#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 1.52 0.07 2.52 -4.23 -1.26 -4.61 115.64 109.65 1jww s THR 2 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1jww s THR 2 Cb 0.00 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.94 1jww s THR 2 CO 0.00 -0.00 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.34 1jww s GLU 3 N -3.82 0.77 -0.20 3.99 2.02 0.75 -4.93 118.70 117.29 1jww s GLU 3 Ca 0.36 -0.93 -0.05 0.00 0.02 0.00 0.00 54.97 54.37 1jww s GLU 3 Cb 0.09 -0.73 -0.02 0.00 0.10 0.00 0.00 34.13 33.58 1jww s GLU 3 CO 0.17 0.16 -0.02 0.15 0.02 0.00 0.00 175.26 175.74 1jww s LYS 4 N -1.75 3.54 0.11 1.61 3.01 -1.26 -0.77 119.74 124.22 1jww s LYS 4 Ca -0.03 -0.56 0.05 0.00 -1.01 0.00 0.00 55.97 54.43 1jww s LYS 4 Cb -0.10 -3.05 -0.04 0.00 -1.01 0.00 0.00 37.83 33.64 1jww s LYS 4 CO 0.02 -0.04 -0.14 0.00 0.51 0.00 0.00 175.35 175.70 1jww s ALA 5 N 1.12 1.36 0.10 5.17 0.00 0.07 -4.48 121.76 125.11 1jww s ALA 5 Ca 0.02 -1.20 0.10 0.00 0.00 0.00 0.00 51.96 50.88 1jww s ALA 5 Cb -0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1jww s ALA 5 CO 0.01 0.10 -0.24 -1.21 0.00 0.00 0.00 175.76 174.42 1jww s GLU 6 N -2.45 1.63 0.00 0.00 0.41 -0.32 -0.90 118.70 117.06 1jww s GLU 6 Ca 0.06 -1.23 0.02 0.00 -0.41 0.00 0.00 54.97 53.41 1jww s GLU 6 Cb -0.06 -1.99 -0.01 0.00 -1.78 0.00 0.00 34.13 30.29 1jww s GLU 6 CO 0.02 0.48 -0.07 -0.06 -0.49 0.00 0.00 175.26 175.14 1jww s PHE 7 N -1.02 0.59 -0.17 1.61 0.40 0.46 -0.22 117.98 119.63 1jww s PHE 7 Ca 0.15 -0.15 -0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1jww s PHE 7 Cb -0.10 -0.37 -0.04 0.00 0.51 0.00 0.00 43.02 43.01 1jww s PHE 7 CO 0.06 -0.01 0.07 0.34 0.70 0.00 0.00 175.22 176.37 1jww s ASP 8 N -0.29 5.70 -0.07 1.36 -1.08 0.72 -1.36 116.67 121.65 1jww s ASP 8 Ca 0.01 0.13 0.03 0.00 -0.52 0.00 0.00 52.55 52.21 1jww s ASP 8 Cb -0.03 -1.94 -0.02 0.00 -1.46 0.00 0.00 42.92 39.47 1jww s ASP 8 CO -0.00 0.22 -0.17 -0.63 0.52 0.00 0.00 175.17 175.11 1jww s ILE 9 N 0.12 2.83 -0.30 4.11 -1.09 -1.24 -2.79 121.20 122.85 1jww s ILE 9 Ca 0.05 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1jww s ILE 9 Cb -0.12 -2.11 0.09 0.00 -1.58 0.00 0.00 42.46 38.74 1jww s ILE 9 CO 0.00 0.57 0.05 -1.61 -1.23 0.00 0.00 174.94 172.73 1jww s GLU 10 N -0.40 1.11 0.00 2.79 0.41 -1.20 -4.87 118.70 116.54 1jww s GLU 10 Ca 0.04 -1.25 0.00 0.00 -0.41 0.00 0.00 54.97 53.35 1jww s GLU 10 Cb -0.12 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1jww s GLU 10 CO 0.02 -0.88 0.00 0.41 -0.49 0.00 0.00 175.26 174.32 1jww n GLY 11 N 4.65 0.96 0.00 -1.39 0.00 -1.26 -3.22 105.19 104.93 1jww n GLY 11 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1jww n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1jww n MET 12 N 0.00 1.79 0.00 1.61 0.00 -1.26 -4.69 117.12 114.57 1jww n MET 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jww n MET 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1jww n MET 12 