#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wpl h PRO 2 N 0.00 0.60 -6.35 0.03 0.13 -1.97 -3.46 132.00 120.98 1wpl h PRO 2 Ca 0.00 -0.71 -0.55 0.00 -0.87 0.00 0.00 66.00 63.87 1wpl h PRO 2 Cb 0.00 0.21 -0.04 0.00 0.13 0.00 0.00 31.00 31.31 1wpl h PRO 2 CO 0.00 1.30 0.03 0.71 -0.23 0.00 0.00 178.00 179.81 1wpl s TYR 3 N -3.17 3.80 0.01 1.56 1.51 -1.26 -0.53 117.35 119.26 1wpl s TYR 3 Ca -0.09 1.36 0.02 0.00 -1.01 0.00 0.00 57.07 57.35 1wpl s TYR 3 Cb 0.07 -2.57 -0.01 0.00 -0.11 0.00 0.00 41.96 39.34 1wpl s TYR 3 CO 0.91 0.53 -0.06 -1.17 -1.11 0.00 0.00 175.55 174.65 1wpl s LEU 4 N -1.29 2.06 -0.12 -1.29 2.96 -0.15 -5.01 118.68 115.84 1wpl s LEU 4 Ca 0.33 -0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1wpl s LEU 4 Cb -0.20 -0.27 0.02 0.00 0.50 0.00 0.00 46.19 46.24 1wpl s LEU 4 CO 0.21 0.02 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.40 1wpl s LEU 5 N -0.42 1.33 0.14 -0.68 1.43 -1.26 -0.61 118.68 118.60 1wpl s LEU 5 Ca -0.00 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1wpl s LEU 5 Cb -0.04 -0.91 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1wpl s LEU 5 CO -0.00 -0.09 -0.16 0.27 0.23 0.00 0.00 176.35 176.60 1wpl s ILE 6 N 1.58 1.54 0.20 -0.59 -4.36 -0.77 -4.40 121.20 114.40 1wpl s ILE 6 Ca 0.03 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 58.47 1wpl s ILE 6 Cb -0.13 -1.69 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 1wpl s ILE 6 CO -0.08 -0.40 0.40 -0.94 0.24 0.00 0.00 174.94 174.17 1wpl s SER 7 N -2.61 -0.07 -0.05 4.36 1.04 -0.38 -0.32 113.70 115.68 1wpl s SER 7 Ca 0.13 -0.83 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 1wpl s SER 7 Cb -0.05 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1wpl s SER 7 CO 0.05 -1.02 0.34 0.28 0.98 0.00 0.00 173.24 173.86 1wpl s THR 8 N -3.97 0.04 0.13 2.02 -1.32 -0.49 0.16 115.64 112.21 1wpl s THR 8 Ca 0.18 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.37 1wpl s THR 8 Cb 0.01 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.37 1wpl s THR 8 CO 0.03 -0.18 0.24 -1.10 -2.21 0.00 0.00 174.62 171.40 1wpl s GLN 9 N -0.89 3.33 0.00 7.08 -0.21 -1.26 -0.30 119.66 127.41 1wpl s GLN 9 Ca -0.10 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.67 1wpl s GLN 9 Cb -0.04 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 31.05 1wpl s GLN 9 CO 0.03 0.53 0.00 -0.89 -2.12 0.00 0.00 175.29 172.85 1wpl n ILE 10 N -0.31 0.00 -5.24 1.08 5.41 0.14 -4.59 119.36 115.86 1wpl n ILE 10 Ca -0.07 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.37 1wpl n ILE 10 Cb 0.53 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.30 1wpl n ILE 10 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1wpl s ARG 11 N 0.00 2.39 0.25 0.38 1.81 -1.26 -4.98 118.95 117.54 1wpl s ARG 11 Ca 0.00 -0.88 0.17 0.00 -1.72 0.00 0.00 55.73 