#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 -7.97 -3.55 1.61 7.64 -1.26 -5.06 113.62 105.02 1wh7 n SER 2 Ca 0.00 1.23 -0.01 0.00 1.01 0.00 0.00 58.87 61.10 1wh7 n SER 2 Cb 0.00 -5.32 -0.05 0.00 -1.01 0.00 0.00 64.21 57.83 1wh7 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh7 s SER 3 N -1.84 -0.84 0.00 6.43 0.01 -1.26 -5.09 113.70 111.12 1wh7 s SER 3 Ca 0.05 1.19 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1wh7 s SER 3 Cb -0.02 1.85 0.00 0.00 0.21 0.00 0.00 66.02 68.06 1wh7 s SER 3 CO 0.78 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.87 1wh7 n GLY 4 N 4.97 -1.40 2.68 3.44 0.00 -1.26 -5.09 105.19 108.53 1wh7 n GLY 4 Ca -0.12 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 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 -7.28 -4.51 1.61 2.88 -1.26 -5.05 113.62 100.01 1wh7 n SER 5 Ca 0.00 0.56 -0.24 0.00 -1.33 0.00 0.00 58.87 57.86 1wh7 n SER 5 Cb 0.00 -4.89 -0.10 0.00 -0.75 0.00 0.00 64.21 58.47 1wh7 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh7 s SER 6 N -2.32 3.76 0.22 -3.46 1.04 -1.26 -5.15 113.70 106.53 1wh7 s SER 6 Ca 0.20 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1wh7 s SER 6 Cb -0.06 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.68 1wh7 s SER 6 CO 0.68 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.51 1wh7 n GLY 7 N -0.69 1.22 3.62 7.32 0.00 -1.26 -5.14 105.19 110.26 1wh7 n GLY 7 Ca -0.05 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.92 1wh7 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh7 s SER 8 N -1.00 -0.17 -0.15 1.61 0.15 -1.26 -5.16 113.70 107.73 1wh7 s SER 8 Ca 0.00 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.49 1wh7 s SER 8 Cb 0.00 0.27 -0.03 0.00 -1.71 0.00 0.00 66.02 64.55 1wh7 s SER 8 CO 0.00 -0.47 -0.02 0.20 1.20 0.00 0.00 173.24 174.15 1wh7 s ASN 9 N -2.64 4.97 0.96 5.45 -0.87 -1.26 -5.11 114.94 116.45 1wh7 s ASN 9 Ca 0.10 -0.06 -0.14 0.00 -1.57 0.00 0.00 52.86 51.20 1wh7 s ASN 9 Cb 0.01 -1.74 0.17 0.00 -0.02 0.00 0.00 41.25 39.66 1wh7 s ASN 9 CO -0.04 0.21 1.16 -2.16 -2.57 0.00 0.00 177.10 173.70 1wh7 s PRO 10 N 0.15 0.71 0.60 -0.60 0.04 -1.26 -5.02 135.00 129.63 1wh7 s PRO 10 Ca -0.00 0.12 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 1wh7 s PRO 10 Cb -0.13 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1wh7 s PRO 10 CO 0.02 -2.45 1.10 0.45 0.04 0.00 0.00 177.00 176.16 1wh7 s SER 11 N -4.16 5.48 -0.12 6.66 0.15 -1.26 -5.00 113.70 115.46 1wh7 s SER 11 Ca 0.66 2.01 -0.05 0.00 0.70 0.00 0.00 55.95 59.27 1wh7 s SER 11 Cb -0.12 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 1wh7 s SER 11 CO 0.54 -1.38 0.04 0.28 1.20 0.00 0.00 173.24 173.92 1wh7 h SER 12 N 0.53 0.00 -4.30 5.45 0.02 -2.04 -3.50 113.55 109.71 1wh7 h SER 12 Ca -0.48 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1wh7 h SER 12 Cb 1.