#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dww n ALA 12 N 0.00 0.00 -0.24 3.55 0.00 -1.26 -3.41 120.51 119.15 3dww n ALA 12 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 3dww n ALA 12 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 3dww n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dww n LEU 13 N -0.08 0.25 -0.04 0.00 4.77 -1.26 -0.50 117.00 120.15 3dww n LEU 13 Ca 0.00 1.24 -0.12 0.00 -0.03 0.00 0.00 56.01 57.10 3dww n LEU 13 Cb 0.00 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.42 3dww n LEU 13 CO 0.00 -1.38 0.69 1.55 -1.33 0.00 0.00 177.39 176.92 3dww h PRO 14 N 0.00 0.20 0.00 3.23 0.13 -2.02 -2.68 132.00 130.85 3dww h PRO 14 Ca 0.63 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.68 3dww h PRO 14 Cb 1.65 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.77 3dww h PRO 14 CO -0.58 0.51 0.53 0.00 -0.23 0.00 0.00 178.00 178.23 3dww h ALA 15 N 0.68 1.43 0.00 -0.56 0.00 -0.81 0.40 119.26 120.40 3dww h ALA 15 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3dww h ALA 15 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3dww h ALA 15 CO 0.01 -0.43 -1.83 1.19 0.00 0.00 0.00 179.25 178.19 3dww n PHE 16 N -2.23 0.54 0.05 0.00 3.01 -1.03 -4.42 117.46 113.38 3dww n PHE 16 Ca -0.01 0.18 -0.13 0.00 1.01 0.00 0.00 57.45 58.50 3dww n PHE 16 Cb 0.55 -0.98 -0.07 0.00 -0.01 0.00 0.00 39.48 38.97 3dww n PHE 16 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3dww h LEU 17 N 0.00 -1.27 -0.74 4.37 3.38 0.07 -1.39 115.31 119.72 3dww h LEU 17 Ca -0.27 0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dww h LEU 17 Cb 1.74 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.99 3dww h LEU 17 CO 0.04 -0.45 0.00 0.18 0.09 0.00 0.00 178.44 178.29 3dww n LEU 18 N -5.45 0.55 0.20 1.67 4.77 -1.25 -0.60 117.00 116.89 3dww n LEU 18 Ca -0.06 0.66 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 3dww n LEU 18 Cb 0.37 -0.62 0.43 0.00 -2.33 0.00 0.00 43.42 41.27 3dww n LEU 18 CO 0.16 -0.60 0.77 0.00 -1.33 0.00 0.00 177.39 176.38 3dww n SER 20 N -3.90 0.00 -0.29 0.00 3.41 0.23 -3.29 113.62 109.78 3dww n SER 20 Ca -0.02 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.33 3dww n SER 20 Cb 0.39 -0.43 0.15 0.00 -0.26 0.00 0.00 64.21 64.06 3dww n SER 20 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dww h THR 21 N 0.00 0.21 0.18 6.66 2.02 -1.59 -0.68 112.91 119.72 3dww h THR 21 Ca 0.00 -0.01 -0.31 0.00 0.77 0.00 0.00 66.41 66.86 3dww h THR 21 Cb 0.00 0.17 0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3dww h THR 21 CO 0.00 0.01 -1.35 -0.07 0.37 0.00 0.00 175.52 174.48 3dww h LEU 22 N 0.03 0.78 0.00 2.58 3.38 -1.25 -3.08 115.31 117.76 3dww h LEU 22 Ca 0.43 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3dww h LEU 22 Cb 0.73 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3dww h LEU 22 CO -0.80 1.60 -0.48 0.18 0.09 0.00 0.00 178.44 179.03 3dww n LEU 23 N -3.71 0.53 0.23 1.67 4.77 -0.98 -1.38 117.00 118.13 3dww n LEU 23 Ca -0.14 0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 3dww n LEU 23 Cb 1.04 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.84 3dww n LEU 23 CO 0.58 0.03 0.40 0.58 -1.33 0.00 0.00 177.39 177.66 3dww h VAL 24 N 0.00 0.00 -0.19 4.08 2.07 -1.21 0.62 116.25 121.63 3dww h VAL 24 Ca 0.00 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3dww h VAL 24 Cb 0.61 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3dww h VAL 24 CO 0.00 0.00 -0.11 -0.38 0.02 0.00 0.00 177.57 177.10 3dww n ILE 25 N -3.99 -0.13 -0.31 4.57 5.41 -1.16 0.12 119.36 123.86 3dww n ILE 25 Ca -0.07 1.45 -0.09 0.00 1.00 0.00 0.00 62.75 65.04 3dww n ILE 25 Cb 0.24 -1.90 -0.08 0.00 -0.71 0.00 0.00 39.64 37.19 3dww n ILE 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3dww h LYS 26 N 0.00 -0.04 0.00 0.38 1.63 -1.32 -2.28 116.57 114.94 3dww h LYS 26 Ca 0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3dww h LYS 26 Cb 0.08 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3dww h LYS 26 CO -0.17 -0.03 0.00 -1.33 -3.45 0.00 0.00 179.45 174.47 3dww n MET 27 N -4.81 0.00 0.00 1.90 2.81 0.21 -4.28 117.12 112.95 3dww n MET 27 Ca 0.01 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.97 3dww n MET 27 Cb 0.22 -0.11 0.36 0.00 -0.71 0.00 0.00 33.22 32.97 3dww n MET 27 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 3dww n TYR 28 N -0.18 0.00 0.02 2.03 9.36 0.32 -0.90 117.16 127.81 3dww n TYR 28 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 3dww n TYR 28 Cb 0.00 -0.36 -0.12 0.00 -0.63 0.00 0.00 39.34 38.23 3dww n TYR 28 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3dww h VAL 29 N 0.00 1.14 0.00 2.97 2.07 -0.60 -2.45 116.25 119.37 3dww h VAL 29 Ca 0.00 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.64 3dww h VAL 29 Cb 0.18 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 3dww h VAL 29 