#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jww s THR 2 N 0.00 0.67 0.02 2.52 -4.23 -1.26 -4.58 115.64 108.78 1jww s THR 2 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1jww s THR 2 Cb 0.00 -2.46 -0.02 0.00 1.34 0.00 0.00 72.50 71.36 1jww s THR 2 CO 0.00 0.00 -0.03 -0.70 -0.54 0.00 0.00 174.62 173.35 1jww s GLU 3 N -3.77 0.30 -0.04 3.99 2.12 0.11 -4.90 118.70 116.51 1jww s GLU 3 Ca 0.28 -0.50 -0.17 0.00 0.36 0.00 0.00 54.97 54.94 1jww s GLU 3 Cb 0.04 0.00 -0.05 0.00 0.26 0.00 0.00 34.13 34.38 1jww s GLU 3 CO 0.15 -0.02 0.47 0.15 -0.54 0.00 0.00 175.26 175.47 1jww s LYS 4 N -1.15 4.15 0.00 4.30 -0.14 -1.26 -0.43 119.74 125.20 1jww s LYS 4 Ca -0.11 0.49 0.01 0.00 -1.36 0.00 0.00 55.97 54.99 1jww s LYS 4 Cb -0.08 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.75 1jww s LYS 4 CO -0.01 0.45 -0.02 0.00 -0.76 0.00 0.00 175.35 175.01 1jww s ALA 5 N -0.36 0.19 0.13 5.17 0.00 0.30 -4.49 121.76 122.70 1jww s ALA 5 Ca 0.26 -0.13 0.10 0.00 0.00 0.00 0.00 51.96 52.19 1jww s ALA 5 Cb -0.17 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1jww s ALA 5 CO 0.13 0.03 -0.24 -1.21 0.00 0.00 0.00 175.76 174.48 1jww s GLU 6 N -0.14 1.29 -0.03 0.00 2.02 -1.24 -0.75 118.70 119.84 1jww s GLU 6 Ca -0.00 -1.29 -0.02 0.00 0.02 0.00 0.00 54.97 53.68 1jww s GLU 6 Cb -0.01 -1.66 0.02 0.00 0.10 0.00 0.00 34.13 32.57 1jww s GLU 6 CO -0.00 0.39 0.08 -0.06 0.02 0.00 0.00 175.26 175.68 1jww s PHE 7 N -1.19 -0.08 -0.09 1.61 0.40 0.12 -0.39 117.98 118.35 1jww s PHE 7 Ca 0.11 0.24 -0.13 0.00 -0.60 0.00 0.00 56.93 56.55 1jww s PHE 7 Cb -0.10 -0.04 -0.05 0.00 0.51 0.00 0.00 43.02 43.35 1jww s PHE 7 CO 0.06 -0.07 0.30 0.34 0.70 0.00 0.00 175.22 176.55 1jww s ASP 8 N 0.42 6.56 -0.29 1.36 -1.08 0.10 -0.72 116.67 123.04 1jww s ASP 8 Ca -0.03 0.67 -0.08 0.00 -0.52 0.00 0.00 52.55 52.59 1jww s ASP 8 Cb -0.05 -2.18 -0.00 0.00 -1.46 0.00 0.00 42.92 39.23 1jww s ASP 8 CO -0.02 0.24 0.10 -0.63 0.52 0.00 0.00 175.17 175.38 1jww s ILE 9 N -0.40 4.22 -0.59 4.11 -1.09 -1.18 -2.49 121.20 123.77 1jww s ILE 9 Ca 0.19 -0.49 -0.14 0.00 -2.23 0.00 0.00 60.65 57.98 1jww s ILE 9 Cb -0.14 -3.12 0.15 0.00 -1.58 0.00 0.00 42.46 37.77 1jww s ILE 9 CO 0.07 0.14 0.52 -1.61 -1.23 0.00 0.00 174.94 172.83 1jww s GLU 10 N 1.56 2.99 0.00 2.79 2.02 -0.26 -4.86 118.70 122.93 1jww s GLU 10 Ca 0.04 -1.91 0.00 0.00 0.02 0.00 0.00 54.97 53.12 1jww s GLU 10 Cb -0.17 -4.22 0.00 0.00 0.10 0.00 0.00 34.13 29.84 1jww s GLU 10 CO 0.04 -1.29 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1jww n GLY 11 N 4.84 -0.19 3.80 -1.39 0.00 -1.26 -1.18 105.19 109.80 1jww n GLY 11 Ca -0.06 0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1jww n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jww s MET 12 N 0.00 4.45 -0.41 1.61 -1.94 -1.26 -5.02 119.30 116.73 1jww s MET 12 Ca 0.00 1.25 0.07 0.00 -1.71 0.00 0.00 55.69 55.30 1jww s MET 12 Cb 0.00 -2.57 0.24 0.00 2.01 0.00 0.00 34.83 34.51 1jww s MET 12 CO 0.00 0.17 0.59 -2.37 -0.01 0.00 0.00 175.02 173.40 1jww