#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 2.58 -0.04 1.55 -4.23 -1.26 -4.65 115.64 109.59 1jww s THR 2 Ca 0.00 -1.73 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 1jww s THR 2 Cb 0.00 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.88 1jww s THR 2 CO 0.00 -0.09 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.23 1jww s GLU 3 N -3.86 1.62 -0.36 3.99 2.02 0.84 -4.92 118.70 118.03 1jww s GLU 3 Ca 0.39 -0.56 -0.26 0.00 0.02 0.00 0.00 54.97 54.56 1jww s GLU 3 Cb 0.01 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.83 1jww s GLU 3 CO 0.22 0.23 0.94 0.15 0.02 0.00 0.00 175.26 176.83 1jww s LYS 4 N 0.04 3.87 0.04 1.61 -0.14 -1.26 -1.35 119.74 122.55 1jww s LYS 4 Ca -0.03 0.63 0.06 0.00 -1.36 0.00 0.00 55.97 55.28 1jww s LYS 4 Cb -0.11 -3.80 -0.03 0.00 -1.68 0.00 0.00 37.83 32.21 1jww s LYS 4 CO 0.02 -0.95 -0.15 0.00 -0.76 0.00 0.00 175.35 173.51 1jww s ALA 5 N 3.50 2.69 0.14 5.17 0.00 0.20 -4.45 121.76 129.01 1jww s ALA 5 Ca 0.39 -1.16 0.11 0.00 0.00 0.00 0.00 51.96 51.29 1jww s ALA 5 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1jww s ALA 5 CO 0.18 0.58 -0.25 -1.21 0.00 0.00 0.00 175.76 175.07 1jww s GLU 6 N -1.48 1.48 -0.01 0.00 2.02 -1.16 -0.76 118.70 118.79 1jww s GLU 6 Ca 0.15 -1.36 -0.00 0.00 0.02 0.00 0.00 54.97 53.78 1jww s GLU 6 Cb -0.11 -1.92 0.01 0.00 0.10 0.00 0.00 34.13 32.21 1jww s GLU 6 CO 0.06 0.44 0.01 -0.06 0.02 0.00 0.00 175.26 175.74 1jww s PHE 7 N -1.18 0.00 -0.12 1.61 0.40 0.32 -0.42 117.98 118.59 1jww s PHE 7 Ca 0.16 0.06 -0.11 0.00 -0.60 0.00 0.00 56.93 56.43 1jww s PHE 7 Cb -0.10 -0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.31 1jww s PHE 7 CO 0.07 -0.03 0.24 -0.51 0.70 0.00 0.00 175.22 175.69 1jww s ASP 8 N 0.36 6.45 -0.04 1.36 1.11 0.36 -0.89 116.67 125.38 1jww s ASP 8 Ca -0.03 0.54 0.00 0.00 0.18 0.00 0.00 52.55 53.24 1jww s ASP 8 Cb -0.04 -2.15 -0.03 0.00 1.07 0.00 0.00 42.92 41.77 1jww s ASP 8 CO -0.01 0.25 -0.02 -0.63 1.18 0.00 0.00 175.17 175.94 1jww s ILE 9 N -0.30 4.07 -0.56 0.77 -1.09 -1.16 -2.77 121.20 120.16 1jww s ILE 9 Ca 0.16 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 58.15 1jww s ILE 9 Cb -0.13 -2.74 0.16 0.00 -1.58 0.00 0.00 42.46 38.16 1jww s ILE 9 CO 0.05 0.51 0.37 -1.61 -1.23 0.00 0.00 174.94 173.02 1jww s GLU 10 N -1.15 1.84 0.00 2.79 0.41 -1.04 -4.95 118.70 116.61 1jww s GLU 10 Ca 0.16 -2.71 0.00 0.00 -0.41 0.00 0.00 54.97 52.01 1jww s GLU 10 Cb -0.11 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1jww s GLU 10 CO 0.05 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 1jww n GLY 11 N 2.67 -1.26 3.40 -1.39 0.00 -1.26 -3.40 105.19 103.95 1jww n GLY 11 Ca 0.16 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 46.30 1jww n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jww n MET 12 N 0.00 1.05 -1.82 1.61 2.81 -1.26 -4.73 117.12 114.78 1jww n MET 12 Ca 0.00 -1.87 -0.35 0.00 -1.81 0.00 0.00 57.70 53.67 1jww n