#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 6.48 -0.13 1.61 0.15 -1.26 -5.08 113.70 115.46 1wf0 s SER 2 Ca 0.00 0.56 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 1wf0 s SER 2 Cb 0.00 -2.16 0.03 0.00 -1.71 0.00 0.00 66.02 62.19 1wf0 s SER 2 CO 0.00 0.24 0.34 -0.55 1.20 0.00 0.00 173.24 174.47 1wf0 s SER 3 N -0.25 -0.36 0.00 5.45 0.15 -1.26 -5.16 113.70 112.27 1wf0 s SER 3 Ca 0.17 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1wf0 s SER 3 Cb -0.13 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wf0 s SER 3 CO 0.05 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1wf0 n GLY 4 N 3.00 2.42 3.60 9.45 0.00 -1.26 -5.19 105.19 117.21 1wf0 n GLY 4 Ca -0.14 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -0.23 -0.59 1.61 0.01 -1.26 -5.05 113.70 108.20 1wf0 s SER 5 Ca 0.00 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 1wf0 s SER 5 Cb 0.00 0.61 0.34 0.00 0.21 0.00 0.00 66.02 67.18 1wf0 s SER 5 CO 0.00 -1.13 2.10 -1.54 0.41 0.00 0.00 173.24 173.08 1wf0 n SER 6 N -0.37 7.26 -3.93 2.44 3.41 -1.26 -4.89 113.62 116.28 1wf0 n SER 6 Ca -0.07 -3.56 -0.17 0.00 -0.26 0.00 0.00 58.87 54.81 1wf0 n SER 6 Cb 0.62 -1.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.38 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf0 s GLY 7 N -1.01 0.31 0.08 5.00 0.00 -1.26 -2.11 107.32 108.32 1wf0 s GLY 7 Ca 0.54 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.15 1wf0 s GLY 7 CO -0.09 0.06 -0.09 -1.34 0.00 0.00 0.00 173.10 171.64 1wf0 s VAL 8 N 0.27 0.80 -0.30 1.40 -7.23 -1.15 -4.40 120.40 109.79 1wf0 s VAL 8 Ca -0.03 -1.48 -0.13 0.00 -1.81 0.00 0.00 61.98 58.53 1wf0 s VAL 8 Cb -0.07 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1wf0 s VAL 8 CO -0.00 -0.52 0.27 -0.36 -0.31 0.00 0.00 175.10 174.17 1wf0 s PHE 9 N -2.18 3.22 -1.15 2.82 0.08 0.91 -2.86 117.98 118.82 1wf0 s PHE 9 Ca 0.01 0.06 -0.12 0.00 0.12 0.00 0.00 56.93 57.00 1wf0 s PHE 9 Cb -0.04 -2.49 0.21 0.00 -0.57 0.00 0.00 43.02 40.13 1wf0 s PHE 9 CO -0.00 -0.27 1.28 0.08 -0.10 0.00 0.00 175.22 176.21 1wf0 s VAL 10 N 1.85 5.42 0.00 -0.44 1.01 -0.54 -3.21 120.40 124.49 1wf0 s VAL 10 Ca 0.09 -2.90 0.00 0.00 0.00 0.00 0.00 61.98 59.17 1wf0 s VAL 10 Cb -0.16 -4.78 0.00 0.00 0.00 0.00 0.00 36.38 31.44 1wf0 s VAL 10 CO 0.11 -1.43 0.00 0.61 0.00 0.00 0.00 175.10 174.38 1wf0 n GLY 11 N 3.60 -2.68 4.17 4.51 0.00 -1.23 -3.14 105.19 110.43 1wf0 n GLY 11 Ca 0.31 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.26 -2.95 -4.00 1.61 1.74 0.13 -4.15 116.66 107.78 1wf0 n ARG 12 Ca 0.00 0.35 -0.27 0.00 -0.77 0.00 0.00 57.85 57.16 1wf0 n ARG 12 Cb 0.00 -4.82 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 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 -2.63 1.00 0.26 0.00 -4.23 -1.26 -4.42 115.64 104.35 1wf0 s THR 14 Ca 0.18 -1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.61 