#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 -2.24 -4.62 1.61 2.88 -1.26 -5.12 113.62 104.87 1wh7 n SER 2 Ca 0.00 -1.73 -0.43 0.00 -1.33 0.00 0.00 58.87 55.38 1wh7 n SER 2 Cb 0.00 1.14 -0.03 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.91 6.07 0.00 -3.46 0.15 -1.26 -4.95 113.70 111.16 1wh7 s SER 3 Ca 0.26 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.62 1wh7 s SER 3 Cb 0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wh7 s SER 3 CO -0.09 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.46 1wh7 n GLY 4 N 5.08 0.62 2.80 9.45 0.00 -1.26 -5.09 105.19 116.80 1wh7 n GLY 4 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 1wh7 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh7 s SER 5 N -1.00 -1.32 0.48 1.61 0.15 -1.26 -5.13 113.70 107.23 1wh7 s SER 5 Ca 0.00 -1.67 0.00 0.00 0.70 0.00 0.00 55.95 54.98 1wh7 s SER 5 Cb 0.00 1.80 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1wh7 s SER 5 CO 0.00 -0.07 0.00 -1.20 1.20 0.00 0.00 173.24 173.17 1wh7 n SER 6 N 3.14 -7.54 0.00 5.45 7.64 -1.26 -5.05 113.62 116.00 1wh7 n SER 6 Ca 0.18 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1wh7 n SER 6 Cb 0.56 -4.48 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 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 -4.13 0.52 3.35 0.23 0.00 -1.26 -5.17 105.19 98.73 1wh7 n GLY 7 Ca -0.05 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 -0.33 -0.30 1.61 0.15 -1.26 -5.13 113.70 108.43 1wh7 s SER 8 Ca 0.00 0.47 -0.02 0.00 0.70 0.00 0.00 55.95 57.10 1wh7 s SER 8 Cb 0.00 1.35 0.10 0.00 -1.71 0.00 0.00 66.02 65.76 1wh7 s SER 8 CO 0.00 -0.07 0.11 0.20 1.20 0.00 0.00 173.24 174.69 1wh7 s ASN 9 N 2.11 3.81 0.87 5.45 -0.87 -1.26 -5.13 114.94 119.91 1wh7 s ASN 9 Ca -0.02 -1.51 -0.12 0.00 -1.57 0.00 0.00 52.86 49.64 1wh7 s ASN 9 Cb -0.03 -0.64 0.11 0.00 -0.02 0.00 0.00 41.25 40.67 1wh7 s ASN 9 CO -0.16 -0.42 1.12 -2.16 -2.57 0.00 0.00 177.10 172.91 1wh7 s PRO 10 N 1.81 1.49 -0.18 -0.60 0.04 -1.26 -5.09 135.00 131.20 1wh7 s PRO 10 Ca 0.10 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.26 1wh7 s PRO 10 Cb -0.17 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.64 1wh7 s PRO 10 CO -0.30 -1.98 1.04 -1.12 0.04 0.00 0.00 177.00 174.67 1wh7 s SER 11 N -3.98 -0.34 -0.28 6.66 0.01 -1.26 -5.18 113.70 109.33 1wh7 s SER 11 Ca 0.63 0.41 -0.24 0.00 1.31 0.00 0.00 55.95 58.06 1wh7 s SER 11 Cb -0.15 0.33 0.12 0.00 0.21 0.00 0.00 66.02 66.54 1wh7 s SER 11 CO 0.54 -0.29 1.03 -0.55 0.41 0.00 0.00 173.24 174.38 1wh7 s SER 12 N -0.95 -0.45 0.00 2.44 0.15 -1.26 -5.18 113.70 108.45 1wh7 s SER 12 Ca -0.00 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.50 1wh7 s SER 12 Cb -0.01 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1wh7 s SER 12 CO -0.00 -0.15 0.00 -0.24 1.20 0.00 0.00 173.24 174.05 1wh7 n SER 13 N 2.30 0.00 0.00 5.45 2.88 -1.26 -5.19 113.62 117.81 1wh7 n SER 13 Ca -0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1wh7 n SER 13 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.15 4.57 1.36 0.46 0.00 -1.26 -5.15 105.19 105.02 1wh7 n GLY 14 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.75 -2.62 3.70 -0.02 0.00 -1.26 -5.07 105.19 98.18 1wh7 n GLY 15 Ca 0.00 -1.46 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 1wh7 n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wh7 s THR 16 N -1.76 3.22 0.20 2.61 2.01 -1.26 -5.14 115.64 115.52 1wh7 s THR 16 Ca 0.28 -1.78 -0.07 0.00 0.31 0.00 0.00 61.69 60.44 1wh7 s THR 16 Cb -0.03 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1wh7 s THR 16 CO 0.21 -0.26 0.38 1.07 -0.69 0.00 0.00 174.62 175.33 1wh7 n THR 17 N -1.05 0.00 -0.97 -0.82 5.66 -1.26 -5.14 114.28 110.71 1wh7 n THR 17 Ca -0.05 -0.56 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 1wh7 n THR 17 Cb 0.60 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.90 1wh7 n THR 17 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1wh7 n LYS 18 N -0.28 -2.73 -0.97 1.09 4.76 -1.26 -4.88 118.16 113.90 1wh7 n LYS 18 Ca -0.04 1.99 -0.32 0.00 -2.87 0.00 0.00 58.31 57.07 1wh7 n LYS 18 Cb 0.30 -2.21 0.02 0.00 -1.84 0.00 0.00 35.03 31.30 1wh7 n LYS 18 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 1wh7 n ARG 19 N -0.29 0.00 -2.15 1.97 -4.01 -1.26 -4.78 116.66 106.14 1wh7 n ARG 19 Ca 0.00 0.00 -0.41 0.00 -1.04 0.00 0.00 57.85 56.40 1wh7 n ARG 19 Cb 0.00 -0.85 -0.03 0.00 -3.04 0.00 0.00 32.46 28.54 1wh7 n ARG 19 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 1wh7 s PHE 20 N -1.71 3.19 0.21 2.89 0.08 -1.26 -5.02 117.98 116.35 1wh7 s PHE 20 Ca 0.42 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.59 1wh7 s PHE 20 Cb -0.30 -3.69 0.02 0.00 -0.57 0.00 0.00 43.02 38.48 1wh7 s PHE 20 CO 0.63 -2.23 0.17 -2.13 -0.10 0.00 0.00 175.22 171.56 1wh7 n ARG 21 N 2.83 1.15 -1.47 0.44 0.63 -1.26 -5.08 116.66 113.90 1wh7 n ARG 21 Ca 0.07 -1.27 -0.37 0.00 -0.92 0.00 0.00 57.85 55.36 1wh7 n ARG 21 Cb 0.42 0.11 0.05 0.00 0.45 0.00 0.00 32.46 33.49 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1wh7 n THR 22 N -1.04 2.72 -4.18 5.15 -2.24 -1.26 -4.99 114.28 108.45 1wh7 n THR 22 Ca -0.00 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.01 1wh7 n THR 22 Cb 0.23 -0.87 -0.17 0.00 -2.10 0.00 0.00 70.33 67.43 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 -2.51 2.20 0.42 -0.78 2.47 -1.26 -5.13 119.74 115.15 1wh7 s LYS 23 Ca 0.71 -0.53 0.05 0.00 -1.56 0.00 0.00 55.97 54.64 1wh7 s LYS 23 Cb -0.41 -1.98 -0.06 0.00 -1.46 0.00 0.00 37.83 33.93 1wh7 s LYS 23 CO 0.52 -0.17 0.02 -0.06 0.16 0.00 0.00 175.35 175.82 1wh7 s PHE 24 N 1.32 2.25 0.10 4.03 0.08 -1.26 -5.15 117.98 119.34 1wh7 s PHE 24 Ca 0.01 -0.81 0.02 0.00 0.12 0.00 0.00 56.93 56.26 1wh7 s PHE 24 Cb -0.14 -1.63 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1wh7 s PHE 24 CO -0.07 0.29 0.21 -0.08 -0.10 0.00 0.00 175.22 