#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 0.00 0.01 1.55 -4.23 -1.26 -4.61 115.64 107.10 1jww s THR 2 Ca 0.00 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1jww s THR 2 Cb 0.00 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 1jww s THR 2 CO 0.00 0.00 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.29 1jww s GLU 3 N -4.02 0.64 0.14 3.99 2.12 0.96 -4.88 118.70 117.64 1jww s GLU 3 Ca 0.33 -0.46 -0.17 0.00 0.36 0.00 0.00 54.97 55.04 1jww s GLU 3 Cb 0.04 -0.58 -0.07 0.00 0.26 0.00 0.00 34.13 33.78 1jww s GLU 3 CO 0.12 0.15 0.58 0.21 -0.54 0.00 0.00 175.26 175.78 1jww s LYS 4 N -0.66 4.09 -0.02 4.30 2.47 -1.26 -0.75 119.74 127.91 1jww s LYS 4 Ca -0.00 0.63 -0.11 0.00 -1.56 0.00 0.00 55.97 54.92 1jww s LYS 4 Cb -0.05 -3.02 0.02 0.00 -1.46 0.00 0.00 37.83 33.31 1jww s LYS 4 CO 0.00 0.52 0.24 0.00 0.16 0.00 0.00 175.35 176.27 1jww s ALA 5 N -1.36 -0.60 0.11 3.13 0.00 0.44 -4.71 121.76 118.77 1jww s ALA 5 Ca 0.36 0.24 0.07 0.00 0.00 0.00 0.00 51.96 52.62 1jww s ALA 5 Cb -0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1jww s ALA 5 CO 0.19 -0.22 -0.16 -1.21 0.00 0.00 0.00 175.76 174.36 1jww s GLU 6 N -1.08 1.03 -0.06 0.00 2.02 -1.26 -0.54 118.70 118.80 1jww s GLU 6 Ca -0.11 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 53.68 1jww s GLU 6 Cb -0.05 -1.06 0.03 0.00 0.10 0.00 0.00 34.13 33.15 1jww s GLU 6 CO 0.03 0.22 0.14 -0.06 0.02 0.00 0.00 175.26 175.61 1jww s PHE 7 N -1.67 -0.15 -0.03 1.61 0.40 -0.14 -0.45 117.98 117.55 1jww s PHE 7 Ca 0.06 0.45 -0.15 0.00 -0.60 0.00 0.00 56.93 56.70 1jww s PHE 7 Cb -0.08 -0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.33 1jww s PHE 7 CO 0.04 -0.15 0.40 -0.51 0.70 0.00 0.00 175.22 175.69 1jww s ASP 8 N 1.02 6.76 -0.07 1.36 1.11 0.72 -1.44 116.67 126.13 1jww s ASP 8 Ca -0.08 0.90 -0.02 0.00 0.18 0.00 0.00 52.55 53.53 1jww s ASP 8 Cb -0.10 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.61 1jww s ASP 8 CO -0.05 0.28 0.04 -0.63 1.18 0.00 0.00 175.17 175.99 1jww s ILE 9 N -0.82 4.57 -0.94 0.77 -1.09 -1.24 -2.30 121.20 120.15 1jww s ILE 9 Ca 0.23 -0.22 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1jww s ILE 9 Cb -0.16 -2.97 0.23 0.00 -1.58 0.00 0.00 42.46 37.98 1jww s ILE 9 CO 0.12 0.55 0.86 -1.61 -1.23 0.00 0.00 174.94 173.63 1jww s GLU 10 N -1.10 3.53 0.00 2.79 2.02 -0.65 -4.93 118.70 120.36 1jww s GLU 10 Ca 0.16 -3.20 0.00 0.00 0.02 0.00 0.00 54.97 51.95 1jww s GLU 10 Cb -0.12 -4.14 0.00 0.00 0.10 0.00 0.00 34.13 29.98 1jww s GLU 10 CO 0.05 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.49 1jww n GLY 11 N 2.55 -0.35 3.21 -1.39 0.00 -1.26 -3.56 105.19 104.38 1jww n GLY 11 Ca 0.21 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 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 -5.00 0.86 0.13 1.61 0.23 -1.26 -4.66 119.30 111.21 1jww s MET 12 Ca 0.00 -1.05 -0.12 0.00 -1.03 0.00 0.00 55.69 53.49 1jww s MET 12 Cb 0.00 0.32 -0.06 0.00 -1.53 