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1jww n THR 13 N -0.60 0.00 -3.30 3.17 5.66 -1.26 -5.05 114.28 112.91 1jww n THR 13 Ca 0.00 -0.41 -0.16 0.00 -3.05 0.00 0.00 64.05 60.43 1jww n THR 13 Cb 0.00 1.04 0.08 0.00 -1.55 0.00 0.00 70.33 69.90 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 -3.89 0.00 0.09 0.00 0.00 -1.26 -4.47 120.51 110.97 1jww n ALA 15 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1jww n ALA 15 Cb 0.64 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.01 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 2.00 0.30 0.56 0.00 0.00 -1.98 0.79 119.26 120.94 1jww h ALA 16 Ca 0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 1jww h ALA 16 Cb 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jww h ALA 16 CO 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 179.25 179.97 1jww h ALA 18 N -0.53 1.22 -0.14 0.00 0.00 -1.88 0.23 119.26 118.16 1jww h ALA 18 Ca -0.08 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1jww h ALA 18 Cb 0.63 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1jww h ALA 18 CO 0.13 -0.49 -0.27 -0.97 0.00 0.00 0.00 179.25 177.65 1jww h ASN 19 N 0.16 0.26 -0.32 0.00 -0.00 -0.43 -2.83 115.58 112.42 1jww h ASN 19 Ca 0.55 -0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.74 1jww h ASN 19 Cb 1.11 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.35 1jww h ASN 19 CO -0.69 0.53 0.11 -0.09 -0.00 0.00 0.00 177.43 177.28 1jww h ARG 20 N 0.24 0.49 -0.67 6.67 9.65 0.19 -3.15 114.38 127.79 1jww h ARG 20 Ca 0.04 -0.10 0.14 0.00 -1.10 0.00 0.00 59.98 58.96 1jww h ARG 20 Cb 0.60 -0.07 -0.12 0.00 -1.39 0.00 0.00 29.97 28.99 1jww h ARG 20 CO 0.04 0.52 -0.07 0.82 2.80 0.00 0.00 179.97 184.08 1jww h ILE 21 N 0.36 0.38 -0.71 1.20 1.08 -1.05 -0.05 117.51 118.72 1jww h ILE 21 Ca 0.10 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 1jww h ILE 21 Cb 0.23 0.32 -0.13 0.00 -3.07 0.00 0.00 36.82 34.17 1jww h ILE 21 CO -0.00 0.01 -0.36 -0.33 -0.69 0.00 0.00 178.15 176.77 1jww h GLU 22 N 0.06 -0.12 -0.14 2.37 5.08 -1.56 0.35 114.58 120.62 1jww h GLU 22 Ca 0.34 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.64 1jww h GLU 22 Cb 0.56 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jww h GLU 22 CO -0.63 -0.08 -0.21 0.87 -1.00 0.00 0.00 179.01 177.96 1jww h LYS 23 N -0.12 0.39 -0.57 2.33 1.57 -1.34 0.26 116.57 119.09 1jww h LYS 23 Ca 0.26 -0.23 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 1jww h LYS 23 Cb 0.56 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1jww h LYS 23 CO -0.77 0.82 0.39 0.00 -0.57 0.00 0.00 179.45 179.32 1jww h ARG 24 N 0.00 0.23 0.11 3.15 2.47 -0.09 -1.39 114.38 118.88 1jww h ARG 24 Ca 0.01 -0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1jww h ARG 24 Cb 0.78 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1jww h ARG 24 CO 0.05 0.15 -1.53 -0.07 0.56 0.00 0.00 179.97 179.13 1jww h LEU 25 N 0.24 0.37 -1.82 3.04 3.38 -0.18 -3.32 115.31 