#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 3.51 -0.13 1.55 -4.23 -1.26 -4.59 115.64 110.49 1jww s THR 2 Ca 0.00 -1.47 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 1jww s THR 2 Cb 0.00 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 1jww s THR 2 CO 0.00 -0.08 0.12 -1.61 -0.54 0.00 0.00 174.62 172.51 1jww s GLU 3 N -2.80 3.50 -0.24 3.99 8.01 0.79 -4.79 118.70 127.17 1jww s GLU 3 Ca 0.26 -0.18 -0.27 0.00 0.01 0.00 0.00 54.97 54.78 1jww s GLU 3 Cb -0.09 -3.17 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 1jww s GLU 3 CO 0.17 0.69 0.96 0.21 0.01 0.00 0.00 175.26 177.30 1jww s LYS 4 N -0.78 4.22 0.12 1.61 2.47 -1.26 -0.74 119.74 125.38 1jww s LYS 4 Ca 0.13 1.19 0.07 0.00 -1.56 0.00 0.00 55.97 55.80 1jww s LYS 4 Cb -0.12 -3.65 -0.04 0.00 -1.46 0.00 0.00 37.83 32.57 1jww s LYS 4 CO 0.03 -0.60 -0.16 0.00 0.16 0.00 0.00 175.35 174.78 1jww s ALA 5 N 3.08 1.60 0.04 3.13 0.00 0.27 -4.50 121.76 125.38 1jww s ALA 5 Ca 0.41 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 51.13 1jww s ALA 5 Cb -0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1jww s ALA 5 CO 0.07 0.17 -0.16 -1.21 0.00 0.00 0.00 175.76 174.63 1jww s GLU 6 N -2.48 1.10 -0.04 0.00 2.02 -1.15 -1.31 118.70 116.84 1jww s GLU 6 Ca 0.09 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.29 1jww s GLU 6 Cb -0.06 -1.15 0.01 0.00 0.10 0.00 0.00 34.13 33.03 1jww s GLU 6 CO 0.04 0.29 -0.11 -0.06 0.02 0.00 0.00 175.26 175.44 1jww s PHE 7 N -0.81 1.22 0.07 1.61 0.08 0.30 -0.52 117.98 119.93 1jww s PHE 7 Ca 0.04 -0.36 -0.24 0.00 0.12 0.00 0.00 56.93 56.48 1jww s PHE 7 Cb -0.08 -0.88 -0.06 0.00 -0.57 0.00 0.00 43.02 41.43 1jww s PHE 7 CO 0.01 -0.17 0.75 0.16 -0.10 0.00 0.00 175.22 175.87 1jww s ASP 8 N 0.36 7.23 -0.12 1.36 -4.77 -0.03 -1.47 116.67 119.23 1jww s ASP 8 Ca -0.07 1.46 -0.02 0.00 -3.30 0.00 0.00 52.55 50.62 1jww s ASP 8 Cb -0.12 -2.46 -0.03 0.00 -1.09 0.00 0.00 42.92 39.22 1jww s ASP 8 CO 0.02 0.08 -0.05 -0.63 0.70 0.00 0.00 175.17 175.29 1jww s ILE 9 N -0.37 3.85 -0.26 2.11 -1.09 -1.24 -1.76 121.20 122.45 1jww s ILE 9 Ca 0.37 -0.39 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1jww s ILE 9 Cb -0.21 -2.64 0.07 0.00 -1.58 0.00 0.00 42.46 38.10 1jww s ILE 9 CO 0.23 0.54 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.84 1jww s GLU 10 N -0.19 1.61 0.00 2.79 2.02 -0.29 -4.97 118.70 119.68 1jww s GLU 10 Ca 0.03 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 53.88 1jww s GLU 10 Cb -0.13 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1jww s GLU 10 CO 0.02 -0.66 0.00 0.41 0.02 0.00 0.00 175.26 175.05 1jww n GLY 11 N 4.61 -0.26 3.75 -1.39 0.00 -1.26 -1.64 105.19 108.99 1jww n GLY 11 Ca -0.10 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1jww n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jww s MET 12 N 0.00 4.70 -0.42 1.61 -1.94 -1.26 -4.99 119.30 116.99 1jww s MET 12 Ca 0.00 1.71 0.08 0.00 -1.71 0.00 0.00 