0.00 0.00 34.83 33.56 1jww s MET 12 CO 0.00 -0.27 1.45 1.15 -2.03 0.00 0.00 175.02 175.32 1jww h THR 13 N 2.78 1.28 0.00 3.16 2.02 -1.95 -3.50 112.91 116.69 1jww h THR 13 Ca -0.34 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1jww h THR 13 Cb 1.20 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1jww h THR 13 CO 0.57 0.52 0.00 0.00 0.37 0.00 0.00 175.52 176.98 1jww n ALA 15 N 0.81 0.00 0.25 0.00 0.00 -1.26 -3.22 120.51 117.09 1jww n ALA 15 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1jww n ALA 15 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 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 -0.53 1.91 0.03 0.00 0.00 -1.97 0.21 119.26 118.91 1jww h ALA 16 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jww h ALA 16 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jww h ALA 16 CO 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 179.25 179.16 1jww h ALA 18 N -1.68 1.98 -0.64 0.00 0.00 -1.57 0.34 119.26 117.69 1jww h ALA 18 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1jww h ALA 18 Cb 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jww h ALA 18 CO -0.00 -0.39 0.40 -0.91 0.00 0.00 0.00 179.25 178.34 1jww h ASN 19 N 0.53 0.66 -0.03 0.00 -0.26 -0.88 0.24 115.58 115.83 1jww h ASN 19 Ca 0.60 -0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 56.19 1jww h ASN 19 Cb 1.27 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 38.40 1jww h ASN 19 CO -0.36 0.46 -0.54 -0.09 -1.06 0.00 0.00 177.43 175.84 1jww h ARG 20 N 0.79 0.42 -0.43 0.81 9.65 0.29 -3.16 114.38 122.74 1jww h ARG 20 Ca 0.25 -0.41 0.05 0.00 -1.10 0.00 0.00 59.98 58.77 1jww h ARG 20 Cb 0.01 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 28.62 1jww h ARG 20 CO -0.10 1.07 -0.45 0.82 2.80 0.00 0.00 179.97 184.11 1jww h ILE 21 N -0.08 0.00 -0.77 1.20 1.08 -0.37 -0.74 117.51 117.84 1jww h ILE 21 Ca -0.06 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.55 1jww h ILE 21 Cb 1.23 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1jww h ILE 21 CO 0.11 0.00 0.51 -0.33 -0.69 0.00 0.00 178.15 177.75 1jww h GLU 22 N -0.24 0.47 -0.33 2.37 5.08 -1.02 0.43 114.58 121.34 1jww h GLU 22 Ca 0.07 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1jww h GLU 22 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1jww h GLU 22 CO -0.54 0.31 -0.13 0.87 -1.00 0.00 0.00 179.01 178.52 1jww h LYS 23 N 0.48 0.67 -0.51 2.33 6.56 -1.26 0.45 116.57 125.29 1jww h LYS 23 Ca 0.37 -0.28 -0.12 0.00 -1.06 0.00 0.00 60.65 59.56 1jww h LYS 23 Cb 0.77 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.39 1jww h LYS 23 CO -0.13 0.87 -0.15 0.00 -2.06 0.00 0.00 179.45 177.98 1jww h ARG 24 N 0.44 1.00 0.02 3.15 -0.00 0.61 -2.50 114.38 117.09 1jww h ARG 24 Ca 0.08 -0.39 -0.22 0.00 -0.50 0.00 0.00 59.98 58.94 1jww h ARG 24 Cb 0.65 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.56 1jww h ARG 24 CO 0.04 1.07 -0.96 -0.07 0.00 0.00 0.00 179.97 180.05 