117.02 1jww h LEU 25 Ca 0.27 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.85 1jww h LEU 25 Cb 0.74 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1jww h LEU 25 CO -0.05 1.43 0.39 -1.13 0.09 0.00 0.00 178.44 179.17 1jww h ASN 26 N 0.07 0.17 -0.83 -0.43 -0.73 0.59 0.21 115.58 114.62 1jww h ASN 26 Ca -0.24 0.01 0.24 0.00 1.87 0.00 0.00 56.30 58.18 1jww h ASN 26 Cb 2.01 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 40.54 1jww h ASN 26 CO 0.16 0.10 0.65 0.11 -0.37 0.00 0.00 177.43 178.08 1jww h LYS 27 N 0.19 0.00 -5.86 6.67 6.56 -1.48 -3.38 116.57 119.27 1jww h LYS 27 Ca 0.27 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.33 1jww h LYS 27 Cb 0.81 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1jww h LYS 27 CO -0.05 0.00 1.52 0.42 -2.06 0.00 0.00 179.45 179.29 1jww s ILE 28 N -4.87 3.08 0.58 1.86 -1.09 0.73 -4.84 121.20 116.65 1jww s ILE 28 Ca -0.05 0.07 0.28 0.00 -2.23 0.00 0.00 60.65 58.72 1jww s ILE 28 Cb 0.20 -3.15 0.35 0.00 -1.58 0.00 0.00 42.46 38.28 1jww s ILE 28 CO 0.72 -0.12 2.16 -0.33 -1.23 0.00 0.00 174.94 176.13 1jww h GLU 29 N 16.80 0.00 -0.70 2.79 5.08 -1.87 -0.22 114.58 136.47 1jww h GLU 29 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1jww h GLU 29 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1jww h GLU 29 CO 1.07 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.49 1jww n GLY 30 N -1.40 2.03 3.84 -3.84 0.00 -1.26 -4.94 105.19 99.62 1jww n GLY 30 Ca -0.00 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.86 4.44 -0.00 1.61 0.11 -0.10 -0.61 120.40 123.99 1jww s VAL 31 Ca 0.29 1.21 -0.06 0.00 -2.93 0.00 0.00 61.98 60.49 1jww s VAL 31 Cb 0.21 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.37 1jww s VAL 31 CO 0.11 -0.63 -0.12 0.00 -3.33 0.00 0.00 175.10 171.12 1jww n ALA 32 N -1.52 2.25 -2.48 1.54 0.00 0.52 -4.90 120.51 115.92 1jww n ALA 32 Ca 0.07 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 1jww n ALA 32 Cb 0.54 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 20.06 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 -5.97 1.21 -0.38 0.00 0.01 -0.34 -5.01 114.94 104.46 1jww s ASN 33 Ca -0.10 -0.81 0.10 0.00 -0.71 0.00 0.00 52.86 51.34 1jww s ASN 33 Cb 0.01 0.04 0.30 0.00 0.41 0.00 0.00 41.25 42.01 1jww s ASN 33 CO 0.15 -0.31 0.62 0.00 -1.51 0.00 0.00 177.10 176.05 1jww n ALA 34 N 0.60 2.17 -1.59 0.60 0.00 -1.26 -0.32 120.51 120.71 1jww n ALA 34 Ca -0.17 -3.36 -0.41 0.00 0.00 0.00 0.00 53.44 49.50 1jww n ALA 34 Cb 0.58 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 0.89 2.76 -1.67 0.00 -0.04 -1.18 -4.74 135.00 131.03 1jww n PRO 35 Ca 0.23 -2.44 -0.33 0.00 -0.04 0.00 0.00 63.50 60.92 1jww n PRO 35 Cb 0.59 -3.17 0.06 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 3.32 3.13 -0.08 0.52 -7.23 -1.25 -4.33 120.40 114.47 1jww s VAL 36 Ca 0.51 0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.09 1jww s VAL 36 Cb 0.14 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 