#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh7 h SER 2 N 0.00 -0.35 -4.77 1.61 0.02 -2.14 -3.49 113.55 104.42 1wh7 h SER 2 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wh7 h SER 2 Cb 0.00 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1wh7 h SER 2 CO 0.00 0.12 -0.98 -1.20 -1.14 0.00 0.00 176.83 173.63 1wh7 n SER 3 N -5.05 -5.40 -4.79 3.07 7.64 -1.26 -4.99 113.62 102.84 1wh7 n SER 3 Ca -0.06 1.20 -0.30 0.00 1.01 0.00 0.00 58.87 60.72 1wh7 n SER 3 Cb 0.21 -4.67 0.09 0.00 -1.01 0.00 0.00 64.21 58.82 1wh7 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh7 s GLY 4 N -1.17 1.63 0.11 0.23 0.00 -1.26 -5.06 107.32 101.80 1wh7 s GLY 4 Ca -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1wh7 s GLY 4 CO 0.67 0.30 0.25 -1.35 0.00 0.00 0.00 173.10 172.97 1wh7 s SER 5 N -3.77 6.34 -0.29 1.64 1.04 -1.26 -5.10 113.70 112.30 1wh7 s SER 5 Ca 0.61 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 1wh7 s SER 5 Cb -0.15 -1.93 0.18 0.00 0.10 0.00 0.00 66.02 64.22 1wh7 s SER 5 CO 0.55 0.11 1.22 -0.94 0.98 0.00 0.00 173.24 175.16 1wh7 s SER 6 N -2.88 -0.19 -0.58 7.02 1.04 -1.26 -5.09 113.70 111.76 1wh7 s SER 6 Ca 0.35 0.33 0.06 0.00 0.48 0.00 0.00 55.95 57.17 1wh7 s SER 6 Cb -0.12 0.84 0.26 0.00 0.10 0.00 0.00 66.02 67.10 1wh7 s SER 6 CO 0.28 -0.05 0.73 0.61 0.98 0.00 0.00 173.24 175.79 1wh7 n GLY 7 N 2.79 4.49 3.78 7.32 0.00 -1.26 -5.05 105.19 117.26 1wh7 n GLY 7 Ca -0.15 -2.51 -0.05 0.00 0.00 0.00 0.00 46.02 43.31 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 -2.35 -0.21 0.15 1.61 0.15 -1.26 -5.03 113.70 106.76 1wh7 s SER 8 Ca 0.40 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 1wh7 s SER 8 Cb 0.18 0.56 -0.06 0.00 -1.71 0.00 0.00 66.02 64.98 1wh7 s SER 8 CO -0.05 -1.03 0.42 0.20 1.20 0.00 0.00 173.24 173.99 1wh7 s ASN 9 N -2.92 6.56 1.10 5.45 -0.87 -1.26 -5.09 114.94 117.90 1wh7 s ASN 9 Ca 0.12 0.72 -0.18 0.00 -1.57 0.00 0.00 52.86 51.95 1wh7 s ASN 9 Cb -0.03 -2.15 0.25 0.00 -0.02 0.00 0.00 41.25 39.31 1wh7 s ASN 9 CO 0.03 0.05 1.23 -2.16 -2.57 0.00 0.00 177.10 173.69 1wh7 s PRO 10 N -2.49 -0.43 -0.35 -0.60 0.04 -1.26 -4.65 135.00 125.26 1wh7 s PRO 10 Ca 0.40 -0.30 -0.17 0.00 0.04 0.00 0.00 61.00 60.97 1wh7 s PRO 10 Cb -0.12 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.73 1wh7 s PRO 10 CO 0.22 -3.15 0.40 0.45 0.04 0.00 0.00 177.00 174.97 1wh7 n SER 11 N -4.31 -7.12 -4.03 6.66 2.88 -1.26 -5.04 113.62 101.40 1wh7 n SER 11 Ca 0.15 0.52 -0.13 0.00 -1.33 0.00 0.00 58.87 58.09 1wh7 n SER 11 Cb 0.59 -3.83 -0.09 0.00 -0.75 0.00 0.00 64.21 60.14 1wh7 n SER 11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh7 s SER 12 N -1.86 0.32 0.24 -3.46 0.01 -1.26 -5.18 113.70 102.51 1wh7 s SER 12 Ca 0.20 -1.37 0.05 0.00 1.31 0.00 0.00 55.95 56.14 1wh7 s SER 12 Cb -0.04 0.44 -0.05 0.00 0.21 0.00 0.00 66.02 66.58 1wh7 s SER 12 CO 0.69 -0.93 -0.05 -0.55 0.41 0.00 0.00 173.24 172.81 1wh7 s SER 13 N -3.17 2.30 0.00 2.44 0.15 -1.26 -5.07 113.70 