#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 0.00 -1.07 1.61 2.88 -1.26 -5.17 113.62 110.61 1wii n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1wii n SER 2 Cb 0.00 0.04 -0.04 0.00 -0.75 0.00 0.00 64.21 63.46 1wii n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wii n SER 3 N -1.67 -6.10 0.00 -3.46 7.64 -1.26 -4.86 113.62 103.91 1wii n SER 3 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wii n SER 3 Cb 0.00 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.78 1wii n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wii n GLY 4 N -3.31 -1.29 1.50 0.23 0.00 -1.26 -5.07 105.19 95.99 1wii n GLY 4 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1wii n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wii n SER 5 N 0.00 -0.33 -2.94 1.61 2.88 -1.26 -5.10 113.62 108.48 1wii n SER 5 Ca 0.00 0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.51 1wii n SER 5 Cb 0.00 0.65 0.01 0.00 -0.75 0.00 0.00 64.21 64.13 1wii n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wii n SER 6 N -2.47 -7.60 -3.98 -3.46 7.64 -1.26 -5.05 113.62 97.44 1wii n SER 6 Ca 0.00 0.52 -0.09 0.00 1.01 0.00 0.00 58.87 60.31 1wii n SER 6 Cb 0.00 -4.81 -0.11 0.00 -1.01 0.00 0.00 64.21 58.29 1wii n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wii s GLY 7 N -2.33 0.24 -0.19 0.23 0.00 -1.26 -5.05 107.32 98.96 1wii s GLY 7 Ca 0.24 -0.61 0.14 0.00 0.00 0.00 0.00 44.72 44.49 1wii s GLY 7 CO 0.77 -0.69 1.27 0.54 0.00 0.00 0.00 173.10 174.99 1wii n ARG 8 N 1.44 0.91 -2.74 2.90 1.74 -1.26 -5.12 116.66 114.53 1wii n ARG 8 Ca -0.23 -1.76 -0.41 0.00 -0.77 0.00 0.00 57.85 54.68 1wii n ARG 8 Cb 0.56 -0.05 -0.04 0.00 -1.02 0.00 0.00 32.46 31.91 1wii n ARG 8 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1wii s LYS 9 N -0.76 4.65 0.95 5.56 3.01 -1.26 -5.05 119.74 126.84 1wii s LYS 9 Ca 0.14 1.42 -0.12 0.00 -1.01 0.00 0.00 55.97 56.40 1wii s LYS 9 Cb 0.30 -3.40 0.16 0.00 -1.01 0.00 0.00 37.83 33.88 1wii s LYS 9 CO -0.08 0.14 1.09 -1.25 0.51 0.00 0.00 175.35 175.76 1wii s PRO 10 N 0.28 0.81 0.88 -1.68 0.04 -1.26 -5.03 135.00 129.05 1wii s PRO 10 Ca 0.48 0.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 1wii s PRO 10 Cb -0.22 -1.77 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1wii s PRO 10 CO 0.29 -2.51 1.09 -1.25 0.04 0.00 0.00 177.00 174.67 1wii s PRO 11 N -4.95 1.36 -0.90 0.56 0.04 -1.26 -4.90 135.00 124.95 1wii s PRO 11 Ca 0.64 0.86 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 1wii s PRO 11 Cb -0.18 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 1wii s PRO 11 CO 0.57 -2.18 1.95 -1.25 0.04 0.00 0.00 177.00 176.13 1wii s PRO 12 N -4.93 2.56 0.23 0.56 0.04 -1.26 -4.95 135.00 127.25 1wii s PRO 12 Ca 0.63 -0.