55.69 55.77 1jww s MET 12 Cb 0.00 -3.23 0.28 0.00 2.01 0.00 0.00 34.83 33.90 1jww s MET 12 CO 0.00 0.28 0.76 -2.37 -0.01 0.00 0.00 175.02 173.68 1jww n THR 13 N 1.41 -0.29 -3.69 2.05 5.66 -1.26 -4.92 114.28 113.24 1jww n THR 13 Ca -0.01 -3.12 -0.14 0.00 -3.05 0.00 0.00 64.05 57.73 1jww n THR 13 Cb 0.46 -0.15 -0.09 0.00 -1.55 0.00 0.00 70.33 69.00 1jww n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jww h ALA 15 N 4.67 0.62 0.00 0.00 0.00 -1.98 0.18 119.26 122.75 1jww h ALA 15 Ca -0.28 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1jww h ALA 15 Cb 1.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1jww h ALA 15 CO 0.28 -0.22 -0.52 0.00 0.00 0.00 0.00 179.25 178.78 1jww h ALA 16 N 1.34 0.92 0.02 0.00 0.00 -1.98 0.13 119.26 119.70 1jww h ALA 16 Ca 0.24 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jww h ALA 16 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jww h ALA 16 CO -0.25 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.64 1jww h ALA 18 N 0.18 1.03 -0.53 0.00 0.00 -0.64 0.13 119.26 119.43 1jww h ALA 18 Ca -0.00 0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1jww h ALA 18 Cb 0.69 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1jww h ALA 18 CO 0.00 -0.46 0.35 -0.97 0.00 0.00 0.00 179.25 178.17 1jww h ASN 19 N 0.13 0.50 -0.18 0.00 -0.00 -0.63 -0.89 115.58 114.50 1jww h ASN 19 Ca 0.49 -0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.70 1jww h ASN 19 Cb 0.95 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.14 1jww h ASN 19 CO -0.70 0.34 -0.16 -0.09 -0.00 0.00 0.00 177.43 176.82 1jww h ARG 20 N 0.57 0.58 0.09 6.67 2.43 -0.41 -2.64 114.38 121.69 1jww h ARG 20 Ca 0.22 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1jww h ARG 20 Cb 0.14 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.59 1jww h ARG 20 CO -0.06 0.72 -0.44 0.82 -1.51 0.00 0.00 179.97 179.50 1jww h ILE 21 N 0.53 0.12 -0.79 1.20 2.04 -0.84 -0.18 117.51 119.60 1jww h ILE 21 Ca 0.09 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.13 1jww h ILE 21 Cb 0.58 0.12 -0.14 0.00 -0.74 0.00 0.00 36.82 36.64 1jww h ILE 21 CO 0.04 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.81 1jww h GLU 22 N -0.66 0.06 -0.15 2.37 5.08 -1.26 0.29 114.58 120.31 1jww h GLU 22 Ca 0.02 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1jww h GLU 22 Cb 0.69 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1jww h GLU 22 CO -0.27 0.04 -0.06 0.87 -1.00 0.00 0.00 179.01 178.59 1jww h LYS 23 N 0.07 0.31 -0.53 2.33 1.57 -1.34 0.51 116.57 119.49 1jww h LYS 23 Ca 0.42 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 1jww h LYS 23 Cb 0.73 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 1jww h LYS 23 CO -0.73 0.62 0.15 -0.09 -0.57 0.00 0.00 179.45 178.83 1jww h ARG 24 N -0.02 0.79 0.06 3.15 9.65 0.76 -1.67 114.38 127.10 1jww h ARG 24 Ca 0.03 -0.15 -0.24 0.00 -1.10 0.00 0.00 59.98 58.52 1jww h ARG 24 Cb 0.52 