#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 1.68 -0.02 2.52 -4.23 -1.26 -4.60 115.64 109.72 1jww s THR 2 Ca 0.00 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.36 1jww s THR 2 Cb 0.00 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1jww s THR 2 CO 0.00 -0.44 -0.06 -1.61 -0.54 0.00 0.00 174.62 171.98 1jww s GLU 3 N -3.69 0.62 -0.34 3.99 2.02 0.64 -4.89 118.70 117.04 1jww s GLU 3 Ca 0.26 -0.19 -0.11 0.00 0.02 0.00 0.00 54.97 54.95 1jww s GLU 3 Cb 0.02 -0.61 0.00 0.00 0.10 0.00 0.00 34.13 33.63 1jww s GLU 3 CO 0.10 0.07 0.20 0.21 0.02 0.00 0.00 175.26 175.85 1jww s LYS 4 N 0.21 3.21 0.11 1.61 2.20 -1.26 -0.95 119.74 124.87 1jww s LYS 4 Ca -0.02 -0.82 0.09 0.00 -0.36 0.00 0.00 55.97 54.85 1jww s LYS 4 Cb -0.07 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1jww s LYS 4 CO -0.00 -0.53 -0.17 0.00 -0.36 0.00 0.00 175.35 174.30 1jww s ALA 5 N 1.63 2.73 0.07 3.13 0.00 0.46 -3.25 121.76 126.54 1jww s ALA 5 Ca 0.04 -1.33 0.08 0.00 0.00 0.00 0.00 51.96 50.75 1jww s ALA 5 Cb -0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1jww s ALA 5 CO 0.08 0.60 -0.21 -1.21 0.00 0.00 0.00 175.76 175.02 1jww s GLU 6 N -2.15 1.32 -0.01 0.00 2.02 -1.25 -0.98 118.70 117.64 1jww s GLU 6 Ca 0.19 -1.05 -0.01 0.00 0.02 0.00 0.00 54.97 54.12 1jww s GLU 6 Cb -0.11 -1.51 0.01 0.00 0.10 0.00 0.00 34.13 32.62 1jww s GLU 6 CO 0.11 0.37 0.03 -0.06 0.02 0.00 0.00 175.26 175.73 1jww s PHE 7 N -0.94 -0.02 -0.06 1.61 0.40 -0.03 -0.25 117.98 118.69 1jww s PHE 7 Ca 0.08 0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.31 1jww s PHE 7 Cb -0.09 -0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.34 1jww s PHE 7 CO 0.03 -0.03 0.50 -0.51 0.70 0.00 0.00 175.22 175.90 1jww s ASP 8 N 0.27 6.80 -0.10 1.36 1.01 0.11 -1.02 116.67 125.09 1jww s ASP 8 Ca -0.02 0.95 0.01 0.00 0.71 0.00 0.00 52.55 54.20 1jww s ASP 8 Cb -0.03 -2.30 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 1jww s ASP 8 CO -0.01 0.10 -0.12 -0.63 0.21 0.00 0.00 175.17 174.73 1jww s ILE 9 N 0.01 3.23 -0.29 0.77 -1.09 -1.19 -2.63 121.20 120.00 1jww s ILE 9 Ca 0.27 -0.63 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1jww s ILE 9 Cb -0.16 -2.33 0.09 0.00 -1.58 0.00 0.00 42.46 38.47 1jww s ILE 9 CO 0.13 0.55 0.04 -1.61 -1.23 0.00 0.00 174.94 172.82 1jww s GLU 10 N -0.14 1.19 0.00 2.79 2.02 -1.18 -4.87 118.70 118.51 1jww s GLU 10 Ca -0.00 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1jww s GLU 10 Cb -0.13 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.58 1jww s GLU 10 CO 0.03 -0.84 0.00 0.41 0.02 0.00 0.00 175.26 174.88 1jww n GLY 11 N 4.64 1.01 4.02 -1.39 0.00 -1.26 -3.51 105.19 108.70 1jww n GLY 11 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 1jww n GLY 11 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1jww s MET 12 N -0.00 2.25 0.00 1.61 0.23 -1.26 -4.60 119.30 117.53 1jww s MET 12 Ca 0.00 -1.45 0.07 0.00 -1.03 0.00 0.00 55.69 53.27 1jww s MET 12 Cb 0.00 -2.59 -0.03 0.00 -1.53 0.00 0.00 34.83 30.67 1jww s MET 12 CO 0.00 -0.90 0.41 0.25 -2.03 0.00 0.00 175.02 172.75 1jww n THR 13 N -2.32 0.00 -3.63 3.16 -2.24 -1.26 -5.03 114.28 102.96 1jww n THR 13 Ca 0.14 -0.39 -0.23 0.00 -2.27 0.00 0.00 64.05 61.31 1jww n THR 13 Cb 0.61 1.04 0.06 0.00 -2.10 0.00 0.00 70.33 69.95 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jww n ALA 15 N -4.57 0.00 0.10 0.00 0.00 -1.26 -4.54 120.51 110.24 1jww n ALA 15 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 1jww n ALA 15 Cb 0.61 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 1jww n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jww h ALA 16 N 2.00 0.05 0.46 0.00 0.00 -1.98 0.76 119.26 120.55 1jww h ALA 16 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1jww h ALA 16 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jww h ALA 16 CO 0.00 0.77 -0.24 0.00 0.00 0.00 0.00 179.25 179.78 1jww h ALA 18 N -0.10 0.36 -0.80 0.00 0.00 -1.91 -0.59 119.26 116.22 1jww h ALA 18 Ca -0.06 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1jww h ALA 18 Cb 0.50 0.46 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1jww h ALA 18 CO 0.09 -0.44 0.52 -0.97 0.00 0.00 0.00 179.25 178.44 1jww h ASN 19 N -0.01 0.87 -0.52 0.00 -0.00 -0.46 -2.38 115.58 113.08 1jww h ASN 19 Ca 0.28 -0.01 0.06 0.00 -0.00 0.00 0.00 56.30 56.62 1jww h ASN 19 Cb 0.43 -0.20 -0.05 0.00 -0.00 0.00 0.00 38.32 38.50 1jww h ASN 19 CO -0.60 0.61 0.23 -0.09 -0.00 0.00 0.00 177.43 177.58 1jww h ARG 20 N 1.02 0.44 -0.77 6.67 9.65 0.98 -1.73 114.38 130.63 1jww h ARG 20 Ca 0.31 -0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.30 1jww h ARG 20 Cb -0.03 -0.10 -0.14 0.00 -1.39 0.00 0.00 29.97 28.31 1jww h ARG 20 CO -0.10 0.29 -0.29 0.82 2.80 0.00 0.00 179.97 183.49 1jww h ILE 21 N 0.45 0.14 -0.64 1.20 2.04 -0.72 0.81 117.51 120.78 1jww h ILE 21 Ca 0.24 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.23 1jww h ILE 21 Cb 0.20 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 36.30 1jww h ILE 21 CO -0.20 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.54 1jww h GLU 22 N -0.06 0.05 -0.08 2.37 5.08 -1.27 0.36 114.58 121.03 1jww h GLU 22 Ca 0.32 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1jww h GLU 22 Cb 0.58 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1jww h GLU 22 CO -0.81 0.03 -0.11 0.87 -1.00 0.00 0.00 179.01 177.99 1jww h LYS 23 N 0.05 0.21 -0.72 2.33 6.56 -1.24 0.31 116.57 124.08 1jww h LYS 23 Ca 0.32 -0.12 0.14 0.00 -1.06 0.00 0.00 60.65 59.93 1jww h LYS 23 Cb 0.52 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.15 1jww h LYS 23 CO -0.61 0.68 0.48 0.00 -2.06 0.00 0.00 179.45 177.95 1jww h ARG 24 N -0.24 0.37 0.05 3.15 2.47 0.24 -0.85 114.38 119.57 1jww h ARG 24 Ca 0.01 -0.02 -0.31 0.00 -1.26 0.00 0.00 59.98 58.39 1jww h ARG 24 Cb 0.66 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 1jww h ARG 24 CO 0.03 0.24 -1.74 -0.07 0.56 0.00 0.00 179.97 178.99 1jww h LEU 25 N 0.38 0.17 -2.28 