#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 -0.65 -0.29 1.61 1.04 -1.26 -5.17 113.70 108.99 1wh7 s SER 2 Ca 0.00 1.14 -0.18 0.00 0.48 0.00 0.00 55.95 57.39 1wh7 s SER 2 Cb 0.00 1.11 0.14 0.00 0.10 0.00 0.00 66.02 67.37 1wh7 s SER 2 CO 0.00 -0.30 0.96 -0.94 0.98 0.00 0.00 173.24 173.94 1wh7 s SER 3 N -0.02 -0.53 0.00 7.02 1.04 -1.26 -5.03 113.70 114.92 1wh7 s SER 3 Ca -0.01 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.29 1wh7 s SER 3 Cb -0.04 1.16 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1wh7 s SER 3 CO 0.01 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1wh7 n GLY 4 N 3.50 2.69 3.62 7.32 0.00 -1.26 -5.09 105.19 115.96 1wh7 n GLY 4 Ca -0.18 -0.48 -0.57 0.00 0.00 0.00 0.00 46.02 44.79 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 2.08 -1.26 1.61 7.64 -1.26 -4.41 113.62 118.02 1wh7 n SER 5 Ca 0.00 0.91 0.06 0.00 1.01 0.00 0.00 58.87 60.85 1wh7 n SER 5 Cb 0.00 -1.12 -0.03 0.00 -1.01 0.00 0.00 64.21 62.05 1wh7 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh7 n SER 6 N 6.38 -6.82 0.00 6.43 2.88 -1.26 -4.99 113.62 116.24 1wh7 n SER 6 Ca 0.33 1.43 0.00 0.00 -1.33 0.00 0.00 58.87 59.29 1wh7 n SER 6 Cb 0.11 -4.09 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 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 -3.04 0.90 0.37 0.46 0.00 -1.26 -5.06 105.19 97.56 1wh7 n GLY 7 Ca -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1wh7 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh7 n SER 8 N 0.00 2.17 -3.98 1.61 2.88 -1.26 -4.98 113.62 110.06 1wh7 n SER 8 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 1wh7 n SER 8 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1wh7 n SER 8 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wh7 s ASN 9 N -4.14 4.58 -0.07 -3.46 -0.87 -1.26 -4.97 114.94 104.76 1wh7 s ASN 9 Ca 0.00 -1.97 -0.19 0.00 -1.57 0.00 0.00 52.86 49.13 1wh7 s ASN 9 Cb 0.00 -1.48 -0.15 0.00 -0.02 0.00 0.00 41.25 39.60 1wh7 s ASN 9 CO 0.00 -0.36 0.73 1.55 -2.57 0.00 0.00 177.10 176.44 1wh7 h PRO 10 N 7.71 -0.15 -4.31 -0.60 0.13 -2.02 -3.48 132.00 129.28 1wh7 h PRO 10 Ca -0.07 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.85 1wh7 h PRO 10 Cb 1.02 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.06 1wh7 h PRO 10 CO 0.50 0.30 -0.42 -1.12 -0.23 0.00 0.00 178.00 177.04 1wh7 s SER 11 N -5.59 0.31 -0.11 1.44 0.01 -1.26 -5.09 113.70 103.41 1wh7 s SER 11 Ca -0.12 -1.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.79 1wh7 s SER 11 Cb -0.00 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.68 1wh7 s SER 11 CO 0.44 -1.00 0.06 0.28 0.41 0.00 0.00 173.24 173.43 1wh7 h SER 12 N 2.42 0.00 0.00 2.44 0.02 -1.97 -3.48 113.55 112.98 1wh7 h SER 12 Ca -0.31 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1wh7 h SER 12 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1wh7 h SER 12 CO 0.45 0.59 0.00 -1.20 -1.14 0.00 0.00 176.83 175.53 1wh7 n SER 13 N -4.74 -1.68 0.00 3.07 7.64 -1.26 -5.06 113.62 111.59 1wh7 n SER 13 Ca -0.02 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1wh7 n SER 13 Cb 0.08 1.