1jww s VAL 36 CO -0.06 -0.34 0.24 0.20 -0.31 0.00 0.00 175.10 174.83 1jww s ASN 37 N -2.59 6.53 -0.44 4.85 0.01 -0.38 -4.91 114.94 118.01 1jww s ASN 37 Ca 0.67 0.63 0.05 0.00 -0.71 0.00 0.00 52.86 53.50 1jww s ASN 37 Cb -0.21 -2.14 0.42 0.00 0.41 0.00 0.00 41.25 39.73 1jww s ASN 37 CO 0.43 0.35 1.21 2.22 -1.51 0.00 0.00 177.10 179.80 1jww n PHE 38 N 2.08 3.24 0.00 2.20 -1.74 -1.26 -4.37 117.46 117.61 1jww n PHE 38 Ca -0.17 -2.87 0.00 0.00 -0.56 0.00 0.00 57.45 53.84 1jww n PHE 38 Cb 0.54 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.30 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 -0.54 0.00 0.28 1.98 0.00 -1.26 -4.43 120.51 116.54 1jww n ALA 39 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.98 1jww n ALA 39 Cb 0.70 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.33 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 -1.72 0.00 3.38 -1.98 -3.48 115.31 111.51 1jww h LEU 40 Ca 0.00 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1jww h LEU 40 Cb 0.00 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.91 1jww h LEU 40 CO 0.00 0.00 -0.73 -0.62 0.09 0.00 0.00 178.44 177.18 1jww n GLU 41 N -2.88 -5.98 -3.74 1.13 1.02 -1.26 -5.04 120.64 103.89 1jww n GLU 41 Ca 0.04 0.80 -0.16 0.00 -0.02 0.00 0.00 57.16 57.81 1jww n GLU 41 Cb 0.51 -5.67 -0.17 0.00 -0.02 0.00 0.00 31.44 26.10 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 -3.34 -0.08 -0.17 2.62 -4.23 -1.26 -3.73 115.64 105.46 1jww s THR 42 Ca 0.03 0.28 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 1jww s THR 42 Cb -0.00 -0.10 -0.05 0.00 1.34 0.00 0.00 72.50 73.69 1jww s THR 42 CO 0.69 0.12 0.25 -0.69 -0.54 0.00 0.00 174.62 174.45 1jww s VAL 43 N 1.41 5.33 -0.16 2.29 1.01 -0.46 -1.25 120.40 128.58 1jww s VAL 43 Ca -0.05 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 1jww s VAL 43 Cb -0.13 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1jww s VAL 43 CO -0.03 0.41 -0.06 -0.89 0.00 0.00 0.00 175.10 174.53 1jww s THR 44 N 0.36 3.59 -0.03 3.92 2.01 -1.26 -0.40 115.64 123.82 1jww s THR 44 Ca 0.15 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.73 1jww s THR 44 Cb -0.13 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1jww s THR 44 CO 0.03 0.49 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 1jww s VAL 45 N 0.54 1.29 -0.42 3.82 1.01 -0.08 -3.08 120.40 123.48 1jww s VAL 45 Ca -0.05 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 1jww s VAL 45 Cb -0.15 -1.10 0.08 0.00 0.00 0.00 0.00 36.38 35.22 1jww s VAL 45 CO 0.03 0.37 0.25 -0.70 0.00 0.00 0.00 175.10 175.05 1jww s GLU 46 N -0.13 2.56 0.17 2.72 2.12 0.57 -0.75 118.70 125.96 1jww s GLU 46 Ca 0.01 -1.48 -0.04 0.00 0.36 0.00 0.00 54.97 53.81 1jww s GLU 46 Cb -0.09 -3.76 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1jww s GLU 46 CO 0.01 -0.96 0.18 1.52 -0.54 0.00 0.00 175.26 175.47 1jww s TYR 47 N 1.40 0.76 -0.13 5.30 1.13 0.05 -0.35 117.35 125.51 1jww