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1wh7 h SER 12 CO 0.56 0.63 -0.75 -0.24 -1.14 0.00 0.00 176.83 175.89 1wh7 n SER 13 N -4.72 -4.10 -2.05 3.07 2.88 -1.26 -4.97 113.62 102.48 1wh7 n SER 13 Ca -0.04 0.88 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1wh7 n SER 13 Cb 0.12 -3.70 0.00 0.00 -0.75 0.00 0.00 64.21 59.89 1wh7 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 14 N 0.66 -0.02 3.84 0.46 0.00 -1.26 -4.68 105.19 104.19 1wh7 n GLY 14 Ca -0.09 -1.78 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1wh7 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh7 s GLY 15 N -1.60 -0.01 0.31 -0.02 0.00 -1.18 -4.80 107.32 100.02 1wh7 s GLY 15 Ca 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 44.72 44.46 1wh7 s GLY 15 CO 0.00 -0.06 0.02 -0.51 0.00 0.00 0.00 173.10 172.56 1wh7 s THR 16 N -3.48 2.97 -0.30 0.90 -4.23 -1.26 -4.46 115.64 105.79 1wh7 s THR 16 Ca 0.12 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1wh7 s THR 16 Cb -0.05 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.16 1wh7 s THR 16 CO 0.07 -0.27 0.88 -0.89 -0.54 0.00 0.00 174.62 173.88 1wh7 s THR 17 N -2.43 -0.52 0.09 3.99 2.01 -1.26 -5.01 115.64 112.51 1wh7 s THR 17 Ca 0.34 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.34 1wh7 s THR 17 Cb -0.03 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 71.99 1wh7 s THR 17 CO 0.20 0.00 0.00 0.29 -0.69 0.00 0.00 174.62 174.42 1wh7 n LYS 18 N 5.14 -0.79 -2.53 4.92 5.02 -1.26 -4.95 118.16 123.72 1wh7 n LYS 18 Ca 0.08 0.52 -0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1wh7 n LYS 18 Cb 0.57 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 1wh7 n LYS 18 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wh7 n ARG 19 N -1.83 -0.90 -3.97 1.97 5.12 -1.26 -5.04 116.66 110.75 1wh7 n ARG 19 Ca 0.00 1.18 -0.29 0.00 -1.93 0.00 0.00 57.85 56.81 1wh7 n ARG 19 Cb 0.18 -4.33 -0.16 0.00 -1.16 0.00 0.00 32.46 26.98 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1wh7 s PHE 20 N -2.97 2.07 -0.07 -1.55 -0.71 -1.26 -4.92 117.98 108.57 1wh7 s PHE 20 Ca 0.01 -1.27 0.03 0.00 -1.04 0.00 0.00 56.93 54.66 1wh7 s PHE 20 Cb -0.00 -1.51 0.09 0.00 -1.21 0.00 0.00 43.02 40.39 1wh7 s PHE 20 CO 0.50 -0.67 0.71 -2.13 -1.34 0.00 0.00 175.22 172.29 1wh7 n ARG 21 N 4.78 0.29 -4.38 1.99 0.63 -1.26 -5.15 116.66 113.56 1wh7 n ARG 21 Ca -0.14 -0.26 -0.20 0.00 -0.92 0.00 0.00 57.85 56.33 1wh7 n ARG 21 Cb 0.48 0.10 -0.14 0.00 0.45 0.00 0.00 32.46 33.36 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wh7 s THR 22 N 0.03 0.97 -0.13 5.15 -4.23 -1.26 -5.13 115.64 111.04 1wh7 s THR 22 Ca 0.02 -0.79 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 1wh7 s THR 22 Cb 0.09 -0.87 0.02 0.00 1.34 0.00 0.00 72.50 73.09 1wh7 s THR 22 CO -0.03 0.08 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.24 1wh7 s LYS 23 N -0.81 2.19 0.34 3.99 2.20 -1.26 -5.12 119.74 121.26 1wh7 s LYS 23 Ca 0.02 -0.53 0.04 0.00 -0.36 0.00 0.00 55.97 55.14 1wh7 s LYS 23 Cb -0.07 -1.97 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 1wh7 s LYS 23 CO 0.01 -0.18 0.18 -0.06 -0.36 0.00 0.00 175.35 