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.99 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 0.31 3.49 0.00 0.23 0.00 -1.26 -3.88 105.19 104.08 1wh7 n GLY 14 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.75 3.78 -0.02 0.00 -1.26 -4.99 105.19 103.44 1wh7 n GLY 15 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 3.19 0.00 2.61 -1.32 -1.25 -4.92 115.64 113.95 1wh7 s THR 16 Ca 0.00 0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.87 1wh7 s THR 16 Cb 0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 1wh7 s THR 16 CO 0.00 -0.50 0.00 0.41 -2.21 0.00 0.00 174.62 172.32 1wh7 n THR 17 N -3.52 0.00 -2.15 5.08 -1.04 -1.26 -4.76 114.28 106.62 1wh7 n THR 17 Ca 0.08 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.85 1wh7 n THR 17 Cb 0.55 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.07 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 -2.03 3.48 -3.14 -2.82 2.85 -1.26 -4.86 118.16 110.37 1wh7 n LYS 18 Ca 0.00 -4.20 -0.16 0.00 -1.05 0.00 0.00 58.31 52.90 1wh7 n LYS 18 Cb 0.00 -2.24 -0.05 0.00 -0.65 0.00 0.00 35.03 32.09 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 0.92 0.05 -1.58 0.52 -1.26 -5.13 118.95 108.88 1wh7 s ARG 19 Ca 0.49 -1.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.34 1wh7 s ARG 19 Cb 0.40 -0.73 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 1wh7 s ARG 19 CO -0.01 -1.32 -0.21 -0.06 0.02 0.00 0.00 175.30 173.72 1wh7 s PHE 20 N 0.67 1.79 -0.78 -0.53 0.08 -1.26 -5.00 117.98 112.95 1wh7 s PHE 20 Ca 0.28 -0.38 -0.18 0.00 0.12 0.00 0.00 56.93 56.77 1wh7 s PHE 20 Cb -0.02 -1.06 0.14 0.00 -0.57 0.00 0.00 43.02 41.52 1wh7 s PHE 20 CO -0.11 0.11 0.89 0.50 -0.10 0.00 0.00 175.22 176.51 1wh7 s ARG 21 N -1.29 3.39 0.06 0.44 3.52 -1.26 -5.01 118.95 118.80 1wh7 s ARG 21 Ca 0.07 -1.74 0.10 0.00 -0.13 0.00 0.00 55.73 54.03 1wh7 s ARG 21 Cb -0.09 -4.54 -0.03 0.00 -1.56 0.00 0.00 34.95 28.73 1wh7 s ARG 21 CO 0.02 -1.58 -0.26 0.95 -0.81 0.00 0.00 175.30 173.62 1wh7 s THR 22 N 2.14 2.14 -0.13 4.11 -4.23 -1.26 -5.12 115.64 113.28 1wh7 s THR 22 Ca 0.21 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1wh7 s THR 22 Cb -0.13 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 71.88 1wh7 s THR 22 CO -0.03 0.29 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.45 1wh7 s LYS 23 N -1.42 2.19 0.41 3.99 2.47 -1.26 -5.13 119.74 120.99 1wh7 s LYS 23 Ca 0.12 -0.53 0.05 0.00 -1.56 0.00 0.00 55.97 54.05 1wh7 s LYS 23 Cb -0.10 -1.97 -0.06 0.00 -1.46 0.00 0.00 37.83 34.24 1wh7 s LYS 23 CO 0.03 -0.17 0.03 -0.06 0.16 0.00 0.00 175.35 175.34 1wh7 s PHE 24 N 1.30 2.21 0.12 4.03 0.08 -1.26 -5.15 117.98 119.31 1wh7 s PHE 24 Ca 0.00 -0.84 0.03 0.00 0.12 0.00 0.00 56.93 56.24 1wh7 s PHE 24 Cb -0.14 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 1wh7 s PHE 24 CO -0.07 0.24 0.19 -0.08 -0.10 0.00 0.00 175.22 175.41 1wh7 s THR 25 N -2.92 4.99 0.17 0.64 -1.32 -1.26 -4.97 115.64 110.98 1wh7 s THR 25 Ca 0.29 -0.72 -0.27 0.00 -1.21 0.00 0.00 61.69 59.78 1wh7 s THR 25 Cb 0.08 -3.50 0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1wh7 s THR 25 CO 0.14 0.00 1.52 0.00 -2.21 0.00 0.00 174.62 174.08 1wh7 n ALA 26 N -0.10 -0.50 -0.34 11.08 0.00 -1.26 -0.10 120.51 129.28 1wh7 n ALA 26 Ca -0.07 0.87 -0.07 0.00 0.00 0.00 0.00 53.44 54.17 1wh7 n ALA 26 Cb 0.53 -0.21 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1wh7 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh7 n GLU 27 N -5.29 -0.32 0.10 0.00 4.07 -1.26 0.46 120.64 118.40 1wh7 n GLU 27 Ca 0.04 1.26 -0.15 0.00 -0.06 0.00 0.00 57.16 58.25 1wh7 n GLU 27 Cb 0.29 -1.86 -0.08 0.00 -0.06 0.00 0.00 31.44 29.73 1wh7 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1wh7 h GLN 28 N 0.00 -0.64 -0.88 5.31 4.20 -0.90 0.55 115.11 122.76 1wh7 h GLN 28 Ca 0.17 0.04 0.22 0.00 0.06 0.00 0.00 58.65 59.14 1wh7 h GLN 28 Cb 0.38 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.18 1wh7 h GLN 28 CO -0.79 -0.43 0.34 0.87 -0.67 0.00 0.00 178.83 178.16 1wh7 h LYS 29 N -0.66 0.34 0.01 1.46 6.56 0.48 0.49 116.57 125.25 1wh7 h LYS 29 Ca 0.02 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1wh7 h LYS 29 Cb 0.70 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1wh7 h LYS 29 CO -0.28 0.23 -0.01 0.93 -2.06 0.00 0.00 179.45 178.26 1wh7 h GLU 30 N 0.35 -0.02 -0.04 3.15 5.08 0.16 0.49 114.58 123.76 1wh7 h GLU 30 Ca 0.54 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.94 1wh7 h GLU 30 Cb 1.03 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 1wh7 h GLU 30 CO -0.55 0.19 -0.21 0.87 -1.00 0.00 0.00 179.01 178.31 1wh7 h LYS 31 N -0.22 -0.30 -0.18 2.33 6.56 0.28 -2.17 116.57 122.87 1wh7 h LYS 31 Ca -0.00 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 1wh7 h LYS 31 Cb 0.21 0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.93 1wh7 h LYS 31 CO 0.00 -0.20 0.12 0.52 -2.06 0.00 0.00 179.45 177.83 1wh7 h MET 32 N -0.31 0.24 -0.97 3.15 2.86 -0.10 0.72 114.93 120.53 1wh7 h MET 32 Ca 0.07 -0.02 0.31 0.00 -2.06 0.00 0.00 59.70 58.01 1wh7 h MET 32 Cb 0.41 -0.05 -0.17 0.00 0.06 0.00 0.00 31.60 31.85 1wh7 h MET 32 CO -0.23 0.18 0.28 -0.07 1.06 0.00 0.00 176.91 178.13 1wh7 h LEU 33 N 0.23 -0.03 0.00 1.22 -0.00 0.50 0.62 115.31 117.85 1wh7 h LEU 33 Ca 0.07 0.24 -0.02 0.00 -0.00 0.00 0.00 57.88 58.17 1wh7 h LEU 33 Cb -0.01 0.33 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1wh7 h LEU 33 CO -0.01 -0.31 -0.25 0.00 -0.00 0.00 0.00 178.44 177.87 1wh7 h ALA 34 N 1.92 0.02 -0.85 1.53 0.00 -0.84 -3.09 119.26 117.96 1wh7 h ALA 34 Ca 0.67 -0.32 0.16 0.00 0.00 0.00 0.00 54.91 55.42 1wh7 h ALA 34 Cb 1.54 0.20 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1wh7 h ALA 34 CO -0.78 0.20 -0.24 0.34 0.00 0.00 0.00 179.25 178.77 1wh7 n PHE 35 N -4.68 0.23 -0.04 0.00 7.35 0.25 0.16 