175.47 1wh7 s THR 25 N -2.86 5.19 0.18 0.64 -1.32 -1.26 -4.96 115.64 111.24 1wh7 s THR 25 Ca 0.28 -0.58 -0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1wh7 s THR 25 Cb 0.08 -3.58 0.02 0.00 -1.51 0.00 0.00 72.50 67.51 1wh7 s THR 25 CO 0.14 0.05 1.52 0.00 -2.21 0.00 0.00 174.62 174.12 1wh7 n ALA 26 N 0.02 -0.48 -0.35 11.08 0.00 -1.26 0.06 120.51 129.57 1wh7 n ALA 26 Ca -0.06 0.88 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 1wh7 n ALA 26 Cb 0.52 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.30 0.12 0.00 2.13 -1.26 0.64 120.64 116.68 1wh7 n GLU 27 Ca 0.04 1.32 -0.15 0.00 0.66 0.00 0.00 57.16 59.03 1wh7 n GLU 27 Cb 0.30 -1.95 -0.08 0.00 0.27 0.00 0.00 31.44 29.98 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 -0.66 -0.76 5.31 4.20 -0.77 0.14 115.11 122.57 1wh7 h GLN 28 Ca 0.22 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.14 1wh7 h GLN 28 Cb 0.43 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.25 1wh7 h GLN 28 CO -0.84 -0.44 0.19 0.87 -0.67 0.00 0.00 178.83 177.95 1wh7 h LYS 29 N -0.69 0.27 0.62 1.46 6.56 0.47 0.31 116.57 125.56 1wh7 h LYS 29 Ca 0.01 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1wh7 h LYS 29 Cb 0.70 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.29 1wh7 h LYS 29 CO -0.24 0.18 -0.48 0.93 -2.06 0.00 0.00 179.45 177.77 1wh7 h GLU 30 N 0.27 -1.02 -0.69 3.15 5.08 0.14 0.57 114.58 122.09 1wh7 h GLU 30 Ca 0.44 0.07 0.13 0.00 -1.00 0.00 0.00 59.36 59.00 1wh7 h GLU 30 Cb 0.76 0.23 -0.13 0.00 0.50 0.00 0.00 28.75 30.11 1wh7 h GLU 30 CO -0.53 -0.68 -0.26 0.87 -1.00 0.00 0.00 179.01 177.41 1wh7 h LYS 31 N -1.06 -0.07 -0.09 2.33 6.56 0.33 0.11 116.57 124.70 1wh7 h LYS 31 Ca -0.08 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.53 1wh7 h LYS 31 Cb 0.88 0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1wh7 h LYS 31 CO 0.02 -0.05 -0.01 0.52 -2.06 0.00 0.00 179.45 177.87 1wh7 h MET 32 N -0.07 0.01 -0.93 3.15 2.86 -0.63 1.47 114.93 120.79 1wh7 h MET 32 Ca 0.30 -0.00 0.27 0.00 -2.06 0.00 0.00 59.70 58.21 1wh7 h MET 32 Cb 0.55 -0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.05 1wh7 h MET 32 CO -0.74 0.01 0.21 -0.07 1.06 0.00 0.00 176.91 177.37 1wh7 h LEU 33 N 0.01 -0.12 0.00 1.22 -0.00 0.27 0.71 115.31 117.41 1wh7 h LEU 33 Ca 0.04 0.23 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1wh7 h LEU 33 Cb 0.06 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 41.05 1wh7 h LEU 33 CO -0.08 -0.26 -0.18 0.00 -0.00 0.00 0.00 178.44 177.92 1wh7 h ALA 34 N 1.87 0.02 -0.88 1.53 0.00 -0.59 -3.00 119.26 118.21 1wh7 h ALA 34 Ca 0.60 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.45 1wh7 h ALA 34 Cb 1.29 0.15 -0.17 0.00 0.00 0.00 0.00 17.79 19.07 1wh7 h ALA 34 CO -0.76 0.15 -0.14 0.34 0.00 0.00 0.00 179.25 178.85 1wh7 n PHE 35 N -4.70 0.40 0.26 0.00 7.35 0.50 0.41 117.46 121.67 1wh7 n PHE 35 Ca -0.05 1.07 -0.15 0.00 -0.76 0.00 0.00 57.45 57.56 1wh7 n