#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 n SER 2 N 0.00 -3.71 -4.76 1.61 7.64 -1.26 -4.97 113.62 108.18 1wf0 n SER 2 Ca 0.00 1.26 -0.31 0.00 1.01 0.00 0.00 58.87 60.83 1wf0 n SER 2 Cb 0.00 -4.91 0.10 0.00 -1.01 0.00 0.00 64.21 58.39 1wf0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf0 s SER 3 N -1.02 4.35 -0.12 6.43 0.01 -1.26 -4.61 113.70 117.48 1wf0 s SER 3 Ca -0.14 1.90 -0.03 0.00 1.31 0.00 0.00 55.95 58.98 1wf0 s SER 3 Cb 0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wf0 s SER 3 CO 0.72 -2.14 0.12 0.61 0.41 0.00 0.00 173.24 172.96 1wf0 n GLY 4 N -0.93 -1.76 3.88 3.44 0.00 -1.26 -5.04 105.19 103.52 1wf0 n GLY 4 Ca 0.10 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.15 6.35 -0.62 1.61 0.01 -1.26 -5.04 113.70 113.61 1wf0 s SER 5 Ca 0.05 1.19 0.06 0.00 1.31 0.00 0.00 55.95 58.56 1wf0 s SER 5 Cb -0.01 -2.36 0.26 0.00 0.21 0.00 0.00 66.02 64.11 1wf0 s SER 5 CO 0.24 -0.62 0.75 -1.20 0.41 0.00 0.00 173.24 172.82 1wf0 n SER 6 N -2.11 3.64 -4.17 2.44 7.64 -1.26 -4.99 113.62 114.80 1wf0 n SER 6 Ca 0.03 -3.43 -0.11 0.00 1.01 0.00 0.00 58.87 56.38 1wf0 n SER 6 Cb 0.54 -0.66 -0.10 0.00 -1.01 0.00 0.00 64.21 62.98 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 -2.48 1.18 0.06 0.23 0.00 -1.26 -0.66 107.32 104.38 1wf0 s GLY 7 Ca 0.40 -1.57 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1wf0 s GLY 7 CO -0.02 -1.39 -0.05 -1.34 0.00 0.00 0.00 173.10 170.30 1wf0 s VAL 8 N -4.07 0.41 -0.32 1.40 -7.23 -0.65 -4.44 120.40 105.50 1wf0 s VAL 8 Ca 0.30 -1.56 -0.16 0.00 -1.81 0.00 0.00 61.98 58.75 1wf0 s VAL 8 Cb 0.07 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 1wf0 s VAL 8 CO 0.06 -0.76 0.40 -0.36 -0.31 0.00 0.00 175.10 174.12 1wf0 s PHE 9 N -2.95 3.21 -0.96 2.82 0.08 -0.25 -2.08 117.98 117.85 1wf0 s PHE 9 Ca 0.01 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.07 1wf0 s PHE 9 Cb 0.01 -2.69 0.17 0.00 -0.57 0.00 0.00 43.02 39.94 1wf0 s PHE 9 CO -0.05 -0.39 1.09 0.08 -0.10 0.00 0.00 175.22 175.85 1wf0 s VAL 10 N 2.11 5.09 0.08 -0.44 1.01 0.16 -3.64 120.40 124.78 1wf0 s VAL 10 Ca 0.14 -2.11 -0.01 0.00 0.00 0.00 0.00 61.98 60.01 1wf0 s VAL 10 Cb -0.16 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.52 1wf0 s VAL 10 CO 0.11 -1.38 0.11 0.61 0.00 0.00 0.00 175.10 174.55 1wf0 n GLY 11 N 4.68 -0.14 2.74 4.51 0.00 -1.25 -1.81 105.19 113.92 1wf0 n GLY 11 Ca 0.24 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.21 -1.36 -1.49 1.61 5.12 -0.04 -4.18 116.66 115.10 1wf0 n ARG 12 Ca 0.02 0.34 -0.30 0.00 -1.93 0.00 0.00 57.85 55.97 1wf0 n ARG 12 Cb 0.05 -4.39 0.23 0.00 -1.16 0.00 0.00 32.46 27.19 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wf0 n THR 14 N -4.39 0.25 0.00 0.00 -2.24 -1.26 -4.64 114.28 102.00 1wf0 n THR 14 Ca 0.16 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1wf0 n THR 14 Cb 0.60 