#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 -0.27 -0.37 1.61 1.04 -1.26 -5.13 113.70 109.32 1wii s SER 2 Ca 0.00 0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.78 1wii s SER 2 Cb 0.00 0.29 0.12 0.00 0.10 0.00 0.00 66.02 66.53 1wii s SER 2 CO 0.00 -0.21 0.18 -0.44 0.98 0.00 0.00 173.24 173.75 1wii s SER 3 N -0.81 3.70 -0.08 7.02 0.01 -1.26 -5.10 113.70 117.19 1wii s SER 3 Ca 0.02 -2.15 -0.31 0.00 1.31 0.00 0.00 55.95 54.82 1wii s SER 3 Cb -0.02 -0.87 0.12 0.00 0.21 0.00 0.00 66.02 65.46 1wii s SER 3 CO -0.03 -0.33 1.38 -0.83 0.41 0.00 0.00 173.24 173.83 1wii s GLY 4 N 0.98 -0.31 -0.31 3.44 0.00 -1.26 -5.14 107.32 104.73 1wii s GLY 4 Ca 0.14 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.32 1wii s GLY 4 CO -0.10 4.21 0.69 -1.35 0.00 0.00 0.00 173.10 176.56 1wii s SER 5 N -3.58 -1.36 0.63 1.64 1.04 -1.26 -5.15 113.70 105.66 1wii s SER 5 Ca 0.25 -0.00 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 1wii s SER 5 Cb 0.03 1.83 -0.03 0.00 0.10 0.00 0.00 66.02 67.95 1wii s SER 5 CO -0.04 -0.23 1.05 -0.24 0.98 0.00 0.00 173.24 174.76 1wii n SER 6 N 5.14 1.04 0.05 7.02 2.88 -1.26 -4.92 113.62 123.57 1wii n SER 6 Ca 0.07 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wii n SER 6 Cb 0.55 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1wii n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 7 N 1.18 -0.42 2.27 0.46 0.00 -1.26 -4.96 105.19 102.46 1wii n GLY 7 Ca 0.14 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1wii n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wii n ARG 8 N -2.76 3.06 -3.08 1.61 1.74 -1.26 -4.91 116.66 111.06 1wii n ARG 8 Ca 0.00 -3.99 -0.06 0.00 -0.77 0.00 0.00 57.85 53.03 1wii n ARG 8 Cb 0.00 -2.08 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 1wii n ARG 8 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1wii s LYS 9 N -3.65 0.90 0.21 5.56 2.20 -1.26 -5.14 119.74 118.55 1wii s LYS 9 Ca 0.44 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.92 1wii s LYS 9 Cb 0.39 -0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.39 1wii s LYS 9 CO 0.01 -1.26 1.30 -1.25 -0.36 0.00 0.00 175.35 173.79 1wii s PRO 10 N 1.25 4.40 0.92 4.03 0.04 -1.26 -4.97 135.00 139.40 1wii s PRO 10 Ca 0.23 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.20 1wii s PRO 10 Cb -0.04 -3.19 0.14 0.00 0.04 0.00 0.00 34.50 31.46 1wii s PRO 10 CO -0.07 -0.23 1.09 -1.25 0.04 0.00 0.00 177.00 176.59 1wii s PRO 11 N -0.27 1.08 -0.25 0.56 0.04 -1.26 -4.95 135.00 129.95 1wii s PRO 11 Ca 0.56 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1wii s PRO 11 Cb -0.36 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1wii s PRO 11 CO 0.39 -2.35 1.63 -1.25 0.04 0.00 0.00 177.00 175.47 1wii s PRO 12 N -4.94 3.69 0.14 0.56 0.04 -1.26 -5.00 135.00 128.22 1wii s PRO 12 Ca 0.64 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.30 1wii s PRO 12 Cb -0.18 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1wii s PRO 12 CO 0.57 -1.42 0.06 0.15 