1jww h LEU 25 N 0.88 0.42 0.00 3.04 3.38 -0.23 -2.57 115.31 120.23 1jww h LEU 25 Ca 0.13 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jww h LEU 25 Cb 0.72 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1jww h LEU 25 CO 0.06 1.17 0.00 0.59 0.09 0.00 0.00 178.44 180.35 1jww n ASN 26 N -3.68 0.00 -0.24 -0.43 3.02 0.16 -0.85 115.26 113.24 1jww n ASN 26 Ca -0.06 0.24 -0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1jww n ASN 26 Cb 0.85 -0.38 0.21 0.00 -0.61 0.00 0.00 39.78 39.86 1jww n ASN 26 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1jww h LYS 27 N 0.00 1.04 -6.47 3.52 2.10 -1.01 -3.43 116.57 112.32 1jww h LYS 27 Ca 0.00 -0.08 -0.53 0.00 -2.00 0.00 0.00 60.65 58.04 1jww h LYS 27 Cb 0.21 -0.23 0.03 0.00 -0.90 0.00 0.00 32.23 31.35 1jww h LYS 27 CO 0.00 0.71 1.16 0.42 -2.00 0.00 0.00 179.45 179.74 1jww s ILE 28 N -5.82 2.66 0.01 0.07 -1.09 -0.03 -4.91 121.20 112.09 1jww s ILE 28 Ca -0.11 0.02 -0.24 0.00 -2.23 0.00 0.00 60.65 58.09 1jww s ILE 28 Cb 0.17 -3.01 -0.17 0.00 -1.58 0.00 0.00 42.46 37.87 1jww s ILE 28 CO 0.79 -0.00 1.36 -0.33 -1.23 0.00 0.00 174.94 175.53 1jww h GLU 29 N 9.25 0.12 -1.89 2.79 5.08 -1.87 -3.23 114.58 124.82 1jww h GLU 29 Ca -0.47 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 1jww h GLU 29 Cb 1.22 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 1jww h GLU 29 CO 0.95 0.50 0.08 0.41 -1.00 0.00 0.00 179.01 179.94 1jww n GLY 30 N 0.02 2.97 3.79 -3.84 0.00 -1.26 -4.85 105.19 102.01 1jww n GLY 30 Ca -0.07 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.52 4.71 -0.03 1.61 0.11 -1.22 -0.41 120.40 124.64 1jww s VAL 31 Ca 0.14 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1jww s VAL 31 Cb 0.09 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 1jww s VAL 31 CO -0.01 0.28 -0.07 0.00 -3.33 0.00 0.00 175.10 171.97 1jww n ALA 32 N 0.95 2.62 -2.89 1.54 0.00 -0.19 -4.96 120.51 117.58 1jww n ALA 32 Ca -0.11 -0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1jww n ALA 32 Cb 0.52 0.37 -0.13 0.00 0.00 0.00 0.00 19.45 20.21 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 -5.62 0.15 -0.48 0.00 0.01 -0.15 -5.02 114.94 103.82 1jww s ASN 33 Ca -0.07 -0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.00 1jww s ASN 33 Cb 0.02 0.02 0.32 0.00 0.41 0.00 0.00 41.25 42.03 1jww s ASN 33 CO 0.10 -0.08 0.77 0.00 -1.51 0.00 0.00 177.10 176.38 1jww n ALA 34 N 2.62 3.22 -1.34 0.60 0.00 -1.26 -0.03 120.51 124.31 1jww n ALA 34 Ca -0.16 -4.01 -0.39 0.00 0.00 0.00 0.00 53.44 48.89 1jww n ALA 34 Cb 0.58 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 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 0.34 2.57 -2.19 0.00 -0.04 -1.15 -4.87 135.00 129.66 1jww n PRO 35 Ca 0.27 -2.15 -0.38 0.00 -0.04 0.00 0.00 63.50 61.20 1jww n PRO 35 Cb 0.52 -2.96 -0.01 0.00 -0.04 0.00 0.00 33.50 31.01 1jww n PRO 35 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1jww s VAL 36 N 3.47 2.95 0.14 