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.83 1wf0 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wf0 n GLY 15 N -0.13 1.90 0.35 3.38 0.00 -1.26 -4.79 105.19 104.65 1wf0 n GLY 15 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1wf0 n GLY 15 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wf0 h ASP 16 N 0.00 -0.82 -1.60 1.61 5.19 -2.04 -3.36 116.42 115.40 1wf0 h ASP 16 Ca 0.00 0.29 -0.58 0.00 -0.62 0.00 0.00 57.03 56.13 1wf0 h ASP 16 Cb 0.00 0.59 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1wf0 h ASP 16 CO 0.00 -0.34 1.52 0.23 -3.12 0.00 0.00 179.24 177.54 1wf0 n MET 17 N -5.60 1.46 -2.70 3.56 2.81 -1.26 -4.93 117.12 110.46 1wf0 n MET 17 Ca 0.18 0.33 -0.33 0.00 -1.81 0.00 0.00 57.70 56.07 1wf0 n MET 17 Cb 0.56 -3.03 -0.06 0.00 -0.71 0.00 0.00 33.22 29.98 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 9.01 4.26 0.44 2.03 -4.23 -1.26 -4.85 115.64 121.04 1wf0 s THR 18 Ca 1.04 1.37 0.30 0.00 -1.18 0.00 0.00 61.69 63.22 1wf0 s THR 18 Cb -0.46 -3.57 0.49 0.00 1.34 0.00 0.00 72.50 70.30 1wf0 s THR 18 CO 0.37 -0.34 1.64 -0.33 -0.54 0.00 0.00 174.62 175.42 1wf0 h GLU 19 N 1.70 0.10 0.46 3.99 5.08 -1.91 0.74 114.58 124.73 1wf0 h GLU 19 Ca -0.49 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1wf0 h GLU 19 Cb 1.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wf0 h GLU 19 CO 0.61 0.07 -0.22 -0.44 -1.00 0.00 0.00 179.01 178.02 1wf0 h ASP 20 N 0.10 -0.52 -0.80 1.42 3.32 -1.92 -1.16 116.42 116.87 1wf0 h ASP 20 Ca 0.80 -0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.91 1wf0 h ASP 20 Cb 2.53 0.13 -0.13 0.00 0.22 0.00 0.00 39.33 42.08 1wf0 h ASP 20 CO -0.38 -0.10 -0.40 -0.33 -1.72 0.00 0.00 179.24 176.31 1wf0 h GLU 21 N -1.07 -0.09 -0.31 3.56 4.39 -1.23 0.59 114.58 120.41 1wf0 h GLU 21 Ca -0.06 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1wf0 h GLU 21 Cb 0.55 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1wf0 h GLU 21 CO 0.10 -0.06 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.76 1wf0 h LEU 22 N -0.09 0.48 -1.33 1.33 3.38 -1.49 -0.87 115.31 116.72 1wf0 h LEU 22 Ca 0.26 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1wf0 h LEU 22 Cb 0.56 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1wf0 h LEU 22 CO -0.84 0.59 -0.06 -0.09 0.09 0.00 0.00 178.44 178.14 1wf0 h ARG 23 N 0.48 0.38 0.00 1.13 2.43 0.13 -0.40 114.38 118.53 1wf0 h ARG 23 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1wf0 h ARG 23 Cb 0.40 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1wf0 h ARG 23 CO 0.02 0.46 -0.65 0.39 -1.51 0.00 0.00 179.97 178.67 1wf0 n GLU 24 N -4.29 0.22 0.04 0.20 1.02 0.59 -3.19 120.64 115.23 1wf0 n GLU 24 Ca 0.00 0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 56.97 1wf0 n GLU 24 Cb 0.25 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 1wf0 n GLU 24 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wf0 