#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 -0.66 -0.37 1.61 0.01 -1.26 -5.13 113.70 107.90 1wf0 s SER 2 Ca 0.00 1.07 -0.00 0.00 1.31 0.00 0.00 55.95 58.33 1wf0 s SER 2 Cb 0.00 1.01 0.19 0.00 0.21 0.00 0.00 66.02 67.43 1wf0 s SER 2 CO 0.00 -0.37 0.83 -0.55 0.41 0.00 0.00 173.24 173.57 1wf0 s SER 3 N -0.27 -0.96 0.00 2.44 0.15 -1.26 -5.16 113.70 108.64 1wf0 s SER 3 Ca -0.03 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1wf0 s SER 3 Cb -0.03 1.23 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1wf0 s SER 3 CO 0.03 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wf0 n GLY 4 N 3.98 -1.23 2.98 9.45 0.00 -1.26 -5.13 105.19 113.98 1wf0 n GLY 4 Ca 0.09 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.69 -0.70 -0.90 1.61 0.01 -1.26 -5.06 113.70 104.70 1wf0 s SER 5 Ca 0.00 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1wf0 s SER 5 Cb 0.00 1.08 0.33 0.00 0.21 0.00 0.00 66.02 67.64 1wf0 s SER 5 CO 0.00 -0.10 1.65 -1.20 0.41 0.00 0.00 173.24 174.01 1wf0 n SER 6 N 4.34 6.74 -4.72 2.44 7.64 -1.26 -5.00 113.62 123.79 1wf0 n SER 6 Ca 0.08 -3.71 -0.25 0.00 1.01 0.00 0.00 58.87 56.00 1wf0 n SER 6 Cb 0.60 -1.02 -0.08 0.00 -1.01 0.00 0.00 64.21 62.70 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wf0 s GLY 7 N -1.80 2.36 0.03 0.23 0.00 -1.26 -0.83 107.32 106.04 1wf0 s GLY 7 Ca 0.43 -2.14 -0.07 0.00 0.00 0.00 0.00 44.72 42.93 1wf0 s GLY 7 CO -0.16 -1.94 0.13 -1.34 0.00 0.00 0.00 173.10 169.79 1wf0 s VAL 8 N -2.62 0.11 -0.18 1.40 -7.23 0.15 -4.54 120.40 107.50 1wf0 s VAL 8 Ca 0.40 -0.90 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1wf0 s VAL 8 Cb 0.05 -0.74 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 1wf0 s VAL 8 CO 0.22 -0.50 0.31 -0.36 -0.31 0.00 0.00 175.10 174.46 1wf0 s PHE 9 N -2.17 3.42 -0.72 2.82 0.08 0.29 -2.17 117.98 119.54 1wf0 s PHE 9 Ca -0.08 0.56 -0.06 0.00 0.12 0.00 0.00 56.93 57.46 1wf0 s PHE 9 Cb -0.03 -2.39 0.19 0.00 -0.57 0.00 0.00 43.02 40.22 1wf0 s PHE 9 CO -0.02 0.15 0.57 0.08 -0.10 0.00 0.00 175.22 175.90 1wf0 s VAL 10 N 0.77 4.34 0.00 -0.44 1.01 -0.56 -2.85 120.40 122.67 1wf0 s VAL 10 Ca 0.16 -2.93 0.00 0.00 0.00 0.00 0.00 61.98 59.21 1wf0 s VAL 10 Cb -0.13 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1wf0 s VAL 10 CO 0.05 -0.95 0.00 0.61 0.00 0.00 0.00 175.10 174.81 1wf0 n GLY 11 N 3.48 -2.00 4.21 4.51 0.00 -1.24 -2.68 105.19 111.48 1wf0 n GLY 11 Ca 0.11 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.33 -1.21 -3.14 1.61 1.74 -0.30 -4.38 116.66 110.66 1wf0 n ARG 12 Ca 0.00 0.14 -0.19 0.00 -0.77 0.00 0.00 57.85 57.03 1wf0 n ARG 12 Cb 0.00 -4.71 0.02 0.00 -1.02 0.00 0.00 32.46 26.74 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 -2.46 1.06 0.22 0.00 -4.23 -1.26 -4.40 115.64 104.57 1wf0 s THR 14 Ca 0.55 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 60.08 1wf0 s THR 