#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 0.68 -6.47 0.03 0.13 -1.97 -3.46 132.00 120.94 1wpl h PRO 2 Ca 0.00 -0.69 -0.53 0.00 -0.87 0.00 0.00 66.00 63.91 1wpl h PRO 2 Cb 0.00 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1wpl h PRO 2 CO 0.00 1.28 0.12 0.71 -0.23 0.00 0.00 178.00 179.88 1wpl s TYR 3 N -3.41 3.83 0.01 1.56 1.51 -1.26 -0.97 117.35 118.62 1wpl s TYR 3 Ca -0.10 1.51 0.02 0.00 -1.01 0.00 0.00 57.07 57.48 1wpl s TYR 3 Cb 0.07 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 39.23 1wpl s TYR 3 CO 0.90 0.49 -0.07 -1.17 -1.11 0.00 0.00 175.55 174.59 1wpl s LEU 4 N -1.32 2.08 -0.11 -1.29 2.96 -0.13 -5.02 118.68 115.86 1wpl s LEU 4 Ca 0.36 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1wpl s LEU 4 Cb -0.21 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.20 1wpl s LEU 4 CO 0.24 0.00 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.44 1wpl s LEU 5 N -0.58 1.17 0.19 -0.68 1.43 -1.26 -0.98 118.68 117.97 1wpl s LEU 5 Ca -0.01 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1wpl s LEU 5 Cb -0.05 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1wpl s LEU 5 CO 0.00 -0.12 -0.16 0.27 0.23 0.00 0.00 176.35 176.57 1wpl s ILE 6 N 1.66 1.80 0.20 -0.59 -4.36 -0.74 -4.39 121.20 114.77 1wpl s ILE 6 Ca 0.04 -2.08 -0.14 0.00 -0.26 0.00 0.00 60.65 58.21 1wpl s ILE 6 Cb -0.13 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.64 1wpl s ILE 6 CO -0.07 -0.46 0.44 -0.94 0.24 0.00 0.00 174.94 174.14 1wpl s SER 7 N -3.02 -0.12 -0.01 4.36 1.04 -0.29 -0.37 113.70 115.28 1wpl s SER 7 Ca 0.20 -0.72 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 1wpl s SER 7 Cb -0.03 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1wpl s SER 7 CO 0.07 -1.03 0.27 0.28 0.98 0.00 0.00 173.24 173.81 1wpl s THR 8 N -3.94 0.06 0.09 2.02 -1.32 -0.28 0.24 115.64 112.52 1wpl s THR 8 Ca 0.15 -0.50 0.02 0.00 -1.21 0.00 0.00 61.69 60.15 1wpl s THR 8 Cb 0.00 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.39 1wpl s THR 8 CO 0.01 -0.27 0.17 -1.10 -2.21 0.00 0.00 174.62 171.22 1wpl s GLN 9 N -1.28 3.19 0.00 7.08 -0.21 -1.26 -0.08 119.66 127.10 1wpl s GLN 9 Ca -0.13 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1wpl s GLN 9 Cb -0.06 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.08 1wpl s GLN 9 CO 0.04 0.56 0.00 -0.89 -2.12 0.00 0.00 175.29 172.88 1wpl n ILE 10 N 0.13 0.00 -5.25 1.08 5.41 0.14 -4.58 119.36 116.29 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 0.52 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.29 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 2.51 0.20 0.38 1.81 -1.26 -4.97 118.95 117.62 1wpl s ARG 11 Ca 0.00 -0.90 0.14 0.00 -1.72 0.00 0.00 55.73 53.25 1wpl s ARG 11 Cb 0.00 -2.17 -0.04 0.00 -0.45 0.00 0.00 34.95 32.30 1wpl s ARG 11 CO 0.00 0.41 1.27 0.00 -0.68 0.00 0.00 175.30 176.30 1wpl h MET 12 N 5.97 0.00 -0.37 3.54 -0.00 -1.95 -3.34 114.93 118.79 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 0.55 0.00 -0.85 -0.00 0.00 0.00 176.91 177.09 1wpl n GLU 13 N -3.18 0.65 -3.58 -0.10 0.00 -1.26 -4.10 120.64 109.08 1wpl n GLU 13 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.00 1wpl n GLU 13 Cb 0.80 -1.18 -0.06 0.00 0.00 0.00 0.00 31.44 31.00 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 -1.43 0.02 0.00 3.84 0.11 -1.26 -4.91 120.40 116.78 1wpl s VAL 14 Ca 0.00 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 58.86 1wpl s VAL 14 Cb 0.00 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1wpl s VAL 14 CO 0.00 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1wpl n GLY 15 N 0.62 -0.71 3.82 6.54 0.00 -1.25 -4.67 105.19 109.55 1wpl n GLY 15 Ca -0.19 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.01 2.78 -0.14 1.61 0.04 -1.26 -4.98 135.00 131.03 1wpl s PRO 16 Ca 0.00 0.82 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1wpl s PRO 16 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wpl s PRO 16 CO 0.00 -1.18 -0.19 0.99 0.04 0.00 0.00 177.00 176.66 1wpl s THR 17 N -3.11 2.35 -0.03 1.26 2.01 0.28 -4.47 115.64 113.93 1wpl s THR 17 Ca 0.58 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 61.42 1wpl s THR 17 Cb -0.14 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1wpl s THR 17 CO 0.54 0.53 0.91 -0.04 -0.69 0.00 0.00 174.62 175.88 1wpl s MET 18 N 0.77 4.52 0.00 4.92 -1.94 0.14 -1.66 119.30 126.04 1wpl s MET 18 Ca -0.07 1.27 0.00 0.00 -1.71 0.00 0.00 55.69 55.18 1wpl s MET 18 Cb -0.16 -3.46 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1wpl s MET 18 CO -0.00 -0.04 0.79 1.33 -0.01 0.00 0.00 175.02 177.09 1wpl n VAL 19 N 3.92 0.62 0.00 -6.03 0.24 0.59 -1.14 118.33 116.54 1wpl n VAL 19 Ca 0.04 -0.70 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1wpl n VAL 19 Cb 0.51 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.31 1.28 1.34 7.63 0.00 -1.15 -4.85 105.19 109.12 1wpl n GLY 20 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 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 1.05 -0.33 1.61 5.75 -1.26 -0.25 116.55 123.11 1wpl n ASP 21 Ca 0.00 -1.58 0.05 0.00 -0.01 0.00 0.00 54.79 53.25 1wpl n ASP 21 Cb 0.00 -0.10 0.20 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 0.91 -0.95 0.11 5.08 -1.96 -2.37 114.58 115.41 1wpl h GLU 22 Ca -0.10 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 57.95 1wpl h GLU 22 Cb 0.44 -0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.33 1wpl h GLU 22 CO 0.15 0.60 0.31 0.72 -1.00 0.00 0.00 179.01 179.80 1wpl n HIS 23 N -4.65 1.72 -2.35 4.33 8.25 -1.26 -4.95 115.22 116.31 1wpl n HIS 23 Ca 0.16 -1.13 -0.32 0.00 -0.26 0.00 0.00 57.72 56.17 1wpl n HIS 23 Cb 0.29 -0.60 -0.03 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.39 6.57 -0.32 0.41 0.01 -0.89 -4.94 113.70 114.15 1wpl s SER 24 Ca 0.34 1.54 -0.29 0.00 1.31 0.00 0.00 55.95 58.84 1wpl s SER 24 Cb 0.28 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 1wpl s SER 24 CO 0.07 -0.61 2.27 -0.67 0.41 0.00 0.00 173.24 174.71 1wpl n ASP 25 N -1.71 2.75 -0.29 2.44 -0.08 -1.26 -4.84 116.55 113.56 1wpl n ASP 25 Ca 0.06 0.11 0.11 0.00 -1.51 0.00 0.00 54.79 53.56 1wpl