#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 3.71 -0.04 1.61 1.04 -1.26 -5.09 113.70 113.67 1wf0 s SER 2 Ca 0.00 -3.09 0.06 0.00 0.48 0.00 0.00 55.95 53.40 1wf0 s SER 2 Cb 0.00 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.92 1wf0 s SER 2 CO 0.00 -0.20 -0.23 -0.94 0.98 0.00 0.00 173.24 172.86 1wf0 s SER 3 N -0.29 2.74 -0.29 7.02 1.04 -1.26 -5.11 113.70 117.55 1wf0 s SER 3 Ca 0.22 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1wf0 s SER 3 Cb -0.14 -0.60 0.19 0.00 0.10 0.00 0.00 66.02 65.56 1wf0 s SER 3 CO -0.08 0.24 0.57 -0.83 0.98 0.00 0.00 173.24 174.12 1wf0 s GLY 4 N -0.25 -1.03 0.00 7.32 0.00 -1.26 -5.04 107.32 107.07 1wf0 s GLY 4 Ca 0.01 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1wf0 s GLY 4 CO 0.02 3.42 0.41 1.44 0.00 0.00 0.00 173.10 178.39 1wf0 n SER 5 N 5.42 0.00 -2.77 1.64 7.64 -1.26 -4.61 113.62 119.68 1wf0 n SER 5 Ca 0.01 0.41 -0.03 0.00 1.01 0.00 0.00 58.87 60.27 1wf0 n SER 5 Cb 0.52 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.73 1wf0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wf0 s SER 6 N -2.43 -1.07 -0.13 6.43 1.04 -1.26 -4.26 113.70 112.02 1wf0 s SER 6 Ca 0.00 -1.18 -0.11 0.00 0.48 0.00 0.00 55.95 55.14 1wf0 s SER 6 Cb 0.00 1.40 0.04 0.00 0.10 0.00 0.00 66.02 67.56 1wf0 s SER 6 CO 0.00 -0.05 0.34 -0.83 0.98 0.00 0.00 173.24 173.69 1wf0 s GLY 7 N 1.03 -0.26 0.01 7.32 0.00 -1.26 -3.31 107.32 110.85 1wf0 s GLY 7 Ca 0.26 1.06 0.01 0.00 0.00 0.00 0.00 44.72 46.06 1wf0 s GLY 7 CO -0.07 1.01 -0.05 -1.34 0.00 0.00 0.00 173.10 172.65 1wf0 s VAL 8 N 0.48 0.34 -0.42 1.40 -7.23 -0.46 -4.13 120.40 110.38 1wf0 s VAL 8 Ca -0.02 -0.36 -0.19 0.00 -1.81 0.00 0.00 61.98 59.59 1wf0 s VAL 8 Cb -0.04 -0.32 0.02 0.00 0.56 0.00 0.00 36.38 36.59 1wf0 s VAL 8 CO -0.03 -0.02 0.57 -0.36 -0.31 0.00 0.00 175.10 174.95 1wf0 s PHE 9 N -0.38 3.11 -1.20 2.82 0.40 0.42 -1.39 117.98 121.76 1wf0 s PHE 9 Ca -0.01 -0.12 -0.15 0.00 -0.60 0.00 0.00 56.93 56.05 1wf0 s PHE 9 Cb -0.03 -3.16 0.14 0.00 0.51 0.00 0.00 43.02 40.48 1wf0 s PHE 9 CO -0.00 -0.78 1.47 0.08 0.70 0.00 0.00 175.22 176.69 1wf0 s VAL 10 N 2.57 4.80 1.24 -0.44 1.01 0.28 -3.19 120.40 126.67 1wf0 s VAL 10 Ca 0.19 -2.37 -0.20 0.00 0.00 0.00 0.00 61.98 59.60 1wf0 s VAL 10 Cb -0.15 -4.96 0.30 0.00 0.00 0.00 0.00 36.38 31.57 1wf0 s VAL 10 CO 0.17 -1.70 1.08 -0.83 0.00 0.00 0.00 175.10 173.82 1wf0 s GLY 11 N 3.22 1.56 -1.20 4.51 0.00 -1.24 -3.15 107.32 111.03 1wf0 s GLY 11 Ca 0.44 -0.93 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 1wf0 s GLY 11 CO 0.01 -0.03 0.80 0.54 0.00 0.00 0.00 173.10 174.42 1wf0 n ARG 12 N -4.90 -3.60 -1.38 2.90 5.12 -0.24 -3.91 116.66 110.65 1wf0 n ARG 12 Ca 0.13 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1wf0 n ARG 12 Cb 0.60 -5.14 0.00 0.00 -1.16 0.00 0.00 32.46 26.76 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 -0.00 -0.01 0.23 0.00 -4.23 -1.26 -4.69 115.64 105.67 1wf0 s THR 14 Ca 0.00 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.41 1wf0 s THR 14 Cb 0.00 -0.44 0.28 0.00 1.34 0.00 0.00 72.50 73.67 1wf0 s THR 14 CO 0.00 0.02 1.60 1.23 -0.54 0.00 0.00 174.62 176.92 1wf0 h GLY 15 N 6.11 0.40 -0.88 3.99 0.00 -1.99 -1.01 103.07 109.68 1wf0 h GLY 15 Ca -0.30 0.30 0.13 0.00 0.00 0.00 0.00 47.33 47.46 1wf0 h GLY 15 CO 0.32 -0.27 -0.37 1.34 0.00 0.00 0.00 176.54 177.56 1wf0 n ASP 16 N -5.49 -0.63 -4.35 0.19 2.03 -1.26 -4.51 116.55 102.54 1wf0 n ASP 16 Ca 0.09 1.54 -0.39 0.00 0.52 0.00 0.00 54.79 56.55 1wf0 n ASP 16 Cb 0.38 -0.33 0.02 0.00 -0.72 0.00 0.00 41.12 40.48 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 -5.26 0.23 -4.41 -0.67 2.81 -0.39 -4.99 117.12 104.44 1wf0 n MET 17 Ca 0.08 0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.87 1wf0 n MET 17 Cb 0.33 -1.30 -0.15 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.86 0.77 0.30 2.03 -4.23 -1.26 -4.99 115.64 106.40 1wf0 s THR 18 Ca 0.62 -0.42 0.14 0.00 -1.18 0.00 0.00 61.69 60.85 1wf0 s THR 18 Cb -0.49 -0.65 0.30 0.00 1.34 0.00 0.00 72.50 73.01 1wf0 s THR 18 CO 0.61 0.22 1.31 -0.62 -0.54 0.00 0.00 174.62 175.59 1wf0 n GLU 19 N 2.85 -0.05 0.29 3.99 4.71 -1.26 0.43 120.64 131.60 1wf0 n GLU 19 Ca -0.14 1.17 -0.17 0.00 -0.01 0.00 0.00 57.16 58.01 1wf0 n GLU 19 Cb 0.57 -2.04 -0.09 0.00 -1.01 0.00 0.00 31.44 28.87 1wf0 n GLU 19 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1wf0 h ASP 20 N 0.00 -1.15 -0.20 1.62 1.82 -1.95 0.22 116.42 116.79 1wf0 h ASP 20 Ca 0.66 0.09 0.03 0.00 -0.39 0.00 0.00 57.03 57.42 1wf0 h ASP 20 Cb 1.68 0.37 -0.05 0.00 0.68 0.00 0.00 39.33 42.01 1wf0 h ASP 20 CO -0.67 -0.61 -0.38 -0.33 -1.61 0.00 0.00 179.24 175.64 1wf0 h GLU 21 N -0.93 -0.32 -0.66 0.28 4.39 -0.43 -0.66 114.58 116.25 1wf0 h GLU 21 Ca -0.05 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.78 1wf0 h GLU 21 Cb 0.80 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.44 1wf0 h GLU 21 CO -0.02 -0.21 0.25 -0.07 -1.16 0.00 0.00 179.01 177.79 1wf0 h LEU 22 N -0.33 0.23 -1.05 1.33 3.38 -1.45 0.34 115.31 117.77 1wf0 h LEU 22 Ca 0.04 0.09 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1wf0 h LEU 22 Cb 0.43 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1wf0 h LEU 22 CO -0.36 0.12 0.61 -0.09 0.09 0.00 0.00 178.44 178.81 1wf0 h ARG 23 N 0.42 0.73 0.00 1.13 2.43 0.58 0.56 114.38 120.23 1wf0 h ARG 23 Ca 0.34 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1wf0 h ARG 23 Cb 0.46 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1wf0 h ARG 23 CO -0.35 0.49 -0.33 -1.91 -1.51 0.00 0.00 179.97 176.36 1wf0 n GLU 24 N -4.73 0.28 0.00 0.20 2.13 -0.17 -2.23 120.64 116.12 1wf0 n GLU 24 Ca 0.23 0.15 -0.09 0.00 0.66 0.00 0.00 57.16 58.10 1wf0 n GLU 24 Cb 