n THR 13 N 0.12 -0.56 -3.63 2.05 5.66 -1.26 -4.96 114.28 111.71 1jww n THR 13 Ca 0.04 -3.42 -0.14 0.00 -3.05 0.00 0.00 64.05 57.48 1jww n THR 13 Cb 0.52 -1.18 -0.07 0.00 -1.55 0.00 0.00 70.33 68.05 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww h ALA 15 N 4.89 0.76 -0.68 0.00 0.00 -1.99 0.77 119.26 123.00 1jww h ALA 15 Ca -0.29 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1jww h ALA 15 Cb 1.16 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1jww h ALA 15 CO 0.08 -0.05 0.45 0.00 0.00 0.00 0.00 179.25 179.73 1jww h ALA 16 N 1.32 0.87 -0.01 0.00 0.00 -1.98 0.64 119.26 120.11 1jww h ALA 16 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jww h ALA 16 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jww h ALA 16 CO -0.18 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 1jww h ALA 18 N 0.37 0.20 -0.53 0.00 0.00 -0.80 0.88 119.26 119.38 1jww h ALA 18 Ca -0.00 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.27 1jww h ALA 18 Cb 0.68 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1jww h ALA 18 CO 0.01 -0.55 0.42 -0.97 0.00 0.00 0.00 179.25 178.16 1jww h ASN 19 N -0.09 0.00 0.08 0.00 -1.24 -0.77 0.07 115.58 113.63 1jww h ASN 19 Ca 0.28 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 57.09 1jww h ASN 19 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1jww h ASN 19 CO -0.68 0.00 -0.72 -0.09 -1.29 0.00 0.00 177.43 174.65 1jww h ARG 20 N 0.00 0.57 0.04 6.67 1.12 -0.63 -2.60 114.38 119.56 1jww h ARG 20 Ca 0.25 -0.45 0.02 0.00 -1.11 0.00 0.00 59.98 58.70 1jww h ARG 20 Cb 1.09 0.09 -0.05 0.00 -0.01 0.00 0.00 29.97 31.08 1jww h ARG 20 CO -0.00 1.07 -0.46 0.82 -3.11 0.00 0.00 179.97 178.30 1jww h ILE 21 N 0.39 0.10 -0.96 1.20 1.08 -0.75 -0.88 117.51 117.70 1jww h ILE 21 Ca -0.03 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.72 1jww h ILE 21 Cb 1.32 0.10 -0.14 0.00 -3.07 0.00 0.00 36.82 35.03 1jww h ILE 21 CO 0.14 0.00 0.47 -0.33 -0.69 0.00 0.00 178.15 177.74 1jww h GLU 22 N -0.64 0.33 0.26 2.37 5.08 -1.20 0.25 114.58 121.04 1jww h GLU 22 Ca 0.03 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1jww h GLU 22 Cb 0.69 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1jww h GLU 22 CO -0.30 0.22 -0.13 -0.22 -1.00 0.00 0.00 179.01 177.58 1jww h LYS 23 N 0.34 -0.34 -0.90 2.33 3.64 -1.04 0.27 116.57 120.86 1jww h LYS 23 Ca 0.66 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 60.06 1jww h LYS 23 Cb 1.41 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 1jww h LYS 23 CO -0.59 0.01 0.53 0.00 -2.27 0.00 0.00 179.45 177.13 1jww h ARG 24 N -0.82 1.23 -0.26 1.90 3.08 0.18 -1.49 114.38 118.20 1jww h ARG 24 Ca -0.04 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 1jww h ARG 24 Cb 0.51 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1jww h ARG 24 CO 0.06 0.87 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.34 1jww h LEU 25 N 1.24 0.82 -1.92 3.04 3.38 -0.61 -2.53 115.31 118.73 1jww h LEU 25 Ca 0.32 -0.52 0.16 0.00 0.09 0.00 0.00 57.88 57.93 