1wf0 s THR 14 Cb -0.01 -0.94 0.24 0.00 1.34 0.00 0.00 72.50 73.13 1wf0 s THR 14 CO 0.12 -0.10 1.85 1.23 -0.54 0.00 0.00 174.62 177.18 1wf0 h GLY 15 N 4.76 1.42 -0.86 3.99 0.00 -1.98 -2.80 103.07 107.59 1wf0 h GLY 15 Ca -0.38 -0.41 0.11 0.00 0.00 0.00 0.00 47.33 46.65 1wf0 h GLY 15 CO 0.43 0.25 -0.48 -1.80 0.00 0.00 0.00 176.54 174.94 1wf0 h ASP 16 N 1.01 -1.72 -1.91 0.19 1.82 -2.04 -3.41 116.42 110.36 1wf0 h ASP 16 Ca 0.42 0.30 -0.56 0.00 -0.39 0.00 0.00 57.03 56.80 1wf0 h ASP 16 Cb 0.25 0.81 0.19 0.00 0.68 0.00 0.00 39.33 41.25 1wf0 h ASP 16 CO -0.20 -0.28 -1.26 0.23 -1.61 0.00 0.00 179.24 176.12 1wf0 n MET 17 N -5.38 0.00 -4.25 0.28 2.81 -1.06 -4.98 117.12 104.54 1wf0 n MET 17 Ca 0.05 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.74 1wf0 n MET 17 Cb 0.34 -0.95 -0.12 0.00 -0.71 0.00 0.00 33.22 31.77 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 -1.91 1.18 0.41 2.03 -4.23 -1.26 -5.02 115.64 106.85 1wf0 s THR 18 Ca 0.50 -1.23 0.27 0.00 -1.18 0.00 0.00 61.69 60.05 1wf0 s THR 18 Cb -0.40 -1.11 0.44 0.00 1.34 0.00 0.00 72.50 72.77 1wf0 s THR 18 CO 0.67 -0.13 1.60 -0.33 -0.54 0.00 0.00 174.62 175.89 1wf0 h GLU 19 N 4.48 0.05 0.61 3.99 3.07 -1.94 0.23 114.58 125.07 1wf0 h GLU 19 Ca -0.41 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.42 1wf0 h GLU 19 Cb 1.19 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 29.09 1wf0 h GLU 19 CO 0.41 0.03 -0.29 -0.44 -1.40 0.00 0.00 179.01 177.33 1wf0 h ASP 20 N 0.05 -0.69 -0.45 1.42 3.32 -1.95 0.26 116.42 118.38 1wf0 h ASP 20 Ca 0.84 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.92 1wf0 h ASP 20 Cb 2.48 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 42.13 1wf0 h ASP 20 CO -0.56 -0.38 -0.54 -0.33 -1.72 0.00 0.00 179.24 175.71 1wf0 h GLU 21 N -0.99 -0.33 -0.11 3.56 4.39 -0.95 0.23 114.58 120.39 1wf0 h GLU 21 Ca -0.08 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1wf0 h GLU 21 Cb 0.67 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1wf0 h GLU 21 CO 0.14 -0.22 0.06 -0.07 -1.16 0.00 0.00 179.01 177.76 1wf0 h LEU 22 N -0.34 0.13 -1.80 1.33 3.38 -1.51 -0.84 115.31 115.66 1wf0 h LEU 22 Ca 0.08 -0.05 0.25 0.00 0.09 0.00 0.00 57.88 58.25 1wf0 h LEU 22 Cb 0.55 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1wf0 h LEU 22 CO -0.61 0.14 0.65 -0.09 0.09 0.00 0.00 178.44 178.63 1wf0 h ARG 23 N 0.11 0.14 0.00 1.13 2.43 0.41 0.65 114.38 119.26 1wf0 h ARG 23 Ca 0.04 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 1wf0 h ARG 23 Cb 0.04 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1wf0 h ARG 23 CO -0.01 0.09 -0.90 1.49 -1.51 0.00 0.00 179.97 179.14 1wf0 h GLU 24 N 0.15 0.00 0.00 0.20 4.22 0.08 -3.03 114.58 116.19 1wf0 h GLU 24 Ca 0.47 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 59.71 1wf0 h GLU 24 Cb 1.59 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 1wf0 h GLU 24 CO -0.08 0.24 -1.08 0.35 -2.18 0.00 0.00 179.01 176.26 1wf0 h PHE 25 N 0.00 0.00 -0.01 0.92 3.04 0.15 -3.26 116.94 117.77 1wf0 h PHE 25 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1wf0 h PHE 25 Cb 1.32 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.83 1wf0 h PHE 25 CO 0.00 0.84 -0.20 1.19 -2.02 0.00 0.00 178.31 178.11 1wf0 n PHE 26 N -3.21 0.00 0.12 0.41 3.72 0.13 -3.91 117.46 114.73 1wf0 n PHE 26 Ca -0.04 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.37 1wf0 n PHE 26 Cb 0.90 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 1wf0 n PHE 26 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wf0 h SER 27 N 1.99 0.00 0.79 4.37 4.64 -1.57 -3.00 113.55 120.77 1wf0 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wf0 h SER 27 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1wf0 h SER 27 CO 0.00 0.56 0.00 0.00 -0.87 0.00 0.00 176.83 176.52 1wf0 n GLN 28 N -3.21 0.02 -0.10 4.77 10.64 -1.25 -3.22 117.38 125.03 1wf0 n GLN 28 Ca 0.01 0.09 -0.11 0.00 -1.83 0.00 0.00 57.00 55.16 1wf0 n GLN 28 Cb 0.76 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.51 1wf0 n GLN 28 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1wf0 n TYR 29 N -1.48 0.00 -3.79 2.61 4.02 -1.19 -5.08 117.16 112.24 1wf0 n TYR 29 Ca 0.06 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.97 1wf0 n TYR 29 Cb 0.27 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 1wf0 n TYR 29 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1wf0 s GLY 30 N -5.58 -0.26 -1.16 2.72 0.00 -1.14 -5.05 107.32 96.85 1wf0 s GLY 30 Ca -0.16 0.36 -0.22 0.00 0.00 0.00 0.00 44.72 44.70 1wf0 s GLY 30 CO 0.70 2.65 1.92 1.22 0.00 0.00 0.00 173.10 179.59 1wf0 n ASP 31 N -0.78 3.17 -4.60 1.64 9.92 -1.26 -4.17 116.55 120.46 1wf0 n ASP 31 Ca -0.03 -2.71 -0.43 0.00 -0.53 0.00 0.00 54.79 51.09 1wf0 n ASP 31 Cb 0.61 -1.68 -0.03 0.00 -0.64 0.00 0.00 41.12 39.38 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wf0 s VAL 32 N 9.89 3.33 0.08 2.53 0.11 -1.26 -1.34 120.40 133.74 1wf0 s VAL 32 Ca 0.66 0.34 -0.31 0.00 -2.93 0.00 0.00 61.98 59.74 1wf0 s VAL 32 Cb 0.01 -3.42 -0.14 0.00 -1.53 0.00 0.00 36.38 31.31 1wf0 s VAL 32 CO 0.13 -0.25 1.48 0.24 -3.33 0.00 0.00 175.10 173.37 1wf0 h MET 33 N 13.31 -0.76 -2.55 1.54 2.86 -1.26 -3.45 114.93 124.62 1wf0 h MET 33 Ca -0.37 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1wf0 h MET 33 Cb 1.19 0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.93 1wf0 h MET 33 CO 1.00 -0.51 0.40 0.34 1.06 0.00 0.00 176.91 179.20 1wf0 s ASP 34 N -4.20 -0.28 -0.15 1.22 2.15 -0.87 -5.00 116.67 109.54 1wf0 s ASP 34 Ca -0.15 -0.32 -0.02 0.00 0.43 0.00 0.00 52.55 52.49 1wf0 s ASP 34 Cb 0.04 0.53 0.05 0.00 -0.30 0.00 0.00 42.92 43.24 1wf0 s ASP 34 CO 0.52 -0.95 0.00 -0.69 -0.17 0.00 0.00 175.17 173.89 1wf0 s VAL 35 N -3.44 0.63 0.23 1.11 1.01 -1.26 -0.40 120.40 118.27 1wf0 s