#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 n SER 2 N 0.00 0.00 0.13 1.61 2.88 -1.26 -5.09 113.62 111.89 1wh7 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wh7 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wh7 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh7 n SER 3 N -1.26 -0.24 0.00 -3.46 7.64 -1.26 -5.10 113.62 109.94 1wh7 n SER 3 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1wh7 n SER 3 Cb 0.00 0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1wh7 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 4 N 1.44 -2.87 2.34 0.23 0.00 -1.26 -4.96 105.19 100.11 1wh7 n GLY 4 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 1wh7 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh7 n SER 5 N 0.00 -4.76 0.13 1.61 2.88 -1.26 -5.05 113.62 107.17 1wh7 n SER 5 Ca 0.00 1.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.99 1wh7 n SER 5 Cb 0.00 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 58.65 1wh7 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh7 n SER 6 N 1.59 0.09 -4.77 -3.46 7.64 -1.26 -5.09 113.62 108.37 1wh7 n SER 6 Ca -0.19 0.42 -0.39 0.00 1.01 0.00 0.00 58.87 59.72 1wh7 n SER 6 Cb 0.29 0.26 -0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1wh7 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh7 s GLY 7 N -4.77 2.92 0.27 0.23 0.00 -1.26 -4.91 107.32 99.81 1wh7 s GLY 7 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1wh7 s GLY 7 CO 0.00 1.84 0.00 1.44 0.00 0.00 0.00 173.10 176.38 1wh7 n SER 8 N 0.05 -0.10 -3.94 1.64 7.64 -1.26 -5.11 113.62 112.54 1wh7 n SER 8 Ca 0.04 0.46 -0.18 0.00 1.01 0.00 0.00 58.87 60.19 1wh7 n SER 8 Cb 0.43 0.36 -0.15 0.00 -1.01 0.00 0.00 64.21 63.84 1wh7 n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1wh7 s ASN 9 N -5.06 0.84 1.11 6.43 4.22 -1.26 -5.13 114.94 116.09 1wh7 s ASN 9 Ca 0.00 -0.12 -0.16 0.00 -2.14 0.00 0.00 52.86 50.43 1wh7 s ASN 9 Cb 0.00 -0.27 0.23 0.00 1.28 0.00 0.00 41.25 42.50 1wh7 s ASN 9 CO 0.00 0.01 1.08 -0.81 -2.04 0.00 0.00 177.10 175.34 1wh7 n PRO 10 N 3.49 -2.01 -3.79 3.55 -0.04 -1.26 -5.10 135.00 129.83 1wh7 n PRO 10 Ca -0.20 -1.69 -0.13 0.00 -0.04 0.00 0.00 63.50 61.45 1wh7 n PRO 10 Cb 0.54 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.57 1wh7 n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wh7 s SER 11 N -4.72 -0.19 -0.07 3.54 0.01 -1.26 -5.17 113.70 105.84 1wh7 s SER 11 Ca 0.65 0.25 -0.31 0.00 1.31 0.00 0.00 55.95 57.85 1wh7 s SER 11 Cb -0.04 0.41 0.11 0.00 0.21 0.00 0.00 66.02 66.71 1wh7 s SER 11 CO 0.47 -0.26 1.02 -0.55 0.41 0.00 0.00 173.24 174.33 1wh7 s SER 12 N -0.64 -0.27 -0.14 2.44 0.15 -1.26 -5.15 113.70 108.83 1wh7 s SER 12 Ca -0.07 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.52 1wh7 s SER 12 Cb -0.04 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.61 1wh7 s SER 12 CO 0.02 -0.48 0.06 -0.94 1.20 0.00 0.00 173.24 173.10 1wh7 s SER 13 N -2.40 2.21 0.00 5.45 1.04 -1.26 -5.09 113.70 113.65 1wh7 s SER 13 Ca 0.07 