#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wii s SER 2 N 0.00 1.92 0.23 1.61 0.01 -1.26 -5.16 113.70 111.05 1wii s SER 2 Ca 0.00 -1.63 -0.02 0.00 1.31 0.00 0.00 55.95 55.61 1wii s SER 2 Cb 0.00 0.45 -0.05 0.00 0.21 0.00 0.00 66.02 66.63 1wii s SER 2 CO 0.00 -0.93 0.45 -0.44 0.41 0.00 0.00 173.24 172.72 1wii s SER 3 N -3.44 6.41 0.10 2.44 0.01 -1.26 -5.09 113.70 112.87 1wii s SER 3 Ca 0.33 0.51 -0.13 0.00 1.31 0.00 0.00 55.95 57.98 1wii s SER 3 Cb 0.04 -2.06 -0.06 0.00 0.21 0.00 0.00 66.02 64.15 1wii s SER 3 CO 0.19 -0.09 0.48 -0.83 0.41 0.00 0.00 173.24 173.39 1wii s GLY 4 N -3.14 2.43 0.22 3.44 0.00 -1.26 -5.10 107.32 103.91 1wii s GLY 4 Ca 0.40 -0.23 0.10 0.00 0.00 0.00 0.00 44.72 44.99 1wii s GLY 4 CO 0.29 0.04 -0.19 -0.56 0.00 0.00 0.00 173.10 172.69 1wii s SER 5 N -1.63 3.08 -0.15 1.64 0.01 -1.26 -5.14 113.70 110.25 1wii s SER 5 Ca 0.34 -0.96 -0.03 0.00 1.31 0.00 0.00 55.95 56.61 1wii s SER 5 Cb -0.15 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1wii s SER 5 CO 0.18 -0.02 -0.06 -0.55 0.41 0.00 0.00 173.24 173.20 1wii s SER 6 N -3.13 4.62 0.43 2.44 0.15 -1.26 -5.12 113.70 111.84 1wii s SER 6 Ca 0.23 -0.17 0.08 0.00 0.70 0.00 0.00 55.95 56.79 1wii s SER 6 Cb -0.04 -1.73 0.01 0.00 -1.71 0.00 0.00 66.02 62.54 1wii s SER 6 CO 0.10 0.17 0.53 -0.83 1.20 0.00 0.00 173.24 174.41 1wii s GLY 7 N 0.32 2.00 0.23 9.45 0.00 -1.26 -5.12 107.32 112.93 1wii s GLY 7 Ca -0.05 -1.75 0.02 0.00 0.00 0.00 0.00 44.72 42.94 1wii s GLY 7 CO 0.04 -1.56 0.39 0.50 0.00 0.00 0.00 173.10 172.46 1wii s ARG 8 N -4.31 3.47 -0.06 2.90 1.81 -1.26 -5.11 118.95 116.40 1wii s ARG 8 Ca 0.53 -0.52 -0.02 0.00 -1.72 0.00 0.00 55.73 54.00 1wii s ARG 8 Cb -0.08 -2.85 0.04 0.00 -0.45 0.00 0.00 34.95 31.61 1wii s ARG 8 CO 0.32 0.39 0.11 0.15 -0.68 0.00 0.00 175.30 175.58 1wii s LYS 9 N -3.70 -0.01 -0.06 3.54 1.02 -1.26 -5.13 119.74 114.14 1wii s LYS 9 Ca 0.37 0.43 -0.30 0.00 0.02 0.00 0.00 55.97 56.49 1wii s LYS 9 Cb -0.10 -0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1wii s LYS 9 CO 0.30 -0.28 1.50 -1.25 -0.92 0.00 0.00 175.35 174.69 1wii s PRO 10 N 1.97 4.22 0.51 -1.68 0.04 -1.26 -5.00 135.00 133.81 1wii s PRO 10 Ca 0.01 2.02 -0.21 0.00 0.04 0.00 0.00 61.00 62.86 1wii s PRO 10 Cb -0.12 -3.80 -0.06 0.00 0.04 0.00 0.00 34.50 30.56 1wii s PRO 10 CO -0.04 -0.73 1.14 -1.25 0.04 0.00 0.00 177.00 176.16 1wii s PRO 11 N 3.37 3.49 0.68 0.56 0.04 -1.26 -5.05 135.00 136.83 1wii s PRO 11 Ca 0.67 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 63.26 1wii s PRO 11 Cb -0.31 -2.14 0.17 0.00 0.04 0.00 0.00 34.50 32.26 1wii