CO 0.00 0.65 0.00 0.58 0.02 0.00 0.00 177.57 178.82 3dww h VAL 30 N 0.00 0.00 -0.04 2.57 2.07 -0.58 0.27 116.25 120.53 3dww h VAL 30 Ca -0.16 -0.57 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3dww h VAL 30 Cb 1.85 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 33.15 3dww h VAL 30 CO 0.09 0.00 -0.21 0.00 0.02 0.00 0.00 177.57 177.47 3dww h ALA 31 N 2.11 0.09 -0.02 1.67 0.00 -1.05 -3.13 119.26 118.93 3dww h ALA 31 Ca 0.00 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 3dww h ALA 31 Cb 0.63 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3dww h ALA 31 CO 0.00 0.07 -0.81 0.82 0.00 0.00 0.00 179.25 179.32 3dww h ILE 32 N -0.33 1.45 0.02 0.00 2.04 -1.05 -3.12 117.51 116.53 3dww h ILE 32 Ca -0.01 -2.43 -0.00 0.00 1.00 0.00 0.00 64.86 63.41 3dww h ILE 32 Cb 0.87 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3dww h ILE 32 CO 0.04 0.71 -0.01 0.40 0.00 0.00 0.00 178.15 179.30 3dww h ILE 33 N 0.15 0.00 0.00 -0.67 2.04 -0.64 -2.91 117.51 115.47 3dww h ILE 33 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3dww h ILE 33 Cb 1.41 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3dww h ILE 33 CO 0.13 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.63 3dww n THR 34 N -2.16 0.00 -0.26 -0.27 -2.24 -1.18 0.21 114.28 108.38 3dww n THR 34 Ca -0.00 0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 62.42 3dww n THR 34 Cb 0.01 -0.95 0.05 0.00 -2.10 0.00 0.00 70.33 67.34 3dww n THR 34 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3dww h GLY 35 N 0.00 1.15 0.98 3.38 0.00 -1.73 0.11 103.07 106.97 3dww h GLY 35 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 3dww h GLY 35 CO 0.00 0.58 0.26 1.46 0.00 0.00 0.00 176.54 178.84 3dww h GLN 36 N 1.03 0.75 -0.18 4.80 1.08 -1.22 0.46 115.11 121.84 3dww h GLN 36 Ca 0.24 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.29 3dww h GLN 36 Cb 0.19 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3dww h GLN 36 CO -0.02 0.61 -0.12 0.28 -0.95 0.00 0.00 178.83 178.63 3dww h VAL 37 N 0.70 1.19 -0.01 -0.54 2.07 0.42 -3.11 116.25 116.96 3dww h VAL 37 Ca 0.18 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3dww h VAL 37 Cb 0.10 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3dww h VAL 37 CO -0.02 0.26 -0.01 -0.09 0.02 0.00 0.00 177.57 177.72 3dww h ARG 38 N 0.28 0.03 0.00 1.57 2.43 -0.27 -2.87 114.38 115.55 3dww h ARG 38 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dww h ARG 38 Cb 0.38 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3dww h ARG 38 CO 0.02 0.52 0.00 1.28 -1.51 0.00 0.00 179.97 180.28 3dww n LEU 39 N -4.83 0.40 -0.01 3.80 4.77 0.11 -1.55 117.00 119.70 3dww n LEU 39 Ca -0.08 0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 56.37 3dww n LEU 39 Cb 0.26 -0.62 -0.14 0.00 -2.33 0.00 0.00 43.42 40.59 3dww n LEU 39 CO 0.34 -0.60 -0.74 -1.14 -1.33 0.00 0.00 177.39 173.93 3dww n ARG 40 N -1.98 0.71 0.00 3.23 3.00 -1.20 -4.14 116.66 116.27 3dww n ARG 40 Ca 0.01 0.26 0.15 0.00 -0.00 0.00 0.00 57.85 58.27 3dww n ARG 40 Cb 0.13 -1.73 0.70 0.00 0.00 0.00 0.00 32.46 31.56 3dww n ARG 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3dww n LYS 41 N -3.30 0.75 -1.01 -0.14 5.02 -0.59 -4.94 118.16 113.94 3dww n LYS 41 Ca -0.27 -0.19 -0.33 0.00 -2.02 0.00 0.00 58.31 55.51 3dww n LYS 41 Cb 1.05 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.46 3dww n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dww n LYS 42 N -0.96 0.00 -0.03 1.97 3.00 -0.64 -4.77 118.16 116.73 3dww n LYS 42 Ca 0.16 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.60 3dww n LYS 42 Cb 0.24 -1.06 0.51 0.00 0.00 0.00 0.00 35.03 34.73 3dww n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dww n ALA 43 N 6.86 2.57 -1.33 3.14 0.00 -1.26 -4.95 120.51 125.53 3dww n ALA 43 Ca 0.45 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 53.19 3dww n ALA 43 Cb 0.01 -1.19 0.14 0.00 0.00 0.00 0.00 19.45 18.40 3dww n ALA 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dww s PHE 44 N -1.91 2.41 -0.75 0.00 0.40 -1.26 -3.12 117.98 113.75 3dww s PHE 44 Ca 0.35 1.10 0.00 0.00 -0.60 0.00 0.00 56.93 57.78 3dww s PHE 44 Cb 0.19 -3.22 0.00 0.00 0.51 0.00 0.00 43.02 40.50 3dww s PHE 44 CO 0.29 -2.38 0.00 0.00 0.70 0.00 0.00 175.22 173.84 3dww n ALA 45 N -3.84 -0.17 -1.42 5.36 0.00 -1.26 -5.02 120.51 114.16 3dww n ALA 45 Ca 0.06 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 3dww n ALA 45 Cb 0.57 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3dww n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dww n ASN 46 N 0.63 -1.33 0.00 0.00 4.13 -1.18 -2.79 115.26 114.72 3dww n ASN 46 Ca -0.09 0.90 0.00 0.00 1.68 0.00 0.00 54.58 57.08 3dww n ASN 46 Cb 0.41 -1.05 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 3dww n ASN 46 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3dww n PRO 47 