#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 0.18 0.09 1.55 -4.23 -1.26 -4.60 115.64 107.37 1jww s THR 2 Ca 0.00 -1.51 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 1jww s THR 2 Cb 0.00 -1.36 -0.03 0.00 1.34 0.00 0.00 72.50 72.45 1jww s THR 2 CO 0.00 -0.84 -0.25 -0.70 -0.54 0.00 0.00 174.62 172.30 1jww s GLU 3 N -3.67 1.45 -0.07 3.99 2.12 0.58 -4.86 118.70 118.24 1jww s GLU 3 Ca 0.04 -1.19 -0.21 0.00 0.36 0.00 0.00 54.97 53.97 1jww s GLU 3 Cb 0.05 -1.76 -0.04 0.00 0.26 0.00 0.00 34.13 32.64 1jww s GLU 3 CO -0.09 0.43 0.61 0.15 -0.54 0.00 0.00 175.26 175.82 1jww s LYS 4 N -1.67 4.39 -0.08 4.30 3.01 -1.26 -1.19 119.74 127.23 1jww s LYS 4 Ca 0.11 0.71 -0.06 0.00 -1.01 0.00 0.00 55.97 55.73 1jww s LYS 4 Cb -0.10 -3.42 0.03 0.00 -1.01 0.00 0.00 37.83 33.33 1jww s LYS 4 CO 0.04 0.15 0.20 0.00 0.51 0.00 0.00 175.35 176.25 1jww s ALA 5 N 0.56 -0.46 0.11 5.17 0.00 0.06 -4.63 121.76 122.57 1jww s ALA 5 Ca 0.33 0.68 0.10 0.00 0.00 0.00 0.00 51.96 53.06 1jww s ALA 5 Cb -0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1jww s ALA 5 CO 0.15 -0.13 -0.24 -1.21 0.00 0.00 0.00 175.76 174.33 1jww s GLU 6 N 0.56 1.31 -0.01 0.00 2.02 -0.37 -0.61 118.70 121.61 1jww s GLU 6 Ca -0.04 -1.24 0.01 0.00 0.02 0.00 0.00 54.97 53.72 1jww s GLU 6 Cb -0.05 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.50 1jww s GLU 6 CO -0.03 0.40 -0.04 -0.06 0.02 0.00 0.00 175.26 175.55 1jww s PHE 7 N -1.07 0.45 -0.03 1.61 0.40 0.10 -0.29 117.98 119.14 1jww s PHE 7 Ca 0.11 -0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.21 1jww s PHE 7 Cb -0.10 -0.33 -0.05 0.00 0.51 0.00 0.00 43.02 43.05 1jww s PHE 7 CO 0.05 -0.04 0.38 -0.51 0.70 0.00 0.00 175.22 175.81 1jww s ASP 8 N 0.10 6.73 -0.13 1.36 1.11 0.81 -1.18 116.67 125.48 1jww s ASP 8 Ca -0.01 0.87 -0.02 0.00 0.18 0.00 0.00 52.55 53.57 1jww s ASP 8 Cb -0.04 -2.24 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 1jww s ASP 8 CO -0.00 0.28 -0.05 -0.63 1.18 0.00 0.00 175.17 175.94 1jww s ILE 9 N -0.76 3.76 -0.42 0.77 -1.09 -1.20 -1.98 121.20 120.27 1jww s ILE 9 Ca 0.23 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1jww s ILE 9 Cb -0.16 -2.61 0.12 0.00 -1.58 0.00 0.00 42.46 38.23 1jww s ILE 9 CO 0.12 0.52 0.17 -1.61 -1.23 0.00 0.00 174.94 172.91 1jww s GLU 10 N 0.07 1.48 0.00 2.79 2.02 -0.13 -4.92 118.70 120.01 1jww s GLU 10 Ca -0.01 -2.04 0.00 0.00 0.02 0.00 0.00 54.97 52.94 1jww s GLU 10 Cb -0.14 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1jww s GLU 10 CO 0.03 -1.06 0.00 0.41 0.02 0.00 0.00 175.26 174.66 1jww n GLY 11 N 3.79 -0.76 3.24 -1.39 0.00 -1.26 -0.90 105.19 107.90 1jww n GLY 11 Ca 0.05 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.39 -0.00 1.61 0.23 -1.26 -5.06 119.30 115.21 1jww s MET 12 Ca 0.00 0.56 0.14 0.00 -1.03 0.00 0.00 55.69 55.36 1jww s MET 12 Cb 0.00 0.13 0.23 0.00 -1.53 0.00 0.00 34.83 33.66 1jww s MET 12 CO 0.00 -0.08 1.09 0.25 -2.03 0.00 0.00 175.02 174.25 1jww n THR 13 N 3.30 0.00 -0.03 3.16 -2.24 -1.26 -4.71 114.28 112.50 1jww n THR 13 Ca -0.16 -0.55 -0.02 0.00 -2.27 0.00 0.00 64.05 61.04 1jww n THR 13 Cb 0.57 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 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 -2.90 0.00 -0.03 0.00 0.00 -1.26 -4.47 120.51 111.85 1jww n ALA 15 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.24 1jww n ALA 15 Cb 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 0.37 -0.09 0.00 0.00 -1.97 0.31 119.26 117.87 1jww h ALA 16 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1jww h ALA 16 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1jww h ALA 16 CO 0.00 0.69 0.06 0.00 0.00 0.00 0.00 179.25 180.00 1jww h ALA 18 N 1.02 0.92 -0.76 0.00 0.00 -1.81 -2.33 119.26 116.29 1jww h ALA 18 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1jww h ALA 18 Cb 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 1jww h ALA 18 CO -0.01 0.11 0.43 -0.97 0.00 0.00 0.00 179.25 178.81 1jww h ASN 19 N 0.75 0.62 -0.54 0.00 -0.00 0.39 -1.00 115.58 115.80 1jww h ASN 19 Ca 0.30 0.04 0.03 0.00 -0.00 0.00 0.00 56.30 56.67 1jww h ASN 19 Cb 0.14 -0.08 -0.03 0.00 -0.00 0.00 0.00 38.32 38.36 1jww h ASN 19 CO -0.16 0.38 0.36 -0.09 -0.00 0.00 0.00 177.43 177.91 1jww h ARG 20 N 0.75 0.60 -0.89 6.67 2.43 -0.58 0.13 114.38 123.49 1jww h ARG 20 Ca 0.36 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.65 1jww h ARG 20 Cb 0.29 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 1jww h ARG 20 CO -0.22 0.40 0.48 0.82 -1.51 0.00 0.00 179.97 179.94 1jww h ILE 21 N 0.62 0.73 -0.41 1.20 1.08 -1.11 0.18 117.51 119.80 1jww h ILE 21 Ca 0.22 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 1jww h ILE 21 Cb 0.09 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 33.77 1jww h ILE 21 CO -0.06 0.12 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.09 1jww h GLU 22 N 0.67 -0.01 -0.17 2.37 5.08 -0.74 0.41 114.58 122.18 1jww h GLU 22 Ca 0.49 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1jww h GLU 22 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1jww h GLU 22 CO -0.37 -0.01 -0.16 0.87 -1.00 0.00 0.00 179.01 178.35 1jww h LYS 23 N -0.01 0.41 -0.08 2.33 1.57 -1.53 0.18 116.57 119.44 1jww h LYS 23 Ca 0.20 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1jww h LYS 23 Cb 0.31 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1jww h LYS 23 CO -0.43 0.77 -0.06 0.00 -0.57 0.00 0.00 179.45 179.17 1jww h ARG 24 N 0.06 0.11 0.00 3.15 2.47 -0.07 -1.16 114.38 118.95 1jww h ARG 24 Ca 0.03 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1jww h ARG 24 Cb 0.69 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 1jww h ARG 24 CO 0.04 0.19 -0.00 -0.07 0.56 0.00 0.00 179.97 180.69 1jww h LEU 25 N 0.11 -0.00 -1.78 3.04 3.38 -0.21 -3.32 115.31 116.52 1jww h LEU 25 Ca 0.03 -0.92 0.25 0.00 0.09 0.00 0.00 57.88 