s TYR 47 Ca 0.03 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.57 1jww s TYR 47 Cb -0.23 -0.31 -0.03 0.00 -1.10 0.00 0.00 41.96 40.29 1jww s TYR 47 CO 0.02 -0.66 -0.02 0.54 -2.51 0.00 0.00 175.55 172.92 1jww s ASN 48 N -3.05 5.00 -1.42 -0.18 2.20 0.22 -0.18 114.94 117.53 1jww s ASN 48 Ca 0.26 -0.01 -0.11 0.00 -0.94 0.00 0.00 52.86 52.06 1jww s ASN 48 Cb 0.05 -1.64 -0.06 0.00 -2.00 0.00 0.00 41.25 37.60 1jww s ASN 48 CO 0.05 0.25 2.62 -0.81 -2.94 0.00 0.00 177.10 176.27 1jww n PRO 49 N 2.97 3.13 0.00 3.55 -0.04 -1.26 -3.72 135.00 139.64 1jww n PRO 49 Ca -0.18 -2.11 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1jww n PRO 49 Cb 0.53 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 4.32 0.00 -0.10 0.54 2.85 -1.26 -4.95 118.16 119.56 1jww n LYS 50 Ca 0.66 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.73 1jww n LYS 50 Cb 0.25 -0.51 -0.10 0.00 -0.65 0.00 0.00 35.03 34.03 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1jww n GLU 51 N -2.75 0.55 -4.42 -1.58 4.07 -1.24 -5.00 120.64 110.26 1jww n GLU 51 Ca 0.00 0.56 -0.22 0.00 -0.06 0.00 0.00 57.16 57.44 1jww n GLU 51 Cb 0.39 -1.73 -0.09 0.00 -0.06 0.00 0.00 31.44 29.95 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jww s ALA 52 N -2.44 2.38 0.33 4.31 0.00 -1.26 -4.89 121.76 120.19 1jww s ALA 52 Ca -0.27 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.12 1jww s ALA 52 Cb 0.06 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1jww s ALA 52 CO 0.52 -0.41 0.21 -1.54 0.00 0.00 0.00 175.76 174.55 1jww s SER 53 N -3.48 1.79 0.25 0.00 1.04 -1.26 -4.39 113.70 107.65 1jww s SER 53 Ca 0.32 -1.68 -0.11 0.00 0.48 0.00 0.00 55.95 54.95 1jww s SER 53 Cb 0.05 0.51 0.36 0.00 0.10 0.00 0.00 66.02 67.03 1jww s SER 53 CO 0.16 -0.99 1.58 0.58 0.98 0.00 0.00 173.24 175.55 1jww h VAL 54 N 2.11 0.10 -0.99 5.02 2.07 -2.00 0.71 116.25 123.28 1jww h VAL 54 Ca -0.30 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.42 1jww h VAL 54 Cb 1.25 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 1jww h VAL 54 CO 0.45 0.00 0.61 0.28 0.02 0.00 0.00 177.57 178.93 1jww h SER 55 N -0.01 0.71 0.43 0.57 0.02 -1.97 0.71 113.55 114.00 1jww h SER 55 Ca 0.40 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1jww h SER 55 Cb 0.64 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1jww h SER 55 CO -0.91 0.26 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.06 1jww h ASP 56 N 0.69 -0.49 -0.70 3.07 1.82 -1.25 -1.09 116.42 118.48 1jww h ASP 56 Ca 0.55 -0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 57.09 1jww h ASP 56 Cb 0.95 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 41.06 1jww h ASP 56 CO -0.33 -0.06 0.25 0.17 -1.61 0.00 0.00 179.24 177.67 1jww h LEU 57 N -1.08 0.99 -0.87 2.28 8.10 -1.34 0.29 115.31 123.67 1jww h LEU 57 Ca -0.06 -0.19 0.21 0.00 0.11 0.00 0.00 57.88 57.95 1jww h LEU 57 Cb 0.52 -0.26 -0.16 0.00 -0.44 0.00 0.00 40.66 40.32 1jww h LEU 57 CO 0.10 0.91 -0.02 