VAL 35 Ca 0.09 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1wf0 s VAL 35 Cb -0.02 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1wf0 s VAL 35 CO -0.01 0.02 0.05 0.12 0.00 0.00 0.00 175.10 175.28 1wf0 s PHE 36 N 1.84 2.85 -0.37 5.22 5.36 0.01 -4.79 117.98 128.09 1wf0 s PHE 36 Ca 0.01 -0.16 0.02 0.00 -0.96 0.00 0.00 56.93 55.84 1wf0 s PHE 36 Cb -0.15 -1.31 0.11 0.00 -0.34 0.00 0.00 43.02 41.33 1wf0 s PHE 36 CO -0.07 0.56 0.14 0.42 -1.46 0.00 0.00 175.22 174.81 1wf0 s ILE 37 N -2.07 1.55 0.45 3.12 1.01 -1.26 -0.69 121.20 123.31 1wf0 s ILE 37 Ca 0.30 -2.15 -0.23 0.00 0.00 0.00 0.00 60.65 58.57 1wf0 s ILE 37 Cb -0.08 -2.13 -0.08 0.00 0.01 0.00 0.00 42.46 40.18 1wf0 s ILE 37 CO 0.21 -0.73 1.17 -2.16 0.00 0.00 0.00 174.94 173.43 1wf0 s PRO 38 N 0.90 3.81 0.16 2.79 0.04 -1.26 -4.91 135.00 136.53 1wf0 s PRO 38 Ca 0.13 1.80 0.07 0.00 0.04 0.00 0.00 61.00 63.05 1wf0 s PRO 38 Cb -0.21 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1wf0 s PRO 38 CO -0.11 -0.51 -0.04 0.15 0.04 0.00 0.00 177.00 176.53 1wf0 s LYS 39 N -2.61 2.30 0.11 4.56 -0.14 -1.26 -3.03 119.74 119.67 1wf0 s LYS 39 Ca 0.62 -1.11 -0.31 0.00 -1.36 0.00 0.00 55.97 53.81 1wf0 s LYS 39 Cb -0.29 -2.32 -0.08 0.00 -1.68 0.00 0.00 37.83 33.46 1wf0 s LYS 39 CO 0.36 0.46 1.36 -1.25 -0.76 0.00 0.00 175.35 175.52 1wf0 s PRO 40 N -2.77 4.34 -0.32 -1.68 0.04 -1.26 -5.09 135.00 128.25 1wf0 s PRO 40 Ca 0.26 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 1wf0 s PRO 40 Cb -0.10 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wf0 s PRO 40 CO 0.17 -0.40 1.56 0.12 0.04 0.00 0.00 177.00 178.49 1wf0 s PHE 41 N 1.05 2.19 -0.85 0.56 2.19 -1.17 -4.95 117.98 117.01 1wf0 s PHE 41 Ca 0.63 0.65 -0.02 0.00 0.33 0.00 0.00 56.93 58.52 1wf0 s PHE 41 Cb -0.36 -4.13 0.21 0.00 -1.31 0.00 0.00 43.02 37.44 1wf0 s PHE 41 CO 0.30 -2.48 0.72 0.50 1.83 0.00 0.00 175.22 176.10 1wf0 s ARG 42 N 4.97 3.16 -1.43 10.12 3.52 -1.26 -4.78 118.95 133.25 1wf0 s ARG 42 Ca 0.69 -3.15 -0.17 0.00 -0.13 0.00 0.00 55.73 52.96 1wf0 s ARG 42 Cb -0.19 -3.92 0.16 0.00 -1.56 0.00 0.00 34.95 29.44 1wf0 s ARG 42 CO 0.31 -1.25 0.50 0.00 -0.81 0.00 0.00 175.30 174.04 1wf0 n ALA 43 N 2.53 -1.16 -3.26 6.12 0.00 -1.26 -4.81 120.51 118.67 1wf0 n ALA 43 Ca 0.19 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1wf0 n ALA 43 Cb 0.37 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 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 -2.97 -0.38 0.16 0.00 -0.12 -1.26 -0.69 117.98 112.72 1wf0 s PHE 44 Ca 0.61 0.40 -0.07 0.00 -0.05 0.00 0.00 56.93 57.83 1wf0 s PHE 44 Cb -0.35 0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.33 1wf0 s PHE 44 CO 0.75 -0.62 0.23 0.00 -0.05 0.00 0.00 175.22 175.53 1wf0 s ALA 45 N -2.43 0.26 -0.12 1.99 0.00 -1.19 -4.80 121.76 115.47 1wf0 s ALA 45 Ca -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1wf0 s ALA 45 