53.30 1wpl s ARG 11 Cb 0.00 -2.08 0.05 0.00 -0.45 0.00 0.00 34.95 32.47 1wpl s ARG 11 CO 0.00 0.40 1.29 0.00 -0.68 0.00 0.00 175.30 176.31 1wpl h MET 12 N 5.96 0.00 -0.44 3.54 -0.00 -1.94 -3.34 114.93 118.71 1wpl h MET 12 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.36 1wpl h MET 12 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.77 1wpl h MET 12 CO 0.47 0.33 0.00 -0.85 -0.00 0.00 0.00 176.91 176.86 1wpl n GLU 13 N -3.08 0.72 -3.58 -0.10 0.00 -1.26 -4.11 120.64 109.24 1wpl n GLU 13 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.02 1wpl n GLU 13 Cb 0.71 -1.22 -0.05 0.00 0.00 0.00 0.00 31.44 30.88 1wpl n GLU 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wpl s VAL 14 N -1.39 0.03 0.00 3.84 0.11 -1.26 -4.89 120.40 116.84 1wpl s VAL 14 Ca 0.00 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.77 1wpl s VAL 14 Cb 0.00 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 1wpl s VAL 14 CO 0.00 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.23 1wpl n GLY 15 N 0.34 -0.23 3.82 6.54 0.00 -1.25 -4.64 105.19 109.76 1wpl n GLY 15 Ca -0.18 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.76 1wpl n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wpl s PRO 16 N -1.76 2.47 -0.15 1.61 0.04 -1.26 -4.97 135.00 130.98 1wpl s PRO 16 Ca 0.00 0.75 0.02 0.00 0.04 0.00 0.00 61.00 61.81 1wpl s PRO 16 Cb 0.00 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1wpl s PRO 16 CO 0.00 -1.38 -0.21 0.99 0.04 0.00 0.00 177.00 176.44 1wpl s THR 17 N -3.13 2.05 0.01 1.26 2.01 0.11 -4.47 115.64 113.49 1wpl s THR 17 Ca 0.59 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1wpl s THR 17 Cb -0.14 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1wpl s THR 17 CO 0.54 0.55 0.99 -0.04 -0.69 0.00 0.00 174.62 175.97 1wpl s MET 18 N 0.94 4.55 0.00 4.92 -1.94 0.12 -1.84 119.30 126.06 1wpl s MET 18 Ca -0.04 1.44 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 1wpl s MET 18 Cb -0.15 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.24 1wpl s MET 18 CO -0.05 -0.06 0.81 1.33 -0.01 0.00 0.00 175.02 177.05 1wpl n VAL 19 N 3.88 0.65 0.00 -6.03 0.24 0.35 -1.24 118.33 116.17 1wpl n VAL 19 Ca 0.06 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.70 1wpl n VAL 19 Cb 0.51 0.69 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1wpl n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wpl n GLY 20 N -0.32 1.48 1.47 7.63 0.00 -1.17 -4.87 105.19 109.41 1wpl n GLY 20 Ca 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.25 1wpl n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wpl n ASP 21 N 0.00 1.22 -0.31 1.61 5.75 -1.26 0.25 116.55 123.80 1wpl n ASP 21 Ca 0.00 -1.65 0.05 0.00 -0.01 0.00 0.00 54.79 53.17 1wpl n ASP 21 Cb 0.00 -0.09 0.19 0.00 -1.03 0.00 0.00 41.12 40.19 1wpl