#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 2.85 0.31 2.52 -4.23 -1.26 -4.65 115.64 111.17 1jww s THR 2 Ca 0.00 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.55 1jww s THR 2 Cb 0.00 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 1jww s THR 2 CO 0.00 -0.30 -0.05 -1.61 -0.54 0.00 0.00 174.62 172.12 1jww s GLU 3 N -3.66 2.01 -0.19 3.99 2.02 0.50 -4.91 118.70 118.46 1jww s GLU 3 Ca 0.33 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 53.57 1jww s GLU 3 Cb -0.03 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.26 1jww s GLU 3 CO 0.19 0.22 -0.03 0.15 0.02 0.00 0.00 175.26 175.81 1jww s LYS 4 N -3.65 3.56 0.04 1.61 3.01 -1.26 -0.53 119.74 122.52 1jww s LYS 4 Ca 0.33 -0.56 0.04 0.00 -1.01 0.00 0.00 55.97 54.77 1jww s LYS 4 Cb -0.02 -2.98 -0.02 0.00 -1.01 0.00 0.00 37.83 33.80 1jww s LYS 4 CO 0.18 0.05 -0.12 0.00 0.51 0.00 0.00 175.35 175.97 1jww s ALA 5 N 0.86 1.02 0.10 5.17 0.00 0.22 -4.29 121.76 124.84 1jww s ALA 5 Ca -0.00 -0.77 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1jww s ALA 5 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1jww s ALA 5 CO 0.02 0.17 -0.19 -1.21 0.00 0.00 0.00 175.76 174.55 1jww s GLU 6 N -1.13 1.07 -0.00 0.00 2.02 -0.54 -0.78 118.70 119.35 1jww s GLU 6 Ca -0.00 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.85 1jww s GLU 6 Cb -0.08 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1jww s GLU 6 CO 0.01 0.29 -0.00 -0.06 0.02 0.00 0.00 175.26 175.52 1jww s PHE 7 N -1.25 0.03 -0.17 1.61 0.40 0.11 -0.23 117.98 118.49 1jww s PHE 7 Ca 0.05 0.01 -0.07 0.00 -0.60 0.00 0.00 56.93 56.32 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 -0.01 0.08 -0.51 0.70 0.00 0.00 175.22 175.52 1jww s ASP 8 N 0.09 5.81 -0.25 1.36 1.11 0.87 -0.98 116.67 124.69 1jww s ASP 8 Ca -0.01 0.17 -0.10 0.00 0.18 0.00 0.00 52.55 52.80 1jww s ASP 8 Cb -0.01 -1.95 -0.05 0.00 1.07 0.00 0.00 42.92 41.98 1jww s ASP 8 CO -0.00 0.23 0.15 -0.63 1.18 0.00 0.00 175.17 176.10 1jww s ILE 9 N 0.02 5.16 -0.44 0.77 -1.09 -1.01 -3.14 121.20 121.48 1jww s ILE 9 Ca 0.07 0.11 0.02 0.00 -2.23 0.00 0.00 60.65 58.62 1jww s ILE 9 Cb -0.12 -3.42 0.12 0.00 -1.58 0.00 0.00 42.46 37.46 1jww s ILE 9 CO 0.00 0.32 0.18 -1.61 -1.23 0.00 0.00 174.94 172.60 1jww s GLU 10 N 1.34 1.83 0.00 2.79 0.41 -0.81 -4.87 118.70 119.39 1jww s GLU 10 Ca 0.07 -2.19 0.00 0.00 -0.41 0.00 0.00 54.97 52.44 1jww s GLU 10 Cb -0.15 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1jww s GLU 10 CO 0.06 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.21 1jww n GLY 11 N 3.83 -1.33 3.55 -1.39 0.00 -1.26 -1.71 105.19 106.88 1jww n GLY 11 Ca 0.04 0.47 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 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 1.95 -0.41 1.61 0.23 -1.26 -5.09 119.30 116.32 1jww s MET 12 Ca 0.00 -1.65 0.05 0.00 -1.03 0.00 0.00 55.69 53.06 1jww s MET 12 Cb 0.00 -1.92 0.17 0.00 -1.53 0.00 0.00 34.83 31.55 1jww