#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 -6.23 -3.64 1.61 2.88 -1.26 -5.08 113.62 101.90 1wh7 n SER 2 Ca 0.00 0.42 -0.06 0.00 -1.33 0.00 0.00 58.87 57.89 1wh7 n SER 2 Cb 0.00 -4.12 -0.07 0.00 -0.75 0.00 0.00 64.21 59.27 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 -2.09 -0.31 0.00 -3.46 0.15 -1.26 -5.18 113.70 101.55 1wh7 s SER 3 Ca 0.17 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1wh7 s SER 3 Cb -0.05 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wh7 s SER 3 CO 0.55 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.50 1wh7 n GLY 4 N 2.16 2.99 3.34 9.45 0.00 -1.26 -5.12 105.19 116.74 1wh7 n GLY 4 Ca -0.12 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.37 0.00 1.61 1.04 -1.26 -4.98 113.70 109.74 1wh7 s SER 5 Ca 0.00 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.80 1wh7 s SER 5 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1wh7 s SER 5 CO 0.00 -0.47 0.00 -1.20 0.98 0.00 0.00 173.24 172.55 1wh7 n SER 6 N 1.31 0.00 -3.68 7.02 7.64 -1.26 -4.75 113.62 119.90 1wh7 n SER 6 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1wh7 n SER 6 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 -3.42 2.90 0.23 0.00 -1.26 -4.74 105.19 98.90 1wh7 n GLY 7 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.81 -7.81 -4.00 1.61 2.88 -1.26 -5.04 113.62 99.18 1wh7 n SER 8 Ca 0.00 0.47 -0.22 0.00 -1.33 0.00 0.00 58.87 57.79 1wh7 n SER 8 Cb 0.00 -5.18 -0.16 0.00 -0.75 0.00 0.00 64.21 58.12 1wh7 n SER 8 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1wh7 s ASN 9 N -2.56 1.40 -0.25 -3.46 3.84 -1.26 -5.07 114.94 107.57 1wh7 s ASN 9 Ca 0.25 -0.22 -0.29 0.00 0.21 0.00 0.00 52.86 52.80 1wh7 s ASN 9 Cb -0.06 -0.48 -0.01 0.00 -0.55 0.00 0.00 41.25 40.14 1wh7 s ASN 9 CO 0.78 0.05 1.32 -2.16 -2.79 0.00 0.00 177.10 174.30 1wh7 s PRO 10 N 0.39 4.00 0.81 0.43 0.04 -1.26 -5.01 135.00 134.39 1wh7 s PRO 10 Ca -0.07 1.42 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1wh7 s PRO 10 Cb -0.11 -3.86 0.07 0.00 0.04 0.00 0.00 34.50 30.64 1wh7 s PRO 10 CO 0.01 -1.01 1.12 0.45 0.04 0.00 0.00 177.00 177.61 1wh7 s SER 11 N 2.69 4.48 0.77 6.66 0.15 -1.26 -5.00 113.70 122.19 1wh7 s SER 11 Ca 0.57 1.10 -0.15 0.00 0.70 0.00 0.00 55.95 58.17 1wh7 s SER 11 Cb -0.19 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.37 1wh7 s SER 11 CO 0.21 -1.95 0.87 -1.20 1.20 0.00 0.00 173.24 172.36 1wh7 n SER 12 N -3.40 -0.05 -3.62 5.45 7.64 -1.26 -5.01 113.62 113.37 1wh7 n SER 12 Ca 0.07 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1wh7 n SER 12 Cb 0.58 -1.37 -0.01 0.00 -1.01 0.00 0.00 64.21 62.40 1wh7 n SER 12 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh7 s SER 13 N -1.77 -0.08 0.00 6.43 1.04 -1.26 -5.17 113.70 112.89 1wh7 s SER 13 Ca 0.70 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1wh7 s SER 13 Cb -0.32 0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1wh7 s SER 13 CO 0.54 