3.04 3.38 -0.29 -3.33 115.31 116.39 1jww h LEU 25 Ca 0.35 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jww h LEU 25 Cb 0.82 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1jww h LEU 25 CO -0.10 1.31 -0.00 -1.13 0.09 0.00 0.00 178.44 178.60 1jww h ASN 26 N 0.03 0.00 -0.79 -0.43 -1.24 0.48 0.10 115.58 113.73 1jww h ASN 26 Ca -0.31 0.00 0.16 0.00 0.71 0.00 0.00 56.30 56.87 1jww h ASN 26 Cb 2.01 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 41.01 1jww h ASN 26 CO 0.10 0.00 0.53 0.11 -1.29 0.00 0.00 177.43 176.88 1jww h LYS 27 N 0.00 0.39 -6.49 6.67 1.79 -1.30 -3.43 116.57 114.21 1jww h LYS 27 Ca -0.00 -0.02 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 1jww h LYS 27 Cb 0.00 -0.09 0.05 0.00 -1.58 0.00 0.00 32.23 30.62 1jww h LYS 27 CO 0.00 0.26 0.91 -0.89 -1.08 0.00 0.00 179.45 178.65 1jww n ILE 28 N -4.48 0.13 0.31 1.86 2.08 0.35 -4.92 119.36 114.70 1jww n ILE 28 Ca 0.16 -0.02 -0.16 0.00 0.56 0.00 0.00 62.75 63.28 1jww n ILE 28 Cb 0.58 -1.72 -0.08 0.00 -0.75 0.00 0.00 39.64 37.67 1jww n ILE 28 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1jww h GLU 29 N 6.85 -0.75 -1.99 0.38 4.57 -1.87 -3.23 114.58 118.53 1jww h GLU 29 Ca -0.45 0.05 -0.44 0.00 -1.18 0.00 0.00 59.36 57.34 1jww h GLU 29 Cb 1.25 0.17 -0.15 0.00 -0.16 0.00 0.00 28.75 29.85 1jww h GLU 29 CO 0.91 -0.44 0.24 0.41 -1.18 0.00 0.00 179.01 178.94 1jww n GLY 30 N -0.92 4.07 3.75 1.92 0.00 -1.26 -4.89 105.19 107.87 1jww n GLY 30 Ca -0.12 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.61 4.51 -0.23 1.61 0.11 -1.22 -0.43 120.40 123.14 1jww s VAL 31 Ca 0.60 -0.54 -0.13 0.00 -2.93 0.00 0.00 61.98 58.98 1jww s VAL 31 Cb 0.37 -3.07 -0.10 0.00 -1.53 0.00 0.00 36.38 32.06 1jww s VAL 31 CO -0.18 0.32 -0.32 0.00 -3.33 0.00 0.00 175.10 171.59 1jww n ALA 32 N 1.11 1.33 -3.53 1.54 0.00 0.50 -4.96 120.51 116.51 1jww n ALA 32 Ca -0.13 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.21 1jww n ALA 32 Cb 0.52 0.15 -0.06 0.00 0.00 0.00 0.00 19.45 20.07 1jww n ALA 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jww s ASN 33 N -6.95 -0.66 -0.40 0.00 2.20 -0.88 -5.01 114.94 103.24 1jww s ASN 33 Ca -0.33 0.76 0.11 0.00 -0.94 0.00 0.00 52.86 52.46 1jww s ASN 33 Cb 0.11 0.59 0.36 0.00 -2.00 0.00 0.00 41.25 40.31 1jww s ASN 33 CO 0.43 -0.58 0.79 0.00 -2.94 0.00 0.00 177.10 174.79 1jww n ALA 34 N 1.02 2.60 -1.97 3.54 0.00 -1.26 -0.48 120.51 123.96 1jww n ALA 34 Ca -0.18 -3.62 -0.41 0.00 0.00 0.00 0.00 53.44 49.23 1jww n ALA 34 Cb 0.57 -0.89 -0.02 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 0.16 2.57 -1.15 0.00 -0.04 -1.19 -4.57 135.00 130.78 1jww n PRO 35 Ca 0.25 -2.69 -0.32 0.00 -0.04 0.00 0.00 63.50 60.70 1jww n PRO 35 Cb 0.62 -3.36 0.11 0.00 -0.04 0.00 0.00 33.50 30.83 1jww n PRO 35 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1jww s VAL 36 N 4.96 2.70 -0.25 0.52 -7.23 -1.25 -4.41 120.40 115.44 1jww s VAL 36 Ca 0.54 0.26 -0.14 0.00 -1.81 0.00 0.00 61.98 60.83 1jww