117.46 120.73 1wh7 n PHE 35 Ca -0.06 1.04 -0.11 0.00 -0.76 0.00 0.00 57.45 57.56 1wh7 n PHE 35 Cb 0.20 -0.94 -0.05 0.00 0.35 0.00 0.00 39.48 39.04 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 1.55 0.21 -0.78 3.13 0.00 0.03 -0.42 119.26 122.99 1wh7 h ALA 36 Ca 0.38 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.41 1wh7 h ALA 36 Cb 0.59 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1wh7 h ALA 36 CO -0.86 -0.23 0.54 0.93 0.00 0.00 0.00 179.25 179.63 1wh7 h GLU 37 N 0.14 0.14 0.01 0.00 4.39 0.16 1.58 114.58 120.99 1wh7 h GLU 37 Ca 0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1wh7 h GLU 37 Cb 0.11 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1wh7 h GLU 37 CO -0.01 0.09 -0.00 0.00 -1.16 0.00 0.00 179.01 177.93 1wh7 h ARG 38 N 0.14 -0.01 0.00 2.33 3.08 0.35 -3.13 114.38 117.15 1wh7 h ARG 38 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.43 1wh7 h ARG 38 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1wh7 h ARG 38 CO -0.06 0.77 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 1wh7 n LEU 39 N -4.71 0.00 -0.70 3.04 4.77 -0.25 -4.84 117.00 114.31 1wh7 n LEU 39 Ca -0.09 0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 56.02 1wh7 n LEU 39 Cb 0.38 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1wh7 n LEU 39 CO 0.33 -0.06 -0.08 0.61 -1.33 0.00 0.00 177.39 176.86 1wh7 n GLY 40 N 0.50 0.34 2.34 -0.72 0.00 0.45 -2.30 105.19 105.80 1wh7 n GLY 40 Ca 0.12 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.64 -0.30 -3.81 1.61 7.02 0.33 -4.95 117.44 113.71 1wh7 n TRP 41 Ca -0.08 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.28 1wh7 n TRP 41 Cb 0.46 -2.71 -0.11 0.00 -2.42 0.00 0.00 31.31 26.52 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 -3.86 0.34 -0.13 -0.99 1.70 -0.98 -4.36 118.95 110.68 1wh7 s ARG 42 Ca 0.00 0.10 -0.04 0.00 -0.47 0.00 0.00 55.73 55.32 1wh7 s ARG 42 Cb 0.00 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1wh7 s ARG 42 CO 0.00 -0.06 0.02 0.42 -1.08 0.00 0.00 175.30 174.59 1wh7 s ILE 43 N -0.35 4.41 0.06 4.99 1.01 -1.26 -4.62 121.20 125.44 1wh7 s ILE 43 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.42 1wh7 s ILE 43 Cb -0.03 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1wh7 s ILE 43 CO 0.01 0.55 0.05 0.00 0.00 0.00 0.00 174.94 175.55 1wh7 n GLN 44 N 2.77 1.38 0.00 2.79 6.02 -1.26 -4.97 117.38 124.10 1wh7 n GLN 44 Ca -0.18 -0.40 0.14 0.00 -0.01 0.00 0.00 57.00 56.55 1wh7 n GLN 44 Cb 0.53 0.04 0.67 0.00 1.02 0.00 0.00 30.24 32.50 1wh7 n GLN 44 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1wh7 n LYS 45 N -0.68 0.22 -0.08 -1.09 4.01 -1.26 -2.79 118.16 116.49 1wh7 n LYS 45 Ca -0.00 -0.01 -0.07 0.00 -0.51 0.00 0.00 58.31 57.72 1wh7 n LYS 45 Cb 0.07 -1.50 -0.14 0.00 -0.51 0.00 0.00 35.03 32.96 1wh7 n LYS 45 CO 0.00 0.00 0.00 -2.39 -1.11 0.00 0.00 177.40 173.90 1wh7 n HIS 46 N -1.38 0.00 0.34 2.13 1.44 -1.26 -4.24 115.22 112.25 1wh7 n HIS 46 Ca 