14 Cb -0.08 -0.95 0.17 0.00 1.34 0.00 0.00 72.50 72.98 1wf0 s THR 14 CO 0.33 0.04 1.78 1.23 -0.54 0.00 0.00 174.62 177.46 1wf0 h GLY 15 N 5.09 1.03 -0.95 3.99 0.00 -1.99 -2.54 103.07 107.70 1wf0 h GLY 15 Ca -0.37 -0.21 0.16 0.00 0.00 0.00 0.00 47.33 46.91 1wf0 h GLY 15 CO 0.45 0.06 -0.33 1.34 0.00 0.00 0.00 176.54 178.06 1wf0 n ASP 16 N -4.87 -0.53 -4.59 0.19 2.03 -1.26 -4.47 116.55 103.05 1wf0 n ASP 16 Ca 0.10 1.66 -0.35 0.00 0.52 0.00 0.00 54.79 56.72 1wf0 n ASP 16 Cb 0.26 -0.42 0.09 0.00 -0.72 0.00 0.00 41.12 40.34 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 -5.45 0.40 -4.19 -0.67 2.81 -0.96 -5.03 117.12 104.02 1wf0 n MET 17 Ca 0.12 0.19 -0.16 0.00 -1.81 0.00 0.00 57.70 56.04 1wf0 n MET 17 Cb 0.41 -2.17 -0.11 0.00 -0.71 0.00 0.00 33.22 30.64 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 -1.90 1.08 0.55 2.03 -4.23 -1.26 -4.98 115.64 106.94 1wf0 s THR 18 Ca 0.71 -1.59 0.44 0.00 -1.18 0.00 0.00 61.69 60.08 1wf0 s THR 18 Cb -0.33 -1.34 0.66 0.00 1.34 0.00 0.00 72.50 72.82 1wf0 s THR 18 CO 0.52 -0.45 1.67 -0.33 -0.54 0.00 0.00 174.62 175.49 1wf0 h GLU 19 N 3.70 0.00 0.10 3.99 3.07 -1.96 0.39 114.58 123.87 1wf0 h GLU 19 Ca -0.39 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1wf0 h GLU 19 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1wf0 h GLU 19 CO 0.50 0.00 -0.05 0.22 -1.40 0.00 0.00 179.01 178.28 1wf0 h ASP 20 N 0.00 -0.11 0.42 1.42 1.82 -1.95 0.27 116.42 118.30 1wf0 h ASP 20 Ca 0.77 -0.23 -0.01 0.00 -0.39 0.00 0.00 57.03 57.16 1wf0 h ASP 20 Cb 3.10 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 43.11 1wf0 h ASP 20 CO -0.01 0.18 -0.51 -0.33 -1.61 0.00 0.00 179.24 176.96 1wf0 h GLU 21 N -0.41 -0.92 -0.69 0.28 5.08 -0.62 0.16 114.58 117.46 1wf0 h GLU 21 Ca -0.01 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1wf0 h GLU 21 Cb 0.34 0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1wf0 h GLU 21 CO 0.02 -0.61 0.44 -0.07 -1.00 0.00 0.00 179.01 177.79 1wf0 h LEU 22 N -0.95 0.81 -1.61 1.33 3.38 -1.57 0.26 115.31 116.95 1wf0 h LEU 22 Ca -0.05 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1wf0 h LEU 22 Cb 0.85 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1wf0 h LEU 22 CO -0.11 0.61 0.33 -0.09 0.09 0.00 0.00 178.44 179.27 1wf0 h ARG 23 N 0.94 0.48 0.00 1.13 2.43 -0.14 0.25 114.38 119.46 1wf0 h ARG 23 Ca 0.25 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1wf0 h ARG 23 Cb -0.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1wf0 h ARG 23 CO -0.05 0.32 -1.12 0.93 -1.51 0.00 0.00 179.97 178.54 1wf0 h GLU 24 N 0.49 0.00 0.05 0.20 4.39 0.09 -2.93 114.58 116.87 1wf0 h GLU 24 Ca 0.21 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.65 1wf0 h GLU 24 Cb 0.