#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 0.01 0.02 1.55 -4.23 -1.26 -4.52 115.64 107.21 1jww s THR 2 Ca 0.00 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 1jww s THR 2 Cb 0.00 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 1jww s THR 2 CO 0.00 -0.03 -0.07 -0.70 -0.54 0.00 0.00 174.62 173.27 1jww s GLU 3 N -4.10 0.51 0.32 3.99 2.12 0.56 -4.90 118.70 117.20 1jww s GLU 3 Ca 0.32 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.87 1jww s GLU 3 Cb 0.04 -0.36 -0.10 0.00 0.26 0.00 0.00 34.13 33.98 1jww s GLU 3 CO 0.10 0.08 0.89 0.15 -0.54 0.00 0.00 175.26 175.94 1jww s LYS 4 N -1.02 4.42 -0.06 4.30 -0.14 -1.26 -1.02 119.74 124.96 1jww s LYS 4 Ca -0.05 1.16 -0.07 0.00 -1.36 0.00 0.00 55.97 55.65 1jww s LYS 4 Cb -0.07 -2.68 0.02 0.00 -1.68 0.00 0.00 37.83 33.41 1jww s LYS 4 CO 0.00 0.24 0.18 0.00 -0.76 0.00 0.00 175.35 175.01 1jww s ALA 5 N -1.72 -0.44 0.10 5.17 0.00 0.21 -4.67 121.76 120.42 1jww s ALA 5 Ca 0.51 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.98 1jww s ALA 5 Cb -0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1jww s ALA 5 CO 0.21 -0.11 -0.24 -1.21 0.00 0.00 0.00 175.76 174.41 1jww s GLU 6 N -0.14 1.32 -0.01 0.00 2.02 -1.26 -0.68 118.70 119.96 1jww s GLU 6 Ca -0.02 -1.20 -0.00 0.00 0.02 0.00 0.00 54.97 53.76 1jww s GLU 6 Cb -0.02 -1.65 0.01 0.00 0.10 0.00 0.00 34.13 32.56 1jww s GLU 6 CO 0.01 0.40 0.02 -0.06 0.02 0.00 0.00 175.26 175.64 1jww s PHE 7 N -1.04 -0.01 -0.20 1.61 0.40 0.07 -0.38 117.98 118.42 1jww s PHE 7 Ca 0.10 0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.42 1jww s PHE 7 Cb -0.10 -0.04 -0.04 0.00 0.51 0.00 0.00 43.02 43.35 1jww s PHE 7 CO 0.04 -0.03 0.07 0.34 0.70 0.00 0.00 175.22 176.35 1jww s ASP 8 N 0.22 5.56 -0.13 1.36 -1.08 0.89 -1.00 116.67 122.49 1jww s ASP 8 Ca -0.02 0.03 -0.06 0.00 -0.52 0.00 0.00 52.55 51.98 1jww s ASP 8 Cb -0.03 -1.96 -0.04 0.00 -1.46 0.00 0.00 42.92 39.43 1jww s ASP 8 CO -0.01 0.13 0.07 -0.63 0.52 0.00 0.00 175.17 175.25 1jww s ILE 9 N 0.64 4.86 -0.33 4.11 -1.09 -1.17 -3.01 121.20 125.21 1jww s ILE 9 Ca 0.03 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1jww s ILE 9 Cb -0.13 -3.13 0.10 0.00 -1.58 0.00 0.00 42.46 37.73 1jww s ILE 9 CO 0.02 0.55 0.08 -1.61 -1.23 0.00 0.00 174.94 172.75 1jww s GLU 10 N -0.44 1.16 0.00 2.79 0.41 -1.19 -4.94 118.70 116.48 1jww s GLU 10 Ca 0.10 -1.55 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 1jww s GLU 10 Cb -0.12 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.55 1jww s GLU 10 CO 0.02 -0.97 0.00 0.41 -0.49 0.00 0.00 175.26 174.23 1jww n GLY 11 N 4.47 -0.76 3.79 -1.39 0.00 -1.26 -2.74 105.19 107.31 1jww n GLY 11 Ca 0.02 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.98 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 2.86 -0.42 1.61 0.23 -1.26 -5.02 119.30 117.30 1jww s MET 12 Ca 0.00 1.19 0.08 0.00 -1.03 0.00 0.00 55.69 55.94 1jww s MET 12 Cb 0.00 -1.97 0.31 0.00 -1.53 0.00 0.00 