0.50 -4.11 0.00 0.00 178.44 175.81 1jww h LYS 58 N 1.01 0.06 -0.69 0.17 3.11 -0.93 -0.43 116.57 118.86 1jww h LYS 58 Ca 0.23 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.05 1jww h LYS 58 Cb 0.25 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.43 1jww h LYS 58 CO -0.01 0.04 0.36 1.49 -2.81 0.00 0.00 179.45 178.52 1jww h GLU 59 N 0.06 0.98 -0.31 1.90 4.81 0.90 0.29 114.58 123.21 1jww h GLU 59 Ca 0.48 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.63 1jww h GLU 59 Cb 0.90 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.05 1jww h GLU 59 CO -0.80 0.75 0.05 0.00 -0.73 0.00 0.00 179.01 178.28 1jww h ALA 60 N 1.18 0.31 -0.22 2.92 0.00 -0.28 0.22 119.26 123.40 1jww h ALA 60 Ca 0.24 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1jww h ALA 60 Cb 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jww h ALA 60 CO -0.04 -0.36 0.10 0.28 0.00 0.00 0.00 179.25 179.23 1jww h VAL 61 N 0.16 1.14 -0.87 0.00 2.07 -0.98 -0.00 116.25 117.77 1jww h VAL 61 Ca 0.14 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1jww h VAL 61 Cb 0.16 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 1jww h VAL 61 CO -0.20 0.14 0.56 -0.78 0.02 0.00 0.00 177.57 177.31 1jww h ASP 62 N 0.21 0.77 0.87 0.57 1.82 0.29 -0.92 116.42 120.03 1jww h ASP 62 Ca 0.07 0.02 -0.22 0.00 -0.39 0.00 0.00 57.03 56.51 1jww h ASP 62 Cb 0.13 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 1jww h ASP 62 CO -0.01 0.46 -1.05 0.50 -1.61 0.00 0.00 179.24 177.53 1jww h LYS 63 N 0.85 0.09 -0.70 0.28 3.64 -0.46 -2.71 116.57 117.56 1jww h LYS 63 Ca 0.40 -0.14 0.13 0.00 -1.27 0.00 0.00 60.65 59.77 1jww h LYS 63 Cb 0.41 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.19 1jww h LYS 63 CO -0.17 1.05 0.24 -0.07 -2.27 0.00 0.00 179.45 178.24 1jww h LEU 64 N 0.03 0.19 0.00 5.20 3.38 0.32 -3.47 115.31 120.95 1jww h LEU 64 Ca -0.05 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jww h LEU 64 Cb 1.79 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1jww h LEU 64 CO 0.15 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1jww n GLY 65 N -1.32 3.70 3.92 0.83 0.00 -0.65 -5.10 105.19 106.56 1jww n GLY 65 Ca 0.12 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 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 3.54 0.42 1.61 1.13 -1.24 -4.92 117.35 117.88 1jww s TYR 66 Ca 0.00 0.66 -0.01 0.00 -1.41 0.00 0.00 57.07 56.31 1jww s TYR 66 Cb 0.00 -2.16 -0.03 0.00 -1.10 0.00 0.00 41.96 38.67 1jww s TYR 66 CO 0.00 -0.12 0.66 0.21 -2.51 0.00 0.00 175.55 173.79 1jww s LYS 67 N -4.51 3.38 0.03 -3.49 2.20 -1.20 -3.33 119.74 112.81 1jww s LYS 67 Ca 0.45 -0.21 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 1jww s LYS 67 Cb -0.10 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1jww s LYS 67 CO 0.41 -0.08 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.08 1jww s LEU 68 N -4.51 2.21 0.12 5.43 2.96 -1.26 -3.24 118.68 120.38 1jww s LEU 68 Ca 0.44 -0.46 