0.04 0.00 0.00 177.00 176.41 1wii s LYS 13 N 4.88 2.70 -0.07 4.56 1.02 -1.26 -5.13 119.74 126.43 1wii s LYS 13 Ca 0.72 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.76 1wii s LYS 13 Cb -0.24 -2.56 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1wii s LYS 13 CO 0.30 0.50 0.18 0.15 -0.92 0.00 0.00 175.35 175.57 1wii s LYS 14 N -2.79 0.20 -0.48 1.68 1.02 -1.26 -5.12 119.74 112.99 1wii s LYS 14 Ca 0.29 0.29 -0.10 0.00 0.02 0.00 0.00 55.97 56.46 1wii s LYS 14 Cb -0.11 0.05 0.12 0.00 -0.52 0.00 0.00 37.83 37.38 1wii s LYS 14 CO 0.21 -0.05 0.37 0.15 -0.92 0.00 0.00 175.35 175.11 1wii s LYS 15 N 0.31 2.56 -0.23 1.68 -0.14 -1.26 -5.06 119.74 117.60 1wii s LYS 15 Ca -0.02 -1.75 -0.23 0.00 -1.36 0.00 0.00 55.97 52.61 1wii s LYS 15 Cb -0.03 -3.98 -0.01 0.00 -1.68 0.00 0.00 37.83 32.12 1wii s LYS 15 CO -0.01 -1.21 0.75 1.41 -0.76 0.00 0.00 175.35 175.53 1wii s MET 16 N 1.40 4.18 0.00 1.68 -2.45 -1.26 -4.76 119.30 118.10 1wii s MET 16 Ca 0.05 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.30 1wii s MET 16 Cb -0.27 -3.63 0.00 0.00 1.25 0.00 0.00 34.83 32.19 1wii s MET 16 CO -0.00 -0.43 0.00 -2.37 1.05 0.00 0.00 175.02 173.27 1wii n THR 17 N 5.09 0.00 -1.44 10.11 5.66 -1.26 -5.12 114.28 127.32 1wii n THR 17 Ca 0.03 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.56 1wii n THR 17 Cb 0.48 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.24 1wii n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1wii n GLY 18 N -0.11 -1.48 7.00 1.09 0.00 -1.26 -4.61 105.19 105.82 1wii n GLY 18 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1wii n GLY 18 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wii n THR 19 N -0.06 0.00 -3.58 2.61 5.66 -1.26 -4.72 114.28 112.93 1wii n THR 19 Ca 0.15 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.88 1wii n THR 19 Cb 0.28 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 68.90 1wii n THR 19 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1wii s LEU 20 N 0.00 0.47 0.42 1.09 2.96 -1.26 -5.14 118.68 117.22 1wii s LEU 20 Ca 0.00 -0.92 -0.22 0.00 -0.22 0.00 0.00 54.13 52.77 1wii s LEU 20 Cb 0.00 -0.30 -0.11 0.00 0.50 0.00 0.00 46.19 46.28 1wii s LEU 20 CO 0.00 -0.39 0.96 -1.83 -1.32 0.00 0.00 176.35 173.77 1wii s GLU 21 N 2.11 4.25 -0.43 1.98 -1.05 -1.26 -4.98 118.70 119.31 1wii s GLU 21 Ca 0.05 1.16 0.04 0.00 -0.15 0.00 0.00 54.97 56.07 1wii s GLU 21 Cb -0.16 -2.25 0.49 0.00 -0.44 0.00 0.00 34.13 31.77 1wii s GLU 21 CO -0.21 -0.02 1.61 0.25 0.95 0.00 0.00 175.26 177.84 1wii n THR 22 N -0.52 2.97 -4.32 1.83 -2.24 -1.26 -4.87 114.28 105.88 1wii n THR 22 Ca 0.07 -3.22 -0.25 0.00 -2.27 0.00 0.00 64.05 58.38 1wii n THR 22 Cb 0.53 -0.88 -0.12 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.56 1.21 0.20 -0.78 -0.21 -1.26 -3.77 119.66 111.49 1wii s GLN 23 Ca 0.55 -1.24 -0.20 0.00 0.02 0.00 0.00 55.36 54.48 1wii s GLN 23 Cb 0.45 -1.51 0.04 0.00 1.00 0.00 0.00 33.01 32.99 1wii s GLN 23 CO 0.02 0.35 0.59 -0.06 -2.12 0.00 0.00 