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1wh7 s SER 13 Cb -0.01 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1wh7 s SER 13 CO -0.07 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1wh7 n GLY 14 N 5.21 1.82 0.00 7.32 0.00 -1.26 -5.10 105.19 113.19 1wh7 n GLY 14 Ca -0.07 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1wh7 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh7 n GLY 15 N 1.02 -1.03 3.71 -0.02 0.00 -1.26 -5.15 105.19 102.46 1wh7 n GLY 15 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1wh7 n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wh7 s THR 16 N 0.00 2.72 -0.28 2.61 -4.23 -1.26 -5.06 115.64 110.14 1wh7 s THR 16 Ca 0.00 0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.54 1wh7 s THR 16 Cb 0.00 -2.60 0.09 0.00 1.34 0.00 0.00 72.50 71.32 1wh7 s THR 16 CO 0.00 -0.30 0.76 -0.89 -0.54 0.00 0.00 174.62 173.65 1wh7 s THR 17 N -2.84 0.00 0.00 3.99 2.01 -1.26 -5.13 115.64 112.41 1wh7 s THR 17 Ca 0.64 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1wh7 s THR 17 Cb -0.19 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1wh7 s THR 17 CO 0.57 0.00 0.00 2.29 -0.69 0.00 0.00 174.62 176.79 1wh7 n LYS 18 N 3.50 0.00 -1.03 4.92 2.85 -1.26 -4.87 118.16 122.26 1wh7 n LYS 18 Ca -0.17 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.23 1wh7 n LYS 18 Cb 0.57 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.92 1wh7 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wh7 n ARG 19 N 0.00 -2.07 -3.22 -1.58 5.12 -1.26 -4.71 116.66 108.95 1wh7 n ARG 19 Ca 0.00 1.36 -0.39 0.00 -1.93 0.00 0.00 57.85 56.89 1wh7 n ARG 19 Cb 0.00 -2.52 -0.06 0.00 -1.16 0.00 0.00 32.46 28.72 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1wh7 s PHE 20 N -1.82 3.71 1.01 -1.55 0.08 -1.26 -5.06 117.98 113.09 1wh7 s PHE 20 Ca 0.00 1.22 -0.11 0.00 0.12 0.00 0.00 56.93 58.16 1wh7 s PHE 20 Cb 0.00 -2.59 0.20 0.00 -0.57 0.00 0.00 43.02 40.06 1wh7 s PHE 20 CO 0.00 0.41 1.09 1.03 -0.10 0.00 0.00 175.22 177.65 1wh7 s ARG 21 N -0.40 0.31 0.45 0.44 0.52 -1.26 -4.90 118.95 114.11 1wh7 s ARG 21 Ca 0.31 1.21 -0.23 0.00 -0.52 0.00 0.00 55.73 56.50 1wh7 s ARG 21 Cb -0.19 -1.67 -0.10 0.00 0.52 0.00 0.00 34.95 33.51 1wh7 s ARG 21 CO 0.18 -3.00 0.88 0.25 0.02 0.00 0.00 175.30 173.62 1wh7 n THR 22 N -4.46 2.46 -4.54 0.02 -2.24 -1.26 -4.99 114.28 99.27 1wh7 n THR 22 Ca 0.08 -0.50 -0.28 0.00 -2.27 0.00 0.00 64.05 61.08 1wh7 n THR 22 Cb 0.53 -1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 67.60 1wh7 n THR 22 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1wh7 s LYS 23 N -2.02 2.16 0.50 -0.78 2.36 -1.26 -5.13 119.74 115.57 1wh7 s LYS 23 Ca 0.65 -0.55 0.06 0.00 -2.55 0.00 0.00 55.97 53.58 1wh7 s LYS 23 Cb -0.54 -1.81 0.01 0.00 -1.05 0.00 0.00 37.83 34.44 1wh7 s LYS 23 CO 0.56 -0.03 0.35 -0.06 1.55 0.00 0.00 175.35 177.72 1wh7 s PHE 24 N 0.88 1.96 0.23 4.03 0.40 -1.26 -5.13 117.98 119.09 1wh7 s PHE 24 Ca -0.09 -0.75 0.09 0.00 -0.60 0.00 0.00 56.93 55.58 1wh7 s PHE 24 Cb -0.15 