n ASP 25 Cb 0.54 -1.48 0.34 0.00 2.34 0.00 0.00 41.12 42.86 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 0.75 -0.16 -0.67 0.11 -1.95 -0.43 132.00 144.93 1wpl h PRO 26 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.69 1wpl h PRO 26 Cb 1.27 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1wpl h PRO 26 CO 1.02 0.49 -0.04 1.49 -0.21 0.00 0.00 178.00 180.76 1wpl h GLU 27 N 0.77 0.30 -0.91 1.05 4.81 -1.99 -1.43 114.58 117.18 1wpl h GLU 27 Ca 0.46 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1wpl h GLU 27 Cb 0.65 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1wpl h GLU 27 CO -0.22 0.58 0.60 1.25 -0.73 0.00 0.00 179.01 180.49 1wpl h LEU 28 N 0.01 1.05 -0.79 1.64 5.85 -1.76 0.16 115.31 121.47 1wpl h LEU 28 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1wpl h LEU 28 Cb 0.47 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1wpl h LEU 28 CO 0.02 0.77 0.37 0.24 -0.34 0.00 0.00 178.44 179.50 1wpl h MET 29 N 1.24 1.15 -0.52 1.25 2.86 -1.00 -1.73 114.93 118.18 1wpl h MET 29 Ca 0.33 -0.17 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 1wpl h MET 29 Cb -0.14 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.30 1wpl h MET 29 CO -0.07 0.89 -0.14 0.37 1.06 0.00 0.00 176.91 179.02 1wpl h GLN 30 N 1.12 1.02 -0.60 1.72 4.15 -0.27 -1.24 115.11 121.00 1wpl h GLN 30 Ca 0.27 -0.40 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1wpl h GLN 30 Cb 0.13 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1wpl h GLN 30 CO -0.03 1.08 0.40 1.96 -1.93 0.00 0.00 178.83 180.31 1wpl h GLN 31 N 0.88 0.74 0.00 1.69 4.20 -0.25 -0.68 115.11 121.69 1wpl h GLN 31 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1wpl h GLN 31 Cb 0.72 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1wpl h GLN 31 CO 0.05 0.49 0.00 1.28 -0.67 0.00 0.00 178.83 179.99 1wpl n LEU 32 N -4.45 0.73 0.00 1.46 4.77 -0.70 -4.91 117.00 113.91 1wpl n LEU 32 Ca 0.07 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1wpl n LEU 32 Cb 0.08 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1wpl n LEU 32 CO 0.35 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 1wpl n GLY 33 N 1.16 0.39 3.81 -0.72 0.00 -0.26 -4.99 105.19 104.59 1wpl n GLY 33 Ca 0.05 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.00 3.37 0.23 4.61 0.00 -0.52 -4.82 121.76 122.63 1wpl s ALA 34 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1wpl s ALA 34 Cb 0.00 -2.86 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1wpl s ALA 34 CO 0.00 0.31 0.10 -1.12 0.00 0.00 0.00 175.76 175.04 1wpl s SER 35 N -1.73 5.12 -0.11 0.00 0.01 -0.53 -4.69 113.70 111.77 1wpl s SER 35 Ca 0.46 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 57.32 1wpl s SER 35 Cb -0.16 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 1wpl s SER 35 CO 0.21 0.01 0.01 -0.75 0.41 0.00 0.00 173.24 173.12 1wpl s LYS 36 N -3.53 3.19 0.21 12.44 2.20 -1.26 -1.11 119.74 131.89 1wpl s LYS 36 Ca 0.31 -0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 1wpl s LYS 36 Cb -0.08 