109.09 1wh7 s SER 13 Ca 0.36 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1wh7 s SER 13 Cb 0.05 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wh7 s SER 13 CO 0.14 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wh7 n GLY 14 N -0.46 -1.39 3.37 9.45 0.00 -1.26 -4.79 105.19 110.11 1wh7 n GLY 14 Ca -0.06 -2.07 -0.46 0.00 0.00 0.00 0.00 46.02 43.43 1wh7 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh7 s GLY 15 N 0.00 2.62 0.12 -0.02 0.00 -1.26 -5.02 107.32 103.76 1wh7 s GLY 15 Ca 0.00 -3.34 0.04 0.00 0.00 0.00 0.00 44.72 41.42 1wh7 s GLY 15 CO 0.00 1.50 0.10 -1.59 0.00 0.00 0.00 173.10 173.11 1wh7 s THR 16 N 0.47 4.51 0.00 0.90 2.01 -1.26 -4.83 115.64 117.45 1wh7 s THR 16 Ca 0.26 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1wh7 s THR 16 Cb -0.08 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.20 1wh7 s THR 16 CO -0.08 0.02 0.00 0.41 -0.69 0.00 0.00 174.62 174.28 1wh7 n THR 17 N 0.11 0.00 0.00 -0.82 -1.04 -1.26 -5.03 114.28 106.24 1wh7 n THR 17 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1wh7 n THR 17 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -1.75 0.00 -3.97 -2.82 -0.00 -1.26 -5.06 118.16 103.30 1wh7 n LYS 18 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1wh7 n LYS 18 Cb 0.00 -0.03 -0.15 0.00 -0.00 0.00 0.00 35.03 34.85 1wh7 n LYS 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1wh7 s ARG 19 N -1.60 1.45 -0.17 -1.58 1.81 -1.26 -4.81 118.95 112.79 1wh7 s ARG 19 Ca 0.00 -1.60 -0.02 0.00 -1.72 0.00 0.00 55.73 52.39 1wh7 s ARG 19 Cb 0.00 -2.91 -0.01 0.00 -0.45 0.00 0.00 34.95 31.58 1wh7 s ARG 19 CO 0.00 -0.88 -0.09 0.12 -0.68 0.00 0.00 175.30 173.77 1wh7 s PHE 20 N 1.09 2.88 0.05 -0.53 5.36 -1.26 -4.96 117.98 120.61 1wh7 s PHE 20 Ca 0.07 -0.81 -0.27 0.00 -0.96 0.00 0.00 56.93 54.96 1wh7 s PHE 20 Cb -0.19 -1.96 0.09 0.00 -0.34 0.00 0.00 43.02 40.62 1wh7 s PHE 20 CO -0.10 -0.38 0.74 0.50 -1.46 0.00 0.00 175.22 174.52 1wh7 s ARG 21 N 0.87 1.04 0.09 10.12 3.00 -1.26 -5.12 118.95 127.69 1wh7 s ARG 21 Ca -0.03 -0.24 0.10 0.00 -1.00 0.00 0.00 55.73 54.56 1wh7 s ARG 21 Cb -0.15 0.48 -0.04 0.00 0.00 0.00 0.00 34.95 35.25 1wh7 s ARG 21 CO 0.00 -0.43 -0.27 0.95 0.00 0.00 0.00 175.30 175.56 1wh7 s THR 22 N -2.90 2.19 -0.14 4.11 -4.23 -1.26 -5.13 115.64 108.29 1wh7 s THR 22 Ca 0.00 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1wh7 s THR 22 Cb -0.01 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.94 1wh7 s THR 22 CO -0.07 0.20 -0.14 -0.75 -0.54 0.00 0.00 174.62 173.32 1wh7 s LYS 23 N -1.71 2.25 0.49 3.99 2.36 -1.26 -5.13 119.74 120.73 1wh7 s LYS 23 Ca 0.13 -0.55 0.06 0.00 -2.55 0.00 0.00 55.97 53.05 1wh7 s LYS 23 Cb -0.10 -2.03 -0.00 0.00 -1.05 0.00 0.00 37.83 34.65 1wh7 s LYS 23 CO 0.04 -0.19 0.29 -0.06 1.55 0.00 0.00 175.35 176.98 1wh7 s PHE 24 N 1.35 2.05 0.25 4.03 0.40 -1.26 -5.12 117.98 119.68 1wh7 s PHE 24 Ca 0.02 -0.75 0.10 0.00 -0.60 0.00 0.00 56.93 55.69 1wh7 s PHE 24 Cb -0.13 