s VAL 36 Cb 0.09 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1jww s VAL 36 CO 0.03 -0.27 0.34 0.20 -0.31 0.00 0.00 175.10 175.09 1jww s ASN 37 N -2.82 6.25 -0.69 4.85 0.01 -0.26 -4.92 114.94 117.36 1jww s ASN 37 Ca 0.66 0.29 -0.03 0.00 -0.71 0.00 0.00 52.86 53.07 1jww s ASN 37 Cb -0.21 -2.19 0.23 0.00 0.41 0.00 0.00 41.25 39.48 1jww s ASN 37 CO 0.53 -0.12 2.33 2.22 -1.51 0.00 0.00 177.10 180.56 1jww n PHE 38 N 5.00 2.41 0.00 2.20 1.16 -1.26 -4.05 117.46 122.92 1jww n PHE 38 Ca -0.10 -2.17 0.00 0.00 -1.87 0.00 0.00 57.45 53.31 1jww n PHE 38 Cb 0.51 -1.27 0.00 0.00 -1.61 0.00 0.00 39.48 37.11 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 0.05 0.00 0.87 1.98 0.00 -1.26 -4.61 120.51 117.55 1jww n ALA 39 Ca 0.52 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.09 1jww n ALA 39 Cb 0.36 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.85 0.32 -1.47 0.00 4.77 -1.26 -4.92 117.00 113.60 1jww n LEU 40 Ca 0.00 0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1jww n LEU 40 Cb 0.00 -0.40 0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1jww n LEU 40 CO 0.00 -0.04 0.02 -0.62 -1.33 0.00 0.00 177.39 175.42 1jww n GLU 41 N -1.74 -2.29 -3.86 3.23 1.02 -1.26 -5.03 120.64 110.72 1jww n GLU 41 Ca 0.06 0.37 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1jww n GLU 41 Cb 0.37 -4.09 -0.16 0.00 -0.02 0.00 0.00 31.44 27.54 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 -2.86 0.06 0.20 2.62 -4.23 -1.26 -3.20 115.64 106.97 1jww s THR 42 Ca 0.15 0.13 -0.10 0.00 -1.18 0.00 0.00 61.69 60.70 1jww s THR 42 Cb -0.07 -0.16 -0.07 0.00 1.34 0.00 0.00 72.50 73.54 1jww s THR 42 CO 0.18 0.11 0.52 -0.69 -0.54 0.00 0.00 174.62 174.20 1jww s VAL 43 N 0.93 4.96 -0.05 2.29 1.01 -0.19 -1.10 120.40 128.25 1jww s VAL 43 Ca -0.08 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.35 1jww s VAL 43 Cb -0.12 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1jww s VAL 43 CO -0.02 -0.00 0.01 -0.89 0.00 0.00 0.00 175.10 174.20 1jww s THR 44 N -1.73 0.22 -0.01 3.92 2.01 -1.26 -0.85 115.64 117.94 1jww s THR 44 Ca 0.45 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.61 1jww s THR 44 Cb -0.12 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1jww s THR 44 CO 0.21 0.20 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.60 1jww s VAL 45 N 1.58 0.41 -0.36 3.82 1.01 -0.16 -3.14 120.40 123.56 1jww s VAL 45 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.65 1jww s VAL 45 Cb -0.13 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.90 1jww s VAL 45 CO -0.03 0.13 0.23 -0.70 0.00 0.00 0.00 175.10 174.73 1jww s GLU 46 N 0.04 3.16 0.17 2.72 2.12 0.37 -0.40 118.70 126.88 1jww s GLU 46 Ca -0.00 -0.87 -0.08 0.00 0.36 0.00 0.00 54.97 54.38 1jww s GLU 46 Cb -0.04 -3.79 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1jww s GLU 46 CO -0.00 -0.58 0.28 1.52 -0.54 0.00 0.00 175.26 175.93 1jww s TYR 47 N 1.65 0.47 -0.18 5.30 1.13 -0.13 -0.37 117.35 125.22 1jww s