MET 12 Cb 0.00 -3.26 0.04 0.00 -0.71 0.00 0.00 33.22 29.30 1jww n MET 12 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1jww n THR 13 N 7.23 3.31 -3.03 2.03 -2.24 -1.26 -3.64 114.28 116.70 1jww n THR 13 Ca 0.46 -3.94 -0.15 0.00 -2.27 0.00 0.00 64.05 58.15 1jww n THR 13 Cb 0.44 -1.21 0.01 0.00 -2.10 0.00 0.00 70.33 67.47 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 0.28 0.00 0.24 0.00 0.00 -1.26 -0.87 120.51 118.91 1jww n ALA 15 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.70 1jww n ALA 15 Cb 0.68 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.29 1.63 0.96 0.00 0.00 -1.96 0.12 119.26 119.73 1jww h ALA 16 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1jww h ALA 16 Cb 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jww h ALA 16 CO 0.00 0.17 -0.46 0.00 0.00 0.00 0.00 179.25 178.96 1jww h ALA 18 N -1.27 1.83 -0.13 0.00 0.00 -1.37 0.41 119.26 118.72 1jww h ALA 18 Ca -0.13 0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jww h ALA 18 Cb 0.99 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1jww h ALA 18 CO 0.22 -0.21 0.27 -0.91 0.00 0.00 0.00 179.25 178.62 1jww h ASN 19 N 0.65 0.00 -0.48 0.00 -0.26 -0.74 0.44 115.58 115.19 1jww h ASN 19 Ca 0.58 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.20 1jww h ASN 19 Cb 1.05 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.30 1jww h ASN 19 CO -0.36 0.00 -0.16 -0.09 -1.06 0.00 0.00 177.43 175.76 1jww h ARG 20 N 0.00 0.95 -0.89 0.81 9.65 -0.96 -2.86 114.38 121.08 1jww h ARG 20 Ca 0.06 -0.39 0.10 0.00 -1.10 0.00 0.00 59.98 58.66 1jww h ARG 20 Cb 0.60 -0.04 -0.13 0.00 -1.39 0.00 0.00 29.97 29.01 1jww h ARG 20 CO -0.00 1.05 -0.51 0.82 2.80 0.00 0.00 179.97 184.13 1jww h ILE 21 N 0.80 0.01 -0.74 1.20 1.08 -1.02 -0.72 117.51 118.12 1jww h ILE 21 Ca 0.12 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.74 1jww h ILE 21 Cb 0.73 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 34.38 1jww h ILE 21 CO 0.06 0.00 0.19 -0.33 -0.69 0.00 0.00 178.15 177.38 1jww h GLU 22 N -0.06 0.28 -0.12 2.37 5.08 -1.54 0.32 114.58 120.91 1jww h GLU 22 Ca 0.21 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1jww h GLU 22 Cb 0.50 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1jww h GLU 22 CO -0.89 0.18 -0.29 0.87 -1.00 0.00 0.00 179.01 177.88 1jww h LYS 23 N 0.29 0.41 -0.20 2.33 1.79 -1.46 0.26 116.57 119.98 1jww h LYS 23 Ca 0.42 -0.28 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1jww h LYS 23 Cb 0.71 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 1jww h LYS 23 CO -0.50 0.89 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.65 1jww h ARG 24 N -0.01 0.30 0.24 3.15 9.65 0.43 -2.26 114.38 125.88 1jww h ARG 24 Ca -0.00 -0.05 -0.34 0.00 -1.10 0.00 0.00 59.98 58.49 1jww h ARG 24 Cb 0.90 -0.05 0.03 0.00 -1.39 0.00 0.00 29.97 29.46 1jww h ARG 24 CO 0.06 0.35 -1.49 -0.07 2.80 0.00 0.00 179.97 181.62 1jww h LEU 25 N 0.29 0.81 -1.65 3.80 