#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii n SER 2 N 0.00 -7.13 -3.49 1.61 2.88 -1.26 -5.09 113.62 101.13 1wii n SER 2 Ca 0.00 1.00 -0.09 0.00 -1.33 0.00 0.00 58.87 58.45 1wii n SER 2 Cb 0.00 -3.67 -0.02 0.00 -0.75 0.00 0.00 64.21 59.77 1wii n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wii s SER 3 N -3.13 -0.40 -0.30 -3.46 1.04 -1.26 -5.17 113.70 101.03 1wii s SER 3 Ca 0.00 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 1wii s SER 3 Cb 0.00 0.42 0.19 0.00 0.10 0.00 0.00 66.02 66.73 1wii s SER 3 CO 0.00 -0.67 1.29 -0.83 0.98 0.00 0.00 173.24 174.01 1wii s GLY 4 N -2.50 0.22 0.03 7.32 0.00 -1.26 -5.17 107.32 105.96 1wii s GLY 4 Ca 0.04 3.57 0.08 0.00 0.00 0.00 0.00 44.72 48.41 1wii s GLY 4 CO -0.09 3.55 -0.24 -0.45 0.00 0.00 0.00 173.10 175.86 1wii s SER 5 N 2.28 2.90 0.12 1.64 0.15 -1.26 -5.14 113.70 114.38 1wii s SER 5 Ca -0.02 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.08 1wii s SER 5 Cb -0.02 -0.27 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 1wii s SER 5 CO -0.14 0.24 0.04 -0.44 1.20 0.00 0.00 173.24 174.14 1wii s SER 6 N -1.08 0.41 0.12 5.45 0.01 -1.26 -5.18 113.70 112.17 1wii s SER 6 Ca 0.10 -1.17 -0.01 0.00 1.31 0.00 0.00 55.95 56.18 1wii s SER 6 Cb -0.09 0.27 -0.04 0.00 0.21 0.00 0.00 66.02 66.36 1wii s SER 6 CO 0.01 -0.70 0.04 -0.83 0.41 0.00 0.00 173.24 172.18 1wii s GLY 7 N -3.04 0.91 0.10 3.44 0.00 -1.26 -5.17 107.32 102.30 1wii s GLY 7 Ca 0.22 -1.43 -0.04 0.00 0.00 0.00 0.00 44.72 43.46 1wii s GLY 7 CO 0.00 -1.36 0.10 0.50 0.00 0.00 0.00 173.10 172.34 1wii s ARG 8 N -4.03 0.83 0.23 2.90 0.52 -1.26 -5.17 118.95 112.97 1wii s ARG 8 Ca 0.21 -1.18 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1wii s ARG 8 Cb 0.08 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.79 1wii s ARG 8 CO -0.00 -0.23 0.36 0.15 0.02 0.00 0.00 175.30 175.59 1wii s LYS 9 N -3.94 3.44 0.72 3.54 3.01 -1.26 -5.10 119.74 120.16 1wii s LYS 9 Ca 0.12 -0.69 -0.13 0.00 -1.01 0.00 0.00 55.97 54.25 1wii s LYS 9 Cb 0.06 -2.89 0.03 0.00 -1.01 0.00 0.00 37.83 34.02 1wii s LYS 9 CO -0.06 0.43 1.10 -1.25 0.51 0.00 0.00 175.35 176.07 1wii s PRO 10 N -3.86 2.53 -0.34 -1.68 0.04 -1.26 -4.95 135.00 125.49 1wii s PRO 10 Ca 0.35 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.38 1wii s PRO 10 Cb -0.09 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 1wii s PRO 10 CO 0.29 -1.44 1.69 -1.25 0.04 0.00 0.00 177.00 176.33 1wii s PRO 11 N -4.50 3.43 1.25 0.56 0.04 -1.26 -5.00 135.00 129.52 1wii s PRO 11 Ca 0.64 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.81 1wii s PRO 11 Cb -0.19 -4.14 0.31 0.00 0.04 0.00 0.00 34.50 30.52 1wii s PRO 11 CO 