s PRO 11 CO 0.26 -0.75 0.60 -0.35 0.04 0.00 0.00 177.00 176.80 1wii n PRO 12 N -1.02 -2.19 -3.72 0.56 -0.04 -1.26 -5.09 135.00 122.23 1wii n PRO 12 Ca 0.10 -0.96 0.04 0.00 -0.04 0.00 0.00 63.50 62.64 1wii n PRO 12 Cb 0.50 -0.90 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 1wii n PRO 12 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1wii s LYS 13 N -4.36 0.01 -0.08 0.54 2.20 -1.26 -5.16 119.74 111.64 1wii s LYS 13 Ca 0.39 -0.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1wii s LYS 13 Cb -0.04 0.00 0.02 0.00 -1.51 0.00 0.00 37.83 36.31 1wii s LYS 13 CO 0.30 -0.01 -0.06 0.21 -0.36 0.00 0.00 175.35 175.43 1wii s LYS 14 N -2.01 1.21 -0.30 4.03 2.47 -1.26 -5.11 119.74 118.78 1wii s LYS 14 Ca 0.21 -0.19 -0.10 0.00 -1.56 0.00 0.00 55.97 54.34 1wii s LYS 14 Cb 0.05 -1.23 0.17 0.00 -1.46 0.00 0.00 37.83 35.37 1wii s LYS 14 CO -0.06 -0.15 0.86 0.21 0.16 0.00 0.00 175.35 176.37 1wii s LYS 15 N 1.29 0.37 -0.29 4.03 2.36 -1.26 -5.16 119.74 121.07 1wii s LYS 15 Ca -0.04 0.75 -0.25 0.00 -2.55 0.00 0.00 55.97 53.88 1wii s LYS 15 Cb -0.14 0.43 0.16 0.00 -1.05 0.00 0.00 37.83 37.23 1wii s LYS 15 CO -0.03 -0.30 1.25 1.41 1.55 0.00 0.00 175.35 179.23 1wii s MET 16 N 2.79 0.27 -0.36 4.03 1.75 -1.26 -5.14 119.30 121.39 1wii s MET 16 Ca 0.05 0.32 -0.06 0.00 -1.25 0.00 0.00 55.69 54.75 1wii s MET 16 Cb -0.11 0.13 0.06 0.00 2.84 0.00 0.00 34.83 37.75 1wii s MET 16 CO -0.16 -0.03 0.14 0.95 -0.65 0.00 0.00 175.02 175.27 1wii s THR 17 N 0.11 3.79 -0.23 10.11 -4.23 -1.26 -5.07 115.64 118.87 1wii s THR 17 Ca 0.05 -1.30 -0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1wii s THR 17 Cb -0.05 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1wii s THR 17 CO -0.11 -0.30 -0.10 -0.83 -0.54 0.00 0.00 174.62 172.74 1wii s GLY 18 N 1.60 1.57 0.00 3.99 0.00 -1.26 -4.89 107.32 108.33 1wii s GLY 18 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1wii s GLY 18 CO 0.02 0.47 0.33 -0.37 0.00 0.00 0.00 173.10 173.55 1wii n THR 19 N 4.62 0.00 -2.33 0.90 5.66 -1.26 -5.07 114.28 116.80 1wii n THR 19 Ca -0.17 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.78 1wii n THR 19 Cb 0.47 0.86 0.01 0.00 -1.55 0.00 0.00 70.33 70.12 1wii n THR 19 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1wii n LEU 20 N 0.00 -5.67 -4.85 1.09 4.77 -1.26 -5.02 117.00 106.07 1wii n LEU 20 Ca 0.00 0.33 -0.32 0.00 -0.03 0.00 0.00 56.01 56.00 1wii n LEU 20 Cb 0.47 -2.