0.52 1.01 -1.24 -4.33 120.40 122.91 1jww s VAL 36 Ca 0.53 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 1jww s VAL 36 Cb 0.14 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 1jww s VAL 36 CO -0.02 0.03 0.52 0.20 0.00 0.00 0.00 175.10 175.83 1jww s ASN 37 N -1.16 6.79 -0.58 3.32 0.01 -0.55 -4.93 114.94 117.83 1jww s ASN 37 Ca 0.61 1.02 0.06 0.00 -0.71 0.00 0.00 52.86 53.85 1jww s ASN 37 Cb -0.32 -2.27 0.29 0.00 0.41 0.00 0.00 41.25 39.37 1jww s ASN 37 CO 0.39 0.11 0.81 2.22 -1.51 0.00 0.00 177.10 179.12 1jww n PHE 38 N 0.80 3.29 0.00 2.20 -1.74 -1.26 -4.51 117.46 116.24 1jww n PHE 38 Ca -0.06 -4.03 0.00 0.00 -0.56 0.00 0.00 57.45 52.80 1jww n PHE 38 Cb 0.52 -0.51 0.00 0.00 1.52 0.00 0.00 39.48 41.01 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 0.42 0.00 0.37 1.98 0.00 -1.26 -4.19 120.51 117.84 1jww n ALA 39 Ca 0.29 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.87 1jww n ALA 39 Cb 0.43 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.63 0.00 3.38 -2.01 -3.47 115.31 111.58 1jww h LEU 40 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1jww h LEU 40 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 1jww h LEU 40 CO 0.00 0.00 -0.49 -0.62 0.09 0.00 0.00 178.44 177.42 1jww n GLU 41 N -2.72 -4.43 -3.71 1.13 1.02 -1.26 -5.04 120.64 105.63 1jww n GLU 41 Ca 0.03 0.55 -0.15 0.00 -0.02 0.00 0.00 57.16 57.56 1jww n GLU 41 Cb 0.39 -4.68 -0.15 0.00 -0.02 0.00 0.00 31.44 26.98 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 -3.23 -0.15 0.01 2.62 -4.23 -1.26 -3.67 115.64 105.73 1jww s THR 42 Ca 0.06 0.28 -0.12 0.00 -1.18 0.00 0.00 61.69 60.73 1jww s THR 42 Cb -0.03 -0.25 -0.06 0.00 1.34 0.00 0.00 72.50 73.50 1jww s THR 42 CO 0.47 0.12 0.38 -0.69 -0.54 0.00 0.00 174.62 174.36 1jww s VAL 43 N 1.75 5.09 -0.08 2.29 1.01 -0.52 -1.49 120.40 128.46 1jww s VAL 43 Ca -0.03 0.66 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1jww s VAL 43 Cb -0.12 -3.66 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1jww s VAL 43 CO -0.06 0.49 -0.09 -0.89 0.00 0.00 0.00 175.10 174.56 1jww s THR 44 N -1.17 0.99 0.11 3.92 2.01 -1.26 -0.97 115.64 119.27 1jww s THR 44 Ca 0.26 -0.34 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1jww s THR 44 Cb -0.15 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.36 1jww s THR 44 CO 0.14 0.34 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 1jww s VAL 45 N 1.11 1.41 -0.35 3.82 1.01 0.29 -2.92 120.40 124.78 1jww s VAL 45 Ca -0.07 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1jww s VAL 45 Cb -0.14 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.87 1jww s VAL 45 CO -0.01 -0.30 0.14 -0.70 0.00 0.00 0.00 175.10 174.22 1jww s GLU 46 N -2.36 0.94 0.16 2.72 -6.30 0.96 -0.42 118.70 114.40 1jww s GLU 46 Ca 0.07 -1.41 -0.10 0.00 -2.50 0.00 0.00 54.97 51.02 1jww s GLU 46 Cb -0.07 -2.18 -0.00 0.00 0.00 0.00 0.00 34.13 31.88 1jww s GLU 46 CO 0.04 -1.04 0.31 1.52 0.02 0.00 