#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 6.92 0.34 1.61 1.04 -1.26 -4.92 113.70 117.43 1wh7 s SER 2 Ca 0.00 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.06 1wh7 s SER 2 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1wh7 s SER 2 CO 0.00 -0.33 0.00 -0.24 0.98 0.00 0.00 173.24 173.65 1wh7 n SER 3 N -0.57 -2.28 0.00 7.02 2.88 -1.26 -5.16 113.62 114.25 1wh7 n SER 3 Ca 0.06 0.63 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1wh7 n SER 3 Cb 0.54 2.24 0.00 0.00 -0.75 0.00 0.00 64.21 66.24 1wh7 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh7 n GLY 4 N -0.35 0.83 2.39 0.46 0.00 -1.26 -5.08 105.19 102.17 1wh7 n GLY 4 Ca 0.00 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 1wh7 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh7 n SER 5 N 0.00 -7.70 -3.82 1.61 7.64 -1.26 -5.06 113.62 105.04 1wh7 n SER 5 Ca 0.00 1.75 -0.12 0.00 1.01 0.00 0.00 58.87 61.51 1wh7 n SER 5 Cb 0.00 -4.99 -0.12 0.00 -1.01 0.00 0.00 64.21 58.10 1wh7 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wh7 s SER 6 N -0.57 -0.15 0.00 6.43 0.01 -1.26 -5.11 113.70 113.05 1wh7 s SER 6 Ca -0.04 0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1wh7 s SER 6 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 1wh7 s SER 6 CO 0.11 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1wh7 n GLY 7 N 2.63 -1.16 2.73 3.44 0.00 -1.26 -4.84 105.19 106.74 1wh7 n GLY 7 Ca -0.15 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 1wh7 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 s SER 8 N -4.00 -0.52 -0.32 1.61 0.01 -1.26 -5.09 113.70 104.12 1wh7 s SER 8 Ca 0.00 -1.91 0.03 0.00 1.31 0.00 0.00 55.95 55.38 1wh7 s SER 8 Cb 0.00 1.23 0.10 0.00 0.21 0.00 0.00 66.02 67.56 1wh7 s SER 8 CO 0.00 -0.11 0.05 0.20 0.41 0.00 0.00 173.24 173.78 1wh7 s ASN 9 N 0.87 4.51 -0.06 2.44 -0.87 -1.26 -4.98 114.94 115.59 1wh7 s ASN 9 Ca 0.28 -1.94 -0.26 0.00 -1.57 0.00 0.00 52.86 49.37 1wh7 s ASN 9 Cb -0.01 -1.40 -0.23 0.00 -0.02 0.00 0.00 41.25 39.58 1wh7 s ASN 9 CO -0.08 -0.37 1.04 1.55 -2.57 0.00 0.00 177.10 176.66 1wh7 h PRO 10 N 7.76 0.09 0.00 -0.60 0.13 -2.03 -3.48 132.00 133.88 1wh7 h PRO 10 Ca -0.08 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1wh7 h PRO 10 Cb 1.02 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wh7 h PRO 10 CO 0.50 0.82 0.00 -1.13 -0.23 0.00 0.00 178.00 177.96 1wh7 n SER 11 N -4.62 -1.31 -3.60 1.44 3.41 -1.26 -5.15 113.62 102.53 1wh7 n SER 11 Ca -0.09 0.51 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1wh7 n SER 11 Cb 0.43 1.48 -0.06 0.00 -0.26 0.00 0.00 64.21 65.80 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh7 s SER 12 N -2.00 -0.47 -0.11 4.04 0.15 -1.26 -5.09 113.70 108.96 1wh7 s SER 12 Ca 0.00 0.74 -0.13 0.00 0.70 0.00 0.00 55.95 57.26 1wh7 s SER 12 Cb 0.00 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 64.96 1wh7 s SER 12 CO 0.00 -0.27 -0.26 -0.24 1.20 0.00 0.00 173.24 173.67 