0.49 -1.74 1.11 -1.25 0.04 0.00 0.00 177.00 175.65 1wii s PRO 12 N 5.40 -1.57 0.04 0.56 0.04 -1.26 -5.00 135.00 133.21 1wii s PRO 12 Ca 0.75 -0.19 -0.27 0.00 0.04 0.00 0.00 61.00 61.33 1wii s PRO 12 Cb -0.21 -1.57 -0.05 0.00 0.04 0.00 0.00 34.50 32.72 1wii s PRO 12 CO 0.33 -3.92 0.84 0.15 0.04 0.00 0.00 177.00 174.44 1wii s LYS 13 N -5.50 4.55 -0.60 4.56 3.01 -1.26 -5.02 119.74 119.48 1wii s LYS 13 Ca 0.72 1.20 -0.12 0.00 -1.01 0.00 0.00 55.97 56.75 1wii s LYS 13 Cb -0.08 -3.39 0.15 0.00 -1.01 0.00 0.00 37.83 33.51 1wii s LYS 13 CO 0.56 0.19 0.52 0.21 0.51 0.00 0.00 175.35 177.34 1wii s LYS 14 N 0.20 2.96 -0.08 1.68 2.20 -1.26 -5.01 119.74 120.44 1wii s LYS 14 Ca 0.42 -1.99 -0.31 0.00 -0.36 0.00 0.00 55.97 53.73 1wii s LYS 14 Cb -0.21 -4.18 0.12 0.00 -1.51 0.00 0.00 37.83 32.05 1wii s LYS 14 CO 0.25 -1.27 1.04 0.21 -0.36 0.00 0.00 175.35 175.22 1wii s LYS 15 N 1.01 0.60 1.16 4.03 2.20 -1.26 -5.17 119.74 122.31 1wii s LYS 15 Ca 0.09 -0.23 -0.18 0.00 -0.36 0.00 0.00 55.97 55.30 1wii s LYS 15 Cb -0.23 0.27 0.27 0.00 -1.51 0.00 0.00 37.83 36.63 1wii s LYS 15 CO -0.02 -0.26 1.10 -1.64 -0.36 0.00 0.00 175.35 174.17 1wii s MET 16 N -2.81 -0.87 -0.14 4.03 -1.94 -1.26 -5.01 119.30 111.31 1wii s MET 16 Ca 0.07 0.08 -0.09 0.00 -1.71 0.00 0.00 55.69 54.05 1wii s MET 16 Cb -0.01 -1.62 -0.25 0.00 2.01 0.00 0.00 34.83 34.96 1wii s MET 16 CO -0.07 -3.51 0.32 0.25 -0.01 0.00 0.00 175.02 172.01 1wii n THR 17 N -4.64 1.74 0.00 2.05 -2.24 -1.26 -5.03 114.28 104.90 1wii n THR 17 Ca 0.11 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 1wii n THR 17 Cb 0.59 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 1wii n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wii n GLY 18 N 1.92 1.96 3.78 3.38 0.00 -1.26 -5.02 105.19 109.95 1wii n GLY 18 Ca -0.33 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 1wii n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wii s THR 19 N 0.00 3.78 -1.15 2.61 2.01 -1.26 -4.96 115.64 116.67 1wii s THR 19 Ca 0.00 1.47 -0.18 0.00 0.31 0.00 0.00 61.69 63.29 1wii s THR 19 Cb 0.00 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.80 1wii s THR 19 CO 0.00 0.11 1.49 -0.22 -0.69 0.00 0.00 174.62 175.31 1wii s LEU 20 N -2.27 4.28 0.11 4.42 0.20 -1.26 -4.97 118.68 119.19 1wii s LEU 20 Ca 0.53 -2.30 0.06 0.00 0.69 0.00 0.00 54.13 53.12 1wii s LEU 20 Cb -0.23 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 1wii s LEU 20 CO 0.29 -1.12 -0.04 -1.83 -0.29 0.00 0.00 176.35 173.36 1wii s GLU 21 N 3.45 2.34 -0.14 1.98 -1.05 -1.26 -5.01 118.70 119.01 1wii s GLU 21 Ca 0.46 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 1wii s GLU 21 Cb -0.00 -2.41 0.12 0.00 -0.44 0.00 0.00 34.13 31.40 1wii s GLU 21 CO -0.01 0.51 1.74 0.25 0.95 0.00 0.00 175.26 178.70 1wii n THR 22 N 0.49 2.09 -4.15 1.83 -2.24 -1.26 -4.83 114.28 106.21 1wii n THR 22 Ca -0.12 -0.86 -0.16 0.00 -2.27 0.00 0.00 64.05 60.64 1wii n THR 22 Cb 0.53 -1.23 -0.12 0.00 -2.10 0.00 0.00 70.33 67.41 1wii n THR 22 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1wii s GLN 23 N -0.86 0.78 0.29 -0.78 -0.44 -1.26 -2.56 119.66 114.83 1wii s GLN 23 Ca 0.15 -0.97 -0.17 0.00 -2.50 0.00 0.00 55.36 51.87 1wii s GLN 23 Cb 0.12 -0.66 0.02 0.00 -1.64 0.00 0.00 33.01 30.84 1wii s GLN 23 CO 0.01 0.13 0.64 -0.06 0.50 0.00 0.00 175.29 176.52 1wii s PHE 24 N -1.59 0.09 0.28 1.67 0.40 -1.10 -5.02 117.98 112.72 1wii s PHE 24 Ca -0.01 -0.54 -0.13 0.00 -0.60 0.00 0.00 56.93 55.65 1wii s PHE 24 Cb -0.08 0.53 -0.08 0.00 0.51 0.00 0.00 43.02 43.89 1wii s PHE 24 CO 0.01 -1.21 0.65 0.99 0.70 0.00 0.00 175.22 176.37 1wii s THR 25 N -3.66 4.79 -0.36 0.64 2.01 -1.26 -3.03 115.64 114.76 1wii s THR 25 Ca 0.16 0.74 -0.18 0.00 0.31 0.00 0.00 61.69 62.72 1wii s THR 25 Cb -0.04 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1wii s THR 25 CO 0.09 -0.13 0.50 0.00 -0.69 0.00 0.00 174.62 174.39 1wii n PRO 27 N 5.74 0.48 -0.08 0.00 -0.04 -1.26 0.13 135.00 139.96 1wii n PRO 27 Ca -0.05 0.01 -0.07 0.00 -0.04 0.00 0.00 63.50 63.34 1wii n PRO 27 Cb 0.49 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1wii n PRO 27 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wii n PHE 28 N -1.01 0.65 0.22 0.54 3.01 -1.26 -4.66 117.46 114.95 1wii n PHE 28 Ca 0.12 0.28 0.10 0.00 1.01 0.00 0.00 57.45 58.96 1wii n PHE 28 Cb 0.06 -0.72 -0.15 0.00 -0.01 0.00 0.00 39.48 38.66 1wii n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wii n ASN 30 N -2.06 -7.06 -3.61 0.00 5.03 0.34 -5.03 115.26 102.88 1wii n ASN 30 Ca -0.02 0.09 -0.29 0.00 0.87 0.00 0.00 54.58 55.22 1wii n ASN 30 Cb 0.50 -4.75 -0.13 0.00 -1.02 0.00 0.00 39.78 34.37 1wii n ASN 30 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1wii s HIS 31 N -2.83 1.41 0.33 3.10 3.76 -1.25 -4.93 115.29 114.87 1wii s HIS 31 Ca 0.06 -2.01 -0.25 0.00 -0.15 0.00 0.00 55.06 52.71 1wii s HIS 31 Cb -0.02 -1.46 -0.15 0.00 1.11 0.00 0.00 32.58 32.06 1wii s HIS 31 CO 0.65 -0.81 0.59 -1.91 -0.85 0.00 0.00 174.74 172.42 1wii n GLU 32 N 3.89 0.52 -3.39 1.40 4.07 -1.26 -2.67 120.64 123.20 1wii n GLU 32 Ca 0.09 0.19 -0.19 0.00 -0.06 0.00 0.00 57.16 57.19 1wii n GLU 32 Cb 0.36 -1.38 0.07 0.00 -0.06 0.00 0.00 31.44 30.43 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wii n LYS 33 N 0.82 -3.03 -1.05 5.31 5.02 -1.26 -4.93 118.16 119.05 1wii n LYS 33 Ca 0.13 0.78 -0.03 0.00 -2.02 