#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 s SER 2 N 0.00 7.06 0.58 1.61 0.01 -1.26 -4.92 113.70 116.77 1wf0 s SER 2 Ca 0.00 1.28 0.34 0.00 1.31 0.00 0.00 55.95 58.87 1wf0 s SER 2 Cb 0.00 -2.44 1.82 0.00 0.21 0.00 0.00 66.02 65.61 1wf0 s SER 2 CO 0.00 -0.13 2.02 0.77 0.41 0.00 0.00 173.24 176.31 1wf0 h SER 3 N 6.70 0.00 0.00 2.44 4.64 -2.11 -3.45 113.55 121.76 1wf0 h SER 3 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1wf0 h SER 3 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wf0 h SER 3 CO 0.75 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1wf0 n GLY 4 N -1.18 3.61 3.64 -0.77 0.00 -1.26 -5.16 105.19 104.07 1wf0 n GLY 4 Ca -0.02 -1.24 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 1wf0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf0 s SER 5 N 0.00 -0.79 -0.37 1.61 1.04 -1.26 -5.12 113.70 108.81 1wf0 s SER 5 Ca 0.00 1.28 0.01 0.00 0.48 0.00 0.00 55.95 57.73 1wf0 s SER 5 Cb 0.00 1.32 0.15 0.00 0.10 0.00 0.00 66.02 67.59 1wf0 s SER 5 CO 0.00 -0.20 0.28 -0.44 0.98 0.00 0.00 173.24 173.86 1wf0 s SER 6 N 1.43 2.20 -0.10 7.02 0.01 -1.26 -4.81 113.70 118.18 1wf0 s SER 6 Ca -0.09 -2.08 -0.30 0.00 1.31 0.00 0.00 55.95 54.79 1wf0 s SER 6 Cb -0.05 -0.07 0.10 0.00 0.21 0.00 0.00 66.02 66.22 1wf0 s SER 6 CO -0.17 -0.28 0.87 -0.83 0.41 0.00 0.00 173.24 173.25 1wf0 s GLY 7 N 1.08 -0.40 0.25 3.44 0.00 -1.26 -1.93 107.32 108.49 1wf0 s GLY 7 Ca 0.19 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.60 1wf0 s GLY 7 CO -0.02 0.92 0.02 -1.34 0.00 0.00 0.00 173.10 172.68 1wf0 s VAL 8 N -1.39 0.96 -0.36 1.40 -7.23 -1.02 -4.58 120.40 108.18 1wf0 s VAL 8 Ca -0.04 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 57.99 1wf0 s VAL 8 Cb -0.00 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.51 1wf0 s VAL 8 CO 0.03 -0.23 0.21 -0.36 -0.31 0.00 0.00 175.10 174.43 1wf0 s PHE 9 N -3.47 3.23 -1.26 2.82 0.08 0.15 -2.68 117.98 116.85 1wf0 s PHE 9 Ca 0.31 -0.79 -0.16 0.00 0.12 0.00 0.00 56.93 56.41 1wf0 s PHE 9 Cb 0.06 -2.44 0.12 0.00 -0.57 0.00 0.00 43.02 40.20 1wf0 s PHE 9 CO 0.10 -0.58 1.59 0.28 -0.10 0.00 0.00 175.22 176.51 1wf0 n VAL 10 N 5.02 4.11 -1.09 -0.44 0.31 0.57 -3.28 118.33 123.53 1wf0 n VAL 10 Ca -0.12 -4.42 -0.17 0.00 -0.01 0.00 0.00 64.34 59.61 1wf0 n VAL 10 Cb 0.47 -2.41 0.13 0.00 -0.91 0.00 0.00 33.84 31.12 1wf0 n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wf0 n GLY 11 N 4.70 -2.14 2.46 2.92 0.00 -1.21 -2.37 105.19 109.54 1wf0 n GLY 11 Ca 0.43 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 1wf0 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf0 n ARG 12 N -3.11 -2.04 -3.31 1.61 5.12 0.50 -3.64 116.66 111.77 1wf0 n ARG 12 Ca 0.09 0.85 -0.19 0.00 -1.93 0.00 0.00 57.85 56.67 1wf0 n ARG 12 Cb 0.34 -5.50 -0.01 0.00 -1.16 0.00 0.00 32.46 26.12 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wf0 s THR 14 N -2.44 1.81 0.42 0.00 -1.32 -1.26 -4.35 115.64 