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1wh7 s PHE 24 CO -0.08 -0.16 -0.03 -0.08 0.70 0.00 0.00 175.22 175.57 1wh7 s THR 25 N -2.71 3.35 0.20 0.64 -1.32 -1.26 -4.91 115.64 109.64 1wh7 s THR 25 Ca 0.34 -1.89 -0.22 0.00 -1.21 0.00 0.00 61.69 58.71 1wh7 s THR 25 Cb -0.00 -2.77 0.12 0.00 -1.51 0.00 0.00 72.50 68.34 1wh7 s THR 25 CO 0.20 -0.33 1.50 0.00 -2.21 0.00 0.00 174.62 173.78 1wh7 n ALA 26 N -0.71 -0.31 -0.23 11.08 0.00 -1.26 0.10 120.51 129.19 1wh7 n ALA 26 Ca -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 53.44 54.25 1wh7 n ALA 26 Cb 0.58 -0.32 0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.10 -0.02 0.00 4.57 -1.98 0.84 114.58 117.89 1wh7 h GLU 27 Ca 0.27 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1wh7 h GLU 27 Cb 0.51 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1wh7 h GLU 27 CO -0.94 -0.07 0.01 1.96 -1.18 0.00 0.00 179.01 178.78 1wh7 h GLN 28 N -0.11 0.03 -0.99 1.92 4.20 -0.11 1.54 115.11 121.60 1wh7 h GLN 28 Ca 0.27 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.17 1wh7 h GLN 28 Cb 0.55 -0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.23 1wh7 h GLN 28 CO -0.73 0.21 0.61 0.87 -0.67 0.00 0.00 178.83 179.13 1wh7 h LYS 29 N -0.15 0.68 0.00 1.46 1.57 0.25 2.06 116.57 122.45 1wh7 h LYS 29 Ca 0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1wh7 h LYS 29 Cb 0.19 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1wh7 h LYS 29 CO -0.00 0.45 -0.05 0.93 -0.57 0.00 0.00 179.45 180.21 1wh7 h GLU 30 N 0.70 0.00 -0.60 3.15 5.08 0.10 -1.64 114.58 121.38 1wh7 h GLU 30 Ca 0.55 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.99 1wh7 h GLU 30 Cb 0.94 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.13 1wh7 h GLU 30 CO -0.33 0.85 0.27 0.87 -1.00 0.00 0.00 179.01 179.67 1wh7 h LYS 31 N -1.00 0.47 -0.25 2.33 1.57 0.29 -1.85 116.57 118.13 1wh7 h LYS 31 Ca -0.01 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1wh7 h LYS 31 Cb 0.87 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1wh7 h LYS 31 CO -0.01 0.31 -0.01 0.52 -0.57 0.00 0.00 179.45 179.70 1wh7 h MET 32 N 0.48 0.45 -0.92 3.15 2.86 0.32 0.53 114.93 121.81 1wh7 h MET 32 Ca 0.29 -0.15 0.26 0.00 -2.06 0.00 0.00 59.70 58.04 1wh7 h MET 32 Cb 0.30 -0.04 -0.14 0.00 0.06 0.00 0.00 31.60 31.78 1wh7 h MET 32 CO -0.25 0.63 0.33 -0.07 1.06 0.00 0.00 176.91 178.60 1wh7 h LEU 33 N 0.22 0.14 0.00 1.22 -0.00 -0.51 0.53 115.31 116.91 1wh7 h LEU 33 Ca 0.07 0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 58.14 1wh7 h LEU 33 Cb 0.43 0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1wh7 h LEU 33 CO 0.01 -0.15 -0.13 0.00 -0.00 0.00 0.00 178.44 178.18 1wh7 h ALA 34 N 1.80 0.01 -0.85 1.53 0.00 -1.18 -3.08 119.26 117.49 1wh7 h ALA 34 Ca 0.60 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.47 1wh7 h ALA 34 Cb 1.26 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 19.03 1wh7 h ALA 34 CO -0.64 0.12 -0.32 0.34 0.00 0.00 0.00 179.25 178.74 1wh7 n PHE 35 N -4.72 0.06 0.40 0.00 7.35 0.18 -0.24 117.46 120.48 1wh7 n PHE 35 Ca -0.03 1.05 -0.18 0.00 -0.76 0.00 0.00 57.45 57.53 1wh7 n PHE 35 Cb 0.11 -0.84 -0.09 0.00 0.35 0.00 0.00 39.48 39.02 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 1.24 -1.25 -1.64 3.13 0.00 -0.13 -0.58 119.26 120.03 1wh7 h ALA 36 Ca 0.31 -0.23 0.52 0.00 0.00 0.00 0.00 54.91 55.51 1wh7 h ALA 36 Cb 0.52 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.76 1wh7 h ALA 36 CO -0.85 -1.21 1.12 0.93 0.00 0.00 0.00 179.25 179.24 1wh7 h GLU 37 N -1.11 0.00 0.13 0.00 4.39 -0.52 2.10 114.58 119.57 1wh7 h GLU 37 Ca -0.10 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1wh7 h GLU 37 Cb 0.89 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1wh7 h GLU 37 CO 0.10 0.00 -0.06 0.00 -1.16 0.00 0.00 179.01 177.89 1wh7 h ARG 38 N 0.00 -0.17 0.00 2.33 3.08 0.12 -3.11 114.38 116.64 1wh7 h ARG 38 Ca 0.91 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.97 1wh7 h ARG 38 Cb 3.24 0.04 0.00 0.00 0.08 0.00 0.00 29.97 33.33 1wh7 h ARG 38 CO -0.28 0.29 0.00 1.28 -1.07 0.00 0.00 179.97 180.20 1wh7 n LEU 39 N -4.88 0.00 -0.20 3.04 4.77 0.25 -4.83 117.00 115.14 1wh7 n LEU 39 Ca -0.07 0.43 -0.02 0.00 -0.03 0.00 0.00 56.01 56.31 1wh7 n LEU 39 Cb 0.27 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1wh7 n LEU 39 CO 0.25 -0.20 -0.02 0.61 -1.33 0.00 0.00 177.39 176.69 1wh7 n GLY 40 N 0.10 0.41 2.27 -0.72 0.00 0.64 -2.86 105.19 105.03 1wh7 n GLY 40 Ca 0.05 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.48 -0.51 -3.74 1.61 7.02 -0.26 -4.93 117.44 113.13 1wh7 n TRP 41 Ca -0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.33 1wh7 n TRP 41 Cb 0.30 -2.79 -0.13 0.00 -2.42 0.00 0.00 31.31 26.27 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 -4.38 0.20 -0.15 -0.99 1.70 -1.14 -4.77 118.95 109.41 1wh7 s ARG 42 Ca 0.00 0.47 -0.03 0.00 -0.47 0.00 0.00 55.73 55.70 1wh7 s ARG 42 Cb 0.00 -0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.26 1wh7 s ARG 42 CO 0.00 -0.14 -0.04 0.42 -1.08 0.00 0.00 175.30 174.45 1wh7 s ILE 43 N 1.08 3.82 0.11 4.99 1.01 -1.26 -4.70 121.20 126.25 1wh7 s ILE 43 Ca -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1wh7 s ILE 43 Cb -0.09 -2.67 -0.00 0.00 0.01 0.00 0.00 42.46 39.71 1wh7 s ILE 43 CO -0.07 0.49 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1wh7 n GLN 44 N 3.55 1.72 0.09 2.79 6.02 -1.26 -4.97 117.38 125.33 1wh7 n GLN 44 Ca -0.17 -0.83 0.01 0.00 -0.01 0.00 0.00 57.00 56.00 1wh7 n GLN 44 Cb 0.52 0.22 0.34 0.00 1.02 0.00 0.00 30.24 32.34 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 0.29 -0.04 -1.09 3.64 -2.02 -1.85 116.57 115.50 1wh7 h LYS 45 Ca -0.09 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 1wh7 h LYS 45 Cb 0.28 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1wh7 h LYS 45 CO 0.16 0.46 -0.63 1.12 -2.27 0.00 0.00 179.45 178.29 1wh7 h HIS 46 N 0.27 0.22 -0.93 1.91 2.07 -2.02 -3.13 115.15 113.55 1wh7 h HIS 46 Ca 0.05 -0.09 -0.46 