#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 s SER 2 N 0.00 0.27 -0.10 1.61 0.01 -1.26 -5.16 113.70 109.08 1wh7 s SER 2 Ca 0.00 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 56.50 1wh7 s SER 2 Cb 0.00 0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 1wh7 s SER 2 CO 0.00 -0.61 -0.04 -0.44 0.41 0.00 0.00 173.24 172.56 1wh7 s SER 3 N -2.65 4.86 0.00 2.44 0.01 -1.26 -5.06 113.70 112.04 1wh7 s SER 3 Ca 0.03 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wh7 s SER 3 Cb 0.04 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1wh7 s SER 3 CO -0.09 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.49 1wh7 n GLY 4 N 2.56 3.41 3.67 3.44 0.00 -1.26 -5.08 105.19 111.92 1wh7 n GLY 4 Ca -0.18 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1wh7 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 s SER 5 N 1.00 7.06 0.04 1.61 0.01 -1.26 -4.52 113.70 117.63 1wh7 s SER 5 Ca 0.00 1.31 0.00 0.00 1.31 0.00 0.00 55.95 58.57 1wh7 s SER 5 Cb 0.00 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1wh7 s SER 5 CO 0.00 -0.54 0.00 -1.20 0.41 0.00 0.00 173.24 171.91 1wh7 n SER 6 N 5.75 -0.35 0.00 2.44 7.64 -1.26 -5.08 113.62 122.75 1wh7 n SER 6 Ca 0.09 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1wh7 n SER 6 Cb 0.47 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.43 1wh7 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 7 N -1.04 -1.17 2.19 0.23 0.00 -1.26 -5.09 105.19 99.04 1wh7 n GLY 7 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1wh7 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh7 n SER 8 N 0.00 -3.40 -4.45 1.61 7.64 -1.26 -5.07 113.62 108.68 1wh7 n SER 8 Ca 0.00 0.76 -0.43 0.00 1.01 0.00 0.00 58.87 60.21 1wh7 n SER 8 Cb 0.00 3.24 -0.09 0.00 -1.01 0.00 0.00 64.21 66.34 1wh7 n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wh7 s ASN 9 N -2.25 6.12 -0.79 6.43 -0.87 -1.26 -5.02 114.94 117.31 1wh7 s ASN 9 Ca 0.00 -0.96 -0.26 0.00 -1.57 0.00 0.00 52.86 50.07 1wh7 s ASN 9 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 1wh7 s ASN 9 CO 0.00 -0.49 1.62 -2.16 -2.57 0.00 0.00 177.10 173.49 1wh7 s PRO 10 N 1.70 2.98 0.03 -0.60 0.04 -1.26 -4.97 135.00 132.92 1wh7 s PRO 10 Ca 0.05 -0.18 -0.00 0.00 0.04 0.00 0.00 61.00 60.91 1wh7 s PRO 10 Cb -0.20 -4.65 -0.04 0.00 0.04 0.00 0.00 34.50 29.65 1wh7 s PRO 10 CO 0.10 -2.57 0.14 -1.12 0.04 0.00 0.00 177.00 173.59 1wh7 s SER 11 N 6.11 6.03 0.08 6.66 0.01 -1.26 -5.03 113.70 126.30 1wh7 s SER 11 Ca 0.54 0.21 -0.34 0.00 1.31 0.00 0.00 55.95 57.67 1wh7 s SER 11 Cb -0.07 -1.80 -0.17 0.00 0.21 0.00 0.00 66.02 64.19 1wh7 s SER 11 CO 0.09 0.23 1.60 -1.28 0.41 0.00 0.00 173.24 174.28 1wh7 h SER 12 N 3.62 -1.05 0.00 2.44 0.87 -1.98 -3.35 113.55 114.09 1wh7 h SER 12 Ca -0.48 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.13 1wh7 h SER 12 Cb 1.17 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1wh7 h SER 12 CO 0.68 -0.61 -0.43 -1.28 -0.53 0.00 0.00 176.83 174.67 1wh7 h SER 13 N -0.95 0.00 0.00 6.23 0.87 -1.96 -3.51 113.55 