#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 -1.05 -0.85 1.61 1.04 -1.26 -5.11 113.70 108.09 1wf0 s SER 2 Ca 0.00 0.93 -0.22 0.00 0.48 0.00 0.00 55.95 57.14 1wf0 s SER 2 Cb 0.00 1.99 0.08 0.00 0.10 0.00 0.00 66.02 68.20 1wf0 s SER 2 CO 0.00 -0.20 1.17 -0.94 0.98 0.00 0.00 173.24 174.25 1wf0 s SER 3 N 2.83 6.41 0.00 7.02 1.04 -1.26 -4.85 113.70 124.88 1wf0 s SER 3 Ca 0.07 -1.41 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1wf0 s SER 3 Cb -0.12 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1wf0 s SER 3 CO -0.18 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.28 1wf0 n GLY 4 N 5.74 -0.30 3.14 7.32 0.00 -1.26 -5.07 105.19 114.76 1wf0 n GLY 4 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1wf0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf0 s SER 5 N -0.90 1.91 -0.43 1.61 0.01 -1.26 -5.09 113.70 109.54 1wf0 s SER 5 Ca 0.00 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1wf0 s SER 5 Cb 0.00 -0.23 0.17 0.00 0.21 0.00 0.00 66.02 66.17 1wf0 s SER 5 CO 0.00 0.20 0.44 -0.55 0.41 0.00 0.00 173.24 173.74 1wf0 s SER 6 N -0.35 0.68 -0.03 2.44 0.15 -1.26 -4.64 113.70 110.70 1wf0 s SER 6 Ca 0.06 -2.58 0.00 0.00 0.70 0.00 0.00 55.95 54.13 1wf0 s SER 6 Cb -0.07 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1wf0 s SER 6 CO -0.00 -0.15 0.02 -0.83 1.20 0.00 0.00 173.24 173.47 1wf0 s GLY 7 N 0.41 0.17 -0.00 9.45 0.00 -1.26 -2.04 107.32 114.05 1wf0 s GLY 7 Ca 0.30 0.23 0.06 0.00 0.00 0.00 0.00 44.72 45.32 1wf0 s GLY 7 CO -0.14 0.70 -0.18 -1.34 0.00 0.00 0.00 173.10 172.14 1wf0 s VAL 8 N 1.13 1.46 -0.26 1.40 -7.23 -0.70 -2.85 120.40 113.35 1wf0 s VAL 8 Ca -0.08 -0.84 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 1wf0 s VAL 8 Cb -0.13 -1.22 -0.02 0.00 0.56 0.00 0.00 36.38 35.56 1wf0 s VAL 8 CO -0.02 0.37 0.57 -0.36 -0.31 0.00 0.00 175.10 175.35 1wf0 s PHE 9 N -0.49 3.28 -0.85 2.82 0.08 0.14 -2.25 117.98 120.71 1wf0 s PHE 9 Ca 0.07 0.73 -0.14 0.00 0.12 0.00 0.00 56.93 57.71 1wf0 s PHE 9 Cb -0.07 -2.78 0.21 0.00 -0.57 0.00 0.00 43.02 39.81 1wf0 s PHE 9 CO -0.00 -0.30 0.83 0.08 -0.10 0.00 0.00 175.22 175.72 1wf0 s VAL 10 N 2.40 5.52 0.20 -0.44 1.01 -0.43 -2.97 120.40 125.69 1wf0 s VAL 10 Ca 0.24 -2.40 -0.03 0.00 0.00 0.00 0.00 61.98 59.79 1wf0 s VAL 10 Cb -0.16 -4.51 0.05 0.00 0.00 0.00 0.00 36.38 31.76 1wf0 s VAL 10 CO 0.09 -1.09 0.20 0.61 0.00 0.00 0.00 175.10 174.90 1wf0 n GLY 11 N 4.11 -2.09 3.83 4.51 0.00 -1.25 -2.71 105.19 111.59 1wf0 n GLY 11 Ca 0.16 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.89 -4.34 -3.30 1.61 1.74 0.01 -4.32 116.66 106.17 1wf0 n ARG 12 Ca 0.03 0.52 -0.20 0.00 -0.77 0.00 0.00 57.85 57.43 1wf0 n ARG 12 Cb 0.10 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.22 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf0 s THR 14 N -2.30 1.18 0.31 0.00 -4.23 -1.26 -4.31 115.64 105.04 