108.50 1wf0 s THR 14 Ca 0.51 -0.91 0.24 0.00 -1.21 0.00 0.00 61.69 60.33 1wf0 s THR 14 Cb -0.06 -1.55 0.44 0.00 -1.51 0.00 0.00 72.50 69.81 1wf0 s THR 14 CO 0.30 0.51 1.70 1.23 -2.21 0.00 0.00 174.62 176.15 1wf0 h GLY 15 N 6.40 1.24 -0.86 6.08 0.00 -1.97 -1.43 103.07 112.54 1wf0 h GLY 15 Ca -0.28 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.00 1wf0 h GLY 15 CO 0.47 -0.26 -0.50 -0.55 0.00 0.00 0.00 176.54 175.70 1wf0 h ASP 16 N 0.24 -1.80 -2.33 0.19 3.32 -2.06 -3.41 116.42 110.58 1wf0 h ASP 16 Ca 0.70 0.30 -0.50 0.00 0.02 0.00 0.00 57.03 57.56 1wf0 h ASP 16 Cb 2.02 0.83 0.23 0.00 0.22 0.00 0.00 39.33 42.64 1wf0 h ASP 16 CO -0.35 -0.28 -1.37 0.23 -1.72 0.00 0.00 179.24 175.75 1wf0 n MET 17 N -5.36 -0.71 -4.10 3.56 2.81 -0.54 -5.02 117.12 107.77 1wf0 n MET 17 Ca 0.04 -0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 55.60 1wf0 n MET 17 Cb 0.33 -1.51 -0.11 0.00 -0.71 0.00 0.00 33.22 31.21 1wf0 n MET 17 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wf0 s THR 18 N -2.20 0.69 0.60 2.03 -4.23 -1.26 -5.00 115.64 106.27 1wf0 s THR 18 Ca 0.50 -1.19 0.30 0.00 -1.18 0.00 0.00 61.69 60.12 1wf0 s THR 18 Cb -0.11 -0.79 0.43 0.00 1.34 0.00 0.00 72.50 73.37 1wf0 s THR 18 CO 0.69 -0.38 1.42 -0.33 -0.54 0.00 0.00 174.62 175.48 1wf0 h GLU 19 N 4.34 0.00 -0.02 3.99 5.08 -1.95 0.89 114.58 126.91 1wf0 h GLU 19 Ca -0.37 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 1wf0 h GLU 19 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wf0 h GLU 19 CO 0.42 0.00 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.78 1wf0 h ASP 20 N 0.00 0.22 0.09 1.42 5.19 -1.94 -1.55 116.42 119.84 1wf0 h ASP 20 Ca 0.51 -0.72 0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1wf0 h ASP 20 Cb 2.80 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 42.20 1wf0 h ASP 20 CO -0.01 0.91 -0.37 -0.33 -3.12 0.00 0.00 179.24 176.33 1wf0 h GLU 21 N -0.46 -0.56 -0.09 3.56 4.39 0.41 0.97 114.58 122.81 1wf0 h GLU 21 Ca -0.02 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1wf0 h GLU 21 Cb 0.92 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1wf0 h GLU 21 CO 0.04 -0.37 0.04 -0.07 -1.16 0.00 0.00 179.01 177.49 1wf0 h LEU 22 N -0.58 0.12 -1.24 1.33 3.38 -1.62 -1.53 115.31 115.18 1wf0 h LEU 22 Ca 0.04 -0.16 0.20 0.00 0.09 0.00 0.00 57.88 58.04 1wf0 h LEU 22 Cb 0.62 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.25 1wf0 h LEU 22 CO -0.24 0.25 0.61 -0.09 0.09 0.00 0.00 178.44 179.06 1wf0 h ARG 23 N -0.01 0.59 0.00 1.13 2.43 -1.02 0.73 114.38 118.23 1wf0 h ARG 23 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1wf0 h ARG 23 Cb 0.16 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1wf0 h ARG 23 CO -0.00 0.39 -0.06 0.93 -1.51 0.00 0.00 179.97 179.72 1wf0 h GLU 24 N 0.61 0.00 0.00 0.20 4.39 -0.48 -2.72 114.58 116.58 1wf0 h GLU 24 Ca 0.53 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.95 1wf0 h GLU 24 Cb 