114.23 1wh7 h SER 13 Ca -0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1wh7 h SER 13 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1wh7 h SER 13 CO 0.03 0.77 0.00 0.61 -0.53 0.00 0.00 176.83 177.71 1wh7 n GLY 14 N 1.64 0.51 0.21 5.77 0.00 -1.26 -4.89 105.19 107.17 1wh7 n GLY 14 Ca -0.08 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1wh7 n GLY 14 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1wh7 h GLY 15 N 0.00 -0.54 -1.17 -0.02 0.00 -1.96 -3.45 103.07 95.93 1wh7 h GLY 15 Ca 0.00 0.20 -0.50 0.00 0.00 0.00 0.00 47.33 47.03 1wh7 h GLY 15 CO 0.00 -0.20 0.31 -0.51 0.00 0.00 0.00 176.54 176.14 1wh7 s THR 16 N -3.92 3.13 0.20 4.70 -4.23 -1.26 -4.92 115.64 109.34 1wh7 s THR 16 Ca -0.08 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1wh7 s THR 16 Cb 0.01 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.88 1wh7 s THR 16 CO 0.23 -0.48 0.00 0.41 -0.54 0.00 0.00 174.62 174.24 1wh7 n THR 17 N -3.56 0.00 0.00 3.99 -1.04 -1.26 -4.77 114.28 107.64 1wh7 n THR 17 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 1wh7 n THR 17 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 1wh7 n THR 17 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wh7 n LYS 18 N -2.96 0.00 -2.72 -2.82 2.85 -1.26 -5.09 118.16 106.16 1wh7 n LYS 18 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1wh7 n LYS 18 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 1wh7 n LYS 18 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1wh7 s ARG 19 N -0.72 3.49 0.13 -1.58 0.52 -1.26 -5.02 118.95 114.52 1wh7 s ARG 19 Ca 0.00 0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1wh7 s ARG 19 Cb 0.00 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.44 1wh7 s ARG 19 CO 0.00 -1.47 0.27 -0.06 0.02 0.00 0.00 175.30 174.06 1wh7 s PHE 20 N 4.30 3.49 -0.35 -0.53 0.08 -1.26 -5.05 117.98 118.66 1wh7 s PHE 20 Ca 0.39 0.15 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1wh7 s PHE 20 Cb -0.09 -1.69 0.11 0.00 -0.57 0.00 0.00 43.02 40.78 1wh7 s PHE 20 CO 0.25 0.52 0.14 0.50 -0.10 0.00 0.00 175.22 176.53 1wh7 s ARG 21 N -3.11 0.89 -0.16 0.44 3.52 -1.26 -5.09 118.95 114.17 1wh7 s ARG 21 Ca 0.35 -1.38 -0.16 0.00 -0.13 0.00 0.00 55.73 54.41 1wh7 s ARG 21 Cb -0.11 -2.09 0.04 0.00 -1.56 0.00 0.00 34.95 31.23 1wh7 s ARG 21 CO 0.28 -1.05 0.45 0.95 -0.81 0.00 0.00 175.30 175.13 1wh7 s THR 22 N 1.21 0.00 -0.14 4.11 -4.23 -1.26 -5.15 115.64 110.19 1wh7 s THR 22 Ca 0.12 -0.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1wh7 s THR 22 Cb -0.20 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.03 1wh7 s THR 22 CO -0.16 -0.01 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.03 1wh7 s LYS 23 N 0.17 2.19 0.46 3.99 2.36 -1.26 -5.13 119.74 122.53 1wh7 s LYS 23 Ca -0.01 -0.52 0.03 0.00 -2.55 0.00 0.00 55.97 52.92 1wh7 s LYS 23 Cb -0.03 -2.00 -0.03 0.00 -1.05 0.00 0.00 37.83 34.72 1wh7 s LYS 23 CO 0.01 -0.20 0.04 -0.06 1.55 0.00 0.00 175.35 176.68 1wh7 s PHE 24 N 1.40 1.95 0.18 4.03 0.08 -1.26 -5.16 117.98 119.20 1wh7 s PHE 24 Ca 0.02 -0.99 0.07 0.00 0.12 0.00 0.00 56.93 56.15 1wh7 s PHE 24 Cb -0.13 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1wh7 s PHE 24 CO -0.08 0.12 0.06 -0.08 -0.10 0.00 0.00 175.22 175.13 1wh7 s THR 25 N -2.96 4.01 0.19 0.64 -1.32 -1.26 -4.99 115.64 109.95 1wh7 s THR 25 Ca 0.16 -1.32 -0.25 0.00 -1.21 0.00 0.00 61.69 59.07 1wh7 s THR 25 Cb 0.04 -3.04 0.06 0.00 -1.51 0.00 0.00 72.50 68.05 1wh7 s THR 25 CO 0.09 -0.13 1.55 0.00 -2.21 0.00 0.00 174.62 173.91 1wh7 h ALA 26 N 2.52 -0.25 -0.87 11.08 0.00 -2.01 0.30 119.26 130.03 1wh7 h ALA 26 Ca -0.47 0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wh7 h ALA 26 Cb 1.20 1.22 -0.12 0.00 0.00 0.00 0.00 17.79 20.10 1wh7 h ALA 26 CO 0.60 -0.82 -0.44 -1.91 0.00 0.00 0.00 179.25 176.67 1wh7 n GLU 27 N -5.34 -0.31 0.10 0.00 2.13 -1.26 0.66 120.64 116.61 1wh7 n GLU 27 Ca 0.05 1.32 -0.14 0.00 0.66 0.00 0.00 57.16 59.06 1wh7 n GLU 27 Cb 0.32 -1.96 -0.07 0.00 0.27 0.00 0.00 31.44 30.01 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wh7 h GLN 28 N 0.00 -0.60 -0.78 5.31 4.20 -0.84 1.50 115.11 123.91 1wh7 h GLN 28 Ca 0.21 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.13 1wh7 h GLN 28 Cb 0.42 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.23 1wh7 h GLN 28 CO -0.84 -0.40 0.24 0.87 -0.67 0.00 0.00 178.83 178.03 1wh7 h LYS 29 N -0.62 0.31 0.37 1.46 6.56 0.48 0.55 116.57 125.68 1wh7 h LYS 29 Ca 0.03 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.58 1wh7 h LYS 29 Cb 0.66 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1wh7 h LYS 29 CO -0.25 0.20 -0.18 0.93 -2.06 0.00 0.00 179.45 178.09 1wh7 h GLU 30 N 0.32 -0.48 -0.61 3.15 5.08 0.15 0.22 114.58 122.41 1wh7 h GLU 30 Ca 0.45 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.96 1wh7 h GLU 30 Cb 0.78 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.02 1wh7 h GLU 30 CO -0.51 -0.17 -0.18 0.87 -1.00 0.00 0.00 179.01 178.02 1wh7 h LYS 31 N -0.85 -0.03 0.07 2.33 6.56 0.31 -0.21 116.57 124.76 1wh7 h LYS 31 Ca -0.05 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1wh7 h LYS 31 Cb 0.54 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1wh7 h LYS 31 CO 0.08 -0.02 -0.04 0.52 -2.06 0.00 0.00 179.45 177.93 1wh7 h MET 32 N -0.03 -0.11 -0.92 3.15 2.86 0.08 1.28 114.93 121.23 1wh7 h MET 32 Ca 0.29 0.01 0.26 0.00 -2.06 0.00 0.00 59.70 58.19 1wh7 h MET 32 Cb 0.47 0.02 -0.16 0.00 0.06 0.00 0.00 31.60 32.00 1wh7 h MET 32 CO -0.64 -0.07 0.14 -0.07 1.06 0.00 0.00 176.91 177.32 1wh7 h LEU 33 N -0.11 -0.23 0.00 1.22 -0.00 0.79 0.77 115.31 117.74 1wh7 h LEU 33 Ca -0.01 0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 58.11 1wh7 h LEU 33 Cb 0.09 0.38 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1wh7 h LEU 33 CO 0.01 -0.27 -0.04 0.00 -0.00 0.00 0.00 178.44 178.14 1wh7 h ALA 34 N 1.88 0.00 -0.89 1.53 0.00 -0.76 -2.90 119.26 118.12 1wh7 h ALA 34 Ca 0.58 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.55 1wh7 h ALA 34 Cb 1.21 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.87 1wh7 h ALA 34 CO -0.79 