1wf0 s THR 14 Ca 0.47 -0.54 0.04 0.00 -1.18 0.00 0.00 61.69 60.48 1wf0 s THR 14 Cb -0.10 -1.06 0.41 0.00 1.34 0.00 0.00 72.50 73.09 1wf0 s THR 14 CO 0.33 0.36 1.57 1.23 -0.54 0.00 0.00 174.62 177.57 1wf0 h GLY 15 N 6.70 1.36 -1.00 3.99 0.00 -1.99 0.29 103.07 112.42 1wf0 h GLY 15 Ca -0.31 0.12 0.26 0.00 0.00 0.00 0.00 47.33 47.40 1wf0 h GLY 15 CO 0.48 -0.55 -0.02 1.34 0.00 0.00 0.00 176.54 177.79 1wf0 n ASP 16 N -5.46 -0.16 -4.71 0.19 2.03 -1.26 -4.44 116.55 102.73 1wf0 n ASP 16 Ca 0.25 1.70 -0.38 0.00 0.52 0.00 0.00 54.79 56.88 1wf0 n ASP 16 Cb 0.82 -0.60 0.05 0.00 -0.72 0.00 0.00 41.12 40.67 1wf0 n ASP 16 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1wf0 n MET 17 N -5.52 1.37 -4.37 -0.67 2.81 0.10 -5.03 117.12 105.82 1wf0 n MET 17 Ca 0.22 0.52 -0.21 0.00 -1.81 0.00 0.00 57.70 56.42 1wf0 n MET 17 Cb 0.73 -2.48 -0.13 0.00 -0.71 0.00 0.00 33.22 30.63 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 -1.35 1.25 0.45 2.03 -4.23 -1.26 -4.96 115.64 107.56 1wf0 s THR 18 Ca 0.75 -1.12 0.37 0.00 -1.18 0.00 0.00 61.69 60.52 1wf0 s THR 18 Cb -0.41 -1.13 0.56 0.00 1.34 0.00 0.00 72.50 72.86 1wf0 s THR 18 CO 0.46 -0.00 1.42 -0.62 -0.54 0.00 0.00 174.62 175.34 1wf0 n GLU 19 N 1.73 -0.02 0.01 3.99 1.02 -1.26 0.14 120.64 126.26 1wf0 n GLU 19 Ca -0.18 1.06 -0.13 0.00 -0.02 0.00 0.00 57.16 57.89 1wf0 n GLU 19 Cb 0.54 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.62 1wf0 n GLU 19 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wf0 h ASP 20 N 0.00 -0.01 0.38 1.62 3.32 -1.94 0.12 116.42 119.91 1wf0 h ASP 20 Ca 0.83 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 1wf0 h ASP 20 Cb 3.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 42.52 1wf0 h ASP 20 CO -0.22 0.30 -0.47 -0.33 -1.72 0.00 0.00 179.24 176.80 1wf0 h GLU 21 N -0.32 -0.85 -0.45 3.56 4.39 0.84 0.03 114.58 121.77 1wf0 h GLU 21 Ca -0.00 0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1wf0 h GLU 21 Cb 0.32 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1wf0 h GLU 21 CO 0.00 -0.57 0.29 -0.07 -1.16 0.00 0.00 179.01 177.51 1wf0 h LEU 22 N -0.88 0.50 -1.24 1.33 3.38 -1.54 -0.05 115.31 116.81 1wf0 h LEU 22 Ca -0.04 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.07 1wf0 h LEU 22 Cb 0.80 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 1wf0 h LEU 22 CO -0.11 0.36 0.59 -0.09 0.09 0.00 0.00 178.44 179.28 1wf0 h ARG 23 N 0.60 0.71 0.00 1.13 2.43 -0.48 0.46 114.38 119.22 1wf0 h ARG 23 Ca 0.17 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wf0 h ARG 23 Cb -0.