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.08 1wii s PRO 12 Cb -0.18 -5.06 -0.09 0.00 0.04 0.00 0.00 34.50 29.20 1wii s PRO 12 CO 0.57 -3.38 1.36 0.15 0.04 0.00 0.00 177.00 175.74 1wii s LYS 13 N 7.00 4.34 -0.01 4.56 1.02 -1.26 -5.01 119.74 130.38 1wii s LYS 13 Ca 0.70 2.16 -0.08 0.00 0.02 0.00 0.00 55.97 58.77 1wii s LYS 13 Cb -0.07 -3.15 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1wii s LYS 13 CO -0.01 -0.30 0.27 0.21 -0.92 0.00 0.00 175.35 174.60 1wii s LYS 14 N -0.38 3.62 -0.29 1.68 2.47 -1.26 -5.07 119.74 120.51 1wii s LYS 14 Ca 0.57 0.01 0.02 0.00 -1.56 0.00 0.00 55.97 55.00 1wii s LYS 14 Cb -0.39 -3.12 0.20 0.00 -1.46 0.00 0.00 37.83 33.06 1wii s LYS 14 CO 0.41 0.67 0.68 0.15 0.16 0.00 0.00 175.35 177.43 1wii s LYS 15 N -1.53 0.48 0.32 4.03 1.02 -1.26 -5.17 119.74 117.64 1wii s LYS 15 Ca 0.25 0.55 0.06 0.00 0.02 0.00 0.00 55.97 56.85 1wii s LYS 15 Cb -0.14 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.43 1wii s LYS 15 CO 0.13 -0.83 0.43 -1.64 -0.92 0.00 0.00 175.35 172.52 1wii s MET 16 N 2.86 3.11 0.62 1.68 -1.94 -1.26 -5.00 119.30 119.37 1wii s MET 16 Ca 0.14 -1.01 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1wii s MET 16 Cb -0.10 -2.78 0.00 0.00 2.01 0.00 0.00 34.83 33.96 1wii s MET 16 CO -0.24 0.12 0.00 2.41 -0.01 0.00 0.00 175.02 177.30 1wii n THR 17 N -1.57 -2.13 -3.82 2.05 -1.04 -1.26 -5.07 114.28 101.44 1wii n THR 17 Ca -0.02 1.27 -0.08 0.00 -2.04 0.00 0.00 64.05 63.19 1wii n THR 17 Cb 0.58 -2.05 0.02 0.00 -1.82 0.00 0.00 70.33 67.06 1wii n THR 17 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wii s GLY 18 N -6.24 0.34 -0.06 3.41 0.00 -1.26 -5.13 107.32 98.38 1wii s GLY 18 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.05 1wii s GLY 18 CO 0.00 0.03 -0.17 -1.59 0.00 0.00 0.00 173.10 171.38 1wii s THR 19 N -2.27 1.45 -1.05 0.90 2.01 -1.26 -5.06 115.64 110.36 1wii s THR 19 Ca 0.16 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 1wii s THR 19 Cb -0.05 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.16 1wii s THR 19 CO 0.11 0.42 1.82 -0.22 -0.69 0.00 0.00 174.62 176.06 1wii s LEU 20 N 0.36 3.28 -0.10 4.42 0.20 -1.26 -4.61 118.68 120.98 1wii s LEU 20 Ca -0.12 -1.31 0.19 0.00 0.69 0.00 0.00 54.13 53.59 1wii s LEU 20 Cb -0.15 -2.57 0.43 0.00 -0.43 0.00 0.00 46.19 43.47 1wii s LEU 20 CO 0.04 -2.40 1.19 -1.84 -0.29 0.00 0.00 176.35 173.05 1wii n GLU 21 N 8.65 0.74 -2.60 1.98 0.28 -1.26 -4.97 120.64 123.46 1wii n GLU 21 Ca 0.41 -2.60 -0.13 0.00 -0.16 0.00 0.00 57.16 54.68 1wii n GLU 21 Cb 0.48 -0.74 -0.02 0.00 1.43 0.00 0.00 31.44 32.58 1wii n GLU 21 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wii n THR 22 N -0.23 0.00 -3.84 3.84 -2.24 -1.26 -4.82 114.28 105.74 1wii n THR 22 Ca 0.12 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.78 1wii n THR 22 Cb 0.94 -0.15 -0.10 0.00 -2.10 0.00 0.00 70.33 68.93 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 -4.21 0.43 0.27 -0.78 -0.21 -1.26 -4.40 119.66 109.51 1wii s GLN 23 Ca 0.24 -0.16 -0.21 0.00 0.02 0.00 0.00 55.36 55.26 1wii s GLN 23 Cb -0.14 0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.09 1wii s GLN 23 CO 0.30 -0.10 0.77 -0.06 -2.12 0.00 0.00 175.29 174.09 1wii s PHE 24 N -0.91 -0.14 0.32 0.91 0.08 -1.26 -5.01 117.98 111.97 1wii s PHE 24 Ca -0.10 -0.32 -0.17 0.00 0.12 0.00 0.00 56.93 56.46 1wii s PHE 24 Cb -0.05 0.72 -0.09 0.00 -0.57 0.00 0.00 43.02 43.02 1wii s PHE 24 CO 0.02 -1.21 0.76 0.99 -0.10 0.00 0.00 175.22 175.68 1wii s