#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 1.21 0.10 2.52 -4.23 -1.26 -4.08 115.64 109.90 1jww s THR 2 Ca 0.00 -0.43 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 1jww s THR 2 Cb 0.00 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1jww s THR 2 CO 0.00 0.39 -0.13 -1.61 -0.54 0.00 0.00 174.62 172.73 1jww s GLU 3 N 1.39 2.01 -1.12 3.99 8.01 0.47 -4.73 118.70 128.72 1jww s GLU 3 Ca 0.00 -1.07 -0.08 0.00 0.01 0.00 0.00 54.97 53.83 1jww s GLU 3 Cb -0.13 -2.23 0.28 0.00 -4.31 0.00 0.00 34.13 27.73 1jww s GLU 3 CO -0.06 0.50 1.26 1.63 0.01 0.00 0.00 175.26 178.60 1jww n LYS 4 N 0.81 3.78 -2.43 1.61 5.02 -1.26 -1.48 118.16 124.21 1jww n LYS 4 Ca -0.14 -4.42 -0.32 0.00 -2.02 0.00 0.00 58.31 51.41 1jww n LYS 4 Cb 0.52 -2.59 -0.04 0.00 -0.02 0.00 0.00 35.03 32.91 1jww n LYS 4 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jww s ALA 5 N -1.43 3.02 0.09 7.82 0.00 0.70 -1.50 121.76 130.45 1jww s ALA 5 Ca 0.32 0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.60 1jww s ALA 5 Cb -0.05 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 1jww s ALA 5 CO -0.02 -0.24 -0.15 -1.21 0.00 0.00 0.00 175.76 174.14 1jww s GLU 6 N -3.89 0.93 -0.02 0.00 2.02 -1.26 -0.58 118.70 115.89 1jww s GLU 6 Ca 0.60 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1jww s GLU 6 Cb -0.11 -0.93 0.02 0.00 0.10 0.00 0.00 34.13 33.22 1jww s GLU 6 CO 0.28 0.20 0.04 -0.06 0.02 0.00 0.00 175.26 175.75 1jww s PHE 7 N -1.54 -0.02 0.01 1.61 0.40 0.04 -0.41 117.98 118.07 1jww s PHE 7 Ca 0.03 0.16 -0.22 0.00 -0.60 0.00 0.00 56.93 56.29 1jww s PHE 7 Cb -0.08 -0.13 -0.05 0.00 0.51 0.00 0.00 43.02 43.27 1jww s PHE 7 CO 0.03 -0.07 0.65 -0.51 0.70 0.00 0.00 175.22 176.02 1jww s ASP 8 N 0.69 7.05 -0.10 1.36 1.01 0.12 -1.44 116.67 125.36 1jww s ASP 8 Ca -0.06 1.25 -0.03 0.00 0.71 0.00 0.00 52.55 54.43 1jww s ASP 8 Cb -0.08 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1jww s ASP 8 CO -0.02 0.07 0.02 -0.63 0.21 0.00 0.00 175.17 174.81 1jww s ILE 9 N -0.12 4.46 -0.28 0.77 -1.09 -1.24 -1.92 121.20 121.79 1jww s ILE 9 Ca 0.34 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.58 1jww s ILE 9 Cb -0.19 -2.90 0.08 0.00 -1.58 0.00 0.00 42.46 37.87 1jww s ILE 9 CO 0.19 0.59 0.01 -1.61 -1.23 0.00 0.00 174.94 172.89 1jww s GLU 10 N -0.74 1.32 0.00 2.79 2.02 -0.20 -4.98 118.70 118.90 1jww s GLU 10 Ca 0.12 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 53.91 1jww s GLU 10 Cb -0.12 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1jww s GLU 10 CO 0.02 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 174.94 1jww n GLY 11 N 4.63 1.69 3.70 -1.39 0.00 -1.26 -1.46 105.19 111.11 1jww n GLY 11 Ca -0.06 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 4.22 -0.44 1.61 0.23 -1.26 -4.94 119.30 118.72 1jww s MET 12 Ca 0.00 2.28 0.07 0.00 -1.03 0.00 0.00 55.69 57.01 1jww s MET 12 Cb 0.00 -3.44 0.29 0.00 -1.53 0.00 0.00 