3.38 -0.44 -3.22 115.31 118.28 1jww h LEU 25 Ca 0.07 -0.88 0.28 0.00 0.09 0.00 0.00 57.88 57.43 1jww h LEU 25 Cb 0.24 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 1jww h LEU 25 CO 0.01 1.70 0.71 0.78 0.09 0.00 0.00 178.44 181.72 1jww h ASN 26 N 0.14 0.25 -0.91 -0.43 -0.26 -0.13 0.10 115.58 114.34 1jww h ASN 26 Ca -0.26 0.04 0.15 0.00 -0.56 0.00 0.00 56.30 55.68 1jww h ASN 26 Cb 2.16 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 39.35 1jww h ASN 26 CO 0.27 0.05 0.59 0.50 -1.06 0.00 0.00 177.43 177.78 1jww h LYS 27 N 0.23 0.70 -6.63 0.81 3.64 -1.43 -3.42 116.57 110.47 1jww h LYS 27 Ca 0.55 -0.04 -0.52 0.00 -1.27 0.00 0.00 60.65 59.37 1jww h LYS 27 Cb 1.72 -0.16 0.05 0.00 -0.41 0.00 0.00 32.23 33.44 1jww h LYS 27 CO -0.16 0.46 1.00 0.42 -2.27 0.00 0.00 179.45 178.90 1jww s ILE 28 N -5.71 2.18 0.06 2.00 -1.09 0.35 -4.94 121.20 114.05 1jww s ILE 28 Ca -0.10 0.09 -0.10 0.00 -2.23 0.00 0.00 60.65 58.31 1jww s ILE 28 Cb 0.22 -3.06 -0.31 0.00 -1.58 0.00 0.00 42.46 37.74 1jww s ILE 28 CO 0.79 0.01 1.09 -0.33 -1.23 0.00 0.00 174.94 175.27 1jww h GLU 29 N 7.00 0.41 -1.15 2.79 5.08 -1.86 -3.25 114.58 123.60 1jww h GLU 29 Ca -0.43 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.25 1jww h GLU 29 Cb 1.20 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1jww h GLU 29 CO 0.95 1.32 0.00 0.41 -1.00 0.00 0.00 179.01 180.69 1jww n GLY 30 N 1.57 1.75 3.83 -3.84 0.00 -1.26 -4.82 105.19 102.42 1jww n GLY 30 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 0.13 4.96 -0.02 1.61 0.11 -1.23 -0.19 120.40 125.76 1jww s VAL 31 Ca 0.00 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1jww s VAL 31 Cb 0.00 -3.33 -0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1jww s VAL 31 CO 0.00 0.27 -0.03 0.00 -3.33 0.00 0.00 175.10 172.01 1jww n ALA 32 N 0.84 2.63 -3.13 1.54 0.00 0.22 -4.96 120.51 117.66 1jww n ALA 32 Ca -0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1jww n ALA 32 Cb 0.52 0.46 -0.11 0.00 0.00 0.00 0.00 19.45 20.33 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 -4.99 -0.16 -0.41 0.00 0.01 -0.94 -5.00 114.94 103.44 1jww s ASN 33 Ca -0.03 0.23 0.10 0.00 -0.71 0.00 0.00 52.86 52.45 1jww s ASN 33 Cb 0.01 0.38 0.34 0.00 0.41 0.00 0.00 41.25 42.39 1jww s ASN 33 CO 0.05 -0.22 0.76 0.00 -1.51 0.00 0.00 177.10 176.18 1jww n ALA 34 N 2.29 2.53 -1.92 0.60 0.00 -1.26 -0.21 120.51 122.53 1jww n ALA 34 Ca -0.17 -3.65 -0.40 0.00 0.00 0.00 0.00 53.44 49.22 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 0.27 2.47 -1.67 0.00 -0.04 -1.14 -4.82 135.00 130.06 1jww n PRO 35 Ca 0.26 -2.63 -0.33 0.00 -0.04 0.00 0.00 63.50 60.76 1jww n PRO 35 Cb 0.60 -3.35 0.06 0.00 -0.04 0.00 0.00 33.50 30.77 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 5.20 3.17 -0.82 0.52 -7.23 -1.26 -4.29 120.40 115.70 1jww s VAL 36 Ca 0.55 0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 61.08 1jww s VAL 36 Cb 0.09 -3.04 0.16 0.00 