0.03 -0.24 0.34 0.00 0.00 0.00 179.25 178.60 1wh7 n PHE 35 N -4.74 0.29 0.38 0.00 7.35 0.43 0.04 117.46 121.21 1wh7 n PHE 35 Ca -0.02 1.09 -0.17 0.00 -0.76 0.00 0.00 57.45 57.58 1wh7 n PHE 35 Cb 0.10 -1.00 -0.09 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 1.72 -0.96 -1.37 3.13 0.00 0.38 -0.15 119.26 122.02 1wh7 h ALA 36 Ca 0.42 -0.22 0.41 0.00 0.00 0.00 0.00 54.91 55.51 1wh7 h ALA 36 Cb 0.64 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 1wh7 h ALA 36 CO -0.91 -0.98 0.94 0.93 0.00 0.00 0.00 179.25 179.22 1wh7 h GLU 37 N -1.08 0.10 0.01 0.00 4.39 -0.17 1.68 114.58 119.51 1wh7 h GLU 37 Ca -0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1wh7 h GLU 37 Cb 0.76 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1wh7 h GLU 37 CO 0.16 0.06 -0.00 0.00 -1.16 0.00 0.00 179.01 178.07 1wh7 h ARG 38 N 0.10 -0.01 0.00 2.33 3.08 0.13 -3.07 114.38 116.94 1wh7 h ARG 38 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.78 1wh7 h ARG 38 Cb 2.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.59 1wh7 h ARG 38 CO -0.20 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 180.69 1wh7 n LEU 39 N -4.74 0.00 -0.35 3.04 4.77 0.15 -4.84 117.00 115.03 1wh7 n LEU 39 Ca -0.09 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 1wh7 n LEU 39 Cb 0.36 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1wh7 n LEU 39 CO 0.33 -0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 176.87 1wh7 n GLY 40 N 0.42 0.42 2.29 -0.72 0.00 0.52 -2.74 105.19 105.38 1wh7 n GLY 40 Ca 0.10 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.50 -0.59 -3.81 1.61 7.02 0.68 -4.94 117.44 113.91 1wh7 n TRP 41 Ca -0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.32 1wh7 n TRP 41 Cb 0.34 -2.95 -0.11 0.00 -2.42 0.00 0.00 31.31 26.17 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 -4.52 0.33 -0.31 -0.99 1.70 -1.11 -4.79 118.95 109.27 1wh7 s ARG 42 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.37 1wh7 s ARG 42 Cb 0.00 0.15 0.07 0.00 -0.57 0.00 0.00 34.95 34.60 1wh7 s ARG 42 CO 0.00 -0.06 0.01 0.42 -1.08 0.00 0.00 175.30 174.59 1wh7 s ILE 43 N -0.31 2.73 0.09 4.99 1.01 -1.26 -4.67 121.20 123.78 1wh7 s ILE 43 Ca -0.04 -1.67 -0.01 0.00 0.00 0.00 0.00 60.65 58.93 1wh7 s ILE 43 Cb -0.03 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1wh7 s ILE 43 CO 0.01 -0.24 0.12 0.00 0.00 0.00 0.00 174.94 174.83 1wh7 n GLN 44 N 4.52 0.18 -0.08 2.79 6.02 -1.26 -4.87 117.38 124.67 1wh7 n GLN 44 Ca -0.09 -0.24 -0.11 0.00 -0.01 0.00 0.00 57.00 56.55 1wh7 n GLN 44 Cb 0.43 -0.11 -0.04 0.00 1.02 0.00 0.00 30.24 31.54 1wh7 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1wh7 h LYS 45 N 0.00 0.41 -0.55 -1.09 3.64 -2.00 -2.13 116.57 114.84 1wh7 h LYS 45 Ca -0.04 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 1wh7 h LYS 45 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1wh7 h LYS 45 CO 0.03 0.50 0.03 1.12 -2.27 0.00 0.00 179.45 178.86 1wh7 h HIS 46 N 0.24 1.04 -0.22 1.91 2.07 -2.03 -1.85 115.15 116.30 1wh7 h HIS 46 Ca 0.08 -0.17 