0.57 -1.74 -0.14 0.00 0.27 0.00 0.00 31.44 30.40 1wf0 n GLU 24 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1wf0 h PHE 25 N 0.00 0.04 0.00 4.31 3.04 0.18 -3.34 116.94 121.16 1wf0 h PHE 25 Ca 0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1wf0 h PHE 25 Cb 0.74 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.25 1wf0 h PHE 25 CO 0.00 1.05 -1.03 1.19 -2.02 0.00 0.00 178.31 177.50 1wf0 n PHE 26 N -3.15 0.38 0.28 0.41 3.72 0.15 -4.05 117.46 115.20 1wf0 n PHE 26 Ca -0.14 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1wf0 n PHE 26 Cb 1.03 -0.53 0.82 0.00 -0.94 0.00 0.00 39.48 39.86 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 0.00 0.00 1.02 4.37 4.64 -1.57 -0.17 113.55 121.84 1wf0 h SER 27 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1wf0 h SER 27 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1wf0 h SER 27 CO 0.00 0.01 -0.49 0.06 -0.87 0.00 0.00 176.83 175.54 1wf0 h GLN 28 N 0.00 0.00 0.00 4.77 3.07 -1.76 -3.33 115.11 117.86 1wf0 h GLN 28 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1wf0 h GLN 28 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.57 1wf0 h GLN 28 CO 0.00 0.49 -0.13 1.88 0.09 0.00 0.00 178.83 181.15 1wf0 h TYR 29 N 0.00 0.00 -3.32 0.06 -1.99 -1.29 -3.50 116.97 106.93 1wf0 h TYR 29 Ca -0.00 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.59 1wf0 h TYR 29 Cb 1.13 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.83 1wf0 h TYR 29 CO 0.00 0.50 0.05 0.41 -0.00 0.00 0.00 178.16 179.12 1wf0 n GLY 30 N 1.67 1.70 3.46 3.88 0.00 -0.74 -5.06 105.19 110.11 1wf0 n GLY 30 Ca -0.07 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.58 3.76 -4.55 1.61 2.03 -1.26 -4.17 116.55 112.39 1wf0 n ASP 31 Ca -0.03 -2.79 -0.31 0.00 0.52 0.00 0.00 54.79 52.18 1wf0 n ASP 31 Cb 0.51 -1.67 -0.04 0.00 -0.72 0.00 0.00 41.12 39.20 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wf0 s VAL 32 N 7.31 3.24 0.12 5.18 0.11 -1.26 -0.83 120.40 134.28 1wf0 s VAL 32 Ca 0.60 -0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.36 1wf0 s VAL 32 Cb 0.04 -3.59 -0.07 0.00 -1.53 0.00 0.00 36.38 31.22 1wf0 s VAL 32 CO 0.10 -0.57 1.45 0.24 -3.33 0.00 0.00 175.10 172.99 1wf0 h MET 33 N 14.73 -0.13 -2.64 1.54 2.86 -1.49 -3.46 114.93 126.34 1wf0 h MET 33 Ca -0.12 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1wf0 h MET 33 Cb 1.12 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.72 1wf0 h MET 33 CO 1.17 -0.09 0.36 0.34 1.06 0.00 0.00 176.91 179.75 1wf0 s ASP 34 N -4.92 -0.32 -0.03 1.22 -1.08 -1.08 -5.00 116.67 105.47 1wf0 s ASP 34 Ca -0.11 -0.30 0.02 0.00 -0.52 0.00 0.00 52.55 51.64 1wf0 s ASP 34 Cb 0.08 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 42.11 1wf0 s ASP 34 CO 0.51 -0.98 -0.08 -0.69 0.52 0.00 0.00 175.17 174.45 1wf0 s VAL 35 N -3.52 0.72 0.07 1.11 1.01 -1.26 -1.52 