1wh7 n SER 13 N 1.61 1.72 0.00 5.45 2.88 -1.26 -5.13 113.62 118.89 1wh7 n SER 13 Ca -0.12 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1wh7 n SER 13 Cb 0.57 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 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 1.96 3.38 0.00 0.46 0.00 -1.26 -5.10 105.19 104.64 1wh7 n GLY 14 Ca -0.12 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 1.67 3.92 -0.02 0.00 -1.26 -5.06 105.19 104.44 1wh7 n GLY 15 Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 1wh7 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wh7 s THR 16 N 0.00 4.18 0.00 2.61 -1.32 -1.26 -4.94 115.64 114.91 1wh7 s THR 16 Ca 0.00 -0.06 0.00 0.00 -1.21 0.00 0.00 61.69 60.42 1wh7 s THR 16 Cb 0.00 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.38 1wh7 s THR 16 CO 0.00 -0.56 0.00 0.41 -2.21 0.00 0.00 174.62 172.26 1wh7 n THR 17 N -2.34 0.00 -2.19 5.08 -1.04 -1.26 -4.88 114.28 107.65 1wh7 n THR 17 Ca 0.02 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.78 1wh7 n THR 17 Cb 0.57 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.09 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 -2.25 3.52 -4.21 -2.82 2.85 -1.26 -5.02 118.16 108.97 1wh7 n LYS 18 Ca 0.00 -4.28 -0.12 0.00 -1.05 0.00 0.00 58.31 52.86 1wh7 n LYS 18 Cb 0.00 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.01 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 -3.59 1.14 -0.47 -1.58 0.52 -1.26 -5.12 118.95 108.59 1wh7 s ARG 19 Ca 0.50 -1.58 -0.21 0.00 -0.52 0.00 0.00 55.73 53.93 1wh7 s ARG 19 Cb 0.41 0.06 0.04 0.00 0.52 0.00 0.00 34.95 35.98 1wh7 s ARG 19 CO -0.05 -0.28 0.67 -0.06 0.02 0.00 0.00 175.30 175.59 1wh7 s PHE 20 N -3.96 3.03 -0.40 -0.53 0.08 -1.26 -4.98 117.98 109.96 1wh7 s PHE 20 Ca 0.31 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 57.16 1wh7 s PHE 20 Cb 0.07 -3.49 0.14 0.00 -0.57 0.00 0.00 43.02 39.17 1wh7 s PHE 20 CO 0.08 -0.98 0.22 1.03 -0.10 0.00 0.00 175.22 175.47 1wh7 s ARG 21 N 2.88 0.96 0.28 0.44 1.81 -1.26 -5.11 118.95 118.96 1wh7 s ARG 21 Ca 0.21 -1.69 -0.21 0.00 -1.72 0.00 0.00 55.73 52.32 1wh7 s ARG 21 Cb -0.16 -1.90 -0.14 0.00 -0.45 0.00 0.00 34.95 32.31 1wh7 s ARG 21 CO 0.17 -1.17 0.23 0.25 -0.68 0.00 0.00 175.30 174.09 1wh7 n THR 22 N 3.80 1.05 -3.99 0.02 -2.24 -1.26 -4.94 114.28 106.71 1wh7 n THR 22 Ca 0.10 -0.44 -0.30 0.00 -2.27 0.00 0.00 64.05 61.14 1wh7 n THR 22 Cb 0.36 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 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 -0.88 2.07 0.42 -0.78 2.20 -1.26 -5.12 119.74 116.39 1wh7 s LYS 23 Ca 0.54 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.55 1wh7 s LYS 23 Cb -0.66 -2.