0.00 175.26 176.11 1jww s TYR 47 N 1.19 0.29 -0.13 5.30 1.13 0.07 -0.98 117.35 124.21 1jww s TYR 47 Ca 0.12 -0.66 -0.13 0.00 -1.41 0.00 0.00 57.07 54.99 1jww s TYR 47 Cb -0.20 0.01 -0.05 0.00 -1.10 0.00 0.00 41.96 40.63 1jww s TYR 47 CO -0.16 -0.73 0.30 0.54 -2.51 0.00 0.00 175.55 172.98 1jww s ASN 48 N -2.94 6.49 -0.90 -0.18 2.20 0.45 -0.03 114.94 120.03 1jww s ASN 48 Ca 0.15 0.58 -0.08 0.00 -0.94 0.00 0.00 52.86 52.56 1jww s ASN 48 Cb 0.03 -2.18 -0.17 0.00 -2.00 0.00 0.00 41.25 36.93 1jww s ASN 48 CO -0.01 0.16 3.22 -0.81 -2.94 0.00 0.00 177.10 176.72 1jww n PRO 49 N 3.14 2.91 0.00 3.55 -0.04 -1.26 -3.89 135.00 139.41 1jww n PRO 49 Ca -0.13 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1jww n PRO 49 Cb 0.52 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.12 0.00 -0.09 0.54 -0.00 -1.26 -4.86 118.16 115.61 1jww n LYS 50 Ca 0.62 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.81 1jww n LYS 50 Cb 0.52 -0.74 -0.15 0.00 -0.00 0.00 0.00 35.03 34.67 1jww n LYS 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jww n GLU 51 N -2.23 0.68 -3.13 -1.58 2.13 -1.25 -5.05 120.64 110.21 1jww n GLU 51 Ca 0.00 0.08 -0.10 0.00 0.66 0.00 0.00 57.16 57.80 1jww n GLU 51 Cb 0.31 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.41 1jww n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jww n ALA 52 N -2.82 0.35 -2.73 4.31 0.00 -1.25 -4.86 120.51 113.50 1jww n ALA 52 Ca -0.33 -0.98 -0.09 0.00 0.00 0.00 0.00 53.44 52.04 1jww n ALA 52 Cb 1.11 0.77 -0.07 0.00 0.00 0.00 0.00 19.45 21.26 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 -2.18 0.02 0.26 0.00 1.04 -1.26 -4.34 113.70 107.24 1jww s SER 53 Ca 0.18 -0.74 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 1jww s SER 53 Cb 0.01 0.42 0.41 0.00 0.10 0.00 0.00 66.02 66.96 1jww s SER 53 CO 0.13 -0.85 1.45 0.52 0.98 0.00 0.00 173.24 175.46 1jww n VAL 54 N -0.18 -0.40 -0.26 5.02 0.31 -1.26 -1.06 118.33 120.50 1jww n VAL 54 Ca -0.10 2.13 0.06 0.00 -0.01 0.00 0.00 64.34 66.41 1jww n VAL 54 Cb 0.63 -2.93 0.20 0.00 -0.91 0.00 0.00 33.84 30.82 1jww n VAL 54 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1jww h SER 55 N 0.00 0.31 0.14 4.52 0.02 -1.98 0.14 113.55 116.71 1jww h SER 55 Ca 0.43 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 1jww h SER 55 Cb 0.67 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1jww h SER 55 CO -0.95 0.11 -0.07 -0.78 -1.14 0.00 0.00 176.83 174.00 1jww h ASP 56 N 0.46 -0.16 -0.94 3.07 1.82 -1.49 0.06 116.42 119.24 1jww h ASP 56 Ca 0.43 -0.39 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1jww h ASP 56 Cb 0.65 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.65 1jww h ASP 56 CO -0.40 0.39 0.55 0.17 -1.61 0.00 0.00 179.24 178.34 1jww h LEU 57 N -0.81 1.14 -0.57 2.28 8.10 -1.20 0.23 115.31 124.48 1jww h LEU 57 Ca -0.02 -0.08 0.08 0.00 0.11 0.00 0.00 57.88 57.97 1jww h LEU 57 Cb 0.54 -0.29 -0.10 0.00 -0.44 0.00 0.00 40.66 40.37 1jww h