175.29 174.07 1wii s PHE 24 N -1.25 -0.29 0.38 0.91 0.40 -1.25 -5.00 117.98 111.87 1wii s PHE 24 Ca 0.10 -0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.18 1wii s PHE 24 Cb -0.09 0.52 -0.10 0.00 0.51 0.00 0.00 43.02 43.86 1wii s PHE 24 CO 0.05 -0.96 0.91 0.99 0.70 0.00 0.00 175.22 176.91 1wii s THR 25 N -3.84 4.38 -0.22 0.64 2.01 -1.26 -3.44 115.64 113.91 1wii s THR 25 Ca 0.06 1.51 -0.11 0.00 0.31 0.00 0.00 61.69 63.46 1wii s THR 25 Cb -0.02 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1wii s THR 25 CO -0.05 -0.15 0.20 0.00 -0.69 0.00 0.00 174.62 173.93 1wii h PRO 27 N 7.30 0.00 0.01 0.00 0.13 -1.97 0.23 132.00 137.69 1wii h PRO 27 Ca -0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1wii h PRO 27 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wii h PRO 27 CO 0.69 0.10 -0.00 0.74 -0.23 0.00 0.00 178.00 179.29 1wii h PHE 28 N 0.00 -0.01 0.03 1.56 -1.00 -2.00 -3.42 116.94 112.10 1wii h PHE 28 Ca -0.00 -0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 1wii h PHE 28 Cb 0.56 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1wii h PHE 28 CO 0.00 -0.01 -1.63 0.00 -1.61 0.00 0.00 178.31 175.07 1wii n ASN 30 N -4.13 -2.02 -3.75 0.00 4.13 0.80 -5.01 115.26 105.28 1wii n ASN 30 Ca -0.35 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 55.62 1wii n ASN 30 Cb 0.81 -1.01 -0.15 0.00 -1.54 0.00 0.00 39.78 37.88 1wii n ASN 30 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1wii s HIS 31 N -0.60 1.71 -0.27 3.10 2.46 -1.26 -4.92 115.29 115.52 1wii s HIS 31 Ca 0.00 -1.67 -0.25 0.00 0.47 0.00 0.00 55.06 53.62 1wii s HIS 31 Cb -0.00 -1.66 -0.11 0.00 -0.13 0.00 0.00 32.58 30.69 1wii s HIS 31 CO 0.00 -0.84 1.00 -1.91 -2.47 0.00 0.00 174.74 170.51 1wii n GLU 32 N 4.85 0.00 -2.72 2.88 2.13 -1.26 -2.65 120.64 123.87 1wii n GLU 32 Ca -0.03 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.76 1wii n GLU 32 Cb 0.43 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 31.33 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 3.03 -3.06 -2.23 5.31 5.02 -1.26 -5.01 118.16 119.95 1wii n LYS 33 Ca 0.23 2.53 -0.01 0.00 -2.02 0.00 0.00 58.31 59.03 1wii n LYS 33 Cb -0.03 -5.38 0.08 0.00 -0.02 0.00 0.00 35.03 29.69 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 0.36 -0.92 -3.80 4.39 7.64 -1.08 -5.03 113.62 115.17 1wii n SER 34 Ca 0.04 -1.77 -0.13 0.00 1.01 0.00 0.00 58.87 58.03 1wii n SER 34 Cb 0.15 0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.17 2.73 -0.28 0.00 2.15 -0.60 -3.81 116.67 117.03 1wii s ASP 36 Ca -0.01 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.37 1wii s ASP 36 Cb -0.02 -1.24 -0.04 0.00 -0.30 0.00 0.00 42.92 41.32 1wii s ASP 36 CO -0.00 0.05 0.15 -0.69 -0.17 0.00 0.00 175.17 174.51 1wii s VAL 37 N 0.89 4.95 -0.60 1.11 1.01 -1.25 -1.68 120.40 124.84 1wii s VAL 37 Ca -0.07 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 1wii s VAL 37 Cb -0.15 -3.37 0.14 0.00 0.00 0.00 0.00 36.38 32.99 1wii s VAL 37 CO -0.01 0.25 0.58 -0.75 