1jww h LEU 25 Cb -0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1jww h LEU 25 CO -0.06 1.18 0.41 0.78 0.09 0.00 0.00 178.44 180.84 1jww h ASN 26 N 0.48 0.07 -0.24 -0.43 4.21 -0.16 0.30 115.58 119.82 1jww h ASN 26 Ca 0.02 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.56 1jww h ASN 26 Cb 1.01 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 1jww h ASN 26 CO 0.10 0.04 0.16 0.50 -1.29 0.00 0.00 177.43 176.93 1jww h LYS 27 N 0.08 0.22 -6.35 0.81 3.64 -0.82 -3.43 116.57 110.72 1jww h LYS 27 Ca 0.28 -0.01 -0.56 0.00 -1.27 0.00 0.00 60.65 59.08 1jww h LYS 27 Cb 1.00 -0.05 0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1jww h LYS 27 CO -0.02 0.14 1.15 -0.89 -2.27 0.00 0.00 179.45 177.56 1jww n ILE 28 N -4.50 0.62 -0.15 2.00 2.08 0.09 -4.89 119.36 114.60 1jww n ILE 28 Ca 0.01 -0.11 -0.05 0.00 0.56 0.00 0.00 62.75 63.16 1jww n ILE 28 Cb 0.15 -2.10 0.04 0.00 -0.75 0.00 0.00 39.64 36.99 1jww n ILE 28 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1jww h GLU 29 N 9.62 0.45 -1.21 0.38 3.07 -1.87 -2.72 114.58 122.30 1jww h GLU 29 Ca -0.49 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.23 1jww h GLU 29 Cb 1.25 -0.10 -0.06 0.00 -0.84 0.00 0.00 28.75 29.00 1jww h GLU 29 CO 0.94 0.29 0.14 0.41 -1.40 0.00 0.00 179.01 179.40 1jww n GLY 30 N -1.24 2.67 3.92 -3.84 0.00 -1.26 -4.88 105.19 100.56 1jww n GLY 30 Ca 0.04 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1jww n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jww s VAL 31 N -0.73 5.35 -0.07 1.61 0.11 -1.03 -0.12 120.40 125.53 1jww s VAL 31 Ca 0.12 -0.38 -0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1jww s VAL 31 Cb 0.10 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 31.26 1jww s VAL 31 CO 0.02 0.09 -0.20 0.00 -3.33 0.00 0.00 175.10 171.68 1jww n ALA 32 N 0.14 1.83 -2.71 1.54 0.00 0.54 -4.93 120.51 116.92 1jww n ALA 32 Ca -0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 1jww n ALA 32 Cb 0.52 0.14 -0.11 0.00 0.00 0.00 0.00 19.45 20.00 1jww n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1jww s ASN 33 N -5.99 0.37 -0.41 0.00 0.01 -0.91 -5.01 114.94 103.01 1jww s ASN 33 Ca -0.17 -0.65 0.10 0.00 -0.71 0.00 0.00 52.86 51.43 1jww s ASN 33 Cb 0.03 0.12 0.32 0.00 0.41 0.00 0.00 41.25 42.13 1jww s ASN 33 CO 0.24 -0.38 0.70 0.00 -1.51 0.00 0.00 177.10 176.16 1jww n ALA 34 N 1.15 2.47 -2.10 0.60 0.00 -1.26 -0.45 120.51 120.91 1jww n ALA 34 Ca -0.21 -3.59 -0.38 0.00 0.00 0.00 0.00 53.44 49.25 1jww n ALA 34 Cb 0.57 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1jww n ALA 34 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jww n PRO 35 N 0.52 2.44 -1.85 0.00 -0.04 -0.99 -4.69 135.00 130.40 1jww n PRO 35 Ca 0.25 -2.74 -0.41 0.00 -0.04 0.00 0.00 63.50 60.55 1jww n PRO 35 Cb 0.59 -3.46 -0.02 0.00 -0.04 0.00 0.00 33.50 30.57 1jww n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jww s VAL 36 N 6.22 2.24 -0.74 0.52 1.01 -1.26 -3.97 120.40 124.43 1jww s VAL 36 Ca 0.58 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 