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.06 1wh7 n GLY 14 N -0.43 3.74 0.00 7.32 0.00 -1.26 -5.17 105.19 109.39 1wh7 n GLY 14 Ca -0.07 -0.70 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 -0.26 3.82 -0.02 0.00 -1.26 -5.13 105.19 102.34 1wh7 n GLY 15 Ca 0.00 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.51 3.51 -0.17 2.61 -1.32 -1.26 -5.08 115.64 111.43 1wh7 s THR 16 Ca 0.00 0.49 -0.32 0.00 -1.21 0.00 0.00 61.69 60.66 1wh7 s THR 16 Cb 0.00 -3.29 0.14 0.00 -1.51 0.00 0.00 72.50 67.84 1wh7 s THR 16 CO 0.00 -0.64 1.12 -0.89 -2.21 0.00 0.00 174.62 172.00 1wh7 s THR 17 N -3.15 0.00 0.00 5.08 2.01 -1.26 -5.09 115.64 113.23 1wh7 s THR 17 Ca 0.59 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1wh7 s THR 17 Cb -0.14 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.37 1wh7 s THR 17 CO 0.54 0.00 0.32 2.29 -0.69 0.00 0.00 174.62 177.09 1wh7 n LYS 18 N 0.23 0.00 -1.84 4.92 2.85 -1.26 -4.37 118.16 118.70 1wh7 n LYS 18 Ca -0.04 0.25 -0.42 0.00 -1.05 0.00 0.00 58.31 57.04 1wh7 n LYS 18 Cb 0.59 -0.82 -0.03 0.00 -0.65 0.00 0.00 35.03 34.11 1wh7 n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1wh7 s ARG 19 N -0.65 4.17 0.26 -1.58 1.04 -1.26 -4.99 118.95 115.95 1wh7 s ARG 19 Ca 0.00 2.46 0.04 0.00 -1.04 0.00 0.00 55.73 57.20 1wh7 s ARG 19 Cb 0.00 -3.26 -0.03 0.00 -2.04 0.00 0.00 34.95 29.62 1wh7 s ARG 19 CO 0.00 -0.70 0.40 0.12 -0.04 0.00 0.00 175.30 175.07 1wh7 s PHE 20 N 1.61 3.43 0.46 5.89 2.19 -1.26 -4.99 117.98 125.31 1wh7 s PHE 20 Ca 0.74 0.02 0.00 0.00 0.33 0.00 0.00 56.93 58.02 1wh7 s PHE 20 Cb -0.45 -1.65 0.00 0.00 -1.31 0.00 0.00 43.02 39.60 1wh7 s PHE 20 CO 0.32 0.35 0.00 0.54 1.83 0.00 0.00 175.22 178.27 1wh7 n ARG 21 N -1.49 -2.78 -3.49 10.12 1.74 -1.26 -4.83 116.66 114.67 1wh7 n ARG 21 Ca -0.08 2.14 -0.38 0.00 -0.77 0.00 0.00 57.85 58.77 1wh7 n ARG 21 Cb 0.57 -3.29 -0.06 0.00 -1.02 0.00 0.00 32.46 28.65 1wh7 n ARG 21 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wh7 s THR 22 N -3.41 5.13 -0.18 0.55 -4.23 -1.26 -5.07 115.64 107.17 1wh7 s THR 22 Ca 0.00 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 1wh7 s THR 22 Cb 0.00 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.17 1wh7 s THR 22 CO 0.00 0.50 -0.11 -1.59 -0.54 0.00 0.00 174.62 172.88 1wh7 s LYS 23 N -0.51 2.04 0.50 3.99 -2.85 -1.26 -5.12 119.74 116.52 1wh7 s LYS 23 Ca 0.22 -0.69 0.03 0.00 -1.00 0.00 0.00 55.97 54.53 1wh7 s LYS 23 Cb -0.16 -2.24 -0.01 0.00 -2.06 0.00 0.00 37.83 33.36 1wh7 s LYS 23 CO 0.11 -0.36 0.11 -0.06 0.10 0.00 0.00 175.35 175.25 1wh7 s PHE 24 N 1.46 1.97 0.14 1.78 0.08 -1.26 -5.15 117.98 117.01 1wh7 s PHE 24 Ca 0.01 -0.86 0.05 0.00 0.12 0.00 0.00 56.93 56.25 1wh7 s PHE 24 Cb -0.15 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1wh7 s PHE 24 CO -0.09 0.09 0.12 -0.08 -0.10 0.00 0.00 175.22 175.16 1wh7 s THR 25 N -2.80 4.47 0.18 0.64 -1.32 -1.26 -4.97 115.64 110.58 1wh7 s THR 25 Ca 0.19 -1.02 -0.27 0.00 -1.21 0.00 0.00 61.69 59.38 1wh7 s THR 25 Cb 0.02 -3.25 0.02 0.00 -1.51 0.00 0.00 72.50 67.78 1wh7 s THR 25 CO 0.11 -0.05 1.54 0.00 -2.21 0.00 0.00 174.62 174.01 1wh7 h ALA 26 N 2.62 -0.34 -0.89 11.08 0.00 -2.01 0.34 119.26 130.06 1wh7 h ALA 26 Ca -0.47 0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.71 1wh7 h ALA 26 Cb 1.19 1.27 -0.13 0.00 0.00 0.00 0.00 17.79 20.13 1wh7 h ALA 26 CO 0.64 -0.87 -0.43 -1.91 0.00 0.00 0.00 179.25 176.68 1wh7 n GLU 27 N -5.32 -0.30 0.17 0.00 4.07 -1.26 0.14 120.64 118.15 1wh7 n GLU 27 Ca 0.04 1.36 -0.15 0.00 -0.06 0.00 0.00 57.16 58.36 1wh7 n GLU 27 Cb 0.30 -2.01 -0.08 0.00 -0.06 0.00 0.00 31.44 29.59 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 -0.69 -0.66 5.31 4.20 -0.78 1.00 115.11 123.50 1wh7 h GLN 28 Ca 0.23 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.12 1wh7 h GLN 28 Cb 0.46 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.30 1wh7 h GLN 28 CO -0.86 -0.46 0.15 0.87 -0.67 0.00 0.00 178.83 177.86 1wh7 h LYS 29 N -0.71 0.26 0.70 1.46 6.56 0.72 0.33 116.57 125.89 1wh7 h LYS 29 Ca -0.00 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 1wh7 h LYS 29 Cb 0.69 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1wh7 h LYS 29 CO -0.16 0.17 -0.34 0.93 -2.06 0.00 0.00 179.45 177.99 1wh7 h GLU 30 N 0.27 -0.91 -0.56 3.15 5.08 0.21 0.24 114.58 122.05 1wh7 h GLU 30 Ca 0.35 0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.88 1wh7 h GLU 30 Cb 0.56 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 29.90 1wh7 h GLU 30 CO -0.44 -0.58 -0.28 0.87 -1.00 0.00 0.00 179.01 177.58 1wh7 h LYS 31 N -1.04 -0.13 0.05 2.33 6.56 0.18 -0.34 116.57 124.19 1wh7 h LYS 31 Ca -0.10 0.01 0.01 0.00 -1.06 0.00 0.00 60.65 59.51 1wh7 h LYS 31 Cb 0.75 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.42 1wh7 h LYS 31 CO 0.16 -0.08 -0.12 0.52 -2.06 0.00 0.00 179.45 177.87 1wh7 h MET 32 N -0.13 -0.22 -0.94 3.15 2.86 -0.27 1.13 114.93 120.51 1wh7 h MET 32 Ca 0.24 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.13 1wh7 h MET 32 Cb 0.52 0.05 -0.17 0.00 0.06 0.00 0.00 31.60 32.06 1wh7 h MET 32 CO -0.64 -0.15 -0.04 -0.07 1.06 0.00 0.00 176.91 177.07 1wh7 h LEU 33 N -0.23 -0.56 0.10 1.22 -0.00 0.11 0.83 115.31 116.78 1wh7 h LEU 33 Ca 0.03 0.27 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 1wh7 h LEU 33 Cb 0.25 0.49 0.00 0.00 -0.00 0.00 0.00 40.66 41.40 1wh7 h LEU 33 CO -0.08 -0.31 -0.05 0.00 -0.00 0.00 0.00 178.44 178.00 1wh7 h ALA 34 N 1.93 -0.13 -0.86 1.53 0.00 -0.67 -2.83 119.26 118.22 1wh7 h ALA 34 Ca 0.53 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.53 1wh7 h ALA 34 Cb 1.01 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 1wh7 h ALA 34 CO -0.90 -0.12 -0.25 0.34 0.00 0.00 0.00 179.25 178.32 1wh7 n PHE 35 N -4.85 0.22 -0.01 0.00 7.35 0.38 0.14 117.46 120.70 1wh7 n PHE 35 Ca -0.03 1.06 -0.11 0.00 -0.76 0.00 0.00 57.45 57.61 1wh7 n PHE 35 Cb 0.09 -0.95 -0.05 0.00 0.35 0.00 0.00 39.48 38.92 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 1.56 0.14 -0.88 3.13 0.00 0.51 -0.56 119.26 123.16 1wh7 h ALA 36 Ca 0.38 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.44 1wh7 h ALA 36 Cb 0.60 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1wh7 h ALA 36 CO -0.88 -0.33 0.59 0.93 0.00 0.00 0.00 179.25 179.56 1wh7 h GLU 37 N 0.09 0.38 -0.05 0.00 4.39 0.16 1.68 114.58 121.23 1wh7 h GLU 37 Ca 0.04 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1wh7 h GLU 37 Cb 0.07 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1wh7 h GLU 37 CO -0.01 0.25 -0.14 0.00 -1.16 0.00 0.00 179.01 177.95 1wh7 h ARG 38 N 0.39 0.18 0.00 2.33 3.08 0.36 -2.93 114.38 117.79 1wh7 h ARG 38 Ca 0.46 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1wh7 h ARG 38 Cb 1.15 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1wh7 h ARG 38 CO -0.16 0.75 0.00 1.28 -1.07 0.00 0.00 179.97 180.76 1wh7 n LEU 39 N -4.62 0.00 -0.52 3.04 4.77 -0.17 -4.86 117.00 114.65 1wh7 n LEU 39 Ca -0.08 0.28 -0.05 0.00 -0.03 0.00 0.00 56.01 56.13 1wh7 n LEU 39 Cb 0.39 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1wh7 n LEU 39 CO 0.37 -0.05 -0.06 0.61 -1.33 0.00 0.00 177.39 176.93 1wh7 n GLY 40 N 0.80 0.39 2.32 -0.72 0.00 0.49 -2.55 105.19 105.91 1wh7 n GLY 40 Ca 0.12 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.58 -0.49 -3.78 1.61 7.02 0.32 -4.94 117.44 113.60 1wh7 n TRP 41 Ca -0.06 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.30 1wh7 n TRP 41 Cb 0.41 -2.91 -0.12 0.00 -2.42 0.00 0.00 31.31 26.26 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 -4.28 0.23 -0.04 -0.99 1.70 -1.06 -4.76 118.95 109.75 1wh7 s ARG 42 Ca 0.00 0.35 0.01 0.00 -0.47 0.00 0.00 55.73 55.62 1wh7 s ARG 42 Cb 0.00 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.40 1wh7 s ARG 42 CO 0.00 -0.07 -0.05 0.42 -1.08 0.00 0.00 175.30 174.53 1wh7 s ILE 43 N 0.43 3.85 0.00 4.99 1.01 -1.26 -4.67 121.20 125.55 1wh7 s ILE 43 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1wh7 s ILE 43 Cb -0.04 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.80 1wh7 s ILE 43 CO -0.02 0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.44 1wh7 n GLN 44 N 1.93 2.76 0.01 2.79 6.02 -1.26 -5.00 117.38 124.63 1wh7 n GLN 44 Ca -0.17 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.77 1wh7 n GLN 44 Cb 0.53 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.67 1wh7 n GLN 44 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1wh7 h LYS 45 N 0.00 0.00 0.00 -1.09 3.64 -2.00 -2.97 116.57 114.16 1wh7 h LYS 45 Ca 0.00 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.25 1wh7 h LYS 45 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1wh7 h LYS 45 CO 0.00 0.48 -0.64 1.12 -2.27 0.00 0.00 179.45 178.14 1wh7 h HIS 46 N 0.00 0.00 0.00 1.91 2.07 -2.02 -3.12 115.15 113.99 1wh7 h HIS 46 Ca -0.21 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.23 