0.00 0.00 0.00 175.10 175.17 1wii s LYS 38 N 1.70 3.10 -0.88 2.72 2.47 0.89 -4.97 119.74 124.77 1wii s LYS 38 Ca 0.07 -1.76 -0.25 0.00 -1.56 0.00 0.00 55.97 52.47 1wii s LYS 38 Cb -0.16 -4.32 0.05 0.00 -1.46 0.00 0.00 37.83 31.93 1wii s LYS 38 CO 0.08 -1.36 1.34 -1.64 0.16 0.00 0.00 175.35 173.93 1wii s MET 39 N 1.57 3.40 -0.53 4.03 -1.94 -1.26 -1.35 119.30 123.21 1wii s MET 39 Ca 0.07 -0.75 -0.22 0.00 -1.71 0.00 0.00 55.69 53.08 1wii s MET 39 Cb -0.26 -4.78 0.05 0.00 2.01 0.00 0.00 34.83 31.85 1wii s MET 39 CO 0.02 -2.15 0.81 0.34 -0.01 0.00 0.00 175.02 174.03 1wii s ASP 40 N 4.33 6.29 -0.06 3.03 -1.08 -1.18 -4.93 116.67 123.07 1wii s ASP 40 Ca 0.40 -0.59 -0.12 0.00 -0.52 0.00 0.00 52.55 51.72 1wii s ASP 40 Cb -0.04 -2.38 -0.07 0.00 -1.46 0.00 0.00 42.92 38.97 1wii s ASP 40 CO 0.02 -1.09 0.47 0.03 0.52 0.00 0.00 175.17 175.12 1wii h ARG 41 N 9.18 -0.31 -1.00 4.34 2.47 -1.93 0.72 114.38 127.85 1wii h ARG 41 Ca -0.27 0.02 0.41 0.00 -1.26 0.00 0.00 59.98 58.89 1wii h ARG 41 Cb 1.08 0.07 -0.17 0.00 -1.65 0.00 0.00 29.97 29.30 1wii h ARG 41 CO 1.04 -0.14 0.55 0.00 0.56 0.00 0.00 179.97 181.98 1wii n ALA 42 N -2.73 1.02 0.31 0.04 0.00 -1.26 0.17 120.51 118.07 1wii n ALA 42 Ca -0.05 0.98 0.11 0.00 0.00 0.00 0.00 53.44 54.47 1wii n ALA 42 Cb 0.16 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 1wii n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wii n ARG 43 N -5.15 0.45 -3.53 0.00 5.12 -1.24 -5.00 116.66 107.32 1wii n ARG 43 Ca 0.37 -0.12 -0.21 0.00 -1.93 0.00 0.00 57.85 55.96 1wii n ARG 43 Cb 1.27 -1.53 0.08 0.00 -1.16 0.00 0.00 32.46 31.12 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 -2.05 -3.91 -3.64 0.55 3.02 0.46 -4.92 115.26 104.76 1wii n ASN 44 Ca -0.01 -0.60 -0.22 0.00 -0.03 0.00 0.00 54.58 53.72 1wii n ASN 44 Cb 0.49 -4.99 -0.17 0.00 -0.61 0.00 0.00 39.78 34.51 1wii n ASN 44 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wii s THR 45 N -3.36 -0.13 -0.43 3.41 2.01 -0.11 -0.43 115.64 116.59 1wii s THR 45 Ca 0.27 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.17 1wii s THR 45 Cb -0.12 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 72.07 1wii s THR 45 CO 0.74 -0.01 1.07 -0.83 -0.69 0.00 0.00 174.62 174.90 1wii s GLY 46 N 2.18 1.40 -0.30 4.40 0.00 0.51 -3.13 107.32 112.38 1wii s GLY 46 Ca 0.04 -0.42 -0.08 0.00 0.00 0.00 0.00 44.72 44.26 1wii s GLY 46 CO -0.06 2.29 0.11 0.14 0.00 0.00 0.00 173.10 175.58 1wii s VAL 47 N 4.09 4.20 0.32 1.40 1.01 -0.46 -2.04 120.40 128.93 1wii s VAL 47 Ca 0.45 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1wii s VAL 47 Cb -0.09 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1wii s VAL 47 CO 0.26 0.07 0.33 -0.51 0.00 0.00 0.00 175.10 175.24 1wii s ILE 48 N 1.54 3.84 0.19 2.22 2.07 -0.49 -0.08 121.20 130.49 1wii s ILE 48 Ca 0.03 -1.27 -0.19 0.00 -1.41 0.00 0.00 60.65 57.81 1wii s ILE 48 Cb -0.17 -3.29 0.04 0.00 0.13 0.00 0.00 42.46 39.17 1wii s ILE 48 CO 0.04 -0.20 0.55 -0.94 -1.91 0.00 0.00 174.94 172.49 