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1wf0 h ARG 23 CO -0.05 0.47 -0.32 0.93 -1.51 0.00 0.00 179.97 179.49 1wf0 h GLU 24 N 0.73 0.00 0.00 0.20 5.08 -0.32 -2.64 114.58 117.63 1wf0 h GLU 24 Ca 0.46 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.56 1wf0 h GLU 24 Cb 0.72 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1wf0 h GLU 24 CO -0.22 0.00 -1.56 0.35 -1.00 0.00 0.00 179.01 176.58 1wf0 h PHE 25 N 0.00 0.00 -0.01 4.33 3.57 0.14 -3.34 116.94 121.63 1wf0 h PHE 25 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1wf0 h PHE 25 Cb 0.78 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1wf0 h PHE 25 CO 0.00 0.96 -0.41 1.19 -2.23 0.00 0.00 178.31 177.82 1wf0 n PHE 26 N -3.08 0.00 0.22 0.41 3.72 0.12 -4.04 117.46 114.81 1wf0 n PHE 26 Ca -0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1wf0 n PHE 26 Cb 1.01 -0.05 0.29 0.00 -0.94 0.00 0.00 39.48 39.79 1wf0 n PHE 26 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wf0 h SER 27 N 1.87 0.00 1.18 4.37 0.02 -1.58 -3.05 113.55 116.36 1wf0 h SER 27 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1wf0 h SER 27 Cb 0.65 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1wf0 h SER 27 CO 0.00 0.12 -0.64 0.06 -1.14 0.00 0.00 176.83 175.23 1wf0 h GLN 28 N 0.00 0.00 0.03 3.45 3.07 -1.74 -3.31 115.11 116.60 1wf0 h GLN 28 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 1wf0 h GLN 28 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.51 1wf0 h GLN 28 CO 0.02 0.64 -0.35 1.88 0.09 0.00 0.00 178.83 181.11 1wf0 h TYR 29 N 0.00 0.30 0.00 0.06 -1.99 -1.76 -3.49 116.97 110.08 1wf0 h TYR 29 Ca -0.01 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1wf0 h TYR 29 Cb 1.41 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1wf0 h TYR 29 CO 0.00 1.05 0.00 0.41 -0.00 0.00 0.00 178.16 179.62 1wf0 n GLY 30 N 1.28 3.76 2.68 3.88 0.00 -1.16 -5.11 105.19 110.52 1wf0 n GLY 30 Ca -0.11 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1wf0 n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wf0 s ASP 31 N 1.59 3.52 -0.12 1.61 2.15 -1.26 -4.66 116.67 119.51 1wf0 s ASP 31 Ca 0.00 -2.63 -0.29 0.00 0.43 0.00 0.00 52.55 50.05 1wf0 s ASP 31 Cb 0.00 -0.96 -0.02 0.00 -0.30 0.00 0.00 42.92 41.64 1wf0 s ASP 31 CO 0.00 -0.26 1.25 0.54 -0.17 0.00 0.00 175.17 176.53 1wf0 s VAL 32 N 0.37 4.25 0.02 1.11 0.11 -1.26 -1.30 120.40 123.70 1wf0 s VAL 32 Ca 0.18 1.54 -0.26 0.00 -2.93 0.00 0.00 61.98 60.51 1wf0 s VAL 32 Cb -0.22 -3.99 -0.17 0.00 -1.53 0.00 0.00 36.38 30.47 1wf0 s VAL 32 CO -0.01 -0.09 1.29 0.24 -3.33 0.00 0.00 175.10 173.21 1wf0 h MET 33 N 7.96 -0.51 -2.93 1.54 2.86 -1.62 -3.45 114.93 118.78 1wf0 h MET 33 Ca -0.29 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1wf0 h MET 33 Cb 1.13 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 1wf0 h MET 33 CO 0.94 -0.21 0.28 0.34 1.06 0.00 0.00 176.91 179.33 1wf0 s ASP 34 N -4.92 -0.13 -0.13 1.22 -1.08 -1.21 -5.04 116.67 105.39 1wf0 s ASP 34 Ca -0.15 -0.83 -0.04 0.00 -0.52 0.00 0.00 52.55 51.02 1wf0 s ASP 34 Cb 0.02 0.75 0.06 0.00 -1.46 0.00 0.00 42.92 42.29 1wf0 s ASP 34 CO 0.54 -1.45 0.12 -0.69 0.52 0.00 0.00 175.17 174.22 1wf0 s VAL 35 N -3.10 -0.17 0.26 1.11 1.01 -1.26 -2.09 120.40 116.16 1wf0 s VAL 35 Ca 0.14 0.09 0.09 0.00 0.00 0.00 0.00 61.98 62.30 1wf0 s VAL 35 Cb -0.05 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1wf0 s VAL 35 CO 0.08 -0.07 0.01 0.12 0.00 0.00 0.00 175.10 175.24 1wf0 s PHE 36 N 2.21 2.72 -0.38 5.22 5.36 -0.81 -4.84 117.98 127.46 1wf0 s PHE 36 Ca 0.04 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 1wf0 s PHE 36 Cb -0.14 -1.21 0.11 0.00 -0.34 0.00 0.00 43.02 41.44 1wf0 s PHE 36 CO -0.07 0.61 0.14 0.42 -1.46 0.00 0.00 175.22 174.85 1wf0 s ILE 37 N -2.29 1.62 0.19 3.12 1.01 -1.26 -2.23 121.20 121.36 1wf0 s ILE 37 Ca 0.31 -2.19 -0.30 0.00 0.00 0.00 0.00 60.65 58.47 1wf0 s ILE 37 Cb -0.07 -2.18 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 1wf0 s ILE 37 CO 0.20 -0.72 1.31 -2.16 0.00 0.00 0.00 174.94 173.56 1wf0 s PRO 38 N 0.87 4.39 0.12 2.79 0.04 -1.26 -4.93 135.00 137.01 1wf0 s PRO 38 Ca 0.13 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.24 1wf0 s PRO 38 Cb -0.21 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1wf0 s PRO 38 CO -0.11 -0.25 0.22 0.15 0.04 0.00 0.00 177.00 177.05 1wf0 s LYS 39 N -0.07 3.31 0.33 4.56 -0.14 -1.26 -3.53 119.74 122.94 1wf0 s LYS 39 Ca 0.57 -0.60 -0.28 0.00 -1.36 0.00 0.00 55.97 54.30 1wf0 s LYS 39 Cb -0.36 -2.92 -0.10 0.00 -1.68 0.00 0.00 37.83 32.77 1wf0 s LYS 39 CO 0.38 0.55 1.22 -1.25 -0.76 0.00 0.00 175.35 175.48 1wf0 s PRO 40 N -2.91 4.36 -0.23 -1.68 0.04 -1.26 -5.12 135.00 128.21 1wf0 s PRO 40 Ca 0.34 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 63.13 1wf0 s PRO 40 Cb -0.12 -3.01 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 1wf0 s PRO 40 CO 0.27 -0.11 0.88 0.12 0.04 0.00 0.00 177.00 178.20 1wf0 s PHE 41 N -1.21 3.34 -0.62 0.56 5.36 -1.23 -4.99 117.98 119.18 1wf0 s PHE 41 Ca 0.50 1.24 0.04 0.00 -0.96 0.00 0.00 56.93 57.75 1wf0 s PHE 41 Cb -0.35 -3.10 0.16 0.00 -0.34 0.00 0.00 43.02 39.39 1wf0 s PHE 41 CO 0.46 -0.39 0.43 1.03 -1.46 0.00 0.00 175.22 175.29 1wf0 s ARG 42 N 2.81 2.07 -1.76 10.12 0.52 -1.26 -4.86 118.95 126.59 1wf0 s ARG 42 Ca 0.38 -2.97 -0.18 0.00 -0.52 0.00 0.00 55.73 52.43 1wf0 s ARG 42 Cb -0.15 -3.00 0.17 0.00 0.52 0.00 0.00 34.95 32.49 1wf0 s ARG 42 CO 0.08 -1.28 0.58 0.00 0.02 0.00 0.00 175.30 174.70 1wf0 n ALA 43 N 2.34 -1.37 -3.50 2.13 0.00 -1.26 -4.83 120.51 114.03 1wf0 n ALA 43 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 1wf0 n ALA 43 Cb 0.37 -2.56 -0.05 0.00 0.00 0.00 0.00 19.45 17.21 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 -3.44 -0.62 0.11 0.00 -0.12 -1.26 -0.42 117.98 112.23 1wf0 s PHE 44 Ca 0.66 0.91 -0.05 0.00 -0.05 0.00 0.00 56.93 58.40 1wf0 s PHE 44 Cb -0.38 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.44 1wf0 s PHE 44 CO 0.99 -0.66 0.13 0.00 -0.05 0.00 0.00 175.22 175.63 1wf0 s ALA 45 N -1.84 0.27 -0.27 1.99 0.00 -1.10 -4.84 