05 -0.45 -0.37 -2.88 0.00 0.00 179.24 175.60 2jww h VAL 43 N 0.32 1.30 -0.52 2.25 -1.51 -1.54 -2.99 116.25 113.56 2jww h VAL 43 Ca 0.34 -1.65 0.15 0.00 -1.23 0.00 0.00 66.70 64.31 2jww h VAL 43 Cb 0.50 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 2jww h VAL 43 CO -0.39 0.53 0.42 0.50 -1.23 0.00 0.00 177.57 177.39 2jww h LYS 44 N 0.52 0.00 -0.41 5.19 3.64 0.81 -0.93 116.57 125.38 2jww h LYS 44 Ca 0.02 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2jww h LYS 44 Cb 1.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 2jww h LYS 44 CO 0.10 0.00 0.21 0.87 -2.27 0.00 0.00 179.45 178.37 2jww h LYS 45 N 0.00 0.42 -0.50 1.90 6.56 -1.03 0.17 116.57 124.09 2jww h LYS 45 Ca 0.25 -0.03 0.15 0.00 -1.06 0.00 0.00 60.65 59.96 2jww h LYS 45 Cb 1.08 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 2jww h LYS 45 CO -0.00 0.28 0.46 -0.24 -2.06 0.00 0.00 179.45 177.89 2jww h VAL 46 N 0.43 0.46 -0.64 0.50 3.04 -1.31 -1.75 116.25 116.99 2jww h VAL 46 Ca 0.17 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.99 2jww h VAL 46 Cb 0.07 0.65 -0.12 0.00 -2.01 0.00 0.00 31.29 29.87 2jww h VAL 46 CO -0.11 0.00 -0.22 0.15 -1.01 0.00 0.00 177.57 176.38 2jww h PHE 47 N 0.00 -0.53 -0.03 3.17 3.57 -1.02 0.43 116.94 122.51 2jww h PHE 47 Ca 0.24 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 2jww h PHE 47 Cb 1.17 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 2jww h PHE 47 CO 0.00 -0.32 -0.51 1.25 -2.23 0.00 0.00 178.31 176.50 2jww h HIS 48 N -0.06 0.11 -0.12 0.41 2.76 -1.45 1.68 115.15 118.49 2jww h HIS 48 Ca 0.29 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2jww h HIS 48 Cb 0.51 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.44 2jww h HIS 48 CO -0.57 0.58 0.07 0.82 -1.30 0.00 0.00 177.93 177.53 2jww h ILE 49 N 0.07 1.08 0.06 6.26 1.08 -0.36 -1.23 117.51 124.48 2jww h ILE 49 Ca -0.00 -0.21 -0.30 0.00 -0.39 0.00 0.00 64.86 63.96 2jww h ILE 49 Cb 0.92 1.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.65 2jww h ILE 49 CO 0.07 0.07 -1.64 0.17 -0.69 0.00 0.00 178.15 176.13 2jww h LEU 50 N 0.11 0.21 -0.64 1.44 8.10 -0.28 -3.33 115.31 120.92 2jww h LEU 50 Ca 0.04 -0.37 0.00 0.00 0.11 0.00 0.00 57.88 57.66 2jww h LEU 50 Cb 0.06 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 40.21 2jww h LEU 50 CO -0.01 1.32 0.00 -0.67 -4.11 0.00 0.00 178.44 174.97 2jww n ASP 51 N -3.30 0.92 -0.34 0.17 -0.08 0.57 -4.18 116.55 110.32 2jww n ASP 51 Ca -0.18 -2.01 0.09 0.00 -1.51 0.00 0.00 54.79 51.18 2jww n ASP 51 Cb 1.04 -0.13 0.29 0.00 2.34 0.00 0.00 41.12 44.66 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 0.93 0.86 -0.20 -0.67 5.09 -1.34 -1.91 116.57 119.33 2jww h LYS 52 Ca 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 60.65 60.61 2jww h LYS 52 Cb 0.24 -0.19 -0.05 0.00 0.10 0.00 0.00 32.23 32.33 2jww h LYS 52 CO 0.01 0.57 -0.13 -3.47 -2.09 0.00 0.00 179.45 174.34 2jww n ASP 53 N -4.62 2.60 -0.76 7.07 2.03 -1.26 -4.58 116.55 117.03 2jww n ASP 53 