n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1wpl h GLU 22 N 0.00 0.81 -0.93 0.11 5.08 -1.96 -2.13 114.58 115.57 1wpl h GLU 22 Ca -0.12 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.02 1wpl h GLU 22 Cb 0.48 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1wpl h GLU 22 CO 0.18 0.53 0.22 0.72 -1.00 0.00 0.00 179.01 179.66 1wpl n HIS 23 N -4.72 1.42 -2.14 4.33 8.25 -1.26 -4.94 115.22 116.14 1wpl n HIS 23 Ca 0.16 -0.91 -0.32 0.00 -0.26 0.00 0.00 57.72 56.38 1wpl n HIS 23 Cb 0.32 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.91 1wpl n HIS 23 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wpl s SER 24 N -0.26 6.27 -0.24 0.41 0.01 -0.80 -4.94 113.70 114.16 1wpl s SER 24 Ca 0.29 1.59 -0.28 0.00 1.31 0.00 0.00 55.95 58.86 1wpl s SER 24 Cb 0.24 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 1wpl s SER 24 CO 0.07 -0.83 2.24 -0.67 0.41 0.00 0.00 173.24 174.45 1wpl n ASP 25 N -2.05 3.18 -0.34 2.44 -0.08 -1.26 -4.85 116.55 113.59 1wpl n ASP 25 Ca 0.07 0.17 0.08 0.00 -1.51 0.00 0.00 54.79 53.59 1wpl n ASP 25 Cb 0.54 -1.55 0.24 0.00 2.34 0.00 0.00 41.12 42.69 1wpl n ASP 25 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1wpl h PRO 26 N 15.28 0.84 -0.17 -0.67 0.11 -1.95 -0.54 132.00 144.91 1wpl h PRO 26 Ca -0.40 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1wpl h PRO 26 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1wpl h PRO 26 CO 0.97 0.56 0.04 1.49 -0.21 0.00 0.00 178.00 180.85 1wpl h GLU 27 N 0.87 0.27 -0.50 1.05 4.81 -1.99 -1.10 114.58 117.99 1wpl h GLU 27 Ca 0.50 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.67 1wpl h GLU 27 Cb 0.58 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1wpl h GLU 27 CO -0.30 0.42 0.32 1.25 -0.73 0.00 0.00 179.01 179.96 1wpl h LEU 28 N 0.07 0.54 -0.93 1.64 5.85 -1.78 0.11 115.31 120.82 1wpl h LEU 28 Ca 0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.80 1wpl h LEU 28 Cb 0.27 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 1wpl h LEU 28 CO 0.00 0.39 0.60 0.24 -0.34 0.00 0.00 178.44 179.33 1wpl h MET 29 N 0.65 1.13 -0.49 1.25 2.86 -0.98 -1.30 114.93 118.05 1wpl h MET 29 Ca 0.19 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1wpl h MET 29 Cb -0.04 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 1wpl h MET 29 CO -0.06 0.75 -0.13 0.37 1.06 0.00 0.00 176.91 178.90 1wpl h GLN 30 N 1.16 0.95 -0.42 1.72 4.15 -0.38 -1.06 115.11 121.24 1wpl h GLN 30 Ca 0.37 -0.37 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1wpl h GLN 30 Cb 0.01 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1wpl h GLN 30 CO -0.12 1.04 0.28 1.96 -1.93 0.00 0.00 178.83 180.05 1wpl h GLN 31 N 0.81 0.51 0.00 1.69 4.20 0.08 -0.62 115.11 121.78 1wpl h GLN 31 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wpl h GLN 31 Cb 0.69 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1wpl