1.03 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.63 1wf0 h GLU 24 CO -0.28 0.00 -1.70 0.34 -1.16 0.00 0.00 179.01 176.20 1wf0 n PHE 25 N -2.45 0.98 1.12 4.33 -0.00 0.21 -3.94 117.46 117.70 1wf0 n PHE 25 Ca 0.05 0.35 0.12 0.00 -0.00 0.00 0.00 57.45 57.98 1wf0 n PHE 25 Cb 0.46 -1.18 0.31 0.00 -0.00 0.00 0.00 39.48 39.07 1wf0 n PHE 25 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1wf0 n PHE 26 N -3.03 0.00 0.23 -5.13 3.72 0.12 -3.88 117.46 109.49 1wf0 n PHE 26 Ca -0.17 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.32 1wf0 n PHE 26 Cb 1.04 -0.19 0.53 0.00 -0.94 0.00 0.00 39.48 39.92 1wf0 n PHE 26 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wf0 h SER 27 N 0.56 0.00 1.45 4.37 0.87 -1.60 -2.30 113.55 116.89 1wf0 h SER 27 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 1wf0 h SER 27 Cb 0.50 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1wf0 h SER 27 CO 0.00 0.23 -0.56 0.06 -0.53 0.00 0.00 176.83 176.04 1wf0 h GLN 28 N 0.00 0.00 0.02 2.24 3.07 -1.78 -3.34 115.11 115.31 1wf0 h GLN 28 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 1wf0 h GLN 28 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 1wf0 h GLN 28 CO 0.03 0.50 -0.01 1.88 0.09 0.00 0.00 178.83 181.32 1wf0 h TYR 29 N 0.00 -0.02 0.00 0.06 -1.99 -1.64 -3.50 116.97 109.88 1wf0 h TYR 29 Ca -0.01 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1wf0 h TYR 29 Cb 1.40 0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.14 1wf0 h TYR 29 CO 0.00 0.75 0.00 0.41 -0.00 0.00 0.00 178.16 179.32 1wf0 n GLY 30 N 1.37 4.32 2.77 3.88 0.00 -0.91 -5.09 105.19 111.52 1wf0 n GLY 30 Ca -0.08 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 1wf0 n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wf0 n ASP 31 N 0.00 2.94 -4.56 1.61 -0.08 -1.26 -4.56 116.55 110.64 1wf0 n ASP 31 Ca 0.00 -3.21 -0.38 0.00 -1.51 0.00 0.00 54.79 49.69 1wf0 n ASP 31 Cb 0.00 -0.73 -0.03 0.00 2.34 0.00 0.00 41.12 42.70 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wf0 s VAL 32 N -1.58 3.18 0.22 5.18 0.11 -1.26 -1.31 120.40 124.94 1wf0 s VAL 32 Ca 0.28 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.37 1wf0 s VAL 32 Cb 0.00 -3.42 0.18 0.00 -1.53 0.00 0.00 36.38 31.62 1wf0 s VAL 32 CO -0.14 -0.38 1.69 0.24 -3.33 0.00 0.00 175.10 173.18 1wf0 h MET 33 N 16.77 0.20 -2.79 1.54 2.86 -1.20 -3.46 114.93 128.85 1wf0 h MET 33 Ca -0.27 -0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.42 1wf0 h MET 33 Cb 1.22 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.81 1wf0 h MET 33 CO 1.15 0.13 0.39 0.34 1.06 0.00 0.00 176.91 179.98 1wf0 s ASP 34 N -5.27 -0.04 -0.14 1.22 2.15 -1.20 -5.04 116.67 108.36 1wf0 s ASP 34 Ca -0.13 -0.88 -0.04 0.00 0.43 0.00 0.00 52.55 51.93 1wf0 s ASP 34 Cb 0.19 0.70 0.07 0.00 -0.30 0.00 0.00 42.92 43.57 1wf0 s ASP 34 CO 0.74 -1.36 0.24 -0.69 -0.17 0.00 0.00 175.17 173.93 1wf0 s VAL 35 N -2.51 -0.38 0.29 1.11 