120.40 117.02 1wf0 s VAL 35 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1wf0 s VAL 35 Cb -0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 1wf0 s VAL 35 CO -0.02 0.24 0.12 0.12 0.00 0.00 0.00 175.10 175.56 1wf0 s PHE 36 N 0.37 0.26 -0.38 5.22 5.36 -1.01 -4.83 117.98 122.97 1wf0 s PHE 36 Ca -0.06 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 1wf0 s PHE 36 Cb -0.10 -0.16 0.11 0.00 -0.34 0.00 0.00 43.02 42.53 1wf0 s PHE 36 CO 0.01 -0.48 0.14 0.42 -1.46 0.00 0.00 175.22 173.84 1wf0 s ILE 37 N -3.77 1.71 0.27 3.12 1.01 -1.26 -1.33 121.20 120.94 1wf0 s ILE 37 Ca 0.05 -2.25 -0.29 0.00 0.00 0.00 0.00 60.65 58.16 1wf0 s ILE 37 Cb 0.05 -2.24 -0.10 0.00 0.01 0.00 0.00 42.46 40.19 1wf0 s ILE 37 CO -0.10 -0.72 1.25 -2.16 0.00 0.00 0.00 174.94 173.22 1wf0 s PRO 38 N 0.83 4.44 0.29 2.79 0.04 -1.26 -4.87 135.00 137.26 1wf0 s PRO 38 Ca 0.13 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.16 1wf0 s PRO 38 Cb -0.21 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 1wf0 s PRO 38 CO -0.10 -0.11 0.58 0.15 0.04 0.00 0.00 177.00 177.56 1wf0 s LYS 39 N -1.13 3.67 0.20 4.56 -0.14 -1.26 -3.59 119.74 122.05 1wf0 s LYS 39 Ca 0.50 0.10 -0.30 0.00 -1.36 0.00 0.00 55.97 54.91 1wf0 s LYS 39 Cb -0.37 -2.62 -0.09 0.00 -1.68 0.00 0.00 37.83 33.08 1wf0 s LYS 39 CO 0.45 0.20 1.30 -1.25 -0.76 0.00 0.00 175.35 175.29 1wf0 s PRO 40 N -3.48 4.40 -0.13 -1.68 0.04 -1.26 -5.12 135.00 127.77 1wf0 s PRO 40 Ca 0.45 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 1wf0 s PRO 40 Cb -0.11 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1wf0 s PRO 40 CO 0.29 -0.24 0.95 0.12 0.04 0.00 0.00 177.00 178.16 1wf0 s PHE 41 N 0.06 3.48 -0.54 0.56 5.36 -1.24 -5.00 117.98 120.67 1wf0 s PHE 41 Ca 0.56 1.48 0.04 0.00 -0.96 0.00 0.00 56.93 58.05 1wf0 s PHE 41 Cb -0.36 -3.13 0.16 0.00 -0.34 0.00 0.00 43.02 39.35 1wf0 s PHE 41 CO 0.38 -0.23 0.39 0.50 -1.46 0.00 0.00 175.22 174.81 1wf0 s ARG 42 N 2.05 1.61 -0.27 10.12 3.52 -1.26 -4.87 118.95 129.85 1wf0 s ARG 42 Ca 0.45 -2.60 0.00 0.00 -0.13 0.00 0.00 55.73 53.45 1wf0 s ARG 42 Cb -0.18 -2.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 1wf0 s ARG 42 CO 0.16 -1.31 0.00 0.00 -0.81 0.00 0.00 175.30 173.34 1wf0 n ALA 43 N 2.60 -0.87 -2.22 6.12 0.00 -1.26 -4.81 120.51 120.08 1wf0 n ALA 43 Ca 0.22 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.56 1wf0 n ALA 43 Cb 0.40 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.08 1.16 -0.03 0.00 -0.12 -1.26 0.01 117.98 115.66 1wf0 s PHE 44 Ca 0.00 -1.22 -0.28 0.00 -0.05 0.00 0.00 56.93 55.38 1wf0 s PHE 44 Cb 0.00 -0.64 0.06 0.00 -0.63 0.00 0.00 43.02 41.82 1wf0 s PHE 44 CO 0.00 -0.44 0.62 0.00 -0.05 0.00 0.00 175.22 175.35 1wf0 s ALA 45 N -3.93 -1.61 -0.41 1.99 0.00 -1.19 -4.87 121.76 111.74 1wf0 s ALA 45 Ca 0.31 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 