#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 1.19 -0.03 2.52 -4.23 -1.26 -4.51 115.64 109.32 1jww s THR 2 Ca 0.00 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 58.92 1jww s THR 2 Cb 0.00 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 1jww s THR 2 CO 0.00 -0.45 -0.24 -1.61 -0.54 0.00 0.00 174.62 171.78 1jww s GLU 3 N -2.63 2.21 -0.79 3.99 2.02 0.47 -4.89 118.70 119.07 1jww s GLU 3 Ca 0.07 -0.90 -0.09 0.00 0.02 0.00 0.00 54.97 54.07 1jww s GLU 3 Cb -0.05 -2.10 0.20 0.00 0.10 0.00 0.00 34.13 32.29 1jww s GLU 3 CO 0.02 0.55 0.69 0.15 0.02 0.00 0.00 175.26 176.69 1jww s LYS 4 N -0.58 3.29 0.12 1.61 1.02 -1.26 -2.00 119.74 121.93 1jww s LYS 4 Ca 0.09 -2.60 0.03 0.00 0.02 0.00 0.00 55.97 53.51 1jww s LYS 4 Cb -0.10 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 32.99 1jww s LYS 4 CO -0.00 -1.25 0.13 0.00 -0.92 0.00 0.00 175.35 173.31 1jww s ALA 5 N -0.13 3.64 0.10 5.17 0.00 0.44 -1.21 121.76 129.77 1jww s ALA 5 Ca 0.19 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.16 1jww s ALA 5 Cb -0.13 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1jww s ALA 5 CO -0.07 0.64 -0.23 -1.21 0.00 0.00 0.00 175.76 174.89 1jww s GLU 6 N -2.75 1.27 0.01 0.00 2.02 -1.26 -0.57 118.70 117.41 1jww s GLU 6 Ca 0.31 -1.17 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1jww s GLU 6 Cb -0.11 -1.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 1jww s GLU 6 CO 0.24 0.37 -0.02 -0.06 0.02 0.00 0.00 175.26 175.81 1jww s PHE 7 N -1.06 0.20 -0.10 1.61 0.40 0.41 -0.20 117.98 119.25 1jww s PHE 7 Ca 0.09 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.26 1jww s PHE 7 Cb -0.10 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.27 1jww s PHE 7 CO 0.04 -0.04 -0.04 -0.51 0.70 0.00 0.00 175.22 175.38 1jww s ASP 8 N -0.37 4.89 -0.19 1.36 1.11 0.90 -0.76 116.67 123.60 1jww s ASP 8 Ca -0.03 0.01 -0.04 0.00 0.18 0.00 0.00 52.55 52.67 1jww s ASP 8 Cb -0.03 -1.43 -0.02 0.00 1.07 0.00 0.00 42.92 42.51 1jww s ASP 8 CO -0.00 0.32 -0.03 -0.63 1.18 0.00 0.00 175.17 176.00 1jww s ILE 9 N -0.53 3.67 -0.34 0.77 -1.09 -1.16 -2.62 121.20 119.90 1jww s ILE 9 Ca 0.08 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.11 1jww s ILE 9 Cb -0.12 -2.64 0.09 0.00 -1.58 0.00 0.00 42.46 38.21 1jww s ILE 9 CO 0.02 0.45 0.06 -1.61 -1.23 0.00 0.00 174.94 172.63 1jww s GLU 10 N 0.95 1.84 0.00 2.79 2.02 -0.74 -4.90 118.70 120.66 1jww s GLU 10 Ca 0.00 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.28 1jww s GLU 10 Cb -0.15 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.83 1jww s GLU 10 CO 0.01 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 174.82 1jww n GLY 11 N 4.41 -1.28 3.80 -1.39 0.00 -1.26 -1.08 105.19 108.38 1jww n GLY 11 Ca -0.02 0.44 -0.22 0.00 0.00 0.00 0.00 46.02 46.21 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 2.78 -0.42 1.61 0.23 -1.26 -5.09 119.30 117.14 1jww s MET 12 Ca 0.00 -1.16 0.05 0.00 -1.03 0.00 0.00 55.69 53.55 1jww s MET 12 Cb 0.00 -2.48 0.17 0.00 -1.53 0.00 0.00 34.83 30.99 1jww s MET 12 CO 0.00 0.34 0.53 -0.08 -2.03 0.00 0.00 175.02 173.77 1jww s THR 13 N -2.20 -0.58 -0.17 3.16 -1.32 -1.26 -5.00 115.64 108.27 1jww s THR 13 Ca 0.34 -0.97 -0.15 0.00 -1.21 0.00 0.00 61.69 59.71 1jww s THR 13 Cb -0.07 -0.41 0.05 0.00 -1.51 0.00 0.00 72.50 70.56 1jww s THR 13 CO 0.24 -0.38 0.45 0.00 -2.21 0.00 0.00 174.62 172.72 1jww h ALA 15 N 5.73 -0.06 0.04 0.00 0.00 -1.98 0.18 119.26 123.16 1jww h ALA 15 Ca -0.29 0.12 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 1jww h ALA 15 Cb 1.18 0.63 0.02 0.00 0.00 0.00 0.00 17.79 19.62 1jww h ALA 15 CO 0.23 -0.66 -1.04 0.00 0.00 0.00 0.00 179.25 177.79 1jww h ALA 16 N 0.92 0.07 0.22 0.00 0.00 -1.98 0.26 119.26 118.75 1jww h ALA 16 Ca 0.19 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1jww h ALA 16 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jww h ALA 16 CO -0.53 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.24 1jww h ALA 18 N 0.38 1.62 -0.85 0.00 0.00 -0.61 -0.75 119.26 119.05 1jww h ALA 18 Ca -0.03 0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.17 1jww h ALA 18 Cb 0.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jww h ALA 18 CO 0.05 0.04 0.60 -0.97 0.00 0.00 0.00 179.25 178.98 1jww h ASN 19 N 0.84 0.10 -0.68 0.00 -0.00 0.18 0.22 115.58 116.25 1jww h ASN 19 Ca 0.55 0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.83 1jww h ASN 19 Cb 0.76 -0.01 -0.03 0.00 -0.00 0.00 0.00 38.32 39.04 1jww h ASN 19 CO -0.34 0.04 0.30 -0.09 -0.00 0.00 0.00 177.43 177.33 1jww h ARG 20 N 0.10 1.01 -0.90 6.67 9.65 -1.06 -2.37 114.38 127.49 1jww h ARG 20 Ca 0.42 -0.16 0.14 0.00 -1.10 0.00 0.00 59.98 59.28 1jww h ARG 20 Cb 1.50 -0.18 -0.15 0.00 -1.39 0.00 0.00 29.97 29.75 1jww h ARG 20 CO -0.05 0.81 -0.37 0.82 2.80 0.00 0.00 179.97 183.98 1jww h ILE 21 N 1.00 0.04 -0.51 1.20 1.08 -0.66 0.13 117.51 119.79 1jww h ILE 21 Ca 0.24 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.81 1jww h ILE 21 Cb 0.16 0.04 -0.10 0.00 -3.07 0.00 0.00 36.82 33.85 1jww h ILE 21 CO -0.02 0.00 -0.14 -0.33 -0.69 0.00 0.00 178.15 176.96 1jww h GLU 22 N -0.04 -0.02 -0.15 2.37 5.08 -1.49 0.28 114.58 120.61 1jww h GLU 22 Ca 0.32 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 1jww h GLU 22 Cb 0.59 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jww h GLU 22 CO -0.91 -0.01 -0.14 0.87 -1.00 0.00 0.00 179.01 177.82 1jww h LYS 23 N -0.02 0.36 -0.56 2.33 6.56 -1.38 0.21 116.57 124.08 1jww h LYS 23 Ca 0.24 -0.19 0.12 0.00 -1.06 0.00 0.00 60.65 59.77 1jww h LYS 23 Cb 0.39 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 1jww h LYS 23 CO -0.53 0.73 0.38 0.00 -2.06 0.00 0.00 179.45 177.97 1jww h ARG 24 N 0.00 0.24 0.15 3.15 2.47 0.15 -0.10 114.38 120.44 1jww h ARG 24 Ca 0.03 -0.01 -0.29 0.00 -1.26 0.00 0.00 59.98 58.44 1jww h ARG 24 Cb 0.66 -0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.93 1jww h ARG 24 CO 0.03 0.16 -1.45 -0.07 0.56 0.00 0.00 179.97 179.20 