THR 25 N -3.59 4.62 -0.19 0.64 2.01 -1.19 -3.01 115.64 114.93 1wii s THR 25 Ca 0.12 1.08 -0.07 0.00 0.31 0.00 0.00 61.69 63.13 1wii s THR 25 Cb -0.05 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1wii s THR 25 CO 0.07 -0.13 0.05 0.00 -0.69 0.00 0.00 174.62 173.92 1wii h PRO 27 N 7.04 0.01 0.22 0.00 0.13 -1.97 0.36 132.00 137.78 1wii h PRO 27 Ca -0.36 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1wii h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wii h PRO 27 CO 0.66 0.49 -0.10 0.74 -0.23 0.00 0.00 178.00 179.56 1wii h PHE 28 N 0.01 -0.27 0.00 1.56 -1.00 -2.01 -3.41 116.94 111.83 1wii h PHE 28 Ca -0.00 -0.01 -0.42 0.00 2.81 0.00 0.00 57.97 60.35 1wii h PHE 28 Cb 0.86 0.09 -0.06 0.00 3.61 0.00 0.00 35.95 40.45 1wii h PHE 28 CO 0.00 -0.17 -2.33 0.00 -1.61 0.00 0.00 178.31 174.21 1wii n ASN 30 N -4.14 -3.19 -1.62 0.00 4.13 0.13 -4.99 115.26 105.58 1wii n ASN 30 Ca -0.50 0.20 -0.16 0.00 1.68 0.00 0.00 54.58 55.81 1wii n ASN 30 Cb 0.87 -1.86 0.11 0.00 -1.54 0.00 0.00 39.78 37.36 1wii n ASN 30 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1wii n HIS 31 N -0.15 1.95 0.00 3.10 -0.00 -1.26 -4.91 115.22 113.96 1wii n HIS 31 Ca 0.01 -2.06 0.00 0.00 0.46 0.00 0.00 57.72 56.13 1wii n HIS 31 Cb 0.04 -0.56 0.00 0.00 -0.12 0.00 0.00 29.99 29.35 1wii n HIS 31 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1wii n GLU 32 N -0.94 0.00 -3.14 1.57 2.13 -1.26 -4.06 120.64 114.95 1wii n GLU 32 Ca 0.41 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 58.03 1wii n GLU 32 Cb 0.92 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.58 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 0.00 0.49 -3.01 5.31 4.76 -1.26 -3.16 118.16 121.29 1wii n LYS 33 Ca 0.00 -2.81 -0.23 0.00 -2.87 0.00 0.00 58.31 52.40 1wii n LYS 33 Cb 0.00 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.70 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1wii n SER 34 N 2.22 2.96 -3.87 4.39 7.64 -1.16 -4.80 113.62 121.00 1wii n SER 34 Ca 0.22 -3.39 -0.10 0.00 1.01 0.00 0.00 58.87 56.62 1wii n SER 34 Cb 0.53 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 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 -2.92 0.03 -0.22 0.00 -4.77 -0.48 -4.29 116.67 104.02 1wii s ASP 36 Ca 0.13 0.15 -0.09 0.00 -3.30 0.00 0.00 52.55 49.44 1wii s ASP 36 Cb 0.02 0.04 -0.04 0.00 -1.09 0.00 0.00 42.92 41.85 1wii s ASP 36 CO -0.03 -0.14 0.12 -0.69 0.70 0.00 0.00 175.17 175.13 1wii s VAL 37 N 1.16 5.08 -0.52 2.11 1.01 -1.26 -2.21 120.40 125.78 1wii s VAL 37 Ca -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1wii s VAL 37 Cb -0.12 -3.34 0.13 0.00 0.00 0.00 0.00 36.38 33.05 1wii s VAL 37 CO -0.04 0.39 0.39 -0.54 0.00 0.00 0.00 175.10 175.29 1wii s LYS 38 N 0.84 2.57 -0.88 2.72 1.02 0.35 -4.98 119.74 121.38 1wii s LYS 38 Ca 0.06 -1.91 -0.25 0.00 0.02 0.00 0.00 55.97 53.89 1wii s LYS 38 Cb -0.13 -3.94 0.04 0.00 -0.52 0.00 0.00 37.83 33.28 1wii s LYS 38 CO 0.03 -1.20 1.37 -1.64 -0.92 0.00 0.00 175.35 172.98 1wii s MET 39 N 1.09 3.40 -0.58 1.68 -1.94 -1.26 -1.29 119.30 120.40 1wii s MET 39 Ca 0.08 -0.70 