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1jww h ARG 24 CO 0.02 0.70 -1.08 -0.07 2.80 0.00 0.00 179.97 182.34 1jww h LEU 25 N 0.77 0.41 -2.34 3.80 3.38 -0.43 -3.11 115.31 117.78 1jww h LEU 25 Ca 0.17 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jww h LEU 25 Cb 0.25 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jww h LEU 25 CO -0.01 1.24 -0.01 0.78 0.09 0.00 0.00 178.44 180.53 1jww h ASN 26 N 0.12 0.00 -0.92 -0.43 2.35 0.52 0.13 115.58 117.36 1jww h ASN 26 Ca -0.10 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1jww h ASN 26 Cb 1.76 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 40.04 1jww h ASN 26 CO 0.18 0.01 0.54 0.07 -1.65 0.00 0.00 177.43 176.58 1jww h LYS 27 N 0.00 0.81 -6.63 0.81 2.10 -1.25 -3.43 116.57 108.99 1jww h LYS 27 Ca -0.00 -0.05 -0.53 0.00 -2.00 0.00 0.00 60.65 58.07 1jww h LYS 27 Cb 0.22 -0.18 0.06 0.00 -0.90 0.00 0.00 32.23 31.42 1jww h LYS 27 CO 0.00 0.54 0.97 -0.89 -2.00 0.00 0.00 179.45 178.07 1jww n ILE 28 N -4.72 0.00 -0.03 0.07 2.08 0.44 -4.93 119.36 112.28 1jww n ILE 28 Ca 0.17 -0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.35 1jww n ILE 28 Cb 0.37 -1.90 -0.10 0.00 -0.75 0.00 0.00 39.64 37.25 1jww n ILE 28 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1jww h GLU 29 N 6.62 0.09 -1.87 0.38 4.81 -1.86 -3.25 114.58 119.50 1jww h GLU 29 Ca -0.43 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 1jww h GLU 29 Cb 1.21 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 1jww h GLU 29 CO 0.94 0.71 0.10 0.41 -0.73 0.00 0.00 179.01 180.45 1jww n GLY 30 N 0.67 3.02 3.76 1.92 0.00 -1.26 -4.83 105.19 108.47 1jww n GLY 30 Ca -0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.62 4.65 -0.13 1.61 0.11 -1.23 -0.44 120.40 124.34 1jww s VAL 31 Ca 0.14 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 58.68 1jww s VAL 31 Cb 0.10 -3.10 -0.06 0.00 -1.53 0.00 0.00 36.38 31.79 1jww s VAL 31 CO -0.01 0.38 -0.24 0.00 -3.33 0.00 0.00 175.10 171.91 1jww n ALA 32 N 1.31 1.69 -3.00 1.54 0.00 0.41 -4.96 120.51 117.50 1jww n ALA 32 Ca -0.14 -0.64 -0.12 0.00 0.00 0.00 0.00 53.44 52.54 1jww n ALA 32 Cb 0.53 0.18 -0.12 0.00 0.00 0.00 0.00 19.45 20.04 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 -6.29 -0.04 -0.40 0.00 0.01 -1.00 -5.00 114.94 102.21 1jww s ASN 33 Ca -0.23 0.05 0.12 0.00 -0.71 0.00 0.00 52.86 52.09 1jww s ASN 33 Cb 0.06 0.20 0.39 0.00 0.41 0.00 0.00 41.25 42.31 1jww s ASN 33 CO 0.31 -0.13 0.89 0.00 -1.51 0.00 0.00 177.10 176.65 1jww n ALA 34 N 2.57 3.33 -2.09 0.60 0.00 -1.26 -0.27 120.51 123.38 1jww n ALA 34 Ca -0.16 -3.68 -0.41 0.00 0.00 0.00 0.00 53.44 49.19 1jww n ALA 34 Cb 0.58 -0.84 -0.01 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 -0.02 2.73 -1.53 0.00 -0.04 -1.17 -4.61 135.00 130.36 1jww n PRO 35 Ca 0.23 -2.81 -0.35 0.00 -0.04 0.00 0.00 63.50 60.53 1jww n PRO 35 Cb 0.66 -3.40 0.08 0.00 -0.04 0.00 0.00 33.50 30.81 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 