1wh7 h HIS 46 Cb 1.84 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.81 1wh7 h HIS 46 CO 0.00 0.64 -0.53 -0.44 -3.07 0.00 0.00 177.93 174.53 1wh7 h ASP 47 N 0.00 0.00 -1.26 3.10 5.19 -1.95 -3.29 116.42 118.21 1wh7 h ASP 47 Ca -0.01 0.00 0.42 0.00 -0.62 0.00 0.00 57.03 56.82 1wh7 h ASP 47 Cb 1.48 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.86 1wh7 h ASP 47 CO 0.08 0.32 0.80 -0.78 -3.12 0.00 0.00 179.24 176.54 1wh7 h ASP 48 N 0.00 0.28 0.16 6.45 1.82 -1.45 1.32 116.42 125.00 1wh7 h ASP 48 Ca -0.02 0.15 -0.01 0.00 -0.39 0.00 0.00 57.03 56.76 1wh7 h ASP 48 Cb 1.27 0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.41 1wh7 h ASP 48 CO 0.04 -0.18 -0.08 0.58 -1.61 0.00 0.00 179.24 177.99 1wh7 h VAL 49 N 0.11 0.00 -1.21 2.25 2.07 -1.76 -2.70 116.25 115.02 1wh7 h VAL 49 Ca 0.80 -0.49 0.36 0.00 0.82 0.00 0.00 66.70 68.19 1wh7 h VAL 49 Cb 2.42 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 32.09 1wh7 h VAL 49 CO -0.45 0.00 0.80 0.00 0.02 0.00 0.00 177.57 177.94 1wh7 h ALA 50 N -1.41 2.62 -0.45 1.67 0.00 -1.10 1.40 119.26 121.98 1wh7 h ALA 50 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wh7 h ALA 50 Cb 0.16 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wh7 h ALA 50 CO 0.04 -1.11 0.16 0.28 0.00 0.00 0.00 179.25 178.62 1wh7 h VAL 51 N 0.20 1.21 -0.18 0.00 2.07 0.16 0.93 116.25 120.64 1wh7 h VAL 51 Ca 0.70 -0.68 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1wh7 h VAL 51 Cb 2.13 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1wh7 h VAL 51 CO -0.30 0.25 -0.30 1.05 0.02 0.00 0.00 177.57 178.29 1wh7 h GLU 52 N 0.59 0.36 -0.22 1.57 4.11 0.21 -1.79 114.58 119.41 1wh7 h GLU 52 Ca 0.15 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 1wh7 h GLU 52 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1wh7 h GLU 52 CO -0.01 0.63 -0.44 1.96 0.07 0.00 0.00 179.01 181.22 1wh7 h GLN 53 N 0.31 0.54 -0.09 1.06 4.20 -0.20 -1.19 115.11 119.75 1wh7 h GLN 53 Ca 0.04 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1wh7 h GLN 53 Cb 0.69 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 1wh7 h GLN 53 CO 0.05 0.88 -0.04 0.35 -0.67 0.00 0.00 178.83 179.40 1wh7 h PHE 54 N 0.44 0.21 -0.52 2.96 3.57 -0.48 -2.84 116.94 120.29 1wh7 h PHE 54 Ca 0.03 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wh7 h PHE 54 Cb 0.94 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 1wh7 h PHE 54 CO 0.04 0.54 0.33 0.00 -2.23 0.00 0.00 178.31 176.99 1wh7 h ALA 56 N 1.18 1.30 -0.11 0.00 0.00 -1.15 1.20 119.26 121.68 1wh7 h ALA 56 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1wh7 h ALA 56 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wh7 h ALA 56 CO -0.04 -0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.32 1wh7 n GLU 57 N -2.95 0.00 0.10 0.00 1.02 0.41 -4.75 120.64 114.48 1wh7 n GLU 57 Ca -0.02 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 1wh7 n GLU 57 Cb 0.33 -0.51 -0.08 0.00 -0.02 0.00 0.00 31.44 31.15 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1wh7 h THR 58 N 0.00 0.91 0.00 2.62 1.35 0.26 -3.48 112.91 114.58 1wh7 h THR 58 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1wh7 h THR 58 Cb 0.00 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1wh7 h THR 58 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1wh7 n GLY 59 N -0.36 1.05 3.77 5.82 0.00 0.41 -5.01 105.19 110.87 1wh7 n GLY 59 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 3.26 0.05 1.61 1.01 -1.26 -4.97 120.40 118.10 1wh7 s VAL 60 Ca 0.00 1.18 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1wh7 s VAL 60 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1wh7 s VAL 60 CO 0.00 0.21 0.87 -0.13 0.00 0.00 0.00 175.10 176.05 1wh7 s ARG 61 N -1.85 4.57 0.27 2.72 0.52 -1.26 -4.35 118.95 119.57 1wh7 s ARG 61 Ca 0.50 1.25 -0.05 0.00 -0.52 0.00 0.00 55.73 56.91 1wh7 s ARG 61 Cb -0.32 -3.40 0.51 0.00 0.52 0.00 0.00 34.95 32.26 1wh7 s ARG 61 CO 0.41 0.17 1.45 -2.13 0.02 0.00 0.00 175.30 175.22 1wh7 n ARG 62 N 3.14 -0.08 -0.14 3.54 0.63 -1.26 0.19 116.66 122.68 1wh7 n ARG 62 Ca 0.01 1.43 -0.08 0.00 -0.92 0.00 0.00 57.85 58.29 1wh7 n ARG 62 Cb 0.50 -2.18 0.01 0.00 0.45 0.00 0.00 32.46 31.24 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 0.57 -0.20 -0.14 3.07 -1.97 1.44 115.11 117.87 1wh7 h GLN 63 Ca 0.48 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 59.16 1wh7 h GLN 63 Cb 0.82 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 28.24 1wh7 h GLN 63 CO -0.93 0.38 0.01 0.28 0.09 0.00 0.00 178.83 178.66 1wh7 h VAL 64 N 0.58 1.24 0.28 1.86 2.07 0.14 0.23 116.25 122.66 1wh7 h VAL 64 Ca 0.16 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1wh7 h VAL 64 Cb -0.06 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1wh7 h VAL 64 CO -0.03 0.25 -0.14 0.25 0.02 0.00 0.00 177.57 177.92 1wh7 h LEU 65 N 0.12 -0.32 0.01 2.57 5.85 0.24 1.53 115.31 125.31 1wh7 h LEU 65 Ca 0.06 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1wh7 h LEU 65 Cb 0.36 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1wh7 h LEU 65 CO 0.01 -0.15 -0.30 0.50 -0.34 0.00 0.00 178.44 178.16 1wh7 h LYS 66 N -0.48 -0.44 -0.54 1.25 3.64 0.20 0.41 116.57 120.62 1wh7 h LYS 66 Ca -0.04 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1wh7 h LYS 66 Cb 0.36 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1wh7 h LYS 66 CO 0.06 -0.30 0.24 0.82 -2.27 0.00 0.00 179.45 178.01 1wh7 h ILE 67 N -0.46 1.19 -0.59 2.00 2.04 -0.42 -0.38 117.51 120.89 1wh7 h ILE 67 Ca 0.06 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1wh7 h ILE 67 Cb 0.54 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1wh7 h ILE 67 CO -0.25 0.22 0.35 -0.25 0.00 0.00 0.00 178.15 178.22 1wh7 h TRP 68 N 0.76 0.65 0.25 1.37 7.01 0.39 0.41 115.95 126.78 1wh7 h TRP 68 Ca 0.19 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.19 1wh7 h TRP 68 Cb 0.11 