#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 1.23 -4.57 1.61 2.88 -1.26 -4.94 113.62 108.57 1wh7 n SER 2 Ca 0.00 0.18 -0.42 0.00 -1.33 0.00 0.00 58.87 57.30 1wh7 n SER 2 Cb 0.00 -0.42 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 1wh7 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh7 s SER 3 N -5.93 6.16 0.00 -3.46 0.15 -1.26 -4.49 113.70 104.87 1wh7 s SER 3 Ca -0.09 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1wh7 s SER 3 Cb 0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wh7 s SER 3 CO 0.12 -1.71 0.00 0.61 1.20 0.00 0.00 173.24 173.47 1wh7 n GLY 4 N 5.25 -0.97 3.85 9.45 0.00 -1.26 -5.16 105.19 116.35 1wh7 n GLY 4 Ca 0.11 0.26 -0.35 0.00 0.00 0.00 0.00 46.02 46.04 1wh7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh7 s SER 5 N 0.00 6.78 -0.11 1.61 1.04 -1.26 -4.68 113.70 117.08 1wh7 s SER 5 Ca 0.00 1.04 -0.04 0.00 0.48 0.00 0.00 55.95 57.42 1wh7 s SER 5 Cb 0.00 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1wh7 s SER 5 CO 0.00 0.08 0.08 -0.24 0.98 0.00 0.00 173.24 174.14 1wh7 n SER 6 N 0.66 -5.16 -3.11 7.02 2.88 -1.26 -4.92 113.62 109.73 1wh7 n SER 6 Ca -0.05 1.07 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 1wh7 n SER 6 Cb 0.52 -3.37 -0.03 0.00 -0.75 0.00 0.00 64.21 60.58 1wh7 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 7 N 1.76 5.63 3.20 0.46 0.00 -1.26 -5.01 105.19 109.97 1wh7 n GLY 7 Ca -0.14 -2.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.00 1wh7 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh7 s SER 8 N -3.02 -0.10 0.11 1.61 1.04 -1.26 -5.17 113.70 106.91 1wh7 s SER 8 Ca 0.46 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.88 1wh7 s SER 8 Cb 0.25 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1wh7 s SER 8 CO -0.12 -0.45 0.04 0.20 0.98 0.00 0.00 173.24 173.88 1wh7 s ASN 9 N -1.48 5.17 1.06 7.02 0.01 -1.26 -5.12 114.94 120.34 1wh7 s ASN 9 Ca -0.12 -0.17 -0.17 0.00 -0.71 0.00 0.00 52.86 51.69 1wh7 s ASN 9 Cb -0.05 -1.27 0.23 0.00 0.41 0.00 0.00 41.25 40.57 1wh7 s ASN 9 CO 0.02 0.14 1.21 -2.16 -1.51 0.00 0.00 177.10 174.80 1wh7 s PRO 10 N -2.55 -0.13 -0.20 -0.60 0.04 -1.26 -5.10 135.00 125.21 1wh7 s PRO 10 Ca 0.28 -0.18 -0.31 0.00 0.04 0.00 0.00 61.00 60.82 1wh7 s PRO 10 Cb -0.11 -1.73 0.15 0.00 0.04 0.00 0.00 34.50 32.84 1wh7 s PRO 10 CO 0.20 -2.96 1.17 0.45 0.04 0.00 0.00 177.00 175.90 1wh7 s SER 11 N -4.35 -0.19 -0.24 6.66 0.15 -1.26 -5.18 113.70 109.28 1wh7 s SER 11 Ca 0.71 0.13 -0.31 0.00 0.70 0.00 0.00 55.95 57.19 1wh7 s SER 11 Cb -0.08 0.17 0.17 0.00 -1.71 0.00 0.00 66.02 64.57 1wh7 s SER 11 CO 0.54 -0.23 1.25 -0.44 1.20 0.00 0.00 173.24 175.56 1wh7 s SER 12 N -1.53 -0.13 0.21 5.45 0.01 -1.26 -5.09 113.70 111.36 1wh7 s SER 12 Ca 0.06 0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1wh7 s SER 12 Cb -0.01 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.33 1wh7 s SER 12 CO -0.04 -0.14 0.00 -1.20 0.41 0.00 0.00 173.24 172.27 1wh7 n SER 13 N 0.45 0.10 -2.33 2.44 7.64 -1.26 -5.17 113.62 115.50 1wh7 n SER 13 Ca -0.02 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.20 1wh7 n SER 13 Cb 0.58 0.21 0.01 0.00 -1.01 0.00 0.00 64.21 64.00 1wh7 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh7 n GLY 14 N 1.96 0.82 2.71 0.23 0.00 -1.26 -5.10 105.19 104.55 1wh7 n GLY 14 Ca 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.42 0.30 3.91 -0.02 0.00 -1.26 -5.15 105.19 102.54 1wh7 n GLY 15 Ca -0.01 0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 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 0.22 4.12 0.00 2.61 -4.23 -1.26 -4.94 115.64 112.16 1wh7 s THR 16 Ca 0.21 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1wh7 s THR 16 Cb 0.30 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1wh7 s THR 16 CO -0.08 -0.64 0.00 0.41 -0.54 0.00 0.00 174.62 173.77 1wh7 n THR 17 N -2.51 0.00 0.00 3.99 -1.04 -1.26 -5.02 114.28 108.45 1wh7 n THR 17 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1wh7 n THR 17 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 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 -1.80 0.00 -1.30 -2.82 2.85 -1.26 -5.14 118.16 108.68 1wh7 n LYS 18 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 1wh7 n LYS 18 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 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 0.02 -4.38 -1.58 1.74 -1.26 -4.96 116.66 106.25 1wh7 n ARG 19 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.78 1wh7 n ARG 19 Cb 0.00 -1.02 -0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1wh7 s PHE 20 N -1.70 2.77 0.24 -1.55 -0.71 -1.26 -5.02 117.98 110.75 1wh7 s PHE 20 Ca 0.59 -0.13 0.00 0.00 -1.04 0.00 0.00 56.93 56.35 1wh7 s PHE 20 Cb -0.62 -1.50 0.00 0.00 -1.21 0.00 0.00 43.02 39.68 1wh7 s PHE 20 CO 0.63 0.38 0.00 -2.13 -1.34 0.00 0.00 175.22 172.76 1wh7 n ARG 21 N 1.15 -1.60 -2.13 1.99 3.00 -1.26 -4.89 116.66 112.91 1wh7 n ARG 21 Ca -0.14 1.26 -0.38 0.00 -0.00 0.00 0.00 57.85 58.58 1wh7 n ARG 21 Cb 0.52 -1.61 -0.00 0.00 0.00 0.00 0.00 32.46 31.37 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wh7 s THR 22 N -4.36 2.82 -0.14 5.15 -4.23 -1.26 -5.03 115.64 108.60 1wh7 s THR 22 Ca 0.00 0.66 0.01 0.00 -1.18 0.00 0.00 61.69 61.18 1wh7 s THR 22 Cb 0.00 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.50 1wh7 s THR 22 CO 0.00 0.04 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.23 1wh7 s LYS 23 N -2.52 2.20 0.47 3.99 2.20 -1.26 -5.13 119.74 119.69 1wh7 s LYS 23 Ca 0.62 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1wh7 s LYS 23 Cb -0.33 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1wh7 s LYS 23 CO 0.41 -0.20 0.03 -0.06 -0.36 0.00 0.00 175.35 175.17 1wh7 s PHE 24 N 1.41 1.94 0.21 4.03 0.08 -1.26 -5.16 117.98 119.23 1wh7 s PHE 24 Ca 0.03 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.15 1wh7 s PHE 24 Cb -0.13 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1wh7 s PHE 24 CO -0.09 0.16 0.23 -0.08 -0.10 