0.56 0.00 0.00 36.38 34.15 1jww s VAL 36 CO 0.04 -0.35 0.89 0.20 -0.31 0.00 0.00 175.10 175.57 1jww s ASN 37 N -2.62 6.59 0.00 4.85 0.01 0.42 -4.92 114.94 119.28 1jww s ASN 37 Ca 0.67 -2.19 -0.01 0.00 -0.71 0.00 0.00 52.86 50.62 1jww s ASN 37 Cb -0.21 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 1jww s ASN 37 CO 0.43 -0.87 1.56 2.22 -1.51 0.00 0.00 177.10 178.93 1jww n PHE 38 N 5.44 0.00 0.00 2.20 1.16 -1.26 -2.61 117.46 122.38 1jww n PHE 38 Ca 0.13 -0.69 0.00 0.00 -1.87 0.00 0.00 57.45 55.02 1jww n PHE 38 Cb 0.47 -0.63 0.00 0.00 -1.61 0.00 0.00 39.48 37.71 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 2.04 0.00 1.24 1.98 0.00 -1.26 -4.03 120.51 120.47 1jww n ALA 39 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1jww n ALA 39 Cb 0.38 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.44 1.72 -2.71 0.00 4.77 -1.07 -4.93 117.00 114.33 1jww n LEU 40 Ca 0.00 -0.69 -0.18 0.00 -0.03 0.00 0.00 56.01 55.10 1jww n LEU 40 Cb 0.00 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1jww n LEU 40 CO 0.00 0.35 0.12 -0.62 -1.33 0.00 0.00 177.39 175.91 1jww n GLU 41 N 0.35 -5.34 -3.76 3.23 1.02 -1.15 -4.98 120.64 110.02 1jww n GLU 41 Ca 0.17 0.66 -0.14 0.00 -0.02 0.00 0.00 57.16 57.83 1jww n GLU 41 Cb 0.35 -5.12 -0.15 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 -3.17 -0.05 -0.13 2.62 -4.23 -1.25 -2.99 115.64 106.44 1jww s THR 42 Ca 0.38 0.19 -0.07 0.00 -1.18 0.00 0.00 61.69 61.01 1jww s THR 42 Cb -0.17 -0.18 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 1jww s THR 42 CO 0.47 0.08 0.13 -0.69 -0.54 0.00 0.00 174.62 174.06 1jww s VAL 43 N 1.12 5.42 -0.13 2.29 1.01 -0.07 -0.43 120.40 129.60 1jww s VAL 43 Ca -0.09 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 1jww s VAL 43 Cb -0.12 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.92 1jww s VAL 43 CO -0.05 0.60 -0.10 -0.89 0.00 0.00 0.00 175.10 174.67 1jww s THR 44 N -0.89 1.22 -0.02 3.92 2.01 -1.26 -0.52 115.64 120.10 1jww s THR 44 Ca 0.14 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.76 1jww s THR 44 Cb -0.12 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 1jww s THR 44 CO 0.03 0.37 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.43 1jww s VAL 45 N 1.62 1.71 -0.42 3.82 1.01 0.06 -2.90 120.40 125.30 1jww s VAL 45 Ca 0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.96 1jww s VAL 45 Cb -0.13 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.85 1jww s VAL 45 CO -0.09 0.48 0.31 -0.70 0.00 0.00 0.00 175.10 175.10 1jww s GLU 46 N -0.41 2.95 0.14 2.72 2.12 0.71 -0.63 118.70 126.30 1jww s GLU 46 Ca 0.06 -1.09 -0.00 0.00 0.36 0.00 0.00 54.97 54.29 1jww s GLU 46 Cb -0.09 -3.