4.73 2.29 -0.04 0.52 -7.23 -1.25 -4.30 120.40 115.13 1jww s VAL 36 Ca 0.54 0.15 -0.14 0.00 -1.81 0.00 0.00 61.98 60.72 1jww s VAL 36 Cb 0.08 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 1jww s VAL 36 CO 0.03 -0.07 0.37 0.20 -0.31 0.00 0.00 175.10 175.32 1jww s ASN 37 N -1.89 6.72 -0.45 4.85 0.01 -0.29 -4.90 114.94 118.98 1jww s ASN 37 Ca 0.76 0.85 0.04 0.00 -0.71 0.00 0.00 52.86 53.80 1jww s ASN 37 Cb -0.31 -2.22 0.43 0.00 0.41 0.00 0.00 41.25 39.56 1jww s ASN 37 CO 0.43 0.30 1.32 2.22 -1.51 0.00 0.00 177.10 179.86 1jww n PHE 38 N 2.10 3.12 0.00 2.20 -1.74 -1.26 -4.30 117.46 117.58 1jww n PHE 38 Ca -0.14 -2.71 0.00 0.00 -0.56 0.00 0.00 57.45 54.04 1jww n PHE 38 Cb 0.53 -0.42 0.00 0.00 1.52 0.00 0.00 39.48 41.11 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 -0.61 0.00 0.25 1.98 0.00 -1.26 -4.46 120.51 116.41 1jww n ALA 39 Ca 0.45 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.03 1jww n ALA 39 Cb 0.72 0.00 0.43 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 -1.70 0.00 3.38 -2.00 -3.47 115.31 111.51 1jww h LEU 40 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 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 0.02 -0.64 -0.62 0.09 0.00 0.00 178.44 177.29 1jww n GLU 41 N -3.11 -5.51 -3.73 1.13 1.02 -1.26 -5.04 120.64 104.14 1jww n GLU 41 Ca 0.02 0.71 -0.17 0.00 -0.02 0.00 0.00 57.16 57.70 1jww n GLU 41 Cb 0.42 -5.30 -0.17 0.00 -0.02 0.00 0.00 31.44 26.37 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 -3.30 -0.08 -0.02 2.62 -4.23 -1.26 -3.71 115.64 105.65 1jww s THR 42 Ca 0.00 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.65 1jww s THR 42 Cb -0.00 -0.11 -0.05 0.00 1.34 0.00 0.00 72.50 73.67 1jww s THR 42 CO 0.61 0.13 0.48 -0.69 -0.54 0.00 0.00 174.62 174.60 1jww s VAL 43 N 1.53 5.01 -0.14 2.29 1.01 -0.54 -1.14 120.40 128.42 1jww s VAL 43 Ca -0.03 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1jww s VAL 43 Cb -0.13 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1jww s VAL 43 CO -0.03 0.48 -0.22 -0.89 0.00 0.00 0.00 175.10 174.44 1jww s THR 44 N -0.48 2.05 0.03 3.92 2.01 -1.26 -0.54 115.64 121.37 1jww s THR 44 Ca 0.26 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1jww s THR 44 Cb -0.17 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 1jww s THR 44 CO 0.14 0.55 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.84 1jww s VAL 45 N 0.83 0.61 -0.41 3.82 1.01 -0.43 -3.02 120.40 122.80 1jww s VAL 45 Ca -0.07 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1jww s VAL 45 Cb -0.15 -0.61 0.06 0.00 0.00 0.00 0.00 36.38 35.68 1jww s VAL 45 CO -0.02 -0.18 0.26 -0.70 0.00 0.00 0.00 175.10 174.46 1jww s GLU 46 N -1.10 2.73 0.04 2.72 2.12 0.63 -0.57 118.70 125.26 1jww s GLU 46 Ca -0.05 -1.32 -0.00 0.00 0.36 0.00 0.00 54.97 53.96 1jww s GLU 46 Cb -0.07 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 1jww s GLU 46 CO 0.00 -0.88 -0.03 1.52 -0.54 