#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 0.04 2.52 -4.23 -1.26 -4.59 115.64 108.79 1jww s THR 2 Ca 0.00 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1jww s THR 2 Cb 0.00 -2.11 -0.02 0.00 1.34 0.00 0.00 72.50 71.70 1jww s THR 2 CO 0.00 -0.48 -0.15 -1.61 -0.54 0.00 0.00 174.62 171.84 1jww s GLU 3 N -3.92 1.01 -0.67 3.99 2.02 0.46 -4.91 118.70 116.69 1jww s GLU 3 Ca 0.24 -0.80 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 1jww s GLU 3 Cb 0.06 -1.05 0.17 0.00 0.10 0.00 0.00 34.13 33.42 1jww s GLU 3 CO 0.04 0.26 0.54 0.15 0.02 0.00 0.00 175.26 176.27 1jww s LYS 4 N -1.18 2.93 0.13 1.61 1.02 -1.26 -0.84 119.74 122.15 1jww s LYS 4 Ca 0.03 -2.36 -0.02 0.00 0.02 0.00 0.00 55.97 53.64 1jww s LYS 4 Cb -0.08 -4.03 -0.05 0.00 -0.52 0.00 0.00 37.83 33.16 1jww s LYS 4 CO 0.01 -1.22 0.32 0.00 -0.92 0.00 0.00 175.35 173.54 1jww s ALA 5 N 0.29 3.88 0.08 5.17 0.00 0.43 -0.78 121.76 130.84 1jww s ALA 5 Ca 0.15 -0.76 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1jww s ALA 5 Cb -0.18 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 1jww s ALA 5 CO -0.05 0.64 -0.21 -1.21 0.00 0.00 0.00 175.76 174.93 1jww s GLU 6 N -2.85 1.25 0.00 0.00 2.02 -1.26 -0.54 118.70 117.32 1jww s GLU 6 Ca 0.38 -1.10 0.01 0.00 0.02 0.00 0.00 54.97 54.28 1jww s GLU 6 Cb -0.12 -1.48 -0.00 0.00 0.10 0.00 0.00 34.13 32.63 1jww s GLU 6 CO 0.27 0.36 -0.03 -0.06 0.02 0.00 0.00 175.26 175.82 1jww s PHE 7 N -1.02 0.28 -0.18 1.61 0.40 0.26 -0.14 117.98 119.20 1jww s PHE 7 Ca 0.07 -0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.24 1jww s PHE 7 Cb -0.10 -0.18 -0.04 0.00 0.51 0.00 0.00 43.02 43.21 1jww s PHE 7 CO 0.03 -0.01 0.07 0.34 0.70 0.00 0.00 175.22 176.35 1jww s ASP 8 N -0.18 5.68 -0.17 1.36 -1.08 0.74 -1.47 116.67 121.56 1jww s ASP 8 Ca 0.00 0.10 -0.03 0.00 -0.52 0.00 0.00 52.55 52.10 1jww s ASP 8 Cb -0.02 -1.98 -0.02 0.00 -1.46 0.00 0.00 42.92 39.45 1jww s ASP 8 CO -0.00 0.18 -0.05 -0.63 0.52 0.00 0.00 175.17 175.18 1jww s ILE 9 N 0.36 3.63 -0.36 4.11 -1.09 -1.25 -3.13 121.20 123.48 1jww s ILE 9 Ca 0.03 -0.44 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1jww s ILE 9 Cb -0.12 -2.60 0.09 0.00 -1.58 0.00 0.00 42.46 38.25 1jww s ILE 9 CO -0.00 0.47 0.09 -1.61 -1.23 0.00 0.00 174.94 172.67 1jww s GLU 10 N 0.68 1.91 0.00 2.79 2.02 -1.15 -4.91 118.70 120.03 1jww s GLU 10 Ca -0.03 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.25 1jww s GLU 10 Cb -0.15 -3.33 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1jww s GLU 10 CO 0.02 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1jww n GLY 11 N 4.47 -0.79 3.58 -1.39 0.00 -1.26 -2.81 105.19 106.98 1jww n GLY 11 Ca -0.03 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 0.50 -0.43 1.61 0.23 -1.26 -5.07 119.30 114.88 1jww s MET 12 Ca 0.00 1.17 0.08 0.00 -1.03 0.00 0.00 55.69 55.91 1jww s MET 12 Cb 0.00 0.61 0.35 0.00 -1.53 0.00 0.00 