LEU 57 CO 0.03 0.88 -0.47 0.50 -4.11 0.00 0.00 178.44 175.27 1jww h LYS 58 N 1.30 -0.24 -0.57 0.17 3.11 -0.78 -1.24 116.57 118.32 1jww h LYS 58 Ca 0.34 0.02 0.11 0.00 -2.81 0.00 0.00 60.65 58.31 1jww h LYS 58 Cb -0.04 0.05 -0.10 0.00 -1.00 0.00 0.00 32.23 31.15 1jww h LYS 58 CO -0.06 -0.16 -0.01 1.49 -2.81 0.00 0.00 179.45 177.90 1jww h GLU 59 N -0.25 0.10 -0.18 1.90 4.22 0.14 0.17 114.58 120.69 1jww h GLU 59 Ca 0.16 -0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.64 1jww h GLU 59 Cb 0.56 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.72 1jww h GLU 59 CO -0.69 0.07 -0.28 0.00 -2.18 0.00 0.00 179.01 175.93 1jww h ALA 60 N 1.52 -0.25 -0.40 2.92 0.00 0.10 0.20 119.26 123.34 1jww h ALA 60 Ca 0.29 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1jww h ALA 60 Cb 0.46 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1jww h ALA 60 CO -0.49 -0.73 0.17 0.28 0.00 0.00 0.00 179.25 178.47 1jww h VAL 61 N -0.32 1.19 -0.03 0.00 2.07 -0.71 -2.08 116.25 116.37 1jww h VAL 61 Ca 0.11 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1jww h VAL 61 Cb 0.50 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 1jww h VAL 61 CO -0.36 0.21 -0.40 -0.78 0.02 0.00 0.00 177.57 176.26 1jww h ASP 62 N 0.50 -1.22 -1.02 0.57 1.82 0.37 -0.15 116.42 117.29 1jww h ASP 62 Ca 0.13 0.15 0.25 0.00 -0.39 0.00 0.00 57.03 57.18 1jww h ASP 62 Cb 0.17 0.48 -0.10 0.00 0.68 0.00 0.00 39.33 40.57 1jww h ASP 62 CO -0.01 -0.44 0.65 0.50 -1.61 0.00 0.00 179.24 178.33 1jww h LYS 63 N -0.54 0.43 -0.42 0.28 1.63 -0.60 0.07 116.57 117.43 1jww h LYS 63 Ca 0.06 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 1jww h LYS 63 Cb 0.63 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.14 1jww h LYS 63 CO -0.32 0.29 0.23 1.25 -3.45 0.00 0.00 179.45 177.44 1jww h LEU 64 N 0.45 0.50 0.00 5.20 5.85 -0.29 -3.47 115.31 123.55 1jww h LEU 64 Ca 0.59 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1jww h LEU 64 Cb 1.40 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1jww h LEU 64 CO -0.31 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 178.81 1jww n GLY 65 N -1.34 2.70 3.96 3.75 0.00 0.01 -5.10 105.19 109.17 1jww n GLY 65 Ca 0.03 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 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 3.47 0.26 1.61 -0.85 -1.25 -4.95 117.35 115.64 1jww s TYR 66 Ca 0.00 0.09 -0.06 0.00 -0.52 0.00 0.00 57.07 56.58 1jww s TYR 66 Cb 0.00 -1.66 -0.06 0.00 0.38 0.00 0.00 41.96 40.63 1jww s TYR 66 CO 0.00 0.40 0.54 0.21 -1.52 0.00 0.00 175.55 175.17 1jww s LYS 67 N -3.87 3.67 0.12 -3.49 2.20 -1.23 -3.36 119.74 113.78 1jww s LYS 67 Ca 0.35 0.06 0.08 0.00 -0.36 0.00 0.00 55.97 56.11 1jww s LYS 67 Cb -0.10 -2.66 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 1jww s LYS 67 CO 0.30 0.26 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.18 1jww s LEU 68 N -3.31 2.34 -0.07 5.43 2.96 -1.26 -1.63 118.68 123.15 1jww s LEU 68 Ca 