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.43 1wh7 s LYS 23 CO 0.53 -0.32 0.04 -0.06 -0.36 0.00 0.00 175.35 175.17 1wh7 s PHE 24 N 1.48 2.09 0.22 4.03 0.08 -1.26 -5.16 117.98 119.46 1wh7 s PHE 24 Ca 0.02 -0.91 0.07 0.00 0.12 0.00 0.00 56.93 56.23 1wh7 s PHE 24 Cb -0.14 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 1wh7 s PHE 24 CO -0.09 0.17 0.07 -0.08 -0.10 0.00 0.00 175.22 175.19 1wh7 s THR 25 N -2.97 3.97 0.23 0.64 -1.32 -1.26 -4.97 115.64 109.96 1wh7 s THR 25 Ca 0.25 -1.50 -0.16 0.00 -1.21 0.00 0.00 61.69 59.08 1wh7 s THR 25 Cb 0.06 -3.08 0.27 0.00 -1.51 0.00 0.00 72.50 68.25 1wh7 s THR 25 CO 0.13 -0.25 1.53 0.00 -2.21 0.00 0.00 174.62 173.81 1wh7 n ALA 26 N -0.66 -0.06 -0.21 11.08 0.00 -1.26 -0.52 120.51 128.88 1wh7 n ALA 26 Ca -0.08 1.00 -0.06 0.00 0.00 0.00 0.00 53.44 54.29 1wh7 n ALA 26 Cb 0.57 -0.47 -0.05 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.03 -0.52 0.00 4.81 -1.98 1.57 114.58 118.43 1wh7 h GLU 27 Ca 0.36 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.70 1wh7 h GLU 27 Cb 0.61 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.90 1wh7 h GLU 27 CO -0.98 -0.02 -0.10 1.96 -0.73 0.00 0.00 179.01 179.14 1wh7 h GLN 28 N -0.03 0.03 -0.17 1.92 4.20 -1.20 1.27 115.11 121.12 1wh7 h GLN 28 Ca 0.08 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1wh7 h GLN 28 Cb 0.24 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1wh7 h GLN 28 CO -0.48 0.02 -0.08 0.87 -0.67 0.00 0.00 178.83 178.49 1wh7 h LYS 29 N 0.03 -0.05 0.68 1.46 6.56 0.81 0.71 116.57 126.77 1wh7 h LYS 29 Ca 0.25 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.81 1wh7 h LYS 29 Cb 0.39 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.07 1wh7 h LYS 29 CO -0.51 -0.03 -0.33 0.93 -2.06 0.00 0.00 179.45 177.45 1wh7 h GLU 30 N -0.05 -0.89 -0.35 3.15 5.08 0.38 0.66 114.58 122.56 1wh7 h GLU 30 Ca 0.09 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.59 1wh7 h GLU 30 Cb 0.19 0.20 -0.08 0.00 0.50 0.00 0.00 28.75 29.56 1wh7 h GLU 30 CO -0.21 -0.57 -0.28 0.87 -1.00 0.00 0.00 179.01 177.82 1wh7 h LYS 31 N -0.99 -0.22 -0.24 2.33 6.56 0.18 -0.86 116.57 123.32 1wh7 h LYS 31 Ca -0.09 0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1wh7 h LYS 31 Cb 0.72 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.42 1wh7 h LYS 31 CO 0.15 -0.15 0.12 0.52 -2.06 0.00 0.00 179.45 178.04 1wh7 h MET 32 N -0.23 0.25 -0.87 3.15 2.86 0.53 1.22 114.93 121.85 1wh7 h MET 32 Ca 0.17 -0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.02 1wh7 h MET 32 Cb 0.50 -0.06 -0.14 0.00 0.06 0.00 0.00 31.60 31.96 1wh7 h MET 32 CO -0.48 0.16 0.20 -0.07 1.06 0.00 0.00 176.91 177.78 1wh7 h LEU 33 N 0.26 -0.06 0.00 1.22 -0.00 0.16 0.56 115.31 117.44 1wh7 h LEU 33 Ca 0.10 0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 1wh7 h LEU 33 Cb 0.03 0.28 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1wh7 h LEU 33 CO -0.07 -0.17 -0.04 0.00 -0.00 0.00 0.00 178.44 178.17 1wh7 h ALA 34 N 1.78 0.00 -0.92 1.53 0.00 -0.53 -3.00 119.26 118.13 1wh7 h ALA 34 Ca 0.53 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.39 1wh7 h ALA 34 Cb 1.06 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.75 1wh7 h ALA 34 