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1wh7 s PHE 24 CO 0.00 -0.29 -0.02 -0.08 0.70 0.00 0.00 175.22 175.54 1wh7 s THR 25 N -2.70 3.48 0.17 0.64 -1.32 -1.26 -4.91 115.64 109.74 1wh7 s THR 25 Ca 0.36 -1.75 -0.22 0.00 -1.21 0.00 0.00 61.69 58.88 1wh7 s THR 25 Cb -0.01 -2.81 0.08 0.00 -1.51 0.00 0.00 72.50 68.25 1wh7 s THR 25 CO 0.22 -0.26 1.38 0.00 -2.21 0.00 0.00 174.62 173.75 1wh7 n ALA 26 N -0.54 -0.34 -0.25 11.08 0.00 -1.26 0.79 120.51 129.98 1wh7 n ALA 26 Ca -0.08 0.83 -0.09 0.00 0.00 0.00 0.00 53.44 54.10 1wh7 n ALA 26 Cb 0.57 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.72 1wh7 n ALA 26 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wh7 h GLU 27 N 0.00 -0.18 -0.10 0.00 5.08 -1.98 0.82 114.58 118.22 1wh7 h GLU 27 Ca 0.23 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1wh7 h GLU 27 Cb 0.45 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1wh7 h GLU 27 CO -0.86 -0.12 0.06 1.96 -1.00 0.00 0.00 179.01 179.05 1wh7 h GLN 28 N -0.19 0.13 -0.98 2.33 4.20 -0.38 2.07 115.11 122.29 1wh7 h GLN 28 Ca 0.18 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.07 1wh7 h GLN 28 Cb 0.55 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1wh7 h GLN 28 CO -0.75 0.09 0.61 0.87 -0.67 0.00 0.00 178.83 178.98 1wh7 h LYS 29 N 0.13 0.65 0.00 1.46 1.57 0.25 2.04 116.57 122.67 1wh7 h LYS 29 Ca 0.04 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1wh7 h LYS 29 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1wh7 h LYS 29 CO -0.01 0.43 -0.26 0.93 -0.57 0.00 0.00 179.45 179.97 1wh7 h GLU 30 N 0.67 0.00 -0.72 3.15 5.08 0.14 -2.15 114.58 120.76 1wh7 h GLU 30 Ca 0.54 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.99 1wh7 h GLU 30 Cb 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.15 1wh7 h GLU 30 CO -0.31 0.91 0.37 0.87 -1.00 0.00 0.00 179.01 179.85 1wh7 h LYS 31 N -1.00 0.62 -0.24 2.33 6.56 0.40 -1.76 116.57 123.49 1wh7 h LYS 31 Ca -0.07 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.44 1wh7 h LYS 31 Cb 0.98 -0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 32.49 1wh7 h LYS 31 CO -0.04 0.41 -0.03 0.52 -2.06 0.00 0.00 179.45 178.25 1wh7 h MET 32 N 0.64 0.45 -1.00 3.15 2.86 0.31 0.67 114.93 122.01 1wh7 h MET 32 Ca 0.34 -0.15 0.31 0.00 -2.06 0.00 0.00 59.70 58.14 1wh7 h MET 32 Cb 0.33 -0.03 -0.14 0.00 0.06 0.00 0.00 31.60 31.81 1wh7 h MET 32 CO -0.25 0.64 0.58 -0.07 1.06 0.00 0.00 176.91 178.87 1wh7 h LEU 33 N 0.20 0.55 0.00 1.22 -0.00 -0.64 0.60 115.31 117.25 1wh7 h LEU 33 Ca 0.07 0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1wh7 h LEU 33 Cb 0.46 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.23 1wh7 h LEU 33 CO 0.02 -0.09 -0.35 0.00 -0.00 0.00 0.00 178.44 178.02 1wh7 h ALA 34 N 1.82 0.01 -0.87 1.53 0.00 -1.18 -3.13 119.26 117.43 1wh7 h ALA 34 Ca 0.72 -0.36 0.22 0.00 0.00 0.00 0.00 54.91 55.49 1wh7 h ALA 34 Cb 1.59 0.34 -0.16 0.00 0.00 0.00 0.00 17.79 19.55 1wh7 h ALA 34 CO -0.58 0.34 -0.07 0.34 0.00 0.00 0.00 179.25 179.28 1wh7 n