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.28 1jww s GLU 46 CO -0.00 -0.80 0.04 1.52 -0.54 0.00 0.00 175.26 175.49 1jww s TYR 47 N 1.65 0.96 -0.17 5.30 1.13 -0.45 -0.61 117.35 125.16 1jww s TYR 47 Ca 0.04 -1.19 -0.04 0.00 -1.41 0.00 0.00 57.07 54.48 1jww s TYR 47 Cb -0.20 -0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 40.09 1jww s TYR 47 CO 0.09 -0.45 -0.02 0.54 -2.51 0.00 0.00 175.55 173.20 1jww s ASN 48 N -3.08 4.86 -1.22 -0.18 2.20 0.73 -0.11 114.94 118.14 1jww s ASN 48 Ca 0.24 -0.13 -0.12 0.00 -0.94 0.00 0.00 52.86 51.91 1jww s ASN 48 Cb 0.07 -1.80 -0.06 0.00 -2.00 0.00 0.00 41.25 37.45 1jww s ASN 48 CO 0.03 0.15 2.35 -0.81 -2.94 0.00 0.00 177.10 175.87 1jww n PRO 49 N 3.69 2.61 0.00 3.55 -0.04 -1.26 -3.73 135.00 139.82 1jww n PRO 49 Ca -0.17 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1jww n PRO 49 Cb 0.52 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.15 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 4.99 0.00 -0.05 0.54 2.85 -1.26 -4.93 118.16 120.29 1jww n LYS 50 Ca 0.57 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.80 1jww n LYS 50 Cb 0.27 -0.36 -0.01 0.00 -0.65 0.00 0.00 35.03 34.28 1jww n LYS 50 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1jww h GLU 51 N 0.00 0.00 -6.00 -1.58 4.22 -1.91 -3.50 114.58 105.81 1jww h GLU 51 Ca 0.00 0.00 -0.62 0.00 0.08 0.00 0.00 59.36 58.82 1jww h GLU 51 Cb 0.48 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.59 1jww h GLU 51 CO 0.00 0.00 -0.69 0.00 -2.18 0.00 0.00 179.01 176.14 1jww s ALA 52 N -2.78 2.94 0.49 2.92 0.00 -1.26 -4.96 121.76 119.11 1jww s ALA 52 Ca -0.10 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 49.83 1jww s ALA 52 Cb 0.01 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1jww s ALA 52 CO 0.15 0.12 0.06 -1.13 0.00 0.00 0.00 175.76 174.97 1jww n SER 53 N -0.77 3.23 -0.33 0.00 3.41 -1.26 -4.18 113.62 113.72 1jww n SER 53 Ca -0.05 -3.06 0.21 0.00 -0.26 0.00 0.00 58.87 55.72 1jww n SER 53 Cb 0.63 0.28 0.43 0.00 -0.26 0.00 0.00 64.21 65.29 1jww n SER 53 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1jww h VAL 54 N 1.15 0.30 -0.38 -3.33 -1.51 -2.01 -2.65 116.25 107.82 1jww h VAL 54 Ca -0.39 -0.10 -0.16 0.00 -1.23 0.00 0.00 66.70 64.82 1jww h VAL 54 Cb 1.21 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1jww h VAL 54 CO 0.64 0.06 -0.39 -1.28 -1.23 0.00 0.00 177.57 175.37 1jww h SER 55 N 0.30 1.00 0.06 4.19 0.87 -1.98 -2.23 113.55 115.76 1jww h SER 55 Ca 0.70 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1jww h SER 55 Cb 1.55 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1jww h SER 55 CO -0.62 1.26 -0.03 0.44 -0.53 0.00 0.00 176.83 177.35 1jww h ASP 56 N 0.75 -0.07 -0.24 6.23 5.19 -1.87 0.44 116.42 126.86 1jww h ASP 56 Ca 0.06 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1jww h ASP 56 Cb 0.99 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1jww h ASP 56 CO 0.10 0.08 0.07 0.17 -3.12 0.00 0.00 179.24 176.53 1jww h LEU 57 N -0.21 0.36 -0.82 1.55 8.10 -1.62 0.58 115.31 123.24 1jww h LEU 57 Ca -0.01 -0.22 0.20 0.00 0.11 0.00 0.00 57.88 57.97 1jww h LEU 57 Cb 0.19 -0.09 -0.14 0.00 -0.44 0.00 0.00 40.66 40.18 1jww