PHE 35 Cb 0.18 -1.06 -0.08 0.00 0.35 0.00 0.00 39.48 38.86 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 1.76 -0.65 -0.86 3.13 0.00 0.26 0.29 119.26 123.19 1wh7 h ALA 36 Ca 0.46 -0.18 0.25 0.00 0.00 0.00 0.00 54.91 55.43 1wh7 h ALA 36 Cb 0.80 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1wh7 h ALA 36 CO -0.88 -0.76 0.81 0.93 0.00 0.00 0.00 179.25 179.35 1wh7 h GLU 37 N -0.85 0.00 0.03 0.00 4.39 0.10 1.64 114.58 119.89 1wh7 h GLU 37 Ca -0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1wh7 h GLU 37 Cb 0.58 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1wh7 h GLU 37 CO 0.11 0.00 -0.48 0.00 -1.16 0.00 0.00 179.01 177.48 1wh7 h ARG 38 N 0.00 0.07 0.00 2.33 3.08 0.10 -3.26 114.38 116.70 1wh7 h ARG 38 Ca 0.41 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1wh7 h ARG 38 Cb 2.03 0.05 0.00 0.00 0.08 0.00 0.00 29.97 32.13 1wh7 h ARG 38 CO -0.00 1.06 0.00 1.28 -1.07 0.00 0.00 179.97 181.24 1wh7 n LEU 39 N -4.44 0.00 -0.60 3.04 4.77 0.11 -4.84 117.00 115.04 1wh7 n LEU 39 Ca -0.16 0.17 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1wh7 n LEU 39 Cb 0.61 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1wh7 n LEU 39 CO 0.35 -0.03 -0.07 0.61 -1.33 0.00 0.00 177.39 176.91 1wh7 n GLY 40 N 0.68 0.52 2.30 -0.72 0.00 0.52 -2.42 105.19 106.06 1wh7 n GLY 40 Ca 0.15 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.36 -0.56 -3.76 1.61 7.02 0.60 -4.95 117.44 114.05 1wh7 n TRP 41 Ca -0.07 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.28 1wh7 n TRP 41 Cb 0.37 -2.94 -0.13 0.00 -2.42 0.00 0.00 31.31 26.19 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 -4.45 0.21 -0.33 -0.99 1.70 -1.02 -4.78 118.95 109.29 1wh7 s ARG 42 Ca 0.00 0.42 -0.09 0.00 -0.47 0.00 0.00 55.73 55.59 1wh7 s ARG 42 Cb 0.00 -0.03 0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1wh7 s ARG 42 CO 0.00 -0.11 0.14 0.42 -1.08 0.00 0.00 175.30 174.67 1wh7 s ILE 43 N 0.80 4.29 0.39 4.99 1.01 -1.26 -4.70 121.20 126.72 1wh7 s ILE 43 Ca -0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.81 1wh7 s ILE 43 Cb -0.07 -3.30 0.08 0.00 0.01 0.00 0.00 42.46 39.18 1wh7 s ILE 43 CO -0.05 -0.07 0.53 0.00 0.00 0.00 0.00 174.94 175.36 1wh7 n GLN 44 N 4.93 -0.06 0.17 2.79 1.13 -1.26 -4.89 117.38 120.19 1wh7 n GLN 44 Ca -0.13 -1.18 0.01 0.00 -1.94 0.00 0.00 57.00 53.77 1wh7 n GLN 44 Cb 0.47 -0.44 0.29 0.00 0.11 0.00 0.00 30.24 30.68 1wh7 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1wh7 h LYS 45 N 0.00 0.00 0.21 -1.09 3.64 -2.00 -2.18 116.57 115.15 1wh7 h LYS 45 Ca -0.17 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.88 1wh7 h LYS 45 Cb 0.57 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1wh7 h LYS 45 CO 0.16 0.46 -1.50 1.12 -2.27 0.00 0.00 179.45 177.42 1wh7 h HIS 46 N 0.00 0.82 0.00 1.91 2.07 -2.02 -3.20 115.15 114.72 1wh7 h HIS 46 Ca -0.00 -0.60 -0.01 0.00 -2.85 0.00 0.00 60.37 56.91 1wh7 h HIS 46 Cb 0.82 -0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.77 1wh7 h HIS 46 CO 0.00 1.52 -0.03 -0.44 -3.07 0.00 0.00 177.93 175.91 1wh7 h ASP 47 N 0.12 0.00 -1.56 3.10 5.19 -1.87 -2.06 116.42 119.34 1wh7 h ASP 47 Ca -0.25 0.00 0.45 0.00 -0.62 0.00 0.00 57.03 56.61 1wh7 h ASP 47 Cb 2.12 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 41.56 1wh7 h ASP 47 CO 0.24 0.03 1.23 -0.78 -3.12 0.00 0.00 179.24 176.84 1wh7 h ASP 48 N 0.00 0.00 0.00 6.45 3.58 -1.39 0.40 116.42 125.46 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 0.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1wh7 h ASP 48 CO 0.00 0.00 -0.01 0.58 -2.88 0.00 0.00 179.24 176.93 1wh7 h VAL 49 N 0.00 0.00 -1.44 2.25 2.07 -1.60 -2.95 116.25 114.58 1wh7 h VAL 49 Ca 0.74 -0.74 0.44 0.00 0.82 0.00 0.00 66.70 67.96 1wh7 h VAL 49 Cb 3.19 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.86 1wh7 h VAL 49 CO -0.01 0.00 0.97 0.00 0.02 0.00 0.00 177.57 178.56 1wh7 h ALA 50 N -1.26 3.03 -0.10 1.67 0.00 -0.75 1.60 119.26 123.44 1wh7 h ALA 50 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1wh7 h ALA 50 Cb 0.01 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1wh7 h ALA 50 CO 0.00 -1.58 -0.02 0.28 0.00 0.00 0.00 179.25 177.93 1wh7 h VAL 51 N 0.08 1.28 -0.49 0.00 2.07 -0.47 0.20 116.25 118.93 1wh7 h VAL 51 Ca 0.79 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1wh7 h VAL 51 Cb 2.73 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 1wh7 h VAL 51 CO -0.25 0.26 0.16 1.05 0.02 0.00 0.00 177.57 178.82 1wh7 h GLU 52 N -0.11 0.75 -0.02 1.57 4.11 0.23 0.12 114.58 121.22 1wh7 h GLU 52 Ca 0.03 -0.15 -0.06 0.00 0.07 0.00 0.00 59.36 59.24 1wh7 h GLU 52 Cb 0.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1wh7 h GLU 52 CO 0.01 0.69 -0.28 1.96 0.07 0.00 0.00 179.01 181.46 1wh7 h GLN 53 N 0.65 0.04 0.01 1.06 4.20 -0.20 -0.91 115.11 119.97 1wh7 h GLN 53 Ca 0.16 -0.01 -0.23 0.00 0.06 0.00 0.00 58.65 58.62 1wh7 h GLN 53 Cb 0.25 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1wh7 h GLN 53 CO -0.01 0.32 -0.98 0.35 -0.67 0.00 0.00 178.83 177.85 1wh7 h PHE 54 N 0.04 0.64 -0.44 2.96 3.57 -0.01 -3.22 116.94 120.49 1wh7 h PHE 54 Ca 0.00 -0.36 -0.11 0.00 3.53 0.00 0.00 57.97 61.04 1wh7 h PHE 54 Cb 0.52 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wh7 h PHE 54 CO 0.00 1.19 -0.15 0.00 -2.23 0.00 0.00 178.31 177.12 1wh7 h ALA 56 N 0.85 1.49 -0.26 0.00 0.00 -1.18 1.49 119.26 121.64 1wh7 h ALA 56 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wh7 h ALA 56 Cb 0.70 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wh7 h ALA 56 CO 0.05 -0.39 0.00 -1.91 0.00 0.00 0.00 179.25 177.00 1wh7 n GLU 57 N -3.07 0.00 0.09 0.00 2.13 -0.72 -4.73 120.64 114.34 1wh7 n GLU 57 Ca -0.00 0.09 -0.13 0.00 0.66 0.00 0.00 57.16 57.78 1wh7 n GLU 57 Cb 0.42 -0.55 -0.08 0.00 0.27 0.00 0.00 31.44 31.50 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 0.93 0.00 6.31 1.35 -0.86 -3.48 112.91 117.17 1wh7 h THR 58 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1wh7 h THR 58 Cb 0.00 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1wh7 h THR 58 CO 0.00 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1wh7 n GLY 59 N -0.30 0.92 3.75 5.82 0.00 0.51 -5.02 105.19 110.86 1wh7 n GLY 59 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 3.35 0.57 1.61 1.01 -1.26 -4.97 120.40 118.71 1wh7 s VAL 60 Ca 0.00 1.23 -0.15 0.00 0.00 0.00 0.00 61.98 63.06 1wh7 s VAL 60 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1wh7 s VAL 60 CO 0.00 0.24 1.02 -0.13 0.00 0.00 0.00 175.10 176.23 1wh7 s ARG 61 N -0.85 3.62 0.11 2.72 0.52 -1.26 -4.34 118.95 119.46 1wh7 s ARG 61 Ca 0.50 0.97 -0.21 0.00 -0.52 0.00 0.00 55.73 56.47 1wh7 s ARG 61 Cb -0.34 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.95 1wh7 s ARG 61 CO 0.41 -0.55 1.72 -0.09 0.02 0.00 0.00 175.30 176.81 1wh7 h ARG 62 N 0.37 0.00 -0.74 3.54 2.43 -1.95 1.59 114.38 119.63 1wh7 h ARG 62 Ca -0.46 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1wh7 h ARG 62 Cb 1.20 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.71 1wh7 h ARG 62 CO 0.60 0.00 0.41 -0.56 -1.51 0.00 0.00 179.97 178.92 1wh7 h GLN 63 N 0.01 1.03 0.33 0.20 3.07 -1.98 0.52 115.11 118.29 1wh7 h GLN 63 Ca 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 58.65 58.66 1wh7 h GLN 63 Cb 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.43 1wh7 h GLN 63 CO -0.10 0.76 -0.16 0.28 0.09 0.00 0.00 178.83 179.70 1wh7 h VAL 64 N 1.02 0.61 -0.93 1.86 2.07 -1.80 0.29 116.25 119.36 1wh7 h VAL 64 Ca 0.26 -0.65 0.13 0.00 0.82 0.00 0.00 66.70 67.27 1wh7 h VAL 64 Cb 0.02 0.91 -0.09 0.00 -1.52 0.00 0.00 31.29 30.61 1wh7 h VAL 64 CO -0.04 0.11 0.55 0.25 0.02 0.00 0.00 177.57 178.46 1wh7 h LEU 65 N -0.84 0.76 0.38 2.57 6.46 0.24 1.36 115.31 126.25 1wh7 h LEU 65 Ca -0.05 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1wh7 h LEU 65 Cb 0.52 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1wh7 h LEU 65 CO 0.07 0.37 -0.18 0.50 -0.62 0.00 0.00 178.44 178.58 1wh7 h LYS 66 N 0.83 -0.49 -0.02 1.25 3.64 0.14 0.36 116.57 122.29 1wh7 h LYS 66 Ca 0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1wh7 h LYS 66 Cb 0.57 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1wh7 h LYS 66 CO -0.30 -0.20 0.01 0.82 -2.27 0.00 0.00 179.45 177.50 1wh7 h ILE 67 N -0.76 0.73 -0.10 2.00 2.04 0.52 0.25 117.51 122.19 1wh7 h ILE 67 Ca -0.05 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.57 1wh7 h ILE 67 Cb 0.52 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1wh7 h ILE 67 CO 0.09 0.00 -0.88 -0.25 0.00 0.00 0.00 178.15 177.11 1wh7 h TRP 68 N 0.00 1.06 -0.52 1.37 7.01 0.22 0.43 115.95 125.53 1wh7 h TRP 68 Ca 0.01 -0.51 -0.13 0.00 2.11 0.00 0.00 58.89 60.37 1wh7 h TRP 68 Cb 0.04 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.93 1wh7 h TRP 68 CO 0.00 1.34 -0.17 0.52 -2.79 0.00 0.00 