N 0.80 0.00 -2.44 3.52 -0.02 -1.26 -1.07 135.00 134.53 3dww n PRO 47 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3dww n PRO 47 Cb 0.39 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.85 3dww n PRO 47 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dww n GLU 48 N 0.00 -4.54 -3.72 -0.52 2.13 -1.12 -5.10 120.64 107.77 3dww n GLU 48 Ca 0.00 3.34 -0.10 0.00 0.66 0.00 0.00 57.16 61.06 3dww n GLU 48 Cb 0.00 -4.41 -0.06 0.00 0.27 0.00 0.00 31.44 27.24 3dww n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dww s ASP 49 N -0.56 -0.10 0.29 4.31 -1.08 -0.23 -5.11 116.67 114.20 3dww s ASP 49 Ca -0.09 -0.45 -0.13 0.00 -0.52 0.00 0.00 52.55 51.36 3dww s ASP 49 Cb 0.01 0.42 -0.08 0.00 -1.46 0.00 0.00 42.92 41.81 3dww s ASP 49 CO 0.25 -0.81 0.67 0.00 0.52 0.00 0.00 175.17 175.80 3dww s ALA 50 N -3.83 3.41 1.00 3.66 0.00 -1.26 -4.79 121.76 119.95 3dww s ALA 50 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3dww s ALA 50 Cb 0.03 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.51 3dww s ALA 50 CO -0.11 0.39 0.00 1.47 0.00 0.00 0.00 175.76 177.50 3dww n LEU 51 N -0.31 0.00 -0.30 0.00 -0.00 -1.26 -4.96 117.00 110.16 3dww n LEU 51 Ca 0.02 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.07 3dww n LEU 51 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 3dww n LEU 51 CO 0.43 -0.05 -0.10 -2.11 -0.00 0.00 0.00 177.39 175.56 3dww n ARG 52 N -0.03 -0.66 -2.54 1.47 0.00 -1.26 -5.10 116.66 108.55 3dww n ARG 52 Ca 0.00 0.49 -0.05 0.00 -0.00 0.00 0.00 57.85 58.29 3dww n ARG 52 Cb 0.00 -0.78 -0.04 0.00 -0.00 0.00 0.00 32.46 31.63 3dww n ARG 52 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3dww n HIS 53 N -2.86 -4.41 -3.36 2.89 1.44 -1.26 -4.98 115.22 102.68 3dww n HIS 53 Ca -0.01 2.57 -0.45 0.00 -2.01 0.00 0.00 57.72 57.82 3dww n HIS 53 Cb 0.14 -3.86 -0.05 0.00 0.12 0.00 0.00 29.99 26.34 3dww n HIS 53 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 3dww s GLY 54 N -0.64 2.24 0.00 -1.39 0.00 -1.26 -4.76 107.32 101.51 3dww s GLY 54 Ca -0.27 -2.76 0.00 0.00 0.00 0.00 0.00 44.72 41.69 3dww s GLY 54 CO 0.72 1.20 0.00 0.61 0.00 0.00 0.00 173.10 175.63 3dww n GLY 55 N 4.82 -0.83 0.02 0.20 0.00 -1.26 -4.79 105.19 103.35 3dww n GLY 55 Ca -0.05 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 3dww n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dww n PRO 56 N 0.00 0.13 -3.45 1.61 -0.04 -1.26 -4.95 135.00 127.04 3dww n PRO 56 Ca 0.00 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.52 3dww n PRO 56 Cb 0.00 -1.00 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 3dww n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dww s GLN 57 N -1.36 3.51 0.05 0.54 -0.21 -1.26 -5.03 119.66 115.90 3dww s GLN 57 Ca -0.04 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 54.73 3dww s GLN 57 Cb 0.01 -2.70 -0.16 0.00 1.00 0.00 0.00 33.01 31.16 3dww s GLN 57 CO 0.06 0.21 1.45 0.10 -2.12 0.00 0.00 175.29 174.99 3dww h TYR 58 N 1.08 -1.02 0.00 0.91 -0.00 -1.99 -3.32 116.97 112.62 3dww h TYR 58 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.22 3dww h TYR 58 Cb 1.21 0.35 0.00 0.00 0.00 0.00 0.00 36.73 38.29 3dww h TYR 58 CO 0.52 -0.60 0.00 0.00 -0.00 0.00 0.00 178.16 178.08 3dww n ARG 60 N -1.96 0.00 -0.09 0.00 0.63 -1.25 -4.18 116.66 109.80 3dww n ARG 60 Ca 0.00 0.36 -0.10 0.00 -0.92 0.00 0.00 57.85 57.19 3dww n ARG 60 Cb 0.00 -0.71 -0.13 0.00 0.45 0.00 0.00 32.46 32.07 3dww n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3dww n SER 61 N -0.88 0.93 -0.16 6.15 3.41 -1.02 -4.37 113.62 117.68 3dww n SER 61 Ca 0.00 -0.02 -0.10 0.00 -0.26 0.00 0.00 58.87 58.49 3dww n SER 61 Cb 0.00 0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 3dww n SER 61 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dww h ASP 62 N 0.00 -1.53 0.78 4.04 5.19 -0.83 0.99 116.42 125.06 3dww h ASP 62 Ca -0.48 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 3dww h ASP 62 Cb 2.03 0.67 0.00 0.00 0.18 0.00 0.00 39.33 42.21 3dww h ASP 62 CO 0.01 -0.36 -0.50 -0.81 -3.12 0.00 0.00 179.24 174.45 3dww n PRO 63 N -5.40 0.17 -0.09 3.56 -0.04 -1.26 -3.99 135.00 127.94 3dww n PRO 63 Ca -0.00 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 3dww n PRO 63 Cb 0.35 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 3dww n PRO 63 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 3dww h ASP 64 N 0.00 0.00 -0.74 3.54 3.58 -1.56 -2.86 116.42 118.38 3dww h ASP 64 Ca 0.00 -0.38 0.08 0.00 0.42 0.00 0.00 57.03 57.15 3dww h ASP 64 Cb 0.64 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.65 3dww h ASP 64 CO 0.00 1.22 0.49 0.58 -2.88 0.00 0.00 179.24 178.64 3dww h VAL 65 N -1.00 0.99 0.60 2.25 2.07 0.81 1.00 116.25 122.97 3dww h VAL 65 Ca -0.22 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 3dww h VAL 65 Cb 1.01 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3dww