1.01 -1.26 -1.78 120.40 116.87 1wf0 s VAL 35 Ca 0.17 0.22 0.11 0.00 0.00 0.00 0.00 61.98 62.47 1wf0 s VAL 35 Cb -0.04 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 1wf0 s VAL 35 CO 0.08 0.06 -0.17 0.12 0.00 0.00 0.00 175.10 175.20 1wf0 s PHE 36 N 2.39 2.24 -0.38 5.22 5.36 -0.90 -4.87 117.98 127.03 1wf0 s PHE 36 Ca 0.03 -0.40 0.03 0.00 -0.96 0.00 0.00 56.93 55.63 1wf0 s PHE 36 Cb -0.13 -1.05 0.11 0.00 -0.34 0.00 0.00 43.02 41.61 1wf0 s PHE 36 CO -0.09 0.64 0.11 0.42 -1.46 0.00 0.00 175.22 174.84 1wf0 s ILE 37 N -2.60 2.18 -0.16 3.12 1.01 -1.26 -1.74 121.20 121.75 1wf0 s ILE 37 Ca 0.30 -2.50 -0.29 0.00 0.00 0.00 0.00 60.65 58.16 1wf0 s ILE 37 Cb -0.03 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 1wf0 s ILE 37 CO 0.14 -0.67 1.57 -2.16 0.00 0.00 0.00 174.94 173.83 1wf0 s PRO 38 N 0.66 3.98 0.43 2.79 0.04 -1.26 -4.90 135.00 136.74 1wf0 s PRO 38 Ca 0.13 1.82 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 1wf0 s PRO 38 Cb -0.21 -3.98 -0.06 0.00 0.04 0.00 0.00 34.50 30.30 1wf0 s PRO 38 CO -0.07 -1.07 0.78 0.15 0.04 0.00 0.00 177.00 176.83 1wf0 s LYS 39 N 4.31 3.71 0.22 4.56 -0.14 -1.26 -3.86 119.74 127.27 1wf0 s LYS 39 Ca 0.69 0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 55.42 1wf0 s LYS 39 Cb -0.27 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.42 1wf0 s LYS 39 CO 0.27 -0.10 1.29 -1.25 -0.76 0.00 0.00 175.35 174.80 1wf0 s PRO 40 N -4.13 4.41 -0.14 -1.68 0.04 -1.26 -5.08 135.00 127.15 1wf0 s PRO 40 Ca 0.50 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 1wf0 s PRO 40 Cb -0.10 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1wf0 s PRO 40 CO 0.36 -0.20 1.77 0.12 0.04 0.00 0.00 177.00 179.09 1wf0 s PHE 41 N -0.16 1.80 -0.65 0.56 5.36 -1.25 -4.94 117.98 118.69 1wf0 s PHE 41 Ca 0.54 0.29 0.05 0.00 -0.96 0.00 0.00 56.93 56.85 1wf0 s PHE 41 Cb -0.36 -4.01 0.16 0.00 -0.34 0.00 0.00 43.02 38.47 1wf0 s PHE 41 CO 0.40 -3.77 0.44 1.03 -1.46 0.00 0.00 175.22 171.87 1wf0 s ARG 42 N 4.74 2.23 -1.14 10.12 0.52 -1.26 -4.86 118.95 129.30 1wf0 s ARG 42 Ca 0.79 -3.11 -0.14 0.00 -0.52 0.00 0.00 55.73 52.74 1wf0 s ARG 42 Cb -0.31 -3.20 0.14 0.00 0.52 0.00 0.00 34.95 32.10 1wf0 s ARG 42 CO 0.32 -1.27 0.36 0.00 0.02 0.00 0.00 175.30 174.73 1wf0 n ALA 43 N 2.23 -0.92 -3.56 2.13 0.00 -1.26 -4.82 120.51 114.31 1wf0 n ALA 43 Ca 0.18 -0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1wf0 n ALA 43 Cb 0.36 -1.61 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 1wf0 n ALA 43 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1wf0 s PHE 44 N -2.49 -0.71 0.25 0.00 -0.71 -1.26 -0.37 117.98 112.69 1wf0 s PHE 44 Ca 0.51 1.59 0.03 0.00 -1.04 0.00 0.00 56.93 58.02 1wf0 s PHE 44 Cb -0.30 0.30 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1wf0 s PHE 44 CO 0.62 -0.43 0.02 0.00 -1.34 0.00 0.00 175.22 174.09 1wf0 s ALA 45 N -0.13 1.90 -0.04 1.99 0.00 -1.00 -4.80 121.76 119.68 1wf0 s ALA 45 