Ca 0.19 -3.52 0.09 0.00 0.52 0.00 0.00 54.79 52.06 2jww n ASP 53 Cb 0.41 -0.56 0.10 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.05 1.69 -1.08 -0.67 4.76 -0.72 -4.97 118.16 116.13 2jww n LYS 54 Ca 0.25 -1.70 -0.03 0.00 -2.87 0.00 0.00 58.31 53.96 2jww n LYS 54 Cb 0.87 -1.36 -0.01 0.00 -1.84 0.00 0.00 35.03 32.69 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 1.02 -3.89 0.00 4.39 2.88 -1.25 -2.97 113.62 113.81 2jww n SER 55 Ca 0.12 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2jww n SER 55 Cb 0.46 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 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 -1.91 0.42 3.09 0.46 0.00 -1.26 -5.07 105.19 100.92 2jww n GLY 56 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.18 -0.18 1.61 0.08 -1.16 -4.62 117.98 111.53 2jww s PHE 57 Ca 0.00 0.43 -0.06 0.00 0.12 0.00 0.00 56.93 57.42 2jww s PHE 57 Cb 0.00 0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.47 2jww s PHE 57 CO 0.00 -0.14 0.03 0.42 -0.10 0.00 0.00 175.22 175.43 2jww s ILE 58 N -0.17 4.44 -0.19 0.64 1.01 -1.21 -4.73 121.20 120.99 2jww s ILE 58 Ca -0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 2jww s ILE 58 Cb -0.02 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 2jww s ILE 58 CO 0.01 0.46 0.08 -1.61 0.00 0.00 0.00 174.94 173.87 2jww s GLU 59 N 0.50 4.01 0.32 2.79 2.02 -1.26 -1.15 118.70 125.93 2jww s GLU 59 Ca 0.01 -0.32 0.23 0.00 0.02 0.00 0.00 54.97 54.90 2jww s GLU 59 Cb -0.13 -3.27 1.12 0.00 0.10 0.00 0.00 34.13 31.95 2jww s GLU 59 CO 0.01 0.25 1.21 -0.85 0.02 0.00 0.00 175.26 175.91 2jww n GLU 60 N 3.61 -0.03 0.05 1.61 0.28 -1.08 0.17 120.64 125.25 2jww n GLU 60 Ca -0.16 0.99 -0.13 0.00 -0.16 0.00 0.00 57.16 57.70 2jww n GLU 60 Cb 0.52 -1.91 -0.09 0.00 1.43 0.00 0.00 31.44 31.40 2jww n GLU 60 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2jww h ASP 61 N 0.00 -0.12 1.66 -1.84 5.19 -1.93 -3.06 116.42 116.32 2jww h ASP 61 Ca 0.67 -0.29 -0.02 0.00 -0.62 0.00 0.00 57.03 56.77 2jww h ASP 61 Cb 2.06 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 41.60 2jww h ASP 61 CO -0.42 0.24 -0.09 -0.08 -3.12 0.00 0.00 179.24 175.77 2jww h GLU 62 N -0.49 0.00 -0.69 3.56 4.57 0.62 -3.30 114.58 118.85 2jww h GLU 62 Ca -0.01 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.32 2jww h GLU 62 Cb 0.40 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.87 2jww h GLU 62 CO 0.02 0.09 -0.01 1.25 -1.18 0.00 0.00 179.01 179.18 2jww h LEU 63 N 0.00 -0.33 -1.64 1.64 7.12 0.18 0.40 115.31 122.69 2jww h LEU 63 Ca -0.00 0.18 0.02 0.00 0.13 0.00 0.00 57.88 58.20 2jww h LEU 63 Cb 0.94 0.31 -0.02 0.00 -0.53 0.00 0.00 40.66 41.36 2jww h LEU 63 CO 0.01 -0.15 0.26 1.23 -0.13 0.00 0.00 178.44 179.66 2jww h GLY 64 N 0.11 0.52 0.12 3.75 0.00 -1.64 0.35 103.07 106.27 2jww h GLY 64 Ca 0.37 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2jww h GLY 64 CO -0.60 0.18 -0.04 0.23 0.00 0.00 0.00 176.54 176.30 2jww h SER 65 N 0.48 -0.09 -0.00 