s MET 12 CO 0.00 0.31 0.48 -0.08 -2.03 0.00 0.00 175.02 173.70 1jww s THR 13 N -2.45 -0.48 -0.11 3.16 -1.32 -1.26 -4.96 115.64 108.23 1jww s THR 13 Ca 0.31 -1.03 -0.10 0.00 -1.21 0.00 0.00 61.69 59.66 1jww s THR 13 Cb -0.05 -0.50 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1jww s THR 13 CO 0.17 -0.47 0.28 0.00 -2.21 0.00 0.00 174.62 172.40 1jww h ALA 15 N 5.71 -0.27 0.07 0.00 0.00 -1.98 0.12 119.26 122.92 1jww h ALA 15 Ca -0.26 0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.48 1jww h ALA 15 Cb 1.19 0.85 0.02 0.00 0.00 0.00 0.00 17.79 19.85 1jww h ALA 15 CO 0.33 -0.79 -1.14 0.00 0.00 0.00 0.00 179.25 177.65 1jww h ALA 16 N 0.67 0.11 0.04 0.00 0.00 -1.97 0.24 119.26 118.35 1jww h ALA 16 Ca 0.18 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 1jww h ALA 16 Cb 0.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jww h ALA 16 CO -0.62 0.74 -0.02 0.00 0.00 0.00 0.00 179.25 179.35 1jww h ALA 18 N 0.80 1.17 -0.86 0.00 0.00 -0.72 -1.88 119.26 117.78 1jww h ALA 18 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1jww h ALA 18 Cb 0.13 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1jww h ALA 18 CO 0.01 -0.13 0.57 -0.97 0.00 0.00 0.00 179.25 178.72 1jww h ASN 19 N 0.55 0.91 -1.00 0.00 -0.00 0.50 -0.57 115.58 115.97 1jww h ASN 19 Ca 0.44 -0.01 0.08 0.00 -0.00 0.00 0.00 56.30 56.81 1jww h ASN 19 Cb 0.62 -0.20 -0.07 0.00 -0.00 0.00 0.00 38.32 38.66 1jww h ASN 19 CO -0.37 0.61 0.64 0.03 -0.00 0.00 0.00 177.43 178.35 1jww h ARG 20 N 1.05 1.10 -0.68 6.67 -0.00 -0.39 -0.75 114.38 121.38 1jww h ARG 20 Ca 0.35 -0.07 0.14 0.00 -0.50 0.00 0.00 59.98 59.90 1jww h ARG 20 Cb 0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 29.97 29.66 1jww h ARG 20 CO -0.11 0.73 -0.19 0.82 0.00 0.00 0.00 179.97 181.22 1jww h ILE 21 N 1.14 0.30 -0.48 2.04 1.08 -1.06 0.64 117.51 121.17 1jww h ILE 21 Ca 0.45 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 65.01 1jww h ILE 21 Cb 0.23 0.30 -0.10 0.00 -3.07 0.00 0.00 36.82 34.18 1jww h ILE 21 CO -0.19 0.00 -0.29 -0.33 -0.69 0.00 0.00 178.15 176.65 1jww h GLU 22 N -0.02 -0.17 -0.23 2.37 5.08 -1.13 0.29 114.58 120.76 1jww h GLU 22 Ca 0.32 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.59 1jww h GLU 22 Cb 0.51 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1jww h GLU 22 CO -0.71 -0.12 -0.28 -0.22 -1.00 0.00 0.00 179.01 176.69 1jww h LYS 23 N -0.18 0.60 -0.31 2.33 1.63 -1.50 0.22 116.57 119.35 1jww h LYS 23 Ca 0.21 -0.33 -0.04 0.00 -0.85 0.00 0.00 60.65 59.63 1jww h LYS 23 Cb 0.52 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.15 1jww h LYS 23 CO -0.58 0.93 0.02 -0.09 -3.45 0.00 0.00 179.45 176.28 1jww h ARG 24 N 0.29 0.47 0.14 1.90 9.65 0.16 -1.09 114.38 125.92 1jww h ARG 24 Ca 0.03 -0.09 -0.30 0.00 -1.10 0.00 0.00 59.98 58.53 1jww h ARG 24 Cb 0.85 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 29.38 1jww h ARG 24 CO 0.07 0.49 -1.27 -0.07 2.80 0.00 0.00 179.97 