1wf0 s ALA 45 Cb 0.07 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1wf0 s ALA 45 CO 0.07 -0.38 0.29 0.12 0.00 0.00 0.00 175.76 175.86 1wf0 s PHE 46 N -1.37 3.25 -0.14 0.00 5.36 -0.44 -0.56 117.98 124.08 1wf0 s PHE 46 Ca -0.11 -0.83 -0.06 0.00 -0.96 0.00 0.00 56.93 54.97 1wf0 s PHE 46 Cb -0.01 -2.67 -0.04 0.00 -0.34 0.00 0.00 43.02 39.96 1wf0 s PHE 46 CO 0.08 -0.66 0.09 0.08 -1.46 0.00 0.00 175.22 173.35 1wf0 s VAL 47 N 1.62 5.10 -0.14 3.12 1.01 -0.49 -2.40 120.40 128.23 1wf0 s VAL 47 Ca 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1wf0 s VAL 47 Cb -0.20 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1wf0 s VAL 47 CO 0.08 0.56 -0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1wf0 s THR 48 N -0.51 3.13 -0.16 3.92 2.01 -0.57 -1.35 115.64 122.11 1wf0 s THR 48 Ca 0.11 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1wf0 s THR 48 Cb -0.12 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1wf0 s THR 48 CO 0.02 0.52 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.01 1wf0 s PHE 49 N 0.44 2.88 0.62 4.92 0.08 -1.21 -1.28 117.98 124.43 1wf0 s PHE 49 Ca -0.09 -0.71 0.22 0.00 0.12 0.00 0.00 56.93 56.47 1wf0 s PHE 49 Cb -0.16 -1.93 0.86 0.00 -0.57 0.00 0.00 43.02 41.22 1wf0 s PHE 49 CO 0.05 -0.30 1.37 0.00 -0.10 0.00 0.00 175.22 176.24 1wf0 h ALA 50 N 7.12 2.54 -3.70 5.36 0.00 -1.31 -3.36 119.26 125.92 1wf0 h ALA 50 Ca -0.31 -0.02 -0.62 0.00 0.00 0.00 0.00 54.91 53.96 1wf0 h ALA 50 Cb 1.19 0.05 -0.32 0.00 0.00 0.00 0.00 17.79 18.71 1wf0 h ALA 50 CO 0.58 -1.34 -0.86 -0.51 0.00 0.00 0.00 179.25 177.12 1wf0 s ASP 51 N -3.69 2.55 0.33 0.00 1.11 -1.26 -5.02 116.67 110.69 1wf0 s ASP 51 Ca -0.02 -0.44 0.10 0.00 0.18 0.00 0.00 52.55 52.37 1wf0 s ASP 51 Cb 0.11 -0.91 0.56 0.00 1.07 0.00 0.00 42.92 43.75 1wf0 s ASP 51 CO 0.37 0.16 1.75 -2.24 1.18 0.00 0.00 175.17 176.38 1wf0 h ASP 52 N 6.45 0.12 -0.21 0.27 2.03 -1.74 -2.83 116.42 120.50 1wf0 h ASP 52 Ca -0.28 -0.05 -0.06 0.00 -0.73 0.00 0.00 57.03 55.91 1wf0 h ASP 52 Cb 1.19 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 1wf0 h ASP 52 CO 0.47 0.52 -0.05 1.56 -1.03 0.00 0.00 179.24 180.71 1wf0 h GLN 53 N 0.10 0.54 -0.38 4.15 1.08 -1.93 -1.47 115.11 117.21 1wf0 h GLN 53 Ca 0.01 -0.14 -0.11 0.00 -1.45 0.00 0.00 58.65 56.96 1wf0 h GLN 53 Cb 0.77 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1wf0 h GLN 53 CO 0.06 0.61 -0.21 0.82 -0.95 0.00 0.00 178.83 179.16 1wf0 h ILE 54 N 0.51 1.27 -0.19 2.54 2.04 -1.88 -0.31 117.51 121.49 1wf0 h ILE 54 Ca 0.10 -1.30 -0.19 0.00 1.00 0.00 0.00 64.86 64.47 1wf0 h ILE 54 Cb 0.41 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1wf0 h ILE 54 CO 0.02 0.43 -0.62 0.00 0.00 0.00 0.00 178.15 177.98 1wf0 h ALA 55 N 1.12 0.33 0.42 1.87 0.00 -1.43 -2.85 119.26 118.71 1wf0 h ALA 55 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1wf0 