34.83 34.26 1jww s MET 12 CO 0.00 -0.16 1.19 -2.37 -2.03 0.00 0.00 175.02 171.66 1jww n THR 13 N 5.05 0.01 -2.71 3.16 5.66 -1.26 -4.67 114.28 119.52 1jww n THR 13 Ca -0.13 -1.62 -0.09 0.00 -3.05 0.00 0.00 64.05 59.16 1jww n THR 13 Cb 0.52 1.25 0.06 0.00 -1.55 0.00 0.00 70.33 70.61 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww n ALA 15 N -0.22 0.00 -0.05 0.00 0.00 -1.26 -4.93 120.51 114.04 1jww n ALA 15 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 1jww n ALA 15 Cb 0.82 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.31 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 0.71 0.21 0.00 0.00 -1.99 -2.80 119.26 115.40 1jww h ALA 16 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.46 1jww h ALA 16 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1jww h ALA 16 CO 0.00 0.66 -0.38 0.00 0.00 0.00 0.00 179.25 179.53 1jww h ALA 18 N -0.17 -0.23 -0.99 0.00 0.00 -1.75 0.14 119.26 116.26 1jww h ALA 18 Ca 0.01 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1jww h ALA 18 Cb 0.66 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 1jww h ALA 18 CO -0.17 -0.72 0.63 -0.97 0.00 0.00 0.00 179.25 178.02 1jww h ASN 19 N -0.30 0.97 0.19 0.00 -1.24 -1.26 -1.73 115.58 112.21 1jww h ASN 19 Ca 0.13 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1jww h ASN 19 Cb 0.50 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 1jww h ASN 19 CO -0.40 0.58 -0.13 0.03 -1.29 0.00 0.00 177.43 176.22 1jww h ARG 20 N 1.08 -0.31 -0.66 6.67 -0.00 0.11 -2.96 114.38 118.31 1jww h ARG 20 Ca 0.45 0.02 0.13 0.00 -0.50 0.00 0.00 59.98 60.08 1jww h ARG 20 Cb 0.30 0.07 -0.13 0.00 0.00 0.00 0.00 29.97 30.21 1jww h ARG 20 CO -0.21 -0.21 -0.21 0.82 0.00 0.00 0.00 179.97 180.16 1jww h ILE 21 N -0.32 0.28 -0.86 2.04 2.04 -0.12 0.17 117.51 120.74 1jww h ILE 21 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 1jww h ILE 21 Cb 0.28 0.28 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1jww h ILE 21 CO 0.01 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 177.33 1jww h GLU 22 N -0.04 -0.08 -0.10 2.37 5.08 -1.32 0.60 114.58 121.09 1jww h GLU 22 Ca 0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1jww h GLU 22 Cb 0.51 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jww h GLU 22 CO -0.70 -0.05 -0.03 0.87 -1.00 0.00 0.00 179.01 178.11 1jww h LYS 23 N -0.08 0.20 -0.01 2.33 1.79 -1.44 0.16 116.57 119.51 1jww h LYS 23 Ca 0.21 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1jww h LYS 23 Cb 0.51 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1jww h LYS 23 CO -0.87 0.51 0.04 0.00 -1.08 0.00 0.00 179.45 178.05 1jww h ARG 24 N -0.12 0.00 0.09 3.15 2.47 0.44 -0.26 114.38 120.14 1jww h ARG 24 Ca 0.03 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.38 1jww h ARG 24 Cb 0.44 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.73 1jww h ARG 24 CO 0.01 0.00 -2.05 1.28 0.56 0.00 0.00 