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 1wf0 h GLU 24 CO -0.05 0.38 -1.08 0.35 -1.16 0.00 0.00 179.01 177.45 1wf0 h PHE 25 N 0.00 0.77 0.00 4.33 3.57 0.62 -3.22 116.94 123.00 1wf0 h PHE 25 Ca -0.11 -0.45 0.00 0.00 3.53 0.00 0.00 57.97 60.94 1wf0 h PHE 25 Cb 1.52 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1wf0 h PHE 25 CO 0.00 1.29 -0.22 0.74 -2.23 0.00 0.00 178.31 177.89 1wf0 h PHE 26 N 0.25 0.00 -0.17 0.41 0.04 -0.68 -3.28 116.94 113.51 1wf0 h PHE 26 Ca -0.12 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.70 1wf0 h PHE 26 Cb 1.74 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.88 1wf0 h PHE 26 CO 0.08 0.00 0.12 1.03 -0.60 0.00 0.00 178.31 178.94 1wf0 h SER 27 N 0.00 0.00 0.35 2.17 0.87 -1.52 -0.66 113.55 114.76 1wf0 h SER 27 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1wf0 h SER 27 Cb 0.89 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 1wf0 h SER 27 CO 0.00 0.00 -0.73 0.06 -0.53 0.00 0.00 176.83 175.63 1wf0 h GLN 28 N 0.00 0.32 0.19 2.24 3.07 -1.71 -3.30 115.11 115.92 1wf0 h GLN 28 Ca 0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 1wf0 h GLN 28 Cb 0.32 0.06 0.00 0.00 0.08 0.00 0.00 27.48 27.94 1wf0 h GLN 28 CO -0.00 0.92 -0.09 1.88 0.09 0.00 0.00 178.83 181.62 1wf0 h TYR 29 N 0.21 -0.24 0.00 0.06 -1.99 -1.32 -3.49 116.97 110.20 1wf0 h TYR 29 Ca -0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1wf0 h TYR 29 Cb 1.30 0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1wf0 h TYR 29 CO 0.04 0.12 0.00 0.41 -0.00 0.00 0.00 178.16 178.73 1wf0 n GLY 30 N -0.11 3.29 2.67 3.88 0.00 -0.89 -5.11 105.19 108.91 1wf0 n GLY 30 Ca -0.09 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1wf0 n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wf0 s ASP 31 N 1.64 3.60 -0.77 1.61 1.11 -1.26 -4.64 116.67 117.95 1wf0 s ASP 31 Ca 0.00 -2.34 -0.26 0.00 0.18 0.00 0.00 52.55 50.13 1wf0 s ASP 31 Cb 0.00 -0.88 0.02 0.00 1.07 0.00 0.00 42.92 43.13 1wf0 s ASP 31 CO 0.00 -0.30 1.48 0.54 1.18 0.00 0.00 175.17 178.07 1wf0 s VAL 32 N 0.74 3.66 0.20 -1.27 0.11 -1.26 -0.58 120.40 122.00 1wf0 s VAL 32 Ca 0.16 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 59.10 1wf0 s VAL 32 Cb -0.23 -4.67 0.13 0.00 -1.53 0.00 0.00 36.38 30.08 1wf0 s VAL 32 CO -0.04 -1.61 1.57 0.24 -3.33 0.00 0.00 175.10 171.92 1wf0 h MET 33 N 11.12 -0.11 -2.96 1.54 2.86 -1.55 -3.45 114.93 122.37 1wf0 h MET 33 Ca -0.16 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1wf0 h MET 33 Cb 1.06 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 1wf0 h MET 33 CO 1.29 -0.08 0.24 0.34 1.06 0.00 0.00 176.91 179.76 1wf0 s ASP 34 N -5.24 -0.39 -0.11 1.22 -1.08 -1.14 -5.05 116.67 104.87 1wf0 s ASP 34 Ca -0.14 -0.32 -0.02 0.00 -0.52 0.00 0.00 52.55 51.55 1wf0 s ASP 34 Cb 0.16 0.66 0.04 0.00 -1.46 0.00 0.00 42.92 42.32 1wf0 s ASP 34 CO 0.69 -1.15 0.02 -0.69 0.52 0.00 0.00 175.17 174.55 1wf0 s VAL 35 N -3.81 0.38 0.29 1.11 1.01 -1.26 -1.45 120.40 116.67 1wf0 s VAL 35 Ca 0.07 -0.07 0.11 0.00 0.00 