CO -0.67 0.03 -0.42 0.34 0.00 0.00 0.00 179.25 178.53 1wh7 n PHE 35 N -4.72 -0.13 -0.11 0.00 7.35 0.42 0.10 117.46 120.37 1wh7 n PHE 35 Ca -0.04 1.14 -0.07 0.00 -0.76 0.00 0.00 57.45 57.73 1wh7 n PHE 35 Cb 0.15 -0.75 0.01 0.00 0.35 0.00 0.00 39.48 39.25 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 0.98 0.44 -0.79 3.13 0.00 -0.06 0.24 119.26 123.20 1wh7 h ALA 36 Ca 0.26 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.40 1wh7 h ALA 36 Cb 0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1wh7 h ALA 36 CO -0.89 -0.21 0.55 0.93 0.00 0.00 0.00 179.25 179.63 1wh7 h GLU 37 N 0.34 0.13 0.01 0.00 4.39 0.86 1.67 114.58 121.99 1wh7 h GLU 37 Ca 0.16 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1wh7 h GLU 37 Cb 0.09 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1wh7 h GLU 37 CO -0.13 0.09 -0.08 0.00 -1.16 0.00 0.00 179.01 177.73 1wh7 h ARG 38 N 0.14 0.05 0.00 2.33 3.08 0.13 -3.15 114.38 116.95 1wh7 h ARG 38 Ca 0.39 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1wh7 h ARG 38 Cb 1.32 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1wh7 h ARG 38 CO -0.06 0.89 0.00 1.28 -1.07 0.00 0.00 179.97 181.01 1wh7 n LEU 39 N -4.62 0.00 -1.02 3.04 4.77 -0.15 -4.84 117.00 114.18 1wh7 n LEU 39 Ca -0.10 0.12 -0.10 0.00 -0.03 0.00 0.00 56.01 55.90 1wh7 n LEU 39 Cb 0.45 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wh7 n LEU 39 CO 0.36 -0.03 -0.12 0.61 -1.33 0.00 0.00 177.39 176.88 1wh7 n GLY 40 N 0.63 0.39 2.27 -0.72 0.00 0.50 -2.03 105.19 106.23 1wh7 n GLY 40 Ca 0.15 -0.50 -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 -3.54 -0.61 -3.74 1.61 7.02 0.27 -4.95 117.44 113.50 1wh7 n TRP 41 Ca -0.11 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.24 1wh7 n TRP 41 Cb 0.50 -2.91 -0.13 0.00 -2.42 0.00 0.00 31.31 26.34 1wh7 n TRP 41 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1wh7 s ARG 42 N -4.59 0.18 -0.50 -0.99 0.52 -0.86 -4.77 118.95 107.94 1wh7 s ARG 42 Ca 0.00 0.45 -0.10 0.00 -0.52 0.00 0.00 55.73 55.56 1wh7 s ARG 42 Cb 0.00 -0.10 0.13 0.00 0.52 0.00 0.00 34.95 35.50 1wh7 s ARG 42 CO 0.00 -0.14 0.38 0.42 0.02 0.00 0.00 175.30 175.98 1wh7 s ILE 43 N 1.05 4.35 0.49 1.52 1.01 -1.26 -4.67 121.20 123.68 1wh7 s ILE 43 Ca -0.08 -1.84 -0.01 0.00 0.00 0.00 0.00 60.65 58.72 1wh7 s ILE 43 Cb -0.09 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1wh7 s ILE 43 CO -0.06 -0.80 0.73 -1.10 0.00 0.00 0.00 174.94 173.71 1wh7 s GLN 44 N 1.27 3.00 0.40 2.79 -0.21 -1.26 -4.89 119.66 120.77 1wh7 s GLN 44 Ca 0.06 -0.38 0.21 0.00 0.02 0.00 0.00 55.36 55.27 1wh7 s GLN 44 Cb -0.26 -2.48 1.20 0.00 1.00 0.00 0.00 33.01 32.47 1wh7 s GLN 44 CO -0.01 -0.40 1.70 -0.22 -2.12 0.00 0.00 175.29 174.24 1wh7 h LYS 45 N 0.24 0.27 -0.75 2.91 3.64 -2.02 1.45 116.57 122.32 1wh7 h LYS 45 Ca -0.46 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 1wh7 h LYS 45 Cb 1.26 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1wh7 h