0.06 0.00 -2.85 0.00 0.00 60.37 57.50 1wh7 h HIS 46 Cb 0.27 -0.27 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1wh7 h HIS 46 CO 0.01 0.93 0.24 -0.44 -3.07 0.00 0.00 177.93 175.60 1wh7 h ASP 47 N 0.84 0.00 -1.34 3.10 5.19 -1.86 0.10 116.42 122.45 1wh7 h ASP 47 Ca 0.16 0.00 0.39 0.00 -0.62 0.00 0.00 57.03 56.96 1wh7 h ASP 47 Cb 0.50 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.95 1wh7 h ASP 47 CO 0.02 0.00 0.96 -0.78 -3.12 0.00 0.00 179.24 176.32 1wh7 h ASP 48 N 0.00 0.04 0.00 6.45 3.58 -0.65 0.64 116.42 126.47 1wh7 h ASP 48 Ca 0.11 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1wh7 h ASP 48 Cb 0.58 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1wh7 h ASP 48 CO -0.00 -0.00 -0.15 0.58 -2.88 0.00 0.00 179.24 176.79 1wh7 h VAL 49 N 0.03 1.20 -1.00 2.25 2.07 -1.14 -2.97 116.25 116.69 1wh7 h VAL 49 Ca 0.65 -1.95 0.24 0.00 0.82 0.00 0.00 66.70 66.47 1wh7 h VAL 49 Cb 2.53 2.31 -0.09 0.00 -1.52 0.00 0.00 31.29 34.53 1wh7 h VAL 49 CO -0.04 0.41 0.65 0.00 0.02 0.00 0.00 177.57 178.60 1wh7 h ALA 50 N -0.34 2.18 -0.34 1.67 0.00 -0.59 0.58 119.26 122.43 1wh7 h ALA 50 Ca -0.04 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1wh7 h ALA 50 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1wh7 h ALA 50 CO -0.02 -0.55 -0.01 0.28 0.00 0.00 0.00 179.25 178.95 1wh7 h VAL 51 N 0.43 1.26 -0.16 0.00 2.07 -0.00 0.26 116.25 120.11 1wh7 h VAL 51 Ca 0.56 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1wh7 h VAL 51 Cb 1.36 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1wh7 h VAL 51 CO -0.27 0.32 -0.21 -0.33 0.02 0.00 0.00 177.57 177.10 1wh7 h GLU 52 N 0.40 0.27 0.00 1.57 4.39 0.09 0.20 114.58 121.51 1wh7 h GLU 52 Ca 0.09 -0.08 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 1wh7 h GLU 52 Cb 0.46 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1wh7 h GLU 52 CO 0.02 0.48 -0.87 1.96 -1.16 0.00 0.00 179.01 179.44 1wh7 h GLN 53 N 0.25 0.15 0.04 2.33 4.20 0.12 -2.27 115.11 119.93 1wh7 h GLN 53 Ca 0.04 -0.16 -0.27 0.00 0.06 0.00 0.00 58.65 58.32 1wh7 h GLN 53 Cb 0.52 0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.37 1wh7 h GLN 53 CO 0.04 0.93 -1.09 0.35 -0.67 0.00 0.00 178.83 178.38 1wh7 h PHE 54 N 0.08 0.91 -0.46 2.96 3.04 0.04 -3.25 116.94 120.26 1wh7 h PHE 54 Ca -0.04 -0.52 -0.05 0.00 3.98 0.00 0.00 57.97 61.34 1wh7 h PHE 54 Cb 1.50 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.90 1wh7 h PHE 54 CO 0.02 1.36 0.08 0.00 -2.02 0.00 0.00 178.31 177.75 1wh7 h ALA 56 N 0.95 2.07 -0.11 0.00 0.00 -1.44 1.51 119.26 122.25 1wh7 h ALA 56 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wh7 h ALA 56 Cb 0.38 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wh7 h ALA 56 CO 0.01 -0.76 0.00 -1.91 0.00 0.00 0.00 179.25 176.59 1wh7 n GLU 57 N -3.44 0.00 0.20 0.00 2.13 -0.56 -4.73 120.64 114.25 1wh7 n GLU 57 Ca 0.07 0.12 -0.14 0.00 0.66 0.00 0.00 57.16 57.88 1wh7 n GLU 57 Cb 0.71 -0.61 -0.08 0.00 0.27 0.00 0.00 31.44 31.73 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1wh7 h THR 