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.07 1wii n LEU 20 CO 0.00 -1.46 0.70 -1.83 -1.33 0.00 0.00 177.39 173.47 1wii s GLU 21 N -1.98 3.68 -0.55 3.23 -1.05 -1.26 -4.97 118.70 115.80 1wii s GLU 21 Ca 0.15 0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 55.85 1wii s GLU 21 Cb -0.04 -2.09 0.36 0.00 -0.44 0.00 0.00 34.13 31.91 1wii s GLU 21 CO 0.47 -0.50 2.05 0.25 0.95 0.00 0.00 175.26 178.49 1wii n THR 22 N -2.18 3.34 -4.02 1.83 -2.24 -1.26 -4.83 114.28 104.92 1wii n THR 22 Ca 0.07 -2.56 -0.09 0.00 -2.27 0.00 0.00 64.05 59.20 1wii n THR 22 Cb 0.54 -1.23 -0.11 0.00 -2.10 0.00 0.00 70.33 67.43 1wii n THR 22 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1wii s GLN 23 N -3.11 0.43 0.28 -0.78 -0.21 -1.26 -3.26 119.66 111.75 1wii s GLN 23 Ca 0.53 -0.81 -0.16 0.00 0.02 0.00 0.00 55.36 54.94 1wii s GLN 23 Cb 0.41 0.07 0.01 0.00 1.00 0.00 0.00 33.01 34.51 1wii s GLN 23 CO -0.03 -0.05 0.61 -0.06 -2.12 0.00 0.00 175.29 173.64 1wii s PHE 24 N -2.13 0.13 -0.05 0.91 0.40 -1.25 -5.00 117.98 110.98 1wii s PHE 24 Ca -0.09 -0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 55.41 1wii s PHE 24 Cb -0.05 0.46 -0.02 0.00 0.51 0.00 0.00 43.02 43.92 1wii s PHE 24 CO -0.03 -1.16 0.93 0.99 0.70 0.00 0.00 175.22 176.66 1wii s THR 25 N -3.80 4.87 -0.22 0.64 2.01 -1.26 -2.58 115.64 115.30 1wii s THR 25 Ca 0.17 1.93 -0.28 0.00 0.31 0.00 0.00 61.69 63.82 1wii s THR 25 Cb -0.03 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.22 1wii s THR 25 CO 0.09 0.12 1.00 0.00 -0.69 0.00 0.00 174.62 175.14 1wii h PRO 27 N 7.46 0.00 0.25 0.00 0.13 -1.97 1.43 132.00 139.29 1wii h PRO 27 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1wii h PRO 27 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1wii h PRO 27 CO 0.95 0.30 -0.12 0.74 -0.23 0.00 0.00 178.00 179.64 1wii h PHE 28 N 0.00 -0.31 0.00 1.56 -1.00 -2.00 -3.41 116.94 111.79 1wii h PHE 28 Ca -0.00 -0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.66 1wii h PHE 28 Cb 0.72 0.10 -0.02 0.00 3.61 0.00 0.00 35.95 40.36 1wii h PHE 28 CO 0.00 -0.02 -1.38 0.00 -1.61 0.00 0.00 178.31 175.30 1wii n ASN 30 N -2.98 -3.74 -0.94 0.00 4.13 0.49 -4.99 115.26 107.22 1wii n ASN 30 Ca -0.12 0.60 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1wii n ASN 30 Cb 0.61 -2.82 0.16 0.00 -1.54 0.00 0.00 39.78 36.19 1wii n ASN 30 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1wii n HIS 31 N 0.40 0.54 -3.06 3.10 8.25 -1.26 -4.94 115.22 118.25 1wii n HIS 31 Ca -0.04 -1.60 -0.17 0.00 -0.26 0.00 0.00 57.72 55.65 1wii n HIS 31 Cb 0.07 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 30.93 1wii n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1wii n GLU 32 N -0.96 -2.25 -2.47 -0.41 2.13 -1.26 -4.52 120.64 110.89 1wii n