0.19 0.87 -0.74 -3.29 113.55 110.97 2jww h SER 65 Ca 0.15 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2jww h SER 65 Cb 0.02 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2jww h SER 65 CO -0.03 0.52 0.03 -0.29 -0.53 0.00 0.00 176.83 176.52 2jww h ILE 66 N -0.99 0.04 -1.07 2.23 6.09 -0.25 -2.60 117.51 120.96 2jww h ILE 66 Ca -0.01 0.00 0.31 0.00 -1.37 0.00 0.00 64.86 63.79 2jww h ILE 66 Cb 0.36 0.97 -0.04 0.00 0.47 0.00 0.00 36.82 38.57 2jww h ILE 66 CO 0.02 0.00 0.88 0.25 -3.07 0.00 0.00 178.15 176.23 2jww h LEU 67 N 0.00 0.00 -1.29 2.19 5.85 -0.38 -0.64 115.31 121.05 2jww h LEU 67 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2jww h LEU 67 Cb 0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2jww h LEU 67 CO -0.00 0.00 0.60 0.11 -0.34 0.00 0.00 178.44 178.81 2jww h LYS 68 N 0.00 0.00 -0.38 1.25 1.79 -1.69 0.36 116.57 117.90 2jww h LYS 68 Ca 0.51 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 59.04 2jww h LYS 68 Cb 2.26 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.82 2jww h LYS 68 CO -0.01 0.00 -0.45 0.78 -1.08 0.00 0.00 179.45 178.69 2jww h GLY 69 N 0.00 -0.66 0.15 3.86 0.00 -1.40 1.01 103.07 106.03 2jww h GLY 69 Ca 0.03 0.58 -0.37 0.00 0.00 0.00 0.00 47.33 47.57 2jww h GLY 69 CO -0.00 -0.18 -2.34 1.97 0.00 0.00 0.00 176.54 176.00 2jww n PHE 70 N -5.41 0.24 1.36 5.60 -1.74 -0.58 -4.32 117.46 112.60 2jww n PHE 70 Ca -0.02 0.06 0.08 0.00 -0.56 0.00 0.00 57.45 57.01 2jww n PHE 70 Cb 0.35 -1.03 0.47 0.00 1.52 0.00 0.00 39.48 40.79 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 -3.13 0.00 -0.11 5.98 2.88 0.12 -4.14 113.62 115.22 2jww n SER 71 Ca -0.38 -0.86 0.26 0.00 -1.33 0.00 0.00 58.87 56.55 2jww n SER 71 Cb 1.05 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 65.06 2jww n SER 71 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2jww h SER 72 N 0.00 0.00 0.00 -3.46 0.87 0.92 1.22 113.55 113.11 2jww h SER 72 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2jww h SER 72 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jww h SER 72 CO 0.00 0.00 -0.19 0.47 -0.53 0.00 0.00 176.83 176.58 2jww n ASP 73 N -3.40 1.96 0.00 6.23 9.92 -1.26 -5.04 116.55 124.96 2jww n ASP 73 Ca 0.18 -3.14 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 2jww n ASP 73 Cb 1.22 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 41.27 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 -1.18 0.00 -1.72 2.24 0.00 0.42 -4.23 120.51 116.03 2jww n ALA 74 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2jww n ALA 74 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.12 2jww n ALA 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jww n ARG 75 N 0.00 0.00 0.00 0.00 3.00 -1.26 -5.01 116.66 113.39 2jww n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2jww n ARG 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2jww n ARG 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2jww n ASP 76 N 0.00 0.00 -4.59 0.55 5.75 -1.26 -4.91 116.55 112.08 2jww n ASP 76 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.36 2jww n ASP 76 Cb 0.00 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 2jww n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2jww s LEU 77 N 0.00 4.15 0.00 -2.12 1.02 -1.26 -4.69 118.68 115.77 2jww s LEU 77 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.54 2jww s LEU 77 Cb 0.00 -2.96 0.08 0.00 0.02 0.00 0.00 46.19 43.33 2jww s LEU 77 CO 0.00 -0.65 0.58 -1.20 0.02 0.00 0.00 176.35 175.10 2jww n SER 78 N 6.23 0.81 -0.22 2.29 7.64 -1.26 -4.33 113.62 124.79 2jww n SER 78 Ca 0.02 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.23 2jww n SER 78 Cb 0.48 -0.37 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 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 -0.50 0.48 -0.12 -0.43 0.00 -1.97 0.56 119.26 117.28 2jww h ALA 79 Ca -0.19 0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2jww h ALA 79 Cb 0.71 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2jww h ALA 79 CO 0.21 -0.42 -0.06 -0.22 0.00 0.00 0.00 179.25 178.76 2jww h LYS 80 N 0.02 -0.05 -0.09 0.00 3.64 -1.93 -2.17 116.57 115.99 2jww h LYS 80 Ca 0.32 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 2jww h LYS 80 Cb 0.50 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2jww h LYS 80 CO -0.64 -0.03 -0.38 0.93 -2.27 0.00 0.00 179.45 177.06 2jww h GLU 81 N -0.05 0.19 -0.00 1.90 4.39 -1.43 1.53 114.58 121.10 2jww h GLU 81 Ca 0.07 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2jww h GLU 81 Cb 0.15 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 2jww h GLU 81 CO -0.15 0.55 0.00 1.79 -1.16 0.00 0.00 179.01 180.04 2jww h THR 82 N 0.16 1.05 0.00 1.13 1.35 0.43 2.03 112.91 119.06 2jww h THR 82 Ca 0.02 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 2jww h THR 82 Cb 0.75 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.29 2jww h THR 82 CO 0.06 0.04 -0.58 0.11 -0.25 0.00 0.00 175.52 174.90 2jww h LYS 83 N -0.05 0.00 0.00 4.72 1.79 -1.19 -0.06 116.57 121.77 2jww h LYS 83 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2jww h LYS 83 Cb 0.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2jww h LYS 83 CO -0.00 0.58 -0.56 1.15 -1.08 0.00 0.00 179.45 179.54 2jww h THR 84 N 0.00 0.19 0.00 -0.16 2.02 0.26 -3.32 112.91 111.90 2jww h THR 84 Ca -0.01 -1.23 -0.02 0.00 0.77 0.00 0.00 66.41 65.93 2jww h THR 84 Cb 1.25 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2jww h THR 84 CO 0.07 0.07 -0.12 0.25 0.37 0.00 0.00 175.52 176.16 2jww h LEU 85 N -1.00 0.00 -0.10 2.58 5.85 0.30 -2.04 115.31 120.90 2jww h LEU 85 Ca -0.06 -0.91 -0.02 0.00 0.84 0.00 0.00 57.88 57.73 2jww h LEU 85 Cb 0.