0.10 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.95 1wh7 n HIS 46 Cb 0.29 -0.80 0.45 0.00 0.12 0.00 0.00 29.99 30.05 1wh7 n HIS 46 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1wh7 h ASP 47 N 0.00 0.00 -0.61 4.39 5.19 -1.92 -3.07 116.42 120.40 1wh7 h ASP 47 Ca -0.42 0.00 0.18 0.00 -0.62 0.00 0.00 57.03 56.17 1wh7 h ASP 47 Cb 1.93 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.41 1wh7 h ASP 47 CO 0.02 0.00 0.74 -0.78 -3.12 0.00 0.00 179.24 176.10 1wh7 h ASP 48 N 0.00 0.00 0.00 6.45 3.58 -1.69 0.93 116.42 125.69 1wh7 h ASP 48 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1wh7 h ASP 48 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1wh7 h ASP 48 CO 0.00 0.00 -0.20 0.58 -2.88 0.00 0.00 179.24 176.74 1wh7 h VAL 49 N 0.00 0.00 -1.01 2.25 2.07 -1.83 -3.17 116.25 114.56 1wh7 h VAL 49 Ca 0.29 -0.62 0.30 0.00 0.82 0.00 0.00 66.70 67.48 1wh7 h VAL 49 Cb 1.77 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.40 1wh7 h VAL 49 CO -0.00 0.00 0.59 0.00 0.02 0.00 0.00 177.57 178.17 1wh7 h ALA 50 N -1.38 1.92 -0.86 1.67 0.00 -1.38 1.63 119.26 120.87 1wh7 h ALA 50 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1wh7 h ALA 50 Cb 0.20 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1wh7 h ALA 50 CO 0.00 -0.48 0.50 0.28 0.00 0.00 0.00 179.25 179.55 1wh7 h VAL 51 N 0.41 1.24 -0.17 0.00 2.07 0.69 0.46 116.25 120.95 1wh7 h VAL 51 Ca 0.70 -0.55 -0.19 0.00 0.82 0.00 0.00 66.70 67.48 1wh7 h VAL 51 Cb 1.53 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1wh7 h VAL 51 CO -0.55 0.26 -0.64 1.05 0.02 0.00 0.00 177.57 177.71 1wh7 h GLU 52 N 1.19 0.74 -0.49 1.57 4.11 0.21 0.50 114.58 122.42 1wh7 h GLU 52 Ca 0.31 -0.56 -0.07 0.00 0.07 0.00 0.00 59.36 59.10 1wh7 h GLU 52 Cb -0.03 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1wh7 h GLU 52 CO -0.06 1.18 0.01 1.96 0.07 0.00 0.00 179.01 182.18 1wh7 h GLN 53 N 0.45 0.80 0.16 1.06 4.20 0.38 -2.24 115.11 119.92 1wh7 h GLN 53 Ca -0.03 -0.21 -0.21 0.00 0.06 0.00 0.00 58.65 58.26 1wh7 h GLN 53 Cb 1.27 -0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.98 1wh7 h GLN 53 CO 0.13 0.80 -0.93 0.35 -0.67 0.00 0.00 178.83 178.51 1wh7 h PHE 54 N 0.75 0.62 -0.04 2.96 3.04 -0.06 -3.01 116.94 121.21 1wh7 h PHE 54 Ca 0.15 -0.45 0.01 0.00 3.98 0.00 0.00 57.97 61.65 1wh7 h PHE 54 Cb 0.44 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 38.92 1wh7 h PHE 54 CO 0.02 1.36 0.24 0.00 -2.02 0.00 0.00 178.31 177.91 1wh7 h ALA 56 N 1.56 -0.02 0.15 0.00 0.00 -1.38 0.25 119.26 119.82 1wh7 h ALA 56 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1wh7 h ALA 56 Cb 0.49 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1wh7 h ALA 56 CO -0.00 -0.02 -0.47 1.49 0.00 0.00 0.00 179.25 180.25 1wh7 h GLU 57 N -1.00 -0.68 0.08 0.00 4.81 -1.06 -3.05 114.58 113.68 1wh7 h GLU 57 Ca -0.00 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1wh7 h GLU 57 Cb 0.24 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1wh7 