h GLN 31 CO 0.05 0.33 -0.10 1.28 -0.67 0.00 0.00 178.83 179.72 1wpl n LEU 32 N -4.48 0.55 -0.15 1.46 4.77 -0.57 -4.91 117.00 113.66 1wpl n LEU 32 Ca 0.04 0.48 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1wpl n LEU 32 Cb 0.10 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1wpl n LEU 32 CO 0.35 -0.10 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 1wpl n GLY 33 N 1.38 0.39 3.83 -0.72 0.00 -0.24 -4.98 105.19 104.85 1wpl n GLY 33 Ca 0.06 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 1wpl n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wpl s ALA 34 N -2.14 3.50 0.26 4.61 0.00 -0.45 -4.81 121.76 122.73 1wpl s ALA 34 Ca 0.00 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.06 1wpl s ALA 34 Cb -0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.41 1wpl s ALA 34 CO 0.00 0.39 0.16 -1.12 0.00 0.00 0.00 175.76 175.20 1wpl s SER 35 N -1.65 5.30 -0.11 0.00 0.01 -0.58 -4.67 113.70 112.01 1wpl s SER 35 Ca 0.40 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 1wpl s SER 35 Cb -0.16 -1.25 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 1wpl s SER 35 CO 0.20 -0.06 0.02 -0.75 0.41 0.00 0.00 173.24 173.06 1wpl s LYS 36 N -3.82 3.26 0.23 12.44 2.20 -1.26 -1.12 119.74 131.66 1wpl s LYS 36 Ca 0.33 -0.38 -0.13 0.00 -0.36 0.00 0.00 55.97 55.43 1wpl s LYS 36 Cb -0.07 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.34 1wpl s LYS 36 CO 0.24 0.59 0.46 -0.98 -0.36 0.00 0.00 175.35 175.31 1wpl s ARG 37 N -0.57 1.46 -0.34 4.03 1.70 0.08 -4.97 118.95 120.35 1wpl s ARG 37 Ca 0.10 -1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 54.19 1wpl s ARG 37 Cb -0.12 0.47 0.11 0.00 -0.57 0.00 0.00 34.95 34.84 1wpl s ARG 37 CO 0.02 -0.60 0.15 0.50 -1.08 0.00 0.00 175.30 174.29 1wpl s ARG 38 N -3.98 0.69 0.34 3.89 3.52 -1.26 -0.17 118.95 121.98 1wpl s ARG 38 Ca 0.19 -1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 54.32 1wpl s ARG 38 Cb -0.00 -1.79 -0.10 0.00 -1.56 0.00 0.00 34.95 31.50 1wpl s ARG 38 CO 0.05 -1.06 1.36 0.08 -0.81 0.00 0.00 175.30 174.92 1wpl s VAL 39 N 1.39 2.54 -0.00 7.11 1.01 -1.26 -4.90 120.40 126.29 1wpl s VAL 39 Ca 0.12 0.54 -0.35 0.00 0.00 0.00 0.00 61.98 62.29 1wpl s VAL 39 Cb -0.19 -3.35 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 1wpl s VAL 39 CO -0.19 0.13 1.67 -0.11 0.00 0.00 0.00 175.10 176.61 1wpl n LEU 40 N 0.73 2.89 0.00 3.92 0.00 -1.26 -1.28 117.00 122.01 1wpl n LEU 40 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.06 1wpl n LEU 40 Cb 0.41 -1.33 0.00 0.00 0.00 0.00 0.00 43.42 42.50 1wpl n LEU 40 CO 0.60 -0.34 0.00 0.61 0.00 0.00 0.00 177.39 178.26 1wpl n GLY 41 N 3.74 2.35 3.82 -3.96 0.00 -1.26 -5.06 105.19 104.82 1wpl n GLY 41 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1wpl n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wpl