h PHE 25 N 0.00 0.59 -0.01 -0.32 3.04 -0.43 -3.33 116.94 116.49 1wf0 h PHE 25 Ca 0.00 -0.43 0.00 0.00 3.98 0.00 0.00 57.97 61.52 1wf0 h PHE 25 Cb 0.68 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.16 1wf0 h PHE 25 CO 0.00 1.62 -0.04 1.19 -2.02 0.00 0.00 178.31 179.06 1wf0 n PHE 26 N -3.75 0.00 0.20 0.41 3.72 -0.23 -3.53 117.46 114.29 1wf0 n PHE 26 Ca -0.25 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.25 1wf0 n PHE 26 Cb 0.99 -0.06 0.25 0.00 -0.94 0.00 0.00 39.48 39.73 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 1.03 0.00 0.56 4.37 4.64 -1.65 -3.03 113.55 119.46 1wf0 h SER 27 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1wf0 h SER 27 Cb 0.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1wf0 h SER 27 CO 0.00 0.19 -0.60 0.06 -0.87 0.00 0.00 176.83 175.61 1wf0 h GLN 28 N 0.00 0.05 0.02 4.77 3.07 -1.74 -3.29 115.11 117.98 1wf0 h GLN 28 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1wf0 h GLN 28 Cb 1.00 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1wf0 h GLN 28 CO 0.03 0.64 -0.01 1.88 0.09 0.00 0.00 178.83 181.45 1wf0 h TYR 29 N 0.04 -0.02 0.00 0.06 0.05 -1.77 -3.49 116.97 111.83 1wf0 h TYR 29 Ca -0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1wf0 h TYR 29 Cb 1.08 0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1wf0 h TYR 29 CO 0.00 0.71 0.00 0.41 -1.05 0.00 0.00 178.16 178.23 1wf0 n GLY 30 N 1.43 4.68 2.54 3.88 0.00 -1.15 -5.11 105.19 111.46 1wf0 n GLY 30 Ca -0.08 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 1.10 2.61 -0.64 1.61 -1.08 -1.26 -4.63 116.67 114.37 1wf0 s ASP 31 Ca 0.00 -2.97 -0.26 0.00 -0.52 0.00 0.00 52.55 48.80 1wf0 s ASP 31 Cb 0.00 -0.72 -0.07 0.00 -1.46 0.00 0.00 42.92 40.67 1wf0 s ASP 31 CO 0.00 -0.20 2.20 0.54 0.52 0.00 0.00 175.17 178.23 1wf0 s VAL 32 N 0.04 3.16 0.21 1.11 0.11 -1.26 -1.15 120.40 122.62 1wf0 s VAL 32 Ca 0.26 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 1wf0 s VAL 32 Cb -0.07 -3.40 0.18 0.00 -1.53 0.00 0.00 36.38 31.56 1wf0 s VAL 32 CO -0.12 -0.38 1.57 0.24 -3.33 0.00 0.00 175.10 173.08 1wf0 h MET 33 N 15.78 -0.09 -2.79 1.54 2.86 -1.58 -3.45 114.93 127.21 1wf0 h MET 33 Ca -0.15 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1wf0 h MET 33 Cb 1.15 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.79 1wf0 h MET 33 CO 1.15 -0.06 0.35 0.34 1.06 0.00 0.00 176.91 179.75 1wf0 s ASP 34 N -5.24 -0.14 -0.05 1.22 -1.08 -1.18 -5.04 116.67 105.15 1wf0 s ASP 34 Ca -0.14 -0.71 -0.02 0.00 -0.52 0.00 0.00 52.55 51.15 1wf0 s ASP 34 Cb 0.18 0.68 0.03 0.00 -1.46 0.00 0.00 42.92 42.35 1wf0 s ASP 34 CO 0.70 -1.29 0.09 -0.69 0.52 0.00 0.00 175.17 174.50 1wf0 s VAL 35 N -3.14 -0.15 0.17 1.11 1.01 -1.26 -1.59 120.40 116.55 1wf0 s VAL 35 Ca 0.14 0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.62 1wf0 s VAL 35 Cb -0.04 