34.83 30.14 1jww s MET 12 CO 0.00 -0.66 0.86 -2.37 -2.03 0.00 0.00 175.02 170.82 1jww n THR 13 N 4.44 -0.17 0.00 3.16 5.66 -1.26 -4.94 114.28 121.18 1jww n THR 13 Ca 0.15 -2.53 0.00 0.00 -3.05 0.00 0.00 64.05 58.62 1jww n THR 13 Cb 0.40 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 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 -3.00 0.00 -0.13 0.00 0.00 -1.26 -4.44 120.51 111.68 1jww n ALA 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1jww n ALA 15 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.57 0.02 0.00 0.00 -1.99 0.33 119.26 118.19 1jww h ALA 16 Ca 0.00 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jww h ALA 16 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1jww h ALA 16 CO 0.00 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.88 1jww h ALA 18 N 0.66 1.26 -0.52 0.00 0.00 -1.88 -1.57 119.26 117.20 1jww h ALA 18 Ca -0.00 0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1jww h ALA 18 Cb 0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1jww h ALA 18 CO 0.00 0.14 0.37 -0.91 0.00 0.00 0.00 179.25 178.85 1jww h ASN 19 N 0.85 0.10 0.50 0.00 -0.26 -0.06 0.54 115.58 117.25 1jww h ASN 19 Ca 0.42 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 56.06 1jww h ASN 19 Cb 0.38 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1jww h ASN 19 CO -0.25 0.06 -0.50 -0.09 -1.06 0.00 0.00 177.43 175.59 1jww h ARG 20 N 0.11 0.00 0.15 0.81 2.43 -1.11 -2.80 114.38 113.97 1jww h ARG 20 Ca 0.25 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1jww h ARG 20 Cb 0.83 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1jww h ARG 20 CO -0.03 0.50 -0.26 0.82 -1.51 0.00 0.00 179.97 179.49 1jww h ILE 21 N 0.00 0.43 -0.82 1.20 1.08 -0.93 -0.69 117.51 117.78 1jww h ILE 21 Ca -0.00 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.63 1jww h ILE 21 Cb 0.89 0.43 -0.15 0.00 -3.07 0.00 0.00 36.82 34.91 1jww h ILE 21 CO 0.07 0.00 -0.18 -0.33 -0.69 0.00 0.00 178.15 177.01 1jww h GLU 22 N -0.49 0.01 0.17 2.37 5.08 -1.44 0.45 114.58 120.72 1jww h GLU 22 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1jww h GLU 22 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jww h GLU 22 CO -0.13 0.00 -0.08 0.87 -1.00 0.00 0.00 179.01 178.67 1jww h LYS 23 N 0.01 -0.22 0.00 2.33 6.56 -1.50 0.33 116.57 124.08 1jww h LYS 23 Ca 0.40 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.99 1jww h LYS 23 Cb 0.62 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1jww h LYS 23 CO -0.83 0.06 -0.06 -0.09 -2.06 0.00 0.00 179.45 176.47 1jww h ARG 24 N -0.49 0.00 0.15 3.15 1.12 0.65 -0.83 114.38 118.14 1jww h ARG 24 Ca -0.02 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.52 1jww h ARG 24 Cb 0.38 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1jww h ARG 24 CO 0.04 0.06 -1.70 -0.07 -3.11 0.00 0.00 179.97 175.18 1jww h LEU 25 N 0.00 0.50 -2.06 3.80 3.38 -0.18 -3.35 115.31 117.40 