TYR 47 Ca 0.04 -0.82 -0.14 0.00 -1.41 0.00 0.00 57.07 54.74 1jww s TYR 47 Cb -0.18 -0.09 -0.04 0.00 -1.10 0.00 0.00 41.96 40.54 1jww s TYR 47 CO 0.09 -0.73 0.32 0.54 -2.51 0.00 0.00 175.55 173.26 1jww s ASN 48 N -2.99 6.42 -1.26 -0.18 2.20 0.42 -0.26 114.94 119.30 1jww s ASN 48 Ca 0.19 0.49 -0.09 0.00 -0.94 0.00 0.00 52.86 52.51 1jww s ASN 48 Cb 0.03 -2.20 -0.07 0.00 -2.00 0.00 0.00 41.25 37.02 1jww s ASN 48 CO 0.02 0.04 2.47 -0.81 -2.94 0.00 0.00 177.10 175.88 1jww n PRO 49 N 3.92 2.80 0.00 3.55 -0.04 -1.26 -3.65 135.00 140.32 1jww n PRO 49 Ca -0.11 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1jww n PRO 49 Cb 0.52 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.28 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 4.29 0.00 -0.01 0.54 -0.00 -1.26 -4.91 118.16 116.81 1jww n LYS 50 Ca 0.60 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.74 1jww n LYS 50 Cb 0.21 -0.26 -0.14 0.00 -0.00 0.00 0.00 35.03 34.85 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jww n GLU 51 N -1.95 0.72 -3.31 -1.58 4.07 -1.24 -5.01 120.64 112.33 1jww n GLU 51 Ca 0.00 0.27 -0.12 0.00 -0.06 0.00 0.00 57.16 57.25 1jww n GLU 51 Cb 0.00 -1.73 -0.04 0.00 -0.06 0.00 0.00 31.44 29.60 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jww n ALA 52 N -2.85 0.39 -2.79 4.31 0.00 -1.25 -4.86 120.51 113.46 1jww n ALA 52 Ca -0.27 -1.14 -0.12 0.00 0.00 0.00 0.00 53.44 51.91 1jww n ALA 52 Cb 1.05 0.88 -0.06 0.00 0.00 0.00 0.00 19.45 21.32 1jww n ALA 52 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jww s SER 53 N -2.37 0.29 0.25 0.00 1.04 -1.26 -4.32 113.70 107.33 1jww s SER 53 Ca 0.20 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.36 1jww s SER 53 Cb 0.01 0.55 0.50 0.00 0.10 0.00 0.00 66.02 67.18 1jww s SER 53 CO 0.14 -1.09 1.68 0.58 0.98 0.00 0.00 173.24 175.53 1jww h VAL 54 N 2.32 0.49 -0.70 5.02 2.07 -1.99 -0.86 116.25 122.59 1jww h VAL 54 Ca -0.29 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1jww h VAL 54 Cb 1.25 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1jww h VAL 54 CO 0.41 0.05 0.43 0.28 0.02 0.00 0.00 177.57 178.77 1jww h SER 55 N 0.28 0.83 0.72 0.57 0.02 -1.98 0.14 113.55 114.13 1jww h SER 55 Ca 0.44 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1jww h SER 55 Cb 0.77 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 63.11 1jww h SER 55 CO -0.53 0.63 -0.35 -0.78 -1.14 0.00 0.00 176.83 174.67 1jww h ASP 56 N 0.96 -0.82 -0.79 3.07 1.82 -1.59 -2.03 116.42 117.04 1jww h ASP 56 Ca 0.25 0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.87 1jww h ASP 56 Cb -0.06 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.13 1jww h ASP 56 CO -0.05 -0.45 0.29 0.17 -1.61 0.00 0.00 179.24 177.60 1jww h LEU 57 N -1.25 1.10 -0.96 2.28 8.10 -1.21 0.20 115.31 123.58 1jww h LEU 57 Ca -0.10 -0.19 0.10 0.00 0.11 0.00 0.00 57.88 57.80 1jww h LEU 57 Cb 0.74 -0.29 -0.12 0.00 -0.44 0.00 0.00 40.66 40.55 1jww h LEU 57 CO 0.16 0.99 -0.54 1.17 -4.11 0.00 