181.98 1jww h LEU 25 N 0.46 0.72 -2.71 3.80 3.38 -0.41 -3.25 115.31 117.30 1jww h LEU 25 Ca 0.10 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1jww h LEU 25 Cb 0.28 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1jww h LEU 25 CO 0.01 1.53 0.00 -1.13 0.09 0.00 0.00 178.44 178.94 1jww h ASN 26 N 0.19 0.00 -0.79 -0.43 -1.24 0.36 -0.02 115.58 113.64 1jww h ASN 26 Ca -0.18 0.00 0.14 0.00 0.71 0.00 0.00 56.30 56.97 1jww h ASN 26 Cb 1.96 0.00 -0.09 0.00 0.73 0.00 0.00 38.32 40.91 1jww h ASN 26 CO 0.23 0.00 0.36 0.07 -1.29 0.00 0.00 177.43 176.80 1jww h LYS 27 N 0.00 0.50 -6.62 6.67 2.10 -1.26 -3.43 116.57 114.52 1jww h LYS 27 Ca 0.00 -0.03 -0.57 0.00 -2.00 0.00 0.00 60.65 58.05 1jww h LYS 27 Cb 0.00 -0.11 0.08 0.00 -0.90 0.00 0.00 32.23 31.30 1jww h LYS 27 CO 0.00 0.33 0.70 -0.89 -2.00 0.00 0.00 179.45 177.59 1jww n ILE 28 N -4.95 0.83 -0.04 0.07 5.41 -0.02 -4.91 119.36 115.75 1jww n ILE 28 Ca 0.15 -0.21 -0.13 0.00 1.00 0.00 0.00 62.75 63.56 1jww n ILE 28 Cb 0.42 -1.60 -0.08 0.00 -0.71 0.00 0.00 39.64 37.67 1jww n ILE 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1jww h GLU 29 N 4.60 0.26 -1.97 0.38 4.81 -1.89 -3.25 114.58 117.52 1jww h GLU 29 Ca -0.45 -0.16 -0.10 0.00 -0.13 0.00 0.00 59.36 58.52 1jww h GLU 29 Cb 1.26 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1jww h GLU 29 CO 0.78 0.73 -0.10 0.41 -0.73 0.00 0.00 179.01 180.10 1jww n GLY 30 N 0.35 2.82 3.78 1.92 0.00 -1.26 -4.85 105.19 107.95 1jww n GLY 30 Ca -0.07 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 0.16 4.46 0.02 1.61 0.11 -1.23 -0.36 120.40 125.16 1jww s VAL 31 Ca 0.27 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1jww s VAL 31 Cb 0.14 -3.20 -0.02 0.00 -1.53 0.00 0.00 36.38 31.77 1jww s VAL 31 CO -0.01 0.03 -0.07 0.00 -3.33 0.00 0.00 175.10 171.72 1jww n ALA 32 N 0.14 2.57 -2.39 1.54 0.00 0.58 -4.92 120.51 118.03 1jww n ALA 32 Ca -0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1jww n ALA 32 Cb 0.53 0.25 -0.09 0.00 0.00 0.00 0.00 19.45 20.14 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 -5.89 0.28 -0.38 0.00 0.01 -0.28 -4.99 114.94 103.69 1jww s ASN 33 Ca -0.07 -0.78 0.11 0.00 -0.71 0.00 0.00 52.86 51.42 1jww s ASN 33 Cb 0.01 0.27 0.33 0.00 0.41 0.00 0.00 41.25 42.27 1jww s ASN 33 CO 0.09 -0.64 0.73 0.00 -1.51 0.00 0.00 177.10 175.77 1jww n ALA 34 N 0.13 1.86 -1.69 0.60 0.00 -1.26 -0.28 120.51 119.88 1jww n ALA 34 Ca -0.15 -3.27 -0.42 0.00 0.00 0.00 0.00 53.44 49.60 1jww n ALA 34 Cb 0.61 -0.93 -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 0.44 2.52 -1.60 0.00 -0.04 -1.11 -4.62 135.00 130.58 1jww n PRO 35 Ca 0.23 -2.48 -0.33 0.00 -0.04 0.00 0.00 63.50 60.88 1jww n PRO 35 Cb 0.65 -3.24 0.07 0.00 -0.04 0.00 0.00 33.50 30.94 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 4.02 2.89 0.24 0.52 -7.23 -1.25 -4.31 120.40 115.28 1jww s VAL 36 Ca 0.51 0.42 -0.01 0.00 -1.81 0.00 0.00 61.98 61.08 1jww s VAL 36 Cb 0.13 -2.