PHE 35 N -4.67 0.47 0.43 0.00 7.35 0.23 0.04 117.46 121.32 1wh7 n PHE 35 Ca -0.05 1.06 -0.17 0.00 -0.76 0.00 0.00 57.45 57.52 1wh7 n PHE 35 Cb 0.19 -1.10 -0.08 0.00 0.35 0.00 0.00 39.48 38.84 1wh7 n PHE 35 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wh7 h ALA 36 N 1.75 -1.12 -1.64 3.13 0.00 0.02 -0.78 119.26 120.63 1wh7 h ALA 36 Ca 0.49 -0.25 0.47 0.00 0.00 0.00 0.00 54.91 55.63 1wh7 h ALA 36 Cb 0.92 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 1wh7 h ALA 36 CO -0.85 -1.04 1.24 0.93 0.00 0.00 0.00 179.25 179.54 1wh7 h GLU 37 N -1.30 0.00 0.03 0.00 4.39 -0.33 2.21 114.58 119.58 1wh7 h GLU 37 Ca -0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1wh7 h GLU 37 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1wh7 h GLU 37 CO 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 178.02 1wh7 h ARG 38 N 0.00 -0.04 0.00 2.33 3.08 -0.34 -3.25 114.38 116.16 1wh7 h ARG 38 Ca 0.78 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.83 1wh7 h ARG 38 Cb 3.26 0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.32 1wh7 h ARG 38 CO -0.01 0.58 0.00 1.28 -1.07 0.00 0.00 179.97 180.75 1wh7 n LEU 39 N -4.72 0.71 0.00 3.04 4.77 0.20 -4.85 117.00 116.15 1wh7 n LEU 39 Ca -0.07 0.68 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1wh7 n LEU 39 Cb 0.31 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1wh7 n LEU 39 CO 0.23 -0.60 0.00 0.61 -1.33 0.00 0.00 177.39 176.31 1wh7 n GLY 40 N -0.06 0.69 2.31 -0.72 0.00 0.69 -3.44 105.19 104.66 1wh7 n GLY 40 Ca 0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1wh7 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh7 n TRP 41 N -2.90 -0.36 -3.77 1.61 7.02 -0.36 -4.94 117.44 113.73 1wh7 n TRP 41 Ca 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.35 1wh7 n TRP 41 Cb 0.16 -2.70 -0.13 0.00 -2.42 0.00 0.00 31.31 26.23 1wh7 n TRP 41 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1wh7 s ARG 42 N -4.01 0.22 -0.15 -0.99 1.70 -1.22 -4.65 118.95 109.85 1wh7 s ARG 42 Ca 0.00 0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 55.63 1wh7 s ARG 42 Cb 0.00 0.01 -0.02 0.00 -0.57 0.00 0.00 34.95 34.37 1wh7 s ARG 42 CO 0.00 -0.09 -0.09 0.42 -1.08 0.00 0.00 175.30 174.46 1wh7 s ILE 43 N 0.61 3.34 0.00 4.99 1.01 -1.26 -4.71 121.20 125.18 1wh7 s ILE 43 Ca -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1wh7 s ILE 43 Cb -0.05 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1wh7 s ILE 43 CO -0.03 0.50 0.00 0.00 0.00 0.00 0.00 174.94 175.41 1wh7 n GLN 44 N 3.74 2.63 0.07 2.79 6.02 -1.26 -4.97 117.38 126.40 1wh7 n GLN 44 Ca -0.18 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.79 1wh7 n GLN 44 Cb 0.52 0.00 0.23 0.00 1.02 0.00 0.00 30.24 32.02 1wh7 n GLN 44 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 1wh7 h LYS 45 N 0.00 0.31 -0.10 -1.09 2.10 -2.00 -2.40 116.57 113.39 1wh7 h LYS 45 Ca 0.00 -0.13 -0.12 0.00 -2.00 0.00 0.00 60.65 58.40 1wh7 h LYS 45 Cb 0.00 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1wh7 h