1jww h LEU 25 N 0.25 0.48 -2.56 3.04 3.38 -0.38 -3.35 115.31 116.17 1jww h LEU 25 Ca 0.26 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1jww h LEU 25 Cb 0.71 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1jww h LEU 25 CO -0.05 1.65 0.00 0.78 0.09 0.00 0.00 178.44 180.91 1jww h ASN 26 N -0.17 0.00 -0.95 -0.43 4.21 0.18 0.24 115.58 118.66 1jww h ASN 26 Ca -0.30 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.39 1jww h ASN 26 Cb 1.86 0.00 -0.10 0.00 -1.12 0.00 0.00 38.32 38.96 1jww h ASN 26 CO 0.11 0.00 0.54 0.11 -1.29 0.00 0.00 177.43 176.90 1jww h LYS 27 N 0.00 0.67 -6.47 0.81 1.79 -1.17 -3.42 116.57 108.78 1jww h LYS 27 Ca 0.00 -0.04 -0.60 0.00 -2.18 0.00 0.00 60.65 57.83 1jww h LYS 27 Cb 0.01 -0.15 0.05 0.00 -1.58 0.00 0.00 32.23 30.57 1jww h LYS 27 CO 0.00 0.44 0.78 -0.89 -1.08 0.00 0.00 179.45 178.70 1jww n ILE 28 N -4.83 0.03 -0.07 1.86 5.41 0.84 -4.91 119.36 117.70 1jww n ILE 28 Ca 0.21 -0.01 -0.12 0.00 1.00 0.00 0.00 62.75 63.84 1jww n ILE 28 Cb 0.54 -1.47 -0.05 0.00 -0.71 0.00 0.00 39.64 37.95 1jww n ILE 28 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1jww h GLU 29 N 5.94 0.40 -1.90 0.38 3.07 -1.87 -3.24 114.58 117.36 1jww h GLU 29 Ca -0.45 -0.14 -0.18 0.00 -0.50 0.00 0.00 59.36 58.09 1jww h GLU 29 Cb 1.26 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 29.08 1jww h GLU 29 CO 0.88 0.62 0.02 0.41 -1.40 0.00 0.00 179.01 179.55 1jww n GLY 30 N -0.21 3.18 3.83 -3.84 0.00 -1.26 -4.86 105.19 102.03 1jww n GLY 30 Ca -0.04 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.45 4.78 0.07 1.61 0.11 -1.23 -0.36 120.40 124.93 1jww s VAL 31 Ca 0.32 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 1jww s VAL 31 Cb 0.18 -3.38 -0.01 0.00 -1.53 0.00 0.00 36.38 31.64 1jww s VAL 31 CO -0.03 0.01 -0.04 0.00 -3.33 0.00 0.00 175.10 171.72 1jww n ALA 32 N -0.00 2.76 -2.10 1.54 0.00 0.36 -4.93 120.51 118.14 1jww n ALA 32 Ca -0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.20 1jww n ALA 32 Cb 0.53 0.23 -0.10 0.00 0.00 0.00 0.00 19.45 20.11 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 -5.97 0.48 -0.42 0.00 0.01 -0.47 -5.02 114.94 103.54 1jww s ASN 33 Ca -0.03 -1.00 0.08 0.00 -0.71 0.00 0.00 52.86 51.20 1jww s ASN 33 Cb 0.00 0.21 0.30 0.00 0.41 0.00 0.00 41.25 42.17 1jww s ASN 33 CO 0.05 -0.61 0.83 0.00 -1.51 0.00 0.00 177.10 175.86 1jww n ALA 34 N 0.10 0.70 -2.10 0.60 0.00 -1.26 -0.32 120.51 118.22 1jww n ALA 34 Ca -0.14 -2.50 -0.41 0.00 0.00 0.00 0.00 53.44 50.39 1jww n ALA 34 Cb 0.61 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 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 0.76 2.76 -1.59 0.00 -0.04 -1.19 -4.73 135.00 130.99 1jww n PRO 35 Ca 0.16 -2.83 -0.32 0.00 -0.04 0.00 0.00 63.50 60.47 1jww n PRO 35 Cb 0.64 -3.40 0.06 0.00 -0.04 0.00 0.00 33.50 30.76 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 4.63 3.44 -0.13 0.52 -7.23 -1.26 -4.43 120.40 115.95 1jww s VAL 36 Ca 0.53 0.57 -0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1jww