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1wf0 s VAL 35 CO 0.07 0.17 -0.19 0.12 0.00 0.00 0.00 175.10 175.27 1wf0 s PHE 36 N 2.17 2.44 -0.47 5.22 5.36 -0.53 -4.89 117.98 127.28 1wf0 s PHE 36 Ca 0.04 -0.30 -0.01 0.00 -0.96 0.00 0.00 56.93 55.70 1wf0 s PHE 36 Cb -0.12 -1.23 0.12 0.00 -0.34 0.00 0.00 43.02 41.46 1wf0 s PHE 36 CO -0.04 0.47 0.25 0.42 -1.46 0.00 0.00 175.22 174.86 1wf0 s ILE 37 N -1.54 3.17 -0.24 3.12 1.01 -1.26 -1.42 121.20 124.04 1wf0 s ILE 37 Ca 0.21 -2.48 -0.29 0.00 0.00 0.00 0.00 60.65 58.09 1wf0 s ILE 37 Cb -0.09 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.19 1wf0 s ILE 37 CO 0.11 -0.74 1.64 -2.16 0.00 0.00 0.00 174.94 173.79 1wf0 s PRO 38 N 0.63 3.72 0.38 2.79 0.04 -1.26 -4.89 135.00 136.40 1wf0 s PRO 38 Ca 0.12 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1wf0 s PRO 38 Cb -0.22 -4.06 -0.06 0.00 0.04 0.00 0.00 34.50 30.20 1wf0 s PRO 38 CO -0.04 -1.39 0.74 0.15 0.04 0.00 0.00 177.00 176.50 1wf0 s LYS 39 N 4.83 3.78 0.16 4.56 1.02 -1.26 -3.66 119.74 129.16 1wf0 s LYS 39 Ca 0.72 0.43 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 1wf0 s LYS 39 Cb -0.24 -2.42 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 1wf0 s LYS 39 CO 0.30 0.01 1.33 -1.25 -0.92 0.00 0.00 175.35 174.82 1wf0 s PRO 40 N -3.75 4.37 -0.39 -1.68 0.04 -1.26 -5.08 135.00 127.25 1wf0 s PRO 40 Ca 0.51 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 1wf0 s PRO 40 Cb -0.10 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1wf0 s PRO 40 CO 0.30 -0.32 1.87 0.12 0.04 0.00 0.00 177.00 179.01 1wf0 s PHE 41 N 0.57 1.69 -0.77 0.56 5.36 -1.24 -4.93 117.98 119.23 1wf0 s PHE 41 Ca 0.60 0.72 -0.03 0.00 -0.96 0.00 0.00 56.93 57.26 1wf0 s PHE 41 Cb -0.36 -4.07 0.19 0.00 -0.34 0.00 0.00 43.02 38.44 1wf0 s PHE 41 CO 0.34 -2.84 0.62 1.03 -1.46 0.00 0.00 175.22 172.91 1wf0 s ARG 42 N 6.16 2.96 -0.89 10.12 0.52 -1.26 -4.78 118.95 131.78 1wf0 s ARG 42 Ca 0.79 -2.90 -0.11 0.00 -0.52 0.00 0.00 55.73 52.99 1wf0 s ARG 42 Cb -0.20 -3.88 0.11 0.00 0.52 0.00 0.00 34.95 31.50 1wf0 s ARG 42 CO 0.30 -1.23 0.28 0.00 0.02 0.00 0.00 175.30 174.68 1wf0 n ALA 43 N 2.94 -0.96 -3.61 2.13 0.00 -1.26 -4.82 120.51 114.93 1wf0 n ALA 43 Ca 0.15 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1wf0 n ALA 43 Cb 0.38 -1.38 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.38 -0.73 0.22 0.00 -0.71 -1.26 -0.86 117.98 112.25 1wf0 s PHE 44 Ca 0.39 1.70 0.04 0.00 -1.04 0.00 0.00 56.93 58.03 1wf0 s PHE 44 Cb -0.23 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1wf0 s PHE 44 CO 0.48 -0.41 -0.04 0.00 -1.34 0.00 0.00 175.22 173.91 1wf0 s ALA 45 N 0.06 1.84 -0.13 1.99 0.00 -0.75 -4.79 121.76 119.98 1wf0 s ALA 45 Ca -0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.16 1wf0 s ALA 45 Cb -0.04 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1wf0 s ALA 45 CO 0.02 -0.17 0.05 0.12 