h GLU 57 CO 0.00 -0.45 -0.04 1.79 -0.73 0.00 0.00 179.01 179.58 1wh7 h THR 58 N -0.70 1.15 0.00 0.32 1.35 -1.19 -3.48 112.91 110.36 1wh7 h THR 58 Ca -0.01 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1wh7 h THR 58 Cb 0.69 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1wh7 h THR 58 CO -0.23 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1wh7 n GLY 59 N -0.04 0.80 3.77 5.82 0.00 0.84 -5.01 105.19 111.36 1wh7 n GLY 59 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 3.34 0.03 1.61 1.01 -1.06 -4.91 120.40 118.42 1wh7 s VAL 60 Ca 0.00 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.87 1wh7 s VAL 60 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1wh7 s VAL 60 CO 0.00 0.12 0.80 -0.13 0.00 0.00 0.00 175.10 175.90 1wh7 s ARG 61 N -2.17 4.52 0.26 2.72 0.52 -1.26 -4.37 118.95 119.17 1wh7 s ARG 61 Ca 0.55 1.12 -0.09 0.00 -0.52 0.00 0.00 55.73 56.79 1wh7 s ARG 61 Cb -0.29 -3.39 0.41 0.00 0.52 0.00 0.00 34.95 32.21 1wh7 s ARG 61 CO 0.37 0.21 1.52 -2.13 0.02 0.00 0.00 175.30 175.29 1wh7 n ARG 62 N 3.04 -0.11 -0.28 3.54 0.00 -1.26 0.19 116.66 121.78 1wh7 n ARG 62 Ca -0.01 1.51 -0.01 0.00 -0.00 0.00 0.00 57.85 59.34 1wh7 n ARG 62 Cb 0.50 -2.26 0.11 0.00 0.00 0.00 0.00 32.46 30.81 1wh7 n ARG 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 1wh7 h GLN 63 N 0.00 0.89 -0.21 -0.14 3.07 -1.93 1.13 115.11 117.93 1wh7 h GLN 63 Ca 0.45 -0.05 -0.07 0.00 0.09 0.00 0.00 58.65 59.07 1wh7 h GLN 63 Cb 0.69 -0.20 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 1wh7 h GLN 63 CO -1.00 0.59 -0.12 0.28 0.09 0.00 0.00 178.83 178.67 1wh7 h VAL 64 N 0.92 1.31 0.31 1.86 2.07 0.17 0.20 116.25 123.10 1wh7 h VAL 64 Ca 0.33 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1wh7 h VAL 64 Cb 0.09 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1wh7 h VAL 64 CO -0.14 0.37 -0.15 0.25 0.02 0.00 0.00 177.57 177.92 1wh7 h LEU 65 N 0.16 -0.35 -0.42 2.57 6.46 0.24 1.26 115.31 125.22 1wh7 h LEU 65 Ca 0.04 -0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1wh7 h LEU 65 Cb 0.63 0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1wh7 h LEU 65 CO 0.04 -0.20 0.16 0.50 -0.62 0.00 0.00 178.44 178.32 1wh7 h LYS 66 N -0.48 0.33 0.00 1.25 3.64 0.13 0.96 116.57 122.39 1wh7 h LYS 66 Ca -0.04 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1wh7 h LYS 66 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1wh7 h LYS 66 CO 0.07 0.22 -0.25 0.82 -2.27 0.00 0.00 179.45 178.03 1wh7 h ILE 67 N 0.34 0.91 -0.02 2.00 2.04 -0.34 0.45 117.51 122.89 1wh7 h ILE 67 Ca 0.19 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1wh7 h ILE 67 Cb 0.16 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1wh7 h ILE 67 CO -0.18 0.25 -0.11 -0.25 0.00 0.00 0.00 178.15 177.86 1wh7 h TRP 68 N 0.00 0.15 0.20 1.37 7.01 0.41 -0.60 115.95 124.49 1wh7 h TRP 68 Ca -0.00 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 1wh7 h TRP 68 Cb 0.54 