34.83 31.64 1jww s MET 12 CO 0.00 -1.18 0.86 -2.37 -2.03 0.00 0.00 175.02 170.31 1jww n THR 13 N -2.70 -0.16 -3.62 3.16 5.66 -1.26 -4.96 114.28 110.39 1jww n THR 13 Ca 0.09 -2.94 -0.14 0.00 -3.05 0.00 0.00 64.05 58.02 1jww n THR 13 Cb 0.53 0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.62 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 4.79 0.64 -0.15 0.00 0.00 -1.95 0.01 119.26 122.60 1jww h ALA 15 Ca -0.29 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1jww h ALA 15 Cb 1.16 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1jww h ALA 15 CO 0.08 -0.27 -0.54 0.00 0.00 0.00 0.00 179.25 178.52 1jww h ALA 16 N 1.40 0.78 0.27 0.00 0.00 -1.97 0.35 119.26 120.08 1jww h ALA 16 Ca 0.27 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jww h ALA 16 Cb 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jww h ALA 16 CO -0.32 0.69 -0.13 0.00 0.00 0.00 0.00 179.25 179.49 1jww h ALA 18 N -0.18 1.91 -0.81 0.00 0.00 -0.88 -1.41 119.26 117.89 1jww h ALA 18 Ca -0.04 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1jww h ALA 18 Cb 0.50 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1jww h ALA 18 CO 0.06 -0.25 0.54 -0.97 0.00 0.00 0.00 179.25 178.63 1jww h ASN 19 N 0.61 0.39 -0.83 0.00 -0.00 -0.11 1.00 115.58 116.64 1jww h ASN 19 Ca 0.54 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.87 1jww h ASN 19 Cb 1.04 -0.05 -0.04 0.00 -0.00 0.00 0.00 38.32 39.27 1jww h ASN 19 CO -0.30 0.19 0.53 -0.09 -0.00 0.00 0.00 177.43 177.76 1jww h ARG 20 N 0.41 1.11 -0.43 6.67 9.65 -1.26 -1.91 114.38 128.61 1jww h ARG 20 Ca 0.41 -0.08 0.08 0.00 -1.10 0.00 0.00 59.98 59.29 1jww h ARG 20 Cb 0.97 -0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 29.23 1jww h ARG 20 CO -0.14 0.75 -0.03 0.82 2.80 0.00 0.00 179.97 184.17 1jww h ILE 21 N 1.13 0.64 -0.66 1.20 1.08 -0.92 0.25 117.51 120.23 1jww h ILE 21 Ca 0.30 -0.03 0.13 0.00 -0.39 0.00 0.00 64.86 64.88 1jww h ILE 21 Cb -0.10 0.56 -0.13 0.00 -3.07 0.00 0.00 36.82 34.08 1jww h ILE 21 CO -0.06 0.01 -0.20 -0.33 -0.69 0.00 0.00 178.15 176.89 1jww h GLU 22 N 0.08 -0.03 -0.12 2.37 5.08 -1.34 0.42 114.58 121.04 1jww h GLU 22 Ca 0.21 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1jww h GLU 22 Cb 0.31 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jww h GLU 22 CO -0.38 -0.02 -0.17 0.87 -1.00 0.00 0.00 179.01 178.31 1jww h LYS 23 N -0.03 0.33 -0.09 2.33 6.56 -1.47 0.22 116.57 124.42 1jww h LYS 23 Ca 0.31 -0.20 0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1jww h LYS 23 Cb 0.50 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1jww h LYS 23 CO -0.69 0.77 0.08 0.00 -2.06 0.00 0.00 179.45 177.55 1jww h ARG 24 N -0.08 0.00 0.12 3.15 2.47 0.51 -0.23 114.38 120.32 1jww h ARG 24 Ca 0.01 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.37 1jww h ARG 24 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 1jww h ARG 24 CO 0.04 0.00 -1.96 1.28 0.56 0.00 0.00 179.97 179.89 1jww n LEU 25 N -4.12 2.51 0.22 3.04 4.77 0.13 -4.00 117.00 119.56 1jww n LEU 25 Ca -0.01 0.23 0.16 0.00 -0.03 0.00 0.00 56.01 56.37 1jww n LEU 25 Cb 0.19 -1.04 0.84 0.00 -2.33 0.00 0.00 43.42 41.07 1jww n LEU 25 CO 0.30 0.82 1.14 -1.13 -1.33 0.00 0.00 177.39 177.20 1jww h ASN 26 N 0.07 0.00 -0.89 -1.43 -1.24 0.16 0.14 115.58 112.39 1jww h ASN 26 Ca -0.41 0.00 0.13 0.00 0.71 0.00 0.00 56.30 56.73 1jww h ASN 26 Cb 2.04 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 41.02 1jww h ASN 26 CO 0.09 0.00 0.57 0.11 -1.29 0.00 0.00 177.43 176.92 1jww h LYS 27 N 0.00 0.70 -6.45 6.67 1.79 -1.20 -3.42 116.57 114.66 1jww h LYS 27 Ca 0.07 -0.04 -0.60 0.00 -2.18 0.00 0.00 60.65 57.90 1jww h LYS 27 Cb 0.39 -0.16 0.05 0.00 -1.58 0.00 0.00 32.23 30.93 1jww h LYS 27 CO -0.00 0.46 0.80 -0.89 -1.08 0.00 0.00 179.45 178.74 1jww n ILE 28 N -4.56 0.07 -0.01 1.86 2.08 0.47 -4.91 119.36 114.36 1jww n ILE 28 Ca 0.17 -0.01 -0.13 0.00 0.56 0.00 0.00 62.75 63.34 1jww n ILE 28 Cb 0.44 -1.50 -0.09 0.00 -0.75 0.00 0.00 39.64 37.74 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 6.16 0.04 -1.97 0.38 4.57 -1.87 -3.25 114.58 118.64 1jww h GLU 29 Ca -0.46 -0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.50 1jww h GLU 29 Cb 1.26 -0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.78 1jww h GLU 29 CO 0.88 0.45 -0.13 0.41 -1.18 0.00 0.00 179.01 179.44 1jww n GLY 30 N 0.04 3.19 3.67 1.92 0.00 -1.26 -4.86 105.19 107.89 1jww n GLY 30 Ca -0.08 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 0.04 3.81 -0.01 1.61 0.11 -1.23 -0.41 120.40 124.32 1jww s VAL 31 Ca 0.50 -1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1jww s VAL 31 Cb 0.26 -2.89 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 1jww s VAL 31 CO -0.04 -0.06 -0.04 0.00 -3.33 0.00 0.00 175.10 171.64 1jww n ALA 32 N 0.03 2.81 -3.10 1.54 0.00 -0.07 -4.92 120.51 116.80 1jww n ALA 32 Ca -0.10 -0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1jww n ALA 32 Cb 0.54 0.42 -0.10 0.00 0.00 0.00 0.00 19.45 20.31 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 -5.40 0.03 -0.39 0.00 0.01 -0.33 -5.00 114.94 103.86 1jww s ASN 33 Ca -0.04 -0.22 0.12 0.00 -0.71 0.00 0.00 52.86 52.02 1jww s ASN 33 Cb 0.01 0.20 0.36 0.00 0.41 0.00 0.00 41.25 42.24 1jww s ASN 33 CO 0.05 -0.37 0.79 0.00 -1.51 0.00 0.00 177.10 176.06 1jww n ALA 34 N 1.45 2.52 -2.18 0.60 0.00 -1.26 -0.30 120.51 121.34 1jww n ALA 34 Ca -0.23 -3.52 -0.40 0.00 0.00 0.00 0.00 53.44 49.30 1jww n ALA 34 Cb 0.55 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 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 0.17 2.65 -1.36 0.00 -0.04 -1.08 -4.61 135.00 130.72 1jww n PRO 35 Ca 0.24 -2.86 -0.35 0.00 -0.04 0.00 0.00 63.50 60.49 1jww n PRO 35 Cb 0.65 -3.46 0.10 0.00 -0.04 0.00 0.00 33.50 30.76 1jww n PRO 35 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jww n VAL 36 N 6.41 3.24 -3.77 0.52 0.24 -1.25 -4.11 118.33 119.60 1jww n VAL 36 Ca 0.49 