0.00 0.00 175.26 175.33 1jww s TYR 47 N 1.50 0.41 -0.17 5.30 -0.85 0.08 -0.45 117.35 123.17 1jww s TYR 47 Ca 0.03 -0.76 -0.15 0.00 -0.52 0.00 0.00 57.07 55.66 1jww s TYR 47 Cb -0.22 -0.30 -0.04 0.00 0.38 0.00 0.00 41.96 41.78 1jww s TYR 47 CO 0.04 -0.26 0.37 0.54 -1.52 0.00 0.00 175.55 174.72 1jww s ASN 48 N -2.12 6.48 -1.03 -0.18 2.20 0.41 -0.15 114.94 120.56 1jww s ASN 48 Ca -0.05 0.57 -0.07 0.00 -0.94 0.00 0.00 52.86 52.36 1jww s ASN 48 Cb -0.02 -2.22 -0.10 0.00 -2.00 0.00 0.00 41.25 36.91 1jww s ASN 48 CO -0.05 0.02 2.67 -0.81 -2.94 0.00 0.00 177.10 175.99 1jww n PRO 49 N 3.93 2.69 0.02 3.55 -0.04 -1.25 -3.55 135.00 140.34 1jww n PRO 49 Ca -0.10 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1jww n PRO 49 Cb 0.52 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.59 0.00 -0.01 0.54 3.00 -1.26 -4.88 118.16 119.14 1jww n LYS 50 Ca 0.57 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.67 1jww n LYS 50 Cb 0.30 -0.39 -0.13 0.00 0.00 0.00 0.00 35.03 34.81 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 0.22 -3.13 1.64 4.57 -1.89 -3.49 114.58 112.50 1jww h GLU 51 Ca 0.00 -0.37 -0.13 0.00 -1.18 0.00 0.00 59.36 57.68 1jww h GLU 51 Cb 0.54 0.14 -0.21 0.00 -0.16 0.00 0.00 28.75 29.06 1jww h GLU 51 CO 0.00 1.18 -0.34 0.00 -1.18 0.00 0.00 179.01 178.67 1jww s ALA 52 N -2.51 -0.68 0.11 2.92 0.00 -1.24 -4.83 121.76 115.53 1jww s ALA 52 Ca -0.23 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1jww s ALA 52 Cb 0.06 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.15 1jww s ALA 52 CO 0.74 -0.22 0.12 -1.13 0.00 0.00 0.00 175.76 175.26 1jww n SER 53 N 1.69 0.97 0.09 0.00 3.41 -1.26 -3.90 113.62 114.63 1jww n SER 53 Ca -0.20 -1.36 0.04 0.00 -0.26 0.00 0.00 58.87 57.10 1jww n SER 53 Cb 0.56 -0.04 0.45 0.00 -0.26 0.00 0.00 64.21 64.93 1jww n SER 53 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1jww h VAL 54 N 0.32 1.11 -0.74 -3.33 3.04 -1.99 -3.02 116.25 111.63 1jww h VAL 54 Ca -0.06 -0.34 0.09 0.00 -1.01 0.00 0.00 66.70 65.38 1jww h VAL 54 Cb 0.26 0.82 -0.07 0.00 -2.01 0.00 0.00 31.29 30.29 1jww h VAL 54 CO 0.10 0.13 0.39 -1.28 -1.01 0.00 0.00 177.57 175.89 1jww h SER 55 N 0.35 0.52 0.36 3.17 0.87 -1.98 0.28 113.55 117.12 1jww h SER 55 Ca 0.09 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1jww h SER 55 Cb 0.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1jww h SER 55 CO -0.01 0.30 -0.17 0.44 -0.53 0.00 0.00 176.83 176.85 1jww h ASP 56 N 0.65 -0.41 -0.38 6.23 5.19 -1.92 0.14 116.42 125.92 1jww h ASP 56 Ca 0.36 -0.10 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1jww h ASP 56 Cb 0.37 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1jww h ASP 56 CO -0.26 -0.12 -0.13 0.17 -3.12 0.00 0.00 179.24 175.78 1jww h LEU 57 N -0.70 0.77 -0.75 1.55 8.10 -1.49 0.88 115.31 123.68 1jww h LEU 57 Ca -0.05 -0.38 0.15 0.00 0.11 0.00 0.00 57.88 57.71 1jww h LEU 57 Cb 0.49 -0.21 -0.14 0.00 -0.44 0.00 0.00 40.66 