1jww h LEU 25 Ca -0.00 -0.91 0.06 0.00 0.09 0.00 0.00 57.88 57.12 1jww h LEU 25 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1jww h LEU 25 CO 0.01 1.75 0.16 -1.13 0.09 0.00 0.00 178.44 179.32 1jww h ASN 26 N -0.04 0.00 -0.87 -0.43 -1.24 0.30 0.12 115.58 113.42 1jww h ASN 26 Ca -0.35 0.00 0.16 0.00 0.71 0.00 0.00 56.30 56.82 1jww h ASN 26 Cb 1.97 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.96 1jww h ASN 26 CO 0.12 0.00 0.57 0.11 -1.29 0.00 0.00 177.43 176.93 1jww h LYS 27 N 0.00 0.54 -6.50 6.67 1.79 -1.30 -3.42 116.57 114.35 1jww h LYS 27 Ca 0.10 -0.03 -0.53 0.00 -2.18 0.00 0.00 60.65 58.01 1jww h LYS 27 Cb 0.42 -0.12 0.04 0.00 -1.58 0.00 0.00 32.23 30.98 1jww h LYS 27 CO -0.00 0.36 1.10 0.42 -1.08 0.00 0.00 179.45 180.24 1jww s ILE 28 N -5.56 2.61 0.09 1.86 -1.09 0.42 -4.92 121.20 114.61 1jww s ILE 28 Ca -0.09 0.11 -0.27 0.00 -2.23 0.00 0.00 60.65 58.17 1jww s ILE 28 Cb 0.22 -3.07 -0.15 0.00 -1.58 0.00 0.00 42.46 37.88 1jww s ILE 28 CO 0.78 -0.00 1.69 -0.33 -1.23 0.00 0.00 174.94 175.85 1jww h GLU 29 N 8.59 -0.37 -1.95 2.79 5.08 -1.82 -3.16 114.58 123.74 1jww h GLU 29 Ca -0.46 0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 57.82 1jww h GLU 29 Cb 1.22 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 1jww h GLU 29 CO 0.95 -0.25 -0.05 0.41 -1.00 0.00 0.00 179.01 179.07 1jww n GLY 30 N -1.27 2.88 3.73 -3.84 0.00 -1.26 -4.84 105.19 100.59 1jww n GLY 30 Ca -0.09 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.06 4.18 0.01 1.61 0.11 -1.20 -0.17 120.40 124.88 1jww s VAL 31 Ca 0.24 -1.12 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1jww s VAL 31 Cb 0.13 -3.08 -0.01 0.00 -1.53 0.00 0.00 36.38 31.88 1jww s VAL 31 CO -0.01 -0.03 -0.06 0.00 -3.33 0.00 0.00 175.10 171.67 1jww n ALA 32 N 0.01 2.68 -2.58 1.54 0.00 0.55 -4.93 120.51 117.78 1jww n ALA 32 Ca -0.09 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.10 1jww n ALA 32 Cb 0.54 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.24 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 -5.70 0.10 -0.43 0.00 0.01 -1.01 -5.01 114.94 102.90 1jww s ASN 33 Ca -0.05 -0.64 0.08 0.00 -0.71 0.00 0.00 52.86 51.53 1jww s ASN 33 Cb 0.02 0.35 0.32 0.00 0.41 0.00 0.00 41.25 42.34 1jww s ASN 33 CO 0.07 -0.74 0.94 0.00 -1.51 0.00 0.00 177.10 175.87 1jww n ALA 34 N -0.07 0.24 -2.44 0.60 0.00 -1.26 -0.56 120.51 117.02 1jww n ALA 34 Ca -0.15 -2.19 -0.42 0.00 0.00 0.00 0.00 53.44 50.68 1jww n ALA 34 Cb 0.62 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 0.49 3.07 -1.70 0.00 -0.04 -1.24 -4.67 135.00 130.91 1jww n PRO 35 Ca 0.13 -3.15 -0.37 0.00 -0.04 0.00 0.00 63.50 60.07 1jww n PRO 35 Cb 0.67 -3.48 0.06 0.00 -0.04 0.00 0.00 33.50 30.71 1jww n PRO 35 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jww n VAL 36 N 6.31 4.59 -3.08 0.52 0.24 -1.26 -4.53 118.33 121.13 1jww n VAL 36 Ca 0.49 -0.50 -0.45 0.00 -2.04 0.00 0.00 64.34 