h ALA 55 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1wf0 h ALA 55 CO 0.05 0.60 -0.20 1.96 0.00 0.00 0.00 179.25 181.66 1wf0 h GLN 56 N 0.48 -0.54 -1.02 0.00 1.08 -1.20 -2.25 115.11 111.65 1wf0 h GLN 56 Ca -0.02 0.04 0.25 0.00 -1.45 0.00 0.00 58.65 57.47 1wf0 h GLN 56 Cb 1.24 0.12 -0.10 0.00 -0.05 0.00 0.00 27.48 28.70 1wf0 h GLN 56 CO 0.13 -0.24 0.65 0.77 -0.95 0.00 0.00 178.83 179.19 1wf0 h SER 57 N -0.97 0.52 -0.30 1.46 0.02 -1.17 0.27 113.55 113.38 1wf0 h SER 57 Ca -0.06 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1wf0 h SER 57 Cb 0.56 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1wf0 h SER 57 CO 0.09 0.11 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.48 1wf0 h LEU 58 N 0.47 0.88 -9.31 5.07 3.38 -1.46 -3.44 115.31 110.91 1wf0 h LEU 58 Ca 0.60 -0.38 -0.66 0.00 0.09 0.00 0.00 57.88 57.53 1wf0 h LEU 58 Cb 1.38 -0.25 0.07 0.00 0.09 0.00 0.00 40.66 41.96 1wf0 h LEU 58 CO -0.34 1.14 0.30 0.00 0.09 0.00 0.00 178.44 179.64 1wf0 n GLY 60 N 2.13 2.44 3.73 0.00 0.00 0.00 -4.99 105.19 108.50 1wf0 n GLY 60 Ca 0.16 0.00 -0.39 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 -0.60 4.41 -0.37 1.61 0.41 0.40 -4.93 118.70 119.63 1wf0 s GLU 61 Ca 0.00 0.82 -0.19 0.00 -0.41 0.00 0.00 54.97 55.19 1wf0 s GLU 61 Cb 0.00 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1wf0 s GLU 61 CO 0.00 0.15 0.57 -0.51 -0.49 0.00 0.00 175.26 174.98 1wf0 s ASP 62 N 0.51 6.34 0.10 -0.19 1.11 -1.26 -3.69 116.67 119.58 1wf0 s ASP 62 Ca 0.35 -0.08 0.05 0.00 0.18 0.00 0.00 52.55 53.05 1wf0 s ASP 62 Cb -0.18 -2.29 -0.04 0.00 1.07 0.00 0.00 42.92 41.48 1wf0 s ASP 62 CO 0.17 -0.57 -0.00 -0.76 1.18 0.00 0.00 175.17 175.19 1wf0 s LEU 63 N 2.54 3.44 -0.20 1.23 1.43 -1.18 -4.96 118.68 120.99 1wf0 s LEU 63 Ca 0.21 -0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1wf0 s LEU 63 Cb -0.15 -2.17 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1wf0 s LEU 63 CO 0.15 0.17 0.01 -0.63 0.23 0.00 0.00 176.35 176.28 1wf0 s ILE 64 N -1.33 4.11 -0.34 -0.59 -1.09 -1.26 -1.73 121.20 118.97 1wf0 s ILE 64 Ca 0.26 -0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.44 1wf0 s ILE 64 Cb -0.12 -2.86 0.10 0.00 -1.58 0.00 0.00 42.46 38.01 1wf0 s ILE 64 CO 0.18 0.43 0.08 -0.63 -1.23 0.00 0.00 174.94 173.77 1wf0 s ILE 65 N 0.91 1.75 0.00 2.92 1.01 -0.41 -4.70 121.20 122.68 1wf0 s ILE 65 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.64 1wf0 s ILE 65 Cb -0.14 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1wf0 s ILE 65 CO 0.02 -0.64 0.00 0.29 0.00 0.00 0.00 174.94 174.61 1wf0 n LYS 66 N 4.43 -0.10 0.00 2.79 5.02 -1.26 -3.18 118.16 125.85 1wf0 n LYS 66 Ca 0.02 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1wf0 n LYS 66 Cb 0.42 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.48 