0.00 0.00 58.31 57.17 1wii n LYS 33 Cb 0.34 -5.51 -0.03 0.00 -0.02 0.00 0.00 35.03 29.80 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1wii n SER 34 N -3.11 -0.28 -3.71 4.39 7.64 -1.09 -5.00 113.62 112.46 1wii n SER 34 Ca -0.13 -1.88 -0.17 0.00 1.01 0.00 0.00 58.87 57.70 1wii n SER 34 Cb 0.63 0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.74 1wii n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wii s ASP 36 N 1.76 3.94 -0.35 0.00 -1.08 -0.97 -2.70 116.67 117.27 1wii s ASP 36 Ca -0.02 -0.33 -0.12 0.00 -0.52 0.00 0.00 52.55 51.56 1wii s ASP 36 Cb -0.12 -1.51 -0.00 0.00 -1.46 0.00 0.00 42.92 39.82 1wii s ASP 36 CO -0.04 0.18 0.23 -0.69 0.52 0.00 0.00 175.17 175.37 1wii s VAL 37 N 0.23 5.03 -0.56 1.11 1.01 -1.06 -2.35 120.40 123.81 1wii s VAL 37 Ca -0.09 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 1wii s VAL 37 Cb -0.16 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.72 1wii s VAL 37 CO 0.05 -0.07 0.51 -0.54 0.00 0.00 0.00 175.10 175.06 1wii s LYS 38 N 1.67 3.01 -0.41 2.72 1.02 0.11 -4.95 119.74 122.92 1wii s LYS 38 Ca 0.05 -1.79 -0.29 0.00 0.02 0.00 0.00 55.97 53.96 1wii s LYS 38 Cb -0.18 -4.28 0.02 0.00 -0.52 0.00 0.00 37.83 32.87 1wii s LYS 38 CO 0.09 -1.32 1.11 -1.64 -0.92 0.00 0.00 175.35 172.68 1wii s MET 39 N 1.43 3.88 -0.47 1.68 -1.94 -1.26 -0.11 119.30 122.50 1wii s MET 39 Ca 0.05 0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 54.70 1wii s MET 39 Cb -0.28 -3.83 0.09 0.00 2.01 0.00 0.00 34.83 32.82 1wii s MET 39 CO 0.01 -1.17 0.37 0.34 -0.01 0.00 0.00 175.02 174.57 1wii s ASP 40 N 2.12 5.97 0.14 3.03 2.15 -1.11 -4.93 116.67 124.03 1wii s ASP 40 Ca 0.47 -1.52 -0.10 0.00 0.43 0.00 0.00 52.55 51.84 1wii s ASP 40 Cb -0.09 -2.12 -0.04 0.00 -0.30 0.00 0.00 42.92 40.37 1wii s ASP 40 CO 0.24 -0.66 1.43 0.03 -0.17 0.00 0.00 175.17 176.04 1wii h ARG 41 N 8.65 0.81 -0.88 4.34 2.47 -1.94 0.14 114.38 127.97 1wii h ARG 41 Ca -0.26 -0.51 0.23 0.00 -1.26 0.00 0.00 59.98 58.17 1wii h ARG 41 Cb 1.10 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 29.34 1wii h ARG 41 CO 0.87 1.14 0.25 0.00 0.56 0.00 0.00 179.97 182.80 1wii h ALA 42 N 0.75 1.29 -0.28 0.04 0.00 -1.96 0.11 119.26 119.21 1wii h ALA 42 Ca 0.01 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1wii h ALA 42 Cb 1.15 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wii h ALA 42 CO 0.12 -0.45 0.00 0.54 0.00 0.00 0.00 179.25 179.45 1wii n ARG 43 N -5.20 2.85 -4.43 0.00 5.12 -1.21 -4.97 116.66 108.82 1wii n ARG 43 Ca 0.21 -2.20 -0.38 0.00 -1.93 0.00 0.00 57.85 53.55 1wii n ARG 43 Cb 0.68 -1.39 -0.08 0.00 -1.16 0.00 0.00 32.46 30.51 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wii