#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 5.10 0.04 1.55 -4.23 -1.26 -4.55 115.64 112.29 1jww s THR 2 Ca 0.00 -0.19 0.05 0.00 -1.18 0.00 0.00 61.69 60.37 1jww s THR 2 Cb 0.00 -3.76 -0.02 0.00 1.34 0.00 0.00 72.50 70.06 1jww s THR 2 CO 0.00 -0.32 -0.16 -1.61 -0.54 0.00 0.00 174.62 171.99 1jww s GLU 3 N -3.64 1.03 -0.43 3.99 2.02 0.53 -4.85 118.70 117.35 1jww s GLU 3 Ca 0.41 -0.81 -0.06 0.00 0.02 0.00 0.00 54.97 54.54 1jww s GLU 3 Cb -0.11 -1.06 0.11 0.00 0.10 0.00 0.00 34.13 33.17 1jww s GLU 3 CO 0.31 0.26 0.26 0.21 0.02 0.00 0.00 175.26 176.32 1jww s LYS 4 N -1.17 2.21 0.17 1.61 2.20 -1.26 -0.91 119.74 122.58 1jww s LYS 4 Ca 0.03 -1.78 0.08 0.00 -0.36 0.00 0.00 55.97 53.93 1jww s LYS 4 Cb -0.08 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 1jww s LYS 4 CO 0.01 -1.11 -0.03 0.00 -0.36 0.00 0.00 175.35 173.86 1jww s ALA 5 N 1.24 3.13 0.06 3.13 0.00 0.57 -1.60 121.76 128.29 1jww s ALA 5 Ca 0.07 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.72 1jww s ALA 5 Cb -0.24 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1jww s ALA 5 CO -0.03 0.50 -0.16 -1.21 0.00 0.00 0.00 175.76 174.87 1jww s GLU 6 N -2.83 0.95 -0.01 0.00 2.02 -1.26 -0.83 118.70 116.74 1jww s GLU 6 Ca 0.26 -0.93 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1jww s GLU 6 Cb -0.09 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.13 1jww s GLU 6 CO 0.17 0.24 -0.01 -0.06 0.02 0.00 0.00 175.26 175.62 1jww s PHE 7 N -1.09 0.16 -0.23 1.61 0.40 0.27 -0.11 117.98 119.00 1jww s PHE 7 Ca 0.01 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.23 1jww s PHE 7 Cb -0.09 -0.14 -0.05 0.00 0.51 0.00 0.00 43.02 43.25 1jww s PHE 7 CO 0.02 -0.02 0.14 0.34 0.70 0.00 0.00 175.22 176.40 1jww s ASP 8 N 0.15 6.00 -0.20 1.36 -1.08 0.45 -0.63 116.67 122.72 1jww s ASP 8 Ca -0.01 0.11 -0.07 0.00 -0.52 0.00 0.00 52.55 52.05 1jww s ASP 8 Cb -0.03 -2.07 -0.04 0.00 -1.46 0.00 0.00 42.92 39.32 1jww s ASP 8 CO -0.00 0.09 0.06 -0.63 0.52 0.00 0.00 175.17 175.21 1jww s ILE 9 N 0.87 4.61 -0.44 4.11 -1.09 -0.67 -3.46 121.20 125.13 1jww s ILE 9 Ca 0.07 -0.09 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1jww s ILE 9 Cb -0.13 -3.10 0.12 0.00 -1.58 0.00 0.00 42.46 37.77 1jww s ILE 9 CO 0.03 0.42 0.25 -1.61 -1.23 0.00 0.00 174.94 172.79 1jww s GLU 10 N 0.76 2.11 0.00 2.79 0.41 -1.21 -4.87 118.70 118.69 1jww s GLU 10 Ca 0.03 -1.92 0.00 0.00 -0.41 0.00 0.00 54.97 52.68 1jww s GLU 10 Cb -0.13 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1jww s GLU 10 CO 0.02 -1.10 0.00 0.41 -0.49 0.00 0.00 175.26 174.11 1jww n GLY 11 N 4.46 -0.45 3.44 -1.39 0.00 -1.26 -3.00 105.19 106.98 1jww n GLY 11 Ca -0.01 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 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 3.61 -0.56 1.61 -1.94 -1.26 -4.88 119.30 115.88 1jww s MET 12 Ca 0.00 -1.84 0.05 0.00 -1.71 0.00 0.00 55.69 52.18 1jww s MET 12 Cb 0.00 -4.88 0.36 0.00 2.01 0.00 0.00 