s VAL 36 Cb 0.08 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.87 1jww s VAL 36 CO 0.03 -0.51 0.12 0.20 -0.31 0.00 0.00 175.10 174.63 1jww s ASN 37 N -3.05 6.20 -0.48 4.85 0.01 -0.14 -4.93 114.94 117.39 1jww s ASN 37 Ca 0.63 0.38 0.06 0.00 -0.71 0.00 0.00 52.86 53.22 1jww s ASN 37 Cb -0.18 -2.00 0.39 0.00 0.41 0.00 0.00 41.25 39.87 1jww s ASN 37 CO 0.48 0.36 1.04 2.22 -1.51 0.00 0.00 177.10 179.69 1jww n PHE 38 N 2.30 3.52 0.00 2.20 -1.74 -1.26 -4.12 117.46 118.35 1jww n PHE 38 Ca -0.19 -3.43 0.00 0.00 -0.56 0.00 0.00 57.45 53.27 1jww n PHE 38 Cb 0.54 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.30 1jww n PHE 38 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1jww n ALA 39 N -0.37 0.00 0.58 1.98 0.00 -1.26 -4.34 120.51 117.10 1jww n ALA 39 Ca 0.35 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.92 1jww n ALA 39 Cb 0.57 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.35 1jww n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1jww h LEU 40 N 0.00 0.00 -1.33 0.00 3.38 -1.99 -3.48 115.31 111.89 1jww h LEU 40 Ca 0.00 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1jww h LEU 40 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 1jww h LEU 40 CO 0.00 0.03 -0.25 -0.62 0.09 0.00 0.00 178.44 177.68 1jww n GLU 41 N -2.28 -2.64 -3.78 1.13 1.02 -1.26 -5.05 120.64 107.78 1jww n GLU 41 Ca 0.05 0.30 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1jww n GLU 41 Cb 0.44 -3.70 -0.15 0.00 -0.02 0.00 0.00 31.44 28.01 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 -3.12 -0.05 -0.08 2.62 -4.23 -1.26 -3.00 115.64 106.52 1jww s THR 42 Ca 0.12 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.75 1jww s THR 42 Cb -0.05 -0.11 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1jww s THR 42 CO 0.26 0.07 0.15 -0.69 -0.54 0.00 0.00 174.62 173.87 1jww s VAL 43 N 0.92 5.48 -0.09 2.29 1.01 0.06 -0.97 120.40 129.11 1jww s VAL 43 Ca -0.08 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1jww s VAL 43 Cb -0.11 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.85 1jww s VAL 43 CO -0.03 0.53 -0.08 -0.89 0.00 0.00 0.00 175.10 174.62 1jww s THR 44 N -1.12 0.97 -0.05 3.92 2.01 -1.26 -0.44 115.64 119.67 1jww s THR 44 Ca 0.19 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.92 1jww s THR 44 Cb -0.12 -0.96 -0.00 0.00 0.01 0.00 0.00 72.50 71.42 1jww s THR 44 CO 0.09 0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.51 1jww s VAL 45 N 1.31 1.36 -0.59 3.82 1.01 0.26 -3.15 120.40 124.44 1jww s VAL 45 Ca -0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1jww s VAL 45 Cb -0.14 -1.18 0.15 0.00 0.00 0.00 0.00 36.38 35.21 1jww s VAL 45 CO -0.03 0.40 0.44 -1.61 0.00 0.00 0.00 175.10 174.29 1jww s GLU 46 N 0.13 2.64 0.10 2.72 2.02 0.56 -0.42 118.70 126.45 1jww s GLU 46 Ca -0.06 -2.22 -0.01 0.00 0.02 0.00 0.00 54.97 52.70 1jww s GLU 46 Cb -0.12 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.19 1jww s GLU 