Cb -0.01 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 1wf0 s ALA 45 CO -0.02 -0.62 0.01 0.12 0.00 0.00 0.00 175.76 175.25 1wf0 s PHE 46 N -4.00 3.15 -0.06 0.00 5.36 0.13 -1.47 117.98 121.10 1wf0 s PHE 46 Ca 0.20 0.07 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 1wf0 s PHE 46 Cb 0.04 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 1wf0 s PHE 46 CO 0.01 0.31 -0.06 0.08 -1.46 0.00 0.00 175.22 174.11 1wf0 s VAL 47 N -0.42 0.69 -0.16 3.12 1.01 -1.13 -0.81 120.40 122.70 1wf0 s VAL 47 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1wf0 s VAL 47 Cb -0.12 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1wf0 s VAL 47 CO 0.02 0.28 0.00 -0.89 0.00 0.00 0.00 175.10 174.51 1wf0 s THR 48 N 1.17 4.24 -0.03 3.92 2.01 0.47 -2.91 115.64 124.51 1wf0 s THR 48 Ca -0.07 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1wf0 s THR 48 Cb -0.14 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1wf0 s THR 48 CO -0.01 0.49 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.00 1wf0 s PHE 49 N 0.25 2.96 0.66 4.92 0.08 -0.90 -0.84 117.98 125.11 1wf0 s PHE 49 Ca -0.00 0.03 0.40 0.00 0.12 0.00 0.00 56.93 57.47 1wf0 s PHE 49 Cb -0.13 -1.67 2.20 0.00 -0.57 0.00 0.00 43.02 42.85 1wf0 s PHE 49 CO 0.02 0.38 2.27 0.00 -0.10 0.00 0.00 175.22 177.79 1wf0 h ALA 50 N 4.82 1.16 -4.12 5.36 0.00 -1.53 -3.41 119.26 121.54 1wf0 h ALA 50 Ca -0.49 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 53.92 1wf0 h ALA 50 Cb 1.17 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.69 1wf0 h ALA 50 CO 0.54 -0.07 -0.82 0.34 0.00 0.00 0.00 179.25 179.24 1wf0 s ASP 51 N -5.17 1.85 0.24 0.00 -1.08 -1.26 -5.03 116.67 106.22 1wf0 s ASP 51 Ca -0.05 -0.35 0.10 0.00 -0.52 0.00 0.00 52.55 51.74 1wf0 s ASP 51 Cb 0.13 -0.18 0.25 0.00 -1.46 0.00 0.00 42.92 41.65 1wf0 s ASP 51 CO 0.41 0.15 1.55 -2.24 0.52 0.00 0.00 175.17 175.56 1wf0 h ASP 52 N 5.47 0.00 0.38 -0.34 2.03 -1.93 -2.98 116.42 119.06 1wf0 h ASP 52 Ca -0.37 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.92 1wf0 h ASP 52 Cb 1.16 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1wf0 h ASP 52 CO 0.47 0.69 -0.04 1.56 -1.03 0.00 0.00 179.24 180.89 1wf0 h GLN 53 N 0.00 0.00 0.20 4.15 4.20 -1.96 0.65 115.11 122.34 1wf0 h GLN 53 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 1wf0 h GLN 53 Cb 1.23 0.00 0.03 0.00 0.30 0.00 0.00 27.48 29.04 1wf0 h GLN 53 CO 0.09 0.04 -1.14 0.82 -0.67 0.00 0.00 178.83 177.97 1wf0 h ILE 54 N 0.00 1.40 -0.00 2.54 1.08 -1.93 -2.54 117.51 118.06 1wf0 h ILE 54 Ca -0.00 -2.61 -0.18 0.00 -0.39 0.00 0.00 64.86 61.68 1wf0 h ILE 54 Cb 0.25 3.13 -0.02 0.00 -3.07 0.00 0.00 36.82 37.10 1wf0 h ILE 54 CO 0.01 0.76 -0.82 0.00 -0.69 0.00 0.00 178.15 177.41 1wf0 h ALA 55 N 0.11 0.63 -0.08 1.87 0.00 -1.50 -2.54 119.26 117.75 1wf0 h ALA 55 Ca -0.20 -0.72 -0.08 0.00 0.00 0.00 0.00 54.91 53.90 1wf0 h ALA 55 