n ASN 44 N 0.11 -1.18 -3.76 0.55 4.13 0.37 -4.86 115.26 110.62 1wii n ASN 44 Ca 0.13 -1.22 -0.21 0.00 1.68 0.00 0.00 54.58 54.96 1wii n ASN 44 Cb 0.53 -1.79 -0.17 0.00 -1.54 0.00 0.00 39.78 36.80 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1wii s THR 45 N -3.59 0.23 0.28 3.41 2.01 -0.19 0.30 115.64 118.09 1wii s THR 45 Ca 0.57 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.47 1wii s THR 45 Cb -0.33 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.69 1wii s THR 45 CO 1.00 0.22 0.96 -0.83 -0.69 0.00 0.00 174.62 175.28 1wii s GLY 46 N 1.83 2.97 -0.24 4.40 0.00 0.36 -2.76 107.32 113.88 1wii s GLY 46 Ca 0.02 0.61 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1wii s GLY 46 CO -0.04 1.12 -0.06 0.14 0.00 0.00 0.00 173.10 174.27 1wii s VAL 47 N -1.37 1.59 0.18 1.40 1.01 0.84 -1.25 120.40 122.80 1wii s VAL 47 Ca 0.46 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 61.21 1wii s VAL 47 Cb -0.23 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1wii s VAL 47 CO 0.29 -0.11 0.19 -0.51 0.00 0.00 0.00 175.10 174.96 1wii s ILE 48 N 1.36 4.66 0.22 2.22 2.07 -0.46 0.07 121.20 131.35 1wii s ILE 48 Ca -0.06 -1.08 -0.15 0.00 -1.41 0.00 0.00 60.65 57.95 1wii s ILE 48 Cb -0.19 -3.42 0.01 0.00 0.13 0.00 0.00 42.46 38.99 1wii s ILE 48 CO -0.06 -0.17 0.49 -0.94 -1.91 0.00 0.00 174.94 172.35 1wii s SER 49 N -3.33 -0.16 0.33 4.50 1.04 -0.99 -1.37 113.70 113.73 1wii s SER 49 Ca 0.32 -0.71 0.08 0.00 0.48 0.00 0.00 55.95 56.12 1wii s SER 49 Cb -0.10 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1wii s SER 49 CO 0.25 -1.09 0.14 0.00 0.98 0.00 0.00 173.24 173.51 1wii n THR 51 N -1.14 1.96 0.00 0.00 -2.24 0.17 -4.37 114.28 108.65 1wii n THR 51 Ca -0.03 -3.83 0.00 0.00 -2.27 0.00 0.00 64.05 57.91 1wii n THR 51 Cb 0.61 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1wii n THR 51 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1wii n VAL 52 N -0.56 0.00 0.64 2.28 0.31 -1.26 -4.92 118.33 114.81 1wii n VAL 52 Ca 0.28 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.68 1wii n VAL 52 Cb 0.85 -0.01 -0.08 0.00 -0.91 0.00 0.00 33.84 33.69 1wii n VAL 52 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wii n LEU 54 N -1.36 -4.19 -4.64 0.00 4.77 -1.26 -5.06 117.00 105.25 1wii n LEU 54 Ca 0.02 -0.39 -0.23 0.00 -0.03 0.00 0.00 56.01 55.38 1wii n LEU 54 Cb 0.23 -2.12 -0.07 0.00 -2.33 0.00 0.00 43.42 39.13 1wii n LEU 54 CO 0.29 0.01 -0.33 -1.61 -1.33 0.00 0.00 177.39 174.42 1wii s GLU 55 N -3.77 2.29 -0.19 3.23 0.41 -1.26 -4.94 118.70 114.48 1wii s GLU 55 Ca 0.25 -1.42 -0.20 0.00 -0.41 0.00 0.00 54.97 53.19 1wii s GLU 55 Cb -0.03 -2.16 0.05 0.00 -1.78 