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 62.11 1jww n VAL 36 Cb 0.44 -1.31 -0.05 0.00 -1.47 0.00 0.00 33.84 31.45 1jww n VAL 36 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jww s ASN 37 N -1.80 6.49 -0.32 -1.34 0.01 -0.39 -4.90 114.94 112.68 1jww s ASN 37 Ca 0.77 0.56 0.10 0.00 -0.71 0.00 0.00 52.86 53.58 1jww s ASN 37 Cb -0.33 -2.09 0.46 0.00 0.41 0.00 0.00 41.25 39.70 1jww s ASN 37 CO 0.47 0.29 1.14 2.22 -1.51 0.00 0.00 177.10 179.70 1jww n PHE 38 N 1.30 2.49 0.00 2.20 -1.74 -1.26 -4.37 117.46 116.08 1jww n PHE 38 Ca -0.13 -2.45 0.00 0.00 -0.56 0.00 0.00 57.45 54.31 1jww n PHE 38 Cb 0.53 -0.27 0.00 0.00 1.52 0.00 0.00 39.48 41.27 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 -0.59 0.00 0.22 1.98 0.00 -1.26 -4.35 120.51 116.51 1jww n ALA 39 Ca 0.33 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1jww n ALA 39 Cb 0.86 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.63 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 -1.67 0.00 3.38 -1.99 -3.48 115.31 111.55 1jww h LEU 40 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1jww h LEU 40 Cb 0.00 0.00 0.14 0.00 0.09 0.00 0.00 40.66 40.89 1jww h LEU 40 CO 0.00 0.10 -0.62 -0.62 0.09 0.00 0.00 178.44 177.39 1jww n GLU 41 N -3.16 -5.46 -3.94 1.13 1.02 -1.26 -5.03 120.64 103.94 1jww n GLU 41 Ca 0.02 0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 57.69 1jww n GLU 41 Cb 0.49 -5.25 -0.16 0.00 -0.02 0.00 0.00 31.44 26.50 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 -3.29 0.18 0.08 2.62 -4.23 -1.26 -3.04 115.64 106.69 1jww s THR 42 Ca 0.03 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 1jww s THR 42 Cb -0.01 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.52 1jww s THR 42 CO 0.59 0.13 0.43 -0.69 -0.54 0.00 0.00 174.62 174.54 1jww s VAL 43 N 0.82 5.04 -0.09 2.29 1.01 -0.17 -1.27 120.40 128.03 1jww s VAL 43 Ca -0.08 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1jww s VAL 43 Cb -0.11 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1jww s VAL 43 CO -0.01 0.33 -0.08 -0.89 0.00 0.00 0.00 175.10 174.45 1jww s THR 44 N -1.36 0.94 0.11 3.92 2.01 -1.26 -0.75 115.64 119.26 1jww s THR 44 Ca 0.32 -0.27 0.10 0.00 0.31 0.00 0.00 61.69 62.15 1jww s THR 44 Cb -0.15 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 1jww s THR 44 CO 0.17 0.34 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 1jww s VAL 45 N 1.43 2.01 -0.30 3.82 1.01 0.15 -2.64 120.40 125.88 1jww s VAL 45 Ca -0.01 -1.65 -0.00 0.00 0.00 0.00 0.00 61.98 60.32 1jww s VAL 45 Cb -0.13 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1jww s VAL 45 CO -0.05 0.03 -0.01 -0.70 0.00 0.00 0.00 175.10 174.38 1jww s GLU 46 N -1.96 2.30 0.15 2.72 2.12 0.59 -0.61 118.70 124.01 1jww s GLU 46 Ca 0.11 -1.36 -0.08 0.00 0.36 0.00 0.00 54.97 54.00 1jww s GLU 46 Cb -0.10 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1jww s GLU 46 CO 0.05 -0.66 0.25 1.52 -0.54 0.00 0.00 175.26 175.88 1jww s TYR 