174.94 1wh7 s PHE 24 N 1.33 1.68 0.16 4.03 0.08 -1.26 -5.17 117.98 118.83 1wh7 s PHE 24 Ca 0.01 -1.42 0.09 0.00 0.12 0.00 0.00 56.93 55.73 1wh7 s PHE 24 Cb -0.14 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.37 1wh7 s PHE 24 CO -0.07 -0.55 -0.13 -0.08 -0.10 0.00 0.00 175.22 174.29 1wh7 s THR 25 N -3.47 3.04 0.23 0.64 -1.32 -1.26 -4.99 115.64 108.50 1wh7 s THR 25 Ca 0.34 -1.63 -0.18 0.00 -1.21 0.00 0.00 61.69 59.01 1wh7 s THR 25 Cb 0.04 -2.47 0.23 0.00 -1.51 0.00 0.00 72.50 68.79 1wh7 s THR 25 CO 0.19 -0.04 1.55 0.00 -2.21 0.00 0.00 174.62 174.11 1wh7 h ALA 26 N 3.18 0.14 -0.68 11.08 0.00 -2.02 0.27 119.26 131.22 1wh7 h ALA 26 Ca -0.48 0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1wh7 h ALA 26 Cb 1.19 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.89 1wh7 h ALA 26 CO 0.51 -0.63 -0.55 1.49 0.00 0.00 0.00 179.25 180.07 1wh7 h GLU 27 N -0.01 -0.18 -0.38 0.00 4.57 -1.97 1.51 114.58 118.11 1wh7 h GLU 27 Ca 0.34 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.60 1wh7 h GLU 27 Cb 0.59 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1wh7 h GLU 27 CO -0.97 -0.12 -0.00 1.96 -1.18 0.00 0.00 179.01 178.69 1wh7 h GLN 28 N -0.19 0.10 -0.11 1.92 4.20 -0.97 1.47 115.11 121.53 1wh7 h GLN 28 Ca 0.11 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.85 1wh7 h GLN 28 Cb 0.48 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1wh7 h GLN 28 CO -0.74 0.06 -0.09 0.87 -0.67 0.00 0.00 178.83 178.26 1wh7 h LYS 29 N 0.10 -0.11 -0.22 1.46 6.56 0.17 0.70 116.57 125.23 1wh7 h LYS 29 Ca 0.19 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 1wh7 h LYS 29 Cb 0.26 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.94 1wh7 h LYS 29 CO -0.32 -0.07 0.10 0.93 -2.06 0.00 0.00 179.45 178.04 1wh7 h GLU 30 N -0.11 0.32 -0.36 3.15 5.08 0.29 0.38 114.58 123.33 1wh7 h GLU 30 Ca 0.07 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1wh7 h GLU 30 Cb 0.21 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1wh7 h GLU 30 CO -0.17 0.34 0.09 0.87 -1.00 0.00 0.00 179.01 179.14 1wh7 h LYS 31 N 0.22 0.22 -0.30 2.33 1.57 0.25 -1.55 116.57 119.31 1wh7 h LYS 31 Ca 0.08 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1wh7 h LYS 31 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1wh7 h LYS 31 CO -0.01 0.15 0.10 0.52 -0.57 0.00 0.00 179.45 179.64 1wh7 h MET 32 N 0.23 0.46 -0.71 3.15 2.86 0.68 0.80 114.93 122.39 1wh7 h MET 32 Ca 0.17 -0.09 0.16 0.00 -2.06 0.00 0.00 59.70 57.87 1wh7 h MET 32 Cb 0.18 -0.07 -0.12 0.00 0.06 0.00 0.00 31.60 31.65 1wh7 h MET 32 CO -0.20 0.50 0.02 -0.07 1.06 0.00 0.00 176.91 178.21 1wh7 h LEU 33 N 0.33 -0.30 0.13 1.22 -0.00 0.34 0.31 115.31 117.35 1wh7 h LEU 33 Ca 0.10 0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 58.15 1wh7 h LEU 33 Cb 0.22 0.31 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1wh7 h LEU 33 CO -0.00 -0.15 -0.06 0.00 -0.00 0.00 0.00 178.44 178.22 1wh7 h ALA 34 N 1.65 -0.18 -0.83 1.53 0.00 -1.05 -2.89 119.26 117.50 1wh7 