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1wpl s LYS 36 CO 0.22 0.60 0.50 -0.98 -0.36 0.00 0.00 175.35 175.33 1wpl s ARG 37 N -0.60 1.44 -0.34 4.03 1.70 0.38 -4.96 118.95 120.59 1wpl s ARG 37 Ca 0.10 -1.02 -0.00 0.00 -0.47 0.00 0.00 55.73 54.34 1wpl s ARG 37 Cb -0.12 0.50 0.11 0.00 -0.57 0.00 0.00 34.95 34.87 1wpl s ARG 37 CO 0.02 -0.60 0.14 0.50 -1.08 0.00 0.00 175.30 174.28 1wpl s ARG 38 N -3.93 0.83 0.35 3.89 3.52 -1.26 -0.28 118.95 122.06 1wpl s ARG 38 Ca 0.14 -1.31 -0.28 0.00 -0.13 0.00 0.00 55.73 54.15 1wpl s ARG 38 Cb -0.01 -2.01 -0.10 0.00 -1.56 0.00 0.00 34.95 31.27 1wpl s ARG 38 CO 0.02 -1.05 1.34 0.08 -0.81 0.00 0.00 175.30 174.88 1wpl s VAL 39 N 1.28 2.60 0.04 7.11 1.01 -1.26 -4.91 120.40 126.26 1wpl s VAL 39 Ca 0.12 0.60 -0.35 0.00 0.00 0.00 0.00 61.98 62.35 1wpl s VAL 39 Cb -0.19 -3.38 -0.13 0.00 0.00 0.00 0.00 36.38 32.68 1wpl s VAL 39 CO -0.17 0.14 1.68 -0.11 0.00 0.00 0.00 175.10 176.63 1wpl n LEU 40 N 0.67 3.04 0.00 3.92 0.00 -1.26 -1.40 117.00 121.97 1wpl n LEU 40 Ca 0.01 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.06 1wpl n LEU 40 Cb 0.42 -1.37 0.00 0.00 0.00 0.00 0.00 43.42 42.47 1wpl n LEU 40 CO 0.60 -0.28 0.00 0.61 0.00 0.00 0.00 177.39 178.31 1wpl n GLY 41 N 3.74 1.85 3.84 -3.96 0.00 -1.26 -5.06 105.19 104.33 1wpl n GLY 41 Ca 0.20 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 0.10 6.86 -0.79 1.61 0.01 -0.49 -4.99 114.94 117.24 1wpl s ASN 42 Ca 0.00 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.21 1wpl s ASN 42 Cb 0.00 -2.28 0.35 0.00 0.41 0.00 0.00 41.25 39.73 1wpl s ASN 42 CO 0.00 0.22 1.67 0.59 -1.51 0.00 0.00 177.10 178.07 1wpl n ASN 43 N 1.35 6.59 -3.55 -1.22 5.03 -1.26 -4.77 115.26 117.43 1wpl n ASN 43 Ca -0.10 -3.76 -0.06 0.00 0.87 0.00 0.00 54.58 51.54 1wpl n ASN 43 Cb 0.52 -0.92 -0.02 0.00 -1.02 0.00 0.00 39.78 38.33 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 -3.98 -0.23 0.27 3.10 -0.12 -1.26 -5.17 117.98 110.59 1wpl s PHE 44 Ca 0.47 0.14 0.01 0.00 -0.05 0.00 0.00 56.93 57.50 1wpl s PHE 44 Cb 0.34 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 43.22 1wpl s PHE 44 CO -0.26 -0.36 0.46 0.71 -0.05 0.00 0.00 175.22 175.72 1wpl s TYR 45 N -2.75 3.48 0.03 3.49 1.51 -1.26 -4.55 117.35 117.30 1wpl s TYR 45 Ca 0.07 0.29 -0.06 0.00 -1.01 0.00 0.00 57.07 56.37 1wpl s TYR 45 Cb -0.01 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 1wpl s TYR 45 CO -0.07 0.27 0.10 -1.83 -1.11 0.00 0.00 175.55 172.91 1wpl s GLU 46 N -3.88 0.56 -0.13 -0.62 -1.05 0.61 -3.88 118.70 110.33 1wpl s GLU 46 Ca 0.39 -0.69 -0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1wpl s GLU 46 Cb -0.10 0.22 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 1wpl s GLU 46 CO 0.32 -0.14 -0.02 0.71 0.95 0.00 0.00 175.26 177.08 1wpl s TYR 47 N -2.36 3.07 0.10 4.83 1.51 0.65 -0.47 117.35 124.67 1wpl s TYR 47 Ca -0.07 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1wpl s TYR 47 Cb -0.03 -1.89 -0.02 0.00 -0.11 0.00 0.00 41.96 39.91 1wpl s TYR 47 CO -0.03 0.17 0.10 1.52 -1.11 0.00 0.00 175.55 176.20 1wpl s TYR 48 N -0.15 0.48 