47 N 1.19 0.42 -0.17 5.30 1.13 -0.19 -0.89 117.35 124.15 1jww s TYR 47 Ca -0.04 -0.79 -0.15 0.00 -1.41 0.00 0.00 57.07 54.67 1jww s TYR 47 Cb -0.20 -0.10 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 1jww s TYR 47 CO -0.03 -0.68 0.36 0.54 -2.51 0.00 0.00 175.55 173.24 1jww s ASN 48 N -2.96 6.48 -1.03 -0.18 2.20 0.45 -0.32 114.94 119.57 1jww s ASN 48 Ca 0.16 0.56 -0.08 0.00 -0.94 0.00 0.00 52.86 52.57 1jww s ASN 48 Cb 0.04 -2.22 -0.12 0.00 -2.00 0.00 0.00 41.25 36.95 1jww s ASN 48 CO -0.01 0.02 2.87 -0.81 -2.94 0.00 0.00 177.10 176.23 1jww n PRO 49 N 3.89 2.84 0.00 3.55 -0.04 -1.26 -3.79 135.00 140.19 1jww n PRO 49 Ca -0.10 -1.68 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1jww n PRO 49 Cb 0.52 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.42 0.00 -0.07 0.54 -0.00 -1.26 -4.92 118.16 115.87 1jww n LYS 50 Ca 0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.85 1jww n LYS 50 Cb 0.37 -0.61 -0.03 0.00 -0.00 0.00 0.00 35.03 34.76 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 -2.63 0.46 -3.98 -1.58 0.00 -1.25 -5.01 120.64 106.65 1jww n GLU 51 Ca 0.00 0.54 -0.26 0.00 0.00 0.00 0.00 57.16 57.44 1jww n GLU 51 Cb 0.40 -1.70 -0.03 0.00 0.00 0.00 0.00 31.44 30.10 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 -2.69 4.14 0.40 4.31 0.00 -1.26 -4.96 121.76 121.69 1jww s ALA 52 Ca -0.16 -1.49 0.04 0.00 0.00 0.00 0.00 51.96 50.35 1jww s ALA 52 Cb 0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1jww s ALA 52 CO 0.26 -0.31 0.11 -1.54 0.00 0.00 0.00 175.76 174.28 1jww s SER 53 N -4.13 2.78 0.30 0.00 1.04 -1.26 -4.33 113.70 108.11 1jww s SER 53 Ca 0.35 -1.62 0.05 0.00 0.48 0.00 0.00 55.95 55.20 1jww s SER 53 Cb -0.00 0.41 0.68 0.00 0.10 0.00 0.00 66.02 67.21 1jww s SER 53 CO 0.21 -0.87 1.80 0.58 0.98 0.00 0.00 173.24 175.93 1jww h VAL 54 N 1.82 0.78 -0.79 5.02 2.07 -2.00 -2.29 116.25 120.86 1jww h VAL 54 Ca -0.37 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1jww h VAL 54 Cb 1.27 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1jww h VAL 54 CO 0.60 0.15 0.52 0.28 0.02 0.00 0.00 177.57 179.14 1jww h SER 55 N 0.84 0.79 0.46 0.57 0.02 -1.98 0.84 113.55 115.10 1jww h SER 55 Ca 0.55 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.47 1jww h SER 55 Cb 0.76 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1jww h SER 55 CO -0.34 0.53 -0.22 0.44 -1.14 0.00 0.00 176.83 176.10 1jww h ASP 56 N 0.91 -0.52 -0.72 3.07 5.19 -1.82 -1.78 116.42 120.75 1jww h ASP 56 Ca 0.33 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.65 1jww h ASP 56 Cb 0.14 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 1jww h ASP 56 CO -0.11 -0.11 0.30 0.17 -3.12 0.00 0.00 179.24 176.37 1jww h LEU 57 N -1.09 0.98 -0.96 1.55 8.10 -1.33 0.21 115.31 122.77 1jww h LEU 57 Ca -0.06 -0.17 0.11 0.00 0.11 0.00 0.00 57.88 57.87 1jww h LEU 57 Cb 0.54 -0.25 -0.13 0.00 -0.44 0.00 0.00 40.66 40.38 1jww h LEU 57 CO 0.10 0.88 -0.52 0.50 -4.11 0.00 