61.84 1jww n VAL 36 Cb 0.45 -1.42 -0.03 0.00 -1.47 0.00 0.00 33.84 31.37 1jww n VAL 36 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1jww s ASN 37 N -1.31 6.45 -0.43 -1.34 0.01 0.11 -4.93 114.94 113.49 1jww s ASN 37 Ca 0.80 -1.86 -0.05 0.00 -0.71 0.00 0.00 52.86 51.04 1jww s ASN 37 Cb -0.39 -2.32 -0.14 0.00 0.41 0.00 0.00 41.25 38.80 1jww s ASN 37 CO 0.42 -1.01 2.57 2.22 -1.51 0.00 0.00 177.10 179.79 1jww n PHE 38 N 6.02 0.64 0.00 2.20 1.16 -1.26 -2.68 117.46 123.54 1jww n PHE 38 Ca 0.07 -1.53 0.00 0.00 -1.87 0.00 0.00 57.45 54.12 1jww n PHE 38 Cb 0.46 -1.50 0.00 0.00 -1.61 0.00 0.00 39.48 36.83 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 3.17 0.00 0.24 1.98 0.00 -1.26 -4.75 120.51 119.89 1jww n ALA 39 Ca 0.40 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.96 1jww n ALA 39 Cb 0.46 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.01 0.00 3.38 -1.92 -3.48 115.31 111.28 1jww h LEU 40 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 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 -3.05 -4.01 -3.83 1.13 1.02 -1.10 -5.05 120.64 105.75 1jww n GLU 41 Ca 0.04 0.66 -0.19 0.00 -0.02 0.00 0.00 57.16 57.66 1jww n GLU 41 Cb 0.52 -5.02 -0.17 0.00 -0.02 0.00 0.00 31.44 26.75 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 0.13 0.20 2.62 -4.23 -1.25 -3.65 115.64 106.17 1jww s THR 42 Ca 0.12 0.18 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 1jww s THR 42 Cb -0.02 -0.28 -0.08 0.00 1.34 0.00 0.00 72.50 73.47 1jww s THR 42 CO 0.57 0.17 0.64 -0.69 -0.54 0.00 0.00 174.62 174.77 1jww s VAL 43 N 1.47 4.72 -0.05 2.29 1.01 -0.52 -0.71 120.40 128.61 1jww s VAL 43 Ca -0.03 1.01 0.03 0.00 0.00 0.00 0.00 61.98 62.99 1jww s VAL 43 Cb -0.13 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1jww s VAL 43 CO -0.03 0.17 -0.14 -0.89 0.00 0.00 0.00 175.10 174.21 1jww s THR 44 N -1.56 1.19 -0.04 3.92 2.01 -1.26 -0.78 115.64 119.13 1jww s THR 44 Ca 0.42 -0.56 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1jww s THR 44 Cb -0.15 -1.05 0.02 0.00 0.01 0.00 0.00 72.50 71.33 1jww s THR 44 CO 0.20 0.36 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 1jww s VAL 45 N 0.29 0.31 -0.59 3.82 1.01 0.26 -3.63 120.40 121.87 1jww s VAL 45 Ca -0.08 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 1jww s VAL 45 Cb -0.12 -0.39 0.09 0.00 0.00 0.00 0.00 36.38 35.96 1jww s VAL 45 CO 0.02 0.18 0.76 -1.61 0.00 0.00 0.00 175.10 174.45 1jww s GLU 46 N 1.02 3.08 0.07 2.72 8.01 0.28 -0.22 118.70 133.66 1jww s GLU 46 Ca -0.10 -1.12 0.00 0.00 0.01 0.00 0.00 54.97 53.77 1jww s GLU 46 Cb -0.14 -4.23 -0.04 0.00 -4.31 0.00 0.00 34.13 25.42 1jww s GLU 46 CO -0.01 -1.55 -0.05 1.52 0.01 0.00 0.00 175.26 175.18 1jww s TYR 47 N 3.01 0.66 -0.17 1.61 -0.85 -0.55 -0.33 117.35 120.74 1jww s TYR 47 Ca 0.15 -0.96 -0.15 0.00 -0.52 0.00 0.00 57.07 55.59 1jww s TYR 47 Cb -0.22 -0.43 -0.04 0.00 0.38 0.00 0.00 41.96 41.65 