GLU 32 Ca 0.23 1.91 -0.00 0.00 0.66 0.00 0.00 57.16 59.96 1wii n GLU 32 Cb 0.77 -4.44 -0.00 0.00 0.27 0.00 0.00 31.44 28.04 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wii n LYS 33 N -0.18 -2.88 -2.71 5.31 5.02 -1.25 -4.99 118.16 116.47 1wii n LYS 33 Ca 0.05 2.39 -0.03 0.00 -2.02 0.00 0.00 58.31 58.69 1wii n LYS 33 Cb 0.51 -4.53 0.10 0.00 -0.02 0.00 0.00 35.03 31.09 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 0.61 -0.56 -3.92 4.39 7.64 -1.06 -4.92 113.62 115.80 1wii n SER 34 Ca -0.02 -2.27 -0.10 0.00 1.01 0.00 0.00 58.87 57.49 1wii n SER 34 Cb 0.03 0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.54 2.70 -0.25 0.00 2.15 -0.66 -3.91 116.67 115.16 1wii s ASP 36 Ca -0.13 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.28 1wii s ASP 36 Cb -0.07 -1.00 -0.04 0.00 -0.30 0.00 0.00 42.92 41.50 1wii s ASP 36 CO -0.00 0.16 0.14 -0.69 -0.17 0.00 0.00 175.17 174.61 1wii s VAL 37 N 0.19 5.00 -0.48 1.11 1.01 -1.20 -2.05 120.40 123.97 1wii s VAL 37 Ca -0.11 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 1wii s VAL 37 Cb -0.15 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 32.97 1wii s VAL 37 CO 0.05 0.31 0.41 -0.54 0.00 0.00 0.00 175.10 175.34 1wii s LYS 38 N 1.43 2.94 -0.66 2.72 1.02 0.75 -4.96 119.74 122.98 1wii s LYS 38 Ca 0.06 -1.45 -0.23 0.00 0.02 0.00 0.00 55.97 54.37 1wii s LYS 38 Cb -0.15 -4.14 0.07 0.00 -0.52 0.00 0.00 37.83 33.09 1wii s LYS 38 CO 0.07 -1.10 0.99 -1.64 -0.92 0.00 0.00 175.35 172.75 1wii s MET 39 N 1.61 3.13 -0.48 1.68 -1.94 -1.26 -1.23 119.30 120.81 1wii s MET 39 Ca 0.04 -0.76 -0.16 0.00 -1.71 0.00 0.00 55.69 53.09 1wii s MET 39 Cb -0.26 -4.22 0.07 0.00 2.01 0.00 0.00 34.83 32.44 1wii s MET 39 CO 0.05 -1.83 0.43 0.34 -0.01 0.00 0.00 175.02 174.01 1wii s ASP 40 N 3.64 6.16 -0.09 3.03 -1.08 -1.22 -4.94 116.67 122.18 1wii s ASP 40 Ca 0.23 -1.25 -0.25 0.00 -0.52 0.00 0.00 52.55 50.77 1wii s ASP 40 Cb -0.16 -2.20 -0.21 0.00 -1.46 0.00 0.00 42.92 38.89 1wii s ASP 40 CO 0.11 -0.69 0.88 0.03 0.52 0.00 0.00 175.17 176.03 1wii h ARG 41 N 8.79 -0.04 -0.99 4.34 -0.00 -1.94 0.57 114.38 125.11 1wii h ARG 41 Ca -0.28 0.00 0.36 0.00 -0.50 0.00 0.00 59.98 59.56 1wii h ARG 41 Cb 1.11 0.01 -0.17 0.00 0.00 0.00 0.00 29.97 30.92 1wii h ARG 41 CO 0.89 0.66 0.47 0.00 0.00 0.00 0.00 179.97 181.99 1wii h ALA 42 N 0.03 1.94 0.00 0.04 0.00 -1.99 0.36 119.26 119.65 1wii h ALA 42 Ca -0.00 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1wii h ALA 42 Cb 0.72 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1wii h ALA 42 CO 0.01 -0.78 -2.03 0.54 0.00 0.00 0.00 179.25 