58 N 0.00 0.57 0.00 6.31 1.35 -0.59 -3.48 112.91 117.06 1wh7 h THR 58 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wh7 h THR 58 Cb 0.00 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1wh7 h THR 58 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1wh7 n GLY 59 N -0.52 1.18 3.77 5.82 0.00 0.51 -5.02 105.19 110.94 1wh7 n GLY 59 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh7 s VAL 60 N -2.00 3.28 0.05 1.61 1.01 -1.26 -4.99 120.40 118.10 1wh7 s VAL 60 Ca 0.00 1.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.88 1wh7 s VAL 60 Cb 0.00 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1wh7 s VAL 60 CO 0.00 0.18 0.82 -0.13 0.00 0.00 0.00 175.10 175.97 1wh7 s ARG 61 N -1.96 4.54 0.28 2.72 1.81 -1.26 -4.50 118.95 120.58 1wh7 s ARG 61 Ca 0.52 1.16 -0.03 0.00 -1.72 0.00 0.00 55.73 55.66 1wh7 s ARG 61 Cb -0.31 -3.38 0.57 0.00 -0.45 0.00 0.00 34.95 31.38 1wh7 s ARG 61 CO 0.40 0.23 1.49 -2.13 -0.68 0.00 0.00 175.30 174.61 1wh7 n ARG 62 N 2.95 -0.08 -0.22 3.54 0.63 -1.26 0.23 116.66 122.45 1wh7 n ARG 62 Ca -0.01 1.47 -0.07 0.00 -0.92 0.00 0.00 57.85 58.32 1wh7 n ARG 62 Cb 0.50 -2.25 0.03 0.00 0.45 0.00 0.00 32.46 31.19 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 1wh7 h GLN 63 N 0.00 0.92 -0.11 -0.14 3.07 -1.98 0.68 115.11 117.56 1wh7 h GLN 63 Ca 0.51 -0.16 -0.03 0.00 0.09 0.00 0.00 58.65 59.06 1wh7 h GLN 63 Cb 0.92 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.33 1wh7 h GLN 63 CO -0.95 0.78 -0.04 0.28 0.09 0.00 0.00 178.83 178.99 1wh7 h VAL 64 N 0.86 1.31 -0.38 1.86 2.07 0.18 0.37 116.25 122.52 1wh7 h VAL 64 Ca 0.21 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1wh7 h VAL 64 Cb 0.20 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1wh7 h VAL 64 CO -0.02 0.29 0.25 0.25 0.02 0.00 0.00 177.57 178.36 1wh7 h LEU 65 N -0.13 0.44 0.55 2.57 6.46 0.31 1.23 115.31 126.74 1wh7 h LEU 65 Ca 0.03 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1wh7 h LEU 65 Cb 0.48 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1wh7 h LEU 65 CO 0.01 0.32 -0.26 0.50 -0.62 0.00 0.00 178.44 178.39 1wh7 h LYS 66 N 0.51 -0.71 -0.00 1.25 3.11 0.45 0.40 116.57 121.58 1wh7 h LYS 66 Ca 0.14 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.03 1wh7 h LYS 66 Cb -0.06 0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1wh7 h LYS 66 CO -0.03 -0.44 0.00 0.82 -2.81 0.00 0.00 179.45 176.99 1wh7 h ILE 67 N -0.83 0.75 -0.22 2.00 2.04 -0.06 0.28 117.51 121.47 1wh7 h ILE 67 Ca -0.08 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1wh7 h ILE 67 Cb 0.60 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1wh7 h ILE 67 CO 0.12 0.00 -0.51 -0.25 0.00 0.00 0.00 178.15 177.52 1wh7 h TRP 68 N 0.00 0.93 -0.21 1.37 7.01 0.22 0.26 115.95 125.53 1wh7 h TRP 68 Ca 0.00 -0.35 -0.06 0.00 2.11 0.00 0.00 58.89 60.60 1wh7 h TRP 68 Cb 0.00 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1wh7 h TRP 68 CO 0.00 1.15 -0.09 0.52 -2.79 0.00 0.00 178.44 177.23 1wh7 h MET 69 N 0.45 0.42 -0.69 2.65 2.86 0.19 -1.87 114.93 