h LEU 57 CO 0.01 0.48 0.14 0.50 -4.11 0.00 0.00 178.44 175.46 1jww h LYS 58 N 0.22 0.17 -0.17 0.17 3.11 -1.19 -0.01 116.57 118.86 1jww h LYS 58 Ca 0.08 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 1jww h LYS 58 Cb 0.26 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1jww h LYS 58 CO -0.00 0.11 0.08 1.49 -2.81 0.00 0.00 179.45 178.32 1jww h GLU 59 N 0.17 0.25 -0.52 1.90 4.22 0.64 0.17 114.58 121.41 1jww h GLU 59 Ca 0.49 -0.04 0.09 0.00 0.08 0.00 0.00 59.36 59.98 1jww h GLU 59 Cb 0.93 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.06 1jww h GLU 59 CO -0.65 0.30 0.09 0.00 -2.18 0.00 0.00 179.01 176.56 1jww h ALA 60 N 0.94 0.58 -0.36 2.92 0.00 0.19 0.29 119.26 123.82 1jww h ALA 60 Ca 0.06 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1jww h ALA 60 Cb 0.14 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1jww h ALA 60 CO -0.01 -0.32 0.01 0.28 0.00 0.00 0.00 179.25 179.21 1jww h VAL 61 N 0.22 1.26 -0.99 0.00 2.07 -0.88 -0.44 116.25 117.48 1jww h VAL 61 Ca 0.27 -0.96 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1jww h VAL 61 Cb 0.38 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1jww h VAL 61 CO -0.36 0.32 0.63 -0.78 0.02 0.00 0.00 177.57 177.39 1jww h ASP 62 N 0.45 0.91 -0.14 0.57 3.58 0.57 -1.85 116.42 120.52 1jww h ASP 62 Ca 0.10 0.04 -0.16 0.00 0.42 0.00 0.00 57.03 57.44 1jww h ASP 62 Cb 0.44 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.35 1jww h ASP 62 CO 0.02 0.49 -0.50 0.50 -2.88 0.00 0.00 179.24 176.87 1jww h LYS 63 N 0.98 0.71 -0.53 0.28 1.63 -0.20 0.17 116.57 119.62 1jww h LYS 63 Ca 0.49 -0.42 0.15 0.00 -0.85 0.00 0.00 60.65 60.02 1jww h LYS 63 Cb 0.49 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 1jww h LYS 63 CO -0.25 1.04 0.55 -0.07 -3.45 0.00 0.00 179.45 177.27 1jww h LEU 64 N 0.56 0.00 0.00 5.20 3.38 -0.26 -3.46 115.31 120.73 1jww h LEU 64 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jww h LEU 64 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jww h LEU 64 CO 0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1jww n GLY 65 N -1.54 1.26 3.54 0.83 0.00 0.59 -5.10 105.19 104.78 1jww n GLY 65 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 2.56 0.34 1.61 -0.85 -1.22 -4.96 117.35 114.08 1jww s TYR 66 Ca 0.00 -0.25 -0.05 0.00 -0.52 0.00 0.00 57.07 56.24 1jww s TYR 66 Cb 0.00 -1.25 -0.05 0.00 0.38 0.00 0.00 41.96 41.04 1jww s TYR 66 CO 0.00 0.52 0.63 0.15 -1.52 0.00 0.00 175.55 175.32 1jww s LYS 67 N -2.82 3.63 0.04 -3.49 3.01 -1.22 -3.15 119.74 115.74 1jww s LYS 67 Ca 0.24 0.09 0.04 0.00 -1.01 0.00 0.00 55.97 55.33 1jww s LYS 67 Cb -0.08 -2.56 -0.02 0.00 -1.01 0.00 0.00 37.83 34.15 1jww s LYS 67 CO 0.14 0.10 -0.11 -1.17 0.51 0.00 0.00 175.35 174.82 1jww s LEU 68 N -3.86 2.19 -0.09 3.17 2.96 -1.26 -2.49 118.68 119.31 1jww s LEU 68 Ca 0.45 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.82 1jww s LEU 68 Cb -0.10 -0.43 0.02 0.00 0.50 0.00 