0.00 0.00 175.22 175.34 1wh7 s THR 25 N -2.93 4.78 0.16 0.64 -1.32 -1.26 -4.93 115.64 110.79 1wh7 s THR 25 Ca 0.14 -1.11 -0.21 0.00 -1.21 0.00 0.00 61.69 59.29 1wh7 s THR 25 Cb 0.03 -3.53 0.06 0.00 -1.51 0.00 0.00 72.50 67.55 1wh7 s THR 25 CO 0.07 -0.24 1.32 0.00 -2.21 0.00 0.00 174.62 173.56 1wh7 n ALA 26 N -0.92 -0.35 -0.20 11.08 0.00 -1.26 -0.11 120.51 128.76 1wh7 n ALA 26 Ca -0.08 0.78 -0.08 0.00 0.00 0.00 0.00 53.44 54.06 1wh7 n ALA 26 Cb 0.56 -0.24 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 1wh7 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wh7 h GLU 27 N 0.00 -0.11 -0.61 0.00 4.81 -1.98 0.34 114.58 117.03 1wh7 h GLU 27 Ca 0.21 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1wh7 h GLU 27 Cb 0.42 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 29.72 1wh7 h GLU 27 CO -0.82 -0.07 -0.40 1.96 -0.73 0.00 0.00 179.01 178.94 1wh7 h GLN 28 N -0.12 -0.19 0.00 1.92 4.20 -0.90 1.21 115.11 121.24 1wh7 h GLN 28 Ca 0.08 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1wh7 h GLN 28 Cb 0.33 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 1wh7 h GLN 28 CO -0.52 -0.12 -0.16 0.87 -0.67 0.00 0.00 178.83 178.22 1wh7 h LYS 29 N -0.19 -0.20 -0.73 1.46 1.57 0.39 0.72 116.57 119.59 1wh7 h LYS 29 Ca 0.21 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.16 1wh7 h LYS 29 Cb 0.56 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.79 1wh7 h LYS 29 CO -0.70 -0.13 0.05 0.93 -0.57 0.00 0.00 179.45 179.03 1wh7 h GLU 30 N -0.21 0.14 -0.39 3.15 5.08 0.36 0.40 114.58 123.12 1wh7 h GLU 30 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1wh7 h GLU 30 Cb 0.22 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1wh7 h GLU 30 CO -0.11 0.09 0.05 0.87 -1.00 0.00 0.00 179.01 178.91 1wh7 h LYS 31 N 0.14 0.16 -0.03 2.33 6.56 0.23 -1.95 116.57 124.02 1wh7 h LYS 31 Ca 0.40 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.98 1wh7 h LYS 31 Cb 0.70 -0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 32.33 1wh7 h LYS 31 CO -0.60 0.11 0.02 0.52 -2.06 0.00 0.00 179.45 177.43 1wh7 h MET 32 N 0.16 0.05 -0.86 3.15 2.86 0.39 0.52 114.93 121.20 1wh7 h MET 32 Ca 0.19 -0.00 0.21 0.00 -2.06 0.00 0.00 59.70 58.03 1wh7 h MET 32 Cb 0.24 -0.01 -0.15 0.00 0.06 0.00 0.00 31.60 31.74 1wh7 h MET 32 CO -0.27 0.09 -0.02 -0.07 1.06 0.00 0.00 176.91 177.70 1wh7 h LEU 33 N -0.01 -0.46 0.28 1.22 -0.00 0.23 0.67 115.31 117.25 1wh7 h LEU 33 Ca 0.01 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 58.11 1wh7 h LEU 33 Cb 0.06 0.42 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1wh7 h LEU 33 CO -0.00 -0.25 -0.14 0.00 -0.00 0.00 0.00 178.44 178.05 1wh7 h ALA 34 N 1.83 -0.38 -0.89 1.53 0.00 -1.01 -2.40 119.26 117.94 1wh7 h ALA 34 Ca 0.48 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1wh7 h ALA 34 Cb 0.88 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1wh7 h ALA 34 CO -0.79 -0.36 -0.53 0.34 0.00 0.00 0.00 179.25 177.92 1wh7 n PHE 35 N -5.03 -0.39 0.06 0.00 