0.00 0.00 0.00 175.76 175.78 1wf0 s PHE 46 N -3.31 3.29 0.06 0.00 5.36 -0.50 -0.66 117.98 122.22 1wf0 s PHE 46 Ca 0.26 0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 1wf0 s PHE 46 Cb 0.04 -1.92 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 1wf0 s PHE 46 CO 0.08 0.42 -0.13 0.08 -1.46 0.00 0.00 175.22 174.21 1wf0 s VAL 47 N -0.48 0.99 -0.05 3.12 1.01 -0.88 -1.46 120.40 122.65 1wf0 s VAL 47 Ca 0.10 -1.17 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1wf0 s VAL 47 Cb -0.12 -0.95 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1wf0 s VAL 47 CO 0.02 -0.19 -0.20 -0.89 0.00 0.00 0.00 175.10 173.84 1wf0 s THR 48 N -1.17 1.63 0.08 3.92 2.01 -0.62 -1.63 115.64 119.86 1wf0 s THR 48 Ca -0.03 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.21 1wf0 s THR 48 Cb -0.09 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1wf0 s THR 48 CO 0.02 0.46 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.00 1wf0 s PHE 49 N 0.02 2.89 -1.37 4.92 0.08 0.16 -1.61 117.98 123.07 1wf0 s PHE 49 Ca -0.05 -0.07 0.13 0.00 0.12 0.00 0.00 56.93 57.05 1wf0 s PHE 49 Cb -0.13 -1.51 0.62 0.00 -0.57 0.00 0.00 43.02 41.44 1wf0 s PHE 49 CO 0.03 0.45 1.33 0.00 -0.10 0.00 0.00 175.22 176.92 1wf0 n ALA 50 N 0.75 1.72 -3.62 5.36 0.00 -0.30 -4.58 120.51 119.83 1wf0 n ALA 50 Ca -0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1wf0 n ALA 50 Cb 0.52 -1.20 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 1wf0 n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1wf0 s ASP 51 N -2.63 -0.30 0.46 0.00 -1.08 -1.26 -5.03 116.67 106.83 1wf0 s ASP 51 Ca 0.11 0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.89 1wf0 s ASP 51 Cb 0.08 0.49 1.08 0.00 -1.46 0.00 0.00 42.92 43.11 1wf0 s ASP 51 CO 0.20 -0.16 2.00 -2.24 0.52 0.00 0.00 175.17 175.49 1wf0 h ASP 52 N 6.94 0.00 0.20 -0.34 2.03 -1.87 -1.94 116.42 121.44 1wf0 h ASP 52 Ca -0.38 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.89 1wf0 h ASP 52 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1wf0 h ASP 52 CO 0.36 0.18 -0.15 0.06 -1.03 0.00 0.00 179.24 178.66 1wf0 h GLN 53 N 0.00 0.00 0.18 4.15 3.07 -1.97 -0.61 115.11 119.92 1wf0 h GLN 53 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.44 1wf0 h GLN 53 Cb 0.33 0.00 0.02 0.00 0.08 0.00 0.00 27.48 27.91 1wf0 h GLN 53 CO 0.02 0.15 -1.33 0.82 0.09 0.00 0.00 178.83 178.58 1wf0 h ILE 54 N 0.00 1.41 -0.01 1.86 1.08 -1.77 -0.29 117.51 119.78 1wf0 h ILE 54 Ca -0.00 -2.89 -0.13 0.00 -0.39 0.00 0.00 64.86 61.44 1wf0 h ILE 54 Cb 0.29 2.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.99 1wf0 h ILE 54 CO 0.02 0.85 -0.62 0.00 -0.69 0.00 0.00 178.15 177.71 1wf0 h ALA 55 N 0.40 0.95 0.00 1.87 0.00 -1.32 -2.99 119.26 118.17 1wf0 h ALA 55 Ca -0.18 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.07 1wf0 h ALA 55 Cb 2.