h VAL 65 CO -0.13 0.13 -0.29 -0.08 0.02 0.00 0.00 177.57 177.22 3dww h GLU 66 N 0.72 -0.78 -0.49 1.57 4.81 -1.72 -2.40 114.58 116.29 3dww h GLU 66 Ca 0.33 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.71 3dww h GLU 66 Cb 0.34 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 29.80 3dww h GLU 66 CO -0.11 -0.52 -0.20 0.00 -0.73 0.00 0.00 179.01 177.44 3dww h ARG 67 N -0.87 -0.09 -0.28 1.92 3.08 -0.60 2.34 114.38 119.89 3dww h ARG 67 Ca -0.08 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.99 3dww h ARG 67 Cb 0.62 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3dww h ARG 67 CO 0.14 -0.06 0.14 0.00 -1.07 0.00 0.00 179.97 179.12 3dww h LEU 69 N 0.30 -0.38 -0.47 0.00 3.38 -0.62 -2.41 115.31 115.11 3dww h LEU 69 Ca 0.11 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3dww h LEU 69 Cb 0.03 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 3dww h LEU 69 CO -0.08 -0.23 -0.56 0.03 0.09 0.00 0.00 178.44 177.69 3dww h ARG 70 N -0.52 -0.35 -0.97 1.13 2.47 0.39 1.84 114.38 118.37 3dww h ARG 70 Ca -0.05 0.02 0.17 0.00 -1.26 0.00 0.00 59.98 58.87 3dww h ARG 70 Cb 0.34 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.65 3dww h ARG 70 CO 0.07 -0.23 0.61 0.00 0.56 0.00 0.00 179.97 180.98 3dww h ALA 71 N 0.01 1.78 -0.24 0.04 0.00 0.13 1.24 119.26 122.23 3dww h ALA 71 Ca 0.08 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 3dww h ALA 71 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3dww h ALA 71 CO -0.63 -0.10 -0.63 0.45 0.00 0.00 0.00 179.25 178.34 3dww h HIS 72 N 0.72 1.07 0.34 0.00 3.86 -0.79 -3.24 115.15 117.10 3dww h HIS 72 Ca 0.52 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3dww h HIS 72 Cb 0.86 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.14 3dww h HIS 72 CO -0.00 1.24 -0.20 0.00 0.86 0.00 0.00 177.93 179.83 3dww h ARG 73 N 0.61 -0.49 0.25 2.45 3.08 1.12 0.19 114.38 121.58 3dww h ARG 73 Ca -0.01 0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.08 3dww h ARG 73 Cb 1.24 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 3dww h ARG 73 CO 0.13 -0.33 -0.32 -0.91 -1.07 0.00 0.00 179.97 177.48 3dww h ASN 74 N -0.51 -0.88 0.58 7.04 2.35 0.55 0.88 115.58 125.58 3dww h ASN 74 Ca -0.04 0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3dww h ASN 74 Cb 0.42 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3dww h ASN 74 CO 0.04 -0.44 -0.20 0.44 -1.65 0.00 0.00 177.43 175.62 3dww h ASP 75 N -0.63 0.00 0.60 5.81 3.32 -1.59 -2.71 116.42 121.22 3dww h ASP 75 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dww h ASP 75 Cb 0.60 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.15 3dww h ASP 75 CO -0.10 0.20 -0.29 0.24 -1.72 0.00 0.00 179.24 177.57 3dww h MET 76 N 0.00 -0.78 0.36 3.56 2.86 -0.41 -3.28 114.93 117.25 3dww h MET 76 Ca -0.00 0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3dww h MET 76 Cb 0.54 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 3dww h MET 76 CO 0.03 -0.49 -0.27 0.93 1.06 0.00 0.00 176.91 178.17 3dww h GLU 77 N -1.16 -0.60 -0.28 1.72 5.08 -0.54 -2.90 114.58 115.90 3dww h GLU 77 Ca -0.08 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3dww h GLU 77 Cb 0.65 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3dww h GLU 77 CO 0.14 -0.40 0.17 1.15 -1.00 0.00 0.00 179.01 179.07 3dww h THR 78 N -0.63 1.05 -0.23 1.13 2.02 -1.72 -3.36 112.91 111.18 3dww h THR 78 Ca -0.03 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.08 3dww h THR 78 Cb 0.54 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 3dww h THR 78 CO 0.00 0.06 -0.44 -0.29 0.37 0.00 0.00 175.52 175.23 3dww h ILE 79 N 0.35 0.11 0.51 3.11 2.10 -1.57 -2.38 117.51 119.74 3dww h ILE 79 Ca 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.03 3dww h ILE 79 Cb -0.02 0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 35.79 3dww h ILE 79 CO -0.04 0.00 -0.51 1.88 -1.08 0.00 0.00 178.15 178.41 3dww h TYR 80 N -0.45 -1.40 -1.00 2.19 -1.99 -1.71 0.76 116.97 113.36 3dww h TYR 80 Ca 0.09 0.01 0.38 0.00 2.00 0.00 0.00 58.73 61.21 3dww h TYR 80 Cb 0.62 0.55 -0.18 0.00 2.00 0.00 0.00 36.73 39.71 3dww h TYR 80 CO -0.55 -0.68 0.41 -2.30 -0.00 0.00 0.00 178.16 175.04 3dww n PRO 81 N -5.57 -0.06 0.15 4.88 -0.01 -1.16 -0.51 135.00 132.72 3dww n PRO 81 Ca -0.12 1.41 0.09 0.00 -0.01 0.00 0.00 63.50 64.87 3dww n PRO 81 Cb 0.47 -2.45 0.07 0.00 -0.01 0.00 0.00 33.50 31.57 3dww n PRO 81 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 175.50 175.84 3dww h PHE 82 N 0.00 0.00 0.00 6.00 3.57 -0.69 -3.23 116.94 122.59 3dww h PHE 82 Ca 0.79 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.29 3dww h PHE 82 Cb 2.