34.83 32.33 1jww s MET 12 CO 0.00 -1.73 1.05 0.25 -0.01 0.00 0.00 175.02 174.58 1jww n THR 13 N 5.34 3.00 0.00 2.05 -2.24 -1.26 -4.13 114.28 117.04 1jww n THR 13 Ca 0.23 -5.40 0.00 0.00 -2.27 0.00 0.00 64.05 56.62 1jww n THR 13 Cb 0.49 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 -2.57 0.00 -0.23 0.00 0.00 -1.26 -4.29 120.51 112.16 1jww n ALA 15 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1jww n ALA 15 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 0.86 -0.05 0.00 0.00 -1.99 0.46 119.26 118.55 1jww h ALA 16 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1jww h ALA 16 Cb 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jww h ALA 16 CO 0.00 0.65 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 1jww h ALA 18 N 0.39 0.29 -0.73 0.00 0.00 -1.67 0.20 119.26 117.74 1jww h ALA 18 Ca -0.03 0.25 0.20 0.00 0.00 0.00 0.00 54.91 55.33 1jww h ALA 18 Cb 1.05 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 1jww h ALA 18 CO 0.08 -0.51 0.52 -0.97 0.00 0.00 0.00 179.25 178.36 1jww h ASN 19 N -0.06 0.04 0.04 0.00 -1.24 -0.86 -0.13 115.58 113.38 1jww h ASN 19 Ca 0.31 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 57.15 1jww h ASN 19 Cb 0.55 -0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1jww h ASN 19 CO -0.75 0.02 -0.65 -0.09 -1.29 0.00 0.00 177.43 174.67 1jww h ARG 20 N 0.04 0.58 -0.29 6.67 2.43 -0.52 -2.81 114.38 120.48 1jww h ARG 20 Ca 0.35 -0.41 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1jww h ARG 20 Cb 1.33 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1jww h ARG 20 CO -0.02 1.03 0.09 0.82 -1.51 0.00 0.00 179.97 180.39 1jww h ILE 21 N 0.42 0.92 -0.73 1.20 2.04 -0.67 -1.27 117.51 119.42 1jww h ILE 21 Ca -0.01 -0.08 0.16 0.00 1.00 0.00 0.00 64.86 65.93 1jww h ILE 21 Cb 1.22 0.68 -0.12 0.00 -0.74 0.00 0.00 36.82 37.86 1jww h ILE 21 CO 0.12 0.04 0.07 -0.33 0.00 0.00 0.00 178.15 178.05 1jww h GLU 22 N 0.22 0.15 -0.02 2.37 5.08 -1.23 0.27 114.58 121.42 1jww h GLU 22 Ca 0.13 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1jww h GLU 22 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1jww h GLU 22 CO -0.14 0.10 -0.08 -0.22 -1.00 0.00 0.00 179.01 177.68 1jww h LYS 23 N 0.16 0.09 -0.92 2.33 3.64 -1.40 0.20 116.57 120.67 1jww h LYS 23 Ca 0.40 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.83 1jww h LYS 23 Cb 0.71 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 1jww h LYS 23 CO -0.59 0.70 0.55 0.00 -2.27 0.00 0.00 179.45 177.83 1jww h ARG 24 N -0.49 0.84 0.14 1.90 2.47 -0.54 -0.40 114.38 118.29 1jww h ARG 24 Ca -0.00 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 1jww h ARG 24 Cb 0.70 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 1jww h ARG 24 CO 0.02 0.55 -0.07 -0.07 0.56 0.00 0.00 179.97 180.97 1jww h LEU 25 N 0.86 -0.16 -2.07 3.04 3.38 -0.49 -3.14 115.31 116.74 1jww h LEU 25 Ca 0.46 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1jww h LEU 25 