LYS 45 CO 0.00 0.62 -0.48 1.12 -2.00 0.00 0.00 179.45 178.71 1wh7 h HIS 46 N 0.27 0.31 -1.04 0.07 2.07 -2.01 -3.07 115.15 111.75 1wh7 h HIS 46 Ca 0.03 -0.10 -0.49 0.00 -2.85 0.00 0.00 60.37 56.97 1wh7 h HIS 46 Cb 0.73 -0.06 -0.17 0.00 2.57 0.00 0.00 27.41 30.47 1wh7 h HIS 46 CO 0.02 0.69 0.37 -0.25 -3.07 0.00 0.00 177.93 175.68 1wh7 n ASP 47 N -3.97 6.44 -0.10 3.10 8.00 -0.90 -4.27 116.55 124.84 1wh7 n ASP 47 Ca -0.02 -3.19 -0.24 0.00 0.71 0.00 0.00 54.79 52.06 1wh7 n ASP 47 Cb 0.53 -1.24 -0.12 0.00 -0.02 0.00 0.00 41.12 40.28 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wh7 n ASP 48 N 0.91 1.94 0.12 -2.24 2.03 -1.16 -3.82 116.55 114.33 1wh7 n ASP 48 Ca 0.49 0.31 -0.10 0.00 0.52 0.00 0.00 54.79 56.01 1wh7 n ASP 48 Cb 0.56 -0.86 -0.06 0.00 -0.72 0.00 0.00 41.12 40.04 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1wh7 h VAL 49 N -0.73 0.43 -1.24 5.18 2.07 -1.86 -2.36 116.25 117.75 1wh7 h VAL 49 Ca -0.48 -0.85 0.40 0.00 0.82 0.00 0.00 66.70 66.59 1wh7 h VAL 49 Cb 1.57 0.72 -0.13 0.00 -1.52 0.00 0.00 31.29 31.93 1wh7 h VAL 49 CO -0.21 0.11 0.79 0.00 0.02 0.00 0.00 177.57 178.28 1wh7 h ALA 50 N -0.70 2.58 -0.06 1.67 0.00 -1.83 1.61 119.26 122.53 1wh7 h ALA 50 Ca -0.04 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wh7 h ALA 50 Cb 0.47 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1wh7 h ALA 50 CO 0.06 -1.18 -0.03 0.28 0.00 0.00 0.00 179.25 178.38 1wh7 h VAL 51 N 0.14 1.33 -0.32 0.00 2.07 -1.64 -2.46 116.25 115.37 1wh7 h VAL 51 Ca 0.78 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1wh7 h VAL 51 Cb 2.34 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.98 1wh7 h VAL 51 CO -0.43 0.29 -0.12 1.05 0.02 0.00 0.00 177.57 178.38 1wh7 h GLU 52 N -0.24 0.54 0.00 1.57 -0.00 0.20 -1.74 114.58 114.90 1wh7 h GLU 52 Ca 0.01 -0.16 -0.02 0.00 -0.00 0.00 0.00 59.36 59.20 1wh7 h GLU 52 Cb 0.47 -0.06 -0.00 0.00 -0.00 0.00 0.00 28.75 29.16 1wh7 h GLU 52 CO 0.01 0.66 -0.08 1.96 -0.00 0.00 0.00 179.01 181.55 1wh7 h GLN 53 N 0.50 0.00 0.01 1.06 4.20 0.18 -0.18 115.11 120.88 1wh7 h GLN 53 Ca 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wh7 h GLN 53 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1wh7 h GLN 53 CO 0.03 0.08 -0.00 0.35 -0.67 0.00 0.00 178.83 178.62 1wh7 h PHE 54 N 0.00 -0.01 -0.46 2.96 3.57 -0.84 -3.16 116.94 119.00 1wh7 h PHE 54 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1wh7 h PHE 54 Cb 0.23 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.87 1wh7 h PHE 54 CO 0.00 -0.00 -0.29 0.00 -2.23 0.00 0.00 178.31 175.78 1wh7 h ALA 56 N 0.96 2.43 -1.37 0.00 0.00 -1.19 2.14 119.26 122.22 1wh7 h ALA 56 Ca 0.20 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1wh7 h ALA 56 Cb 0.52 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1wh7 h ALA 56 CO -0.57 -0.99 0.00 0.39 0.00 0.00 0.00 179.25 178.09 1wh7 n GLU 57 N -4.75 0.00 0.13 0.00 1.02 0.30 -4.63 120.64 112.71 1wh7 n GLU 57 Ca 0.32 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.48 1wh7 n GLU 