7.35 0.18 0.39 117.46 120.02 1wh7 n PHE 35 Ca -0.05 1.11 -0.11 0.00 -0.76 0.00 0.00 57.45 57.64 1wh7 n PHE 35 Cb 0.16 -0.57 -0.05 0.00 0.35 0.00 0.00 39.48 39.38 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 0.40 -0.33 -1.09 3.13 0.00 0.19 0.11 119.26 121.67 1wh7 h ALA 36 Ca 0.14 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1wh7 h ALA 36 Cb 0.36 0.43 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 1wh7 h ALA 36 CO -0.84 -0.75 0.70 0.93 0.00 0.00 0.00 179.25 179.30 1wh7 h GLU 37 N -0.38 0.32 -0.05 0.00 4.39 -0.01 1.89 114.58 120.75 1wh7 h GLU 37 Ca 0.06 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1wh7 h GLU 37 Cb 0.46 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1wh7 h GLU 37 CO -0.21 0.21 -0.12 0.00 -1.16 0.00 0.00 179.01 177.74 1wh7 h ARG 38 N 0.33 0.16 0.00 2.33 3.08 0.19 -2.86 114.38 117.61 1wh7 h ARG 38 Ca 0.64 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1wh7 h ARG 38 Cb 1.71 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.77 1wh7 h ARG 38 CO -0.33 0.71 0.00 1.28 -1.07 0.00 0.00 179.97 180.56 1wh7 n LEU 39 N -4.65 0.00 -0.92 3.04 4.77 0.71 -4.84 117.00 115.11 1wh7 n LEU 39 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1wh7 n LEU 39 Cb 0.37 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1wh7 n LEU 39 CO 0.37 0.00 -0.11 0.61 -1.33 0.00 0.00 177.39 176.93 1wh7 n GLY 40 N 0.78 0.34 2.34 -0.72 0.00 0.56 -2.05 105.19 106.44 1wh7 n GLY 40 Ca 0.21 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.61 -0.30 -3.81 1.61 7.02 0.33 -4.93 117.44 113.75 1wh7 n TRP 41 Ca -0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 1wh7 n TRP 41 Cb 0.49 -2.71 -0.11 0.00 -2.42 0.00 0.00 31.31 26.56 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 -3.87 0.34 -0.01 -0.99 1.70 -0.87 -4.76 118.95 110.50 1wh7 s ARG 42 Ca 0.00 0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.37 1wh7 s ARG 42 Cb 0.00 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1wh7 s ARG 42 CO 0.00 -0.06 -0.01 0.42 -1.08 0.00 0.00 175.30 174.57 1wh7 s ILE 43 N -0.37 4.11 0.16 4.99 1.01 -1.26 -4.61 121.20 125.22 1wh7 s ILE 43 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1wh7 s ILE 43 Cb -0.03 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1wh7 s ILE 43 CO 0.01 0.39 0.02 0.00 0.00 0.00 0.00 174.94 175.36 1wh7 n GLN 44 N 1.46 1.31 0.00 2.79 6.02 -1.26 -4.98 117.38 122.72 1wh7 n GLN 44 Ca -0.15 -1.24 0.13 0.00 -0.01 0.00 0.00 57.00 55.74 1wh7 n GLN 44 Cb 0.53 0.45 0.67 0.00 1.02 0.00 0.00 30.24 32.90 1wh7 n GLN 44 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1wh7 n LYS 45 N -0.39 0.30 -0.04 -1.09 2.85 -1.26 -2.70 118.16 115.83 1wh7 n LYS 45 Ca -0.05 0.03 0.02 0.00 -1.05 0.00 0.00 58.31 57.26 1wh7 n LYS 45 Cb 0.22 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.95 1wh7 n LYS 45 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 1wh7 n HIS 46 N -1.34 0.00 0.87 5.58 1.44 -1.26 -4.18 115.22 116.34 1wh7 n HIS 46 