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1jww s VAL 36 CO -0.01 -0.26 0.44 0.20 -0.31 0.00 0.00 175.10 175.16 1jww s ASN 37 N -2.42 6.39 -0.34 4.85 0.01 -0.60 -4.93 114.94 117.91 1jww s ASN 37 Ca 0.69 0.46 0.16 0.00 -0.71 0.00 0.00 52.86 53.46 1jww s ASN 37 Cb -0.23 -2.04 0.46 0.00 0.41 0.00 0.00 41.25 39.85 1jww s ASN 37 CO 0.44 -0.10 1.01 2.22 -1.51 0.00 0.00 177.10 179.15 1jww n PHE 38 N -0.85 1.67 0.00 2.20 -1.74 -1.26 -4.54 117.46 112.94 1jww n PHE 38 Ca -0.04 -2.76 0.00 0.00 -0.56 0.00 0.00 57.45 54.09 1jww n PHE 38 Cb 0.54 -0.30 0.00 0.00 1.52 0.00 0.00 39.48 41.24 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 -0.23 0.00 0.57 1.98 0.00 -1.26 -4.47 120.51 117.10 1jww n ALA 39 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1jww n ALA 39 Cb 0.79 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.60 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 -0.97 0.00 3.38 -1.97 -3.48 115.31 112.28 1jww h LEU 40 Ca 0.00 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1jww h LEU 40 Cb 0.00 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.81 1jww h LEU 40 CO 0.00 0.01 -0.28 -0.62 0.09 0.00 0.00 178.44 177.64 1jww n GLU 41 N -2.36 -3.24 -3.70 1.13 1.02 -1.26 -5.03 120.64 107.19 1jww n GLU 41 Ca 0.05 0.34 -0.18 0.00 -0.02 0.00 0.00 57.16 57.35 1jww n GLU 41 Cb 0.44 -3.88 -0.17 0.00 -0.02 0.00 0.00 31.44 27.82 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 -3.13 -0.11 0.12 2.62 -4.23 -1.26 -2.40 115.64 107.24 1jww s THR 42 Ca 0.23 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.98 1jww s THR 42 Cb -0.10 -0.16 -0.06 0.00 1.34 0.00 0.00 72.50 73.52 1jww s THR 42 CO 0.30 0.14 0.45 -0.69 -0.54 0.00 0.00 174.62 174.29 1jww s VAL 43 N 1.83 5.02 -0.08 2.29 1.01 -0.15 -1.55 120.40 128.77 1jww s VAL 43 Ca -0.00 0.53 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1jww s VAL 43 Cb -0.12 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1jww s VAL 43 CO -0.04 0.22 -0.03 -0.89 0.00 0.00 0.00 175.10 174.37 1jww s THR 44 N -1.48 0.58 -0.06 3.92 2.01 -1.26 -0.72 115.64 118.64 1jww s THR 44 Ca 0.36 -0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.38 1jww s THR 44 Cb -0.14 -0.67 -0.01 0.00 0.01 0.00 0.00 72.50 71.70 1jww s THR 44 CO 0.19 0.28 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.50 1jww s VAL 45 N 1.67 1.74 -0.51 3.82 1.01 0.04 -2.77 120.40 125.41 1jww s VAL 45 Ca 0.01 -0.88 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 1jww s VAL 45 Cb -0.13 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.83 1jww s VAL 45 CO -0.05 0.49 0.57 -0.70 0.00 0.00 0.00 175.10 175.41 1jww s GLU 46 N 0.02 3.07 0.13 2.72 2.12 0.62 -0.61 118.70 126.77 1jww s GLU 46 Ca -0.06 -1.11 -0.07 0.00 0.36 0.00 0.00 54.97 54.09 1jww s GLU 46 Cb -0.13 -4.14 -0.02 0.00 0.26 0.00 0.00 34.13 30.10 1jww s GLU 46 CO 0.04 -1.22 0.20 1.52 -0.54 0.00 0.00 175.26 175.26 1jww s TYR 47 N 2.32 0.44 -0.18 5.30 1.13 