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.74 3dww h PHE 82 CO -0.14 0.14 0.00 1.28 -2.23 0.00 0.00 178.31 177.36 3dww n LEU 83 N -2.97 1.82 -0.13 0.59 4.77 0.25 -4.21 117.00 117.13 3dww n LEU 83 Ca 0.01 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 3dww n LEU 83 Cb 0.60 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3dww n LEU 83 CO 0.38 0.00 1.01 0.15 -1.33 0.00 0.00 177.39 177.60 3dww h PHE 84 N 0.00 0.42 -0.04 -1.77 -0.00 -1.01 0.63 116.94 115.16 3dww h PHE 84 Ca 0.00 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 58.02 3dww h PHE 84 Cb 0.00 -0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 35.78 3dww h PHE 84 CO 0.00 0.23 -0.19 -0.07 -0.00 0.00 0.00 178.31 178.28 3dww h LEU 85 N 0.46 -0.55 0.41 0.59 3.38 -1.69 0.17 115.31 118.07 3dww h LEU 85 Ca 0.17 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3dww h LEU 85 Cb 0.05 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3dww h LEU 85 CO -0.10 -0.24 -0.48 1.23 0.09 0.00 0.00 178.44 178.94 3dww h GLY 86 N -0.28 -1.22 0.25 0.83 0.00 -1.66 -3.12 103.07 97.88 3dww h GLY 86 Ca 0.07 0.59 0.07 0.00 0.00 0.00 0.00 47.33 48.06 3dww h GLY 86 CO -0.21 -0.35 -0.13 0.74 0.00 0.00 0.00 176.54 176.60 3dww h PHE 87 N -0.90 -0.29 0.00 5.60 -1.00 0.18 0.81 116.94 121.33 3dww h PHE 87 Ca -0.05 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.76 3dww h PHE 87 Cb 0.80 0.18 0.00 0.00 3.61 0.00 0.00 35.95 40.54 3dww h PHE 87 CO -0.28 -0.20 0.00 0.28 -1.61 0.00 0.00 178.31 176.51 3dww n VAL 88 N -5.31 0.26 -0.02 -0.55 0.31 0.45 -0.64 118.33 112.83 3dww n VAL 88 Ca 0.01 0.07 0.05 0.00 -0.01 0.00 0.00 64.34 64.45 3dww n VAL 88 Cb 0.22 -0.71 -0.14 0.00 -0.91 0.00 0.00 33.84 32.30 3dww n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dww n TYR 89 N -1.23 0.20 0.15 3.52 9.36 0.12 -4.54 117.16 124.75 3dww n TYR 89 Ca 0.12 0.06 0.05 0.00 3.32 0.00 0.00 57.90 61.45 3dww n TYR 89 Cb 0.15 -0.73 0.06 0.00 -0.63 0.00 0.00 39.34 38.19 3dww n TYR 89 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3dww h SER 90 N 0.00 0.00 -2.58 2.98 4.64 0.28 -3.28 113.55 115.59 3dww h SER 90 Ca -0.15 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.40 3dww h SER 90 Cb 1.37 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.16 3dww h SER 90 CO 0.01 0.34 0.61 0.49 -0.87 0.00 0.00 176.83 177.41 3dww n PHE 91 N -3.14 2.68 -0.67 4.77 3.01 -0.92 -4.28 117.46 118.92 3dww n PHE 91 Ca 0.02 -2.85 0.00 0.00 1.01 0.00 0.00 57.45 55.63 3dww n PHE 91 Cb 0.68 -1.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.04 3dww n PHE 91 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3dww n LEU 92 N 0.72 0.00 -0.06 4.37 7.94 -1.24 -5.01 117.00 123.72 3dww n LEU 92 Ca 0.33 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 3dww n LEU 92 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 3dww n LEU 92 CO 0.60 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.49 3dww n GLY 93 N 0.00 0.66 0.00 -3.96 0.00 -1.26 -5.01 105.19 95.63 3dww n GLY 93 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3dww n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dww n PRO 94 N -0.06 0.28 -4.17 1.61 -0.05 -1.26 -5.07 135.00 126.28 3dww n PRO 94 Ca 0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 63.50 63.14 3dww n PRO 94 Cb 0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 33.50 33.40 3dww n PRO 94 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3dww s ASN 95 N -1.00 5.08 0.00 3.54 0.01 -1.26 -4.65 114.94 116.65 3dww s ASN 95 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.03 3dww s ASN 95 Cb 0.00 -1.25 0.00 0.00 0.41 0.00 0.00 41.25 40.41 3dww s ASN 95 CO 0.00 0.21 0.00 -0.81 -1.51 0.00 0.00 177.10 174.99 3dww n PRO 96 N 0.80 0.00 0.00 -0.60 -0.04 -1.26 -3.02 135.00 130.88 3dww n PRO 96 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3dww n PRO 96 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3dww n PRO 96 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dww n PHE 97 N 0.00 0.00 -0.39 0.54 3.01 -1.26 0.14 117.46 119.50 3dww n PHE 97 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 3dww n PHE 97 Cb 0.00 -0.39 -0.08 0.00 -0.01 0.00 0.00 39.48 39.00 3dww n PHE 97 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3dww n VAL 98 N -3.14 -0.62 0.22 -4.37 0.31 -1.26 -1.84 118.33 107.63 3dww n VAL 98 Ca 0.00 2.28 -0.15 0.00 -0.01 0.00 0.00 64.34 66.46 3dww n VAL 98 Cb 0.00 -2.84 -0.08 0.00 -0.91 0.00 0.00 33.84 30.01 3dww n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dww h ALA 99 N 0.58 -0.60 -0.96 3.52 0.00 0.14 -3.19 119.26 118.74 3dww h ALA 99 Ca 0.17 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.18 3dww h ALA 99 Cb 0.41 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 3dww h ALA 99 CO -0.90 -0.86 0.54 -1.49 0.00 0.00 0.00 179.25 176.55 3dww h TRP 100 N -0.61 0.94 0.00 0.00 4.06 -1.38 -0.32 115.95 118.64 3dww h TRP 100 Ca -0.03 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 3dww h TRP 100 Cb 0.52 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 3dww h TRP 100 CO -0.12 0.12 -0.05 0.52 -3.56 0.00 0.00 178.44 175.36 3dww h MET 101 N 0.62 0.00 -0.17 0.49 2.86 -1.38 -2.80 114.93 114.55 3dww h MET 101 Ca 0.58 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 58.01 3dww h MET 101 Cb 1.00 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.66 3dww h MET 101 CO -0.44 0.05 -0.73 0.45 1.06 0.00 0.00 176.91 177.31 3dww h HIS 102 N 0.00 1.01 0.00 -0.22 3.86 -1.12 0.19 115.15 118.87 3dww h HIS 102 Ca -0.00 -0.43 -0.04 0.00 -1.16 0.00 0.00 60.37 58.74 3dww h HIS 102 Cb 0.39 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 3dww h HIS 102 CO 0.00 1.25 -0.20 0.74 0.86 0.00 0.00 177.93 180.58 3dww h PHE 103 N 0.53 0.00 0.09 2.45 -1.00 -1.50 0.82 116.94 118.33 3dww h PHE 103 Ca -0.04 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.44 3dww h PHE 103 Cb 1.34 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.89 3dww h PHE 103 CO 0.08 0.20 -1.56 -0.07 -1.61 0.00 0.00 178.31 175.34 3dww h LEU 104 N 0.00 0.30 0.06 1.54 3.38 -1.40 -2.86 115.31 116.33 3dww h LEU 104 Ca -0.00 -0.45 -0.27 0.00 0.09 0.00 0.00 57.88 57.25 3dww h LEU 104 Cb 0.47 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dww h LEU 104 CO 0.03 1.38 -1.18 0.58 0.09 0.00 0.00 178.44 179.34 3dww h VAL 105 N 0.05 1.45 0.12 1.22 2.07 -0.33 -3.06 116.25 117.77 3dww h VAL 105 Ca -0.25 -2.85 -0.01 0.00 0.82 0.00 0.00 66.70 64.42 3dww h VAL 105 Cb 2.00 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 34.58 3dww h VAL 105 CO 0.14 0.84 -0.06 -0.26 0.02 0.00 0.00 177.57 178.25 3dww h PHE 106 N 0.13 -0.14 -0.95 1.57 -1.00 0.51 0.16 116.94 117.21 3dww h PHE 106 Ca -0.13 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.65 3dww h PHE 106 Cb 1.88 0.05 -0.05 0.00 3.61 0.00 0.00 35.95 41.44 3dww h PHE 106 CO 0.07 -0.09 0.61 -0.07 -1.61 0.00 0.00 178.31 177.22 3dww h LEU 107 N -0.93 1.12 0.12 1.54 3.38 -1.67 1.42 115.31 120.29 3dww h LEU 107 Ca -0.02 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.63 3dww h LEU 107 Cb 0.12 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3dww h LEU 107 CO 0.03 0.83 -1.34 0.58 0.09 0.00 0.00 178.44 178.62 3dww h VAL 108 N 1.30 1.38 -0.86 1.22 2.07 -1.69 -1.60 116.25 118.08 3dww h VAL 108 Ca 0.35 -2.98 -0.03 0.00 0.82 0.00 0.00 66.70 64.86 3dww h VAL 108 Cb -0.11 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 3dww h VAL 108 CO -0.07 0.86 0.42 1.23 0.02 0.00 0.00 177.57 180.03 3dww h GLY 109 N 1.65 1.32 0.51 2.17 0.00 -0.30 -3.00 103.07 105.42 3dww h GLY 109 Ca -0.17 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 3dww h GLY 109 CO 0.19 0.62 -0.33 -0.09 0.00 0.00 0.00 176.54 176.92 3dww h ARG 110 N 1.22 0.22 -0.46 4.80 9.65 0.19 -3.04 114.38 126.96 3dww h ARG 110 Ca 0.30 -0.24 -0.11 0.00 -1.10 0.00 0.00 59.98 58.83 3dww h ARG 110 Cb 0.11 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3dww h ARG 110 CO -0.04 0.97 -0.13 0.28 2.80 0.00 0.00 179.97 183.85 3dww h VAL 111 N -0.44 1.27 0.00 0.20 2.07 -1.29 2.60 116.25 120.66 3dww h VAL 111 Ca -0.04 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.17 3dww h VAL 111 Cb 1.09 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3dww h VAL 111 CO 0.07 0.43 -0.19 0.00 0.02 0.00 0.00 177.57 177.90 3dww h ALA 112 N 0.87 1.29 0.03 1.67 0.00 -1.73 0.42 119.26 121.81 3dww h ALA 112 Ca 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dww h ALA 112 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dww h ALA 112 CO 0.05 0.24 -0.01 1.25 0.00 0.00 0.00 179.25 180.77 3dww h HIS 113 N 0.00 -0.03 0.33 0.00 6.17 -0.24 -3.18 115.15 118.20 3dww h HIS 113 Ca -0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 3dww h HIS 113 Cb 0.46 0.01 0.00 0.00 2.52 0.00 0.00 27.41 30.40 3dww h HIS 113 CO 0.00 0.48 -0.16 1.15 0.71 0.00 0.00 177.93 180.11 3dww h THR 114 N -0.56 0.69 -0.56 6.26 2.02 0.46 -2.94 112.91 118.27 3dww h THR 114 Ca -0.00 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 3dww h THR 114 Cb 0.53 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3dww h THR 114 CO 0.01 0.07 0.09 0.58 0.37 0.00 0.00 175.52 176.65 3dww h VAL 115 N -0.65 1.24 -0.58 3.16 2.07 -0.35 -2.39 116.25 118.76 3dww h VAL 115 Ca -0.04 -0.92 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3dww h VAL 115 Cb 0.46 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3dww h VAL 115 CO 0.07 0.34 0.03 0.00 0.02 0.00 0.00 177.57 178.03 3dww h ALA 116 N 1.25 0.95 -0.00 1.67 0.00 -1.61 -2.86 119.26 118.66 3dww h ALA 116 Ca 0.18 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3dww h ALA 116 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dww h ALA 116 CO 0.01 0.64 -0.01 0.98 0.00 0.00 0.00 179.25 180.87 3dww n TYR 117 N -4.20 0.00 -0.13 0.00 4.19 -0.98 -3.75 117.16 112.30 3dww n TYR 117 Ca 0.03 0.00 -0.27 0.00 3.31 0.00 0.00 57.90 60.98 3dww n TYR 117 Cb 0.32 -0.07 -0.10 0.00 0.49 0.00 0.00 