121.76 115.97 1wf0 s ALA 45 Ca -0.08 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 1wf0 s ALA 45 Cb -0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1wf0 s ALA 45 CO 0.04 -0.51 0.04 0.12 0.00 0.00 0.00 175.76 175.45 1wf0 s PHE 46 N -3.95 3.10 0.00 0.00 5.36 -0.95 -1.31 117.98 120.23 1wf0 s PHE 46 Ca 0.13 -0.93 0.04 0.00 -0.96 0.00 0.00 56.93 55.21 1wf0 s PHE 46 Cb 0.06 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1wf0 s PHE 46 CO -0.05 -0.55 -0.09 0.08 -1.46 0.00 0.00 175.22 173.15 1wf0 s VAL 47 N 1.50 3.46 -0.07 3.12 1.01 -0.95 -1.93 120.40 126.53 1wf0 s VAL 47 Ca 0.04 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1wf0 s VAL 47 Cb -0.16 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1wf0 s VAL 47 CO 0.01 0.41 -0.21 -0.89 0.00 0.00 0.00 175.10 174.42 1wf0 s THR 48 N -0.95 2.43 -0.08 3.92 2.01 -0.89 -1.71 115.64 120.36 1wf0 s THR 48 Ca 0.16 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.25 1wf0 s THR 48 Cb -0.11 -1.93 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1wf0 s THR 48 CO 0.06 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.08 1wf0 s PHE 49 N -0.14 2.81 0.47 4.92 0.08 -0.87 -1.69 117.98 123.56 1wf0 s PHE 49 Ca -0.03 -0.23 0.22 0.00 0.12 0.00 0.00 56.93 57.00 1wf0 s PHE 49 Cb -0.14 -1.72 1.18 0.00 -0.57 0.00 0.00 43.02 41.77 1wf0 s PHE 49 CO 0.04 0.12 1.63 0.00 -0.10 0.00 0.00 175.22 176.90 1wf0 h ALA 50 N 5.73 1.36 -3.87 5.36 0.00 -1.52 -3.39 119.26 122.93 1wf0 h ALA 50 Ca -0.41 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.18 1wf0 h ALA 50 Cb 1.17 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.68 1wf0 h ALA 50 CO 0.53 -0.36 -0.75 -0.51 0.00 0.00 0.00 179.25 178.16 1wf0 s ASP 51 N -3.96 0.61 0.41 0.00 1.11 -1.26 -5.03 116.67 108.54 1wf0 s ASP 51 Ca -0.02 -0.11 0.22 0.00 0.18 0.00 0.00 52.55 52.82 1wf0 s ASP 51 Cb 0.06 -0.06 0.69 0.00 1.07 0.00 0.00 42.92 44.68 1wf0 s ASP 51 CO 0.20 0.05 1.73 -0.78 1.18 0.00 0.00 175.17 177.54 1wf0 h ASP 52 N 5.96 0.00 0.54 0.27 1.82 -1.82 -2.96 116.42 120.23 1wf0 h ASP 52 Ca -0.28 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.34 1wf0 h ASP 52 Cb 1.19 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.20 1wf0 h ASP 52 CO 0.50 0.26 -0.09 1.56 -1.61 0.00 0.00 179.24 179.86 1wf0 h GLN 53 N 0.00 0.00 0.16 0.28 1.08 -1.95 -1.63 115.11 113.06 1wf0 h GLN 53 Ca -0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 1wf0 h GLN 53 Cb 0.91 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1wf0 h GLN 53 CO 0.03 0.09 -1.58 0.82 -0.95 0.00 0.00 178.83 177.25 1wf0 h ILE 54 N 0.00 1.01 0.39 2.54 2.04 -1.92 -2.86 117.51 118.70 1wf0 h ILE 54 Ca -0.00 -2.48 -0.02 0.00 1.00 0.00 0.00 64.86 63.36 1wf0 h ILE 54 Cb 0.39 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 39.25 1wf0 h ILE 54 CO 0.01 0.80 -0.19 0.00 0.00 0.00 0.00 178.15 178.77 1wf0 h