1jww s TYR 47 CO 0.08 -0.27 0.36 0.54 -1.52 0.00 0.00 175.55 174.74 1jww s ASN 48 N -2.85 6.47 -0.85 -0.18 2.20 0.76 -0.39 114.94 120.10 1jww s ASN 48 Ca 0.07 0.56 -0.07 0.00 -0.94 0.00 0.00 52.86 52.48 1jww s ASN 48 Cb 0.05 -2.22 -0.12 0.00 -2.00 0.00 0.00 41.25 36.96 1jww s ASN 48 CO -0.07 0.02 2.74 -0.81 -2.94 0.00 0.00 177.10 176.04 1jww n PRO 49 N 3.89 2.49 0.04 3.55 -0.04 -1.26 -2.20 135.00 141.47 1jww n PRO 49 Ca -0.10 -1.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 1jww n PRO 49 Cb 0.52 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 1jww n PRO 49 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1jww n LYS 50 N 3.41 0.00 0.00 0.54 4.81 -1.26 -4.91 118.16 120.75 1jww n LYS 50 Ca 0.53 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 58.08 1jww n LYS 50 Cb 0.38 -0.07 -0.12 0.00 0.02 0.00 0.00 35.03 35.24 1jww n LYS 50 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1jww n GLU 51 N -2.87 0.32 -4.78 1.64 4.71 -1.23 -4.94 120.64 113.50 1jww n GLU 51 Ca 0.00 -0.08 -0.28 0.00 -0.01 0.00 0.00 57.16 56.79 1jww n GLU 51 Cb 0.00 -1.52 -0.14 0.00 -1.01 0.00 0.00 31.44 28.76 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jww s ALA 52 N -3.25 2.04 -0.04 0.62 0.00 -0.94 -4.02 121.76 116.17 1jww s ALA 52 Ca 0.01 -1.18 -0.14 0.00 0.00 0.00 0.00 51.96 50.64 1jww s ALA 52 Cb 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1jww s ALA 52 CO 0.88 0.47 0.31 -1.54 0.00 0.00 0.00 175.76 175.88 1jww s SER 53 N -1.24 -0.22 0.26 0.00 1.04 -1.26 -4.11 113.70 108.17 1jww s SER 53 Ca 0.10 0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.73 1jww s SER 53 Cb -0.09 0.39 0.53 0.00 0.10 0.00 0.00 66.02 66.95 1jww s SER 53 CO 0.02 -0.37 1.77 -0.37 0.98 0.00 0.00 173.24 175.26 1jww h VAL 54 N 4.04 0.74 -0.69 5.02 -1.51 -1.99 -1.31 116.25 120.55 1jww h VAL 54 Ca -0.29 -0.22 0.12 0.00 -1.23 0.00 0.00 66.70 65.08 1jww h VAL 54 Cb 1.18 0.04 -0.08 0.00 -2.13 0.00 0.00 31.29 30.30 1jww h VAL 54 CO 0.38 0.12 0.27 0.28 -1.23 0.00 0.00 177.57 177.39 1jww h SER 55 N 0.64 0.27 0.01 4.19 0.02 -1.97 0.84 113.55 117.54 1jww h SER 55 Ca 0.46 0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.43 1jww h SER 55 Cb 0.64 0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1jww h SER 55 CO -0.35 0.13 -0.29 0.44 -1.14 0.00 0.00 176.83 175.62 1jww h ASP 56 N 0.44 0.25 -0.48 3.07 5.19 -1.68 0.17 116.42 123.39 1jww h ASP 56 Ca 0.36 -0.79 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 1jww h ASP 56 Cb 0.50 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1jww h ASP 56 CO -0.35 1.01 0.04 0.17 -3.12 0.00 0.00 179.24 176.99 1jww h LEU 57 N -0.49 0.79 -0.61 1.55 8.10 -1.39 0.33 115.31 123.59 1jww h LEU 57 Ca -0.04 -0.28 0.11 0.00 0.11 0.00 0.00 57.88 57.78 1jww h LEU 57 Cb 1.06 -0.21 -0.12 0.00 -0.44 0.00 0.00 40.66 40.95 1jww h LEU 57 CO 0.06 0.88 -0.30 0.50 -4.11 0.00 0.00 178.44 175.47 1jww h LYS 