118.94 1wh7 h MET 69 Ca -0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 1wh7 h MET 69 Cb 1.12 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1wh7 h MET 69 CO 0.11 0.70 0.23 1.25 1.06 0.00 0.00 176.91 180.26 1wh7 h HIS 70 N 0.13 1.08 0.00 -0.22 -0.00 -0.56 0.90 115.15 116.48 1wh7 h HIS 70 Ca 0.05 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.37 60.29 1wh7 h HIS 70 Cb 0.57 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.65 1wh7 h HIS 70 CO 0.06 0.85 -0.16 -0.91 -0.00 0.00 0.00 177.93 177.77 1wh7 h ASN 71 N 1.02 0.00 0.00 3.26 2.35 -0.83 -0.16 115.58 121.23 1wh7 h ASN 71 Ca 0.23 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.91 1wh7 h ASN 71 Cb 0.27 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1wh7 h ASN 71 CO -0.01 0.16 -0.54 0.78 -1.65 0.00 0.00 177.43 176.18 1wh7 h ASN 72 N 0.00 0.00 -1.00 5.81 2.35 -0.34 -3.31 115.58 119.09 1wh7 h ASN 72 Ca -0.00 -0.33 0.27 0.00 -0.55 0.00 0.00 56.30 55.68 1wh7 h ASN 72 Cb 0.37 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.60 1wh7 h ASN 72 CO 0.02 0.97 0.58 0.07 -1.65 0.00 0.00 177.43 177.42 1wh7 h LYS 73 N -1.00 0.50 -3.70 0.81 2.10 0.85 -3.36 116.57 112.77 1wh7 h LYS 73 Ca -0.10 -0.03 -0.42 0.00 -2.00 0.00 0.00 60.65 58.10 1wh7 h LYS 73 Cb 0.73 -0.11 -0.37 0.00 -0.90 0.00 0.00 32.23 31.57 1wh7 h LYS 73 CO -0.06 0.33 -0.76 -0.80 -2.00 0.00 0.00 179.45 176.15 1wh7 s ASN 74 N -5.12 1.36 0.00 7.07 0.01 -0.08 -5.06 114.94 113.12 1wh7 s ASN 74 Ca -0.11 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1wh7 s ASN 74 Cb 0.28 -0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.55 1wh7 s ASN 74 CO 0.79 -0.18 0.00 -0.24 -1.51 0.00 0.00 177.10 175.97 1wh7 n SER 75 N 4.95 0.00 -3.99 -1.22 2.88 -1.24 -4.16 113.62 110.83 1wh7 n SER 75 Ca -0.10 0.16 -0.54 0.00 -1.33 0.00 0.00 58.87 57.06 1wh7 n SER 75 Cb 0.50 -0.38 -0.08 0.00 -0.75 0.00 0.00 64.21 63.51 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 76 N 1.91 -0.10 0.08 0.46 0.00 -1.26 -4.87 105.19 101.41 1wh7 n GLY 76 Ca 0.00 0.74 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 1wh7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 h PRO 77 N 3.21 -0.05 -2.76 1.61 0.13 -2.01 -3.50 132.00 128.63 1wh7 h PRO 77 Ca -0.42 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.02 1wh7 h PRO 77 Cb 1.23 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.25 1wh7 h PRO 77 CO 0.67 0.61 -0.72 0.45 -0.23 0.00 0.00 178.00 178.78 1wh7 n SER 78 N -4.77 -7.15 0.00 1.44 2.88 -1.26 -5.07 113.62 99.69 1wh7 n SER 78 Ca -0.09 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1wh7 n SER 78 Cb 0.33 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 59.96 1wh7 n SER 78 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wh7 n SER 79 N -3.96 0.00 0.00 -3.46 3.41 -1.26 -5.28 113.62 103.06 1wh7 n SER 79 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.67 1wh7 n SER 79 Cb 0.55 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 65.00 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49