0.31 -0.30 117.35 126.37 1jww s TYR 47 Ca 0.11 -0.84 -0.11 0.00 -1.41 0.00 0.00 57.07 54.82 1jww s TYR 47 Cb -0.22 -0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 40.43 1jww s TYR 47 CO 0.09 -0.62 0.19 0.54 -2.51 0.00 0.00 175.55 173.25 1jww s ASN 48 N -2.96 6.31 -1.17 -0.18 2.20 0.51 -0.37 114.94 119.27 1jww s ASN 48 Ca 0.15 0.35 -0.09 0.00 -0.94 0.00 0.00 52.86 52.34 1jww s ASN 48 Cb 0.05 -2.12 -0.13 0.00 -2.00 0.00 0.00 41.25 37.05 1jww s ASN 48 CO -0.03 0.16 3.02 -0.81 -2.94 0.00 0.00 177.10 176.50 1jww n PRO 49 N 3.45 3.13 0.00 3.55 -0.04 -1.26 -3.81 135.00 140.01 1jww n PRO 49 Ca -0.15 -1.83 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 1jww n PRO 49 Cb 0.52 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.38 0.00 -0.05 0.54 -0.00 -1.26 -4.92 118.16 115.84 1jww n LYS 50 Ca 0.67 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.95 1jww n LYS 50 Cb 0.38 -0.58 -0.01 0.00 -0.00 0.00 0.00 35.03 34.82 1jww n LYS 50 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jww h GLU 51 N 0.00 0.00 0.00 -1.58 4.22 -1.90 -3.49 114.58 111.83 1jww h GLU 51 Ca 0.00 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.06 1jww h GLU 51 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1jww h GLU 51 CO 0.00 0.00 -0.16 0.00 -2.18 0.00 0.00 179.01 176.67 1jww n ALA 52 N -3.14 0.63 -2.20 2.92 0.00 -1.26 -4.98 120.51 112.47 1jww n ALA 52 Ca -0.04 -1.49 -0.12 0.00 0.00 0.00 0.00 53.44 51.80 1jww n ALA 52 Cb 0.13 0.57 -0.10 0.00 0.00 0.00 0.00 19.45 20.05 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 -3.25 0.16 0.18 0.00 1.04 -1.26 -4.48 113.70 106.09 1jww s SER 53 Ca 0.26 -1.38 -0.19 0.00 0.48 0.00 0.00 55.95 55.12 1jww s SER 53 Cb -0.02 0.38 0.12 0.00 0.10 0.00 0.00 66.02 66.59 1jww s SER 53 CO 0.16 -0.84 1.61 0.58 0.98 0.00 0.00 173.24 175.74 1jww h VAL 54 N 2.63 0.31 -0.78 5.02 2.07 -1.99 -0.11 116.25 123.40 1jww h VAL 54 Ca -0.36 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.28 1jww h VAL 54 Cb 1.25 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1jww h VAL 54 CO 0.53 0.00 0.51 0.28 0.02 0.00 0.00 177.57 178.91 1jww h SER 55 N -0.15 0.58 0.39 0.57 0.02 -1.98 0.19 113.55 113.16 1jww h SER 55 Ca 0.21 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1jww h SER 55 Cb 0.49 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1jww h SER 55 CO -0.56 0.33 -0.19 -0.78 -1.14 0.00 0.00 176.83 174.49 1jww h ASP 56 N 0.63 -0.44 -0.57 3.07 3.58 -1.72 -3.19 116.42 117.78 1jww h ASP 56 Ca 0.37 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.83 1jww h ASP 56 Cb 0.58 0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.71 1jww h ASP 56 CO -0.14 -0.04 0.32 0.17 -2.88 0.00 0.00 179.24 176.67 1jww h LEU 57 N -1.08 0.71 -1.45 2.28 8.10 -0.65 0.23 115.31 123.44 1jww h LEU 57 Ca -0.05 -0.09 0.22 0.00 0.11 0.00 0.00 57.88 58.06 1jww h LEU 57 Cb 0.40 -0.18 -0.07 0.00 -0.44 0.00 0.00 40.66 40.37 1jww h LEU 57 CO 