58 N 0.67 -0.12 -0.69 0.17 3.64 -0.82 -1.14 116.57 118.27 1jww h LYS 58 Ca 0.14 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.66 1jww h LYS 58 Cb 0.45 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.20 1jww h LYS 58 CO 0.02 -0.08 0.20 1.49 -2.27 0.00 0.00 179.45 178.80 1jww h GLU 59 N -0.13 0.31 -0.12 1.90 4.22 0.49 0.25 114.58 121.50 1jww h GLU 59 Ca 0.26 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.71 1jww h GLU 59 Cb 0.54 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1jww h GLU 59 CO -0.69 0.21 -0.12 0.00 -2.18 0.00 0.00 179.01 176.23 1jww h ALA 60 N 1.54 -0.03 -0.43 2.92 0.00 0.18 0.13 119.26 123.57 1jww h ALA 60 Ca 0.38 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 1jww h ALA 60 Cb 0.59 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jww h ALA 60 CO -0.43 -0.57 0.07 0.28 0.00 0.00 0.00 179.25 178.60 1jww h VAL 61 N -0.14 1.24 0.18 0.00 2.07 -0.51 -2.12 116.25 116.97 1jww h VAL 61 Ca 0.08 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1jww h VAL 61 Cb 0.26 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1jww h VAL 61 CO -0.20 0.31 -0.24 -0.78 0.02 0.00 0.00 177.57 176.67 1jww h ASP 62 N 0.57 -0.67 -0.92 0.57 1.82 0.17 -1.51 116.42 116.45 1jww h ASP 62 Ca 0.13 0.07 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 1jww h ASP 62 Cb 0.37 0.24 -0.06 0.00 0.68 0.00 0.00 39.33 40.57 1jww h ASP 62 CO 0.01 -0.34 0.60 0.50 -1.61 0.00 0.00 179.24 178.40 1jww h LYS 63 N -0.48 1.07 -0.95 0.28 3.64 -0.81 0.41 116.57 119.74 1jww h LYS 63 Ca 0.01 -0.06 0.24 0.00 -1.27 0.00 0.00 60.65 59.56 1jww h LYS 63 Cb 0.47 -0.24 -0.07 0.00 -0.41 0.00 0.00 32.23 31.98 1jww h LYS 63 CO -0.10 0.71 0.64 1.25 -2.27 0.00 0.00 179.45 179.68 1jww h LEU 64 N 1.11 0.32 0.00 5.20 7.12 -0.57 -3.46 115.31 125.02 1jww h LEU 64 Ca 0.38 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.43 1jww h LEU 64 Cb 0.10 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.22 1jww h LEU 64 CO -0.13 0.11 0.00 0.61 -0.13 0.00 0.00 178.44 178.90 1jww n GLY 65 N -1.56 1.62 3.31 3.75 0.00 0.13 -5.10 105.19 107.35 1jww n GLY 65 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 1.32 0.15 1.61 -0.85 -1.22 -5.03 117.35 111.33 1jww s TYR 66 Ca 0.00 -1.43 0.10 0.00 -0.52 0.00 0.00 57.07 55.22 1jww s TYR 66 Cb 0.00 -0.49 -0.04 0.00 0.38 0.00 0.00 41.96 41.81 1jww s TYR 66 CO 0.00 -0.84 -0.22 0.21 -1.52 0.00 0.00 175.55 173.18 1jww s LYS 67 N -3.68 1.31 0.04 -3.49 2.20 -0.53 -3.36 119.74 112.23 1jww s LYS 67 Ca 0.37 -1.36 0.03 0.00 -0.36 0.00 0.00 55.97 54.64 1jww s LYS 67 Cb 0.03 -1.55 -0.02 0.00 -1.51 0.00 0.00 37.83 34.78 1jww s LYS 67 CO 0.19 0.34 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.26 1jww s LEU 68 N -2.38 2.23 0.00 5.43 2.96 -1.26 -1.04 118.68 124.62 1jww s LEU 68 Ca 0.14 -0.52 -0.15 0.00 -0.22 0.00 0.00 54.13 53.39 1jww s LEU 68 Cb -0.08 -0.26 0.02 0.00 0.50 0.00 0.00 46.19 