ALA 55 N 0.05 -0.52 -0.08 1.87 0.00 -1.52 -1.95 119.26 117.12 1wf0 h ALA 55 Ca -0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1wf0 h ALA 55 Cb 1.96 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 1wf0 h ALA 55 CO 0.14 -0.66 0.04 0.37 0.00 0.00 0.00 179.25 179.14 1wf0 h GLN 56 N -0.79 0.11 -0.58 0.00 -0.00 -1.49 -1.19 115.11 111.17 1wf0 h GLN 56 Ca -0.05 -0.01 0.15 0.00 -0.00 0.00 0.00 58.65 58.73 1wf0 h GLN 56 Cb 0.53 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 1wf0 h GLN 56 CO 0.09 0.15 0.40 1.03 0.00 0.00 0.00 178.83 180.50 1wf0 h SER 57 N 0.04 0.12 0.36 -0.69 0.87 -1.55 -0.33 113.55 112.36 1wf0 h SER 57 Ca 0.03 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.32 1wf0 h SER 57 Cb 0.07 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1wf0 h SER 57 CO -0.00 0.06 -1.17 -0.07 -0.53 0.00 0.00 176.83 175.11 1wf0 h LEU 58 N 0.13 0.63 -9.22 2.23 3.38 -0.77 -3.44 115.31 108.25 1wf0 h LEU 58 Ca 0.28 -0.60 -0.70 0.00 0.09 0.00 0.00 57.88 56.95 1wf0 h LEU 58 Cb 0.92 -0.20 0.06 0.00 0.09 0.00 0.00 40.66 41.53 1wf0 h LEU 58 CO -0.03 1.43 0.32 0.00 0.09 0.00 0.00 178.44 180.24 1wf0 n GLY 60 N 2.21 3.10 3.72 0.00 0.00 0.64 -4.95 105.19 109.91 1wf0 n GLY 60 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.34 4.60 -0.25 1.61 0.41 0.63 -4.85 118.70 120.51 1wf0 s GLU 61 Ca 0.00 1.49 -0.21 0.00 -0.41 0.00 0.00 54.97 55.84 1wf0 s GLU 61 Cb 0.00 -3.40 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1wf0 s GLU 61 CO 0.00 0.04 0.64 -0.51 -0.49 0.00 0.00 175.26 174.94 1wf0 s ASP 62 N 0.54 6.59 0.05 -0.19 1.01 -1.26 -3.70 116.67 119.71 1wf0 s ASP 62 Ca 0.50 0.72 0.06 0.00 0.71 0.00 0.00 52.55 54.55 1wf0 s ASP 62 Cb -0.23 -2.34 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 1wf0 s ASP 62 CO 0.29 -0.38 -0.13 -0.76 0.21 0.00 0.00 175.17 174.40 1wf0 s LEU 63 N 2.53 2.88 -0.19 1.23 1.43 -1.10 -4.95 118.68 120.51 1wf0 s LEU 63 Ca 0.27 -0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 1wf0 s LEU 63 Cb -0.15 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1wf0 s LEU 63 CO 0.08 0.24 0.03 -0.63 0.23 0.00 0.00 176.35 176.30 1wf0 s ILE 64 N -1.03 4.34 -0.34 -0.59 -1.09 -1.26 -0.83 121.20 120.41 1wf0 s ILE 64 Ca 0.17 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1wf0 s ILE 64 Cb -0.11 -2.95 0.10 0.00 -1.58 0.00 0.00 42.46 37.92 1wf0 s ILE 64 CO 0.08 0.45 0.10 -0.63 -1.23 0.00 0.00 174.94 173.71 1wf0 s ILE 65 N 0.64 1.38 -0.01 2.92 1.01 0.45 -4.72 121.20 122.87 1wf0 s ILE 65 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 60.65 58.83 1wf0 s ILE 65 Cb -0.14 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.31 1wf0 s ILE 65 CO 0.02 -0.68 0.00 0.29 0.00 0.00 0.00 174.94 174.57 1wf0 n LYS 66 N 4.51 -0.14 0.00 2.79 5.02 -1.26 -3.47 118.16 125.62 1wf0 n LYS 66 Ca 0.01 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1wf0 