1jww s VAL 36 Cb 0.06 -3.13 0.14 0.00 0.00 0.00 0.00 36.38 33.45 1jww s VAL 36 CO 0.08 0.03 0.83 0.20 0.00 0.00 0.00 175.10 176.23 1jww s ASN 37 N 0.38 6.45 0.00 3.32 0.01 0.13 -4.94 114.94 120.29 1jww s ASN 37 Ca 0.61 -1.92 -0.04 0.00 -0.71 0.00 0.00 52.86 50.80 1jww s ASN 37 Cb -0.46 -2.30 -0.20 0.00 0.41 0.00 0.00 41.25 38.70 1jww s ASN 37 CO 0.48 -0.96 2.83 2.22 -1.51 0.00 0.00 177.10 180.16 1jww n PHE 38 N 5.76 0.00 0.00 2.20 1.16 -1.26 -2.74 117.46 122.58 1jww n PHE 38 Ca 0.05 -1.13 0.00 0.00 -1.87 0.00 0.00 57.45 54.50 1jww n PHE 38 Cb 0.45 -1.27 0.00 0.00 -1.61 0.00 0.00 39.48 37.05 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1jww n ALA 39 N 2.56 0.00 0.72 1.98 0.00 -1.26 -4.45 120.51 120.06 1jww n ALA 39 Ca 0.31 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.88 1jww n ALA 39 Cb 0.69 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.47 1jww n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jww n LEU 40 N -0.49 0.60 -1.42 0.00 4.77 -1.11 -4.95 117.00 114.40 1jww n LEU 40 Ca 0.00 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 1jww n LEU 40 Cb 0.00 -0.28 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1jww n LEU 40 CO 0.00 -0.06 0.07 -0.62 -1.33 0.00 0.00 177.39 175.45 1jww n GLU 41 N -1.97 -2.31 -3.78 3.23 1.02 -1.14 -5.04 120.64 110.64 1jww n GLU 41 Ca 0.05 0.24 -0.15 0.00 -0.02 0.00 0.00 57.16 57.28 1jww n GLU 41 Cb 0.41 -3.49 -0.16 0.00 -0.02 0.00 0.00 31.44 28.18 1jww n GLU 41 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1jww s THR 42 N -3.09 -0.05 0.10 2.62 -4.23 -1.25 -3.12 115.64 106.61 1jww s THR 42 Ca 0.16 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 60.74 1jww s THR 42 Cb -0.07 -0.08 -0.06 0.00 1.34 0.00 0.00 72.50 73.63 1jww s THR 42 CO 0.21 0.08 0.48 -0.69 -0.54 0.00 0.00 174.62 174.16 1jww s VAL 43 N 0.96 4.96 -0.08 2.29 1.01 0.11 -0.69 120.40 128.96 1jww s VAL 43 Ca -0.08 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1jww s VAL 43 Cb -0.12 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.58 1jww s VAL 43 CO -0.03 0.32 -0.06 -0.89 0.00 0.00 0.00 175.10 174.44 1jww s THR 44 N -1.37 0.81 0.04 3.92 2.01 -1.25 -0.70 115.64 119.09 1jww s THR 44 Ca 0.34 -0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.20 1jww s THR 44 Cb -0.15 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1jww s THR 44 CO 0.18 0.31 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.55 1jww s VAL 45 N 1.38 1.49 -0.38 3.82 1.01 0.07 -2.35 120.40 125.45 1jww s VAL 45 Ca -0.02 -1.14 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1jww s VAL 45 Cb -0.14 -1.31 0.09 0.00 0.00 0.00 0.00 36.38 35.02 1jww s VAL 45 CO -0.03 0.14 0.15 -0.70 0.00 0.00 0.00 175.10 174.66 1jww s GLU 46 N -1.17 2.18 0.09 2.72 2.12 0.40 -0.53 118.70 124.50 1jww s GLU 46 Ca 0.06 -1.62 0.01 0.00 0.36 0.00 0.00 54.97 53.78 1jww s GLU 46 Cb -0.08 -3.49 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1jww s GLU 46 CO 0.02 -0.93 -0.06 1.52 -0.54 0.00 