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1wii s MET 39 Cb -0.24 -4.79 0.06 0.00 2.01 0.00 0.00 34.83 31.87 1wii s MET 39 CO -0.02 -2.18 0.87 0.34 -0.01 0.00 0.00 175.02 174.03 1wii s ASP 40 N 4.38 6.26 -0.01 3.03 -1.08 -1.20 -4.93 116.67 123.12 1wii s ASP 40 Ca 0.41 -0.72 -0.19 0.00 -0.52 0.00 0.00 52.55 51.53 1wii s ASP 40 Cb -0.04 -2.39 -0.10 0.00 -1.46 0.00 0.00 42.92 38.92 1wii s ASP 40 CO 0.02 -1.22 0.81 0.03 0.52 0.00 0.00 175.17 175.33 1wii h ARG 41 N 9.32 -0.65 -1.23 4.34 2.47 -1.93 0.82 114.38 127.53 1wii h ARG 41 Ca -0.27 0.04 0.39 0.00 -1.26 0.00 0.00 59.98 58.88 1wii h ARG 41 Cb 1.08 0.15 -0.12 0.00 -1.65 0.00 0.00 29.97 29.42 1wii h ARG 41 CO 1.09 -0.43 0.78 0.00 0.56 0.00 0.00 179.97 181.97 1wii h ALA 42 N -1.25 2.56 0.00 0.04 0.00 -1.98 1.12 119.26 119.75 1wii h ALA 42 Ca -0.07 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wii h ALA 42 Cb 0.52 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1wii h ALA 42 CO 0.11 -1.14 -1.34 0.54 0.00 0.00 0.00 179.25 177.42 1wii n ARG 43 N -4.71 0.61 -2.58 0.00 3.00 -1.21 -4.97 116.66 106.81 1wii n ARG 43 Ca 0.34 0.01 -0.20 0.00 -0.01 0.00 0.00 57.85 57.99 1wii n ARG 43 Cb 1.27 -1.72 0.01 0.00 0.00 0.00 0.00 32.46 32.02 1wii n ARG 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1wii n ASN 44 N -2.51 -5.69 -3.68 0.55 4.13 0.39 -4.95 115.26 103.49 1wii n ASN 44 Ca -0.01 -0.11 -0.19 0.00 1.68 0.00 0.00 54.58 55.95 1wii n ASN 44 Cb 0.55 -4.65 -0.18 0.00 -1.54 0.00 0.00 39.78 33.96 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 -3.03 -0.11 -0.20 3.41 2.01 -0.61 -0.29 115.64 116.81 1wii s THR 45 Ca 0.10 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 1wii s THR 45 Cb -0.04 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1wii s THR 45 CO 0.12 0.17 0.74 -0.83 -0.69 0.00 0.00 174.62 174.13 1wii s GLY 46 N 2.09 1.97 -0.23 4.40 0.00 0.39 -3.21 107.32 112.73 1wii s GLY 46 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 44.72 44.54 1wii s GLY 46 CO -0.03 1.55 0.01 0.14 0.00 0.00 0.00 173.10 174.77 1wii s VAL 47 N 2.26 3.84 0.28 1.40 1.01 -0.41 -1.73 120.40 127.05 1wii s VAL 47 Ca 0.33 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1wii s VAL 47 Cb -0.16 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1wii s VAL 47 CO 0.10 0.39 0.18 -0.51 0.00 0.00 0.00 175.10 175.26 1wii s ILE 48 N 1.46 3.92 0.15 2.22 2.07 -0.47 -0.50 121.20 130.05 1wii s ILE 48 Ca 0.05 -1.51 -0.23 0.00 -1.41 0.00 0.00 60.65 57.55 1wii s ILE 48 Cb -0.15 -3.22 0.07 0.00 0.13 0.00 0.00 42.46 39.30 1wii s ILE 48 CO 0.00 -0.30 0.60 -0.94 -1.91 0.00 0.00 174.94 172.39 1wii s SER 49 N -3.85 -0.56 0.26 4.50 1.04 -0.94 -0.68 113.70 113.47 1wii s SER 49 Ca 0.35 0.02 0.06 0.00 0.48 0.00 0.00 55.95 56.86 1wii s SER 49 Cb -0.07 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1wii s SER 49 CO 0.24 -0.95 0.31 0.00 0.98 0.00 0.00 173.24 173.82 1wii n THR 51 N -1.36 2.26 0.00 0.00 -2.24 -0.02 -4.24 114.28 108.67 1wii n THR 51 Ca -0.07 -4.22 0.00 0.00 -2.27 0.00 0.00 64.05 57.49 1wii n THR 51 Cb 0.58 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.59 0.00 0.60 