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 -2.28 0.64 3.82 0.72 0.00 -1.26 -5.10 105.19 101.72 1wf0 n GLY 67 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.98 4.21 -0.26 -0.61 -5.25 -1.19 -5.00 121.20 112.11 1wf0 s ILE 68 Ca 0.00 1.17 -0.06 0.00 -0.99 0.00 0.00 60.65 60.77 1wf0 s ILE 68 Cb 0.00 -3.57 -0.01 0.00 2.95 0.00 0.00 42.46 41.83 1wf0 s ILE 68 CO 0.00 -0.50 0.05 -0.55 -1.79 0.00 0.00 174.94 172.15 1wf0 s SER 69 N -2.65 4.93 0.27 4.36 0.15 -1.26 -1.29 113.70 118.22 1wf0 s SER 69 Ca 0.62 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.87 1wf0 s SER 69 Cb -0.12 -1.86 -0.03 0.00 -1.71 0.00 0.00 66.02 62.29 1wf0 s SER 69 CO 0.27 -0.10 0.22 0.68 1.20 0.00 0.00 173.24 175.51 1wf0 s VAL 70 N 1.53 4.23 -0.20 4.45 -7.23 -0.71 -4.87 120.40 117.60 1wf0 s VAL 70 Ca 0.05 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1wf0 s VAL 70 Cb -0.16 -3.35 0.04 0.00 0.56 0.00 0.00 36.38 33.47 1wf0 s VAL 70 CO 0.01 -0.31 -0.13 -2.28 -0.31 0.00 0.00 175.10 172.08 1wf0 s HIS 71 N -2.18 2.66 -0.09 2.82 2.46 -1.25 -3.12 115.29 116.60 1wf0 s HIS 71 Ca 0.35 -1.72 -0.30 0.00 0.47 0.00 0.00 55.06 53.86 1wf0 s HIS 71 Cb -0.07 -1.77 -0.02 0.00 -0.13 0.00 0.00 32.58 30.59 1wf0 s HIS 71 CO 0.25 -0.78 1.04 0.42 -2.47 0.00 0.00 174.74 173.20 1wf0 s ILE 72 N 1.32 4.69 0.22 0.89 -1.09 -1.24 -3.59 121.20 122.40 1wf0 s ILE 72 Ca -0.01 1.96 -0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1wf0 s ILE 72 Cb -0.16 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 1wf0 s ILE 72 CO -0.09 0.01 0.17 -0.55 -1.23 0.00 0.00 174.94 173.25 1wf0 s SER 73 N 1.16 0.37 -0.30 3.58 0.15 -1.19 -0.82 113.70 116.64 1wf0 s SER 73 Ca 0.50 -1.43 -0.04 0.00 0.70 0.00 0.00 55.95 55.68 1wf0 s SER 73 Cb -0.19 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1wf0 s SER 73 CO 0.19 -0.89 0.03 0.21 1.20 0.00 0.00 173.24 173.98 1wf0 s ASN 74 N -3.19 4.95 -0.01 5.45 2.47 -1.26 -0.43 114.94 122.92 1wf0 s ASN 74 Ca 0.39 -1.12 0.02 0.00 0.42 0.00 0.00 52.86 52.57 1wf0 s ASN 74 Cb 0.06 -1.77 -0.00 0.00 -1.45 0.00 0.00 41.25 38.09 1wf0 s ASN 74 CO 0.14 -0.25 -0.08 0.00 -3.72 0.00 0.00 177.10 173.19 1wf0 s ALA 75 N 1.33 0.69 -0.34 1.71 0.00 -1.26 -4.91 121.76 118.99 1wf0 s ALA 75 Ca -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1wf0 s ALA 75 Cb -0.19 -0.22 0.13 0.00 0.00 0.00 0.00 23.12 22.84 1wf0 s ALA 75 CO -0.00 0.14 0.19 -1.21 0.00 0.00 0.00 175.76 174.88 1wf0 s GLU 76 N 0.01 0.48 0.31 0.00 2.02 -1.26 -4.68 118.70 115.57 1wf0 s GLU 76 Ca 0.00 -1.16 -0.29 0.00 0.02 0.00 0.00 54.97 53.54 1wf0 s GLU 76 Cb -0.05 -1.27 -0.10 0.00 0.10 0.00 0.00 34.13 32.80 1wf0 s GLU 76 CO -0.00 -1.17 1.23 -1.25 0.02 0.00 0.00 175.26 174.09 1wf0 s PRO 77 N 1.28 4.46 -0.10 0.39 0.04 -1.26 -4.99 135.00 134.82 1wf0 s PRO 77 Ca 0.16 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.96 1wf0 s