0.00 175.26 175.27 1jww s TYR 47 N 1.20 0.81 -0.20 5.30 -0.85 0.42 -0.34 117.35 123.71 1jww s TYR 47 Ca 0.04 -0.92 -0.15 0.00 -0.52 0.00 0.00 57.07 55.51 1jww s TYR 47 Cb -0.22 -0.49 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 1jww s TYR 47 CO -0.03 -0.19 0.38 0.54 -1.52 0.00 0.00 175.55 174.73 1jww s ASN 48 N -2.95 6.42 -1.12 -0.18 2.20 0.83 0.05 114.94 120.19 1jww s ASN 48 Ca 0.10 0.50 -0.14 0.00 -0.94 0.00 0.00 52.86 52.38 1jww s ASN 48 Cb 0.05 -2.22 -0.07 0.00 -2.00 0.00 0.00 41.25 37.01 1jww s ASN 48 CO -0.05 -0.05 2.22 -0.81 -2.94 0.00 0.00 177.10 175.47 1jww n PRO 49 N 4.36 2.35 0.00 3.55 -0.04 -1.26 -2.60 135.00 141.36 1jww n PRO 49 Ca -0.09 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1jww n PRO 49 Cb 0.51 -2.86 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 1jww n PRO 49 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1jww n LYS 50 N 5.46 0.00 -0.06 0.54 2.85 -1.26 -4.95 118.16 120.73 1jww n LYS 50 Ca 0.54 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.68 1jww n LYS 50 Cb 0.30 -0.04 -0.04 0.00 -0.65 0.00 0.00 35.03 34.60 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jww n GLU 51 N -2.51 0.38 -2.32 -1.58 0.00 -1.22 -5.01 120.64 108.38 1jww n GLU 51 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 57.16 56.91 1jww n GLU 51 Cb 0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 31.44 30.28 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jww s ALA 52 N -2.53 3.45 0.02 4.31 0.00 -1.07 -4.77 121.76 121.16 1jww s ALA 52 Ca -0.22 1.05 0.04 0.00 0.00 0.00 0.00 51.96 52.82 1jww s ALA 52 Cb 0.05 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1jww s ALA 52 CO 0.31 -0.37 -0.13 -1.54 0.00 0.00 0.00 175.76 174.04 1jww s SER 53 N -0.62 1.50 0.30 0.00 1.04 -1.26 -4.24 113.70 110.41 1jww s SER 53 Ca 0.47 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.59 1jww s SER 53 Cb -0.35 -0.12 0.78 0.00 0.10 0.00 0.00 66.02 66.43 1jww s SER 53 CO 0.45 0.07 1.65 -0.37 0.98 0.00 0.00 173.24 176.02 1jww h VAL 54 N 4.65 0.31 -0.72 5.02 -1.51 -1.98 -1.51 116.25 120.51 1jww h VAL 54 Ca -0.36 -0.08 0.04 0.00 -1.23 0.00 0.00 66.70 65.07 1jww h VAL 54 Cb 1.18 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.35 1jww h VAL 54 CO 0.46 0.04 0.45 0.28 -1.23 0.00 0.00 177.57 177.57 1jww h SER 55 N 0.24 0.72 0.28 4.19 0.02 -1.99 -2.03 113.55 114.98 1jww h SER 55 Ca 0.59 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 1jww h SER 55 Cb 1.22 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1jww h SER 55 CO -0.64 0.49 -0.13 -0.78 -1.14 0.00 0.00 176.83 174.62 1jww h ASP 56 N 0.86 -0.31 -0.32 3.07 1.82 -1.70 -0.73 116.42 119.11 1jww h ASP 56 Ca 0.30 -0.09 -0.08 0.00 -0.39 0.00 0.00 57.03 56.77 1jww h ASP 56 Cb 0.06 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 1jww h ASP 56 CO -0.13 -0.09 -0.06 0.17 -1.61 0.00 0.00 179.24 177.52 1jww h LEU 57 N -0.52 0.69 -0.54 2.28 8.10 -1.56 0.29 115.31 124.05 1jww h LEU 57 Ca -0.04 -0.18 0.05 0.00 0.11 0.00 0.00 