39.34 39.98 3dww n TYR 117 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 3dww n LEU 118 N -0.97 1.93 0.00 2.98 4.77 -0.94 -4.87 117.00 119.90 3dww n LEU 118 Ca 0.21 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3dww n LEU 118 Cb 0.17 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 3dww n LEU 118 CO 0.19 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3dww n GLY 119 N 1.32 -1.46 3.60 -0.72 0.00 -1.17 -4.66 105.19 102.10 3dww n GLY 119 Ca -0.46 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.04 3dww n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dww n LYS 120 N 0.00 1.28 0.17 1.61 5.02 -1.25 -4.81 118.16 120.18 3dww n LYS 120 Ca 0.00 0.46 0.02 0.00 -2.02 0.00 0.00 58.31 56.77 3dww n LYS 120 Cb 0.00 -2.12 0.31 0.00 -0.02 0.00 0.00 35.03 33.19 3dww n LYS 120 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dww h LEU 121 N 4.82 0.00 -9.42 -0.35 3.38 -1.88 -3.42 115.31 108.44 3dww h LEU 121 Ca -0.47 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.96 3dww h LEU 121 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3dww h LEU 121 CO 0.80 0.45 0.73 -0.13 0.09 0.00 0.00 178.44 180.37 3dww s ARG 122 N -3.84 4.34 0.40 1.13 0.52 -1.26 -4.94 118.95 115.29 3dww s ARG 122 Ca -0.02 1.90 0.09 0.00 -0.52 0.00 0.00 55.73 57.18 3dww s ARG 122 Cb 0.13 -3.46 0.83 0.00 0.52 0.00 0.00 34.95 32.97 3dww s ARG 122 CO 0.72 -0.45 1.96 0.00 0.02 0.00 0.00 175.30 177.55 3dww h ALA 123 N 7.34 1.58 -0.76 2.13 0.00 -1.95 -2.47 119.26 125.12 3dww h ALA 123 Ca -0.39 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.54 3dww h ALA 123 Cb 1.19 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3dww h ALA 123 CO 0.87 0.31 0.52 -1.00 0.00 0.00 0.00 179.25 179.95 3dww h PRO 124 N 0.29 0.31 -0.66 0.00 0.13 -1.99 0.50 132.00 130.59 3dww h PRO 124 Ca 0.07 -0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.35 3dww h PRO 124 Cb 0.25 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 3dww h PRO 124 CO 0.01 0.21 0.46 0.97 -0.23 0.00 0.00 178.00 179.42 3dww h ILE 125 N 0.32 0.72 0.00 -3.56 2.10 -1.82 0.49 117.51 115.76 3dww h ILE 125 Ca 0.38 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 66.28 3dww h ILE 125 Cb 1.00 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3dww h ILE 125 CO -0.10 0.02 0.00 -2.11 -1.08 0.00 0.00 178.15 174.88 3dww n ARG 126 N -4.39 0.29 0.00 2.19 -4.01 0.17 -3.82 116.66 107.10 3dww n ARG 126 Ca 0.13 0.00 -0.08 0.00 -1.04 0.00 0.00 57.85 56.86 3dww n ARG 126 Cb 0.65 -1.28 -0.05 0.00 -3.04 0.00 0.00 32.46 28.74 3dww n ARG 126 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 3dww h SER 127 N 0.00 -0.89 0.38 2.89 4.64 -0.15 -3.04 113.55 117.39 3dww h SER 127 Ca 0.00 0.10 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 3dww h SER 127 Cb 0.00 0.34 0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3dww h SER 127 CO 0.00 -0.26 -1.47 0.58 -0.87 0.00 0.00 176.83 174.82 3dww h VAL 128 N -0.31 1.27 0.00 0.95 2.07 -1.82 -3.30 116.25 115.11 3dww h VAL 128 Ca 0.01 -2.79 -0.21 0.00 0.82 0.00 0.00 66.70 64.54 3dww h VAL 128 Cb 0.36 2.93 -0.03 0.00 -1.52 0.00 0.00 31.29 33.03 3dww h VAL 128 CO -0.22 0.84 -1.11 0.71 0.02 0.00 0.00 177.57 177.81 3dww h THR 129 N 0.11 1.28 -0.24 2.57 1.35 -1.85 -3.26 112.91 112.87 3dww h THR 129 Ca -0.24 -2.94 0.07 0.00 -0.55 0.00 0.00 66.41 62.75 3dww h THR 129 Cb 2.09 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 71.11 3dww h THR 129 CO 0.23 0.73 0.19 0.10 -0.25 0.00 0.00 175.52 176.51 3dww h TYR 130 N 0.00 0.00 0.08 4.73 -0.00 -1.60 0.11 116.97 120.28 3dww h TYR 130 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 58.73 58.36 3dww h TYR 130 Cb 1.75 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 38.46 3dww h TYR 130 CO 0.00 0.00 -1.45 1.15 -0.00 0.00 0.00 178.16 177.86 3dww h THR 131 N 0.00 1.22 0.00 -0.90 2.02 -1.67 -2.82 112.91 110.76 3dww h THR 131 Ca 0.11 -2.91 -0.01 0.00 0.77 0.00 0.00 66.41 64.38 3dww h THR 131 Cb 0.49 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 3dww h THR 131 CO -0.00 0.80 -0.03 -0.07 0.37 0.00 0.00 175.52 176.59 3dww h LEU 132 N 0.05 0.00 0.01 2.58 3.38 -0.93 -1.27 115.31 119.13 3dww h LEU 132 Ca -0.20 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.56 3dww h LEU 132 Cb 1.97 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.73 3dww h LEU 132 CO 0.14 0.03 -0.81 0.00 0.09 0.00 0.00 178.44 177.89 3dww h ALA 133 N 1.97 0.08 -0.02 1.53 0.00 -1.00 -3.34 119.26 118.48 3dww h ALA 133 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3dww h ALA 133 Cb 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3dww h ALA 133 CO 0.00 0.50 -0.10 1.96 0.00 0.00 0.00 179.25 181.61 3dww h GLN 134 N 0.09 0.02 0.00 0.00 4.20 -1.11 -3.33 115.11 114.99 3dww h GLN 134 Ca -0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3dww h GLN 134 Cb 1.51 