1wii s SER 49 N -4.02 -0.35 0.37 4.50 1.04 -0.68 -1.12 113.70 113.45 1wii s SER 49 Ca 0.41 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.58 1wii s SER 49 Cb -0.07 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1wii s SER 49 CO 0.28 -1.04 0.32 0.00 0.98 0.00 0.00 173.24 173.77 1wii n THR 51 N -1.43 1.24 0.00 0.00 -2.24 -0.37 -4.39 114.28 107.10 1wii n THR 51 Ca 0.00 -2.21 0.00 0.00 -2.27 0.00 0.00 64.05 59.57 1wii n THR 51 Cb 0.61 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.45 0.00 0.46 2.28 0.31 -1.26 -4.89 118.33 114.78 1wii n VAL 52 Ca 0.13 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 1wii n VAL 52 Cb 0.87 -0.25 -0.12 0.00 -0.91 0.00 0.00 33.84 33.42 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 -1.78 -3.09 -4.66 0.00 4.77 -1.26 -5.07 117.00 105.92 1wii n LEU 54 Ca 0.00 -0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 1wii n LEU 54 Cb 0.39 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.01 1wii n LEU 54 CO 0.39 0.06 -0.30 -1.61 -1.33 0.00 0.00 177.39 174.60 1wii s GLU 55 N -3.70 2.26 -0.13 3.23 0.41 -1.26 -4.92 118.70 114.58 1wii s GLU 55 Ca 0.12 -1.51 -0.21 0.00 -0.41 0.00 0.00 54.97 52.96 1wii s GLU 55 Cb -0.02 -2.11 0.05 0.00 -1.78 0.00 0.00 34.13 30.27 1wii s GLU 55 CO 0.25 0.26 0.53 -2.00 -0.49 0.00 0.00 175.26 173.81 1wii s GLU 56 N -3.72 0.73 0.04 1.61 2.12 -1.26 -0.39 118.70 117.84 1wii s GLU 56 Ca 0.33 0.45 0.01 0.00 0.36 0.00 0.00 54.97 56.12 1wii s GLU 56 Cb -0.04 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.67 1wii s GLU 56 CO 0.20 -0.15 -0.05 0.12 -0.54 0.00 0.00 175.26 174.84 1wii s PHE 57 N -0.37 0.47 0.05 5.30 5.36 -0.27 -4.98 117.98 123.55 1wii s PHE 57 Ca -0.05 -0.66 0.08 0.00 -0.96 0.00 0.00 56.93 55.34 1wii s PHE 57 Cb -0.03 -0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 42.31 1wii s PHE 57 CO 0.03 -0.19 -0.22 -0.65 -1.46 0.00 0.00 175.22 172.73 1wii s GLN 58 N -2.18 1.47 -0.23 10.12 -0.21 -1.26 -1.39 119.66 125.98 1wii s GLN 58 Ca -0.08 -1.01 -0.26 0.00 0.02 0.00 0.00 55.36 54.03 1wii s GLN 58 Cb -0.05 -1.62 0.09 0.00 1.00 0.00 0.00 33.01 32.43 1wii s GLN 58 CO -0.03 0.41 0.83 -0.08 -2.12 0.00 0.00 175.29 174.30 1wii s THR 59 N -0.83 0.00 0.14 -0.19 -1.32 -0.86 -5.01 115.64 107.57 1wii s THR 59 Ca 0.09 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.26 1wii s THR 59 Cb -0.09 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1wii s THR 59 CO 0.02 0.00 1.34 -2.16 -2.21 0.00 0.00 174.62 171.61 1wii s PRO 60 N -0.05 4.36 0.17 7.08 0.04 -1.26 0.19 135.00 145.53 1wii s PRO 60 Ca -0.01 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1wii s PRO 60 Cb -0.04 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1wii s PRO 60 CO 0.00 -0.35 0.13 0.96 0.04 0.00 0.00 177.00 177.79 1wii s ILE 61 N 0.70 0.05 0.04 0.56 -5.25 0.43 -4.71 121.20 113.02 1wii s ILE 61 Ca 0.61 -1.88 0.01 0.00 -0.99 0.00 0.00 60.65 58.40 1wii s ILE 61 Cb -0.36 -2.24 -0.03 0.00 2.95 0.00 0.00 42.46 42.79 1wii s ILE 61 