0.00 46.19 46.18 1jww s LEU 68 CO 0.33 -0.04 0.23 -0.54 -1.32 0.00 0.00 176.35 175.01 1jww s LYS 69 N -1.22 0.27 0.76 1.98 -0.14 -1.11 -4.94 119.74 115.33 1jww s LYS 69 Ca -0.02 0.33 -0.13 0.00 -1.36 0.00 0.00 55.97 54.80 1jww s LYS 69 Cb -0.08 0.12 0.06 0.00 -1.68 0.00 0.00 37.83 36.24 1jww s LYS 69 CO 0.01 -0.04 1.14 -1.17 -0.76 0.00 0.00 175.35 174.53 1jww s LEU 70 N 0.18 3.17 0.07 3.17 0.20 -1.26 -0.49 118.68 123.72 1jww s LEU 70 Ca -0.01 2.10 0.00 0.00 0.69 0.00 0.00 54.13 56.92 1jww s LEU 70 Cb -0.02 -4.56 0.00 0.00 -0.43 0.00 0.00 46.19 41.18 1jww s LEU 70 CO -0.00 -2.23 0.00 1.17 -0.29 0.00 0.00 176.35 175.00 1jww n LYS 71 N -3.16 0.00 0.00 1.98 4.81 0.44 -4.76 118.16 117.46 1jww n LYS 71 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1jww n LYS 71 Cb 0.52 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 35.44 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 2.76 -1.73 3.63 3.14 0.00 -1.21 -5.01 105.19 106.77 1jww n GLY 72 Ca 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 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 0.58 -0.82 1.61 -1.05 -1.26 -2.99 118.70 114.77 1jww s GLU 73 Ca 0.00 -0.30 -0.25 0.00 -0.15 0.00 0.00 54.97 54.27 1jww s GLU 73 Cb 0.00 0.21 0.02 0.00 -0.44 0.00 0.00 34.13 33.92 1jww s GLU 73 CO 0.00 -0.26 1.51 1.14 0.95 0.00 0.00 175.26 178.59 1jww s GLN 74 N -2.66 3.15 -0.27 -4.83 -2.07 -1.26 -4.15 119.66 107.57 1jww s GLN 74 Ca 0.12 -0.38 -0.03 0.00 -1.82 0.00 0.00 55.36 53.25 1jww s GLN 74 Cb 0.02 -4.68 0.00 0.00 -1.09 0.00 0.00 33.01 27.26 1jww s GLN 74 CO -0.03 -2.41 0.29 -3.47 -1.32 0.00 0.00 175.29 168.34 1jww n ASP 75 N 10.32 -4.55 -4.56 12.60 2.03 -1.26 -4.92 116.55 126.22 1jww n ASP 75 Ca 0.19 0.08 -0.32 0.00 0.52 0.00 0.00 54.79 55.26 1jww n ASP 75 Cb 0.50 -2.89 -0.04 0.00 -0.72 0.00 0.00 41.12 37.96 1jww n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1jww s SER 76 N -2.13 5.46 -0.99 1.67 1.04 -1.26 -4.90 113.70 112.60 1jww s SER 76 Ca 0.05 -0.60 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 1jww s SER 76 Cb -0.01 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1jww s SER 76 CO 0.33 -2.41 1.98 2.30 0.98 0.00 0.00 173.24 176.42 1jww n ILE 77 N 7.49 2.27 -1.59 -1.02 -5.35 -1.26 -4.92 119.36 114.99 1jww n ILE 77 Ca 0.33 -2.05 -0.46 0.00 -0.27 0.00 0.00 62.75 60.29 1jww n ILE 77 Cb 0.49 -2.36 -0.05 0.00 -1.74 0.00 0.00 39.64 35.98 1jww n ILE 77 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jww n GLU 78 N 7.04 1.88 0.00 6.28 -0.58 -1.26 -4.33 120.64 129.68 1jww n GLU 78 Ca 0.50 0.60 0.00 0.00 -0.42 0.00 0.00 57.16 57.83 1jww n GLU 78 Cb 0.41 -2.86 0.00 0.00 -0.57 0.00 0.00 31.44 28.43 1jww n GLU 78 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jww n GLY 79 N 5.48 0.02 0.00 0.62 0.00 -1.26 -5.31 105.19 104.73 1jww n GLY 79 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1jww n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86