57.33 1jww h LEU 25 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1jww h LEU 25 CO 0.01 0.94 0.79 -1.13 0.09 0.00 0.00 178.44 179.14 1jww h ASN 26 N -0.96 0.00 -0.51 -0.43 -0.73 -0.21 0.93 115.58 113.67 1jww h ASN 26 Ca -0.00 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.26 1jww h ASN 26 Cb 0.92 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.44 1jww h ASN 26 CO 0.00 0.00 0.09 0.50 -0.37 0.00 0.00 177.43 177.65 1jww h LYS 27 N 0.00 0.22 -6.46 6.67 3.64 -1.32 -3.43 116.57 115.88 1jww h LYS 27 Ca 0.42 -0.01 -0.61 0.00 -1.27 0.00 0.00 60.65 59.17 1jww h LYS 27 Cb 2.00 -0.05 0.07 0.00 -0.41 0.00 0.00 32.23 33.84 1jww h LYS 27 CO -0.00 0.14 0.61 -0.89 -2.27 0.00 0.00 179.45 177.04 1jww n ILE 28 N -5.13 0.38 -0.03 2.00 -0.00 0.32 -4.92 119.36 111.97 1jww n ILE 28 Ca 0.06 -0.10 -0.13 0.00 -0.00 0.00 0.00 62.75 62.58 1jww n ILE 28 Cb 0.26 -1.28 -0.09 0.00 -0.00 0.00 0.00 39.64 38.53 1jww n ILE 28 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1jww h GLU 29 N 4.83 0.18 -1.74 0.38 3.07 -1.87 -3.19 114.58 116.24 1jww h GLU 29 Ca -0.45 -0.10 -0.17 0.00 -0.50 0.00 0.00 59.36 58.14 1jww h GLU 29 Cb 1.29 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.13 1jww h GLU 29 CO 0.80 0.63 0.21 0.41 -1.40 0.00 0.00 179.01 179.67 1jww n GLY 30 N 0.26 3.31 3.92 -3.84 0.00 -1.26 -4.86 105.19 102.71 1jww n GLY 30 Ca -0.07 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.17 5.39 0.02 1.61 0.11 -1.21 -0.36 120.40 124.79 1jww s VAL 31 Ca 0.16 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1jww s VAL 31 Cb 0.12 -3.62 -0.00 0.00 -1.53 0.00 0.00 36.38 31.35 1jww s VAL 31 CO -0.00 0.16 -0.02 0.00 -3.33 0.00 0.00 175.10 171.91 1jww n ALA 32 N 0.36 2.91 -2.68 1.54 0.00 0.25 -4.95 120.51 117.95 1jww n ALA 32 Ca -0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1jww n ALA 32 Cb 0.51 0.39 -0.10 0.00 0.00 0.00 0.00 19.45 20.26 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 -5.44 0.23 -0.41 0.00 0.01 -0.19 -5.01 114.94 104.13 1jww s ASN 33 Ca -0.02 -0.59 0.09 0.00 -0.71 0.00 0.00 52.86 51.63 1jww s ASN 33 Cb 0.00 0.20 0.31 0.00 0.41 0.00 0.00 41.25 42.18 1jww s ASN 33 CO 0.02 -0.49 0.80 0.00 -1.51 0.00 0.00 177.10 175.93 1jww n ALA 34 N 0.82 1.05 -1.86 0.60 0.00 -1.26 -0.20 120.51 119.65 1jww n ALA 34 Ca -0.19 -2.72 -0.41 0.00 0.00 0.00 0.00 53.44 50.11 1jww n ALA 34 Cb 0.58 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 0.64 2.56 -1.62 0.00 -0.04 -1.14 -4.77 135.00 130.62 1jww n PRO 35 Ca 0.18 -2.61 -0.33 0.00 -0.04 0.00 0.00 63.50 60.70 1jww n PRO 35 Cb 0.64 -3.31 0.06 0.00 -0.04 0.00 0.00 33.50 30.85 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 4.53 3.12 -0.18 0.52 -7.23 -1.26 -4.34 120.40 115.57 1jww s VAL 36 Ca 0.53 0.49 -0.11 0.00 -1.81 0.00 0.00 61.98 61.09 1jww s VAL 36 Cb 0.10 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1jww s VAL 36 CO 0.01 -0.35 0.17 0.20 -0.31 0.00 