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1wf0 h ALA 55 CO 0.23 0.77 -0.63 1.96 0.00 0.00 0.00 179.25 181.59 1wf0 h GLN 56 N 0.03 0.00 -0.38 0.00 4.20 -1.19 -3.13 115.11 114.63 1wf0 h GLN 56 Ca -0.01 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.81 1wf0 h GLN 56 Cb 1.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 1wf0 h GLN 56 CO 0.08 0.54 0.62 1.03 -0.67 0.00 0.00 178.83 180.43 1wf0 h SER 57 N -1.00 0.00 0.42 1.46 0.87 -1.16 0.57 113.55 114.71 1wf0 h SER 57 Ca -0.13 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.12 1wf0 h SER 57 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.75 1wf0 h SER 57 CO -0.08 0.00 -1.65 -0.07 -0.53 0.00 0.00 176.83 174.50 1wf0 h LEU 58 N 0.00 0.28 -9.17 2.23 3.38 -1.65 -3.46 115.31 106.92 1wf0 h LEU 58 Ca 0.18 -0.47 -0.73 0.00 0.09 0.00 0.00 57.88 56.95 1wf0 h LEU 58 Cb 1.42 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 42.11 1wf0 h LEU 58 CO -0.00 1.40 0.67 0.00 0.09 0.00 0.00 178.44 180.60 1wf0 n GLY 60 N 3.40 0.65 3.73 0.00 0.00 -0.56 -5.00 105.19 107.41 1wf0 n GLY 60 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.99 4.36 -0.41 1.61 0.41 0.87 -4.94 118.70 119.61 1wf0 s GLU 61 Ca 0.00 0.66 -0.19 0.00 -0.41 0.00 0.00 54.97 55.03 1wf0 s GLU 61 Cb 0.00 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.95 1wf0 s GLU 61 CO 0.00 0.19 0.53 -0.51 -0.49 0.00 0.00 175.26 174.98 1wf0 s ASP 62 N 0.44 6.27 0.27 -0.19 1.11 -1.26 -3.63 116.67 119.67 1wf0 s ASP 62 Ca 0.31 -0.40 0.07 0.00 0.18 0.00 0.00 52.55 52.71 1wf0 s ASP 62 Cb -0.17 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1wf0 s ASP 62 CO 0.15 -0.62 0.20 -0.76 1.18 0.00 0.00 175.17 175.31 1wf0 s LEU 63 N 2.44 3.72 -0.17 1.23 1.43 -1.12 -4.96 118.68 121.24 1wf0 s LEU 63 Ca 0.17 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1wf0 s LEU 63 Cb -0.16 -2.26 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1wf0 s LEU 63 CO 0.15 -0.09 -0.14 -0.63 0.23 0.00 0.00 176.35 175.88 1wf0 s ILE 64 N -2.18 2.74 -0.15 -0.59 -1.09 -1.26 -1.25 121.20 117.41 1wf0 s ILE 64 Ca 0.34 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 1wf0 s ILE 64 Cb -0.07 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1wf0 s ILE 64 CO 0.25 0.50 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.70 1wf0 s ILE 65 N 1.01 1.51 -2.01 2.92 1.01 0.67 -4.70 121.20 121.62 1wf0 s ILE 65 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1wf0 s ILE 65 Cb -0.15 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.86 1wf0 s ILE 65 CO -0.03 0.39 0.00 0.29 0.00 0.00 0.00 174.94 175.59 1wf0 n LYS 66 N 4.78 -1.32 0.00 2.79 5.02 -1.26 -1.41 118.16 126.76 1wf0 n LYS 66 Ca -0.16 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 1wf0 n LYS 66 Cb 0.49 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 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 -0.65 2.90 3.88 0.72 0.00 -1.26 -5.06 