0.00 0.00 61.98 62.09 1wf0 s VAL 35 Cb -0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1wf0 s VAL 35 CO -0.02 0.11 -0.16 0.12 0.00 0.00 0.00 175.10 175.15 1wf0 s PHE 36 N 1.95 2.35 -0.38 5.22 5.36 -0.55 -4.84 117.98 127.10 1wf0 s PHE 36 Ca 0.03 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 1wf0 s PHE 36 Cb -0.14 -1.08 0.11 0.00 -0.34 0.00 0.00 43.02 41.57 1wf0 s PHE 36 CO -0.06 0.68 0.13 0.42 -1.46 0.00 0.00 175.22 174.94 1wf0 s ILE 37 N -2.51 1.70 0.10 3.12 1.01 -1.26 -1.99 121.20 121.37 1wf0 s ILE 37 Ca 0.31 -2.24 -0.31 0.00 0.00 0.00 0.00 60.65 58.41 1wf0 s ILE 37 Cb -0.04 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.12 1wf0 s ILE 37 CO 0.16 -0.71 1.37 -2.16 0.00 0.00 0.00 174.94 173.59 1wf0 s PRO 38 N 0.83 4.33 0.17 2.79 0.04 -1.26 -4.92 135.00 136.98 1wf0 s PRO 38 Ca 0.13 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 1wf0 s PRO 38 Cb -0.21 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1wf0 s PRO 38 CO -0.10 -0.43 0.36 0.15 0.04 0.00 0.00 177.00 177.02 1wf0 s LYS 39 N 1.19 3.51 0.30 4.56 1.02 -1.26 -3.60 119.74 125.46 1wf0 s LYS 39 Ca 0.64 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.98 1wf0 s LYS 39 Cb -0.36 -2.88 -0.10 0.00 -0.52 0.00 0.00 37.83 33.98 1wf0 s LYS 39 CO 0.30 0.44 1.23 -1.25 -0.92 0.00 0.00 175.35 175.15 1wf0 s PRO 40 N -3.16 4.46 -0.39 -1.68 0.04 -1.26 -5.11 135.00 127.91 1wf0 s PRO 40 Ca 0.38 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.19 1wf0 s PRO 40 Cb -0.11 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.32 1wf0 s PRO 40 CO 0.28 -0.05 1.04 0.12 0.04 0.00 0.00 177.00 178.43 1wf0 s PHE 41 N -1.02 3.02 -0.73 0.56 5.36 -1.24 -4.97 117.98 118.97 1wf0 s PHE 41 Ca 0.48 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 57.37 1wf0 s PHE 41 Cb -0.37 -3.90 0.18 0.00 -0.34 0.00 0.00 43.02 38.59 1wf0 s PHE 41 CO 0.47 -0.94 0.54 0.50 -1.46 0.00 0.00 175.22 174.33 1wf0 s ARG 42 N 3.83 2.63 -0.85 10.12 3.52 -1.26 -4.81 118.95 132.13 1wf0 s ARG 42 Ca 0.43 -3.21 -0.08 0.00 -0.13 0.00 0.00 55.73 52.74 1wf0 s ARG 42 Cb -0.11 -3.57 0.07 0.00 -1.56 0.00 0.00 34.95 29.79 1wf0 s ARG 42 CO 0.21 -1.26 0.25 0.00 -0.81 0.00 0.00 175.30 173.70 1wf0 n ALA 43 N 2.26 -1.04 -3.33 6.12 0.00 -1.26 -4.85 120.51 118.41 1wf0 n ALA 43 Ca 0.18 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.46 1wf0 n ALA 43 Cb 0.35 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.57 -0.42 0.17 0.00 -0.12 -1.26 -0.65 117.98 113.12 1wf0 s PHE 44 Ca 0.29 0.95 0.03 0.00 -0.05 0.00 0.00 56.93 58.14 1wf0 s PHE 44 Cb -0.16 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.35 1wf0 s PHE 44 CO 0.35 -0.31 -0.03 0.00 -0.05 0.00 0.00 175.22 175.19 1wf0 s ALA 45 N -0.29 1.41 -0.17 1.99 0.00 -1.09 -4.82 121.76 118.78 1wf0 s ALA 45 Ca -0.04 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.31 1wf0 s ALA 45 Cb -0.03 