s ASN 42 N -0.40 6.71 -0.87 1.61 0.01 -0.40 -4.99 114.94 116.60 1wpl s ASN 42 Ca 0.00 0.85 -0.01 0.00 -0.71 0.00 0.00 52.86 52.99 1wpl s ASN 42 Cb 0.00 -2.22 0.34 0.00 0.41 0.00 0.00 41.25 39.78 1wpl s ASN 42 CO 0.00 0.29 1.86 0.59 -1.51 0.00 0.00 177.10 178.33 1wpl n ASN 43 N 2.16 7.18 -3.58 -1.22 5.03 -1.26 -4.75 115.26 118.82 1wpl n ASN 43 Ca -0.14 -3.78 -0.06 0.00 0.87 0.00 0.00 54.58 51.47 1wpl n ASN 43 Cb 0.53 -1.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.21 1wpl n ASN 43 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1wpl s PHE 44 N -4.11 -0.21 0.31 3.10 -0.12 -1.26 -5.17 117.98 110.53 1wpl s PHE 44 Ca 0.47 0.22 -0.04 0.00 -0.05 0.00 0.00 56.93 57.54 1wpl s PHE 44 Cb 0.35 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 43.20 1wpl s PHE 44 CO -0.30 -0.28 0.56 0.71 -0.05 0.00 0.00 175.22 175.86 1wpl s TYR 45 N -2.10 3.49 0.04 3.49 1.51 -1.26 -4.53 117.35 117.99 1wpl s TYR 45 Ca 0.06 0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 56.67 1wpl s TYR 45 Cb -0.01 -2.06 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1wpl s TYR 45 CO -0.05 0.14 0.03 -1.83 -1.11 0.00 0.00 175.55 172.73 1wpl s GLU 46 N -3.79 0.51 -0.12 -0.62 -1.05 0.76 -3.89 118.70 110.51 1wpl s GLU 46 Ca 0.43 -0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 54.39 1wpl s GLU 46 Cb -0.10 0.19 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 1wpl s GLU 46 CO 0.32 -0.11 -0.01 0.71 0.95 0.00 0.00 175.26 177.13 1wpl s TYR 47 N -2.61 3.12 0.17 4.83 1.51 0.14 -0.74 117.35 123.76 1wpl s TYR 47 Ca -0.05 0.03 -0.05 0.00 -1.01 0.00 0.00 57.07 55.99 1wpl s TYR 47 Cb -0.01 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 1wpl s TYR 47 CO -0.05 0.28 0.19 1.52 -1.11 0.00 0.00 175.55 176.37 1wpl s TYR 48 N -0.36 0.75 0.03 2.71 -0.85 -0.27 -0.49 117.35 118.86 1wpl s TYR 48 Ca 0.07 -1.08 -0.04 0.00 -0.52 0.00 0.00 57.07 55.50 1wpl s TYR 48 Cb -0.12 -0.30 -0.01 0.00 0.38 0.00 0.00 41.96 41.90 1wpl s TYR 48 CO 0.02 -0.66 0.05 0.14 -1.52 0.00 0.00 175.55 173.59 1wpl s VAL 49 N -4.05 0.13 -2.12 -3.49 -7.23 -0.77 -1.52 120.40 101.35 1wpl s VAL 49 Ca 0.26 -1.06 0.28 0.00 -1.81 0.00 0.00 61.98 59.64 1wpl s VAL 49 Cb 0.05 -0.73 0.73 0.00 0.56 0.00 0.00 36.38 37.00 1wpl s VAL 49 CO 0.05 -0.59 1.98 0.59 -0.31 0.00 0.00 175.10 176.82 1wpl n ASN 50 N 1.02 0.43 -4.81 4.85 3.02 -1.26 -0.71 115.26 117.80 1wpl n ASN 50 Ca -0.20 -1.23 -0.34 0.00 -0.03 0.00 0.00 54.58 52.78 1wpl n ASN 50 Cb 0.57 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.67 1wpl n ASN 50 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1wpl s ASP 51 N -1.89 6.87 0.83 6.41 1.01 -1.26 -3.85 116.67 124.79 1wpl s ASP 51 Ca 0.41 1.75 -0.11 0.00 0.71 0.00 0.00 52.55 55.31 1wpl s ASP 51 Cb 0.20 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.67 