0.00 -2.85 0.00 0.00 60.37 57.02 1wh7 h HIS 46 Cb 0.46 -0.04 -0.17 0.00 2.57 0.00 0.00 27.41 30.24 1wh7 h HIS 46 CO 0.01 0.75 0.38 -0.25 -3.07 0.00 0.00 177.93 175.74 1wh7 n ASP 47 N -3.84 6.45 -0.07 3.10 8.00 -0.70 -4.20 116.55 125.30 1wh7 n ASP 47 Ca -0.02 -3.17 -0.21 0.00 0.71 0.00 0.00 54.79 52.10 1wh7 n ASP 47 Cb 0.63 -1.21 -0.13 0.00 -0.02 0.00 0.00 41.12 40.40 1wh7 n ASP 47 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wh7 n ASP 48 N 0.81 2.03 0.08 -2.24 8.00 -1.18 -3.77 116.55 120.27 1wh7 n ASP 48 Ca 0.46 0.11 -0.10 0.00 0.71 0.00 0.00 54.79 55.97 1wh7 n ASP 48 Cb 0.57 -0.70 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1wh7 n ASP 48 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1wh7 h VAL 49 N -0.17 0.70 -1.15 2.53 2.07 -1.85 -2.26 116.25 116.12 1wh7 h VAL 49 Ca -0.50 -1.03 0.32 0.00 0.82 0.00 0.00 66.70 66.31 1wh7 h VAL 49 Cb 1.87 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 1wh7 h VAL 49 CO -0.06 0.18 0.76 0.00 0.02 0.00 0.00 177.57 178.46 1wh7 h ALA 50 N -0.44 2.53 -0.32 1.67 0.00 -1.83 1.72 119.26 122.59 1wh7 h ALA 50 Ca -0.03 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1wh7 h ALA 50 Cb 0.50 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1wh7 h ALA 50 CO 0.05 -0.98 -0.31 0.28 0.00 0.00 0.00 179.25 178.29 1wh7 h VAL 51 N 0.25 1.29 -0.18 0.00 2.07 -1.64 -2.65 116.25 115.40 1wh7 h VAL 51 Ca 0.65 -1.47 -0.19 0.00 0.82 0.00 0.00 66.70 66.51 1wh7 h VAL 51 Cb 1.93 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1wh7 h VAL 51 CO -0.27 0.48 -0.65 -0.33 0.02 0.00 0.00 177.57 176.82 1wh7 h GLU 52 N 0.54 0.66 0.00 1.57 4.39 0.19 -2.77 114.58 119.17 1wh7 h GLU 52 Ca 0.05 -0.48 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 1wh7 h GLU 52 Cb 0.88 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1wh7 h GLU 52 CO 0.08 1.10 -0.01 1.96 -1.16 0.00 0.00 179.01 180.97 1wh7 h GLN 53 N 0.48 0.00 0.00 2.33 4.20 0.20 -0.81 115.11 121.52 1wh7 h GLN 53 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1wh7 h GLN 53 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1wh7 h GLN 53 CO 0.13 0.01 -0.02 0.35 -0.67 0.00 0.00 178.83 178.63 1wh7 h PHE 54 N 0.00 0.00 -0.66 2.96 3.57 -1.20 -3.21 116.94 118.40 1wh7 h PHE 54 Ca -0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1wh7 h PHE 54 Cb 0.05 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.67 1wh7 h PHE 54 CO 0.00 0.00 -0.31 0.00 -2.23 0.00 0.00 178.31 175.77 1wh7 h ALA 56 N 1.19 2.15 -1.16 0.00 0.00 -1.32 2.17 119.26 122.30 1wh7 h ALA 56 Ca 0.27 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1wh7 h ALA 56 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wh7 h ALA 56 CO -0.73 -0.76 0.00 0.39 0.00 0.00 0.00 179.25 178.15 1wh7 n GLU 57 N -4.96 0.00 -0.01 0.00 -0.58 0.44 -4.60 120.64 110.93 1wh7 n GLU 57 Ca 0.33 0.15 -0.09 0.00 -0.42 0.00 0.00 57.16 57.12 1wh7 n GLU 57 Cb 1.08 -0.55 -0.03 0.00 -0.57 0.00 0.00 31.44 31.38 1wh7 n GLU 57 