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 1wf0 s ALA 45 CO 0.02 -0.25 -0.06 0.12 0.00 0.00 0.00 175.76 175.59 1wf0 s PHE 46 N -3.55 2.95 -0.05 0.00 5.36 -0.84 -1.50 117.98 120.35 1wf0 s PHE 46 Ca 0.22 -0.56 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1wf0 s PHE 46 Cb 0.05 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1wf0 s PHE 46 CO 0.03 -0.22 -0.14 0.08 -1.46 0.00 0.00 175.22 173.51 1wf0 s VAL 47 N 0.68 1.24 -0.10 3.12 1.01 -0.92 -1.49 120.40 123.94 1wf0 s VAL 47 Ca -0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 1wf0 s VAL 47 Cb -0.15 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1wf0 s VAL 47 CO 0.02 0.37 -0.02 -0.89 0.00 0.00 0.00 175.10 174.59 1wf0 s THR 48 N 0.31 4.15 0.27 3.92 2.01 -0.53 -0.67 115.64 125.10 1wf0 s THR 48 Ca -0.08 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1wf0 s THR 48 Cb -0.13 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1wf0 s THR 48 CO 0.03 0.57 0.10 -0.36 -0.69 0.00 0.00 174.62 174.27 1wf0 s PHE 49 N -0.56 2.85 -1.95 4.92 0.08 -0.01 -1.61 117.98 121.69 1wf0 s PHE 49 Ca 0.09 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1wf0 s PHE 49 Cb -0.12 -1.35 0.06 0.00 -0.57 0.00 0.00 43.02 41.04 1wf0 s PHE 49 CO 0.02 0.53 1.03 0.00 -0.10 0.00 0.00 175.22 176.70 1wf0 n ALA 50 N -1.05 2.50 -3.59 5.36 0.00 0.25 -4.59 120.51 119.39 1wf0 n ALA 50 Ca -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 1wf0 n ALA 50 Cb 0.59 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 1wf0 n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wf0 s ASP 51 N -0.96 -0.79 0.53 0.00 1.11 -1.26 -5.02 116.67 110.28 1wf0 s ASP 51 Ca 0.05 1.17 0.21 0.00 0.18 0.00 0.00 52.55 54.16 1wf0 s ASP 51 Cb 0.03 1.64 1.37 0.00 1.07 0.00 0.00 42.92 47.03 1wf0 s ASP 51 CO 0.03 -0.17 2.09 -2.24 1.18 0.00 0.00 175.17 176.06 1wf0 h ASP 52 N 7.12 0.00 -0.06 0.27 2.03 -1.85 -0.32 116.42 123.61 1wf0 h ASP 52 Ca -0.23 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.03 1wf0 h ASP 52 Cb 1.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1wf0 h ASP 52 CO 0.14 0.00 -0.05 1.56 -1.03 0.00 0.00 179.24 179.86 1wf0 h GLN 53 N 0.00 0.27 -0.12 4.15 1.08 -1.96 0.65 115.11 119.18 1wf0 h GLN 53 Ca 0.10 -0.05 -0.20 0.00 -1.45 0.00 0.00 58.65 57.05 1wf0 h GLN 53 Cb 0.43 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1wf0 h GLN 53 CO -0.00 0.34 -0.74 0.82 -0.95 0.00 0.00 178.83 178.30 1wf0 h ILE 54 N 0.26 1.33 0.00 2.54 2.04 -1.46 -1.09 117.51 121.12 1wf0 h ILE 54 Ca 0.06 -2.04 -0.15 0.00 1.00 0.00 0.00 64.86 63.73 1wf0 h ILE 54 Cb 0.26 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1wf0 h ILE 54 CO 0.01 0.63 -0.71 0.00 0.00 0.00 0.00 178.15 178.08 1wf0 h ALA 55 N 0.76 0.66 0.04 1.87 0.00 -1.34 -3.10 119.26 118.15 1wf0 h ALA 55 Ca -0.04 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wf0 h ALA 55 Cb 1.