0.00 0.00 34.13 30.21 1wii s GLU 55 CO 0.44 0.36 0.55 -2.00 -0.49 0.00 0.00 175.26 174.12 1wii s GLU 56 N -3.67 0.67 -0.04 1.61 2.12 -1.26 -1.11 118.70 117.02 1wii s GLU 56 Ca 0.31 0.68 -0.13 0.00 0.36 0.00 0.00 54.97 56.20 1wii s GLU 56 Cb -0.06 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.68 1wii s GLU 56 CO 0.20 -0.10 0.29 0.12 -0.54 0.00 0.00 175.26 175.23 1wii s PHE 57 N 0.11 -0.20 0.24 5.30 5.36 -0.47 -5.00 117.98 123.32 1wii s PHE 57 Ca -0.01 0.39 0.10 0.00 -0.96 0.00 0.00 56.93 56.44 1wii s PHE 57 Cb -0.04 0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.69 1wii s PHE 57 CO 0.02 -0.31 -0.06 -0.65 -1.46 0.00 0.00 175.22 172.76 1wii s GLN 58 N -0.88 2.15 -0.26 10.12 -0.21 -1.26 -1.35 119.66 127.96 1wii s GLN 58 Ca -0.10 -1.42 -0.25 0.00 0.02 0.00 0.00 55.36 53.61 1wii s GLN 58 Cb -0.05 -2.11 0.10 0.00 1.00 0.00 0.00 33.01 31.95 1wii s GLN 58 CO 0.03 0.38 0.88 -0.08 -2.12 0.00 0.00 175.29 174.38 1wii s THR 59 N -2.18 0.00 -0.05 -0.19 -1.32 -0.38 -4.99 115.64 106.53 1wii s THR 59 Ca 0.29 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 1wii s THR 59 Cb -0.07 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.87 1wii s THR 59 CO 0.18 0.00 1.49 -2.16 -2.21 0.00 0.00 174.62 171.92 1wii s PRO 60 N 0.19 4.23 0.39 7.08 0.04 -1.26 0.13 135.00 145.80 1wii s PRO 60 Ca 0.01 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.08 1wii s PRO 60 Cb -0.05 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 1wii s PRO 60 CO -0.02 -0.72 0.06 0.44 0.04 0.00 0.00 177.00 176.80 1wii n ILE 61 N 5.13 0.00 -4.22 0.56 -6.64 0.15 -4.80 119.36 109.53 1wii n ILE 61 Ca 0.15 -2.01 -0.18 0.00 -1.77 0.00 0.00 62.75 58.94 1wii n ILE 61 Cb 0.43 0.55 -0.06 0.00 -1.44 0.00 0.00 39.64 39.12 1wii n ILE 61 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1wii s THR 62 N -2.68 0.00 0.36 7.28 -4.23 -1.26 -4.38 115.64 110.72 1wii s THR 62 Ca 0.08 -1.85 0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1wii s THR 62 Cb 0.00 -2.57 0.11 0.00 1.34 0.00 0.00 72.50 71.38 1wii s THR 62 CO 0.06 0.00 1.83 0.10 -0.54 0.00 0.00 174.62 176.07 1wii h TYR 63 N 2.09 0.21 0.07 3.99 -0.00 -1.97 -2.81 116.97 118.55 1wii h TYR 63 Ca -0.26 -0.04 -0.25 0.00 0.00 0.00 0.00 58.73 58.19 1wii h TYR 63 Cb 1.23 -0.05 -0.01 0.00 0.00 0.00 0.00 36.73 37.90 1wii h TYR 63 CO 1.76 0.45 -1.17 -0.07 -0.00 0.00 0.00 178.16 179.13 1wii h LEU 64 N 0.17 0.23 -9.20 0.10 3.38 -2.05 -3.47 115.31 104.47 1wii h LEU 64 Ca 0.03 -0.25 -0.43 0.00 0.09 0.00 0.00 57.88 57.32 1wii h LEU 64 Cb 0.57 -0.07 0.23 0.00 0.09 0.00 0.00 40.66 41.47 1wii h LEU 64 CO 0.04 1.20 -1.78 -1.20 0.09 0.00 0.00 178.44 176.78 1wii n SER 65 N -3.43 -2.71 -4.18 -0.43 7.64 -1.06 -5.03 113.62 104.42 1wii n SER 65 Ca -0.06 -0.08 -0.11 0.00 1.01 0.00 0.00 58.87 59.63 1wii n SER 65 Cb 0.99 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 63.40 1wii n SER 65 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wii s GLU 66 N -2.65 0.87 0.00 1.43 2.02 -1.26 -4.92 118.70 114.19 1wii s GLU 66 Ca 0.41 -1.36 0.15 0.00 0.02 0.00 0.00 54.97 54.20 1wii s GLU 66 Cb 0.01 -0.24 0.83 0.00 0.10 0.00 0.00 34.13 34.82 1wii s GLU 66 CO 0.60 -0.02 1.39 -0.35 0.02 0.00 0.00 175.26 176.90 1wii n PRO 67 N -0.07 0.32 -0.06 0.39 -0.04 -1.26 -2.36 135.00 131.93 1wii n PRO 67 Ca -0.12 0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.34 1wii n PRO 67 Cb 0.61 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 1wii n PRO 67 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wii n VAL 68 N -1.17 1.49 -0.13 0.52 3.14 -1.26 -4.32 118.33 116.60 1wii n VAL 68 Ca 0.09 -0.83 -0.11 0.00 -2.96 0.00 0.00 64.34 60.53 1wii n VAL 68 Cb 0.09 -0.74 -0.02 0.00 -1.06 0.00 0.00 33.84 32.11 1wii n VAL 68 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 1wii h ASP 69 N 0.00 0.70 -0.99 6.55 3.58 -1.89 -3.01 116.42 121.36 1wii h ASP 69 Ca -0.42 -0.35 0.22 0.00 0.42 0.00 0.00 57.03 56.91 1wii h ASP 69 Cb 2.13 -0.19 -0.12 0.00 1.72 0.00 0.00 39.33 42.87 1wii h ASP 69 CO 0.05 0.88 0.58 0.58 -2.88 0.00 0.00 179.24 178.46 1wii h VAL 70 N 0.51 0.59 0.27 2.25 2.07 -1.75 -1.04 116.25 119.14 1wii h VAL 70 Ca 0.10 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1wii h VAL 70 Cb 0.56 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1wii h VAL 70 CO 0.03 0.11 -0.20 0.22 0.02 0.00 0.00 177.57 177.75 1wii h TYR 71 N 0.63 -0.53 -0.17 1.57 3.20 -1.72 -1.71 116.97 118.23 1wii h TYR 71 Ca 0.61 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.53 1wii h TYR 71 Cb 1.10 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.51 1wii h TYR 71 CO -0.02 -0.31 -0.18 0.77 -1.64 0.00 0.00 178.16 176.79 1wii h SER 72 N -0.47 -0.56 -0.80 -2.11 0.02 -1.25 -1.63 113.55 106.74 1wii h SER 72 Ca -0.02 0.11 0.14 0.00 -0.84 0.00 0.00 61.79 61.18 1wii h SER 72 Cb 0.41 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 63.13 1wii h SER 72 CO -0.01 -0.22 0.38 0.44 -1.14 0.00 0.00 176.83 176.28 1wii h ASP 73 N -0.20 0.42 -0.67 3.07 3.32 -1.23 0.12 116.42 121.24 1wii h ASP 73 Ca 0.11 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.37 1wii h ASP 73 Cb 0.37 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1wii h ASP 73 CO -0.29 0.17 0.45 -0.25 -1.72 0.00 0.00 179.24 177.59 1wii h TRP 74 N 0.54 0.52 0.61 4.55 7.01 -0.35 -1.28 115.95 127.56 1wii h TRP 74 Ca 0.44 