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.28 3dww h GLN 134 CO 0.16 0.13 -0.83 1.28 -0.67 0.00 0.00 178.83 178.90 3dww n LEU 135 N -4.41 0.63 -0.21 1.46 4.77 -0.55 -3.18 117.00 115.52 3dww n LEU 135 Ca -0.02 0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3dww n LEU 135 Cb 0.18 -0.14 0.66 0.00 -2.33 0.00 0.00 43.42 41.79 3dww n LEU 135 CO 0.36 0.05 0.92 -0.81 -1.33 0.00 0.00 177.39 176.57 3dww n PRO 136 N -1.88 1.11 0.16 3.23 -0.04 -1.25 -3.01 135.00 133.32 3dww n PRO 136 Ca 0.03 -0.43 0.09 0.00 -0.04 0.00 0.00 63.50 63.15 3dww n PRO 136 Cb 0.41 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 3dww n PRO 136 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dww h ALA 138 N 1.83 0.46 0.02 0.00 0.00 -1.63 -3.17 119.26 116.78 3dww h ALA 138 Ca -0.01 -0.81 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 3dww h ALA 138 Cb 1.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dww h ALA 138 CO 0.02 1.12 -0.26 0.66 0.00 0.00 0.00 179.25 180.78 3dww h SER 139 N 0.00 0.08 0.69 0.00 4.64 -1.43 -3.37 113.55 114.15 3dww h SER 139 Ca -0.01 -0.95 -0.03 0.00 -0.47 0.00 0.00 61.79 60.33 3dww h SER 139 Cb 1.64 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3dww h SER 139 CO 0.12 1.12 -0.35 0.24 -0.87 0.00 0.00 176.83 177.08 3dww h MET 140 N -0.89 -0.92 -0.75 4.77 2.86 -0.15 -3.25 114.93 116.60 3dww h MET 140 Ca -0.06 0.06 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 3dww h MET 140 Cb 1.14 0.21 -0.10 0.00 0.06 0.00 0.00 31.60 32.91 3dww h MET 140 CO 0.01 -0.61 0.25 0.00 1.06 0.00 0.00 176.91 177.61 3dww h ALA 141 N -1.51 1.03 -0.54 6.32 0.00 -1.77 -1.15 119.26 121.65 3dww h ALA 141 Ca -0.09 0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3dww h ALA 141 Cb 0.74 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3dww h ALA 141 CO 0.14 -0.28 -0.11 -0.07 0.00 0.00 0.00 179.25 178.93 3dww h LEU 142 N 0.36 1.03 -1.78 0.00 3.38 -1.73 -2.78 115.31 113.79 3dww h LEU 142 Ca 0.42 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3dww h LEU 142 Cb 0.69 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dww h LEU 142 CO -0.46 1.15 -0.15 1.56 0.09 0.00 0.00 178.44 180.63 3dww h GLN 143 N 0.91 0.00 0.45 1.13 4.20 -1.25 0.15 115.11 120.70 3dww h GLN 143 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3dww h GLN 143 Cb 0.68 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3dww h GLN 143 CO 0.05 0.15 -0.22 0.82 -0.67 0.00 0.00 178.83 178.96 3dww h ILE 144 N 0.00 0.00 -0.99 2.54 2.04 -1.43 -3.30 117.51 116.37 3dww h ILE 144 Ca -0.00 -0.06 0.22 0.00 1.00 0.00 0.00 64.86 66.02 3dww h ILE 144 Cb 0.29 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.26 3dww h ILE 144 CO 0.02 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 178.68 3dww h LEU 145 N -0.67 0.67 0.00 1.44 3.38 -0.44 0.12 115.31 119.81 3dww h LEU 145 Ca -0.06 0.13 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 3dww h LEU 145 Cb 0.46 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3dww h LEU 145 CO 0.10 0.15 -0.86 -0.50 0.09 0.00 0.00 178.44 177.42 3dww h TRP 146 N 0.62 0.00 0.09 1.13 4.06 -1.55 -2.97 115.95 117.32 3dww h TRP 146 Ca 0.61 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.56 3dww h TRP 146 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 3dww h TRP 146 CO -0.02 0.81 -0.04 1.49 -3.56 0.00 0.00 178.44 177.12 3dww h GLU 147 N 0.00 -0.11 -0.94 0.49 4.81 -0.87 -1.99 114.58 115.98 3dww h GLU 147 Ca -0.02 0.01 0.28 0.00 -0.13 0.00 0.00 59.36 59.50 3dww h GLU 147 Cb 1.64 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.88 3dww h GLU 147 CO 0.10 -0.07 0.23 0.00 -0.73 0.00 0.00 179.01 178.54 3dww h ALA 148 N -1.62 1.41 0.00 2.92 0.00 -1.49 2.22 119.26 122.71 3dww h ALA 148 Ca -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dww h ALA 148 Cb 0.09 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dww h ALA 148 CO 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 179.25 178.57 3dww h ALA 149 N 1.89 1.29 0.05 0.00 0.00 -1.63 -2.55 119.26 118.30 3dww h ALA 149 Ca 0.62 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 55.20 3dww h ALA 149 Cb 1.36 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3dww h ALA 149 CO -0.76 0.14 -1.06 -0.09 0.00 0.00 0.00 179.25 177.47 3dww h ARG 150 N 0.00 0.13 0.00 0.00 2.43 0.43 -3.29 114.38 114.08 3dww h ARG 150 Ca -0.00 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 3dww h ARG 150 Cb 0.32 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3dww h ARG 150 CO 0.01 1.07 -0.35 0.45 -1.51 0.00 0.00 179.97 179.64 3dww h HIS 151 N 0.04 0.00 0.00 2.20 3.86 -0.23 -3.51 115.15 117.52 3dww h HIS 151 Ca -0.06 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3dww h HIS 151 Cb 1.79 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.26 3dww h HIS 151 CO 0.03 0.35 0.00 1.28 0.86 0.00 0.00 177.93 180.45