176.99 1wii n ARG 43 N -5.23 0.66 -3.03 0.00 5.12 -1.24 -5.01 116.66 107.94 1wii n ARG 43 Ca 0.34 -0.16 -0.13 0.00 -1.93 0.00 0.00 57.85 55.97 1wii n ARG 43 Cb 1.11 -1.53 0.05 0.00 -1.16 0.00 0.00 32.46 30.93 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 -2.35 -3.17 -3.64 0.55 4.13 0.18 -4.95 115.26 106.00 1wii n ASN 44 Ca -0.09 -0.37 -0.15 0.00 1.68 0.00 0.00 54.58 55.65 1wii n ASN 44 Cb 0.67 -3.42 -0.14 0.00 -1.54 0.00 0.00 39.78 35.35 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 -3.22 -0.36 -0.10 3.41 2.01 -0.41 -0.94 115.64 116.04 1wii s THR 45 Ca 0.16 0.24 -0.24 0.00 0.31 0.00 0.00 61.69 62.16 1wii s THR 45 Cb -0.07 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 1wii s THR 45 CO 0.46 0.08 0.73 -0.83 -0.69 0.00 0.00 174.62 174.38 1wii s GLY 46 N 2.37 2.48 -0.17 4.40 0.00 0.21 -3.38 107.32 113.24 1wii s GLY 46 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1wii s GLY 46 CO -0.08 1.32 -0.20 0.14 0.00 0.00 0.00 173.10 174.28 1wii s VAL 47 N 1.18 2.01 0.32 1.40 1.01 -0.36 -1.20 120.40 124.75 1wii s VAL 47 Ca 0.38 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.52 1wii s VAL 47 Cb -0.17 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1wii s VAL 47 CO 0.17 0.53 0.22 -0.51 0.00 0.00 0.00 175.10 175.51 1wii s ILE 48 N 1.25 3.60 0.19 2.22 2.07 -0.39 -0.18 121.20 129.96 1wii s ILE 48 Ca 0.03 -1.48 -0.18 0.00 -1.41 0.00 0.00 60.65 57.61 1wii s ILE 48 Cb -0.13 -3.16 0.03 0.00 0.13 0.00 0.00 42.46 39.33 1wii s ILE 48 CO -0.11 -0.22 0.53 -0.94 -1.91 0.00 0.00 174.94 172.28 1wii s SER 49 N -3.91 -0.30 0.29 4.50 1.04 -0.87 -1.22 113.70 113.23 1wii s SER 49 Ca 0.38 -0.40 0.09 0.00 0.48 0.00 0.00 55.95 56.50 1wii s SER 49 Cb -0.06 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 1wii s SER 49 CO 0.25 -1.03 0.09 0.00 0.98 0.00 0.00 173.24 173.53 1wii n THR 51 N -1.05 2.13 0.04 0.00 -2.24 -0.18 -4.23 114.28 108.76 1wii n THR 51 Ca -0.05 -3.03 0.00 0.00 -2.27 0.00 0.00 64.05 58.70 1wii n THR 51 Cb 0.60 -0.23 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 -1.18 0.03 0.81 2.28 0.31 -1.26 -4.87 118.33 114.44 1wii n VAL 52 Ca 0.18 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.63 1wii n VAL 52 Cb 0.68 -0.58 0.04 0.00 -0.91 0.00 0.00 33.84 33.07 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 -1.70 -4.02 -4.61 0.00 4.77 -1.26 -5.05 117.00 105.13 1wii n LEU 54 Ca 0.03 -0.42 -0.23 0.00 -0.03 0.00 0.00 56.01 55.36 1wii n LEU 54 Cb 0.38 -2.12 -0.08 0.00 -2.33 0.00 0.00 43.42 39.27 1wii n LEU 54 CO 0.40 0.09 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.58 