h ALA 34 Ca 0.38 -0.17 0.12 0.00 0.00 0.00 0.00 54.91 55.25 1wh7 h ALA 34 Cb 0.66 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 1wh7 h ALA 34 CO -0.61 -0.20 -0.34 0.34 0.00 0.00 0.00 179.25 178.44 1wh7 n PHE 35 N -4.87 -0.01 0.34 0.00 7.35 0.27 -0.45 117.46 120.10 1wh7 n PHE 35 Ca -0.05 1.03 -0.15 0.00 -0.76 0.00 0.00 57.45 57.51 1wh7 n PHE 35 Cb 0.20 -0.79 -0.08 0.00 0.35 0.00 0.00 39.48 39.16 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 1.08 -1.20 -1.72 3.13 0.00 -0.52 -0.94 119.26 119.08 1wh7 h ALA 36 Ca 0.27 -0.20 0.50 0.00 0.00 0.00 0.00 54.91 55.49 1wh7 h ALA 36 Cb 0.48 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1wh7 h ALA 36 CO -0.82 -1.16 1.36 0.39 0.00 0.00 0.00 179.25 179.02 1wh7 n GLU 37 N -4.76 0.00 -0.06 0.00 -0.58 0.41 0.22 120.64 115.87 1wh7 n GLU 37 Ca -0.12 1.05 -0.14 0.00 -0.42 0.00 0.00 57.16 57.54 1wh7 n GLU 37 Cb 0.39 -2.47 -0.12 0.00 -0.57 0.00 0.00 31.44 28.66 1wh7 n GLU 37 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wh7 h ARG 38 N 0.00 0.01 -0.09 3.49 3.08 0.28 -3.21 114.38 117.94 1wh7 h ARG 38 Ca 0.82 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.86 1wh7 h ARG 38 Cb 3.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.58 1wh7 h ARG 38 CO -0.01 0.90 0.00 1.28 -1.07 0.00 0.00 179.97 181.07 1wh7 n LEU 39 N -4.65 0.65 -1.84 3.04 4.77 0.49 -4.86 117.00 114.60 1wh7 n LEU 39 Ca -0.10 -0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.42 1wh7 n LEU 39 Cb 0.44 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1wh7 n LEU 39 CO 0.34 0.15 -0.21 0.61 -1.33 0.00 0.00 177.39 176.95 1wh7 n GLY 40 N 0.83 -0.13 2.44 -0.72 0.00 0.59 -0.73 105.19 107.47 1wh7 n GLY 40 Ca 0.10 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.88 0.00 -4.29 1.61 7.02 -0.19 -4.92 117.44 112.79 1wh7 n TRP 41 Ca -0.19 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.07 1wh7 n TRP 41 Cb 0.64 -2.13 -0.13 0.00 -2.42 0.00 0.00 31.31 27.27 1wh7 n TRP 41 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1wh7 s ARG 42 N -2.69 1.03 -0.10 -0.99 3.52 0.09 -4.67 118.95 115.14 1wh7 s ARG 42 Ca 0.00 -1.03 0.02 0.00 -0.13 0.00 0.00 55.73 54.59 1wh7 s ARG 42 Cb 0.00 -1.17 0.01 0.00 -1.56 0.00 0.00 34.95 32.24 1wh7 s ARG 42 CO 0.00 0.27 -0.16 0.42 -0.81 0.00 0.00 175.30 175.02 1wh7 s ILE 43 N -1.13 1.53 0.13 4.11 1.01 -1.26 -4.59 121.20 120.99 1wh7 s ILE 43 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1wh7 s ILE 43 Cb -0.10 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.00 1wh7 s ILE 43 CO 0.03 0.45 0.06 0.00 0.00 0.00 0.00 174.94 175.47 1wh7 n GLN 44 N 4.07 1.46 0.28 2.79 6.02 -1.26 -4.95 117.38 125.80 1wh7 n GLN 44 Ca -0.20 -0.87 0.18 0.00 -0.01 0.00 0.00 57.00 56.10 1wh7 n GLN 44 Cb 0.51 0.16 0.73 0.00 1.02 0.00 0.00 30.24 32.66 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 0.00 0.00 -1.09 -0.00 -2.00 -0.80 116.57 112.68 1wh7 h LYS 45 Ca -0.09 0.00 -0.25 0.00 -0.00 0.00 0.00 60.65 60.31 1wh7 h LYS 45 