n LYS 66 Cb 0.41 -3.17 0.00 0.00 -0.02 0.00 0.00 35.03 32.25 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 -2.73 2.80 3.83 0.72 0.00 -1.26 -5.09 105.19 103.46 1wf0 n GLY 67 Ca -0.00 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.10 4.24 -0.08 -0.61 -5.25 -1.23 -4.97 121.20 113.21 1wf0 s ILE 68 Ca 0.00 1.05 -0.00 0.00 -0.99 0.00 0.00 60.65 60.70 1wf0 s ILE 68 Cb 0.00 -3.59 -0.03 0.00 2.95 0.00 0.00 42.46 41.79 1wf0 s ILE 68 CO 0.00 -0.64 -0.04 -0.55 -1.79 0.00 0.00 174.94 171.92 1wf0 s SER 69 N -3.03 4.86 0.09 4.36 0.15 -1.26 -0.41 113.70 118.46 1wf0 s SER 69 Ca 0.61 0.03 0.09 0.00 0.70 0.00 0.00 55.95 57.38 1wf0 s SER 69 Cb -0.12 -1.31 -0.03 0.00 -1.71 0.00 0.00 66.02 62.84 1wf0 s SER 69 CO 0.35 0.36 -0.25 0.68 1.20 0.00 0.00 173.24 175.58 1wf0 s VAL 70 N -0.77 2.03 -0.32 4.45 -7.23 -0.01 -4.84 120.40 113.71 1wf0 s VAL 70 Ca 0.12 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 1wf0 s VAL 70 Cb -0.11 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 35.04 1wf0 s VAL 70 CO 0.02 0.16 0.18 -2.28 -0.31 0.00 0.00 175.10 172.87 1wf0 s HIS 71 N -0.96 3.20 0.10 2.82 5.65 -1.26 -2.71 115.29 122.13 1wf0 s HIS 71 Ca 0.11 -0.52 -0.30 0.00 0.25 0.00 0.00 55.06 54.60 1wf0 s HIS 71 Cb -0.10 -2.39 -0.06 0.00 -1.18 0.00 0.00 32.58 28.85 1wf0 s HIS 71 CO 0.04 -0.45 1.00 0.42 -0.65 0.00 0.00 174.74 175.10 1wf0 s ILE 72 N 1.64 4.42 -0.08 0.89 -1.09 -1.24 -3.76 121.20 121.97 1wf0 s ILE 72 Ca 0.05 1.95 -0.03 0.00 -2.23 0.00 0.00 60.65 60.38 1wf0 s ILE 72 Cb -0.17 -4.25 0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1wf0 s ILE 72 CO 0.07 0.27 0.17 -0.55 -1.23 0.00 0.00 174.94 173.68 1wf0 s SER 73 N 0.21 0.04 -0.45 3.58 0.15 -1.16 -0.26 113.70 115.81 1wf0 s SER 73 Ca 0.49 0.37 -0.23 0.00 0.70 0.00 0.00 55.95 57.28 1wf0 s SER 73 Cb -0.24 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.37 1wf0 s SER 73 CO 0.30 -0.17 0.77 0.21 1.20 0.00 0.00 173.24 175.55 1wf0 s ASN 74 N 1.46 6.40 0.08 5.45 2.47 -1.26 0.25 114.94 129.79 1wf0 s ASN 74 Ca -0.06 -0.13 0.03 0.00 0.42 0.00 0.00 52.86 53.12 1wf0 s ASN 74 Cb -0.11 -2.38 -0.03 0.00 -1.45 0.00 0.00 41.25 37.27 1wf0 s ASN 74 CO -0.07 -0.91 -0.10 0.00 -3.72 0.00 0.00 177.10 172.31 1wf0 s ALA 75 N 3.26 0.97 -0.34 1.71 0.00 -1.13 -4.98 121.76 121.24 1wf0 s ALA 75 Ca 0.29 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wf0 s ALA 75 Cb -0.12 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.15 1wf0 s ALA 75 CO 0.22 -0.01 0.19 -1.21 0.00 0.00 0.00 175.76 174.96 1wf0 s GLU 76 N -2.33 0.50 0.90 0.00 2.02 -1.26 -4.62 118.70 113.91 1wf0 s GLU 76 Ca 0.00 -1.19 -0.12 0.00 0.02 0.00 0.00 54.97 53.69 1wf0 s GLU 76 Cb -0.06 -1.30 0.13 0.00 0.10 0.00 0.00 34.13 33.00 1wf0 s GLU 76 CO 0.00 -1.17 1.09 -1.25 0.02 0.00 0.00 175.26 173.95 1wf0 s PRO 77 N 1.26 1.19 -0.15 0.39 0.04 -1.26 -4.99 135.00 131.47 1wf0 