1wpl s ASP 51 CO 0.33 -0.41 1.09 -2.84 0.21 0.00 0.00 175.17 173.55 1wpl s PRO 52 N -3.09 1.78 0.41 8.23 0.02 -1.26 -3.51 135.00 137.58 1wpl s PRO 52 Ca 0.62 1.08 0.09 0.00 0.02 0.00 0.00 61.00 62.81 1wpl s PRO 52 Cb -0.11 -1.85 0.90 0.00 0.02 0.00 0.00 34.50 33.46 1wpl s PRO 52 CO 0.15 -1.95 2.02 -1.00 -0.33 0.00 0.00 177.00 175.89 1wpl h PRO 53 N -1.35 0.52 -0.37 5.54 0.13 -1.83 -2.84 132.00 131.81 1wpl h PRO 53 Ca -0.46 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 1wpl h PRO 53 Cb 1.25 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1wpl h PRO 53 CO 0.52 0.35 0.14 -0.09 -0.23 0.00 0.00 178.00 178.68 1wpl h ARG 54 N 0.54 0.29 -0.81 0.86 2.43 -1.91 0.22 114.38 116.00 1wpl h ARG 54 Ca 0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1wpl h ARG 54 Cb 0.17 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1wpl h ARG 54 CO -0.06 0.19 0.48 0.82 -1.51 0.00 0.00 179.97 179.90 1wpl h ILE 55 N 0.30 1.23 -0.08 1.20 1.08 -1.88 -1.76 117.51 117.59 1wpl h ILE 55 Ca 0.17 -0.52 -0.09 0.00 -0.39 0.00 0.00 64.86 64.03 1wpl h ILE 55 Cb 0.13 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 33.98 1wpl h ILE 55 CO -0.16 0.24 -0.35 0.58 -0.69 0.00 0.00 178.15 177.77 1wpl h VAL 56 N 1.11 1.27 -0.29 1.67 2.07 -1.08 -1.81 116.25 119.19 1wpl h VAL 56 Ca 0.29 -1.32 -0.11 0.00 0.82 0.00 0.00 66.70 66.38 1wpl h VAL 56 Cb -0.03 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1wpl h VAL 56 CO -0.05 0.39 -0.25 -0.07 0.02 0.00 0.00 177.57 177.61 1wpl h LEU 57 N 0.14 0.72 -0.69 2.57 3.38 -0.04 -1.84 115.31 119.56 1wpl h LEU 57 Ca 0.02 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 1wpl h LEU 57 Cb 0.69 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1wpl h LEU 57 CO 0.05 1.03 0.37 0.44 0.09 0.00 0.00 178.44 180.43 1wpl h ASP 58 N 0.43 0.87 -0.60 -0.43 3.32 -1.10 -1.24 116.42 117.67 1wpl h ASP 58 Ca 0.05 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1wpl h ASP 58 Cb 0.81 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1wpl h ASP 58 CO 0.06 0.72 0.33 0.11 -1.72 0.00 0.00 179.24 178.75 1wpl h LYS 59 N 0.95 0.87 0.00 3.56 1.57 -1.22 -1.97 116.57 120.34 1wpl h LYS 59 Ca 0.24 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1wpl h LYS 59 Cb 0.05 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1wpl h LYS 59 CO -0.04 0.65 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.92 1wpl h LEU 60 N 0.87 0.00 -0.12 2.94 3.38 -0.74 -3.00 115.31 118.64 1wpl h LEU 60 Ca 0.22 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1wpl h LEU 60 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wpl h LEU 60 CO -0.03 0.49 0.02 -0.08 0.09 0.00 0.00 178.44 178.93 1wpl h GLU 61 N 0.00 0.07 -0.48 1.13 4.57 -0.47 0.53 114.58 119.92 1wpl h GLU 61 Ca -0.00 -0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1wpl