Cb 0.49 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1jww h LEU 25 CO -0.28 0.28 0.30 0.78 0.09 0.00 0.00 178.44 179.61 1jww h ASN 26 N -0.63 0.00 -0.08 -0.43 4.21 0.06 0.15 115.58 118.86 1jww h ASN 26 Ca -0.02 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.52 1jww h ASN 26 Cb 0.48 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1jww h ASN 26 CO 0.03 0.00 0.08 0.50 -1.29 0.00 0.00 177.43 176.75 1jww h LYS 27 N 0.00 0.00 -6.55 0.81 3.64 -1.04 -3.43 116.57 110.00 1jww h LYS 27 Ca 0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 1jww h LYS 27 Cb 0.59 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 32.49 1jww h LYS 27 CO 0.00 0.00 0.61 -0.89 -2.27 0.00 0.00 179.45 176.90 1jww n ILE 28 N -4.00 0.79 -0.04 2.00 5.41 0.51 -4.93 119.36 119.09 1jww n ILE 28 Ca -0.01 -0.20 -0.13 0.00 1.00 0.00 0.00 62.75 63.41 1jww n ILE 28 Cb 0.18 -1.43 -0.08 0.00 -0.71 0.00 0.00 39.64 37.61 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 4.41 0.25 -1.86 0.38 5.08 -1.89 -3.29 114.58 117.66 1jww h GLU 29 Ca -0.45 -0.13 -0.31 0.00 -1.00 0.00 0.00 59.36 57.47 1jww h GLU 29 Cb 1.28 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 1jww h GLU 29 CO 0.77 0.65 0.18 0.41 -1.00 0.00 0.00 179.01 180.02 1jww n GLY 30 N 0.18 3.74 3.91 -3.84 0.00 -1.26 -4.89 105.19 103.03 1jww n GLY 30 Ca -0.07 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.26 5.36 -0.15 1.61 0.11 -1.24 -0.42 120.40 124.41 1jww s VAL 31 Ca 0.45 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 59.06 1jww s VAL 31 Cb 0.28 -3.62 -0.06 0.00 -1.53 0.00 0.00 36.38 31.45 1jww s VAL 31 CO -0.08 0.14 -0.28 0.00 -3.33 0.00 0.00 175.10 171.56 1jww n ALA 32 N 0.33 1.39 -2.91 1.54 0.00 0.56 -4.93 120.51 116.49 1jww n ALA 32 Ca -0.05 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.57 1jww n ALA 32 Cb 0.51 0.11 -0.07 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 -6.20 -0.07 -0.40 0.00 0.01 -0.60 -5.01 114.94 102.66 1jww s ASN 33 Ca -0.25 -0.31 0.10 0.00 -0.71 0.00 0.00 52.86 51.69 1jww s ASN 33 Cb 0.05 0.35 0.32 0.00 0.41 0.00 0.00 41.25 42.39 1jww s ASN 33 CO 0.35 -0.65 0.81 0.00 -1.51 0.00 0.00 177.10 176.11 1jww n ALA 34 N 0.42 1.12 -2.52 0.60 0.00 -1.26 -0.21 120.51 118.65 1jww n ALA 34 Ca -0.18 -2.77 -0.40 0.00 0.00 0.00 0.00 53.44 50.09 1jww n ALA 34 Cb 0.60 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 1jww n ALA 34 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jww s PRO 35 N -1.37 3.65 0.60 0.00 0.04 -1.17 -4.54 135.00 132.20 1jww s PRO 35 Ca 0.34 -1.42 -0.17 0.00 0.04 0.00 0.00 61.00 59.80 1jww s PRO 35 Cb 0.30 -5.41 -0.03 0.00 0.04 0.00 0.00 34.50 29.40 1jww s PRO 35 CO -0.09 -2.36 1.09 0.14 0.04 0.00 0.00 177.00 175.82 1jww s VAL 36 N 5.20 3.48 -0.17 -0.36 -7.23 -1.26 -4.20 120.40 115.86 1jww s VAL 36 Ca 0.51 0.75 -0.16 0.00 -1.81 0.00 0.00 61.98 61.28 1jww s VAL 36 Cb 0.01 -3.27 -0.04 0.00 0.56 0.00 0.00 36.38 33.64 1jww s VAL 36 