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.50 1wh7 h LYS 45 CO 0.15 0.00 -1.39 1.12 -0.00 0.00 0.00 179.45 179.34 1wh7 h HIS 46 N 0.00 0.00 0.00 0.07 2.07 -2.02 -3.25 115.15 112.01 1wh7 h HIS 46 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1wh7 h HIS 46 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 1wh7 h HIS 46 CO 0.00 0.96 -0.18 -0.25 -3.07 0.00 0.00 177.93 175.39 1wh7 n ASP 47 N -3.16 0.65 0.13 3.10 9.92 -0.81 -3.45 116.55 122.93 1wh7 n ASP 47 Ca -0.09 0.41 0.19 0.00 -0.53 0.00 0.00 54.79 54.77 1wh7 n ASP 47 Cb 0.99 -0.46 0.74 0.00 -0.64 0.00 0.00 41.12 41.75 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wh7 h ASP 48 N 0.00 0.00 0.00 -2.24 1.82 -1.21 0.69 116.42 115.48 1wh7 h ASP 48 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 1wh7 h ASP 48 Cb 0.69 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 1wh7 h ASP 48 CO 0.00 0.00 -0.96 0.58 -1.61 0.00 0.00 179.24 177.25 1wh7 h VAL 49 N 0.00 0.80 -0.61 2.25 2.07 -1.78 -3.14 116.25 115.83 1wh7 h VAL 49 Ca 0.17 -1.93 0.18 0.00 0.82 0.00 0.00 66.70 65.93 1wh7 h VAL 49 Cb 1.08 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1wh7 h VAL 49 CO -0.00 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.30 1wh7 h ALA 50 N -0.56 2.57 -0.20 1.67 0.00 -1.29 0.73 119.26 122.18 1wh7 h ALA 50 Ca -0.24 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1wh7 h ALA 50 Cb 1.08 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.92 1wh7 h ALA 50 CO -0.14 -0.75 -0.70 0.28 0.00 0.00 0.00 179.25 177.94 1wh7 h VAL 51 N 0.01 1.28 -0.12 0.00 2.07 0.19 0.40 116.25 120.07 1wh7 h VAL 51 Ca 0.29 -1.89 -0.17 0.00 0.82 0.00 0.00 66.70 65.75 1wh7 h VAL 51 Cb 1.16 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1wh7 h VAL 51 CO -0.01 0.61 -0.64 1.05 0.02 0.00 0.00 177.57 178.60 1wh7 h GLU 52 N 0.59 0.46 -0.17 1.57 -0.00 -0.20 0.85 114.58 117.66 1wh7 h GLU 52 Ca -0.03 -0.33 -0.18 0.00 -0.00 0.00 0.00 59.36 58.82 1wh7 h GLU 52 Cb 1.32 0.05 -0.00 0.00 -0.00 0.00 0.00 28.75 30.12 1wh7 h GLU 52 CO 0.15 0.95 -0.64 1.96 -0.00 0.00 0.00 179.01 181.43 1wh7 h GLN 53 N 0.33 0.62 0.05 1.06 4.20 0.26 -2.85 115.11 118.78 1wh7 h GLN 53 Ca -0.01 -0.44 -0.09 0.00 0.06 0.00 0.00 58.65 58.17 1wh7 h GLN 53 Cb 1.19 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1wh7 h GLN 53 CO 0.11 1.06 -0.43 0.35 -0.67 0.00 0.00 178.83 179.26 1wh7 h PHE 54 N 0.45 0.18 -0.67 2.96 3.04 -0.85 -2.98 116.94 119.08 1wh7 h PHE 54 Ca -0.01 -0.13 0.19 0.00 3.98 0.00 0.00 57.97 62.00 1wh7 h PHE 54 Cb 1.22 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.69 1wh7 h PHE 54 CO 0.06 1.16 0.64 0.00 -2.02 0.00 0.00 178.31 178.15 1wh7 h ALA 56 N 1.34 -0.28 -0.19 0.00 0.00 -1.53 0.56 119.26 119.15 1wh7 h ALA 56 Ca 0.32 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1wh7 h ALA 56 Cb 1.60 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1wh7 h ALA 56 CO -0.00 -0.26 -0.36 0.93 0.00 0.00 0.00 179.25 179.55 1wh7 h GLU 57 N -0.90 -0.30 0.07 0.00 5.08 -0.90 -2.74 114.58 114.89 1wh7 h GLU 57 Ca -0.03 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1wh7 h GLU 57 Cb 0.19 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1wh7 h GLU 57 CO 0.04 -0.20 -0.03 1.79 -1.00 0.00 0.00 179.01 179.61 1wh7 h THR 58 N -0.31 1.13 0.00 1.13 1.35 -1.05 -3.47 112.91 111.68 1wh7 h THR 58 Ca 0.04 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 1wh7 h THR 58 Cb 0.42 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1wh7 h THR 58 CO -0.35 0.17 0.00 0.61 -0.25 0.00 0.00 175.52 175.70 1wh7 n GLY 59 N -0.31 0.78 3.77 5.82 0.00 0.19 -4.97 105.19 110.47 1wh7 n GLY 59 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 3.32 0.54 1.61 1.01 -0.96 -4.89 120.40 119.04 1wh7 s VAL 60 Ca 0.00 1.08 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 1wh7 s VAL 60 Cb 0.00 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1wh7 s VAL 60 CO 0.00 0.07 1.00 -0.13 0.00 0.00 0.00 175.10 176.04 1wh7 s ARG 61 N -2.36 3.86 0.21 2.72 0.52 -1.26 -4.26 118.95 118.37 1wh7 s ARG 61 Ca 0.57 0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 56.59 1wh7 s ARG 61 Cb -0.28 -2.12 0.18 0.00 0.52 0.00 0.00 34.95 33.25 1wh7 s ARG 61 CO 0.35 -0.35 1.85 -0.09 0.02 0.00 0.00 175.30 177.08 1wh7 h ARG 62 N 0.59 0.85 -0.40 3.54 2.43 -1.95 1.48 114.38 120.92 1wh7 h ARG 62 Ca -0.46 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 58.55 1wh7 h ARG 62 Cb 1.19 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1wh7 h ARG 62 CO 0.62 0.56 -0.17 -0.56 -1.51 0.00 0.00 179.97 178.90 1wh7 h GLN 63 N 0.87 0.83 -0.09 0.20 3.07 -1.97 0.44 115.11 118.45 1wh7 h GLN 63 Ca 0.28 -0.35 -0.02 0.00 0.09 0.00 0.00 58.65 58.64 1wh7 h GLN 63 Cb 0.00 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.53 1wh7 h GLN 63 CO -0.10 0.98 -0.04 0.28 0.09 0.00 0.00 178.83 180.04 1wh7 h VAL 64 N 0.64 1.31 -0.70 1.86 2.07 -1.79 0.99 116.25 120.63 1wh7 h VAL 64 Ca 0.09 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 1wh7 h VAL 64 Cb 0.73 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1wh7 h VAL 64 CO 0.05 0.29 0.37 0.25 0.02 0.00 0.00 177.57 178.55 1wh7 h LEU 65 N -0.17 0.89 0.16 2.57 6.46 0.21 0.86 115.31 126.29 1wh7 h LEU 65 Ca 0.02 -0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 1wh7 h LEU 65 Cb 0.48 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1wh7 h LEU 65 CO 0.01 0.75 -0.08 0.50 -0.62 0.00 0.00 178.44 179.00 1wh7 h LYS 66 N 0.97 -0.21 0.00 1.25 3.64 -0.02 0.19 116.57 122.39 1wh7 h LYS 66 Ca 0.24 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1wh7 h LYS 66 Cb 0.07 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1wh7 h LYS 66 CO -0.04 0.16 -0.00 0.82 -2.27 0.00 0.00 179.45 178.12 1wh7 h ILE 67 N -0.63 0.66 0.00 2.00 2.04 0.12 0.40 117.51 122.11 1wh7 h ILE 67 Ca -0.02 -0.01 -0.22 0.00 1.00 0.00 0.00 64.86 65.60 1wh7 h ILE 67 Cb 0.47 1.01 0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1wh7 h ILE 67 CO 0.04 0.00 -0.86 -0.25 0.00 0.00 0.00 178.15 