h GLU 61 Cb 1.07 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.61 1wpl h GLU 61 CO 0.06 0.04 0.32 0.00 -1.18 0.00 0.00 179.01 178.26 1wpl n ARG 63 N -4.48 2.38 -2.35 0.00 3.00 -0.72 -4.90 116.66 109.59 1wpl n ARG 63 Ca 0.06 -1.34 -0.03 0.00 -0.01 0.00 0.00 57.85 56.54 1wpl n ARG 63 Cb 0.23 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1wpl n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wpl n GLY 64 N 0.58 0.51 3.64 -0.13 0.00 0.55 -5.01 105.19 105.33 1wpl n GLY 64 Ca 0.12 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1wpl n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wpl s PHE 65 N -2.59 2.82 -0.00 1.61 0.40 0.10 -2.18 117.98 118.14 1wpl s PHE 65 Ca 0.04 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1wpl s PHE 65 Cb -0.02 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 1wpl s PHE 65 CO 0.05 0.50 -0.09 0.50 0.70 0.00 0.00 175.22 176.88 1wpl s ARG 66 N -2.72 0.71 -0.09 0.44 3.52 -0.34 -4.11 118.95 116.36 1wpl s ARG 66 Ca 0.26 -0.36 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 1wpl s ARG 66 Cb -0.10 -0.68 -0.03 0.00 -1.56 0.00 0.00 34.95 32.58 1wpl s ARG 66 CO 0.17 0.18 1.28 0.08 -0.81 0.00 0.00 175.30 176.21 1wpl s VAL 67 N -0.29 4.14 -0.21 7.11 1.01 -1.26 -0.64 120.40 130.26 1wpl s VAL 67 Ca 0.03 1.44 -0.00 0.00 0.00 0.00 0.00 61.98 63.44 1wpl s VAL 67 Cb -0.04 -3.93 -0.20 0.00 0.00 0.00 0.00 36.38 32.21 1wpl s VAL 67 CO -0.00 -0.06 -0.03 0.18 0.00 0.00 0.00 175.10 175.20 1wpl n LEU 68 N 5.86 2.78 -3.62 3.92 4.32 0.53 -4.94 117.00 125.86 1wpl n LEU 68 Ca 0.13 -0.02 -0.16 0.00 -0.02 0.00 0.00 56.01 55.94 1wpl n LEU 68 Cb 0.45 -0.93 -0.07 0.00 -1.62 0.00 0.00 43.42 41.25 1wpl n LEU 68 CO 0.56 0.90 0.27 -0.55 -1.22 0.00 0.00 177.39 177.35 1wpl s SER 69 N -6.65 -0.46 -0.02 -1.43 0.15 -1.08 -5.01 113.70 99.19 1wpl s SER 69 Ca -0.30 0.42 0.02 0.00 0.70 0.00 0.00 55.95 56.79 1wpl s SER 69 Cb 0.08 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1wpl s SER 69 CO 0.66 -0.56 -0.08 -0.32 1.20 0.00 0.00 173.24 174.14 1wpl s MET 70 N -1.39 0.86 0.15 5.44 1.75 -1.26 -0.11 119.30 124.74 1wpl s MET 70 Ca -0.11 -0.26 -0.06 0.00 -1.25 0.00 0.00 55.69 54.00 1wpl s MET 70 Cb -0.02 -0.81 -0.02 0.00 2.84 0.00 0.00 34.83 36.82 1wpl s MET 70 CO 0.07 0.09 0.20 -0.08 -0.65 0.00 0.00 175.02 174.65 1wpl s THR 71 N 0.24 0.08 -0.09 10.11 -1.32 0.25 -4.99 115.64 119.92 1wpl s THR 71 Ca -0.03 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 58.91 1wpl s THR 71 Cb -0.08 -1.88 -0.02 0.00 -1.51 0.00 0.00 72.50 69.00 1wpl s THR 71 CO 0.00 -0.37 -0.11 -0.83 -2.21 0.00 0.00 174.62 171.10 1wpl s GLY 72 N -2.99 1.59 -0.21 6.08 0.00 -1.26 -0.20 107.32 110.33 1wpl s GLY 72 Ca 0.19 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 1wpl s GLY 72 CO -0.00 -0.52 0.06 0.54 0.00 0.00 