57 Cb 1.17 -0.54 -0.06 0.00 -0.02 0.00 0.00 31.44 31.99 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wh7 h THR 58 N 0.00 0.41 0.00 2.62 1.35 0.22 -3.47 112.91 114.05 1wh7 h THR 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wh7 h THR 58 Cb 0.00 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 66.83 1wh7 h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1wh7 n GLY 59 N -1.39 1.35 3.63 5.82 0.00 0.72 -4.98 105.19 110.34 1wh7 n GLY 59 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh7 s VAL 60 N -2.00 5.09 1.17 1.61 0.11 -1.25 -4.94 120.40 120.18 1wh7 s VAL 60 Ca 0.00 0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 1wh7 s VAL 60 Cb 0.00 -3.81 0.21 0.00 -1.53 0.00 0.00 36.38 31.25 1wh7 s VAL 60 CO 0.00 0.12 0.52 0.54 -3.33 0.00 0.00 175.10 172.95 1wh7 n ARG 61 N 5.30 -2.17 0.17 1.54 1.74 -1.26 -3.74 116.66 118.24 1wh7 n ARG 61 Ca -0.05 -0.61 -0.07 0.00 -0.77 0.00 0.00 57.85 56.35 1wh7 n ARG 61 Cb 0.50 -1.93 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1wh7 n ARG 61 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1wh7 h ARG 62 N -2.44 -0.44 -0.94 5.56 2.43 -1.97 0.38 114.38 116.96 1wh7 h ARG 62 Ca -0.59 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 58.89 1wh7 h ARG 62 Cb 1.35 0.10 -0.15 0.00 -0.42 0.00 0.00 29.97 30.85 1wh7 h ARG 62 CO 0.44 -0.30 0.36 -0.56 -1.51 0.00 0.00 179.97 178.41 1wh7 h GLN 63 N -0.61 0.22 0.49 0.20 3.07 -1.97 2.01 115.11 118.53 1wh7 h GLN 63 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1wh7 h GLN 63 Cb 0.35 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.87 1wh7 h GLN 63 CO 0.08 0.15 -0.23 0.28 0.09 0.00 0.00 178.83 179.19 1wh7 h VAL 64 N 0.23 0.36 -0.71 1.86 2.07 -1.91 1.63 116.25 119.79 1wh7 h VAL 64 Ca 0.63 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1wh7 h VAL 64 Cb 1.37 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 1wh7 h VAL 64 CO -0.66 0.06 0.35 0.25 0.02 0.00 0.00 177.57 177.58 1wh7 h LEU 65 N -0.98 0.44 0.16 2.57 5.85 0.21 0.55 115.31 124.10 1wh7 h LEU 65 Ca -0.07 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1wh7 h LEU 65 Cb 0.60 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1wh7 h LEU 65 CO 0.11 0.24 -0.08 0.50 -0.34 0.00 0.00 178.44 178.88 1wh7 h LYS 66 N 0.58 -0.21 -0.94 1.25 3.64 0.32 -2.68 116.57 118.53 1wh7 h LYS 66 Ca 0.36 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.97 1wh7 h LYS 66 Cb 0.40 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.19 1wh7 h LYS 66 CO -0.28 0.16 0.62 0.82 -2.27 0.00 0.00 179.45 178.49 1wh7 h ILE 67 N -0.61 0.64 0.45 2.00 2.04 0.31 0.12 117.51 122.47 1wh7 h ILE 67 Ca -0.02 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.68 1wh7 h ILE 67 Cb 0.46 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1wh7 h ILE 67 CO 0.04 0.07 -0.26 -0.25 0.00 0.00 0.00 178.15 177.75 1wh7 h TRP 68 N 0.41 -0.69 -0.50 1.37 7.01 0.32 0.20 115.95 124.06 1wh7 h TRP 68 Ca 0.50 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.59 1wh7 h