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 1wh7 n HIS 46 Cb 0.24 -0.60 0.48 0.00 0.12 0.00 0.00 29.99 30.23 1wh7 n HIS 46 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1wh7 n ASP 47 N -2.35 0.33 -0.37 4.39 8.00 -1.10 -3.63 116.55 121.83 1wh7 n ASP 47 Ca -0.13 0.38 0.32 0.00 0.71 0.00 0.00 54.79 56.07 1wh7 n ASP 47 Cb 0.72 -0.42 0.64 0.00 -0.02 0.00 0.00 41.12 42.04 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wh7 h ASP 48 N 0.00 0.22 0.00 -2.24 3.58 -1.68 0.66 116.42 116.97 1wh7 h ASP 48 Ca 0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1wh7 h ASP 48 Cb 0.58 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1wh7 h ASP 48 CO 0.00 0.00 0.00 0.52 -2.88 0.00 0.00 179.24 176.88 1wh7 n VAL 49 N -4.44 0.00 -0.32 2.25 0.31 -1.24 -1.99 118.33 112.91 1wh7 n VAL 49 Ca 0.29 0.96 0.17 0.00 -0.01 0.00 0.00 64.34 65.74 1wh7 n VAL 49 Cb 1.18 -1.92 0.34 0.00 -0.91 0.00 0.00 33.84 32.53 1wh7 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wh7 h ALA 50 N -2.00 1.39 -0.71 3.52 0.00 -1.56 1.57 119.26 121.46 1wh7 h ALA 50 Ca 0.00 0.27 0.11 0.00 0.00 0.00 0.00 54.91 55.29 1wh7 h ALA 50 Cb 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1wh7 h ALA 50 CO 0.00 -0.58 0.32 0.28 0.00 0.00 0.00 179.25 179.28 1wh7 h VAL 51 N 0.11 0.78 -0.34 0.00 2.07 0.25 0.24 116.25 119.36 1wh7 h VAL 51 Ca 0.62 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.89 1wh7 h VAL 51 Cb 1.33 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1wh7 h VAL 51 CO -0.76 0.10 -0.04 -0.33 0.02 0.00 0.00 177.57 176.56 1wh7 h GLU 52 N 0.53 0.63 -0.29 1.57 4.39 0.28 -0.07 114.58 121.61 1wh7 h GLU 52 Ca 0.37 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.89 1wh7 h GLU 52 Cb 0.46 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1wh7 h GLU 52 CO -0.32 0.77 0.02 1.96 -1.16 0.00 0.00 179.01 180.29 1wh7 h GLN 53 N 0.43 0.12 0.43 2.33 4.20 0.60 -1.08 115.11 122.13 1wh7 h GLN 53 Ca 0.09 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1wh7 h GLN 53 Cb 0.52 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1wh7 h GLN 53 CO 0.03 0.08 -0.21 0.35 -0.67 0.00 0.00 178.83 178.40 1wh7 h PHE 54 N 0.12 -0.54 -1.52 2.96 3.04 -0.51 0.60 116.94 121.10 1wh7 h PHE 54 Ca 0.14 -0.01 0.48 0.00 3.98 0.00 0.00 57.97 62.56 1wh7 h PHE 54 Cb 0.17 0.18 -0.11 0.00 2.56 0.00 0.00 35.95 38.75 1wh7 h PHE 54 CO -0.20 -0.34 1.03 0.00 -2.02 0.00 0.00 178.31 176.79 1wh7 h ALA 56 N 1.24 -0.01 -0.07 0.00 0.00 -0.89 0.06 119.26 119.59 1wh7 h ALA 56 Ca 0.84 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.76 1wh7 h ALA 56 Cb 3.