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wf0 h ALA 55 CO 0.14 0.89 -0.02 1.96 0.00 0.00 0.00 179.25 182.22 1wf0 h GLN 56 N 0.00 -0.05 0.00 0.00 1.08 -0.86 -2.91 115.11 112.37 1wf0 h GLN 56 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wf0 h GLN 56 Cb 1.40 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1wf0 h GLN 56 CO 0.09 0.49 0.18 1.03 -0.95 0.00 0.00 178.83 179.67 1wf0 h SER 57 N -0.97 0.00 0.94 1.46 0.87 -1.32 0.42 113.55 114.96 1wf0 h SER 57 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1wf0 h SER 57 Cb 0.56 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1wf0 h SER 57 CO 0.01 0.00 -1.07 0.18 -0.53 0.00 0.00 176.83 175.42 1wf0 n LEU 58 N -2.83 0.83 -4.61 2.23 4.77 -1.17 -4.77 117.00 111.45 1wf0 n LEU 58 Ca -0.02 0.32 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 1wf0 n LEU 58 Cb 0.23 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1wf0 n LEU 58 CO 0.15 -0.15 1.58 0.00 -1.33 0.00 0.00 177.39 177.63 1wf0 n GLY 60 N 5.25 0.73 3.87 0.00 0.00 -0.55 -4.99 105.19 109.51 1wf0 n GLY 60 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.52 3.72 -0.28 1.61 0.41 -0.66 -4.97 118.70 118.01 1wf0 s GLU 61 Ca 0.00 0.12 -0.11 0.00 -0.41 0.00 0.00 54.97 54.57 1wf0 s GLU 61 Cb 0.00 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 1wf0 s GLU 61 CO 0.00 0.60 0.17 0.16 -0.49 0.00 0.00 175.26 175.70 1wf0 s ASP 62 N -1.68 5.85 0.02 -0.19 -4.77 -1.26 -3.48 116.67 111.17 1wf0 s ASP 62 Ca 0.30 -0.13 0.06 0.00 -3.30 0.00 0.00 52.55 49.48 1wf0 s ASP 62 Cb -0.14 -2.08 -0.03 0.00 -1.09 0.00 0.00 42.92 39.58 1wf0 s ASP 62 CO 0.17 -0.08 -0.14 -0.76 0.70 0.00 0.00 175.17 175.06 1wf0 s LEU 63 N 1.72 2.79 -0.20 2.11 1.43 -1.20 -5.00 118.68 120.33 1wf0 s LEU 63 Ca 0.07 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1wf0 s LEU 63 Cb -0.16 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 1wf0 s LEU 63 CO 0.09 0.27 0.01 -0.63 0.23 0.00 0.00 176.35 176.33 1wf0 s ILE 64 N -0.93 4.06 -0.18 -0.59 -1.09 -1.26 -2.06 121.20 119.14 1wf0 s ILE 64 Ca 0.15 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1wf0 s ILE 64 Cb -0.11 -2.84 0.04 0.00 -1.58 0.00 0.00 42.46 37.97 1wf0 s ILE 64 CO 0.06 0.43 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.44 1wf0 s ILE 65 N 0.95 1.68 0.00 2.92 1.01 -0.49 -4.67 121.20 122.60 1wf0 s ILE 65 Ca 0.02 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1wf0 s ILE 65 Cb -0.14 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1wf0 s ILE 65 CO 0.02 0.28 0.00 0.29 0.00 0.00 0.00 174.94 175.53 1wf0 n LYS 66 N 4.69 -1.10 0.00 2.79 5.02 -1.26 -1.77 118.16 126.53 1wf0 n LYS 66 Ca -0.16 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1wf0 n LYS 66 Cb 0.48 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.20 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 -0.59 2.08 3.86 0.72 0.00 -1.26 -5.09 105.19 104.91 1wf0 n GLY 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.05 4.04 -0.13 -0.61 -5.25 -0.73 -5.02 121.20 111.45 1wf0 s ILE 68 Ca 0.00 0.66 -0.01 0.00 -0.99 0.00 0.00 60.65 60.32 1wf0 s ILE 68 Cb 0.00 -3.59 -0.02 0.00 2.95 0.00 0.00 42.46 41.81 1wf0 s ILE 68 CO 0.00 -0.86 -0.11 -0.55 -1.79 0.00 0.00 174.94 171.62 1wf0 s SER 69 N -4.14 4.16 0.23 4.36 0.15 -1.26 -1.39 113.70 115.80 1wf0 s SER 69 Ca 0.57 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 57.02 1wf0 s SER 69 Cb -0.12 -1.59 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 1wf0 s SER 69 CO 0.53 0.18 -0.14 0.68 1.20 0.00 0.00 173.24 175.69 1wf0 s VAL 70 N 0.27 1.87 -0.16 4.45 -7.23 -0.88 -4.81 120.40 113.92 1wf0 s VAL 70 Ca -0.08 -2.24 0.02 0.00 -1.81 0.00 0.00 61.98 57.87 1wf0 s VAL 70 Cb -0.15 -2.16 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1wf0 s VAL 70 CO 0.05 -0.51 -0.21 -2.28 -0.31 0.00 0.00 175.10 171.84 1wf0 s HIS 71 N -2.89 2.68 -0.11 2.82 5.65 -1.26 -3.25 115.29 118.93 1wf0 s HIS 71 Ca 0.25 -1.46 -0.21 0.00 0.25 0.00 0.00 55.06 53.89 1wf0 s HIS 71 Cb -0.01 -1.84 -0.04 0.00 -1.18 0.00 0.00 32.58 29.52 1wf0 s HIS 71 CO 0.09 -0.69 0.62 0.42 -0.65 0.00 0.00 174.74 174.53 1wf0 s ILE 72 N 1.03 5.08 -0.02 0.89 -1.09 -1.23 -3.63 121.20 122.24 1wf0 s ILE 72 Ca -0.02 1.26 -0.09 0.00 -2.23 0.00 0.00 60.65 59.57 1wf0 s ILE 72 Cb -0.14 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 36.79 1wf0 s ILE 72 CO -0.07 0.24 0.19 -0.55 -1.23 0.00 0.00 174.94 173.53 1wf0 s SER 73 N 0.82 -0.08 -0.39 3.58 0.15 -1.13 -1.48 113.70 115.17 1wf0 s SER 73 Ca 0.32 0.02 -0.14 0.00 0.70 0.00 0.00 55.95 56.86 1wf0 s SER 73 Cb -0.17 0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1wf0 s SER 73 CO 0.14 -0.30 0.28 0.54 1.20 0.00 0.00 173.24 175.10 1wf0 s ASN 74 N -0.96 6.09 0.01 5.45 4.22 -1.26 -0.55 114.94 127.95 1wf0 s ASN 74 Ca -0.10 -0.72 0.02 0.00 -2.14 0.00 0.00 52.86 49.91 1wf0 s ASN 74 Cb -0.05 -2.15 -0.01 0.00 1.28 0.00 0.00 41.25 40.31 1wf0 s ASN 74 CO 0.02 -0.38 -0.07 0.00 -2.04 0.00 0.00 177.10 174.63 1wf0 s ALA 75 N 1.70 0.57 -0.36 3.54 0.00 -1.26 -4.99 121.76 120.96 1wf0 s ALA 75 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.58 1wf0 s ALA 75 Cb -0.18 -0.09 0.13 0.00 0.00 0.00 0.00 23.12 22.98 1wf0 s ALA 75 CO 0.10 0.09 0.20 -1.21 0.00 0.00 0.00 175.76 174.94 1wf0 s GLU 76 N -0.60 0.70 0.65 0.00 0.41 -1.26 -4.81 118.70 113.79 1wf0 s GLU 76 Ca -0.01 -1.38 -0.15 0.00 -0.41 0.00 0.00 54.97 53.02 1wf0 s GLU 76 Cb -0.05 -1.60 -0.00 0.00 -1.78 0.00 0.00 34.13 30.70 1wf0 s GLU 76 CO 0.00 -1.16 1.11 -1.25 -0.49 0.00 0.00 175.26 173.48 1wf0 s PRO 77 N 1.07 2.84 0.23 0.39 0.04 -1.26 -4.99 135.00 133.31 1wf0 s PRO 77 Ca 0.16 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 1wf0 s PRO 77 Cb -0.22 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 