TRP 68 Cb 1.26 0.24 -0.10 0.00 -2.10 0.00 0.00 29.16 28.46 1wh7 h TRP 68 CO -0.00 -0.40 -0.15 0.52 -2.79 0.00 0.00 178.44 175.62 1wh7 h MET 69 N -0.66 -0.03 0.00 2.65 2.86 -0.90 1.34 114.93 120.18 1wh7 h MET 69 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1wh7 h MET 69 Cb 0.52 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.19 1wh7 h MET 69 CO 0.07 -0.02 0.00 1.58 1.06 0.00 0.00 176.91 179.60 1wh7 n HIS 70 N -5.38 0.66 0.83 -0.22 -0.00 0.31 0.19 115.22 111.61 1wh7 n HIS 70 Ca 0.04 0.33 0.09 0.00 -0.00 0.00 0.00 57.72 58.18 1wh7 n HIS 70 Cb 0.28 -1.02 -0.11 0.00 -0.00 0.00 0.00 29.99 29.14 1wh7 n HIS 70 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 1wh7 n ASN 71 N -2.16 0.87 -0.01 0.26 3.02 0.41 -4.17 115.26 113.47 1wh7 n ASN 71 Ca -0.01 -0.87 0.01 0.00 -0.03 0.00 0.00 54.58 53.68 1wh7 n ASN 71 Cb 0.06 1.08 0.02 0.00 -0.61 0.00 0.00 39.78 40.33 1wh7 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wh7 n ASN 72 N -1.52 1.89 -0.01 6.41 3.02 0.18 -4.55 115.26 120.68 1wh7 n ASN 72 Ca 0.03 -2.06 0.06 0.00 -0.03 0.00 0.00 54.58 52.58 1wh7 n ASN 72 Cb 0.32 -0.05 -0.14 0.00 -0.61 0.00 0.00 39.78 39.30 1wh7 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh7 n LYS 73 N -0.57 0.66 -3.15 3.52 2.85 0.50 -4.92 118.16 117.05 1wh7 n LYS 73 Ca 0.02 -0.09 0.06 0.00 -1.05 0.00 0.00 58.31 57.25 1wh7 n LYS 73 Cb 0.31 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 1wh7 n LYS 73 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1wh7 s ASN 74 N -4.91 -0.01 0.00 -5.58 0.01 -1.26 -5.08 114.94 98.12 1wh7 s ASN 74 Ca -0.07 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1wh7 s ASN 74 Cb 0.11 1.01 0.00 0.00 0.41 0.00 0.00 41.25 42.78 1wh7 s ASN 74 CO 0.87 -0.00 0.00 -1.20 -1.51 0.00 0.00 177.10 175.26 1wh7 n SER 75 N 5.48 0.00 0.00 -1.22 7.64 -1.26 -4.83 113.62 119.43 1wh7 n SER 75 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1wh7 n SER 75 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 76 N -0.34 1.73 3.55 0.23 0.00 -1.26 -5.00 105.19 104.11 1wh7 n GLY 76 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1wh7 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh7 s PRO 77 N 0.00 2.93 -0.28 1.61 0.04 -1.26 -4.87 135.00 133.16 1wh7 s PRO 77 Ca 0.00 0.08 -0.31 0.00 0.04 0.00 0.00 61.00 60.81 1wh7 s PRO 77 Cb 0.00 -4.39 0.19 0.00 0.04 0.00 0.00 34.50 30.34 1wh7 s PRO 77 CO 0.00 -2.48 1.36 0.45 0.04 0.00 0.00 177.00 176.37 1wh7 s SER 78 N 5.96 -0.03 -0.53 6.66 0.15 -1.26 -5.11 113.70 119.54 1wh7 s SER 78 Ca 0.52 0.03 0.04 0.00 0.70 0.00 0.00 55.95 57.24 1wh7 s SER 78 Cb -0.09 0.03 0.14 0.00 -1.71 0.00 0.00 66.02 64.38 1wh7 s SER 78 CO 0.15 -0.04 0.28 -0.55 1.20 0.00 0.00 173.24 174.29 1wh7 s SER 79 N -1.20 4.27 0.00 5.45 0.15 -1.26 -5.23 113.70 115.88 1wh7 s SER 79 Ca 0.09 -3.06 0.00 0.00 0.70 0.00 0.00 55.95 53.68 1wh7 s SER 79 Cb -0.01 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 1wh7 s SER 79 CO -0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.76