0.00 178.44 176.12 1jww n LYS 58 N -4.27 -0.39 -0.34 0.17 4.81 0.49 -1.26 118.16 117.37 1jww n LYS 58 Ca 0.07 1.45 0.22 0.00 -0.87 0.00 0.00 58.31 59.18 1jww n LYS 58 Cb 0.20 -2.14 0.48 0.00 0.02 0.00 0.00 35.03 33.59 1jww n LYS 58 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jww h GLU 59 N 0.00 0.41 -0.06 1.64 4.81 0.17 0.30 114.58 121.85 1jww h GLU 59 Ca 0.18 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1jww h GLU 59 Cb 0.42 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1jww h GLU 59 CO -0.91 0.27 0.01 0.00 -0.73 0.00 0.00 179.01 177.65 1jww h ALA 60 N 1.67 0.06 -0.21 2.92 0.00 -0.96 0.20 119.26 122.94 1jww h ALA 60 Ca 0.64 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.51 1jww h ALA 60 Cb 1.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1jww h ALA 60 CO -0.39 -0.47 -0.10 0.28 0.00 0.00 0.00 179.25 178.57 1jww h VAL 61 N 0.03 1.31 -0.86 0.00 2.07 -0.73 -1.14 116.25 116.92 1jww h VAL 61 Ca 0.03 -1.16 0.22 0.00 0.82 0.00 0.00 66.70 66.60 1jww h VAL 61 Cb 0.02 1.63 -0.14 0.00 -1.52 0.00 0.00 31.29 31.28 1jww h VAL 61 CO -0.04 0.35 0.23 -0.78 0.02 0.00 0.00 177.57 177.35 1jww h ASP 62 N 0.14 0.01 0.64 0.57 1.82 -0.20 -0.06 116.42 119.33 1jww h ASP 62 Ca 0.05 0.19 -0.27 0.00 -0.39 0.00 0.00 57.03 56.60 1jww h ASP 62 Cb 0.59 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.85 1jww h ASP 62 CO 0.03 -0.13 -1.27 0.50 -1.61 0.00 0.00 179.24 176.77 1jww h LYS 63 N 0.23 0.25 -0.80 0.28 3.64 -0.53 -3.14 116.57 116.50 1jww h LYS 63 Ca 0.53 -0.42 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 1jww h LYS 63 Cb 1.04 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 1jww h LYS 63 CO -0.63 1.19 0.37 -0.07 -2.27 0.00 0.00 179.45 178.04 1jww h LEU 64 N 0.07 0.41 0.00 5.20 3.38 0.26 -3.47 115.31 121.17 1jww h LEU 64 Ca -0.14 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jww h LEU 64 Cb 1.96 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1jww h LEU 64 CO 0.19 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1jww n GLY 65 N -1.32 2.19 3.96 0.83 0.00 -0.55 -5.10 105.19 105.20 1jww n GLY 65 Ca 0.16 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.46 0.25 1.61 1.13 -1.23 -4.96 117.35 117.62 1jww s TYR 66 Ca 0.00 0.03 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 1jww s TYR 66 Cb 0.00 -1.61 -0.04 0.00 -1.10 0.00 0.00 41.96 39.21 1jww s TYR 66 CO 0.00 0.43 0.47 0.21 -2.51 0.00 0.00 175.55 174.15 1jww s LYS 67 N -3.87 3.56 0.10 -3.49 2.20 -1.23 -3.02 119.74 113.99 1jww s LYS 67 Ca 0.34 -0.21 0.08 0.00 -0.36 0.00 0.00 55.97 55.83 1jww s LYS 67 Cb -0.09 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1jww s LYS 67 CO 0.29 0.30 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.20 1jww s LEU 68 N -3.51 2.30 0.07 5.43 2.96 -1.26 -3.12 118.68 121.53 1jww s LEU 68 Ca 0.41 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 1jww s LEU 68 Cb -0.11 -0.90 0.01 0.00 0.50 0.00 0.00 46.19 45.70 1jww s LEU 68 CO 