179.97 179.77 1jww n LEU 25 N -3.30 2.63 -0.06 3.04 4.77 0.20 -4.14 117.00 120.13 1jww n LEU 25 Ca -0.03 0.16 0.24 0.00 -0.03 0.00 0.00 56.01 56.36 1jww n LEU 25 Cb 0.12 -1.06 0.72 0.00 -2.33 0.00 0.00 43.42 40.87 1jww n LEU 25 CO 0.22 0.82 1.22 -1.13 -1.33 0.00 0.00 177.39 177.19 1jww h ASN 26 N -0.06 0.00 -0.89 -1.43 -0.73 0.30 0.16 115.58 112.93 1jww h ASN 26 Ca -0.46 0.00 0.24 0.00 1.87 0.00 0.00 56.30 57.95 1jww h ASN 26 Cb 1.94 0.00 -0.15 0.00 0.27 0.00 0.00 38.32 40.38 1jww h ASN 26 CO 0.01 0.00 0.22 0.11 -0.37 0.00 0.00 177.43 177.40 1jww h LYS 27 N 0.00 0.17 -6.45 6.67 1.79 -1.24 -3.42 116.57 114.09 1jww h LYS 27 Ca 0.32 -0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 58.19 1jww h LYS 27 Cb 1.41 -0.04 0.05 0.00 -1.58 0.00 0.00 32.23 32.07 1jww h LYS 27 CO -0.00 0.11 0.85 -0.89 -1.08 0.00 0.00 179.45 178.44 1jww n ILE 28 N -5.26 0.11 0.08 1.86 2.08 0.57 -4.92 119.36 113.88 1jww n ILE 28 Ca 0.22 -0.02 -0.13 0.00 0.56 0.00 0.00 62.75 63.38 1jww n ILE 28 Cb 0.71 -1.58 -0.08 0.00 -0.75 0.00 0.00 39.64 37.93 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 6.52 -0.18 -1.83 0.38 3.07 -1.88 -3.18 114.58 117.48 1jww h GLU 29 Ca -0.46 0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.29 1jww h GLU 29 Cb 1.26 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.16 1jww h GLU 29 CO 0.90 0.09 0.15 0.41 -1.40 0.00 0.00 179.01 179.15 1jww n GLY 30 N -0.47 3.12 3.91 -3.84 0.00 -1.26 -4.86 105.19 101.79 1jww n GLY 30 Ca -0.09 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.83 5.37 -0.05 1.61 0.11 -1.20 -0.46 120.40 124.94 1jww s VAL 31 Ca 0.14 -0.24 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 1jww s VAL 31 Cb 0.10 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1jww s VAL 31 CO -0.00 0.19 -0.15 0.00 -3.33 0.00 0.00 175.10 171.81 1jww n ALA 32 N 0.49 2.17 -2.52 1.54 0.00 0.65 -4.96 120.51 117.87 1jww n ALA 32 Ca -0.07 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 52.91 1jww n ALA 32 Cb 0.52 0.22 -0.09 0.00 0.00 0.00 0.00 19.45 20.09 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 -5.98 0.28 -0.39 0.00 0.01 -0.72 -5.01 114.94 103.12 1jww s ASN 33 Ca -0.13 -0.70 0.11 0.00 -0.71 0.00 0.00 52.86 51.43 1jww s ASN 33 Cb 0.03 0.22 0.33 0.00 0.41 0.00 0.00 41.25 42.24 1jww s ASN 33 CO 0.18 -0.54 0.77 0.00 -1.51 0.00 0.00 177.10 176.00 1jww n ALA 34 N 0.54 1.57 -1.78 0.60 0.00 -1.26 -0.49 120.51 119.69 1jww n ALA 34 Ca -0.17 -3.07 -0.42 0.00 0.00 0.00 0.00 53.44 49.77 1jww n ALA 34 Cb 0.59 -0.96 -0.01 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 0.45 2.71 -1.59 0.00 -0.04 -1.21 -4.64 135.00 130.69 1jww n PRO 35 Ca 0.21 -2.60 -0.34 0.00 -0.04 0.00 0.00 63.50 60.73 1jww n PRO 35 Cb 0.65 -3.28 0.08 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.71 2.51 0.11 0.52 -7.23 -1.26 -4.46 120.40 114.29 1jww s VAL 36 Ca 0.50 0.26 -0.20 0.00 -1.81 0.00 0.00 61.98 60.73 1jww s VAL 36 Cb 0.12 -2.