57.88 57.82 1jww h LEU 57 Cb 0.39 -0.18 -0.06 0.00 -0.44 0.00 0.00 40.66 40.36 1jww h LEU 57 CO 0.06 0.80 -0.32 1.17 -4.11 0.00 0.00 178.44 176.04 1jww n LYS 58 N -4.20 -0.24 -0.35 0.17 3.00 -0.77 -1.22 118.16 114.56 1jww n LYS 58 Ca 0.02 1.27 0.12 0.00 -0.00 0.00 0.00 58.31 59.71 1jww n LYS 58 Cb 0.32 -1.88 0.31 0.00 0.00 0.00 0.00 35.03 33.78 1jww n LYS 58 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jww h GLU 59 N 0.00 0.79 0.49 1.64 4.22 0.56 0.13 114.58 122.41 1jww h GLU 59 Ca 0.09 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.46 1jww h GLU 59 Cb 0.22 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1jww h GLU 59 CO -0.51 0.53 -0.25 0.00 -2.18 0.00 0.00 179.01 176.60 1jww h ALA 60 N 1.61 -0.67 -0.66 2.92 0.00 0.37 0.16 119.26 123.00 1jww h ALA 60 Ca 0.55 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1jww h ALA 60 Cb 0.79 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1jww h ALA 60 CO -0.34 -0.88 0.31 0.28 0.00 0.00 0.00 179.25 178.62 1jww h VAL 61 N -0.68 1.22 -0.13 0.00 2.07 -0.79 -2.65 116.25 115.29 1jww h VAL 61 Ca -0.06 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1jww h VAL 61 Cb 0.53 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1jww h VAL 61 CO 0.10 0.26 -0.11 -0.78 0.02 0.00 0.00 177.57 177.06 1jww h ASP 62 N 0.91 -0.36 -0.99 0.57 1.82 -0.06 -1.13 116.42 117.18 1jww h ASP 62 Ca 0.22 0.07 0.08 0.00 -0.39 0.00 0.00 57.03 57.02 1jww h ASP 62 Cb 0.13 0.18 -0.07 0.00 0.68 0.00 0.00 39.33 40.25 1jww h ASP 62 CO -0.03 -0.15 0.64 0.50 -1.61 0.00 0.00 179.24 178.59 1jww h LYS 63 N -0.13 1.07 -0.08 0.28 1.63 -0.68 0.10 116.57 118.76 1jww h LYS 63 Ca 0.09 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1jww h LYS 63 Cb 0.26 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1jww h LYS 63 CO -0.21 0.71 0.18 -0.07 -3.45 0.00 0.00 179.45 176.61 1jww h LEU 64 N 1.11 0.00 0.00 5.20 -0.00 -0.83 -3.46 115.31 117.33 1jww h LEU 64 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 1jww h LEU 64 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1jww h LEU 64 CO -0.19 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.86 1jww n GLY 65 N -1.26 1.32 3.15 0.83 0.00 0.35 -5.10 105.19 104.48 1jww n GLY 65 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1jww n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jww s TYR 66 N -2.00 0.36 0.01 1.61 1.13 -1.23 -4.93 117.35 112.30 1jww s TYR 66 Ca 0.00 -0.84 0.04 0.00 -1.41 0.00 0.00 57.07 54.85 1jww s TYR 66 Cb 0.00 -0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 1jww s TYR 66 CO 0.00 -0.47 -0.08 0.21 -2.51 0.00 0.00 175.55 172.70 1jww s LYS 67 N -3.90 2.48 0.10 -3.49 2.36 -0.33 -3.01 119.74 113.96 1jww s LYS 67 Ca 0.07 -0.77 0.10 0.00 -2.55 0.00 0.00 55.97 52.82 1jww s LYS 67 Cb 0.06 -2.46 -0.04 0.00 -1.05 0.00 0.00 37.83 34.35 1jww s LYS 67 CO -0.10 0.59 -0.25 -1.17 1.55 0.00 0.00 175.35 175.97 1jww s LEU 68 N -1.46 2.27 -0.12 5.43 2.96 -1.26 -1.10 118.68 125.39 1jww s LEU 68 Ca 0.17 -0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 1jww s LEU 68 Cb -0.11 -1.15 0.03 0.00 0.50 0.00 0.00 46.19 45.46 1jww s LEU 68 CO 0.08 0.17 0.32 -0.54 -1.32 0.00 0.00 176.35 175.06 1jww s LYS 69 N -1.77 0.37 0.68 1.98 -0.14 -1.04 -4.90 119.74 114.92 1jww s LYS 69 Ca 0.11 0.46 -0.13 0.00 -1.36 0.00 0.00 55.97 55.06 1jww s LYS 69 Cb -0.10 0.17 0.01 0.00 -1.68 0.00 0.00 37.83 36.23 1jww s LYS 69 CO 0.04 -0.05 1.08 -1.17 -0.76 0.00 0.00 175.35 174.49 1jww s LEU 70 N 0.23 3.26 0.05 3.17 0.20 -1.26 0.03 118.68 124.36 1jww s LEU 70 Ca -0.00 1.82 0.00 0.00 0.69 0.00 0.00 54.13 56.63 1jww s LEU 70 Cb -0.03 -4.53 0.00 0.00 -0.43 0.00 0.00 46.19 41.21 1jww s LEU 70 CO -0.00 -1.58 0.00 1.17 -0.29 0.00 0.00 176.35 175.65 1jww n LYS 71 N -2.77 0.00 0.00 1.98 4.81 0.47 -4.77 118.16 117.88 1jww n LYS 71 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1jww n LYS 71 Cb 0.53 -0.23 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1jww n LYS 71 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jww n GLY 72 N 3.41 -1.94 3.62 3.14 0.00 -1.23 -5.01 105.19 107.18 1jww n GLY 72 Ca 0.00 0.55 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 1jww n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1jww s GLU 73 N -0.60 0.44 0.47 1.61 -1.05 -1.26 -3.67 118.70 114.64 1jww s GLU 73 Ca 0.00 -0.23 -0.16 0.00 -0.15 0.00 0.00 54.97 54.43 1jww s GLU 73 Cb 0.00 0.16 -0.08 0.00 -0.44 0.00 0.00 34.13 33.77 1jww s GLU 73 CO 0.00 -0.20 0.93 1.14 0.95 0.00 0.00 175.26 178.08 1jww s GLN 74 N -2.50 3.99 2.75 -4.83 -2.07 -1.26 -4.51 119.66 111.22 1jww s GLN 74 Ca 0.13 0.90 0.00 0.00 -1.82 0.00 0.00 55.36 54.56 1jww s GLN 74 Cb 0.03 -2.20 0.00 0.00 -1.09 0.00 0.00 33.01 29.74 1jww s GLN 74 CO -0.04 -0.16 0.00 -3.47 -1.32 0.00 0.00 175.29 170.31 1jww n ASP 75 N -1.26 -1.61 -2.96 12.60 -0.08 -1.26 -4.69 116.55 117.29 1jww n ASP 75 Ca 0.06 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.20 1jww n ASP 75 Cb 0.54 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.99 1jww n ASP 75 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1jww n SER 76 N -1.81 -1.87 0.00 1.67 2.88 -1.26 -5.13 113.62 108.10 1jww n SER 76 Ca 0.00 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 1jww n SER 76 Cb 0.00 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1jww n SER 76 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1jww n ILE 77 N 2.00 0.00 0.09 2.46 -5.35 -1.26 -5.12 119.36 112.19 1jww n ILE 77 Ca 0.17 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 1jww n ILE 77 Cb 0.57 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 1jww n ILE 77 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1jww n GLU 78 N 0.00 0.00 0.00 6.28 4.07 -1.26 -5.17 120.64 124.56 1jww n GLU 78 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1jww n GLU 78 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1jww n GLY 79 N -0.16 2.18 0.00 8.31 0.00 -1.26 -5.30 105.19 108.96 1jww n GLY 79 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19