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.42 1wii h TRP 74 Cb 0.64 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1wii h TRP 74 CO -0.12 0.24 -0.29 0.82 -2.79 0.00 0.00 178.44 176.29 1wii h ILE 75 N 0.48 0.00 0.00 2.65 1.08 -0.45 -2.16 117.51 119.12 1wii h ILE 75 Ca 0.32 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1wii h ILE 75 Cb 0.58 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1wii h ILE 75 CO -0.10 0.00 0.17 0.44 -0.69 0.00 0.00 178.15 177.98 1wii h ASP 76 N -0.98 0.00 1.53 1.72 5.19 -1.32 0.34 116.42 122.91 1wii h ASP 76 Ca -0.08 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.24 1wii h ASP 76 Cb 0.63 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.13 1wii h ASP 76 CO 0.14 0.00 -0.48 0.00 -3.12 0.00 0.00 179.24 175.78 1wii h ALA 77 N 1.65 0.73 0.00 3.45 0.00 -0.97 -3.24 119.26 120.87 1wii h ALA 77 Ca 0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.38 1wii h ALA 77 Cb 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wii h ALA 77 CO 0.00 0.50 -1.21 0.00 0.00 0.00 0.00 179.25 178.54 1wii h GLU 79 N -1.00 0.00 -6.48 0.00 4.11 -1.26 -3.40 114.58 106.55 1wii h GLU 79 Ca -0.23 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.67 1wii h GLU 79 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 1wii h GLU 79 CO -0.14 0.00 0.34 0.45 0.07 0.00 0.00 179.01 179.73 1wii s SER 80 N -3.71 7.42 0.00 3.06 0.15 -1.22 -5.02 113.70 114.37 1wii s SER 80 Ca -0.02 1.71 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1wii s SER 80 Cb 0.05 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wii s SER 80 CO 0.16 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.08 1wii n GLY 81 N 2.51 -1.86 3.61 9.45 0.00 -1.26 -4.85 105.19 112.79 1wii n GLY 81 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1wii n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wii s PRO 82 N 0.00 -0.98 0.07 1.61 0.04 -1.26 -5.06 135.00 129.42 1wii s PRO 82 Ca 0.00 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.09 1wii s PRO 82 Cb 0.00 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1wii s PRO 82 CO 0.00 -3.57 0.03 -1.12 0.04 0.00 0.00 177.00 172.38 1wii s SER 83 N -3.82 5.23 -0.16 6.66 0.01 -1.26 -5.05 113.70 115.31 1wii s SER 83 Ca 0.70 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.76 1wii s SER 83 Cb -0.11 -1.33 -0.07 0.00 0.21 0.00 0.00 66.02 64.72 1wii s SER 83 CO 0.56 0.19 -0.09 -0.24 0.41 0.00 0.00 173.24 174.08 1wii n SER 84 N 0.69 1.82 0.00 2.44 2.88 -1.26 -5.27 113.62 114.92 1wii n SER 84 Ca -0.11 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1wii n SER 84 Cb 0.52 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42