Ca -0.04 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.10 1wf0 s ALA 45 Cb -0.03 0.61 -0.03 0.00 0.00 0.00 0.00 23.12 23.66 1wf0 s ALA 45 CO 0.04 -0.29 -0.05 0.12 0.00 0.00 0.00 175.76 175.58 1wf0 s PHE 46 N -3.45 2.97 -0.01 0.00 5.36 -0.71 -0.32 117.98 121.83 1wf0 s PHE 46 Ca 0.31 0.04 0.01 0.00 -0.96 0.00 0.00 56.93 56.33 1wf0 s PHE 46 Cb 0.07 -1.69 0.01 0.00 -0.34 0.00 0.00 43.02 41.06 1wf0 s PHE 46 CO 0.11 0.38 -0.03 0.08 -1.46 0.00 0.00 175.22 174.30 1wf0 s VAL 47 N -0.90 0.26 -0.08 3.12 1.01 -1.09 -2.13 120.40 120.59 1wf0 s VAL 47 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1wf0 s VAL 47 Cb -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 1wf0 s VAL 47 CO 0.04 0.10 -0.04 -0.89 0.00 0.00 0.00 175.10 174.31 1wf0 s THR 48 N 0.27 3.90 -0.07 3.92 2.01 -0.74 -2.45 115.64 122.49 1wf0 s THR 48 Ca -0.03 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1wf0 s THR 48 Cb -0.05 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1wf0 s THR 48 CO -0.01 0.59 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.92 1wf0 s PHE 49 N -0.69 2.40 0.61 4.92 0.08 -0.81 -0.67 117.98 123.82 1wf0 s PHE 49 Ca 0.11 -0.82 0.28 0.00 0.12 0.00 0.00 56.93 56.61 1wf0 s PHE 49 Cb -0.11 -1.59 1.37 0.00 -0.57 0.00 0.00 43.02 42.11 1wf0 s PHE 49 CO 0.02 -0.29 1.78 0.00 -0.10 0.00 0.00 175.22 176.63 1wf0 h ALA 50 N 6.33 2.15 -3.22 5.36 0.00 -1.53 -3.37 119.26 124.99 1wf0 h ALA 50 Ca -0.27 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.01 1wf0 h ALA 50 Cb 1.20 0.03 -0.35 0.00 0.00 0.00 0.00 17.79 18.68 1wf0 h ALA 50 CO 0.47 -0.82 -0.84 -0.51 0.00 0.00 0.00 179.25 177.54 1wf0 s ASP 51 N -4.73 2.68 0.54 0.00 1.11 -1.26 -5.00 116.67 110.01 1wf0 s ASP 51 Ca -0.04 -0.49 0.22 0.00 0.18 0.00 0.00 52.55 52.43 1wf0 s ASP 51 Cb 0.14 -1.21 1.50 0.00 1.07 0.00 0.00 42.92 44.41 1wf0 s ASP 51 CO 0.47 0.02 2.18 -2.24 1.18 0.00 0.00 175.17 176.78 1wf0 h ASP 52 N 7.51 0.00 0.63 0.27 2.03 -1.88 -0.59 116.42 124.39 1wf0 h ASP 52 Ca -0.33 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 55.92 1wf0 h ASP 52 Cb 1.17 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 1wf0 h ASP 52 CO 0.52 0.02 -0.22 1.56 -1.03 0.00 0.00 179.24 180.09 1wf0 h GLN 53 N 0.00 0.00 -0.15 4.15 1.08 -1.94 -1.21 115.11 117.04 1wf0 h GLN 53 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 1wf0 h GLN 53 Cb 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 1wf0 h GLN 53 CO 0.00 0.22 -0.68 0.82 -0.95 0.00 0.00 178.83 178.24 1wf0 h ILE 54 N 0.00 1.33 0.07 2.54 2.04 -1.48 -2.54 117.51 119.46 1wf0 h ILE 54 Ca -0.00 -1.96 -0.25 0.00 1.00 0.00 0.00 64.86 63.64 1wf0 h ILE 54 Cb 0.59 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1wf0 h ILE 54 CO 0.03 0.61 -1.19 0.00 0.00 0.00 0.00 178.15 177.59 1wf0 h ALA 55 N 0.82 0.24 0.30 1.87 0.00 -1.50 -3.21 119.26 117.79 1wf0 h ALA 55 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 1wf0 h ALA 55 