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.13 1jww s VAL 36 CO -0.04 -0.13 0.61 0.20 -0.31 0.00 0.00 175.10 175.44 1jww s ASN 37 N -2.04 7.10 -0.38 4.85 0.01 -0.32 -4.95 114.94 119.21 1jww s ASN 37 Ca 0.74 1.32 0.05 0.00 -0.71 0.00 0.00 52.86 54.26 1jww s ASN 37 Cb -0.28 -2.38 0.46 0.00 0.41 0.00 0.00 41.25 39.46 1jww s ASN 37 CO 0.42 0.23 1.41 2.22 -1.51 0.00 0.00 177.10 179.88 1jww n PHE 38 N 1.55 2.72 0.00 2.20 -1.74 -1.26 -4.45 117.46 116.48 1jww n PHE 38 Ca -0.09 -2.37 0.00 0.00 -0.56 0.00 0.00 57.45 54.44 1jww n PHE 38 Cb 0.50 -0.61 0.00 0.00 1.52 0.00 0.00 39.48 40.89 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 -0.79 0.00 0.28 1.98 0.00 -1.24 -4.51 120.51 116.22 1jww n ALA 39 Ca 0.47 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.06 1jww n ALA 39 Cb 0.89 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.79 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 -1.93 0.00 3.38 -1.87 -3.47 115.31 111.41 1jww h LEU 40 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 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 0.00 -0.62 -0.62 0.09 0.00 0.00 178.44 177.29 1jww n GLU 41 N -3.00 -4.33 -3.75 1.13 1.02 -1.26 -5.05 120.64 105.40 1jww n GLU 41 Ca 0.02 0.66 -0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1jww n GLU 41 Cb 0.40 -5.06 -0.14 0.00 -0.02 0.00 0.00 31.44 26.62 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 -0.05 0.04 2.62 -4.23 -1.26 -3.80 115.64 105.67 1jww s THR 42 Ca 0.09 0.17 -0.01 0.00 -1.18 0.00 0.00 61.69 60.76 1jww s THR 42 Cb -0.01 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1jww s THR 42 CO 0.57 0.07 0.19 -0.69 -0.54 0.00 0.00 174.62 174.22 1jww s VAL 43 N 1.15 5.33 -0.04 2.29 1.01 -0.54 -1.18 120.40 128.42 1jww s VAL 43 Ca -0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1jww s VAL 43 Cb -0.11 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1jww s VAL 43 CO -0.06 0.21 -0.01 -0.89 0.00 0.00 0.00 175.10 174.35 1jww s THR 44 N -1.43 0.29 -0.08 3.92 2.01 -1.26 -0.58 115.64 118.51 1jww s THR 44 Ca 0.32 0.07 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1jww s THR 44 Cb -0.13 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.01 1jww s THR 44 CO 0.24 0.20 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.62 1jww s VAL 45 N 1.32 0.79 -0.70 3.82 1.01 0.29 -3.32 120.40 123.61 1jww s VAL 45 Ca -0.05 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.54 1jww s VAL 45 Cb -0.13 -0.83 0.09 0.00 0.00 0.00 0.00 36.38 35.51 1jww s VAL 45 CO -0.02 0.31 0.96 -1.61 0.00 0.00 0.00 175.10 174.74 1jww s GLU 46 N 1.51 3.19 0.08 2.72 8.01 0.36 -0.43 118.70 134.15 1jww s GLU 46 Ca -0.00 -1.07 -0.03 0.00 0.01 0.00 0.00 54.97 53.88 1jww s GLU 46 Cb -0.13 -4.36 -0.03 0.00 -4.31 0.00 0.00 34.13 25.29 1jww s GLU 46 CO -0.04 -1.77 0.05 1.52 0.01 0.00 0.00 175.26 175.02 1jww