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.78 1wh7 h ALA 56 CO -0.25 -0.01 -0.07 0.93 0.00 0.00 0.00 179.25 179.84 1wh7 h GLU 57 N -0.26 -0.04 0.32 0.00 5.08 0.33 -2.75 114.58 117.26 1wh7 h GLU 57 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1wh7 h GLU 57 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1wh7 h GLU 57 CO 0.00 -0.02 -0.15 1.79 -1.00 0.00 0.00 179.01 179.62 1wh7 h THR 58 N -0.04 0.71 0.00 1.13 1.35 -0.30 -3.47 112.91 112.28 1wh7 h THR 58 Ca 0.01 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1wh7 h THR 58 Cb 0.07 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1wh7 h THR 58 CO -0.09 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1wh7 n GLY 59 N -0.98 1.51 3.90 5.82 0.00 -0.07 -5.00 105.19 110.36 1wh7 n GLY 59 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1wh7 n GLY 59 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh7 s VAL 60 N -2.00 4.78 -0.13 1.61 -7.23 -0.71 -4.91 120.40 111.81 1wh7 s VAL 60 Ca 0.00 0.33 -0.08 0.00 -1.81 0.00 0.00 61.98 60.42 1wh7 s VAL 60 Cb 0.00 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 33.06 1wh7 s VAL 60 CO 0.00 -0.89 0.15 -0.13 -0.31 0.00 0.00 175.10 173.92 1wh7 s ARG 61 N -4.85 3.55 0.12 4.82 1.81 -1.26 -3.95 118.95 119.19 1wh7 s ARG 61 Ca 0.49 -0.12 -0.24 0.00 -1.72 0.00 0.00 55.73 54.14 1wh7 s ARG 61 Cb -0.10 -3.22 -0.05 0.00 -0.45 0.00 0.00 34.95 31.12 1wh7 s ARG 61 CO 0.47 0.72 1.28 -2.13 -0.68 0.00 0.00 175.30 174.95 1wh7 n ARG 62 N 2.17 -0.34 -0.17 3.54 0.63 -1.26 0.11 116.66 121.34 1wh7 n ARG 62 Ca -0.19 1.25 -0.02 0.00 -0.92 0.00 0.00 57.85 57.97 1wh7 n ARG 62 Cb 0.55 -1.84 0.08 0.00 0.45 0.00 0.00 32.46 31.69 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 0.31 -0.23 -0.14 3.07 -1.97 0.94 115.11 117.09 1wh7 h GLN 63 Ca 0.12 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.89 1wh7 h GLN 63 Cb 0.32 -0.07 -0.04 0.00 0.08 0.00 0.00 27.48 27.76 1wh7 h GLN 63 CO -0.72 0.20 -0.06 0.28 0.09 0.00 0.00 178.83 178.62 1wh7 h VAL 64 N 0.31 0.77 0.70 1.86 2.07 0.21 2.22 116.25 124.40 1wh7 h VAL 64 Ca 0.26 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.75 1wh7 h VAL 64 Cb 0.33 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1wh7 h VAL 64 CO -0.30 0.00 -0.34 0.25 0.02 0.00 0.00 177.57 177.20 1wh7 h LEU 65 N -0.00 -0.80 -0.54 2.57 5.85 0.19 1.61 115.31 124.19 1wh7 h LEU 65 Ca 0.11 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1wh7 h LEU 65 Cb 0.17 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 1wh7 h LEU 65 CO -0.24 -0.48 0.09 0.50 -0.34 0.00 0.00 178.44 177.97 1wh7 h LYS 66 N -1.10 0.21 -0.17 1.25 3.64 0.11 0.48 116.57 121.00 1wh7 h LYS 66 Ca -0.10 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.19 1wh7 h LYS 66 Cb 0.75 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1wh7 h LYS 66 CO 0.16 0.14 -0.27 0.82 -2.27 0.00 0.00 179.45 178.03 1wh7 h ILE 67 N 0.22 1.26 0.03 2.00 2.04 0.38 -2.37 117.51 121.07 1wh7 h ILE 67 Ca 0.27 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1wh7 h ILE 67 Cb 0.39 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1wh7 h ILE 67 CO -0.37 0.37 -0.02 -0.25 0.00 0.00 0.00 178.15 177.88 1wh7 h TRP 68 N 0.29 -0.04 -0.64 1.37 7.01 0.58 0.41 115.95 124.92 1wh7 h TRP 68 Ca 0.04 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.15 1wh7 h TRP 68 Cb 0.63 