0.09 0.60 0.62 0.07 -4.11 0.00 0.00 178.44 175.70 1jww h LYS 58 N 0.77 0.42 -0.57 0.17 5.09 -1.15 0.90 116.57 122.20 1jww h LYS 58 Ca 0.20 -0.02 0.08 0.00 0.09 0.00 0.00 60.65 61.00 1jww h LYS 58 Cb 0.04 -0.09 -0.03 0.00 0.10 0.00 0.00 32.23 32.24 1jww h LYS 58 CO -0.03 0.27 0.38 1.49 -2.09 0.00 0.00 179.45 179.47 1jww h GLU 59 N 0.43 0.42 0.10 0.07 4.81 -0.53 0.14 114.58 120.02 1jww h GLU 59 Ca 0.50 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1jww h GLU 59 Cb 1.23 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1jww h GLU 59 CO -0.21 0.28 -0.05 0.00 -0.73 0.00 0.00 179.01 178.30 1jww h ALA 60 N 1.70 -0.13 -0.22 2.92 0.00 -0.78 0.18 119.26 122.93 1jww h ALA 60 Ca 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jww h ALA 60 Cb 0.45 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1jww h ALA 60 CO -0.07 -0.51 0.13 0.28 0.00 0.00 0.00 179.25 179.07 1jww h VAL 61 N -0.25 1.03 -0.48 0.00 2.07 -1.46 0.21 116.25 117.36 1jww h VAL 61 Ca -0.01 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1jww h VAL 61 Cb 0.21 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1jww h VAL 61 CO 0.02 0.05 0.06 -0.78 0.02 0.00 0.00 177.57 176.94 1jww h ASP 62 N 0.27 -0.08 -0.32 0.57 3.58 -0.40 -1.27 116.42 118.76 1jww h ASP 62 Ca 0.09 0.10 -0.17 0.00 0.42 0.00 0.00 57.03 57.46 1jww h ASP 62 Cb -0.01 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.19 1jww h ASP 62 CO -0.04 -0.01 -0.47 0.50 -2.88 0.00 0.00 179.24 176.34 1jww h LYS 63 N 0.18 0.90 -1.00 0.28 3.64 -0.51 -2.27 116.57 117.80 1jww h LYS 63 Ca 0.24 -0.52 0.19 0.00 -1.27 0.00 0.00 60.65 59.28 1jww h LYS 63 Cb 0.34 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1jww h LYS 63 CO -0.35 1.17 0.61 -0.07 -2.27 0.00 0.00 179.45 178.54 1jww h LEU 64 N 0.71 0.75 0.00 5.20 3.38 -0.20 -3.46 115.31 121.70 1jww h LEU 64 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jww h LEU 64 Cb 1.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jww h LEU 64 CO 0.11 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1jww n GLY 65 N -1.35 0.58 3.46 0.83 0.00 -0.55 -5.09 105.19 103.07 1jww n GLY 65 Ca 0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 2.37 0.06 1.61 1.13 -1.17 -4.98 117.35 116.37 1jww s TYR 66 Ca 0.00 -0.33 -0.09 0.00 -1.41 0.00 0.00 57.07 55.24 1jww s TYR 66 Cb 0.00 -1.14 -0.06 0.00 -1.10 0.00 0.00 41.96 39.66 1jww s TYR 66 CO 0.00 0.54 0.38 -1.59 -2.51 0.00 0.00 175.55 172.37 1jww s LYS 67 N -2.88 3.73 0.05 -3.49 -2.85 -0.69 -2.66 119.74 110.96 1jww s LYS 67 Ca 0.23 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.42 1jww s LYS 67 Cb -0.07 -3.02 -0.03 0.00 -2.06 0.00 0.00 37.83 32.64 1jww s LYS 67 CO 0.12 0.58 -0.22 -1.17 0.10 0.00 0.00 175.35 174.76 1jww s LEU 68 N -1.84 2.18 0.00 2.77 2.96 -1.26 -1.92 118.68 121.57 1jww s LEU 68 Ca 0.31 -0.56 -0.18 0.00 -0.22 0.00 0.00 54.13 53.49 1jww s LEU 68 Cb -0.14 -1.05 0.03 0.00 0.50 0.00 0.00 46.19 45.53 1jww