s TYR 47 N 3.63 0.55 -0.03 1.61 1.13 -0.02 -0.25 117.35 123.97 1jww s TYR 47 Ca 0.23 -1.02 -0.17 0.00 -1.41 0.00 0.00 57.07 54.70 1jww s TYR 47 Cb -0.16 -0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 40.31 1jww s TYR 47 CO 0.06 -0.46 0.46 0.54 -2.51 0.00 0.00 175.55 173.63 1jww s ASN 48 N -2.95 6.80 -0.49 -0.18 2.20 0.39 -0.40 114.94 120.32 1jww s ASN 48 Ca 0.12 0.95 -0.07 0.00 -0.94 0.00 0.00 52.86 52.92 1jww s ASN 48 Cb 0.07 -2.28 -0.21 0.00 -2.00 0.00 0.00 41.25 36.83 1jww s ASN 48 CO -0.06 0.20 3.41 -0.81 -2.94 0.00 0.00 177.10 176.90 1jww n PRO 49 N 2.49 2.49 0.00 3.55 -0.04 -1.26 -3.83 135.00 138.40 1jww n PRO 49 Ca -0.11 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.00 1jww n PRO 49 Cb 0.52 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 2.83 -0.11 0.04 0.54 -0.00 -1.26 -4.94 118.16 115.26 1jww n LYS 50 Ca 0.53 -0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 1jww n LYS 50 Cb 0.71 -0.60 0.00 0.00 -0.00 0.00 0.00 35.03 35.13 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 -0.01 0.00 -3.70 -1.58 4.07 -1.25 -5.07 120.64 113.10 1jww n GLU 51 Ca 0.00 0.00 -0.19 0.00 -0.06 0.00 0.00 57.16 56.91 1jww n GLU 51 Cb 0.23 -0.04 -0.05 0.00 -0.06 0.00 0.00 31.44 31.52 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 -2.83 0.34 -2.31 4.31 0.00 -1.26 -4.90 120.51 113.85 1jww n ALA 52 Ca 0.00 -1.46 -0.17 0.00 0.00 0.00 0.00 53.44 51.81 1jww n ALA 52 Cb 0.03 0.89 -0.10 0.00 0.00 0.00 0.00 19.45 20.27 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 -2.78 1.21 0.20 0.00 1.04 -1.26 -4.59 113.70 107.52 1jww s SER 53 Ca 0.07 -1.44 -0.15 0.00 0.48 0.00 0.00 55.95 54.91 1jww s SER 53 Cb 0.00 0.26 0.19 0.00 0.10 0.00 0.00 66.02 66.57 1jww s SER 53 CO 0.05 -0.79 1.63 0.58 0.98 0.00 0.00 173.24 175.69 1jww h VAL 54 N 2.35 0.40 -0.33 5.02 2.07 -1.99 0.11 116.25 123.88 1jww h VAL 54 Ca -0.37 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1jww h VAL 54 Cb 1.25 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1jww h VAL 54 CO 0.57 0.00 0.22 0.28 0.02 0.00 0.00 177.57 178.66 1jww h SER 55 N -0.02 0.36 0.44 0.57 0.02 -1.98 -0.35 113.55 112.59 1jww h SER 55 Ca 0.27 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1jww h SER 55 Cb 0.43 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1jww h SER 55 CO -0.59 0.26 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.36 1jww h ASP 56 N 0.42 -0.51 -0.27 3.07 1.82 -1.67 -3.21 116.42 116.08 1jww h ASP 56 Ca 0.12 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1jww h ASP 56 Cb -0.01 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1jww h ASP 56 CO -0.03 -0.08 0.15 0.17 -1.61 0.00 0.00 179.24 177.84 1jww h LEU 57 N -1.14 0.34 -2.00 2.28 8.10 -0.65 0.15 115.31 122.39 1jww h LEU 57 Ca -0.06 -0.09 0.31 0.00 0.11 0.00 0.00 57.88 58.15 1jww h LEU 57 Cb 0.48 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 