178.44 177.35 1wh7 h MET 69 N 0.49 1.02 -0.05 2.65 2.86 0.20 -2.33 114.93 119.77 1wh7 h MET 69 Ca -0.08 -0.41 -0.02 0.00 -2.06 0.00 0.00 59.70 57.12 1wh7 h MET 69 Cb 1.52 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.13 1wh7 h MET 69 CO 0.18 1.10 -0.06 1.25 1.06 0.00 0.00 176.91 180.44 1wh7 h HIS 70 N 0.89 0.15 -0.81 -0.22 -0.00 -0.62 0.19 115.15 114.73 1wh7 h HIS 70 Ca 0.13 -0.05 0.23 0.00 -0.00 0.00 0.00 60.37 60.68 1wh7 h HIS 70 Cb 0.75 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.09 1wh7 h HIS 70 CO 0.05 0.60 0.58 -0.91 -0.00 0.00 0.00 177.93 178.25 1wh7 h ASN 71 N -0.35 0.02 0.00 3.26 2.35 -0.88 0.25 115.58 120.23 1wh7 h ASN 71 Ca 0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1wh7 h ASN 71 Cb 0.58 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1wh7 h ASN 71 CO 0.01 0.01 -0.13 0.78 -1.65 0.00 0.00 177.43 176.45 1wh7 h ASN 72 N 0.02 0.00 -0.97 5.81 2.35 -1.18 -3.34 115.58 118.28 1wh7 h ASN 72 Ca 0.39 -0.09 0.31 0.00 -0.55 0.00 0.00 56.30 56.36 1wh7 h ASN 72 Cb 1.51 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 39.72 1wh7 h ASN 72 CO -0.01 0.61 0.31 0.50 -1.65 0.00 0.00 177.43 177.19 1wh7 h LYS 73 N -1.00 0.10 -1.20 0.81 3.64 0.20 -3.43 116.57 115.69 1wh7 h LYS 73 Ca -0.01 -0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.56 1wh7 h LYS 73 Cb 0.21 -0.02 -0.27 0.00 -0.41 0.00 0.00 32.23 31.74 1wh7 h LYS 73 CO -0.00 0.06 0.83 -0.80 -2.27 0.00 0.00 179.45 177.27 1wh7 s ASN 74 N -4.87 -0.13 0.00 4.20 0.01 0.79 -5.08 114.94 109.85 1wh7 s ASN 74 Ca -0.11 0.16 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1wh7 s ASN 74 Cb 0.30 0.13 0.00 0.00 0.41 0.00 0.00 41.25 42.09 1wh7 s ASN 74 CO 0.78 -0.11 0.00 -0.24 -1.51 0.00 0.00 177.10 176.02 1wh7 n SER 75 N 0.74 0.00 -2.46 -1.22 2.88 -1.26 -3.88 113.62 108.42 1wh7 n SER 75 Ca -0.04 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.40 1wh7 n SER 75 Cb 0.58 0.14 -0.03 0.00 -0.75 0.00 0.00 64.21 64.16 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 -0.90 3.76 3.22 0.46 0.00 -1.26 -5.04 105.19 105.43 1wh7 n GLY 76 Ca 0.00 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.38 2.27 -3.27 1.61 -0.04 -1.26 -4.74 135.00 129.20 1wh7 n PRO 77 Ca -0.02 -2.51 -0.05 0.00 -0.04 0.00 0.00 63.50 60.87 1wh7 n PRO 77 Cb 0.25 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.33 1wh7 n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wh7 s SER 78 N 4.68 -0.19 0.51 3.54 0.01 -1.26 -5.14 113.70 115.85 1wh7 s SER 78 Ca 0.56 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 57.62 1wh7 s SER 78 Cb 0.09 1.38 -0.14 0.00 0.21 0.00 0.00 66.02 67.56 1wh7 s SER 78 CO 0.06 -0.32 -0.01 -1.54 0.41 0.00 0.00 173.24 171.84 1wh7 n SER 79 N 5.38 -3.21 0.00 2.44 3.41 -1.26 -4.99 113.62 115.38 1wh7 n SER 79 Ca 0.00 0.68 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 1wh7 n SER 79 Cb 0.50 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49