0.00 178.44 175.29 1jww h LYS 58 N 1.02 -0.03 -0.82 0.17 3.64 -0.93 -0.71 116.57 118.91 1jww h LYS 58 Ca 0.24 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.69 1jww h LYS 58 Cb 0.19 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 1jww h LYS 58 CO -0.02 -0.02 0.49 1.49 -2.27 0.00 0.00 179.45 179.12 1jww h GLU 59 N -0.03 0.84 -0.44 1.90 4.22 0.24 0.39 114.58 121.70 1jww h GLU 59 Ca 0.22 -0.05 0.06 0.00 0.08 0.00 0.00 59.36 59.67 1jww h GLU 59 Cb 0.48 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1jww h GLU 59 CO -0.93 0.56 0.13 0.00 -2.18 0.00 0.00 179.01 176.59 1jww h ALA 60 N 1.41 0.52 -0.51 2.92 0.00 0.16 0.10 119.26 123.86 1jww h ALA 60 Ca 0.37 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1jww h ALA 60 Cb 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1jww h ALA 60 CO -0.20 -0.26 0.02 0.28 0.00 0.00 0.00 179.25 179.08 1jww h VAL 61 N 0.29 1.26 -0.52 0.00 2.07 -0.39 -3.17 116.25 115.80 1jww h VAL 61 Ca 0.21 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.70 1jww h VAL 61 Cb 0.23 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1jww h VAL 61 CO -0.24 0.38 0.29 -0.78 0.02 0.00 0.00 177.57 177.24 1jww h ASP 62 N 0.76 0.46 0.27 0.57 3.58 0.15 -0.26 116.42 121.95 1jww h ASP 62 Ca 0.15 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1jww h ASP 62 Cb 0.50 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1jww h ASP 62 CO 0.02 0.32 -0.17 0.50 -2.88 0.00 0.00 179.24 177.03 1jww h LYS 63 N 0.58 0.00 -0.29 0.28 3.64 -0.95 0.12 116.57 119.95 1jww h LYS 63 Ca 0.21 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.68 1jww h LYS 63 Cb 0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1jww h LYS 63 CO -0.11 0.17 0.23 -0.07 -2.27 0.00 0.00 179.45 177.40 1jww h LEU 64 N 0.00 0.00 0.00 5.20 -0.00 -1.00 -3.46 115.31 116.04 1jww h LEU 64 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1jww h LEU 64 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1jww h LEU 64 CO 0.02 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.07 1jww n GLY 65 N -1.54 3.78 3.91 0.83 0.00 0.40 -5.10 105.19 107.47 1jww n GLY 65 Ca 0.04 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.97 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 3.40 0.31 1.61 -0.85 -1.25 -4.92 117.35 115.64 1jww s TYR 66 Ca 0.00 0.75 0.07 0.00 -0.52 0.00 0.00 57.07 57.37 1jww s TYR 66 Cb 0.00 -2.56 -0.03 0.00 0.38 0.00 0.00 41.96 39.75 1jww s TYR 66 CO 0.00 -0.60 0.27 0.15 -1.52 0.00 0.00 175.55 173.85 1jww s LYS 67 N -4.90 2.79 0.02 -3.49 3.01 -1.11 -3.45 119.74 112.62 1jww s LYS 67 Ca 0.51 -1.22 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 1jww s LYS 67 Cb -0.10 -2.51 -0.02 0.00 -1.01 0.00 0.00 37.83 34.18 1jww s LYS 67 CO 0.46 0.18 -0.03 -1.17 0.51 0.00 0.00 175.35 175.29 1jww s LEU 68 N -3.96 2.21 0.05 3.17 2.96 -1.26 -3.19 118.68 118.65 1jww s LEU 68 Ca 0.39 -0.43 -0.11 0.00 -0.22 0.00 0.00 54.13 53.75 1jww s LEU 68 Cb -0.06 0.07 