CO -0.02 -0.36 0.40 0.20 -0.31 0.00 0.00 175.10 175.01 1jww s ASN 37 N -2.46 6.50 -0.91 4.85 0.01 0.27 -4.91 114.94 118.29 1jww s ASN 37 Ca 0.67 0.59 0.01 0.00 -0.71 0.00 0.00 52.86 53.41 1jww s ASN 37 Cb -0.19 -2.24 0.33 0.00 0.41 0.00 0.00 41.25 39.56 1jww s ASN 37 CO 0.35 -0.03 1.61 2.22 -1.51 0.00 0.00 177.10 179.75 1jww n PHE 38 N 4.11 3.11 0.00 2.20 -1.74 -1.26 -4.00 117.46 119.88 1jww n PHE 38 Ca -0.09 -2.91 0.00 0.00 -0.56 0.00 0.00 57.45 53.89 1jww n PHE 38 Cb 0.51 -1.01 0.00 0.00 1.52 0.00 0.00 39.48 40.50 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 -0.13 0.00 0.65 1.98 0.00 -1.26 -4.69 120.51 117.07 1jww n ALA 39 Ca 0.43 0.00 0.13 0.00 0.00 0.00 0.00 53.44 54.00 1jww n ALA 39 Cb 0.30 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.08 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 0.00 0.70 -1.02 0.00 4.77 -1.26 -4.94 117.00 115.24 1jww n LEU 40 Ca 0.00 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1jww n LEU 40 Cb 0.00 -0.28 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1jww n LEU 40 CO 0.00 -0.11 0.03 -0.62 -1.33 0.00 0.00 177.39 175.36 1jww n GLU 41 N -2.12 -1.42 -3.99 3.23 1.02 -1.26 -5.02 120.64 111.10 1jww n GLU 41 Ca 0.05 0.18 -0.17 0.00 -0.02 0.00 0.00 57.16 57.20 1jww n GLU 41 Cb 0.42 -3.32 -0.16 0.00 -0.02 0.00 0.00 31.44 28.36 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 -2.92 0.25 0.08 2.62 -4.23 -1.26 -1.68 115.64 108.50 1jww s THR 42 Ca 0.10 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 1jww s THR 42 Cb -0.04 -0.31 -0.06 0.00 1.34 0.00 0.00 72.50 73.43 1jww s THR 42 CO 0.12 0.14 0.48 -0.69 -0.54 0.00 0.00 174.62 174.14 1jww s VAL 43 N 0.80 4.94 -0.10 2.29 1.01 0.20 -0.57 120.40 128.97 1jww s VAL 43 Ca -0.08 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1jww s VAL 43 Cb -0.12 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.54 1jww s VAL 43 CO -0.01 0.40 -0.12 -0.89 0.00 0.00 0.00 175.10 174.48 1jww s THR 44 N -1.28 1.29 -0.00 3.92 2.01 -1.26 -0.57 115.64 119.75 1jww s THR 44 Ca 0.31 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.87 1jww s THR 44 Cb -0.16 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 1jww s THR 44 CO 0.17 0.40 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.61 1jww s VAL 45 N 1.15 1.60 -0.33 3.82 1.01 -0.01 -3.05 120.40 124.59 1jww s VAL 45 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1jww s VAL 45 Cb -0.14 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1jww s VAL 45 CO -0.03 0.39 0.04 -0.70 0.00 0.00 0.00 175.10 174.80 1jww s GLU 46 N -0.65 2.23 0.09 2.72 2.12 0.70 -0.32 118.70 125.59 1jww s GLU 46 Ca 0.08 -1.45 -0.12 0.00 0.36 0.00 0.00 54.97 53.83 1jww s GLU 46 Cb -0.08 -3.25 0.02 0.00 0.26 0.00 0.00 34.13 31.07 1jww s GLU 46 CO -0.00 -0.75 0.29 1.52 -0.54 0.00 0.00 175.26 175.78 1jww s TYR 47 N 1.18 -0.03 -0.12 5.30 1.13 -0.09 -0.32 117.35 124.41 1jww s TYR 47 Ca -0.01 -0.28 -0.21 0.00 -1.41 