1wii s GLU 55 N -4.01 2.15 -0.12 3.23 0.41 -1.26 -4.92 118.70 114.17 1wii s GLU 55 Ca 0.23 -1.52 -0.18 0.00 -0.41 0.00 0.00 54.97 53.08 1wii s GLU 55 Cb -0.03 -2.06 0.04 0.00 -1.78 0.00 0.00 34.13 30.31 1wii s GLU 55 CO 0.44 0.33 0.47 -2.00 -0.49 0.00 0.00 175.26 174.02 1wii s GLU 56 N -3.65 0.66 0.03 1.61 2.12 -1.26 -0.63 118.70 117.59 1wii s GLU 56 Ca 0.32 0.41 -0.01 0.00 0.36 0.00 0.00 54.97 56.04 1wii s GLU 56 Cb -0.06 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 1wii s GLU 56 CO 0.19 -0.13 -0.02 0.12 -0.54 0.00 0.00 175.26 174.88 1wii s PHE 57 N -0.32 0.35 0.10 5.30 5.36 -0.36 -4.99 117.98 123.43 1wii s PHE 57 Ca -0.05 -0.72 0.08 0.00 -0.96 0.00 0.00 56.93 55.28 1wii s PHE 57 Cb -0.03 -0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 42.35 1wii s PHE 57 CO 0.03 -0.27 -0.21 -0.65 -1.46 0.00 0.00 175.22 172.65 1wii s GLN 58 N -2.44 1.15 -0.24 10.12 -0.21 -1.26 -1.26 119.66 125.52 1wii s GLN 58 Ca -0.07 -1.17 -0.26 0.00 0.02 0.00 0.00 55.36 53.88 1wii s GLN 58 Cb -0.03 -1.43 0.08 0.00 1.00 0.00 0.00 33.01 32.63 1wii s GLN 58 CO -0.05 0.33 0.75 -0.08 -2.12 0.00 0.00 175.29 174.13 1wii s THR 59 N -1.15 0.00 0.02 -0.19 -1.32 -0.34 -5.01 115.64 107.65 1wii s THR 59 Ca 0.07 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.25 1wii s THR 59 Cb -0.10 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 1wii s THR 59 CO 0.04 0.00 1.44 -2.16 -2.21 0.00 0.00 174.62 171.73 1wii s PRO 60 N 0.12 4.27 0.19 7.08 0.04 -1.26 0.67 135.00 146.11 1wii s PRO 60 Ca -0.01 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wii s PRO 60 Cb -0.04 -3.55 -0.01 0.00 0.04 0.00 0.00 34.50 30.94 1wii s PRO 60 CO 0.02 -0.59 0.08 0.44 0.04 0.00 0.00 177.00 176.99 1wii n ILE 61 N 4.62 0.00 -3.95 0.56 -6.64 -0.11 -4.80 119.36 109.03 1wii n ILE 61 Ca 0.13 -1.17 -0.09 0.00 -1.77 0.00 0.00 62.75 59.86 1wii n ILE 61 Cb 0.43 0.44 -0.09 0.00 -1.44 0.00 0.00 39.64 38.98 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 -2.34 0.15 0.45 7.28 -4.23 -1.26 -4.33 115.64 111.35 1wii s THR 62 Ca 0.11 -1.20 0.35 0.00 -1.18 0.00 0.00 61.69 59.78 1wii s THR 62 Cb 0.01 -0.97 0.54 0.00 1.34 0.00 0.00 72.50 73.41 1wii s THR 62 CO 0.08 -0.66 1.49 0.00 -0.54 0.00 0.00 174.62 174.99 1wii n TYR 63 N 0.68 0.50 0.04 3.99 4.19 -1.26 0.23 117.16 125.53 1wii n TYR 63 Ca -0.18 0.51 -0.20 0.00 3.31 0.00 0.00 57.90 61.34 1wii n TYR 63 Cb 0.59 -0.95 -0.10 0.00 0.49 0.00 0.00 39.34 39.37 1wii n TYR 63 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 1wii h LEU 64 N 0.00 0.90 -7.64 2.98 3.38 -2.03 -3.46 115.31 109.44 1wii h LEU 64 Ca 