Cb 1.90 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wf0 h ALA 55 CO 0.21 0.96 -0.28 1.96 0.00 0.00 0.00 179.25 182.10 1wf0 h GLN 56 N 0.04 0.33 -0.37 0.00 4.20 -0.99 -2.42 115.11 115.89 1wf0 h GLN 56 Ca -0.02 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1wf0 h GLN 56 Cb 1.44 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.25 1wf0 h GLN 56 CO 0.11 0.88 -0.08 1.03 -0.67 0.00 0.00 178.83 180.10 1wf0 h SER 57 N -0.16 0.61 1.03 1.46 0.87 -1.52 -2.30 113.55 113.55 1wf0 h SER 57 Ca -0.01 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.35 1wf0 h SER 57 Cb 0.92 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1wf0 h SER 57 CO 0.06 0.73 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.82 1wf0 h LEU 58 N 0.58 0.00 -8.93 2.23 3.38 -1.48 -3.43 115.31 107.67 1wf0 h LEU 58 Ca 0.11 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.50 1wf0 h LEU 58 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1wf0 h LEU 58 CO 0.03 0.20 1.36 0.00 0.09 0.00 0.00 178.44 180.12 1wf0 n GLY 60 N 5.52 0.76 3.86 0.00 0.00 -0.39 -4.98 105.19 109.97 1wf0 n GLY 60 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.62 3.35 -0.42 1.61 2.02 -0.52 -4.95 118.70 119.17 1wf0 s GLU 61 Ca 0.00 -0.28 -0.15 0.00 0.02 0.00 0.00 54.97 54.55 1wf0 s GLU 61 Cb 0.00 -3.08 0.03 0.00 0.10 0.00 0.00 34.13 31.18 1wf0 s GLU 61 CO 0.00 0.71 0.33 0.16 0.02 0.00 0.00 175.26 176.48 1wf0 s ASP 62 N -1.53 6.13 -0.02 -0.19 -4.77 -1.26 -3.40 116.67 111.63 1wf0 s ASP 62 Ca 0.21 -0.92 0.00 0.00 -3.30 0.00 0.00 52.55 48.55 1wf0 s ASP 62 Cb -0.12 -2.17 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 1wf0 s ASP 62 CO 0.12 -0.49 0.03 -0.76 0.70 0.00 0.00 175.17 174.76 1wf0 s LEU 63 N 1.75 3.65 -0.24 2.11 1.43 -1.16 -4.97 118.68 121.25 1wf0 s LEU 63 Ca 0.06 0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1wf0 s LEU 63 Cb -0.19 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 1wf0 s LEU 63 CO 0.10 0.30 0.09 -0.63 0.23 0.00 0.00 176.35 176.44 1wf0 s ILE 64 N -1.08 4.59 -0.17 -0.59 -1.09 -1.26 -1.73 121.20 119.87 1wf0 s ILE 64 Ca 0.19 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1wf0 s ILE 64 Cb -0.12 -3.14 0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1wf0 s ILE 64 CO 0.10 0.35 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.39 1wf0 s ILE 65 N 1.36 1.66 -1.72 2.92 1.01 -0.17 -4.68 121.20 121.57 1wf0 s ILE 65 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1wf0 s ILE 65 Cb -0.15 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1wf0 s ILE 65 CO 0.04 0.35 0.00 0.29 0.00 0.00 0.00 174.94 175.62 1wf0 n LYS 66 N 4.72 -1.17 0.00 2.79 5.02 -1.26 -1.63 118.16 126.63 1wf0 n LYS 66 Ca -0.16 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1wf0 n LYS 66 Cb 0.49 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 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 -0.95 3.37 3.89 0.72 0.00 -1.26 -5.05 105.19 105.90 1wf0 n GLY 67 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.85 3.86 -0.12 -0.61 -5.25 -0.64 -5.04 121.20 110.54 1wf0 s ILE 68 Ca 0.00 0.41 -0.01 0.00 -0.99 0.00 0.00 60.65 60.06 1wf0 s ILE 68 Cb 0.00 -3.57 -0.02 0.00 2.95 0.00 0.00 42.46 41.82 1wf0 s ILE 68 CO 0.00 -0.70 -0.09 -0.55 -1.79 0.00 0.00 174.94 171.81 1wf0 s SER 69 N -4.29 4.40 0.13 4.36 0.15 -1.26 -1.00 113.70 116.18 1wf0 s SER 69 Ca 0.56 -0.19 0.08 0.00 0.70 0.00 0.00 55.95 57.10 1wf0 s SER 69 Cb -0.11 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.65 1wf0 s SER 69 CO 0.50 0.22 -0.20 0.68 1.20 0.00 0.00 173.24 175.64 1wf0 s VAL 70 N 0.03 1.76 -0.18 4.45 -7.23 -0.70 -4.79 120.40 113.74 1wf0 s VAL 70 Ca -0.02 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1wf0 s VAL 70 Cb -0.14 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.12 1wf0 s VAL 70 CO 0.03 -0.16 -0.13 -2.28 -0.31 0.00 0.00 175.10 172.25 1wf0 s HIS 71 N -1.52 2.84 -0.08 2.82 2.46 -1.26 -2.99 115.29 117.56 1wf0 s HIS 71 Ca 0.10 -1.17 -0.23 0.00 0.47 0.00 0.00 55.06 54.23 1wf0 s HIS 71 Cb -0.08 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1wf0 s HIS 71 CO 0.05 -0.59 0.70 0.42 -2.47 0.00 0.00 174.74 172.85 1wf0 s ILE 72 N 1.17 5.04 0.03 0.89 -1.09 -1.22 -3.52 121.20 122.50 1wf0 s ILE 72 Ca 0.02 1.42 -0.08 0.00 -2.23 0.00 0.00 60.65 59.77 1wf0 s ILE 72 Cb -0.14 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1wf0 s ILE 72 CO -0.05 0.23 0.17 -0.94 -1.23 0.00 0.00 174.94 173.12 1wf0 s SER 73 N 0.84 0.06 -0.34 3.58 1.04 -1.20 -1.26 113.70 116.42 1wf0 s SER 73 Ca 0.37 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 1wf0 s SER 73 Cb -0.17 0.26 0.05 0.00 0.10 0.00 0.00 66.02 66.25 1wf0 s SER 73 CO 0.17 -0.51 0.10 0.21 0.98 0.00 0.00 173.24 174.19 1wf0 s ASN 74 N -1.94 5.24 0.06 7.02 2.47 -1.26 -0.06 114.94 126.47 1wf0 s ASN 74 Ca -0.07 -1.23 0.03 0.00 0.42 0.00 0.00 52.86 52.01 1wf0 s ASN 74 Cb -0.02 -1.84 -0.03 0.00 -1.45 0.00 0.00 41.25 37.91 1wf0 s ASN 74 CO -0.03 -0.33 -0.09 0.00 -3.72 0.00 0.00 177.10 172.93 1wf0 s ALA 75 N 1.36 0.78 -0.34 1.71 0.00 -1.26 -5.01 121.76 119.01 1wf0 s ALA 75 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1wf0 s ALA 75 Cb -0.20 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.08 1wf0 s ALA 75 CO 0.02 -0.00 0.19 -1.21 0.00 0.00 0.00 175.76 174.76 1wf0 s GLU 76 N -1.93 0.49 0.01 0.00 0.41 -1.26 -4.86 118.70 111.57 1wf0 s GLU 76 Ca -0.05 -1.18 -0.30 0.00 -0.41 0.00 0.00 54.97 53.03 1wf0 s GLU 76 Cb -0.08 -1.30 -0.06 0.00 -1.78 0.00 0.00 34.13 30.92 1wf0 s GLU 76 CO 0.00 -1.17 1.44 -1.25 -0.49 0.00 0.00 175.26 173.79 1wf0 s PRO 77 N 1.27 4.27 -0.32 0.39 0.04 -1.26 -4.92 135.00 134.47 1wf0 s PRO 77 Ca 0.16 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.95 1wf0 s PRO 77 Cb -0.22 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 