40.35 1jww h LEU 57 CO 0.08 0.98 -0.22 0.50 -4.11 0.00 0.00 178.44 175.67 1jww h LYS 58 N 0.56 -0.02 -0.51 0.17 3.64 -0.43 -0.13 116.57 119.86 1jww h LYS 58 Ca 0.09 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1jww h LYS 58 Cb 0.66 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1jww h LYS 58 CO 0.04 -0.01 0.32 1.49 -2.27 0.00 0.00 179.45 179.02 1jww h GLU 59 N -0.02 0.63 -0.44 1.90 4.81 0.45 0.21 114.58 122.12 1jww h GLU 59 Ca 0.35 -0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1jww h GLU 59 Cb 0.56 -0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 1jww h GLU 59 CO -0.78 0.42 -0.09 0.00 -0.73 0.00 0.00 179.01 177.82 1jww h ALA 60 N 1.20 0.31 -0.31 2.92 0.00 0.43 0.25 119.26 124.07 1jww h ALA 60 Ca 0.19 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1jww h ALA 60 Cb -0.04 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jww h ALA 60 CO -0.06 -0.44 -0.14 0.28 0.00 0.00 0.00 179.25 178.89 1jww h VAL 61 N 0.01 1.29 -0.94 0.00 2.07 -0.65 0.08 116.25 118.12 1jww h VAL 61 Ca 0.21 -1.23 0.14 0.00 0.82 0.00 0.00 66.70 66.64 1jww h VAL 61 Cb 0.32 1.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.44 1jww h VAL 61 CO -0.44 0.39 0.56 -0.78 0.02 0.00 0.00 177.57 177.32 1jww h ASP 62 N 0.40 0.77 0.21 0.57 1.82 0.15 -1.06 116.42 119.28 1jww h ASP 62 Ca 0.07 0.07 -0.22 0.00 -0.39 0.00 0.00 57.03 56.56 1jww h ASP 62 Cb 0.66 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1jww h ASP 62 CO 0.04 0.37 -0.89 0.50 -1.61 0.00 0.00 179.24 177.66 1jww h LYS 63 N 0.83 0.50 -0.91 0.28 1.63 -0.35 -2.44 116.57 116.12 1jww h LYS 63 Ca 0.49 -0.49 0.20 0.00 -0.85 0.00 0.00 60.65 60.00 1jww h LYS 63 Cb 0.59 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 32.27 1jww h LYS 63 CO -0.31 1.13 0.60 -0.07 -3.45 0.00 0.00 179.45 177.35 1jww h LEU 64 N 0.31 0.41 0.00 5.20 3.38 0.25 -3.46 115.31 121.40 1jww h LEU 64 Ca -0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jww h LEU 64 Cb 1.51 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1jww h LEU 64 CO 0.16 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.46 1jww n GLY 65 N -1.51 1.79 3.13 0.83 0.00 -0.66 -5.09 105.19 103.67 1jww n GLY 65 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.46 -0.01 1.61 1.13 -1.20 -4.97 117.35 112.38 1jww s TYR 66 Ca 0.00 -0.97 0.01 0.00 -1.41 0.00 0.00 57.07 54.70 1jww s TYR 66 Cb 0.00 -0.31 -0.04 0.00 -1.10 0.00 0.00 41.96 40.51 1jww s TYR 66 CO 0.00 -0.44 0.02 0.21 -2.51 0.00 0.00 175.55 172.84 1jww s LYS 67 N -3.92 2.88 0.09 -3.49 2.20 -0.65 -3.25 119.74 113.61 1jww s LYS 67 Ca 0.08 -0.55 0.10 0.00 -0.36 0.00 0.00 55.97 55.23 1jww s LYS 67 Cb 0.07 -2.73 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 1jww s LYS 67 CO -0.09 0.64 -0.25 -1.17 -0.36 0.00 0.00 175.35 174.12 1jww s LEU 68 N -1.52 2.26 0.21 5.43 2.96 -1.26 -1.14 118.68 125.62 1jww s LEU 68 Ca 0.20 -0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 