LYS 45 CO 0.58 0.18 0.29 1.12 -2.27 0.00 0.00 179.45 179.35 1wh7 h HIS 46 N 0.28 1.15 0.00 1.91 2.07 -2.01 -3.03 115.15 115.53 1wh7 h HIS 46 Ca 0.70 -0.09 -0.44 0.00 -2.85 0.00 0.00 60.37 57.68 1wh7 h HIS 46 Cb 1.89 -0.34 -0.01 0.00 2.57 0.00 0.00 27.41 31.51 1wh7 h HIS 46 CO -0.00 0.88 1.97 -0.25 -3.07 0.00 0.00 177.93 177.46 1wh7 n ASP 47 N -4.31 6.96 -0.04 3.10 9.92 0.50 -4.25 116.55 128.41 1wh7 n ASP 47 Ca 0.06 -2.50 -0.04 0.00 -0.53 0.00 0.00 54.79 51.79 1wh7 n ASP 47 Cb 0.19 -1.45 -0.01 0.00 -0.64 0.00 0.00 41.12 39.21 1wh7 n ASP 47 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wh7 n ASP 48 N 3.15 1.00 0.08 -2.24 2.03 -1.15 -4.05 116.55 115.38 1wh7 n ASP 48 Ca 0.61 0.31 -0.13 0.00 0.52 0.00 0.00 54.79 56.10 1wh7 n ASP 48 Cb 0.51 -0.66 -0.08 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.54 0.96 -1.31 5.18 2.07 -1.87 -1.40 116.25 119.35 1wh7 h VAL 49 Ca 0.00 -0.26 0.41 0.00 0.82 0.00 0.00 66.70 67.67 1wh7 h VAL 49 Cb 0.41 1.13 -0.11 0.00 -1.52 0.00 0.00 31.29 31.19 1wh7 h VAL 49 CO 0.00 0.06 0.86 0.00 0.02 0.00 0.00 177.57 178.52 1wh7 h ALA 50 N 0.61 2.76 -0.01 1.67 0.00 -1.82 1.66 119.26 124.13 1wh7 h ALA 50 Ca -0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wh7 h ALA 50 Cb 0.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wh7 h ALA 50 CO 0.02 -1.32 -0.06 0.28 0.00 0.00 0.00 179.25 178.18 1wh7 h VAL 51 N 0.13 1.55 -0.39 0.00 2.07 -1.51 -1.47 116.25 116.63 1wh7 h VAL 51 Ca 0.77 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 1wh7 h VAL 51 Cb 2.45 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 34.88 1wh7 h VAL 51 CO -0.34 0.45 0.19 1.05 0.02 0.00 0.00 177.57 178.95 1wh7 h GLU 52 N -0.64 0.54 -0.27 1.57 -0.00 0.18 0.21 114.58 116.18 1wh7 h GLU 52 Ca -0.01 -0.06 -0.12 0.00 -0.00 0.00 0.00 59.36 59.18 1wh7 h GLU 52 Cb 0.77 -0.11 -0.00 0.00 -0.00 0.00 0.00 28.75 29.41 1wh7 h GLU 52 CO 0.01 0.42 -0.31 1.96 -0.00 0.00 0.00 179.01 181.09 1wh7 h GLN 53 N 0.55 0.68 0.25 1.06 4.20 0.20 -1.45 115.11 120.59 1wh7 h GLN 53 Ca 0.14 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1wh7 h GLN 53 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1wh7 h GLN 53 CO -0.02 0.99 -0.12 0.35 -0.67 0.00 0.00 178.83 179.36 1wh7 h PHE 54 N 0.41 -0.31 -0.53 2.96 3.57 -0.61 -2.75 116.94 119.68 1wh7 h PHE 54 Ca 0.04 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1wh7 h PHE 54 Cb 0.89 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1wh7 h PHE 54 CO 0.08 -0.06 0.18 0.00 -2.23 0.00 0.00 178.31 176.28 1wh7 h ALA 56 N 1.36 1.95 -0.51 0.00 0.00 -1.08 1.47 119.26 122.45 1wh7 h ALA 56 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wh7 h ALA 56 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wh7 h ALA 56 CO -0.27 -0.67 0.00 -1.91 0.00 0.00 0.00 179.25 176.40 1wh7 n GLU 57 N -3.36 0.00 0.16 0.00 0.00 0.20 -4.73 120.64 112.91 1wh7 n GLU 57 Ca 0.06 0.10 -0.14 0.00 0.00 0.00 0.00 57.16 57.18 1wh7 n GLU 57 