0.00 173.10 173.18 1wpl s VAL 73 N -0.34 0.37 0.00 1.40 0.11 0.04 -4.99 120.40 116.98 1wpl s VAL 73 Ca 0.04 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1wpl s VAL 73 Cb -0.13 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1wpl s VAL 73 CO 0.02 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1wpl n GLY 74 N 5.10 1.39 1.08 6.54 0.00 -1.26 -1.70 105.19 116.34 1wpl n GLY 74 Ca -0.08 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.52 1wpl n GLY 74 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1wpl n GLN 75 N 12.67 3.30 -4.24 1.61 1.13 -1.26 -4.94 117.38 125.64 1wpl n GLN 75 Ca 0.00 -2.71 -0.35 0.00 -1.94 0.00 0.00 57.00 52.00 1wpl n GLN 75 Cb 0.00 -1.77 -0.10 0.00 0.11 0.00 0.00 30.24 28.48 1wpl n GLN 75 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1wpl s THR 76 N -2.23 4.41 -0.20 5.09 2.01 -0.69 0.26 115.64 124.29 1wpl s THR 76 Ca 0.41 -0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 1wpl s THR 76 Cb 0.30 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 1wpl s THR 76 CO 0.14 0.53 0.14 -0.22 -0.69 0.00 0.00 174.62 174.52 1wpl s LEU 77 N -0.15 4.20 0.00 4.42 2.96 0.59 -0.78 118.68 129.92 1wpl s LEU 77 Ca 0.05 0.23 0.07 0.00 -0.22 0.00 0.00 54.13 54.26 1wpl s LEU 77 Cb -0.12 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.44 1wpl s LEU 77 CO 0.02 0.16 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.30 1wpl s VAL 78 N 0.47 1.71 -0.08 1.68 1.01 0.73 -1.40 120.40 124.51 1wpl s VAL 78 Ca 0.08 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1wpl s VAL 78 Cb -0.11 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1wpl s VAL 78 CO -0.01 0.40 -0.22 0.26 0.00 0.00 0.00 175.10 175.53 1wpl s TRP 79 N -0.60 2.34 -0.32 5.22 0.51 0.56 -0.59 118.94 126.08 1wpl s TRP 79 Ca 0.08 -0.88 -0.09 0.00 -2.12 0.00 0.00 56.10 53.10 1wpl s TRP 79 Cb -0.08 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 31.01 1wpl s TRP 79 CO 0.00 -0.34 0.14 0.00 -0.51 0.00 0.00 176.95 176.24 1wpl s LEU 81 N 1.56 2.92 0.01 0.00 1.02 0.22 -0.34 118.68 124.07 1wpl s LEU 81 Ca 0.03 -0.48 0.06 0.00 0.02 0.00 0.00 54.13 53.77 1wpl s LEU 81 Cb -0.17 -1.71 -0.02 0.00 0.02 0.00 0.00 46.19 44.31 1wpl s LEU 81 CO 0.05 0.16 -0.20 -2.28 0.02 0.00 0.00 176.35 174.11 1wpl s HIS 82 N -1.28 1.74 -0.79 0.29 2.46 0.19 -0.97 115.29 116.93 1wpl s HIS 82 Ca 0.21 -0.35 -0.26 0.00 0.47 0.00 0.00 55.06 55.14 1wpl s HIS 82 Cb -0.11 -1.08 0.01 0.00 -0.13 0.00 0.00 32.58 31.27 1wpl s HIS 82 CO 0.13 0.02 1.59 0.21 -2.47 0.00 0.00 174.74 174.22 1wpl s LYS 83 N -0.78 3.01 0.00 2.88 2.36 0.31 -1.20 119.74 126.31 1wpl s LYS 83 Ca 0.07 -0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.30 1wpl s LYS 83 Cb -0.08 -4.63 0.00 0.00 -1.05 0.00 0.00 37.83 32.07 1wpl s LYS 83 CO 0.00 -2.53 0.51 0.39 1.55 0.00 0.00 175.35 175.27