1wf0 s PRO 77 CO -0.06 -1.22 1.16 0.15 0.04 0.00 0.00 177.00 177.07 1wf0 s LYS 78 N -4.04 4.55 -0.31 4.56 1.02 -1.26 -5.02 119.74 119.24 1wf0 s LYS 78 Ca 0.67 1.85 0.02 0.00 0.02 0.00 0.00 55.97 58.53 1wf0 s LYS 78 Cb -0.21 -3.21 0.09 0.00 -0.52 0.00 0.00 37.83 33.98 1wf0 s LYS 78 CO 0.40 0.04 0.04 -1.58 -0.92 0.00 0.00 175.35 173.33 1wf0 s HIS 79 N -0.56 2.80 -0.52 3.18 2.46 -1.26 -5.04 115.29 116.35 1wf0 s HIS 79 Ca 0.49 -2.32 0.03 0.00 0.47 0.00 0.00 55.06 53.74 1wf0 s HIS 79 Cb -0.32 -2.22 0.15 0.00 -0.13 0.00 0.00 32.58 30.05 1wf0 s HIS 79 CO 0.39 -0.89 0.34 1.21 -2.47 0.00 0.00 174.74 173.32 1wf0 s ASN 80 N 1.24 3.54 -0.33 9.88 2.47 -1.26 -4.98 114.94 125.50 1wf0 s ASN 80 Ca 0.06 -3.12 -0.06 0.00 0.42 0.00 0.00 52.86 50.16 1wf0 s ASN 80 Cb -0.18 -1.12 0.19 0.00 -1.45 0.00 0.00 41.25 38.69 1wf0 s ASN 80 CO -0.13 -0.19 0.96 -0.94 -3.72 0.00 0.00 177.10 173.08 1wf0 s SER 81 N -0.30 -0.59 -0.37 -4.21 1.04 -1.26 -5.05 113.70 102.96 1wf0 s SER 81 Ca 0.23 -0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.32 1wf0 s SER 81 Cb -0.12 0.89 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1wf0 s SER 81 CO -0.09 -0.07 0.40 -3.20 0.98 0.00 0.00 173.24 171.25 1wf0 n ASN 82 N 4.14 -7.62 -4.12 7.02 2.85 -1.26 -4.96 115.26 111.31 1wf0 n ASN 82 Ca 0.07 0.71 -0.37 0.00 -0.11 0.00 0.00 54.58 54.88 1wf0 n ASN 82 Cb 0.61 -4.72 -0.09 0.00 1.24 0.00 0.00 39.78 36.82 1wf0 n ASN 82 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1wf0 s SER 83 N -2.10 5.34 0.00 1.20 0.15 -1.26 -5.03 113.70 112.01 1wf0 s SER 83 Ca 0.18 -2.68 0.00 0.00 0.70 0.00 0.00 55.95 54.15 1wf0 s SER 83 Cb -0.04 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1wf0 s SER 83 CO 0.74 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 175.37 1wf0 n GLY 84 N 3.74 2.75 3.63 9.45 0.00 -1.26 -5.17 105.19 118.33 1wf0 n GLY 84 Ca 0.06 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1wf0 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf0 s PRO 85 N -0.24 -0.42 0.49 1.61 0.04 -1.26 -5.08 135.00 130.15 1wf0 s PRO 85 Ca 0.00 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.34 1wf0 s PRO 85 Cb 0.00 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.89 1wf0 s PRO 85 CO 0.00 -3.24 0.43 -1.12 0.04 0.00 0.00 177.00 173.11 1wf0 s SER 86 N -3.64 4.82 -0.13 6.66 0.01 -1.26 -5.07 113.70 115.10 1wf0 s SER 86 Ca 0.68 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.71 1wf0 s SER 86 Cb -0.15 -0.01 -0.26 0.00 0.21 0.00 0.00 66.02 65.82 1wf0 s SER 86 CO 0.57 -0.93 0.59 -1.28 0.41 0.00 0.00 173.24 172.60 1wf0 h SER 87 N 0.83 0.20 0.00 2.44 0.87 -2.08 -3.57 113.55 112.23 1wf0 h SER 87 Ca -0.38 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.35 1wf0 h SER 87 Cb 1.28 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1wf0 h SER 87 CO 0.56 1.38 0.00 0.61 -0.53 0.00 0.00 176.83 178.85