1wf0 s PRO 77 CO -0.07 -0.60 2.24 0.21 0.04 0.00 0.00 177.00 178.82 1wf0 s LYS 78 N 2.45 2.82 1.00 4.56 2.47 -1.26 -4.94 119.74 126.84 1wf0 s LYS 78 Ca 0.65 1.76 -0.11 0.00 -1.56 0.00 0.00 55.97 56.72 1wf0 s LYS 78 Cb -0.33 -4.43 0.19 0.00 -1.46 0.00 0.00 37.83 31.81 1wf0 s LYS 78 CO 0.27 -2.46 1.07 -2.39 0.16 0.00 0.00 175.35 172.00 1wf0 n HIS 79 N 12.91 0.13 -4.09 4.03 1.44 -1.26 -5.03 115.22 123.35 1wf0 n HIS 79 Ca 0.31 0.23 -0.26 0.00 -2.01 0.00 0.00 57.72 55.99 1wf0 n HIS 79 Cb 0.48 -1.90 -0.05 0.00 0.12 0.00 0.00 29.99 28.64 1wf0 n HIS 79 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1wf0 s ASN 80 N -2.54 5.50 -0.15 4.39 2.20 -1.26 -5.11 114.94 117.96 1wf0 s ASN 80 Ca 0.67 -0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.44 1wf0 s ASN 80 Cb -0.24 -1.42 0.03 0.00 -2.00 0.00 0.00 41.25 37.62 1wf0 s ASN 80 CO 0.61 0.06 -0.10 -0.44 -2.94 0.00 0.00 177.10 174.29 1wf0 s SER 81 N -3.16 2.72 -0.44 3.54 0.01 -1.26 -5.09 113.70 110.02 1wf0 s SER 81 Ca 0.31 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.00 1wf0 s SER 81 Cb -0.10 -1.05 0.12 0.00 0.21 0.00 0.00 66.02 65.20 1wf0 s SER 81 CO 0.23 -0.11 0.23 0.21 0.41 0.00 0.00 173.24 174.21 1wf0 s ASN 82 N 1.56 5.20 0.40 2.44 2.47 -1.26 -5.09 114.94 120.66 1wf0 s ASN 82 Ca 0.03 -2.20 -0.02 0.00 0.42 0.00 0.00 52.86 51.09 1wf0 s ASN 82 Cb -0.14 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.81 1wf0 s ASN 82 CO -0.09 -0.50 0.65 -0.55 -3.72 0.00 0.00 177.10 172.89 1wf0 s SER 83 N 1.54 6.28 0.00 -4.21 0.15 -1.26 -4.85 113.70 111.34 1wf0 s SER 83 Ca 0.10 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1wf0 s SER 83 Cb -0.22 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 1wf0 s SER 83 CO -0.04 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1wf0 n GLY 84 N -1.98 0.71 0.00 9.45 0.00 -1.26 -4.73 105.19 107.37 1wf0 n GLY 84 Ca -0.03 -2.13 0.07 0.00 0.00 0.00 0.00 46.02 43.93 1wf0 n GLY 84 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wf0 n PRO 85 N 0.00 0.49 -0.29 1.61 -0.04 -1.26 -3.81 135.00 131.70 1wf0 n PRO 85 Ca 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1wf0 n PRO 85 Cb 0.00 -1.47 0.17 0.00 -0.04 0.00 0.00 33.50 32.16 1wf0 n PRO 85 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wf0 h SER 86 N 0.00 -0.51 0.00 3.54 4.64 -1.89 -3.41 113.55 115.92 1wf0 h SER 86 Ca 0.00 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1wf0 h SER 86 Cb 0.00 0.43 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1wf0 h SER 86 CO 0.00 -0.24 0.00 -0.24 -0.87 0.00 0.00 176.83 175.48 1wf0 n SER 87 N -5.44 -0.13 0.00 4.97 2.88 -1.25 -5.21 113.62 109.45 1wf0 n SER 87 Ca 0.15 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1wf0 n SER 87 Cb 0.51 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.19 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42