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2jww h LEU 85 CO -0.03 1.03 -0.02 -0.03 -0.34 0.00 0.00 178.44 179.04 2jww h MET 86 N -1.00 0.20 -0.62 1.25 4.05 -0.86 -0.93 114.93 117.02 2jww h MET 86 Ca -0.03 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.25 2jww h MET 86 Cb 0.99 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 2jww h MET 86 CO -0.02 0.50 0.14 0.00 0.23 0.00 0.00 176.91 177.75 2jww h ALA 87 N 0.69 1.07 0.23 0.39 0.00 -1.10 -1.06 119.26 119.48 2jww h ALA 87 Ca 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2jww h ALA 87 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jww h ALA 87 CO 0.01 0.61 -0.11 0.00 0.00 0.00 0.00 179.25 179.76 2jww h ALA 88 N 1.21 -0.72 -1.49 0.00 0.00 -1.32 -3.06 119.26 113.88 2jww h ALA 88 Ca 0.20 -0.07 0.44 0.00 0.00 0.00 0.00 54.91 55.48 2jww h ALA 88 Cb 0.35 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 2jww h ALA 88 CO 0.00 -0.70 1.04 0.78 0.00 0.00 0.00 179.25 180.38 2jww h GLY 89 N -0.44 0.43 -3.91 0.00 0.00 -1.21 0.30 103.07 98.24 2jww h GLY 89 Ca -0.03 -0.05 -0.56 0.00 0.00 0.00 0.00 47.33 46.70 2jww h GLY 89 CO 0.05 -0.11 0.71 1.34 0.00 0.00 0.00 176.54 178.53 2jww n ASP 90 N -4.26 7.23 -0.11 0.19 2.03 -0.40 -2.92 116.55 118.31 2jww n ASP 90 Ca 0.35 -3.52 0.10 0.00 0.52 0.00 0.00 54.79 52.24 2jww n ASP 90 Cb 1.54 -1.02 0.18 0.00 -0.72 0.00 0.00 41.12 41.09 2jww n ASP 90 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jww n LYS 91 N -0.38 -0.02 0.21 -0.67 4.01 0.11 0.19 118.16 121.60 2jww n LYS 91 Ca 0.51 0.47 0.10 0.00 -0.51 0.00 0.00 58.31 58.87 2jww n LYS 91 Cb 0.60 -0.82 0.54 0.00 -0.51 0.00 0.00 35.03 34.84 2jww n LYS 91 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2jww h ASP 92 N 0.00 0.00 -4.39 4.39 3.32 -1.86 -3.45 116.42 114.43 2jww h ASP 92 Ca 0.27 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 2jww h ASP 92 Cb 0.69 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.34 2jww h ASP 92 CO -0.27 0.00 -0.49 0.61 -1.72 0.00 0.00 179.24 177.38 2jww n GLY 93 N -1.26 -0.09 0.30 2.75 0.00 0.50 -4.93 105.19 102.45 2jww n GLY 93 Ca -0.01 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.84 1.46 -0.20 1.61 8.00 -1.25 -4.95 116.55 119.38 2jww n ASP 94 Ca -0.05 -1.16 -0.03 0.00 0.71 0.00 0.00 54.79 54.27 2jww n ASP 94 Cb 0.56 0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 42.13 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 1.42 0.57 3.45 0.44 0.00 -1.26 -4.98 105.19 104.83 2jww n GLY 95 Ca 0.09 -0.38 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.43 1.04 -0.36 1.61 -0.14 -1.26 -2.62 119.74 116.58 2jww s LYS 96 Ca 0.00 0.00 -0.11 0.00 -1.36 0.00 0.00 55.97 54.50 2jww s LYS 96 Cb 0.00 0.48 0.02 0.00 -1.68 0.00 0.00 37.83 36.65 2jww s LYS 96 CO 0.00 -0.35 0.19 0.42 -0.76 0.00 0.00 175.35 174.85 2jww s ILE 97 N -1.83 4.62 0.47 2.17 1.01 -0.30 -4.78 121.20 122.55 2jww s ILE 97 Ca -0.08 -0.70 0.03 0.00 0.00 0.00 0.00 60.65 59.89 2jww s ILE 97 Cb -0.01 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2jww s ILE 97 CO 0.04 -0.14 0.66 -0.83 0.00 0.00 0.00 174.94 174.67 2jww s GLY 98 N 1.58 1.72 0.36 6.18 0.00 -1.26 -3.34 107.32 112.56 2jww s GLY 98 Ca 0.03 -1.31 0.15 0.00 0.00 0.00 0.00 44.72 43.59 2jww s GLY 98 CO 0.07 -1.11 1.73 -0.24 