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wf0 h ALA 55 CO 0.13 1.13 -0.15 1.96 0.00 0.00 0.00 179.25 182.32 1wf0 h GLN 56 N 0.04 -0.39 -0.31 0.00 4.20 -1.24 -2.49 115.11 114.91 1wf0 h GLN 56 Ca -0.10 0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.73 1wf0 h GLN 56 Cb 1.90 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1wf0 h GLN 56 CO 0.16 -0.12 0.23 0.77 -0.67 0.00 0.00 178.83 179.21 1wf0 h SER 57 N -0.65 0.00 0.49 1.46 0.02 -1.59 0.51 113.55 113.79 1wf0 h SER 57 Ca -0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1wf0 h SER 57 Cb 0.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1wf0 h SER 57 CO 0.07 0.00 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.13 1wf0 h LEU 58 N 0.00 0.08 -8.92 5.07 3.38 -1.50 -3.43 115.31 109.99 1wf0 h LEU 58 Ca 0.15 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.50 1wf0 h LEU 58 Cb 0.60 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1wf0 h LEU 58 CO -0.00 0.62 1.50 0.00 0.09 0.00 0.00 178.44 180.65 1wf0 n GLY 60 N 5.78 0.96 3.44 0.00 0.00 -0.29 -4.99 105.19 110.09 1wf0 n GLY 60 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1wf0 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wf0 s GLU 61 N -0.48 2.76 -0.23 1.61 2.02 -0.23 -5.01 118.70 119.14 1wf0 s GLU 61 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 54.97 54.19 1wf0 s GLU 61 Cb 0.00 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.74 1wf0 s GLU 61 CO 0.00 0.50 0.14 -0.51 0.02 0.00 0.00 175.26 175.40 1wf0 s ASP 62 N -0.40 5.98 0.18 -0.19 1.01 -1.26 -3.15 116.67 118.84 1wf0 s ASP 62 Ca 0.04 0.10 0.10 0.00 0.71 0.00 0.00 52.55 53.50 1wf0 s ASP 62 Cb -0.12 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1wf0 s ASP 62 CO 0.02 0.09 -0.19 -0.76 0.21 0.00 0.00 175.17 174.54 1wf0 s LEU 63 N 0.91 2.64 -0.22 1.23 1.43 -1.13 -4.98 118.68 118.56 1wf0 s LEU 63 Ca 0.07 -0.73 -0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1wf0 s LEU 63 Cb -0.13 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1wf0 s LEU 63 CO 0.03 0.13 -0.02 -0.63 0.23 0.00 0.00 176.35 176.09 1wf0 s ILE 64 N -1.58 3.62 -0.22 -0.59 -1.09 -1.26 -1.74 121.20 118.34 1wf0 s ILE 64 Ca 0.21 -0.41 0.02 0.00 -2.23 0.00 0.00 60.65 58.24 1wf0 s ILE 64 Cb -0.09 -2.65 0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1wf0 s ILE 64 CO 0.11 0.41 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.48 1wf0 s ILE 65 N 1.44 1.92 -0.66 2.92 1.01 0.12 -4.65 121.20 123.29 1wf0 s ILE 65 Ca 0.05 -1.24 0.00 0.00 0.00 0.00 0.00 60.65 59.46 1wf0 s ILE 65 Cb -0.14 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.36 1wf0 s ILE 65 CO -0.01 0.16 0.00 0.29 0.00 0.00 0.00 174.94 175.38 1wf0 n LYS 66 N 4.58 -1.10 0.00 2.79 5.02 -1.26 -2.23 118.16 125.95 1wf0 n LYS 66 Ca -0.16 0.62 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1wf0 n LYS 66 Cb 0.45 -4.62 0.00 0.00 -0.02 0.00 0.00 35.03 30.84 1wf0 