CO 0.33 -0.22 -0.05 0.42 -1.79 0.00 0.00 174.94 173.63 1wii s THR 62 N -4.09 0.36 0.31 8.37 -4.23 -1.26 -4.04 115.64 111.05 1wii s THR 62 Ca 0.30 -1.18 0.22 0.00 -1.18 0.00 0.00 61.69 59.85 1wii s THR 62 Cb 0.06 -0.69 0.35 0.00 1.34 0.00 0.00 72.50 73.57 1wii s THR 62 CO 0.07 -0.54 1.11 0.00 -0.54 0.00 0.00 174.62 174.71 1wii n TYR 63 N 1.21 0.53 -0.03 3.99 4.11 -1.26 0.24 117.16 125.95 1wii n TYR 63 Ca -0.21 0.54 -0.11 0.00 -0.00 0.00 0.00 57.90 58.11 1wii n TYR 63 Cb 0.56 -0.94 -0.06 0.00 -0.00 0.00 0.00 39.34 38.90 1wii n TYR 63 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1wii h LEU 64 N 0.00 0.19 -9.02 -3.48 4.07 -2.05 -3.44 115.31 101.58 1wii h LEU 64 Ca 0.62 -0.19 -0.27 0.00 0.08 0.00 0.00 57.88 58.12 1wii h LEU 64 Cb 1.98 -0.05 0.15 0.00 1.08 0.00 0.00 40.66 43.82 1wii h LEU 64 CO -0.35 0.33 -0.74 -1.20 -1.08 0.00 0.00 178.44 175.40 1wii n SER 65 N -4.87 -2.75 -4.19 -0.43 7.64 0.66 -5.03 113.62 104.64 1wii n SER 65 Ca -0.05 -0.24 -0.12 0.00 1.01 0.00 0.00 58.87 59.48 1wii n SER 65 Cb 0.13 -0.73 -0.10 0.00 -1.01 0.00 0.00 64.21 62.50 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 -3.07 0.93 0.00 1.43 2.02 -1.26 -4.90 118.70 113.84 1wii s GLU 66 Ca 0.35 -1.41 0.15 0.00 0.02 0.00 0.00 54.97 54.08 1wii s GLU 66 Cb -0.04 -0.23 0.75 0.00 0.10 0.00 0.00 34.13 34.72 1wii s GLU 66 CO 0.40 -0.06 1.41 -0.35 0.02 0.00 0.00 175.26 176.68 1wii n PRO 67 N -0.11 0.22 -0.06 0.39 -0.04 -1.26 -2.52 135.00 131.62 1wii n PRO 67 Ca -0.10 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.37 1wii n PRO 67 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.28 1.54 -0.02 0.52 3.14 -1.26 -4.37 118.33 116.61 1wii n VAL 68 Ca 0.07 -0.75 -0.12 0.00 -2.96 0.00 0.00 64.34 60.58 1wii n VAL 68 Cb 0.12 -1.03 -0.07 0.00 -1.06 0.00 0.00 33.84 31.80 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 0.01 0.13 -1.09 6.55 3.58 -1.91 -2.84 116.42 120.86 1wii h ASP 69 Ca -0.45 -0.21 0.33 0.00 0.42 0.00 0.00 57.03 57.12 1wii h ASP 69 Cb 2.08 -0.04 -0.13 0.00 1.72 0.00 0.00 39.33 42.96 1wii h ASP 69 CO 0.03 0.31 0.67 0.58 -2.88 0.00 0.00 179.24 177.95 1wii h VAL 70 N -0.05 0.32 0.69 2.25 2.07 -1.76 -0.60 116.25 119.17 1wii h VAL 70 Ca 0.03 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1wii h VAL 70 Cb 0.23 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1wii h VAL 70 CO -0.00 0.05 -0.33 0.22 0.02 0.00 0.00 177.57 177.53 1wii h TYR 71 N 0.29 -0.86 -0.77 1.57 3.20 -1.70 -2.16 116.97 116.53 1wii h TYR 71 Ca 0.72 -0.02 0.18 0.00 3.14 0.00 0.00 58.73 62.75 1wii h TYR 71 Cb 1.84 0.28 -0.12 0.00 1.54 0.00 0.00 36.73 40.28 1wii h TYR 71 CO -0.01 -0.51 0.15 1.03 -1.64 0.00 0.00 178.16 177.19 1wii h SER 72 N -1.16 -0.08 -0.12 -2.11 0.87 -1.08 -0.08 113.55 109.80 1wii h SER 72 Ca -0.09 0.17 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1wii h SER 72 Cb 0.74 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1wii h SER 72 CO 0.16 -0.10 0.00 0.44 -0.53 0.00 0.00 176.83 176.80 1wii h