0.00 0.00 0.00 173.10 173.54 2jww h VAL 99 N 0.39 0.46 -0.12 1.40 3.04 -1.97 1.38 116.25 120.83 2jww h VAL 99 Ca -0.44 -0.15 -0.09 0.00 -1.01 0.00 0.00 66.70 65.01 2jww h VAL 99 Cb 1.27 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2jww h VAL 99 CO 0.53 0.08 -0.28 1.05 -1.01 0.00 0.00 177.57 177.94 2jww h GLU 100 N 0.44 0.40 0.00 4.17 -0.00 -1.98 -3.19 114.58 114.42 2jww h GLU 100 Ca 0.66 -0.27 -0.04 0.00 -0.00 0.00 0.00 59.36 59.70 2jww h GLU 100 Cb 1.50 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 30.28 2jww h GLU 100 CO -0.43 0.88 -0.21 0.93 -0.00 0.00 0.00 179.01 180.18 2jww h GLU 101 N -0.01 0.00 -0.93 1.06 4.39 -1.28 -3.14 114.58 114.67 2jww h GLU 101 Ca 0.00 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.89 2jww h GLU 101 Cb 0.88 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.45 2jww h GLU 101 CO 0.06 0.21 0.60 0.35 -1.16 0.00 0.00 179.01 179.07 2jww h PHE 102 N 0.00 0.72 0.00 4.33 3.04 0.18 0.47 116.94 125.68 2jww h PHE 102 Ca -0.00 0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 2jww h PHE 102 Cb 0.91 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 39.18 2jww h PHE 102 CO 0.00 0.20 -0.92 0.77 -2.02 0.00 0.00 178.31 176.34 2jww h SER 103 N 0.54 0.03 -0.37 0.41 0.02 -1.66 -3.29 113.55 109.25 2jww h SER 103 Ca 0.49 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.46 2jww h SER 103 Cb 1.03 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 2jww h SER 103 CO -0.23 0.93 0.12 0.74 -1.14 0.00 0.00 176.83 177.25 2jww h THR 104 N 0.01 0.88 0.00 -2.27 2.02 -0.13 -0.82 112.91 112.60 2jww h THR 104 Ca -0.02 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2jww h THR 104 Cb 1.61 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.61 2jww h THR 104 CO 0.12 0.05 -0.11 0.17 0.37 0.00 0.00 175.52 176.12 2jww h LEU 105 N 0.27 0.00 -1.84 2.58 -0.00 -1.28 -1.95 115.31 113.08 2jww h LEU 105 Ca 0.17 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 58.11 2jww h LEU 105 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.79 2jww h LEU 105 CO -0.18 0.11 0.24 0.58 -0.00 0.00 0.00 178.44 179.19 2jww h VAL 106 N 0.00 0.93 0.04 0.15 2.07 -1.21 0.72 116.25 118.95 2jww h VAL 106 Ca -0.00 -0.07 -0.24 0.00 0.82 0.00 0.00 66.70 67.21 2jww h VAL 106 Cb 0.42 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2jww h VAL 106 CO 0.01 0.04 -1.18 0.00 0.02 0.00 0.00 177.57 176.46 2jww h ALA 107 N 1.81 0.32 -0.67 1.67 0.00 -1.34 -3.38 119.26 117.68 2jww h ALA 107 Ca 0.16 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jww h ALA 107 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2jww h ALA 107 CO -0.03 1.20 0.00 0.39 0.00 0.00 0.00 179.25 180.81 2jww n GLU 108 N -3.38 0.00 0.00 0.00 -0.58 0.22 -5.16 120.64 111.74 2jww n GLU 108 Ca -0.05 0.58 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 2jww n GLU 108 Cb 0.98 -1.39 0.01 0.00 -0.57 0.00 0.00 31.44 30.47 2jww n GLU 108 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10