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.63 1wh7 h TRP 68 CO 0.01 0.08 0.24 0.52 -2.79 0.00 0.00 178.44 176.51 1wh7 h MET 69 N -0.16 0.40 0.00 2.65 2.86 0.07 0.63 114.93 121.39 1wh7 h MET 69 Ca -0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1wh7 h MET 69 Cb 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1wh7 h MET 69 CO 0.01 0.27 0.00 1.58 1.06 0.00 0.00 176.91 179.82 1wh7 n HIS 70 N -5.00 0.84 0.52 -0.22 -0.00 -0.92 0.21 115.22 110.65 1wh7 n HIS 70 Ca 0.10 0.28 0.12 0.00 -0.00 0.00 0.00 57.72 58.21 1wh7 n HIS 70 Cb 0.30 -0.95 0.10 0.00 -0.00 0.00 0.00 29.99 29.43 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 -2.22 0.67 0.00 0.26 5.03 0.16 -4.52 115.26 114.65 1wh7 n ASN 71 Ca 0.04 0.01 -0.03 0.00 0.87 0.00 0.00 54.58 55.47 1wh7 n ASN 71 Cb 0.33 0.45 -0.01 0.00 -1.02 0.00 0.00 39.78 39.53 1wh7 n ASN 71 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1wh7 n ASN 72 N -2.10 1.37 -4.36 6.41 3.02 0.17 -5.03 115.26 114.73 1wh7 n ASN 72 Ca 0.02 0.20 -0.37 0.00 -0.03 0.00 0.00 54.58 54.40 1wh7 n ASN 72 Cb 0.45 -0.46 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 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 -3.80 0.22 -3.91 3.52 -0.00 0.55 -5.00 118.16 109.74 1wh7 n LYS 73 Ca -0.05 0.10 -0.09 0.00 -0.00 0.00 0.00 58.31 58.27 1wh7 n LYS 73 Cb 0.18 -1.52 -0.07 0.00 -0.00 0.00 0.00 35.03 33.62 1wh7 n LYS 73 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1wh7 s ASN 74 N -1.27 0.01 0.01 -5.58 -0.87 -1.26 -4.77 114.94 101.21 1wh7 s ASN 74 Ca 0.61 -0.77 -0.15 0.00 -1.57 0.00 0.00 52.86 50.97 1wh7 s ASN 74 Cb -0.38 0.44 0.05 0.00 -0.02 0.00 0.00 41.25 41.34 1wh7 s ASN 74 CO 0.62 -0.88 0.70 -1.54 -2.57 0.00 0.00 177.10 173.43 1wh7 n SER 75 N -0.20 -0.75 0.00 -1.22 3.41 -1.26 -5.08 113.62 108.52 1wh7 n SER 75 Ca -0.09 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1wh7 n SER 75 Cb 0.63 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.75 1wh7 n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh7 n GLY 76 N -0.50 0.89 2.76 5.00 0.00 -1.26 -1.87 105.19 110.21 1wh7 n GLY 76 Ca 0.02 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1wh7 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh7 n PRO 77 N 5.97 2.38 -0.08 1.61 -0.04 -1.26 -4.45 135.00 139.14 1wh7 n PRO 77 Ca 0.00 -2.05 -0.08 0.00 -0.04 0.00 0.00 63.50 61.34 1wh7 n PRO 77 Cb 0.00 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.51 1wh7 n PRO 77 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wh7 n SER 78 N 5.76 1.82 0.16 3.54 3.41 -0.78 -5.00 113.62 122.54 1wh7 n SER 78 Ca 0.54 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.74 1wh7 n SER 78 Cb 0.32 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1wh7 n SER 79 N -4.58 -1.53 0.00 4.04 2.88 -1.26 -5.06 113.62 108.10 1wh7 n SER 79 Ca -0.12 0.58 0.10 0.00 -1.33 0.00 0.00 58.87 58.11 1wh7 n SER 79 Cb 0.34 1.58 0.61 0.00 -0.75 0.00 0.00 64.21 66.00 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42