0.00 175.10 174.83 1jww s ASN 37 N -2.64 6.29 -0.69 4.85 0.01 0.15 -4.92 114.94 118.00 1jww s ASN 37 Ca 0.67 0.34 0.04 0.00 -0.71 0.00 0.00 52.86 53.19 1jww s ASN 37 Cb -0.21 -2.11 0.33 0.00 0.41 0.00 0.00 41.25 39.67 1jww s ASN 37 CO 0.44 0.19 1.13 2.22 -1.51 0.00 0.00 177.10 179.58 1jww n PHE 38 N 3.30 3.73 0.00 2.20 -1.74 -1.26 -4.11 117.46 119.58 1jww n PHE 38 Ca -0.16 -3.68 0.00 0.00 -0.56 0.00 0.00 57.45 53.06 1jww n PHE 38 Cb 0.52 -0.66 0.00 0.00 1.52 0.00 0.00 39.48 40.86 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 -0.11 0.00 1.48 1.98 0.00 -0.95 -4.62 120.51 118.28 1jww n ALA 39 Ca 0.34 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.92 1jww n ALA 39 Cb 0.36 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.39 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 0.00 0.85 -3.36 0.00 4.77 -1.26 -4.95 117.00 113.04 1jww n LEU 40 Ca 0.00 -0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 55.57 1jww n LEU 40 Cb 0.00 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1jww n LEU 40 CO 0.00 0.15 0.19 -0.62 -1.33 0.00 0.00 177.39 175.77 1jww n GLU 41 N -0.55 -7.04 -3.75 3.23 1.02 -1.26 -4.98 120.64 107.31 1jww n GLU 41 Ca 0.17 0.79 -0.14 0.00 -0.02 0.00 0.00 57.16 57.95 1jww n GLU 41 Cb 0.29 -5.68 -0.15 0.00 -0.02 0.00 0.00 31.44 25.89 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 -3.31 -0.06 -0.17 2.62 -4.23 -1.26 -3.23 115.64 106.00 1jww s THR 42 Ca 0.35 0.20 -0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1jww s THR 42 Cb -0.15 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 1jww s THR 42 CO 0.69 0.08 0.10 -0.69 -0.54 0.00 0.00 174.62 174.26 1jww s VAL 43 N 1.17 5.18 -0.16 2.29 1.01 -0.32 -0.67 120.40 128.90 1jww s VAL 43 Ca -0.09 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1jww s VAL 43 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1jww s VAL 43 CO -0.05 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.46 1jww s THR 44 N 0.04 1.88 0.07 3.92 2.01 -1.26 -0.72 115.64 121.58 1jww s THR 44 Ca 0.08 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.31 1jww s THR 44 Cb -0.12 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1jww s THR 44 CO -0.00 0.51 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.55 1jww s VAL 45 N 1.20 1.68 -0.39 3.82 1.01 0.22 -2.90 120.40 125.04 1jww s VAL 45 Ca 0.01 -1.38 0.02 0.00 0.00 0.00 0.00 61.98 60.64 1jww s VAL 45 Cb -0.14 -1.49 0.11 0.00 0.00 0.00 0.00 36.38 34.86 1jww s VAL 45 CO -0.09 0.06 0.15 -0.70 0.00 0.00 0.00 175.10 174.52 1jww s GLU 46 N -1.56 1.34 0.14 2.72 -6.30 0.72 -0.76 118.70 114.99 1jww s GLU 46 Ca 0.07 -1.85 -0.09 0.00 -2.50 0.00 0.00 54.97 50.59 1jww s GLU 46 Cb -0.09 -2.72 -0.00 0.00 0.00 0.00 0.00 34.13 31.31 1jww s GLU 46 CO 0.03 -1.04 0.27 1.52 0.02 0.00 0.00 175.26 176.07 1jww s TYR 47 N 0.72 0.28 -0.13 5.30 1.13 -0.33 -0.58 117.35 123.74 1jww s TYR 47 Ca 0.13 -0.66 -0.15 0.00 -1.41 0.00 0.00 57.07 54.98 1jww s TYR 47 Cb -0.21 -0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.57 1jww s TYR 47 CO -0.09 -0.68 0.34 0.54 -2.51 0.00 0.00 175.55 173.15 1jww s ASN 48 N -2.93 6.53 -1.47 -0.18 2.20 0.51 -0.31 114.94 119.29 1jww s ASN 48 Ca 0.13 0.62 -0.10 0.00 -0.94 0.00 0.00 52.86 52.57 1jww s ASN 48 Cb 0.04 -2.21 -0.08 0.00 -2.00 0.00 0.00 41.25 37.00 1jww s ASN 48 CO -0.04 0.12 2.74 -0.81 -2.94 0.00 0.00 177.10 176.17 1jww n PRO 49 N 3.33 3.31 0.00 3.55 -0.04 -1.26 -3.84 135.00 140.06 1jww n PRO 49 Ca -0.11 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.27 1jww n PRO 49 Cb 0.52 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.92 0.00 0.03 0.54 -0.00 -1.26 -4.91 118.16 116.47 1jww n LYS 50 Ca 0.70 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.83 1jww n LYS 50 Cb 0.22 -0.24 -0.14 0.00 -0.00 0.00 0.00 35.03 34.87 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 0.23 -4.84 -1.58 4.57 -1.90 -3.49 114.58 107.57 1jww h GLU 51 Ca 0.00 -0.40 -0.40 0.00 -1.18 0.00 0.00 59.36 57.38 1jww h GLU 51 Cb 0.03 0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 28.63 1jww h GLU 51 CO 0.00 1.07 -0.55 0.00 -1.18 0.00 0.00 179.01 178.35 1jww s ALA 52 N -2.59 1.84 0.37 2.92 0.00 -1.25 -4.84 121.76 118.20 1jww s ALA 52 Ca -0.14 -1.80 0.04 0.00 0.00 0.00 0.00 51.96 50.06 1jww s ALA 52 Cb 0.07 1.25 -0.03 0.00 0.00 0.00 0.00 23.12 24.40 1jww s ALA 52 CO 0.82 -0.55 0.13 -1.54 0.00 0.00 0.00 175.76 174.62 1jww s SER 53 N -3.35 2.37 0.33 0.00 1.04 -1.26 -4.25 113.70 108.59 1jww s SER 53 Ca 0.37 -1.61 0.11 0.00 0.48 0.00 0.00 55.95 55.30 1jww s SER 53 Cb 0.05 0.40 0.92 0.00 0.10 0.00 0.00 66.02 67.49 1jww s SER 53 CO 0.19 -0.89 1.75 -0.37 0.98 0.00 0.00 173.24 174.90 1jww h VAL 54 N 1.95 0.56 -0.95 5.02 -1.51 -2.00 -1.85 116.25 117.47 1jww h VAL 54 Ca -0.35 -0.19 0.04 0.00 -1.23 0.00 0.00 66.70 64.97 1jww h VAL 54 Cb 1.26 -0.06 -0.06 0.00 -2.13 0.00 0.00 31.29 30.31 1jww h VAL 54 CO 0.56 0.10 0.62 0.28 -1.23 0.00 0.00 177.57 177.90 1jww h SER 55 N 0.57 1.03 0.10 4.19 0.02 -1.97 0.67 113.55 118.14 1jww h SER 55 Ca 0.63 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1jww h SER 55 Cb 1.24 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1jww h SER 55 CO -0.42 0.70 -0.05 0.44 -1.14 0.00 0.00 176.83 176.36 1jww h ASP 56 N 1.19 -0.11 -0.58 3.07 5.19 -1.74 0.17 116.42 123.61 1jww h ASP 56 Ca 0.38 -0.44 -0.06 0.00 -0.62 0.00 0.00 57.03 56.30 1jww h ASP 56 Cb 0.02 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 1jww h ASP 56 CO -0.13 0.42 0.14 0.17 -3.12 0.00 0.00 179.24 176.72 1jww h LEU 57 N -0.70 0.89 -0.72 1.55 8.10 -1.45 -0.23 115.31 122.74 1jww h LEU 57 Ca -0.01 -0.24 0.15 0.00 0.11 0.00 0.00 57.88 57.89 1jww h LEU 57 Cb 0.54 -0.23 -0.14 0.00 -0.44 0.00 0.00 40.66 40.39 1jww h LEU 57 CO 0.02 0.89 -0.15 0.50 -4.11 0.00 0.00 178.44 175.60 1jww h LYS 58 N 0.84 0.02 -0.58 0.17 3.11 -0.88 -0.22 116.57 119.03 1jww h LYS 58 Ca 0.18 -0.00 0.10 0.00 -2.81 0.00 0.00 60.65 58.12 1jww h LYS 58 Cb 0.36 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.50 1jww h LYS 58 CO 0.00 0.01 0.16 1.49 -2.81 0.00 0.00 179.45 178.30 1jww h GLU 59 N 0.02 0.30 -0.29 1.90 4.22 0.93 0.23 114.58 121.89 1jww h GLU 59 Ca 0.36 -0.02 0.06 0.00 0.08 0.00 0.00 59.36 59.84 1jww h GLU 59 Cb 0.56 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1jww h GLU 59 CO -0.72 0.20 -0.08 0.00 -2.18 0.00 0.00 179.01 176.23 1jww h ALA 60 N 1.43 0.19 -0.36 2.92 0.00 0.54 0.15 119.26 124.14 1jww h ALA 60 Ca 0.30 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 1jww h ALA 60 Cb 0.40 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jww h ALA 60 CO -0.35 -0.47 0.05 0.28 0.00 0.00 0.00 179.25 178.77 1jww h VAL 61 N -0.00 1.24 -0.32 0.00 2.07 -0.83 -2.94 116.25 115.47 1jww h VAL 61 Ca 0.14 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1jww h VAL 61 Cb 0.22 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1jww h VAL 61 CO -0.30 0.29 0.17 -0.78 0.02 0.00 0.00 177.57 176.96 1jww h ASP 62 N 0.43 0.26 -0.72 0.57 3.58 0.52 -0.64 116.42 120.43 1jww h ASP 62 Ca 0.11 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.66 1jww h ASP 62 Cb 0.37 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 1jww h ASP 62 CO 0.01 0.19 0.47 0.50 -2.88 0.00 0.00 179.24 177.53 1jww h LYS 63 N 0.35 0.62 -0.95 0.28 3.11 -0.81 0.12 116.57 119.29 1jww h LYS 63 Ca 0.13 -0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.05 1jww h LYS 63 Cb 0.03 -0.14 -0.08 0.00 -1.00 0.00 0.00 32.23 31.04 1jww h LYS 63 CO -0.08 0.41 0.61 1.25 -2.81 0.00 0.00 179.45 178.82 1jww h LEU 64 N 0.63 0.83 0.00 5.20 7.12 -0.93 -3.47 115.31 124.70 1jww h LEU 64 Ca 0.33 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.38 1jww h LEU 64 Cb 0.43 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 1jww h LEU 64 CO -0.11 0.44 0.00 0.61 -0.13 0.00 0.00 178.44 179.25 1jww n GLY 65 N -1.38 2.20 3.93 3.75 0.00 0.43 -5.12 105.19 108.99 1jww n GLY 65 Ca 0.18 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.17 3.49 0.17 1.61 1.13 -1.25 -4.98 117.35 117.36 1jww s TYR 66 Ca 0.00 0.43 0.00 0.00 -1.41 0.00 0.00 57.07 56.09 1jww s TYR 66 Cb 0.00 -1.95 -0.04 0.00 -1.10 0.00 0.00 41.96 38.87 1jww s TYR 66 CO 0.00 0.17 0.34 0.15 -2.51 0.00 0.00 175.55 173.70 1jww s LYS 67 N -3.98 3.49 0.07 -3.49 1.02 -0.08 -3.41 119.74 113.36 1jww s LYS 67 Ca 0.41 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 56.02 1jww s LYS 67 Cb -0.10 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 1jww s LYS 67 CO 0.34 0.46 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.90 1jww s LEU 68 N -3.22 2.25 -0.04 3.17 2.96 -1.26 -0.96 118.68 121.58 1jww s LEU 68 Ca 0.37 -0.58 -0.18 0.00 -0.22 0.00 0.00 54.13 53.52 1jww s LEU 68 Cb -0.11 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 