0.86 -0.71 -0.50 0.00 0.09 0.00 0.00 57.88 57.62 1wii h LEU 64 Cb 2.95 -0.27 0.17 0.00 0.09 0.00 0.00 40.66 43.59 1wii h LEU 64 CO -0.34 1.52 -1.14 -1.20 0.09 0.00 0.00 178.44 177.37 1wii n SER 65 N -3.85 -3.64 -4.56 -0.43 7.64 0.63 -4.98 113.62 104.44 1wii n SER 65 Ca -0.11 0.45 -0.24 0.00 1.01 0.00 0.00 58.87 59.99 1wii n SER 65 Cb 0.88 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.07 1.97 0.00 1.43 2.02 -1.26 -4.87 118.70 116.91 1wii s GLU 66 Ca 0.45 -1.64 0.15 0.00 0.02 0.00 0.00 54.97 53.94 1wii s GLU 66 Cb -0.35 -1.94 0.69 0.00 0.10 0.00 0.00 34.13 32.63 1wii s GLU 66 CO 0.60 0.31 1.43 -0.35 0.02 0.00 0.00 175.26 177.26 1wii n PRO 67 N -0.78 0.12 -0.02 0.39 -0.04 -1.26 -2.58 135.00 130.83 1wii n PRO 67 Ca -0.05 0.19 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 1wii n PRO 67 Cb 0.60 -1.50 -0.14 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 -1.38 1.68 0.05 0.52 3.14 -1.26 -4.10 118.33 116.99 1wii n VAL 68 Ca 0.05 -0.72 -0.13 0.00 -2.96 0.00 0.00 64.34 60.58 1wii n VAL 68 Cb 0.14 -1.36 -0.08 0.00 -1.06 0.00 0.00 33.84 31.48 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 0.03 -0.07 -1.02 6.55 1.82 -1.91 -2.81 116.42 119.01 1wii h ASP 69 Ca -0.37 -0.16 0.24 0.00 -0.39 0.00 0.00 57.03 56.36 1wii h ASP 69 Cb 2.03 0.02 -0.10 0.00 0.68 0.00 0.00 39.33 41.96 1wii h ASP 69 CO 0.08 0.11 0.64 0.58 -1.61 0.00 0.00 179.24 179.04 1wii h VAL 70 N -0.25 0.57 -0.17 2.25 2.07 -1.75 -0.10 116.25 118.88 1wii h VAL 70 Ca -0.01 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1wii h VAL 70 Cb 0.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1wii h VAL 70 CO 0.01 0.09 0.03 0.22 0.02 0.00 0.00 177.57 177.94 1wii h TYR 71 N 0.49 0.05 -0.32 1.57 3.20 -1.65 -2.62 116.97 117.70 1wii h TYR 71 Ca 0.59 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.51 1wii h TYR 71 Cb 1.33 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.56 1wii h TYR 71 CO -0.00 0.02 0.11 0.77 -1.64 0.00 0.00 178.16 177.41 1wii h SER 72 N 0.10 0.12 -0.38 -2.11 0.02 -0.99 -2.75 113.55 107.55 1wii h SER 72 Ca 0.08 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1wii h SER 72 Cb 0.07 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 62.54 1wii h SER 72 CO -0.10 0.11 -0.33 0.44 -1.14 0.00 0.00 176.83 175.80 1wii h ASP 73 N 0.25 -1.10 -0.95 3.07 3.32 -1.15 0.41 116.42 120.27 1wii h ASP 73 Ca 0.14 0.19 0.22 0.00 0.02 0.00 0.00 57.03 57.60 1wii h ASP 73 Cb 0.11 0.51 -0.12 0.00 0.22 0.00 0.00 39.33 40.05 1wii h ASP 73 CO -0.15 -0.33 0.50 -0.25 -1.72 0.00 0.00 179.24 177.30 1wii h TRP 74 N -0.27 0.86 0.42 4.55 