s LEU 68 CO 0.17 0.18 0.39 -0.75 -1.32 0.00 0.00 176.35 175.03 1jww s LYS 69 N -1.26 0.81 0.62 1.98 2.47 -1.19 -4.91 119.74 118.27 1jww s LYS 69 Ca 0.09 -0.20 -0.18 0.00 -1.56 0.00 0.00 55.97 54.12 1jww s LYS 69 Cb -0.09 0.36 -0.02 0.00 -1.46 0.00 0.00 37.83 36.62 1jww s LYS 69 CO 0.02 -0.25 1.18 -1.17 0.16 0.00 0.00 175.35 175.29 1jww s LEU 70 N -1.56 3.58 -0.12 5.43 2.96 -1.26 -0.09 118.68 127.61 1jww s LEU 70 Ca -0.10 2.28 -0.13 0.00 -0.22 0.00 0.00 54.13 55.96 1jww s LEU 70 Cb -0.03 -4.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.03 1jww s LEU 70 CO 0.03 -1.65 -0.26 1.17 -1.32 0.00 0.00 176.35 174.32 1jww n LYS 71 N -1.86 0.40 0.00 1.98 4.81 0.68 -4.63 118.16 119.54 1jww n LYS 71 Ca 0.13 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 1jww n LYS 71 Cb 0.50 -1.20 0.00 0.00 0.02 0.00 0.00 35.03 34.35 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 1.95 -1.90 3.78 3.14 0.00 -0.93 -5.01 105.19 106.22 1jww n GLY 72 Ca -0.13 0.77 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 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 1.71 0.58 1.61 -1.05 -1.26 -1.47 118.70 118.82 1jww s GLU 73 Ca 0.00 -0.97 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 1jww s GLU 73 Cb 0.00 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.24 1jww s GLU 73 CO 0.00 -0.77 1.21 -0.65 0.95 0.00 0.00 175.26 176.00 1jww s GLN 74 N -3.92 3.04 -1.40 -4.83 -1.52 -1.26 -4.56 119.66 105.22 1jww s GLN 74 Ca 0.11 1.85 -0.09 0.00 -1.95 0.00 0.00 55.36 55.28 1jww s GLN 74 Cb -0.05 -1.98 -0.11 0.00 -0.22 0.00 0.00 33.01 30.65 1jww s GLN 74 CO 0.05 -1.16 3.04 -3.47 -0.25 0.00 0.00 175.29 173.50 1jww n ASP 75 N -1.48 8.24 -4.90 5.90 2.03 -1.26 -4.91 116.55 120.17 1jww n ASP 75 Ca 0.13 -2.55 -0.28 0.00 0.52 0.00 0.00 54.79 52.61 1jww n ASP 75 Cb 0.49 -1.53 -0.00 0.00 -0.72 0.00 0.00 41.12 39.36 1jww n ASP 75 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1jww s SER 76 N 2.17 6.29 0.00 1.67 0.01 -1.26 -5.12 113.70 117.47 1jww s SER 76 Ca 0.69 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1jww s SER 76 Cb 0.20 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1jww s SER 76 CO -0.05 -0.56 0.00 2.30 0.41 0.00 0.00 173.24 175.34 1jww n ILE 77 N -2.14 0.00 -4.39 1.44 -5.35 -1.26 -5.15 119.36 102.50 1jww n ILE 77 Ca 0.01 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.25 1jww n ILE 77 Cb 0.55 -0.90 -0.09 0.00 -1.74 0.00 0.00 39.64 37.46 1jww n ILE 77 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1jww s GLU 78 N 0.96 1.93 0.00 6.28 2.02 -1.26 -5.09 118.70 123.54 1jww s GLU 78 Ca 0.00 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.38 1jww s GLU 78 Cb 0.00 -1.94 0.00 0.00 0.10 0.00 0.00 34.13 32.29 1jww s GLU 78 CO 0.00 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.04 1jww n GLY 79 N -0.68 -0.25 0.00 -1.39 0.00 -1.26 -5.35 105.19 96.26 1jww n GLY 79 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19