0.00 0.00 57.07 55.16 1jww s TYR 47 Cb -0.20 0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.71 1jww s TYR 47 CO -0.03 -0.58 0.62 0.54 -2.51 0.00 0.00 175.55 173.59 1jww s ASN 48 N -2.63 6.83 -1.27 -0.18 2.20 0.44 -0.35 114.94 119.97 1jww s ASN 48 Ca 0.02 1.00 -0.08 0.00 -0.94 0.00 0.00 52.86 52.85 1jww s ASN 48 Cb 0.02 -2.36 -0.07 0.00 -2.00 0.00 0.00 41.25 36.84 1jww s ASN 48 CO -0.09 -0.13 2.53 -0.81 -2.94 0.00 0.00 177.10 175.66 1jww n PRO 49 N 4.09 2.88 0.03 3.55 -0.04 -1.26 -3.35 135.00 140.90 1jww n PRO 49 Ca -0.03 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1jww n PRO 49 Cb 0.51 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1jww n PRO 49 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jww n LYS 50 N 3.99 0.00 0.03 0.54 4.81 -1.26 -4.93 118.16 121.34 1jww n LYS 50 Ca 0.62 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.84 1jww n LYS 50 Cb 0.19 -0.23 -0.14 0.00 0.02 0.00 0.00 35.03 34.87 1jww n LYS 50 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jww h GLU 51 N 0.00 0.29 0.00 1.64 4.57 -1.89 -3.48 114.58 115.71 1jww h GLU 51 Ca 0.00 -0.49 -0.20 0.00 -1.18 0.00 0.00 59.36 57.49 1jww h GLU 51 Cb 0.34 0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 1jww h GLU 51 CO 0.00 1.24 -0.18 0.00 -1.18 0.00 0.00 179.01 178.89 1jww n ALA 52 N -2.86 0.24 -2.61 2.92 0.00 -1.25 -4.87 120.51 112.07 1jww n ALA 52 Ca -0.21 -0.76 -0.10 0.00 0.00 0.00 0.00 53.44 52.37 1jww n ALA 52 Cb 0.90 0.55 -0.08 0.00 0.00 0.00 0.00 19.45 20.83 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 -1.92 0.08 0.29 0.00 1.04 -1.26 -4.43 113.70 107.51 1jww s SER 53 Ca 0.10 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.56 1jww s SER 53 Cb 0.01 0.43 0.72 0.00 0.10 0.00 0.00 66.02 67.27 1jww s SER 53 CO 0.07 -0.90 1.74 -0.37 0.98 0.00 0.00 173.24 174.76 1jww h VAL 54 N 2.56 0.60 -0.66 5.02 -1.51 -1.99 -1.26 116.25 119.01 1jww h VAL 54 Ca -0.32 -0.19 0.06 0.00 -1.23 0.00 0.00 66.70 65.02 1jww h VAL 54 Cb 1.23 -0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 30.31 1jww h VAL 54 CO 0.49 0.10 0.36 0.28 -1.23 0.00 0.00 177.57 177.57 1jww h SER 55 N 0.57 0.51 0.59 4.19 0.02 -1.97 0.15 113.55 117.61 1jww h SER 55 Ca 0.56 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.52 1jww h SER 55 Cb 0.96 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.45 1jww h SER 55 CO -0.45 0.33 -0.28 -0.78 -1.14 0.00 0.00 176.83 174.51 1jww h ASP 56 N 0.65 -0.67 -0.46 3.07 3.58 -1.65 -0.92 116.42 120.02 1jww h ASP 56 Ca 0.30 -0.03 -0.11 0.00 0.42 0.00 0.00 57.03 57.62 1jww h ASP 56 Cb 0.22 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1jww h ASP 56 CO -0.20 -0.37 -0.14 0.17 -2.88 0.00 0.00 179.24 175.82 1jww h LEU 57 N -0.95 0.92 -0.98 2.28 8.10 -1.22 0.33 115.31 123.79 1jww h LEU 57 Ca -0.08 -0.37 0.17 0.00 0.11 0.00 0.00 57.88 57.71 1jww h LEU 57 Cb 0.66 -0.25 -0.17 0.00 -0.44 0.00 0.00 40.66 40.46 1jww h LEU 57 CO 0.13 