40.57 1jww h LEU 57 CO 0.10 0.33 0.77 0.07 -4.11 0.00 0.00 178.44 175.60 1jww h LYS 58 N 0.32 0.00 -0.76 0.17 5.09 -1.24 0.57 116.57 120.71 1jww h LYS 58 Ca 0.09 0.00 0.09 0.00 0.09 0.00 0.00 60.65 60.92 1jww h LYS 58 Cb 0.07 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.35 1jww h LYS 58 CO -0.01 0.00 0.50 1.49 -2.09 0.00 0.00 179.45 179.33 1jww h GLU 59 N 0.00 0.69 -0.02 0.07 4.81 -0.70 0.23 114.58 119.67 1jww h GLU 59 Ca 0.50 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1jww h GLU 59 Cb 2.04 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 1jww h GLU 59 CO -0.01 0.46 -0.02 0.00 -0.73 0.00 0.00 179.01 178.72 1jww h ALA 60 N 1.61 0.00 0.01 2.92 0.00 -0.94 0.22 119.26 123.09 1jww h ALA 60 Ca 0.34 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1jww h ALA 60 Cb 0.40 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jww h ALA 60 CO -0.12 -0.51 -0.01 0.28 0.00 0.00 0.00 179.25 178.89 1jww h VAL 61 N -0.02 1.07 -0.96 0.00 2.07 -1.44 -0.27 116.25 116.71 1jww h VAL 61 Ca 0.01 -0.26 0.15 0.00 0.82 0.00 0.00 66.70 67.41 1jww h VAL 61 Cb 0.04 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 1jww h VAL 61 CO -0.03 0.07 0.57 -0.78 0.02 0.00 0.00 177.57 177.42 1jww h ASP 62 N -0.13 0.78 -0.01 0.57 1.82 -0.25 0.87 116.42 120.07 1jww h ASP 62 Ca -0.00 0.07 -0.22 0.00 -0.39 0.00 0.00 57.03 56.49 1jww h ASP 62 Cb 0.13 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.07 1jww h ASP 62 CO 0.00 0.36 -0.82 0.50 -1.61 0.00 0.00 179.24 177.67 1jww h LYS 63 N 0.83 0.67 -0.90 0.28 1.63 -0.41 -2.20 116.57 116.47 1jww h LYS 63 Ca 0.51 -0.59 0.11 0.00 -0.85 0.00 0.00 60.65 59.83 1jww h LYS 63 Cb 0.64 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.32 1jww h LYS 63 CO -0.32 1.20 0.53 -0.07 -3.45 0.00 0.00 179.45 177.34 1jww h LEU 64 N 0.44 0.76 0.00 5.20 3.38 0.34 -3.47 115.31 121.97 1jww h LEU 64 Ca -0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jww h LEU 64 Cb 1.45 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1jww h LEU 64 CO 0.16 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1jww n GLY 65 N -1.33 2.25 3.82 0.83 0.00 0.17 -5.09 105.19 105.83 1jww n GLY 65 Ca 0.16 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 3.18 0.21 1.61 1.13 -1.24 -4.80 117.35 117.43 1jww s TYR 66 Ca 0.00 1.45 0.05 0.00 -1.41 0.00 0.00 57.07 57.16 1jww s TYR 66 Cb 0.00 -2.89 -0.03 0.00 -1.10 0.00 0.00 41.96 37.93 1jww s TYR 66 CO 0.00 -0.99 0.24 0.15 -2.51 0.00 0.00 175.55 172.44 1jww s LYS 67 N -4.56 3.16 0.04 -3.49 1.02 -1.12 -2.65 119.74 112.14 1jww s LYS 67 Ca 0.60 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.78 1jww s LYS 67 Cb -0.14 -2.75 -0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1jww s LYS 67 CO 0.45 0.45 -0.09 -1.17 -0.92 0.00 0.00 175.35 174.07 1jww s LEU 68 N -3.58 2.20 0.06 3.17 2.96 -1.26 -2.92 118.68 119.31 1jww s LEU 68 Ca 0.33 