105.19 105.72 1wf0 n GLY 67 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.78 4.39 -0.20 -0.61 -5.25 -0.50 -5.02 121.20 111.22 1wf0 s ILE 68 Ca 0.00 0.66 -0.04 0.00 -0.99 0.00 0.00 60.65 60.28 1wf0 s ILE 68 Cb 0.00 -3.75 -0.02 0.00 2.95 0.00 0.00 42.46 41.64 1wf0 s ILE 68 CO 0.00 -0.95 -0.03 -0.55 -1.79 0.00 0.00 174.94 171.62 1wf0 s SER 69 N -4.22 4.54 0.25 4.36 0.15 -1.26 -0.24 113.70 117.28 1wf0 s SER 69 Ca 0.55 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.99 1wf0 s SER 69 Cb -0.11 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.39 1wf0 s SER 69 CO 0.52 0.03 0.02 0.68 1.20 0.00 0.00 173.24 175.70 1wf0 s VAL 70 N 1.17 3.63 -0.12 4.45 -7.23 -0.38 -4.84 120.40 117.07 1wf0 s VAL 70 Ca 0.02 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1wf0 s VAL 70 Cb -0.14 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1wf0 s VAL 70 CO 0.00 -0.33 -0.19 -2.28 -0.31 0.00 0.00 175.10 171.99 1wf0 s HIS 71 N -2.19 2.36 -0.09 2.82 2.46 -1.26 -2.77 115.29 116.61 1wf0 s HIS 71 Ca 0.31 -1.14 -0.23 0.00 0.47 0.00 0.00 55.06 54.47 1wf0 s HIS 71 Cb -0.07 -1.63 -0.03 0.00 -0.13 0.00 0.00 32.58 30.71 1wf0 s HIS 71 CO 0.20 -0.54 0.68 0.42 -2.47 0.00 0.00 174.74 173.04 1wf0 s ILE 72 N 0.84 5.05 0.01 0.89 -1.09 -1.24 -3.96 121.20 121.69 1wf0 s ILE 72 Ca -0.08 1.38 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 1wf0 s ILE 72 Cb -0.15 -4.02 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1wf0 s ILE 72 CO -0.01 0.23 -0.02 -0.94 -1.23 0.00 0.00 174.94 172.97 1wf0 s SER 73 N 0.85 0.15 -0.42 3.58 1.04 -1.24 -1.50 113.70 116.16 1wf0 s SER 73 Ca 0.35 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.40 1wf0 s SER 73 Cb -0.17 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1wf0 s SER 73 CO 0.16 -0.15 0.29 0.21 0.98 0.00 0.00 173.24 174.73 1wf0 s ASN 74 N -0.76 5.87 0.02 7.02 2.47 -1.26 -1.09 114.94 127.20 1wf0 s ASN 74 Ca -0.08 -1.23 0.02 0.00 0.42 0.00 0.00 52.86 51.99 1wf0 s ASN 74 Cb -0.05 -2.08 -0.01 0.00 -1.45 0.00 0.00 41.25 37.66 1wf0 s ASN 74 CO -0.00 -0.51 -0.06 0.00 -3.72 0.00 0.00 177.10 172.81 1wf0 s ALA 75 N 1.56 0.43 -0.39 1.71 0.00 -1.26 -5.03 121.76 118.77 1wf0 s ALA 75 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.55 1wf0 s ALA 75 Cb -0.22 -0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.01 1wf0 s ALA 75 CO 0.06 0.03 0.20 -1.21 0.00 0.00 0.00 175.76 174.84 1wf0 s GLU 76 N -0.79 0.99 0.33 0.00 2.02 -1.26 -4.85 118.70 115.13 1wf0 s GLU 76 Ca -0.04 -1.64 -0.28 0.00 0.02 0.00 0.00 54.97 53.02 1wf0 s GLU 76 Cb -0.06 -2.01 -0.10 0.00 0.10 0.00 0.00 34.13 32.07 1wf0 s GLU 76 CO -0.00 -1.14 1.22 -1.25 0.02 0.00 0.00 175.26 174.11 1wf0 s PRO 77 N 0.79 4.39 0.10 0.39 0.04 -1.26 -5.01 135.00 134.45 1wf0 s PRO 77 Ca 0.16 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1wf0 s PRO 77 Cb -0.23 