46.37 1jww s LEU 68 CO 0.07 -0.14 0.32 -0.75 -1.32 0.00 0.00 176.35 174.52 1jww s LYS 69 N -1.45 0.72 0.78 1.98 2.47 -0.81 -4.97 119.74 118.46 1jww s LYS 69 Ca -0.07 -0.26 -0.14 0.00 -1.56 0.00 0.00 55.97 53.94 1jww s LYS 69 Cb -0.09 0.32 0.07 0.00 -1.46 0.00 0.00 37.83 36.66 1jww s LYS 69 CO 0.01 -0.21 1.22 -1.17 0.16 0.00 0.00 175.35 175.36 1jww s LEU 70 N -1.52 3.20 -0.00 5.43 2.96 -1.26 0.13 118.68 127.62 1jww s LEU 70 Ca -0.11 2.40 -0.01 0.00 -0.22 0.00 0.00 54.13 56.19 1jww s LEU 70 Cb -0.04 -4.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.05 1jww s LEU 70 CO 0.02 -2.57 -0.02 1.17 -1.32 0.00 0.00 176.35 173.64 1jww n LYS 71 N -3.10 0.03 0.00 1.98 4.81 0.45 -4.54 118.16 117.79 1jww n LYS 71 Ca 0.14 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1jww n LYS 71 Cb 0.50 -0.29 0.00 0.00 0.02 0.00 0.00 35.03 35.26 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 2.77 -0.24 1.09 3.14 0.00 -1.24 -5.04 105.19 105.67 1jww n GLY 72 Ca -0.01 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.17 1jww n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jww n GLU 73 N 0.00 -2.61 -2.99 1.61 1.02 -1.26 -4.89 120.64 111.52 1jww n GLU 73 Ca 0.00 2.11 -0.32 0.00 -0.02 0.00 0.00 57.16 58.93 1jww n GLU 73 Cb 0.00 -2.91 -0.06 0.00 -0.02 0.00 0.00 31.44 28.45 1jww n GLU 73 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1jww s GLN 74 N -4.23 4.06 0.15 3.49 -2.07 -0.56 -4.62 119.66 115.88 1jww s GLN 74 Ca 0.00 0.82 -0.06 0.00 -1.82 0.00 0.00 55.36 54.30 1jww s GLN 74 Cb 0.00 -2.33 -0.02 0.00 -1.09 0.00 0.00 33.01 29.57 1jww s GLN 74 CO 0.00 0.07 0.20 0.34 -1.32 0.00 0.00 175.29 174.58 1jww s ASP 75 N -2.32 0.14 -0.47 12.60 2.15 -1.26 -5.04 116.67 122.47 1jww s ASP 75 Ca 0.57 -0.98 0.06 0.00 0.43 0.00 0.00 52.55 52.63 1jww s ASP 75 Cb -0.10 0.38 0.19 0.00 -0.30 0.00 0.00 42.92 43.10 1jww s ASP 75 CO 0.17 -0.83 0.61 -0.24 -0.17 0.00 0.00 175.17 174.71 1jww n SER 76 N -0.16 -2.16 -4.00 -0.34 2.88 -1.26 -4.99 113.62 103.60 1jww n SER 76 Ca -0.07 -2.77 -0.43 0.00 -1.33 0.00 0.00 58.87 54.27 1jww n SER 76 Cb 0.63 0.84 0.02 0.00 -0.75 0.00 0.00 64.21 64.95 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 2.62 -3.20 -1.78 2.46 -5.35 -1.26 -4.92 119.36 107.94 1jww n ILE 77 Ca 0.21 -0.58 -0.42 0.00 -0.27 0.00 0.00 62.75 61.69 1jww n ILE 77 Cb 0.54 -2.63 -0.03 0.00 -1.74 0.00 0.00 39.64 35.78 1jww n ILE 77 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1jww s GLU 78 N -7.01 4.15 0.00 6.28 2.12 -1.26 -4.89 118.70 118.09 1jww s GLU 78 Ca 0.44 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.32 1jww s GLU 78 Cb -0.23 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.05 1jww s GLU 78 CO 0.95 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 175.36 1jww n GLY 79 N 3.93 -2.15 0.00 -1.50 0.00 -1.26 -5.23 105.19 98.98 1jww n GLY 79 Ca 0.15 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19