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.58 1wh7 h TRP 68 CO 0.00 0.76 -0.10 0.52 -2.79 0.00 0.00 178.44 176.83 1wh7 h MET 69 N -0.50 -0.26 -0.08 2.65 2.86 0.12 -1.43 114.93 118.29 1wh7 h MET 69 Ca -0.01 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1wh7 h MET 69 Cb 0.77 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1wh7 h MET 69 CO 0.02 0.01 -0.14 1.25 1.06 0.00 0.00 176.91 179.12 1wh7 h HIS 70 N -0.52 -0.35 -0.96 -0.22 -0.00 -0.21 0.23 115.15 113.12 1wh7 h HIS 70 Ca -0.03 0.02 0.18 0.00 -0.00 0.00 0.00 60.37 60.54 1wh7 h HIS 70 Cb 0.39 0.17 -0.10 0.00 -0.00 0.00 0.00 27.41 27.87 1wh7 h HIS 70 CO 0.01 -0.20 0.56 -0.91 -0.00 0.00 0.00 177.93 177.39 1wh7 h ASN 71 N -0.19 0.72 0.00 3.26 -0.26 -1.08 -2.78 115.58 115.25 1wh7 h ASN 71 Ca 0.07 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1wh7 h ASN 71 Cb 0.30 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1wh7 h ASN 71 CO -0.19 0.27 0.00 0.59 -1.06 0.00 0.00 177.43 177.03 1wh7 n ASN 72 N -4.79 0.00 -4.14 5.81 3.02 -0.31 -4.63 115.26 110.21 1wh7 n ASN 72 Ca 0.22 0.82 -0.35 0.00 -0.03 0.00 0.00 54.58 55.24 1wh7 n ASN 72 Cb 0.53 -0.47 0.07 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 -1.90 -0.10 -1.55 3.52 2.85 0.66 -4.58 118.16 117.07 1wh7 n LYS 73 Ca 0.00 -0.01 -0.26 0.00 -1.05 0.00 0.00 58.31 56.99 1wh7 n LYS 73 Cb 0.00 -1.29 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 1wh7 n LYS 73 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1wh7 n ASN 74 N 1.87 1.97 0.00 -5.58 0.23 -1.26 -4.83 115.26 107.66 1wh7 n ASN 74 Ca 0.01 -0.94 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 1wh7 n ASN 74 Cb 0.55 -1.59 0.00 0.00 -2.08 0.00 0.00 39.78 36.66 1wh7 n ASN 74 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1wh7 n SER 75 N 16.91 0.00 -0.21 0.53 2.88 -1.26 -4.86 113.62 127.61 1wh7 n SER 75 Ca 0.43 0.77 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1wh7 n SER 75 Cb 0.48 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.99 5.95 2.45 0.46 0.00 -1.26 -5.01 105.19 106.79 1wh7 n GLY 76 Ca 0.00 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.04 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 2.66 -1.34 1.61 -0.04 -1.26 -4.86 135.00 131.77 1wh7 n PRO 77 Ca 0.00 -1.68 0.17 0.00 -0.04 0.00 0.00 63.50 61.95 1wh7 n PRO 77 Cb 0.00 -2.53 -0.08 0.00 -0.04 0.00 0.00 33.50 30.85 1wh7 n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh7 n SER 78 N 3.81 -7.65 -3.33 3.54 7.64 -1.26 -4.92 113.62 111.46 1wh7 n SER 78 Ca 0.57 1.18 -0.29 0.00 1.01 0.00 0.00 58.87 61.34 1wh7 n SER 78 Cb 0.22 -4.50 0.03 0.00 -1.01 0.00 0.00 64.21 58.95 1wh7 n SER 78 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh7 n SER 79 N -4.19 -6.21 0.00 6.43 2.88 -1.26 -5.14 113.62 106.14 1wh7 n SER 79 Ca -0.07 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1wh7 n SER 79 Cb 0.63 -2.78 0.00 0.00 -0.75 0.00 0.00 64.21 61.31 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42