n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf0 n GLY 67 N -0.90 1.85 3.84 0.72 0.00 -1.26 -5.08 105.19 104.36 1wf0 n GLY 67 Ca -0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1wf0 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf0 s ILE 68 N -2.01 4.31 -0.16 -0.61 -5.25 -0.95 -5.00 121.20 111.54 1wf0 s ILE 68 Ca 0.00 0.84 -0.01 0.00 -0.99 0.00 0.00 60.65 60.49 1wf0 s ILE 68 Cb 0.00 -3.61 -0.01 0.00 2.95 0.00 0.00 42.46 41.79 1wf0 s ILE 68 CO 0.00 -0.89 -0.12 -0.55 -1.79 0.00 0.00 174.94 171.59 1wf0 s SER 69 N -3.70 4.00 -0.00 4.36 0.15 -1.26 -0.70 113.70 116.54 1wf0 s SER 69 Ca 0.58 -0.37 0.07 0.00 0.70 0.00 0.00 55.95 56.92 1wf0 s SER 69 Cb -0.13 -1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 62.53 1wf0 s SER 69 CO 0.49 0.10 -0.20 0.68 1.20 0.00 0.00 173.24 175.51 1wf0 s VAL 70 N 0.71 2.56 -0.32 4.45 -7.23 -0.71 -4.75 120.40 115.12 1wf0 s VAL 70 Ca -0.05 -1.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.93 1wf0 s VAL 70 Cb -0.15 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1wf0 s VAL 70 CO 0.02 0.49 0.27 -2.28 -0.31 0.00 0.00 175.10 173.29 1wf0 s HIS 71 N -0.75 3.22 -0.30 2.82 2.46 -1.24 -2.83 115.29 118.67 1wf0 s HIS 71 Ca 0.12 -0.04 -0.25 0.00 0.47 0.00 0.00 55.06 55.36 1wf0 s HIS 71 Cb -0.10 -2.50 0.00 0.00 -0.13 0.00 0.00 32.58 29.85 1wf0 s HIS 71 CO 0.01 -0.32 0.87 0.42 -2.47 0.00 0.00 174.74 173.26 1wf0 s ILE 72 N 1.83 4.73 -0.02 0.89 -1.09 -1.19 -3.33 121.20 123.01 1wf0 s ILE 72 Ca 0.08 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.88 1wf0 s ILE 72 Cb -0.17 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.52 1wf0 s ILE 72 CO 0.11 -0.29 -0.01 -0.55 -1.23 0.00 0.00 174.94 172.97 1wf0 s SER 73 N 1.59 0.37 -0.46 3.58 0.15 -1.20 -1.14 113.70 116.59 1wf0 s SER 73 Ca 0.36 -0.03 -0.19 0.00 0.70 0.00 0.00 55.95 56.78 1wf0 s SER 73 Cb -0.14 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.05 1wf0 s SER 73 CO 0.12 -0.06 0.59 0.21 1.20 0.00 0.00 173.24 175.31 1wf0 s ASN 74 N 0.66 6.26 0.06 5.45 2.47 -1.26 -0.68 114.94 127.90 1wf0 s ASN 74 Ca -0.07 -0.60 0.03 0.00 0.42 0.00 0.00 52.86 52.65 1wf0 s ASN 74 Cb -0.10 -2.29 -0.03 0.00 -1.45 0.00 0.00 41.25 37.39 1wf0 s ASN 74 CO -0.01 -0.77 -0.10 0.00 -3.72 0.00 0.00 177.10 172.50 1wf0 s ALA 75 N 2.60 0.83 -0.34 1.71 0.00 -1.26 -5.01 121.76 120.29 1wf0 s ALA 75 Ca 0.18 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.24 1wf0 s ALA 75 Cb -0.16 -0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.08 1wf0 s ALA 75 CO 0.15 0.04 0.19 -1.21 0.00 0.00 0.00 175.76 174.94 1wf0 s GLU 76 N -1.76 0.47 0.77 0.00 2.02 -1.26 -4.87 118.70 114.07 1wf0 s GLU 76 Ca -0.06 -1.16 -0.11 0.00 0.02 0.00 0.00 54.97 53.66 1wf0 s GLU 76 Cb -0.09 -1.26 0.05 0.00 0.10 0.00 0.00 34.13 32.93 1wf0 s GLU 76 CO 0.01 -1.17 1.09 -1.25 0.02 0.00 0.00 175.26 173.96 1wf0 s PRO 77 N 1.28 2.28 0.32 0.39 0.04 -1.26 -5.02 135.00 133.03 1wf0 