Cb 0.65 -0.54 -0.08 0.00 0.00 0.00 0.00 31.44 31.47 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 1wh7 h THR 58 N 0.00 0.73 0.00 6.31 1.35 -0.11 -3.48 112.91 117.72 1wh7 h THR 58 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1wh7 h THR 58 Cb 0.00 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1wh7 h THR 58 CO 0.00 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1wh7 n GLY 59 N -0.49 1.05 3.74 5.82 0.00 0.50 -5.01 105.19 110.80 1wh7 n GLY 59 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 3.48 0.08 1.61 1.01 -1.26 -4.97 120.40 118.35 1wh7 s VAL 60 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 1wh7 s VAL 60 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1wh7 s VAL 60 CO 0.00 0.20 0.99 -0.13 0.00 0.00 0.00 175.10 176.15 1wh7 s ARG 61 N -0.23 4.63 0.23 2.72 0.52 -1.26 -4.38 118.95 121.18 1wh7 s ARG 61 Ca 0.54 1.47 -0.13 0.00 -0.52 0.00 0.00 55.73 57.09 1wh7 s ARG 61 Cb -0.34 -3.40 0.30 0.00 0.52 0.00 0.00 34.95 32.04 1wh7 s ARG 61 CO 0.37 0.10 1.46 -2.13 0.02 0.00 0.00 175.30 175.12 1wh7 n ARG 62 N 3.18 -0.17 -0.18 3.54 0.63 -1.26 0.15 116.66 122.55 1wh7 n ARG 62 Ca 0.04 1.45 -0.03 0.00 -0.92 0.00 0.00 57.85 58.39 1wh7 n ARG 62 Cb 0.49 -2.16 0.07 0.00 0.45 0.00 0.00 32.46 31.32 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 0.43 0.02 -0.14 3.07 -1.98 1.70 115.11 118.22 1wh7 h GLN 63 Ca 0.37 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 59.08 1wh7 h GLN 63 Cb 0.60 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.07 1wh7 h GLN 63 CO -0.94 0.29 -0.01 0.28 0.09 0.00 0.00 178.83 178.53 1wh7 h VAL 64 N 0.44 1.15 0.56 1.86 2.07 1.00 0.89 116.25 124.22 1wh7 h VAL 64 Ca 0.25 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1wh7 h VAL 64 Cb 0.23 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1wh7 h VAL 64 CO -0.22 0.13 -0.29 0.25 0.02 0.00 0.00 177.57 177.46 1wh7 h LEU 65 N -0.25 -0.71 -0.44 2.57 5.85 0.20 1.57 115.31 124.09 1wh7 h LEU 65 Ca -0.00 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1wh7 h LEU 65 Cb 0.24 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.37 1wh7 h LEU 65 CO 0.00 -0.48 -0.28 0.50 -0.34 0.00 0.00 178.44 177.85 1wh7 h LYS 66 N -0.78 -0.18 -0.74 1.25 3.11 0.26 0.39 116.57 119.87 1wh7 h LYS 66 Ca -0.07 0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1wh7 h LYS 66 Cb 0.62 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.85 1wh7 h LYS 66 CO 0.10 -0.12 0.29 0.82 -2.81 0.00 0.00 179.45 177.74 1wh7 h ILE 67 N -0.19 1.25 -0.53 2.00 2.04 -0.56 -2.24 117.51 119.27 1wh7 h ILE 67 Ca 0.20 -0.79 0.10 0.00 1.00 0.00 0.00 64.86 65.37 1wh7 h ILE 67 Cb 0.51 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 1wh7 h ILE 67 CO -0.55 0.32 0.03 -0.25 0.00 0.00 0.00 178.15 177.71 1wh7 h TRP 68 N 1.06 0.03 0.06 1.37 7.01 0.52 0.22 115.95 126.23 1wh7 h TRP 68 Ca 0.25 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.30 1wh7 h TRP 68 Cb 0.21 