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.62 1jww s LEU 68 Cb -0.09 -0.31 0.03 0.00 0.50 0.00 0.00 46.19 46.32 1jww s LEU 68 CO 0.26 -0.10 0.38 -0.54 -1.32 0.00 0.00 176.35 175.04 1jww s LYS 69 N -1.26 0.93 0.80 1.98 -0.14 -1.18 -4.91 119.74 115.96 1jww s LYS 69 Ca -0.05 -0.48 -0.11 0.00 -1.36 0.00 0.00 55.97 53.97 1jww s LYS 69 Cb -0.08 0.41 0.08 0.00 -1.68 0.00 0.00 37.83 36.55 1jww s LYS 69 CO 0.01 -0.32 1.12 -1.17 -0.76 0.00 0.00 175.35 174.22 1jww s LEU 70 N -2.21 3.04 -0.01 3.17 2.96 -1.26 -0.19 118.68 124.18 1jww s LEU 70 Ca -0.03 1.99 -0.05 0.00 -0.22 0.00 0.00 54.13 55.81 1jww s LEU 70 Cb -0.00 -4.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.12 1jww s LEU 70 CO -0.05 -2.33 -0.11 1.17 -1.32 0.00 0.00 176.35 173.71 1jww n LYS 71 N -3.56 0.17 0.00 1.98 4.81 0.81 -4.48 118.16 117.89 1jww n LYS 71 Ca 0.10 0.07 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1jww n LYS 71 Cb 0.52 -0.80 0.00 0.00 0.02 0.00 0.00 35.03 34.78 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 2.75 -2.27 3.82 3.14 0.00 -1.21 -5.04 105.19 106.38 1jww n GLY 72 Ca -0.08 0.73 -0.04 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 -0.03 1.37 -0.20 1.61 -1.05 -1.26 -4.34 118.70 114.80 1jww s GLU 73 Ca 0.00 -0.83 -0.40 0.00 -0.15 0.00 0.00 54.97 53.59 1jww s GLU 73 Cb 0.00 0.41 -0.17 0.00 -0.44 0.00 0.00 34.13 33.94 1jww s GLU 73 CO 0.00 -0.64 1.59 0.00 0.95 0.00 0.00 175.26 177.17 1jww n GLN 74 N -0.58 0.97 -4.39 -4.83 -0.00 0.04 -4.27 117.38 104.31 1jww n GLN 74 Ca -0.05 0.36 -0.26 0.00 -0.00 0.00 0.00 57.00 57.04 1jww n GLN 74 Cb 0.60 -2.00 -0.13 0.00 -0.00 0.00 0.00 30.24 28.71 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 2.54 2.85 -0.02 2.61 -1.08 -1.26 -5.00 116.67 117.31 1jww s ASP 75 Ca 0.95 -0.69 -0.02 0.00 -0.52 0.00 0.00 52.55 52.27 1jww s ASP 75 Cb -1.10 -0.18 0.00 0.00 -1.46 0.00 0.00 42.92 40.19 1jww s ASP 75 CO 0.62 0.12 0.06 -0.55 0.52 0.00 0.00 175.17 175.94 1jww s SER 76 N -1.86 -0.04 0.00 -0.34 0.15 -1.26 -4.81 113.70 105.54 1jww s SER 76 Ca 0.10 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1jww s SER 76 Cb -0.10 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1jww s SER 76 CO 0.05 -0.05 0.00 -0.38 1.20 0.00 0.00 173.24 174.05 1jww n ILE 77 N 2.89 0.00 -3.26 6.45 5.41 -1.26 -3.44 119.36 126.15 1jww n ILE 77 Ca -0.13 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.49 1jww n ILE 77 Cb 0.59 -0.52 0.04 0.00 -0.71 0.00 0.00 39.64 39.04 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 -0.96 -1.80 0.00 0.38 2.13 -1.26 -4.91 120.64 114.22 1jww n GLU 78 Ca 0.00 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1jww n GLU 78 Cb 0.22 -5.49 0.00 0.00 0.27 0.00 0.00 31.44 26.44 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 -1.48 -1.73 0.00 8.31 0.00 -1.22 -5.21 105.19 103.86 1jww n GLY 79 Ca -0.06 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86