s PRO 77 Ca 0.16 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1wf0 s PRO 77 Cb -0.22 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1wf0 s PRO 77 CO -0.06 -1.63 0.84 -1.59 0.04 0.00 0.00 177.00 174.60 1wf0 s LYS 78 N -4.86 4.28 -0.20 4.56 -2.85 -1.26 -5.05 119.74 114.36 1wf0 s LYS 78 Ca 0.61 1.01 -0.12 0.00 -1.00 0.00 0.00 55.97 56.47 1wf0 s LYS 78 Cb -0.17 -2.58 -0.05 0.00 -2.06 0.00 0.00 37.83 32.97 1wf0 s LYS 78 CO 0.55 0.20 0.22 -1.58 0.10 0.00 0.00 175.35 174.84 1wf0 s HIS 79 N -1.82 3.39 -0.15 1.78 2.46 -1.26 -5.08 115.29 114.62 1wf0 s HIS 79 Ca 0.52 0.41 -0.04 0.00 0.47 0.00 0.00 55.06 56.42 1wf0 s HIS 79 Cb -0.14 -2.29 -0.03 0.00 -0.13 0.00 0.00 32.58 30.00 1wf0 s HIS 79 CO 0.19 0.17 -0.03 1.21 -2.47 0.00 0.00 174.74 173.82 1wf0 s ASN 80 N 0.68 4.92 0.23 9.88 2.47 -1.26 -4.98 114.94 126.88 1wf0 s ASN 80 Ca 0.12 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.32 1wf0 s ASN 80 Cb -0.13 -1.75 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 1wf0 s ASN 80 CO 0.03 0.20 0.00 -0.24 -3.72 0.00 0.00 177.10 173.36 1wf0 n SER 81 N 3.35 -3.98 -4.82 -4.21 2.88 -1.26 -4.99 113.62 100.59 1wf0 n SER 81 Ca -0.17 0.63 -0.32 0.00 -1.33 0.00 0.00 58.87 57.68 1wf0 n SER 81 Cb 0.53 -1.51 -0.06 0.00 -0.75 0.00 0.00 64.21 62.41 1wf0 n SER 81 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1wf0 s ASN 82 N -3.16 5.84 -0.16 -3.46 2.47 -1.26 -5.10 114.94 110.11 1wf0 s ASN 82 Ca 0.00 0.16 -0.03 0.00 0.42 0.00 0.00 52.86 53.41 1wf0 s ASN 82 Cb 0.00 -1.70 0.05 0.00 -1.45 0.00 0.00 41.25 38.15 1wf0 s ASN 82 CO 0.00 0.23 0.03 -0.55 -3.72 0.00 0.00 177.10 173.09 1wf0 s SER 83 N -2.02 2.50 0.04 -4.21 0.15 -1.26 -5.14 113.70 103.76 1wf0 s SER 83 Ca 0.27 -0.60 0.03 0.00 0.70 0.00 0.00 55.95 56.35 1wf0 s SER 83 Cb -0.12 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.64 1wf0 s SER 83 CO 0.18 -0.28 -0.10 -0.83 1.20 0.00 0.00 173.24 173.42 1wf0 s GLY 84 N 1.91 0.59 0.52 9.45 0.00 -1.26 -5.14 107.32 113.38 1wf0 s GLY 84 Ca 0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.79 1wf0 s GLY 84 CO -0.07 -0.75 1.14 2.56 0.00 0.00 0.00 173.10 175.98 1wf0 s PRO 85 N -1.28 3.47 0.13 2.90 0.04 -1.26 -4.99 135.00 134.01 1wf0 s PRO 85 Ca -0.04 1.65 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1wf0 s PRO 85 Cb -0.08 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1wf0 s PRO 85 CO 0.01 -0.76 0.00 0.45 0.04 0.00 0.00 177.00 176.74 1wf0 n SER 86 N -1.07 0.83 -4.58 6.66 2.88 -1.26 -5.06 113.62 112.02 1wf0 n SER 86 Ca 0.10 0.20 -0.47 0.00 -1.33 0.00 0.00 58.87 57.37 1wf0 n SER 86 Cb 0.50 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1wf0 n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wf0 n SER 87 N -3.45 1.25 0.00 -3.46 3.41 -1.26 -5.39 113.62 104.73 1wf0 n SER 87 Ca 0.00 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 1wf0 n SER 87 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49