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.31 1wh7 h TRP 68 CO 0.02 -0.10 -0.21 0.52 -2.79 0.00 0.00 178.44 175.88 1wh7 h MET 69 N 0.15 -0.35 -0.03 2.65 2.86 0.19 0.57 114.93 120.97 1wh7 h MET 69 Ca 0.27 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.94 1wh7 h MET 69 Cb 0.41 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1wh7 h MET 69 CO -0.42 -0.23 0.07 1.25 1.06 0.00 0.00 176.91 178.63 1wh7 h HIS 70 N -0.37 0.00 -0.53 -0.22 -0.00 -0.77 0.45 115.15 113.72 1wh7 h HIS 70 Ca 0.04 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.21 1wh7 h HIS 70 Cb 0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.70 1wh7 h HIS 70 CO -0.22 0.00 0.25 0.09 -0.00 0.00 0.00 177.93 178.05 1wh7 n ASN 71 N -3.40 3.70 0.15 3.26 3.02 0.67 -4.29 115.26 118.39 1wh7 n ASN 71 Ca -0.02 -2.85 0.00 0.00 -0.03 0.00 0.00 54.58 51.67 1wh7 n ASN 71 Cb 0.15 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.17 -1.21 -4.42 6.41 3.02 0.13 -4.06 115.26 114.95 1wh7 n ASN 72 Ca 0.30 0.55 -0.50 0.00 -0.03 0.00 0.00 54.58 54.90 1wh7 n ASN 72 Cb 1.10 1.30 -0.04 0.00 -0.61 0.00 0.00 39.78 41.52 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 -3.37 0.03 0.00 3.52 2.85 0.58 -0.74 118.16 121.04 1wh7 n LYS 73 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1wh7 n LYS 73 Cb 0.00 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 1wh7 n LYS 73 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1wh7 n ASN 74 N 1.90 0.00 -0.72 -5.58 2.85 -1.26 -4.87 115.26 107.58 1wh7 n ASN 74 Ca 0.18 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.74 1wh7 n ASN 74 Cb 0.22 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.20 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1wh7 n SER 75 N 2.56 -4.27 0.00 1.20 7.64 0.08 -5.09 113.62 115.75 1wh7 n SER 75 Ca 0.00 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.42 1wh7 n SER 75 Cb 0.00 -2.34 0.00 0.00 -1.01 0.00 0.00 64.21 60.86 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 -3.38 -0.12 2.41 0.23 0.00 -1.26 -4.95 105.19 98.12 1wh7 n GLY 76 Ca -0.02 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 2.54 -3.74 1.61 -0.04 -1.26 -4.74 135.00 129.37 1wh7 n PRO 77 Ca 0.00 -1.58 -0.12 0.00 -0.04 0.00 0.00 63.50 61.75 1wh7 n PRO 77 Cb 0.00 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 30.88 1wh7 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh7 s SER 78 N 2.75 -0.36 -0.52 3.54 0.15 -1.26 -5.12 113.70 112.89 1wh7 s SER 78 Ca 0.52 0.68 -0.10 0.00 0.70 0.00 0.00 55.95 57.75 1wh7 s SER 78 Cb 0.16 0.64 0.13 0.00 -1.71 0.00 0.00 66.02 65.23 1wh7 s SER 78 CO -0.04 -0.14 0.40 -0.44 1.20 0.00 0.00 173.24 174.23 1wh7 s SER 79 N 0.62 5.80 0.00 5.45 0.01 -1.26 -5.04 113.70 119.28 1wh7 s SER 79 Ca -0.04 -2.04 0.00 0.00 1.31 0.00 0.00 55.95 55.18 1wh7 s SER 79 Cb -0.05 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.14 1wh7 s SER 79 CO -0.04 -0.68 0.00 0.61 0.41 0.00 0.00 173.24 173.55