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 1jww s LEU 68 Cb -0.10 -0.18 0.04 0.00 0.50 0.00 0.00 46.19 46.45 1jww s LEU 68 CO 0.39 -0.16 0.42 -0.54 -1.32 0.00 0.00 176.35 175.15 1jww s LYS 69 N -1.30 1.07 0.62 1.98 -0.14 -1.12 -4.96 119.74 115.90 1jww s LYS 69 Ca -0.08 -0.65 -0.17 0.00 -1.36 0.00 0.00 55.97 53.71 1jww s LYS 69 Cb -0.08 0.47 -0.02 0.00 -1.68 0.00 0.00 37.83 36.52 1jww s LYS 69 CO 0.00 -0.42 1.16 -1.17 -0.76 0.00 0.00 175.35 174.17 1jww s LEU 70 N -2.72 3.55 -0.12 3.17 2.96 -1.26 -0.20 118.68 124.06 1jww s LEU 70 Ca 0.02 2.23 -0.10 0.00 -0.22 0.00 0.00 54.13 56.06 1jww s LEU 70 Cb 0.01 -4.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.07 1jww s LEU 70 CO -0.11 -1.63 -0.22 1.17 -1.32 0.00 0.00 176.35 174.24 1jww n LYS 71 N -1.93 0.35 0.00 1.98 3.00 0.69 -4.61 118.16 117.64 1jww n LYS 71 Ca 0.12 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1jww n LYS 71 Cb 0.51 -1.10 0.00 0.00 0.00 0.00 0.00 35.03 34.44 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 2.07 -1.63 3.47 3.14 0.00 -1.07 -5.00 105.19 106.17 1jww n GLY 72 Ca -0.21 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 0.95 0.01 1.61 -1.05 -1.26 -1.17 118.70 117.78 1jww s GLU 73 Ca 0.00 0.25 -0.22 0.00 -0.15 0.00 0.00 54.97 54.84 1jww s GLU 73 Cb 0.00 0.45 -0.18 0.00 -0.44 0.00 0.00 34.13 33.96 1jww s GLU 73 CO 0.00 -0.27 1.26 -0.56 0.95 0.00 0.00 175.26 176.63 1jww h GLN 74 N 3.41 0.24 -1.38 -4.83 3.07 -1.80 -3.42 115.11 110.41 1jww h GLN 74 Ca -0.28 -0.15 0.15 0.00 0.09 0.00 0.00 58.65 58.46 1jww h GLN 74 Cb 1.15 0.02 -0.24 0.00 0.08 0.00 0.00 27.48 28.48 1jww h GLN 74 CO 0.36 0.73 0.71 0.34 0.09 0.00 0.00 178.83 181.06 1jww s ASP 75 N -6.08 -0.24 -0.58 0.06 -1.08 -1.26 -5.10 116.67 102.38 1jww s ASP 75 Ca -0.15 0.25 0.06 0.00 -0.52 0.00 0.00 52.55 52.19 1jww s ASP 75 Cb 0.03 0.20 0.21 0.00 -1.46 0.00 0.00 42.92 41.90 1jww s ASP 75 CO 0.73 -0.23 0.56 -0.24 0.52 0.00 0.00 175.17 176.52 1jww n SER 76 N 0.62 2.21 0.16 -0.34 2.88 -1.26 -4.86 113.62 113.03 1jww n SER 76 Ca -0.06 -3.06 0.13 0.00 -1.33 0.00 0.00 58.87 54.55 1jww n SER 76 Cb 0.58 -0.68 0.35 0.00 -0.75 0.00 0.00 64.21 63.72 1jww n SER 76 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1jww h ILE 77 N 3.65 0.00 -6.24 2.46 3.07 -1.99 -3.48 117.51 114.98 1jww h ILE 77 Ca 0.17 -0.63 -0.31 0.00 1.55 0.00 0.00 64.86 65.65 1jww h ILE 77 Cb 0.77 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1jww h ILE 77 CO 0.66 0.00 -0.78 1.21 -1.05 0.00 0.00 178.15 178.18 1jww n GLU 78 N -2.60 -1.62 -0.38 0.16 2.13 -1.26 -4.98 120.64 112.10 1jww n GLU 78 Ca 0.04 1.17 0.00 0.00 0.66 0.00 0.00 57.16 59.03 1jww n GLU 78 Cb 0.44 -3.43 0.00 0.00 0.27 0.00 0.00 31.44 28.71 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 -1.34 2.02 0.00 8.31 0.00 -1.26 -5.31 105.19 107.61 1jww n GLY 79 Ca -0.17 -0.77 0.13 0.00 0.00 0.00 0.00 46.02 45.21 1jww n GLY 79 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36