53.39 1jww s LEU 68 Cb -0.12 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1jww s LEU 68 CO 0.10 0.18 0.23 -0.54 -1.32 0.00 0.00 176.35 174.99 1jww s LYS 69 N -1.72 1.30 0.21 1.98 -0.14 -0.72 -4.94 119.74 115.70 1jww s LYS 69 Ca 0.11 -1.53 -0.06 0.00 -1.36 0.00 0.00 55.97 53.13 1jww s LYS 69 Cb -0.10 0.32 -0.06 0.00 -1.68 0.00 0.00 37.83 36.32 1jww s LYS 69 CO 0.04 -0.46 0.48 -1.17 -0.76 0.00 0.00 175.35 173.48 1jww s LEU 70 N -3.12 4.18 0.03 3.17 0.20 -1.26 -0.85 118.68 121.03 1jww s LEU 70 Ca 0.35 0.71 -0.03 0.00 0.69 0.00 0.00 54.13 55.85 1jww s LEU 70 Cb 0.05 -3.48 -0.01 0.00 -0.43 0.00 0.00 46.19 42.32 1jww s LEU 70 CO 0.11 -0.05 -0.05 1.17 -0.29 0.00 0.00 176.35 177.24 1jww n LYS 71 N -0.28 0.08 0.00 1.98 4.81 0.32 -4.77 118.16 120.31 1jww n LYS 71 Ca -0.01 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 1jww n LYS 71 Cb 0.53 -0.54 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 3.10 -2.13 3.78 3.14 0.00 -1.18 -5.01 105.19 106.90 1jww n GLY 72 Ca -0.02 0.76 -0.02 0.00 0.00 0.00 0.00 46.02 46.74 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 0.98 -0.32 1.61 -1.05 -1.26 -2.95 118.70 115.71 1jww s GLU 73 Ca 0.00 -0.58 -0.37 0.00 -0.15 0.00 0.00 54.97 53.87 1jww s GLU 73 Cb 0.00 0.31 -0.13 0.00 -0.44 0.00 0.00 34.13 33.87 1jww s GLU 73 CO 0.00 -0.45 2.07 0.00 0.95 0.00 0.00 175.26 177.83 1jww n GLN 74 N -0.58 1.11 -1.72 -4.83 -0.00 -1.26 -4.61 117.38 105.49 1jww n GLN 74 Ca -0.05 0.34 -0.41 0.00 -0.00 0.00 0.00 57.00 56.88 1jww n GLN 74 Cb 0.61 -2.34 -0.01 0.00 -0.00 0.00 0.00 30.24 28.50 1jww n GLN 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1jww n ASP 75 N 8.51 5.04 -3.47 2.61 -0.08 -1.26 -4.78 116.55 123.13 1jww n ASP 75 Ca 0.38 -2.83 -0.20 0.00 -1.51 0.00 0.00 54.79 50.63 1jww n ASP 75 Cb 0.20 -1.61 -0.12 0.00 2.34 0.00 0.00 41.12 41.92 1jww n ASP 75 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1jww s SER 76 N 2.68 1.81 -0.02 1.67 0.15 -1.26 -5.00 113.70 113.72 1jww s SER 76 Ca 0.51 -0.56 0.17 0.00 0.70 0.00 0.00 55.95 56.77 1jww s SER 76 Cb 0.14 0.30 -0.26 0.00 -1.71 0.00 0.00 66.02 64.49 1jww s SER 76 CO -0.07 -0.36 0.38 2.30 1.20 0.00 0.00 173.24 176.68 1jww n ILE 77 N 5.31 0.00 -1.79 6.45 -5.35 -1.26 -5.00 119.36 117.71 1jww n ILE 77 Ca -0.04 -0.38 -0.32 0.00 -0.27 0.00 0.00 62.75 61.74 1jww n ILE 77 Cb 0.47 0.13 0.03 0.00 -1.74 0.00 0.00 39.64 38.54 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 -3.17 3.17 0.00 6.28 2.02 -1.26 -4.96 118.70 120.78 1jww s GLU 78 Ca -0.06 1.02 0.00 0.00 0.02 0.00 0.00 54.97 55.95 1jww s GLU 78 Cb 0.11 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1jww s GLU 78 CO 0.71 -0.92 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1jww n GLY 79 N -1.69 -1.54 0.00 -1.39 0.00 -1.26 -5.24 105.19 94.06 1jww n GLY 79 Ca 0.08 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1jww n GLY 79 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19