1.08 -0.33 1.17 -4.11 0.00 0.00 178.44 176.38 1jww n LYS 58 N -4.22 -0.17 -0.25 0.17 4.81 0.51 -0.88 118.16 118.13 1jww n LYS 58 Ca -0.00 1.52 -0.04 0.00 -0.87 0.00 0.00 58.31 58.91 1jww n LYS 58 Cb 0.40 -2.26 0.06 0.00 0.02 0.00 0.00 35.03 33.25 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 0.87 -0.59 1.64 4.81 0.10 0.20 114.58 121.62 1jww h GLU 59 Ca 0.39 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.68 1jww h GLU 59 Cb 0.64 -0.20 -0.08 0.00 0.63 0.00 0.00 28.75 29.74 1jww h GLU 59 CO -0.99 0.58 0.12 0.00 -0.73 0.00 0.00 179.01 177.98 1jww h ALA 60 N 1.27 0.68 -0.12 2.92 0.00 0.10 0.11 119.26 124.23 1jww h ALA 60 Ca 0.26 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1jww h ALA 60 Cb -0.06 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jww h ALA 60 CO -0.08 -0.31 -0.06 0.28 0.00 0.00 0.00 179.25 179.08 1jww h VAL 61 N 0.25 1.32 -0.62 0.00 2.07 -0.82 -2.01 116.25 116.42 1jww h VAL 61 Ca 0.31 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1jww h VAL 61 Cb 0.45 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1jww h VAL 61 CO -0.40 0.31 0.41 -0.78 0.02 0.00 0.00 177.57 177.13 1jww h ASP 62 N -0.09 0.58 1.12 0.57 3.58 0.33 -0.32 116.42 122.19 1jww h ASP 62 Ca 0.03 -0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.29 1jww h ASP 62 Cb 0.52 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1jww h ASP 62 CO 0.02 0.39 -0.89 0.50 -2.88 0.00 0.00 179.24 176.38 1jww h LYS 63 N 0.67 0.00 -0.82 0.28 3.64 -0.83 -2.85 116.57 116.66 1jww h LYS 63 Ca 0.26 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.76 1jww h LYS 63 Cb 0.18 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.92 1jww h LYS 63 CO -0.08 0.87 0.44 -0.07 -2.27 0.00 0.00 179.45 178.35 1jww h LEU 64 N 0.00 0.59 0.00 5.20 3.38 -0.30 -3.47 115.31 120.71 1jww h LEU 64 Ca -0.01 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jww h LEU 64 Cb 1.68 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1jww h LEU 64 CO 0.11 0.30 0.00 0.61 0.09 0.00 0.00 178.44 179.55 1jww n GLY 65 N -1.32 0.72 3.59 0.83 0.00 -0.78 -5.11 105.19 103.12 1jww n GLY 65 Ca 0.15 0.00 -0.24 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 -0.01 2.59 0.28 1.61 1.13 -1.23 -5.00 117.35 116.74 1jww s TYR 66 Ca 0.00 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.44 1jww s TYR 66 Cb 0.00 -1.16 -0.03 0.00 -1.10 0.00 0.00 41.96 39.67 1jww s TYR 66 CO 0.00 0.63 0.45 0.15 -2.51 0.00 0.00 175.55 174.26 1jww s LYS 67 N -3.51 3.47 0.02 -3.49 1.02 -1.16 -3.13 119.74 112.96 1jww s LYS 67 Ca 0.30 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 55.77 1jww s LYS 67 Cb -0.06 -2.78 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1jww s LYS 67 CO 0.18 0.30 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.69 1jww s LEU 68 N -4.08 2.18 0.02 3.17 2.96 -1.26 -3.32 118.68 118.36 1jww s LEU 68 Ca 0.37 -0.41 -0.20 0.00 -0.22 0.00 0.00 54.13 53.67 1jww s LEU 68 Cb -0.09 -0.11 0.04 0.00 0.50 0.00 0.00 46.19 46.53 1jww s LEU 68 CO 0.32 -0.16 0.46 -0.75 -1.32 0.00 0.00 176.35 174.91 1jww s LYS 69 N -1.15 0.93 0.91 1.98 2.47 -1.22 -4.94 119.74 118.72 1jww s LYS 69 Ca -0.08 -0.22 -0.10 0.00 -1.56 0.00 0.00 55.97 54.01 1jww s LYS 69 Cb -0.08 0.42 0.14 0.00 -1.46 0.00 0.00 37.83 36.86 1jww s LYS 69 CO -0.00 -0.31 1.14 -0.51 0.16 0.00 0.00 175.35 175.83 1jww s LEU 70 N -1.79 2.81 -0.02 5.43 1.43 -1.26 -0.42 118.68 124.87 1jww s LEU 70 Ca -0.07 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.12 1jww s LEU 70 Cb -0.01 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 1jww s LEU 70 CO 0.00 -3.07 -0.12 1.17 0.23 0.00 0.00 176.35 174.57 1jww n LYS 71 N -4.21 0.19 0.00 1.70 3.00 0.84 -4.52 118.16 115.16 1jww n LYS 71 Ca 0.11 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1jww n LYS 71 Cb 0.52 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.73 1jww n LYS 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jww n GLY 72 N 2.72 -2.46 3.51 3.14 0.00 -1.20 -5.03 105.19 105.86 1jww n GLY 72 Ca -0.08 0.83 -0.09 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 0.96 0.35 1.61 -1.05 -1.26 -4.05 118.70 115.26 1jww s GLU 73 Ca 0.00 -0.37 -0.29 0.00 -0.15 0.00 0.00 54.97 54.16 1jww s GLU 73 Cb 0.00 0.43 -0.11 0.00 -0.44 0.00 0.00 34.13 34.01 1jww s GLU 73 CO 0.00 -0.42 1.44 -1.14 0.95 0.00 0.00 175.26 176.09 1jww s GLN 74 N -3.29 4.19 0.24 -4.83 -0.44 -0.63 -4.57 119.66 110.33 1jww s GLN 74 Ca 0.05 2.46 -0.12 0.00 -2.50 0.00 0.00 55.36 55.24 1jww s GLN 74 Cb -0.01 -3.01 0.33 0.00 -1.64 0.00 0.00 33.01 28.68 1jww s GLN 74 CO -0.09 -0.44 1.58 0.22 0.50 0.00 0.00 175.29 177.06 1jww h ASP 75 N 3.40 -0.93 -2.44 6.67 1.82 -1.99 -3.47 116.42 119.47 1jww h ASP 75 Ca -0.50 0.26 0.04 0.00 -0.39 0.00 0.00 57.03 56.44 1jww h ASP 75 Cb 1.23 0.57 -0.01 0.00 0.68 0.00 0.00 39.33 41.81 1jww h ASP 75 CO 0.67 -0.29 -0.05 -0.24 -1.61 0.00 0.00 179.24 177.72 1jww n SER 76 N -5.53 -3.78 -0.96 2.28 2.88 -1.26 -4.78 113.62 102.48 1jww n SER 76 Ca 0.12 0.14 0.01 0.00 -1.33 0.00 0.00 58.87 57.80 1jww n SER 76 Cb 0.42 -0.40 -0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1jww n SER 76 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1jww n ILE 77 N -1.45 0.00 -4.83 2.46 5.41 -1.26 -5.15 119.36 114.55 1jww n ILE 77 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.36 1jww n ILE 77 Cb 0.06 0.63 0.00 0.00 -0.71 0.00 0.00 39.64 39.62 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 0.19 0.00 0.00 0.38 2.13 -1.26 -5.06 120.64 117.02 1jww n GLU 78 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1jww n GLU 78 Cb 0.85 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.56 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jww n GLY 79 N 0.00 0.20 0.39 8.31 0.00 -1.26 -5.26 105.19 107.57 1jww n GLY 79 Ca 0.00 0.45 0.14 0.00 0.00 0.00 0.00 46.02 46.61 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86