s PRO 77 Ca 0.16 0.80 -0.26 0.00 0.04 0.00 0.00 61.00 61.74 1wf0 s PRO 77 Cb -0.22 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1wf0 s PRO 77 CO -0.07 -2.28 0.85 0.15 0.04 0.00 0.00 177.00 175.70 1wf0 s LYS 78 N -4.94 4.32 0.78 4.56 1.02 -1.26 -5.05 119.74 119.17 1wf0 s LYS 78 Ca 0.64 1.07 -0.10 0.00 0.02 0.00 0.00 55.97 57.59 1wf0 s LYS 78 Cb -0.18 -3.56 0.09 0.00 -0.52 0.00 0.00 37.83 33.66 1wf0 s LYS 78 CO 0.57 -0.31 1.12 -1.58 -0.92 0.00 0.00 175.35 174.23 1wf0 s HIS 79 N 2.06 2.71 -0.08 3.18 2.46 -1.26 -5.09 115.29 119.26 1wf0 s HIS 79 Ca 0.40 0.52 -0.02 0.00 0.47 0.00 0.00 55.06 56.43 1wf0 s HIS 79 Cb -0.17 -3.42 0.03 0.00 -0.13 0.00 0.00 32.58 28.89 1wf0 s HIS 79 CO 0.13 -1.72 0.01 -0.80 -2.47 0.00 0.00 174.74 169.90 1wf0 s ASN 80 N -4.60 1.71 -0.77 9.88 -0.87 -1.26 -5.08 114.94 113.95 1wf0 s ASN 80 Ca 0.63 -0.16 0.03 0.00 -1.57 0.00 0.00 52.86 51.79 1wf0 s ASN 80 Cb -0.10 -0.42 0.19 0.00 -0.02 0.00 0.00 41.25 40.90 1wf0 s ASN 80 CO 0.47 -0.22 0.59 -0.44 -2.57 0.00 0.00 177.10 174.93 1wf0 s SER 81 N 1.99 5.20 0.37 -1.22 0.01 -1.26 -5.08 113.70 113.70 1wf0 s SER 81 Ca 0.04 -3.84 -0.25 0.00 1.31 0.00 0.00 55.95 53.21 1wf0 s SER 81 Cb -0.13 -1.72 -0.09 0.00 0.21 0.00 0.00 66.02 64.29 1wf0 s SER 81 CO -0.05 -0.11 1.05 0.21 0.41 0.00 0.00 173.24 174.75 1wf0 s ASN 82 N -1.09 6.90 0.29 2.44 3.84 -1.26 -5.06 114.94 121.01 1wf0 s ASN 82 Ca 0.26 2.07 0.09 0.00 0.21 0.00 0.00 52.86 55.49 1wf0 s ASN 82 Cb -0.05 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1wf0 s ASN 82 CO -0.16 -0.39 0.07 -0.44 -2.79 0.00 0.00 177.10 173.40 1wf0 s SER 83 N -1.42 4.70 -0.13 -4.21 0.01 -1.26 -5.14 113.70 106.25 1wf0 s SER 83 Ca 0.54 -0.65 -0.30 0.00 1.31 0.00 0.00 55.95 56.86 1wf0 s SER 83 Cb -0.24 -0.86 0.10 0.00 0.21 0.00 0.00 66.02 65.22 1wf0 s SER 83 CO 0.30 -0.12 0.84 -0.83 0.41 0.00 0.00 173.24 173.85 1wf0 s GLY 84 N -3.76 -0.41 1.14 3.44 0.00 -1.26 -5.18 107.32 101.29 1wf0 s GLY 84 Ca 0.34 1.79 -0.17 0.00 0.00 0.00 0.00 44.72 46.68 1wf0 s GLY 84 CO 0.21 1.14 1.11 2.56 0.00 0.00 0.00 173.10 178.12 1wf0 s PRO 85 N -0.89 -0.70 0.12 2.90 0.04 -1.26 -5.06 135.00 130.14 1wf0 s PRO 85 Ca -0.05 0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.13 1wf0 s PRO 85 Cb -0.01 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 1wf0 s PRO 85 CO 0.04 -3.40 0.19 -1.54 0.04 0.00 0.00 177.00 172.33 1wf0 s SER 86 N -3.76 5.99 0.22 6.66 1.04 -1.26 -5.04 113.70 117.55 1wf0 s SER 86 Ca 0.69 0.09 -0.19 0.00 0.48 0.00 0.00 55.95 57.02 1wf0 s SER 86 Cb -0.13 -1.73 -0.13 0.00 0.10 0.00 0.00 66.02 64.14 1wf0 s SER 86 CO 0.57 0.11 0.25 -1.20 0.98 0.00 0.00 173.24 173.94 1wf0 n SER 87 N -0.09 -1.53 0.00 7.02 7.64 -1.26 -5.38 113.62 120.01 1wf0 n SER 87 Ca -0.07 0.75 0.00 0.00 1.01 0.00 0.00 58.87 60.56 1wf0 n SER 87 Cb 0.53 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64