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1wh7 h THR 58 N 0.00 0.43 0.00 2.62 1.35 0.25 -3.46 112.91 114.10 1wh7 h THR 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wh7 h THR 58 Cb 0.00 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 66.85 1wh7 h THR 58 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1wh7 n GLY 59 N -1.36 0.98 3.66 5.82 0.00 0.73 -4.98 105.19 110.04 1wh7 n GLY 59 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1wh7 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh7 s VAL 60 N -2.00 4.99 1.24 1.61 0.11 -1.25 -4.93 120.40 120.17 1wh7 s VAL 60 Ca 0.00 1.26 -0.16 0.00 -2.93 0.00 0.00 61.98 60.15 1wh7 s VAL 60 Cb 0.00 -3.98 0.29 0.00 -1.53 0.00 0.00 36.38 31.16 1wh7 s VAL 60 CO 0.00 0.08 0.82 0.54 -3.33 0.00 0.00 175.10 173.21 1wh7 n ARG 61 N 5.21 -2.97 0.13 1.54 1.74 -1.26 -3.62 116.66 117.44 1wh7 n ARG 61 Ca -0.00 -0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 56.17 1wh7 n ARG 61 Cb 0.49 -2.02 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1wh7 n ARG 61 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1wh7 h ARG 62 N -2.86 -0.34 -0.96 5.56 2.43 -1.96 0.43 114.38 116.68 1wh7 h ARG 62 Ca -0.57 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 58.91 1wh7 h ARG 62 Cb 1.32 0.08 -0.15 0.00 -0.42 0.00 0.00 29.97 30.81 1wh7 h ARG 62 CO 0.42 -0.23 0.44 -0.56 -1.51 0.00 0.00 179.97 178.54 1wh7 h GLN 63 N -0.48 0.28 0.23 0.20 3.07 -1.97 1.93 115.11 118.37 1wh7 h GLN 63 Ca -0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 1wh7 h GLN 63 Cb 0.27 -0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.77 1wh7 h GLN 63 CO 0.06 0.19 -0.11 0.28 0.09 0.00 0.00 178.83 179.34 1wh7 h VAL 64 N 0.29 0.83 -0.72 1.86 2.07 -1.91 1.58 116.25 120.25 1wh7 h VAL 64 Ca 0.66 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1wh7 h VAL 64 Cb 1.45 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 1wh7 h VAL 64 CO -0.62 0.15 0.42 0.25 0.02 0.00 0.00 177.57 177.79 1wh7 h LEU 65 N -0.68 0.65 0.14 2.57 5.85 0.29 0.31 115.31 124.45 1wh7 h LEU 65 Ca -0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1wh7 h LEU 65 Cb 0.47 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1wh7 h LEU 65 CO 0.05 0.43 -0.07 0.50 -0.34 0.00 0.00 178.44 179.01 1wh7 h LYS 66 N 0.79 -0.18 -0.86 1.25 3.64 0.29 -2.58 116.57 118.92 1wh7 h LYS 66 Ca 0.32 0.01 0.24 0.00 -1.27 0.00 0.00 60.65 59.95 1wh7 h LYS 66 Cb 0.15 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1wh7 h LYS 66 CO -0.17 0.22 0.61 0.82 -2.27 0.00 0.00 179.45 178.67 1wh7 h ILE 67 N -0.64 0.59 0.62 2.00 2.04 0.27 0.21 117.51 122.60 1wh7 h ILE 67 Ca -0.02 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1wh7 h ILE 67 Cb 0.48 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1wh7 h ILE 67 CO 0.03 0.01 -0.30 -0.25 0.00 0.00 0.00 178.15 177.64 1wh7 h TRP 68 N 0.05 -0.77 -0.84 1.37 7.01 -0.14 -1.15 115.95 121.48 1wh7 h TRP 68 Ca 0.41 -0.02 0.15 0.00 2.11 0.00 0.00 58.89 61.55 1wh7 h