PRO 77 Cb -0.22 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1wf0 s PRO 77 CO -0.07 -0.04 1.07 0.21 0.04 0.00 0.00 177.00 178.21 1wf0 s LYS 78 N -1.59 4.39 -0.16 4.56 2.20 -1.26 -4.85 119.74 123.02 1wf0 s LYS 78 Ca 0.48 1.47 0.06 0.00 -0.36 0.00 0.00 55.97 57.61 1wf0 s LYS 78 Cb -0.37 -3.56 0.19 0.00 -1.51 0.00 0.00 37.83 32.58 1wf0 s LYS 78 CO 0.48 -0.38 1.18 1.58 -0.36 0.00 0.00 175.35 177.85 1wf0 n HIS 79 N 5.20 -0.95 -1.53 4.03 -0.00 -1.26 -5.08 115.22 115.62 1wf0 n HIS 79 Ca 0.10 -1.01 -0.28 0.00 0.46 0.00 0.00 57.72 56.99 1wf0 n HIS 79 Cb 0.48 0.98 -0.10 0.00 -0.12 0.00 0.00 29.99 31.23 1wf0 n HIS 79 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1wf0 n ASN 80 N -0.72 1.13 -4.11 0.26 2.85 -1.26 -4.87 115.26 108.54 1wf0 n ASN 80 Ca -0.21 -0.68 -0.11 0.00 -0.11 0.00 0.00 54.58 53.47 1wf0 n ASN 80 Cb 0.75 -1.30 -0.11 0.00 1.24 0.00 0.00 39.78 40.36 1wf0 n ASN 80 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wf0 s SER 81 N 9.14 0.94 -0.68 1.20 0.01 -1.26 -5.11 113.70 117.95 1wf0 s SER 81 Ca 1.10 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 57.41 1wf0 s SER 81 Cb -0.49 0.07 0.14 0.00 0.21 0.00 0.00 66.02 65.96 1wf0 s SER 81 CO 0.30 -0.35 0.72 0.21 0.41 0.00 0.00 173.24 174.53 1wf0 s ASN 82 N -2.32 6.39 0.95 2.44 3.84 -1.26 -5.05 114.94 119.94 1wf0 s ASN 82 Ca 0.01 -1.94 -0.11 0.00 0.21 0.00 0.00 52.86 51.03 1wf0 s ASN 82 Cb -0.02 -2.26 0.17 0.00 -0.55 0.00 0.00 41.25 38.58 1wf0 s ASN 82 CO -0.03 -0.90 1.12 -0.55 -2.79 0.00 0.00 177.10 173.96 1wf0 s SER 83 N 3.23 2.63 0.20 -4.21 0.15 -1.26 -5.04 113.70 109.40 1wf0 s SER 83 Ca 0.13 2.03 0.10 0.00 0.70 0.00 0.00 55.95 58.92 1wf0 s SER 83 Cb -0.20 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 1wf0 s SER 83 CO -0.01 -3.26 -0.20 -0.83 1.20 0.00 0.00 173.24 170.15 1wf0 s GLY 84 N -2.69 1.61 0.00 9.45 0.00 -1.26 -5.01 107.32 109.42 1wf0 s GLY 84 Ca 0.67 -1.64 0.15 0.00 0.00 0.00 0.00 44.72 43.89 1wf0 s GLY 84 CO 0.59 -1.70 1.31 -1.55 0.00 0.00 0.00 173.10 171.75 1wf0 n PRO 85 N 0.02 0.49 -1.10 2.90 -0.04 -1.26 -4.97 135.00 131.03 1wf0 n PRO 85 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1wf0 n PRO 85 Cb 0.58 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1wf0 n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wf0 n SER 86 N -0.98 -6.01 -2.69 3.54 2.88 -1.26 -4.98 113.62 104.11 1wf0 n SER 86 Ca 0.11 1.21 -0.01 0.00 -1.33 0.00 0.00 58.87 58.85 1wf0 n SER 86 Cb 0.05 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 1wf0 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf0 n SER 87 N -1.97 -7.82 0.00 -3.46 7.64 -1.26 -5.33 113.62 101.42 1wf0 n SER 87 Ca 0.00 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1wf0 n SER 87 Cb 0.26 -5.21 0.00 0.00 -1.01 0.00 0.00 64.21 58.26 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64