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 1wh7 h TRP 68 CO 0.01 0.36 -0.12 0.52 -2.79 0.00 0.00 178.44 176.41 1wh7 h MET 69 N 0.68 -0.33 -0.12 2.65 2.86 0.78 -1.70 114.93 119.75 1wh7 h MET 69 Ca 0.24 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 1wh7 h MET 69 Cb 0.06 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1wh7 h MET 69 CO -0.12 -0.06 0.13 1.25 1.06 0.00 0.00 176.91 179.18 1wh7 h HIS 70 N -0.58 0.00 0.00 -0.22 -0.00 -0.79 0.98 115.15 114.54 1wh7 h HIS 70 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1wh7 h HIS 70 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 1wh7 h HIS 70 CO 0.00 0.00 -0.07 0.09 -0.00 0.00 0.00 177.93 177.96 1wh7 n ASN 71 N -3.86 0.80 0.00 3.26 5.03 0.14 -2.63 115.26 118.00 1wh7 n ASN 71 Ca 0.00 0.53 0.00 0.00 0.87 0.00 0.00 54.58 55.98 1wh7 n ASN 71 Cb 0.24 -0.69 0.00 0.00 -1.02 0.00 0.00 39.78 38.31 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 -2.24 0.00 -0.33 6.41 3.02 0.30 -4.52 115.26 117.91 1wh7 n ASN 72 Ca 0.05 0.05 0.18 0.00 -0.03 0.00 0.00 54.58 54.83 1wh7 n ASN 72 Cb 0.43 -0.49 0.36 0.00 -0.61 0.00 0.00 39.78 39.47 1wh7 n ASN 72 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1wh7 h LYS 73 N 0.00 0.05 -6.50 3.52 2.10 -0.57 -3.45 116.57 111.72 1wh7 h LYS 73 Ca 0.00 -0.00 -0.38 0.00 -2.00 0.00 0.00 60.65 58.27 1wh7 h LYS 73 Cb 0.00 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 31.34 1wh7 h LYS 73 CO 0.00 0.03 -1.17 0.09 -2.00 0.00 0.00 179.45 176.41 1wh7 n ASN 74 N -5.38 -5.59 -1.66 7.07 5.03 -1.08 -4.96 115.26 108.70 1wh7 n ASN 74 Ca 0.26 -0.18 -0.01 0.00 0.87 0.00 0.00 54.58 55.52 1wh7 n ASN 74 Cb 0.86 -1.86 0.01 0.00 -1.02 0.00 0.00 39.78 37.77 1wh7 n ASN 74 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1wh7 n SER 75 N -0.38 -0.48 0.00 6.41 7.64 -1.26 -5.13 113.62 120.42 1wh7 n SER 75 Ca -0.09 -1.25 0.00 0.00 1.01 0.00 0.00 58.87 58.54 1wh7 n SER 75 Cb 0.67 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.66 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 -0.21 3.95 2.69 0.23 0.00 -1.26 -4.95 105.19 105.63 1wh7 n GLY 76 Ca -0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 2.48 -3.99 1.61 -0.04 -1.26 -4.84 135.00 128.96 1wh7 n PRO 77 Ca 0.00 -1.97 -0.34 0.00 -0.04 0.00 0.00 63.50 61.15 1wh7 n PRO 77 Cb 0.00 -2.83 -0.15 0.00 -0.04 0.00 0.00 33.50 30.49 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 3.46 3.84 -0.20 3.54 0.01 -1.26 -4.84 113.70 118.26 1wh7 s SER 78 Ca 0.52 -0.49 -0.13 0.00 1.31 0.00 0.00 55.95 57.16 1wh7 s SER 78 Cb 0.14 -1.64 0.02 0.00 0.21 0.00 0.00 66.02 64.75 1wh7 s SER 78 CO -0.01 -0.01 0.24 -1.54 0.41 0.00 0.00 173.24 172.32 1wh7 n SER 79 N 4.72 -6.50 -0.06 2.44 3.41 -1.26 -5.23 113.62 111.14 1wh7 n SER 79 Ca -0.19 0.36 0.16 0.00 -0.26 0.00 0.00 58.87 58.94 1wh7 n SER 79 Cb 0.51 -2.28 0.89 0.00 -0.26 0.00 0.00 64.21 63.07 1wh7 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49