TRP 68 Cb 1.57 0.25 -0.10 0.00 -2.10 0.00 0.00 29.16 28.79 1wh7 h TRP 68 CO -0.00 -0.48 0.42 0.52 -2.79 0.00 0.00 178.44 176.11 1wh7 h MET 69 N -1.00 0.57 0.00 2.65 2.86 -0.72 1.33 114.93 120.62 1wh7 h MET 69 Ca -0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1wh7 h MET 69 Cb 0.63 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1wh7 h MET 69 CO 0.14 0.38 0.00 1.58 1.06 0.00 0.00 176.91 180.07 1wh7 n HIS 70 N -4.90 0.00 0.45 -0.22 -0.00 0.58 -0.96 115.22 110.18 1wh7 n HIS 70 Ca 0.17 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.94 1wh7 n HIS 70 Cb 0.45 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.99 30.04 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 -1.37 0.95 -1.63 0.26 3.02 0.42 -4.47 115.26 112.44 1wh7 n ASN 71 Ca 0.05 -0.98 -0.03 0.00 -0.03 0.00 0.00 54.58 53.59 1wh7 n ASN 71 Cb 0.13 0.66 0.08 0.00 -0.61 0.00 0.00 39.78 40.04 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 -0.59 2.31 -4.53 6.41 3.02 1.00 -5.04 115.26 117.83 1wh7 n ASN 72 Ca 0.03 -3.02 -0.25 0.00 -0.03 0.00 0.00 54.58 51.31 1wh7 n ASN 72 Cb 0.19 -0.42 -0.11 0.00 -0.61 0.00 0.00 39.78 38.84 1wh7 n ASN 72 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wh7 s LYS 73 N -2.65 1.79 -0.14 3.52 -2.85 -0.41 -4.92 119.74 114.07 1wh7 s LYS 73 Ca 0.38 -1.95 -0.02 0.00 -1.00 0.00 0.00 55.97 53.38 1wh7 s LYS 73 Cb 0.37 -1.53 0.01 0.00 -2.06 0.00 0.00 37.83 34.62 1wh7 s LYS 73 CO -0.06 0.06 0.03 -1.71 0.10 0.00 0.00 175.35 173.77 1wh7 n ASN 74 N -0.79 -4.02 0.00 0.03 2.85 -1.26 -5.03 115.26 107.03 1wh7 n ASN 74 Ca -0.05 0.72 0.00 0.00 -0.11 0.00 0.00 54.58 55.14 1wh7 n ASN 74 Cb 0.64 -3.20 0.00 0.00 1.24 0.00 0.00 39.78 38.46 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 0.49 0.00 0.00 1.20 7.64 -1.26 -5.18 113.62 116.51 1wh7 n SER 75 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1wh7 n SER 75 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.00 4.37 0.14 0.23 0.00 -1.26 -4.99 105.19 103.67 1wh7 n GLY 76 Ca 0.00 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.70 1wh7 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh7 h PRO 77 N 0.00 -0.23 -2.34 1.61 0.13 -2.07 -3.44 132.00 125.67 1wh7 h PRO 77 Ca 0.00 0.02 -0.44 0.00 -0.87 0.00 0.00 66.00 64.70 1wh7 h PRO 77 Cb 0.00 0.05 -0.36 0.00 0.13 0.00 0.00 31.00 30.83 1wh7 h PRO 77 CO 0.00 0.08 -0.73 -1.12 -0.23 0.00 0.00 178.00 176.00 1wh7 s SER 78 N -5.41 2.26 0.02 1.44 0.01 -1.26 -5.13 113.70 105.63 1wh7 s SER 78 Ca -0.09 -1.44 -0.05 0.00 1.31 0.00 0.00 55.95 55.69 1wh7 s SER 78 Cb 0.00 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.34 1wh7 s SER 78 CO 0.31 -0.35 0.08 -0.55 0.41 0.00 0.00 173.24 173.15 1wh7 s SER 79 N 1.75 0.12 0.00 2.44 0.15 -1.26 -5.29 113.70 111.60 1wh7 s SER 79 Ca 0.13 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wh7 s SER 79 Cb -0.17 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wh7 s SER 79 CO -0.18 -0.39 0.21 0.61 1.20 0.00 0.00 173.24 174.70