46 CO 0.02 -1.19 0.03 1.52 0.02 0.00 0.00 175.26 175.67 1jww s TYR 47 N 0.51 0.73 -0.13 1.61 1.13 -0.85 -0.48 117.35 119.87 1jww s TYR 47 Ca 0.13 -1.17 -0.13 0.00 -1.41 0.00 0.00 57.07 54.49 1jww s TYR 47 Cb -0.21 -0.44 -0.05 0.00 -1.10 0.00 0.00 41.96 40.17 1jww s TYR 47 CO -0.04 -0.47 0.30 0.54 -2.51 0.00 0.00 175.55 173.38 1jww s ASN 48 N -3.00 6.50 -0.99 -0.18 2.20 0.52 -0.40 114.94 119.59 1jww s ASN 48 Ca 0.18 0.58 -0.08 0.00 -0.94 0.00 0.00 52.86 52.60 1jww s ASN 48 Cb 0.08 -2.19 -0.15 0.00 -2.00 0.00 0.00 41.25 36.99 1jww s ASN 48 CO -0.03 0.16 3.06 -0.81 -2.94 0.00 0.00 177.10 176.54 1jww n PRO 49 N 3.17 2.92 -0.01 3.55 -0.04 -1.26 -3.71 135.00 139.62 1jww n PRO 49 Ca -0.13 -1.69 -0.02 0.00 -0.04 0.00 0.00 63.50 61.63 1jww n PRO 49 Cb 0.52 -2.47 -0.01 0.00 -0.04 0.00 0.00 33.50 31.50 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 3.26 0.05 -0.13 0.54 2.85 -1.26 -4.94 118.16 118.53 1jww n LYS 50 Ca 0.62 0.02 -0.25 0.00 -1.05 0.00 0.00 58.31 57.65 1jww n LYS 50 Cb 0.45 -0.77 -0.11 0.00 -0.65 0.00 0.00 35.03 33.95 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 -2.86 0.61 -2.36 -1.58 2.13 -1.24 -5.02 120.64 110.31 1jww n GLU 51 Ca -0.04 0.24 -0.04 0.00 0.66 0.00 0.00 57.16 57.98 1jww n GLU 51 Cb 0.53 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.71 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jww n ALA 52 N -3.83 0.07 -2.99 4.31 0.00 -1.26 -4.91 120.51 111.91 1jww n ALA 52 Ca -0.50 -0.31 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 1jww n ALA 52 Cb 0.92 0.18 -0.06 0.00 0.00 0.00 0.00 19.45 20.49 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 -1.38 0.04 0.29 0.00 1.04 -1.26 -4.50 113.70 107.92 1jww s SER 53 Ca 0.01 -1.06 0.03 0.00 0.48 0.00 0.00 55.95 55.41 1jww s SER 53 Cb 0.00 0.56 0.70 0.00 0.10 0.00 0.00 66.02 67.38 1jww s SER 53 CO 0.01 -1.11 1.72 -0.37 0.98 0.00 0.00 173.24 174.47 1jww h VAL 54 N 2.30 0.57 -0.71 5.02 -1.51 -2.00 -1.59 116.25 118.34 1jww h VAL 54 Ca -0.28 -0.17 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1jww h VAL 54 Cb 1.25 0.01 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1jww h VAL 54 CO 0.39 0.09 0.41 0.28 -1.23 0.00 0.00 177.57 177.51 1jww h SER 55 N 0.51 0.87 0.67 4.19 0.02 -1.98 -0.27 113.55 117.56 1jww h SER 55 Ca 0.55 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 61.38 1jww h SER 55 Cb 0.96 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.29 1jww h SER 55 CO -0.47 0.70 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.82 1jww h ASP 56 N 0.98 -0.76 -0.58 3.07 3.58 -1.70 -1.15 116.42 119.85 1jww h ASP 56 Ca 0.25 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1jww h ASP 56 Cb 0.00 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 1jww h ASP 56 CO -0.04 -0.47 0.04 0.17 -2.88 0.00 0.00 179.24 176.05 1jww h LEU 57 N -1.01 0.98 -0.85 2.28 8.10 -1.38 0.30 115.31 123.73 1jww h LEU 57 Ca -0.09 -0.29 0.21 0.00 0.11 0.00 0.00 57.88 57.81 1jww h LEU 57 Cb 0.72 -0.26 -0.15 0.00 -0.44 0.00 0.00 40.66 40.53 1jww h LEU 57 CO 0.15 1.03 0.02 0.50 -4.11 0.00 0.00 178.44 176.03 1jww h LYS 58 N 0.90 0.08 -0.48 0.17 3.11 -1.08 -0.61 116.57 118.66 1jww h LYS 58 Ca 0.17 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1jww h LYS 58 Cb 0.50 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1jww h LYS 58 CO 0.02 0.05 0.24 1.49 -2.81 0.00 0.00 179.45 178.45 1jww h GLU 59 N 0.08 0.68 -0.53 1.90 4.22 0.85 0.14 114.58 121.93 1jww h GLU 59 Ca 0.48 -0.09 0.10 0.00 0.08 0.00 0.00 59.36 59.93 1jww h GLU 59 Cb 0.90 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 1jww h GLU 59 CO -0.76 0.56 0.06 0.00 -2.18 0.00 0.00 179.01 176.70 1jww h ALA 60 N 1.08 0.57 -0.25 2.92 0.00 0.11 0.30 119.26 124.00 1jww h ALA 60 Ca 0.17 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jww h ALA 60 Cb 0.10 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jww h ALA 60 CO -0.02 -0.35 0.02 0.28 0.00 0.00 0.00 179.25 179.18 1jww h VAL 61 N 0.19 1.24 -0.92 0.00 2.07 -0.89 -2.10 116.25 115.84 1jww h VAL 61 Ca 0.27 -0.84 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1jww h VAL 61 Cb 0.40 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 1jww h VAL 61 CO -0.39 0.26 0.59 -0.78 0.02 0.00 0.00 177.57 177.28 1jww h ASP 62 N 0.21 0.88 -0.18 0.57 1.82 0.39 -0.97 116.42 119.14 1jww h ASP 62 Ca 0.07 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.64 1jww h ASP 62 Cb 0.37 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.20 1jww h ASP 62 CO 0.01 0.53 -0.18 0.50 -1.61 0.00 0.00 179.24 178.50 1jww h LYS 63 N 0.98 0.59 -0.15 0.28 1.63 -0.32 0.10 116.57 119.68 1jww h LYS 63 Ca 0.42 -0.20 0.04 0.00 -0.85 0.00 0.00 60.65 60.05 1jww h LYS 63 Cb 0.32 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1jww h LYS 63 CO -0.17 0.74 0.11 -0.07 -3.45 0.00 0.00 179.45 176.60 1jww h LEU 64 N 0.53 0.02 0.00 5.20 3.38 -0.47 -3.47 115.31 120.50 1jww h LEU 64 Ca 0.09 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jww h LEU 64 Cb 0.60 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jww h LEU 64 CO 0.04 0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1jww n GLY 65 N -1.56 4.51 3.92 0.83 0.00 0.36 -5.11 105.19 108.13 1jww n GLY 65 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 3.49 0.32 1.61 1.13 -1.24 -4.91 117.35 117.74 1jww s TYR 66 Ca 0.00 0.34 -0.09 0.00 -1.41 0.00 0.00 57.07 55.91 1jww s TYR 66 Cb 0.00 -1.84 -0.06 0.00 -1.10 0.00 0.00 41.96 38.96 1jww s TYR 66 CO 0.00 0.46 0.64 0.15 -2.51 0.00 0.00 175.55 174.29 1jww s LYS 67 N -2.96 3.75 0.06 -3.49 3.01 -0.24 -3.15 119.74 116.72 1jww s LYS 67 Ca 0.38 0.27 0.05 0.00 -1.01 0.00 0.00 55.97 55.66 1jww s LYS 67 Cb -0.12 -2.54 -0.03 0.00 -1.01 0.00 0.00 37.83 34.14 1jww s LYS 67 CO 0.28 0.14 -0.14 -1.17 0.51 0.00 0.00 175.35 174.97 1jww s LEU 68 N -3.45 2.24 0.01 3.17 2.96 -1.26 -1.79 118.68 120.55 1jww s LEU 68 Ca 0.48 -0.55 -0.21 0.00 -0.22 0.00 0.00 54.13 53.62 1jww s LEU 68 Cb -0.11 -0.56 