0.45 -0.74 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 1jww s LEU 68 Cb -0.11 -0.82 0.04 0.00 0.50 0.00 0.00 46.19 45.80 1jww s LEU 68 CO 0.27 0.01 0.47 -0.75 -1.32 0.00 0.00 176.35 175.04 1jww s LYS 69 N -2.18 0.77 0.88 1.98 2.47 -0.97 -4.96 119.74 117.73 1jww s LYS 69 Ca 0.08 0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 54.54 1jww s LYS 69 Cb -0.09 0.36 0.11 0.00 -1.46 0.00 0.00 37.83 36.76 1jww s LYS 69 CO 0.05 -0.20 1.09 -0.11 0.16 0.00 0.00 175.35 176.34 1jww n LEU 70 N 1.52 3.35 0.00 5.43 7.94 -1.26 -0.20 117.00 133.78 1jww n LEU 70 Ca -0.19 0.47 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 1jww n LEU 70 Cb 0.56 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 43.05 1jww n LEU 70 CO 0.20 -2.15 0.00 1.17 -1.11 0.00 0.00 177.39 175.50 1jww n LYS 71 N -3.64 0.00 0.00 1.96 4.81 0.40 -4.54 118.16 117.15 1jww n LYS 71 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 1jww n LYS 71 Cb 0.52 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 3.20 0.00 0.92 3.14 0.00 -1.25 -5.05 105.19 106.16 1jww n GLY 72 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.10 -0.04 1.61 1.02 -1.26 -4.69 120.64 115.18 1jww n GLU 73 Ca 0.00 1.68 -0.04 0.00 -0.02 0.00 0.00 57.16 58.78 1jww n GLU 73 Cb 0.00 -2.47 -0.04 0.00 -0.02 0.00 0.00 31.44 28.92 1jww n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1jww h GLN 74 N -0.90 -0.04 -4.11 3.49 4.20 -1.86 -3.41 115.11 112.48 1jww h GLN 74 Ca -0.11 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 57.98 1jww h GLN 74 Cb 0.88 0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.69 1jww h GLN 74 CO 0.04 0.22 2.66 -0.25 -0.67 0.00 0.00 178.83 180.84 1jww n ASP 75 N -4.77 3.59 -0.20 1.46 9.92 -1.26 -4.74 116.55 120.55 1jww n ASP 75 Ca -0.03 -2.66 0.21 0.00 -0.53 0.00 0.00 54.79 51.78 1jww n ASP 75 Cb 0.13 -1.28 0.58 0.00 -0.64 0.00 0.00 41.12 39.91 1jww n ASP 75 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1jww h SER 76 N 6.99 0.27 -3.99 -2.24 0.87 -1.84 -3.39 113.55 110.22 1jww h SER 76 Ca 0.50 0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.73 1jww h SER 76 Cb 0.56 -0.02 -0.14 0.00 -0.44 0.00 0.00 62.40 62.36 1jww h SER 76 CO 1.86 0.11 -0.66 0.27 -0.53 0.00 0.00 176.83 177.87 1jww s ILE 77 N -5.28 0.98 0.49 2.23 -4.36 -1.26 -5.12 121.20 108.88 1jww s ILE 77 Ca -0.07 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 1jww s ILE 77 Cb 0.22 -2.26 0.02 0.00 1.25 0.00 0.00 42.46 41.69 1jww s ILE 77 CO 0.78 -0.39 0.48 -1.61 0.24 0.00 0.00 174.94 174.44 1jww s GLU 78 N -3.86 2.41 0.36 0.37 2.02 -1.26 -5.13 118.70 113.60 1jww s GLU 78 Ca 0.27 -1.71 -0.14 0.00 0.02 0.00 0.00 54.97 53.41 1jww s GLU 78 Cb 0.05 -2.36 0.05 0.00 0.10 0.00 0.00 34.13 31.98 1jww s GLU 78 CO 0.07 -0.48 0.73 0.41 0.02 0.00 0.00 175.26 176.01 1jww n GLY 79 N -1.78 1.06 0.00 -1.39 0.00 -1.26 -5.23 105.19 96.59 1jww n GLY 79 Ca 0.04 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19