0.09 2.71 -0.85 -0.26 -0.30 117.35 119.06 1wpl s TYR 48 Ca 0.04 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.68 1wpl s TYR 48 Cb -0.13 -0.27 -0.04 0.00 0.38 0.00 0.00 41.96 41.91 1wpl s TYR 48 CO 0.02 -0.51 -0.08 0.14 -1.52 0.00 0.00 175.55 173.61 1wpl s VAL 49 N -3.94 0.71 -2.26 -3.49 -7.23 -0.67 -1.45 120.40 102.07 1wpl s VAL 49 Ca 0.12 -1.69 0.26 0.00 -1.81 0.00 0.00 61.98 58.85 1wpl s VAL 49 Cb 0.06 -1.39 0.61 0.00 0.56 0.00 0.00 36.38 36.22 1wpl s VAL 49 CO -0.06 -0.71 1.81 0.59 -0.31 0.00 0.00 175.10 176.42 1wpl n ASN 50 N 0.40 0.99 -4.82 4.85 3.02 -1.26 -0.56 115.26 117.87 1wpl n ASN 50 Ca -0.15 -1.42 -0.33 0.00 -0.03 0.00 0.00 54.58 52.65 1wpl n ASN 50 Cb 0.59 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.84 6.53 0.77 6.41 1.01 -1.26 -3.85 116.67 124.45 1wpl s ASP 51 Ca 0.38 1.69 -0.11 0.00 0.71 0.00 0.00 52.55 55.22 1wpl s ASP 51 Cb 0.19 -2.53 0.06 0.00 1.01 0.00 0.00 42.92 41.65 1wpl s ASP 51 CO 0.31 -0.65 1.08 -2.84 0.21 0.00 0.00 175.17 173.29 1wpl s PRO 52 N -3.71 2.26 0.47 8.23 0.02 -1.26 -3.45 135.00 137.56 1wpl s PRO 52 Ca 0.62 1.05 0.12 0.00 0.02 0.00 0.00 61.00 62.81 1wpl s PRO 52 Cb -0.12 -1.91 1.09 0.00 0.02 0.00 0.00 34.50 33.59 1wpl s PRO 52 CO 0.26 -1.61 2.11 -1.00 -0.33 0.00 0.00 177.00 176.43 1wpl h PRO 53 N -1.10 0.24 -0.32 5.54 0.13 -1.83 -2.80 132.00 131.86 1wpl h PRO 53 Ca -0.45 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 1wpl h PRO 53 Cb 1.24 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1wpl h PRO 53 CO 0.53 0.16 0.13 -0.09 -0.23 0.00 0.00 178.00 178.50 1wpl h ARG 54 N 0.24 0.27 -0.76 0.86 2.43 -1.92 0.15 114.38 115.66 1wpl h ARG 54 Ca 0.07 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1wpl h ARG 54 Cb -0.01 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 1wpl h ARG 54 CO -0.02 0.18 0.49 0.82 -1.51 0.00 0.00 179.97 179.93 1wpl h ILE 55 N 0.28 1.13 -0.08 1.20 1.08 -1.87 -1.76 117.51 117.49 1wpl h ILE 55 Ca 0.14 -0.33 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 1wpl h ILE 55 Cb 0.09 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.91 1wpl h ILE 55 CO -0.12 0.17 -0.34 0.58 -0.69 0.00 0.00 178.15 177.75 1wpl h VAL 56 N 0.96 1.27 -0.31 1.67 2.07 -1.17 -1.65 116.25 119.09 1wpl h VAL 56 Ca 0.30 -1.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.36 1wpl h VAL 56 Cb -0.02 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1wpl h VAL 56 CO -0.10 0.38 -0.47 -0.07 0.02 0.00 0.00 177.57 177.33 1wpl h LEU 57 N 0.13 0.90 -0.56 2.57 3.38 -0.13 -1.76 115.31 119.85 1wpl h LEU 57 Ca 0.02 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.46 1wpl h LEU 57 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1wpl h LEU 57 CO 0.05 1.23 0.06 0.44 0.09 0.00 0.00 178.44 180.31 1wpl h ASP 58 N 0.66 0.92 -0.74 -0.43 3.32 -0.98 -2.04 116.42 117.13 1wpl h ASP 58 Ca 0.04 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 1wpl h ASP 58 Cb 1.05 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 1wpl h ASP 58 CO 0.10 0.96 0.36 0.11 -1.72 0.00 0.00 179.24 179.06 1wpl h