0.04 0.00 0.50 0.00 0.00 46.19 46.07 1jww s LEU 68 CO 0.27 -0.03 0.48 -0.75 -1.32 0.00 0.00 176.35 175.00 1jww s LYS 69 N -1.50 0.93 0.75 1.98 2.47 -1.08 -4.95 119.74 118.34 1jww s LYS 69 Ca -0.00 -0.17 -0.14 0.00 -1.56 0.00 0.00 55.97 54.09 1jww s LYS 69 Cb -0.09 0.42 0.05 0.00 -1.46 0.00 0.00 37.83 36.75 1jww s LYS 69 CO 0.02 -0.31 1.20 -1.17 0.16 0.00 0.00 175.35 175.25 1jww s LEU 70 N -1.69 3.27 -0.06 5.43 2.96 -1.26 -0.07 118.68 127.26 1jww s LEU 70 Ca -0.08 2.33 -0.10 0.00 -0.22 0.00 0.00 54.13 56.06 1jww s LEU 70 Cb -0.02 -4.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.06 1jww s LEU 70 CO 0.02 -2.32 -0.18 1.17 -1.32 0.00 0.00 176.35 173.71 1jww n LYS 71 N -2.85 0.28 0.00 1.98 4.81 0.72 -4.60 118.16 118.49 1jww n LYS 71 Ca 0.13 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 1jww n LYS 71 Cb 0.50 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.58 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 2.31 -2.32 3.83 3.14 0.00 -1.21 -5.03 105.19 105.91 1jww n GLY 72 Ca -0.07 0.75 -0.06 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.06 1.76 0.05 1.61 -1.05 -1.26 -4.12 118.70 115.63 1jww s GLU 73 Ca 0.00 -1.06 -0.38 0.00 -0.15 0.00 0.00 54.97 53.38 1jww s GLU 73 Cb 0.00 0.54 -0.18 0.00 -0.44 0.00 0.00 34.13 34.05 1jww s GLU 73 CO 0.00 -0.82 1.25 0.00 0.95 0.00 0.00 175.26 176.64 1jww n GLN 74 N -0.52 0.73 -0.59 -4.83 10.64 -0.35 -4.23 117.38 118.24 1jww n GLN 74 Ca -0.06 0.27 0.08 0.00 -1.83 0.00 0.00 57.00 55.46 1jww n GLN 74 Cb 0.60 -1.86 -0.02 0.00 -0.86 0.00 0.00 30.24 28.10 1jww n GLN 74 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1jww n ASP 75 N 2.17 -4.91 -0.00 2.61 -0.08 -1.26 -4.59 116.55 110.49 1jww n ASP 75 Ca 0.19 0.63 0.04 0.00 -1.51 0.00 0.00 54.79 54.15 1jww n ASP 75 Cb 0.15 -1.78 -0.12 0.00 2.34 0.00 0.00 41.12 41.71 1jww n ASP 75 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1jww n SER 76 N -2.53 0.31 0.00 1.67 7.64 -1.26 -4.98 113.62 114.47 1jww n SER 76 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1jww n SER 76 Cb 0.27 1.18 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 1jww n SER 76 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jww n ILE 77 N -2.55 0.00 -3.68 0.44 5.41 -1.26 -5.02 119.36 112.69 1jww n ILE 77 Ca -0.11 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.40 1jww n ILE 77 Cb 0.74 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 39.68 1jww n ILE 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1jww n GLU 78 N 0.00 -0.74 -1.86 0.38 2.13 -1.26 -4.86 120.64 114.44 1jww n GLU 78 Ca 0.00 0.15 -0.43 0.00 0.66 0.00 0.00 57.16 57.54 1jww n GLU 78 Cb 0.00 -1.35 -0.03 0.00 0.27 0.00 0.00 31.44 30.33 1jww n GLU 78 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1jww s GLY 79 N -3.38 0.69 0.00 8.31 0.00 -1.26 -5.06 107.32 106.62 1jww s GLY 79 Ca 0.17 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.34 1jww s GLY 79 CO 0.62 3.46 0.00 -2.13 0.00 0.00 0.00 173.10 175.05