45.99 1jww s LEU 68 CO 0.29 -0.01 0.39 -0.75 -1.32 0.00 0.00 176.35 174.94 1jww s LYS 69 N -1.58 0.71 0.74 1.98 2.47 -0.84 -4.99 119.74 118.23 1jww s LYS 69 Ca 0.01 -0.01 -0.14 0.00 -1.56 0.00 0.00 55.97 54.27 1jww s LYS 69 Cb -0.09 0.32 0.05 0.00 -1.46 0.00 0.00 37.83 36.65 1jww s LYS 69 CO 0.02 -0.19 1.18 -1.17 0.16 0.00 0.00 175.35 175.35 1jww s LEU 70 N -1.10 3.26 0.06 5.43 2.96 -1.26 -0.13 118.68 127.90 1jww s LEU 70 Ca -0.11 2.26 -0.00 0.00 -0.22 0.00 0.00 54.13 56.05 1jww s LEU 70 Cb -0.04 -4.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.07 1jww s LEU 70 CO 0.05 -2.24 -0.01 1.17 -1.32 0.00 0.00 176.35 174.00 1jww n LYS 71 N -2.87 0.02 0.00 1.98 4.81 0.60 -4.66 118.16 118.04 1jww n LYS 71 Ca 0.13 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1jww n LYS 71 Cb 0.51 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 35.03 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 3.27 -1.55 3.62 3.14 0.00 -1.03 -5.01 105.19 107.63 1jww n GLY 72 Ca -0.01 0.69 -0.09 0.00 0.00 0.00 0.00 46.02 46.61 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 1.52 0.37 1.61 -1.05 -1.26 -1.24 118.70 118.64 1jww s GLU 73 Ca 0.00 -0.90 -0.05 0.00 -0.15 0.00 0.00 54.97 53.87 1jww s GLU 73 Cb 0.00 0.55 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 1jww s GLU 73 CO 0.00 -0.66 0.65 1.14 0.95 0.00 0.00 175.26 177.34 1jww s GLN 74 N -3.89 3.61 0.44 -4.83 -2.07 -1.26 -4.60 119.66 107.06 1jww s GLN 74 Ca 0.10 0.08 0.18 0.00 -1.82 0.00 0.00 55.36 53.90 1jww s GLN 74 Cb -0.03 -2.54 1.11 0.00 -1.09 0.00 0.00 33.01 30.47 1jww s GLN 74 CO 0.00 0.05 1.92 0.22 -1.32 0.00 0.00 175.29 176.17 1jww h ASP 75 N 1.08 0.33 -3.39 12.60 3.58 -2.02 -3.48 116.42 125.12 1jww h ASP 75 Ca -0.48 0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.07 1jww h ASP 75 Cb 1.20 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.18 1jww h ASP 75 CO 0.64 0.17 -0.10 -0.24 -2.88 0.00 0.00 179.24 176.82 1jww n SER 76 N -4.46 -2.62 -3.40 2.28 2.88 -1.26 -4.99 113.62 102.04 1jww n SER 76 Ca 0.14 0.30 -0.20 0.00 -1.33 0.00 0.00 58.87 57.79 1jww n SER 76 Cb 0.57 -0.85 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 1jww n SER 76 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1jww n ILE 77 N -1.50 0.00 -1.78 2.46 -5.35 -1.26 -5.18 119.36 106.75 1jww n ILE 77 Ca 0.00 -1.68 -0.29 0.00 -0.27 0.00 0.00 62.75 60.50 1jww n ILE 77 Cb 0.13 0.52 0.15 0.00 -1.74 0.00 0.00 39.64 38.69 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 -3.16 1.04 0.00 6.28 0.41 -1.26 -5.08 118.70 116.93 1jww s GLU 78 Ca 0.10 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 1jww s GLU 78 Cb 0.00 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.49 1jww s GLU 78 CO 0.07 -2.20 0.00 0.41 -0.49 0.00 0.00 175.26 173.05 1jww n GLY 79 N -3.11 -0.45 0.00 -1.39 0.00 -1.26 -5.33 105.19 93.66 1jww n GLY 79 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19