0.01 0.00 0.50 0.00 0.00 46.19 46.71 1jww s LEU 68 CO 0.26 -0.25 0.24 -0.75 -1.32 0.00 0.00 176.35 174.53 1jww s LYS 69 N -1.26 0.76 0.82 1.98 2.47 -1.16 -4.94 119.74 118.41 1jww s LYS 69 Ca -0.14 -0.61 -0.12 0.00 -1.56 0.00 0.00 55.97 53.55 1jww s LYS 69 Cb -0.09 0.32 0.09 0.00 -1.46 0.00 0.00 37.83 36.70 1jww s LYS 69 CO -0.01 -0.23 1.14 -1.17 0.16 0.00 0.00 175.35 175.24 1jww s LEU 70 N -2.15 3.03 0.00 5.43 2.96 -1.26 -0.07 118.68 126.62 1jww s LEU 70 Ca -0.04 2.12 -0.00 0.00 -0.22 0.00 0.00 54.13 55.99 1jww s LEU 70 Cb -0.00 -4.56 -0.00 0.00 0.50 0.00 0.00 46.19 42.12 1jww s LEU 70 CO -0.04 -2.56 -0.01 1.17 -1.32 0.00 0.00 176.35 173.59 1jww n LYS 71 N -3.61 0.01 0.00 1.98 4.81 0.48 -4.52 118.16 117.32 1jww n LYS 71 Ca 0.11 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1jww n LYS 71 Cb 0.52 -0.20 0.00 0.00 0.02 0.00 0.00 35.03 35.36 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 2.88 0.00 0.98 3.14 0.00 -1.24 -5.04 105.19 105.91 1jww n GLY 72 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1jww n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jww n GLU 73 N 0.00 -2.15 -1.58 1.61 1.02 -1.26 -4.87 120.64 113.41 1jww n GLU 73 Ca 0.00 1.63 -0.30 0.00 -0.02 0.00 0.00 57.16 58.47 1jww n GLU 73 Cb 0.00 -2.56 0.21 0.00 -0.02 0.00 0.00 31.44 29.07 1jww n GLU 73 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jww s GLN 74 N -3.01 -0.10 0.27 3.49 -0.21 -1.26 -4.49 119.66 114.35 1jww s GLN 74 Ca 0.00 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.11 1jww s GLN 74 Cb 0.00 -1.75 0.61 0.00 1.00 0.00 0.00 33.01 32.87 1jww s GLN 74 CO 0.00 -2.93 1.42 -0.25 -2.12 0.00 0.00 175.29 171.41 1jww n ASP 75 N -4.17 -0.18 -3.40 5.90 9.92 -1.26 -4.88 116.55 118.49 1jww n ASP 75 Ca 0.14 1.55 -0.15 0.00 -0.53 0.00 0.00 54.79 55.80 1jww n ASP 75 Cb 0.59 -0.53 0.02 0.00 -0.64 0.00 0.00 41.12 40.56 1jww n ASP 75 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1jww n SER 76 N -5.38 -6.42 0.30 -2.24 7.64 -1.26 -4.87 113.62 101.39 1jww n SER 76 Ca 0.19 -0.58 0.18 0.00 1.01 0.00 0.00 58.87 59.67 1jww n SER 76 Cb 0.62 -4.06 0.93 0.00 -1.01 0.00 0.00 64.21 60.70 1jww n SER 76 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jww h ILE 77 N -0.50 0.18 -3.93 0.44 2.04 -2.05 -3.42 117.51 110.27 1jww h ILE 77 Ca -0.38 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.03 1jww h ILE 77 Cb 1.22 1.23 -0.21 0.00 -0.74 0.00 0.00 36.82 38.32 1jww h ILE 77 CO 0.38 0.03 -0.67 -0.70 0.00 0.00 0.00 178.15 177.19 1jww s GLU 78 N -4.06 0.34 0.00 2.37 2.12 -1.26 -5.14 118.70 113.07 1jww s GLU 78 Ca -0.03 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.70 1jww s GLU 78 Cb 0.12 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1jww s GLU 78 CO 0.50 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 1jww n GLY 79 N 1.55 1.06 1.02 -1.50 0.00 -1.26 -5.14 105.19 100.92 1jww n GLY 79 Ca -0.24 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19