177.08 1wh7 h TRP 68 N 0.00 0.86 -0.53 1.37 7.01 0.10 -0.44 115.95 124.31 1wh7 h TRP 68 Ca -0.00 -0.47 -0.11 0.00 2.11 0.00 0.00 58.89 60.42 1wh7 h TRP 68 Cb 0.01 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1wh7 h TRP 68 CO 0.00 1.30 -0.11 0.52 -2.79 0.00 0.00 178.44 177.36 1wh7 h MET 69 N 0.17 1.01 0.09 2.65 2.86 0.13 -2.30 114.93 119.54 1wh7 h MET 69 Ca -0.11 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1wh7 h MET 69 Cb 1.54 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1wh7 h MET 69 CO 0.17 1.05 -0.04 1.25 1.06 0.00 0.00 176.91 180.40 1wh7 h HIS 70 N 0.90 -0.11 -0.53 -0.22 -0.00 -0.33 0.49 115.15 115.34 1wh7 h HIS 70 Ca 0.14 -0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.66 1wh7 h HIS 70 Cb 0.67 0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 1wh7 h HIS 70 CO 0.04 0.31 0.53 -0.91 -0.00 0.00 0.00 177.93 177.91 1wh7 h ASN 71 N -0.58 0.00 0.00 3.26 -0.26 -1.05 -2.88 115.58 114.06 1wh7 h ASN 71 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.73 1wh7 h ASN 71 Cb 0.48 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 1wh7 h ASN 71 CO 0.02 0.00 0.00 0.59 -1.06 0.00 0.00 177.43 176.98 1wh7 n ASN 72 N -3.76 0.00 -4.38 5.81 3.02 -0.87 -4.33 115.26 110.75 1wh7 n ASN 72 Ca 0.10 0.21 -0.44 0.00 -0.03 0.00 0.00 54.58 54.43 1wh7 n ASN 72 Cb 0.74 -0.25 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.36 0.23 -1.48 3.52 2.85 0.14 -3.12 118.16 118.94 1wh7 n LYS 73 Ca 0.00 0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1wh7 n LYS 73 Cb 0.00 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1wh7 n ASN 74 N 1.90 -8.06 0.00 -5.58 3.02 -1.26 -4.83 115.26 100.45 1wh7 n ASN 74 Ca 0.13 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.83 1wh7 n ASN 74 Cb 0.35 -4.36 0.00 0.00 -0.61 0.00 0.00 39.78 35.16 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1wh7 n SER 75 N -0.84 0.00 0.00 6.41 7.64 -1.26 -4.02 113.62 121.55 1wh7 n SER 75 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wh7 n SER 75 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.05 0.53 0.09 0.23 0.00 -1.26 -4.85 105.19 99.88 1wh7 n GLY 76 Ca 0.00 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 0.15 -6.45 1.61 0.13 -2.02 -3.44 132.00 121.98 1wh7 h PRO 77 Ca 0.00 -0.15 -0.54 0.00 -0.87 0.00 0.00 66.00 64.45 1wh7 h PRO 77 Cb 0.00 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wh7 h PRO 77 CO 0.00 0.86 0.43 -1.54 -0.23 0.00 0.00 178.00 177.52 1wh7 s SER 78 N -6.22 7.30 -0.18 1.44 1.04 -1.26 -4.95 113.70 110.86 1wh7 s SER 78 Ca -0.16 1.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.89 1wh7 s SER 78 Cb 0.01 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1wh7 s SER 78 CO 0.73 -0.30 -0.33 -0.24 0.98 0.00 0.00 173.24 174.08 1wh7 n SER 79 N 3.75 1.93 0.00 7.02 2.88 -1.26 -4.86 113.62 123.07 1wh7 n SER 79 Ca 0.06 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1wh7 n SER 79 Cb 0.49 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42