7.01 -1.19 0.21 115.95 127.56 1wii h TRP 74 Ca 0.17 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1wii h TRP 74 Cb 0.54 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1wii h TRP 74 CO -0.54 0.06 -0.32 0.82 -2.79 0.00 0.00 178.44 175.68 1wii h ILE 75 N 0.54 0.00 0.00 2.65 1.08 -0.76 -1.84 117.51 119.19 1wii h ILE 75 Ca 0.58 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 65.05 1wii h ILE 75 Cb 1.06 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1wii h ILE 75 CO -0.47 0.00 -0.00 0.44 -0.69 0.00 0.00 178.15 177.43 1wii h ASP 76 N -0.71 0.00 0.01 1.72 5.19 -1.02 -0.80 116.42 120.80 1wii h ASP 76 Ca -0.06 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 1wii h ASP 76 Cb 0.59 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1wii h ASP 76 CO 0.02 0.00 -0.25 0.00 -3.12 0.00 0.00 179.24 175.89 1wii h ALA 77 N 2.00 1.18 0.10 3.45 0.00 0.01 -3.23 119.26 122.76 1wii h ALA 77 Ca -0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1wii h ALA 77 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wii h ALA 77 CO 0.00 0.53 -1.62 0.00 0.00 0.00 0.00 179.25 178.16 1wii n GLU 79 N -3.85 0.00 -1.51 0.00 -0.58 -0.45 -0.68 120.64 113.58 1wii n GLU 79 Ca -0.29 1.07 -0.28 0.00 -0.42 0.00 0.00 57.16 57.23 1wii n GLU 79 Cb 0.92 -2.51 -0.06 0.00 -0.57 0.00 0.00 31.44 29.22 1wii n GLU 79 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1wii n SER 80 N -3.75 6.72 -1.06 1.62 7.64 -1.23 -4.78 113.62 118.79 1wii n SER 80 Ca 0.40 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1wii n SER 80 Cb 1.91 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wii n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wii n GLY 81 N 1.45 -2.14 3.61 0.23 0.00 0.15 -5.07 105.19 103.42 1wii n GLY 81 Ca 0.52 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.00 -0.89 -1.08 1.61 0.04 -1.14 -4.83 135.00 127.71 1wii s PRO 82 Ca 0.00 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.85 1wii s PRO 82 Cb 0.00 -1.62 -0.16 0.00 0.04 0.00 0.00 34.50 32.76 1wii s PRO 82 CO 0.00 -3.51 2.07 0.45 0.04 0.00 0.00 177.00 176.04 1wii s SER 83 N -3.79 4.15 -0.43 6.66 0.15 -1.26 -4.71 113.70 114.46 1wii s SER 83 Ca 0.70 -1.12 -0.00 0.00 0.70 0.00 0.00 55.95 56.23 1wii s SER 83 Cb -0.12 -2.59 0.37 0.00 -1.71 0.00 0.00 66.02 61.97 1wii s SER 83 CO 0.56 -3.97 1.91 -1.20 1.20 0.00 0.00 173.24 171.75 1wii n SER 84 N 17.36 5.93 0.00 5.45 7.64 -1.26 -5.29 113.62 143.45 1wii n SER 84 Ca 0.43 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1wii n SER 84 Cb 0.46 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64