ASP 73 N 0.21 -0.04 -0.87 6.23 5.19 -1.27 -1.95 116.42 123.91 1wii h ASP 73 Ca 0.45 0.03 0.17 0.00 -0.62 0.00 0.00 57.03 57.05 1wii h ASP 73 Cb 0.81 0.05 -0.07 0.00 0.18 0.00 0.00 39.33 40.30 1wii h ASP 73 CO -0.58 -0.00 0.57 -0.25 -3.12 0.00 0.00 179.24 175.85 1wii h TRP 74 N 0.04 0.66 0.48 4.55 7.01 -0.35 0.15 115.95 128.50 1wii h TRP 74 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1wii h TRP 74 Cb 0.06 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 26.92 1wii h TRP 74 CO -0.14 0.22 -0.23 0.82 -2.79 0.00 0.00 178.44 176.32 1wii h ILE 75 N 0.53 0.00 0.00 2.65 1.08 -0.62 -0.79 117.51 120.37 1wii h ILE 75 Ca 0.45 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 1wii h ILE 75 Cb 0.92 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1wii h ILE 75 CO -0.19 0.00 0.00 0.44 -0.69 0.00 0.00 178.15 177.71 1wii h ASP 76 N -0.74 0.00 1.26 1.72 3.32 -1.16 0.11 116.42 120.93 1wii h ASP 76 Ca -0.07 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1wii h ASP 76 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1wii h ASP 76 CO 0.11 0.00 -0.76 0.00 -1.72 0.00 0.00 179.24 176.87 1wii h ALA 77 N 2.00 0.63 0.00 3.45 0.00 -0.47 -3.13 119.26 121.74 1wii h ALA 77 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 1wii h ALA 77 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wii h ALA 77 CO 0.00 0.78 -1.46 0.00 0.00 0.00 0.00 179.25 178.56 1wii h GLU 79 N -1.00 0.00 -6.46 0.00 4.11 -1.07 -3.43 114.58 106.73 1wii h GLU 79 Ca -0.34 0.00 -0.62 0.00 0.07 0.00 0.00 59.36 58.47 1wii h GLU 79 Cb 1.21 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.53 1wii h GLU 79 CO -0.21 0.00 0.48 0.45 0.07 0.00 0.00 179.01 179.80 1wii n SER 80 N -3.62 2.14 0.00 3.06 2.88 -1.18 -4.62 113.62 112.28 1wii n SER 80 Ca 0.02 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wii n SER 80 Cb 0.39 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1wii n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 81 N 2.21 -1.29 3.77 0.46 0.00 -1.26 -4.97 105.19 104.11 1wii n GLY 81 Ca 0.14 -1.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 2.94 0.05 1.61 0.04 -1.26 -5.07 135.00 133.31 1wii s PRO 82 Ca 0.00 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.45 1wii s PRO 82 Cb 0.00 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1wii s PRO 82 CO 0.00 -1.15 0.05 -1.54 0.04 0.00 0.00 177.00 174.40 1wii s SER 83 N -2.37 0.28 -0.01 6.66 1.04 -1.26 -5.01 113.70 113.03 1wii s SER 83 Ca 0.69 -0.70 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 1wii s SER 83 Cb -0.21 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.08 1wii s SER 83 CO 0.38 -0.54 0.16 -0.55 0.98 0.00 0.00 173.24 173.67 1wii s SER 84 N -2.40 6.25 0.00 7.02 0.15 -1.26 -5.27 113.70 118.20 1wii s SER 84 Ca -0.01 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1wii s SER 84 Cb 0.02 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1wii s SER 84 CO -0.07 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.25