0.30 0.07 0.27 -0.54 -1.32 0.00 0.00 176.35 175.13 1jww s LYS 69 N -1.89 0.84 0.80 1.98 -0.14 -1.08 -4.95 119.74 115.30 1jww s LYS 69 Ca 0.07 -0.67 -0.11 0.00 -1.36 0.00 0.00 55.97 53.90 1jww s LYS 69 Cb -0.10 0.35 0.08 0.00 -1.68 0.00 0.00 37.83 36.48 1jww s LYS 69 CO 0.04 -0.27 1.12 -1.17 -0.76 0.00 0.00 175.35 174.31 1jww s LEU 70 N -2.37 3.05 -0.03 3.17 2.96 -1.26 0.06 118.68 124.26 1jww s LEU 70 Ca -0.01 2.02 -0.05 0.00 -0.22 0.00 0.00 54.13 55.86 1jww s LEU 70 Cb 0.01 -4.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.13 1jww s LEU 70 CO -0.07 -2.35 -0.11 1.17 -1.32 0.00 0.00 176.35 173.67 1jww n LYS 71 N -3.53 0.18 0.00 1.98 4.81 0.65 -4.55 118.16 117.70 1jww n LYS 71 Ca 0.11 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1jww n LYS 71 Cb 0.52 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.77 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 2.70 -2.32 3.79 3.14 0.00 -1.17 -5.03 105.19 106.30 1jww n GLY 72 Ca -0.09 0.78 -0.02 0.00 0.00 0.00 0.00 46.02 46.69 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 0.00 1.09 -0.26 1.61 -1.05 -1.26 -3.84 118.70 114.99 1jww s GLU 73 Ca 0.00 -0.65 -0.29 0.00 -0.15 0.00 0.00 54.97 53.88 1jww s GLU 73 Cb 0.00 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 33.97 1jww s GLU 73 CO 0.00 -0.51 2.24 0.00 0.95 0.00 0.00 175.26 177.94 1jww n GLN 74 N -0.57 1.78 -2.65 -4.83 -0.00 -1.20 -4.40 117.38 105.51 1jww n GLN 74 Ca -0.05 0.46 -0.42 0.00 -0.00 0.00 0.00 57.00 56.99 1jww n GLN 74 Cb 0.60 -3.16 -0.03 0.00 -0.00 0.00 0.00 30.24 27.65 1jww n GLN 74 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1jww s ASP 75 N 8.53 6.31 0.18 2.61 -1.08 -1.26 -4.93 116.67 127.03 1jww s ASP 75 Ca 1.02 -1.02 -0.16 0.00 -0.52 0.00 0.00 52.55 51.87 1jww s ASP 75 Cb -0.39 -2.52 0.03 0.00 -1.46 0.00 0.00 42.92 38.58 1jww s ASP 75 CO 0.36 -1.59 0.48 -0.55 0.52 0.00 0.00 175.17 174.39 1jww s SER 76 N 4.10 -0.23 -0.44 -0.34 0.15 -1.26 -5.13 113.70 110.55 1jww s SER 76 Ca 0.36 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.56 1jww s SER 76 Cb -0.07 0.54 0.13 0.00 -1.71 0.00 0.00 66.02 64.92 1jww s SER 76 CO 0.04 -0.99 0.22 0.27 1.20 0.00 0.00 173.24 173.98 1jww s ILE 77 N -3.87 1.56 -0.03 6.45 -4.36 -1.26 -5.10 121.20 114.59 1jww s ILE 77 Ca 0.08 -2.57 0.07 0.00 -0.26 0.00 0.00 60.65 57.98 1jww s ILE 77 Cb 0.00 -2.10 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1jww s ILE 77 CO -0.05 -0.86 -0.24 -1.61 0.24 0.00 0.00 174.94 172.43 1jww s GLU 78 N 0.37 2.06 0.04 0.37 2.02 -1.26 -5.12 118.70 117.19 1jww s GLU 78 Ca 0.17 -0.86 -0.10 0.00 0.02 0.00 0.00 54.97 54.20 1jww s GLU 78 Cb -0.24 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.10 1jww s GLU 78 CO -0.02 0.48 0.46 0.41 0.02 0.00 0.00 175.26 176.62 1jww n GLY 79 N 2.61 0.80 0.96 -1.39 0.00 -1.26 -5.31 105.19 101.60 1jww n GLY 79 Ca -0.16 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.00 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19