LYS 59 N 0.84 1.07 0.00 3.56 1.57 -1.19 -2.01 116.57 120.40 1wpl h LYS 59 Ca 0.17 -0.15 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1wpl h LYS 59 Cb 0.46 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1wpl h LYS 59 CO 0.02 0.82 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.50 1wpl h LEU 60 N 1.06 0.00 -0.22 2.94 3.38 -1.00 -2.73 115.31 118.74 1wpl h LEU 60 Ca 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1wpl h LEU 60 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wpl h LEU 60 CO -0.03 0.14 0.05 -0.08 0.09 0.00 0.00 178.44 178.61 1wpl h GLU 61 N 0.00 0.35 -0.45 1.13 4.57 -0.65 0.17 114.58 119.71 1wpl h GLU 61 Ca -0.00 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.11 1wpl h GLU 61 Cb 0.66 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1wpl h GLU 61 CO 0.02 0.48 0.30 0.00 -1.18 0.00 0.00 179.01 178.62 1wpl n ARG 63 N -4.48 2.74 -2.24 0.00 3.00 -1.01 -4.91 116.66 109.75 1wpl n ARG 63 Ca 0.04 -1.58 -0.03 0.00 -0.01 0.00 0.00 57.85 56.27 1wpl n ARG 63 Cb 0.11 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 30.83 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 0.54 0.40 3.69 -0.13 0.00 0.28 -5.00 105.19 104.97 1wpl n GLY 64 Ca 0.14 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.43 2.92 -0.01 1.61 0.40 0.56 -2.01 117.98 119.02 1wpl s PHE 65 Ca 0.03 -0.10 0.03 0.00 -0.60 0.00 0.00 56.93 56.29 1wpl s PHE 65 Cb -0.01 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1wpl s PHE 65 CO 0.03 0.51 -0.09 0.50 0.70 0.00 0.00 175.22 176.86 1wpl s ARG 66 N -2.81 0.77 -0.05 0.44 3.52 -0.40 -4.18 118.95 116.23 1wpl s ARG 66 Ca 0.27 -0.35 -0.30 0.00 -0.13 0.00 0.00 55.73 55.23 1wpl s ARG 66 Cb -0.10 -0.74 -0.04 0.00 -1.56 0.00 0.00 34.95 32.51 1wpl s ARG 66 CO 0.19 0.20 1.33 0.08 -0.81 0.00 0.00 175.30 176.30 1wpl s VAL 67 N -0.24 3.97 -0.23 7.11 1.01 -1.26 -0.64 120.40 130.12 1wpl s VAL 67 Ca 0.03 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.35 1wpl s VAL 67 Cb -0.04 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.32 1wpl s VAL 67 CO -0.00 -0.03 -0.11 0.18 0.00 0.00 0.00 175.10 175.14 1wpl n LEU 68 N 5.69 2.43 -3.59 3.92 4.32 0.87 -4.94 117.00 125.70 1wpl n LEU 68 Ca 0.13 -0.07 -0.17 0.00 -0.02 0.00 0.00 56.01 55.88 1wpl n LEU 68 Cb 0.45 -0.68 -0.07 0.00 -1.62 0.00 0.00 43.42 41.49 1wpl n LEU 68 CO 0.57 0.85 0.32 -0.55 -1.22 0.00 0.00 177.39 177.37 1wpl s SER 69 N -6.40 -0.53 -0.02 -1.43 0.15 -1.04 -5.01 113.70 99.42 1wpl s SER 69 Ca -0.29 0.56 0.02 0.00 0.70 0.00 0.00 55.95 56.94 1wpl s SER 69 Cb 0.08 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1wpl s SER 69 CO 0.66 -0.56 -0.09 -0.32 1.20 0.00 0.00 173.24 174.13 1wpl s MET 70 N -1.20 0.89 0.14 5.44 1.75 -1.26 -0.14 119.30 124.92 1wpl s MET 70 Ca -0.11 -0.30 -0.08 0.00 -1.25 0.00 0.00 55.69 53.95 1wpl s MET 70 Cb -0.02 -0.84 -0.01 0.00 2.84 0.00 0.00 34.83 36.80 1wpl s MET 70 CO 0.08 0.12 0.23 -0.08 -0.65 0.00 0.00 175.02 174.73 1wpl s THR 71 N 0.12 0.09 -0.09 10.11 -1.32 0.29 -4.99 115.64 119.86 1wpl s THR 71 Ca -0.02 -1.38 0.01 0.00 -1.21 0.00 0.00 61.69 59.09 1wpl s THR 71 Cb -0.07 -1.71 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1wpl s THR 71 CO 0.00 -0.43 -0.09 -0.83 -2.21 0.00 0.00 174.62 171.06 1wpl s GLY 72 N -2.94 1.64 -0.23 6.08 0.00 -1.26 -0.09 107.32 110.51 1wpl s GLY 72 Ca 0.14 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 1wpl s GLY 72 CO -0.03 -0.53 0.09 0.54 0.00 0.00 0.00 173.10 173.16 1wpl s VAL 73 N -0.45 0.26 0.00 1.40 0.11 0.05 -4.99 120.40 116.78 1wpl s VAL 73 Ca 0.06 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1wpl s VAL 73 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1wpl s VAL 73 CO 0.02 -0.45 0.00 0.61 -3.33 0.00 0.00 175.10 171.95 1wpl n GLY 74 N 5.13 1.03 1.25 6.54 0.00 -1.26 -1.97 105.19 115.92 1wpl n GLY 74 Ca -0.06 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 12.46 3.46 -4.17 1.61 1.13 -1.26 -4.94 117.38 125.67 1wpl n GLN 75 Ca 0.00 -2.74 -0.35 0.00 -1.94 0.00 0.00 57.00 51.97 1wpl n GLN 75 Cb 0.00 -1.79 -0.09 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 -1.99 4.71 -0.18 5.09 2.01 -0.83 0.26 115.64 124.70 1wpl s THR 76 Ca 0.44 -0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.28 1wpl s THR 76 Cb 0.30 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1wpl s THR 76 CO 0.18 0.58 0.06 -0.22 -0.69 0.00 0.00 174.62 174.53 1wpl s LEU 77 N -0.62 3.81 -0.03 4.42 2.96 0.89 -0.77 118.68 129.34 1wpl s LEU 77 Ca 0.11 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1wpl s LEU 77 Cb -0.12 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1wpl s LEU 77 CO 0.02 0.18 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.35 1wpl s VAL 78 N 0.36 1.53 -0.09 1.68 1.01 0.87 -1.12 120.40 124.63 1wpl s VAL 78 Ca 0.03 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.24 1wpl s VAL 78 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1wpl s VAL 78 CO 0.00 0.43 -0.20 0.26 0.00 0.00 0.00 175.10 175.59 1wpl s TRP 79 N -0.27 2.62 -0.35 5.22 0.51 0.51 -0.55 118.94 126.62 1wpl s TRP 79 Ca 0.03 -0.78 -0.09 0.00 -2.12 0.00 0.00 56.10 53.14 1wpl s TRP 79 Cb -0.09 -1.72 0.03 0.00 -0.81 0.00 0.00 33.47 30.88 1wpl s TRP 79 CO 0.00 -0.26 0.15 0.00 -0.51 0.00 0.00 176.95 176.34 1wpl s LEU 81 N 1.48 3.33 -0.03 0.00 1.02 -0.15 -0.09 118.68 124.24 1wpl s LEU 81 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 54.13 53.95 1wpl s LEU 81 Cb -0.19 -2.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.94 1wpl s LEU 81 CO 0.05 0.17 -0.17 -2.28 0.02 0.00 0.00 176.35 174.14 1wpl s HIS 82 N -1.31 1.59 -0.70 0.29 2.46 0.19 -0.95 115.29 116.85 1wpl s HIS 82 Ca 0.25 -0.38 -0.26 0.00 0.47 0.00 0.00 55.06 55.14 1wpl s HIS 82 Cb -0.11 -1.05 -0.01 0.00 -0.13 0.00 0.00 32.58 31.27 1wpl s HIS 82 CO 0.17 -0.09 1.77 0.21 -2.47 0.00 0.00 174.74 174.33 1wpl s LYS 83 N -0.17 2.74 0.00 2.88 2.36 -0.14 -1.27 119.74 126.13 1wpl s LYS 83 Ca 0.01 0.25 0.00 0.00 -2.55 0.00 0.00 55.97 53.68 1wpl s LYS 83 Cb -0.09 -4.52 0.00 0.00 -1.05 0.00 0.00 37.83 32.17 1wpl s LYS 83 CO 0.01 -2.74 0.47 0.39 1.55 0.00 0.00 175.35 175.03