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.21 1wf0 s PRO 77 CO -0.05 -0.09 0.83 0.21 0.04 0.00 0.00 177.00 177.95 1wf0 s LYS 78 N -1.77 4.59 -0.24 4.56 2.20 -1.26 -5.04 119.74 122.78 1wf0 s LYS 78 Ca 0.49 1.22 -0.03 0.00 -0.36 0.00 0.00 55.97 57.29 1wf0 s LYS 78 Cb -0.36 -3.34 0.11 0.00 -1.51 0.00 0.00 37.83 32.73 1wf0 s LYS 78 CO 0.47 0.34 0.23 -1.01 -0.36 0.00 0.00 175.35 175.02 1wf0 s HIS 79 N -0.36 -0.23 0.05 4.03 3.76 -1.26 -5.13 115.29 116.15 1wf0 s HIS 79 Ca 0.40 -0.09 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1wf0 s HIS 79 Cb -0.22 -0.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.93 1wf0 s HIS 79 CO 0.26 -0.73 1.14 -0.80 -0.85 0.00 0.00 174.74 173.76 1wf0 s ASN 80 N 2.30 7.15 0.52 1.40 0.01 -1.26 -4.98 114.94 120.07 1wf0 s ASN 80 Ca 0.08 1.93 -0.21 0.00 -0.71 0.00 0.00 52.86 53.95 1wf0 s ASN 80 Cb -0.15 -2.58 -0.08 0.00 0.41 0.00 0.00 41.25 38.85 1wf0 s ASN 80 CO -0.22 -0.41 0.94 -1.54 -1.51 0.00 0.00 177.10 174.36 1wf0 n SER 81 N 3.90 0.83 -3.62 -1.22 3.41 -1.26 -5.01 113.62 110.64 1wf0 n SER 81 Ca 0.08 0.90 -0.17 0.00 -0.26 0.00 0.00 58.87 59.43 1wf0 n SER 81 Cb 0.47 -1.35 -0.14 0.00 -0.26 0.00 0.00 64.21 62.93 1wf0 n SER 81 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1wf0 s ASN 82 N -1.00 0.85 -0.16 4.04 2.47 -1.26 -5.05 114.94 114.83 1wf0 s ASN 82 Ca 0.69 0.24 -0.13 0.00 0.42 0.00 0.00 52.86 54.07 1wf0 s ASN 82 Cb -0.48 0.39 -0.09 0.00 -1.45 0.00 0.00 41.25 39.62 1wf0 s ASN 82 CO 0.52 -0.27 -0.02 -1.28 -3.72 0.00 0.00 177.10 172.33 1wf0 h SER 83 N 8.34 0.00 -4.99 -4.21 0.87 -2.07 -3.49 113.55 107.99 1wf0 h SER 83 Ca -0.14 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.13 1wf0 h SER 83 Cb 1.13 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.89 1wf0 h SER 83 CO 0.18 1.01 -0.15 -0.83 -0.53 0.00 0.00 176.83 176.50 1wf0 s GLY 84 N -4.44 -0.26 0.09 5.77 0.00 -1.26 -5.14 107.32 102.08 1wf0 s GLY 84 Ca -0.19 0.58 -0.31 0.00 0.00 0.00 0.00 44.72 44.80 1wf0 s GLY 84 CO 0.35 0.33 1.38 2.56 0.00 0.00 0.00 173.10 177.72 1wf0 s PRO 85 N -1.32 4.32 -0.36 2.90 0.04 -1.26 -5.01 135.00 134.32 1wf0 s PRO 85 Ca -0.13 2.04 0.02 0.00 0.04 0.00 0.00 61.00 62.97 1wf0 s PRO 85 Cb -0.04 -3.31 0.11 0.00 0.04 0.00 0.00 34.50 31.30 1wf0 s PRO 85 CO 0.06 -0.45 0.11 -1.54 0.04 0.00 0.00 177.00 175.21 1wf0 s SER 86 N 1.25 4.36 0.00 6.66 1.04 -1.26 -4.78 113.70 120.97 1wf0 s SER 86 Ca 0.64 -2.11 0.00 0.00 0.48 0.00 0.00 55.95 54.96 1wf0 s SER 86 Cb -0.35 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.46 1wf0 s SER 86 CO 0.30 -0.37 0.00 -0.24 0.98 0.00 0.00 173.24 173.91 1wf0 n SER 87 N 4.27 0.00 0.00 7.02 2.88 -1.26 -5.30 113.62 121.23 1wf0 n SER 87 Ca 0.03 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.65 1wf0 n SER 87 Cb 0.40 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.39 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42