2.28 0.31 -1.26 -4.92 118.33 114.74 1wii n VAL 52 Ca 0.36 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.78 1wii n VAL 52 Cb 0.85 -0.01 -0.11 0.00 -0.91 0.00 0.00 33.84 33.67 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 -1.62 -3.66 -4.80 0.00 4.77 -1.26 -5.07 117.00 105.37 1wii n LEU 54 Ca 0.01 -0.32 -0.26 0.00 -0.03 0.00 0.00 56.01 55.42 1wii n LEU 54 Cb 0.33 -1.73 -0.05 0.00 -2.33 0.00 0.00 43.42 39.63 1wii n LEU 54 CO 0.37 0.04 -0.10 -1.61 -1.33 0.00 0.00 177.39 174.75 1wii s GLU 55 N -3.62 2.24 -0.16 3.23 0.41 -1.26 -4.94 118.70 114.61 1wii s GLU 55 Ca 0.21 -1.97 -0.30 0.00 -0.41 0.00 0.00 54.97 52.50 1wii s GLU 55 Cb -0.03 -1.97 0.12 0.00 -1.78 0.00 0.00 34.13 30.48 1wii s GLU 55 CO 0.33 -0.30 0.96 -2.00 -0.49 0.00 0.00 175.26 173.76 1wii s GLU 56 N -4.02 0.65 0.08 1.61 2.12 -1.26 -2.03 118.70 115.85 1wii s GLU 56 Ca 0.34 0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.76 1wii s GLU 56 Cb 0.01 0.31 0.01 0.00 0.26 0.00 0.00 34.13 34.72 1wii s GLU 56 CO 0.19 -0.19 0.24 0.12 -0.54 0.00 0.00 175.26 175.08 1wii s PHE 57 N -1.01 0.04 0.06 5.30 5.36 0.14 -4.96 117.98 122.92 1wii s PHE 57 Ca -0.03 -0.38 0.06 0.00 -0.96 0.00 0.00 56.93 55.63 1wii s PHE 57 Cb -0.01 0.02 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 1wii s PHE 57 CO 0.02 -0.55 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.40 1wii s GLN 58 N -3.48 1.10 -0.24 10.12 -0.21 -1.26 -1.37 119.66 124.32 1wii s GLN 58 Ca 0.02 -0.95 -0.26 0.00 0.02 0.00 0.00 55.36 54.19 1wii s GLN 58 Cb 0.03 -1.21 0.09 0.00 1.00 0.00 0.00 33.01 32.92 1wii s GLN 58 CO -0.09 0.29 0.83 -0.08 -2.12 0.00 0.00 175.29 174.12 1wii s THR 59 N -0.98 0.00 0.09 -0.19 -1.32 -0.71 -5.01 115.64 107.53 1wii s THR 59 Ca 0.04 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.21 1wii s THR 59 Cb -0.09 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.83 1wii s THR 59 CO 0.02 0.00 1.38 -2.16 -2.21 0.00 0.00 174.62 171.65 1wii s PRO 60 N 0.05 4.32 0.14 7.08 0.04 -1.26 0.15 135.00 145.52 1wii s PRO 60 Ca -0.00 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1wii s PRO 60 Cb -0.04 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1wii s PRO 60 CO -0.00 -0.45 -0.04 0.96 0.04 0.00 0.00 177.00 177.51 1wii s ILE 61 N 1.35 0.78 0.15 0.56 -5.25 0.60 -4.74 121.20 114.64 1wii s ILE 61 Ca 0.64 -1.98 0.01 0.00 -0.99 0.00 0.00 60.65 58.34 1wii s ILE 61 Cb -0.35 -1.90 -0.01 0.00 2.95 0.00 0.00 42.46 43.15 1wii s ILE 61 CO 0.30 -0.68 0.05 0.35 -1.79 0.00 0.00 174.94 173.16 1wii n THR 62 N -0.16 0.00 0.22 8.37 -2.24 -1.26 -4.05 114.28 115.15 1wii n THR 62 Ca -0.09 -0.85 0.07 0.00 -2.27 0.00 0.00 64.05 60.91 1wii n THR 62 Cb 0.62 0.30 0.49 0.00 -2.10 0.00 0.00 70.33 69.63 1wii n THR 62 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1wii h TYR 63 N 1.23 0.00 0.05 4.78 -0.00 -1.98 -2.76 116.97 118.30 1wii h TYR 63 Ca -0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.37 1wii h TYR 63 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.15 1wii h TYR 63 CO 0.00 0.27 -1.15 -0.07 -0.00 0.00 0.00 178.16 177.21 1wii h LEU 64 N 0.00 0.18 -9.72 0.10 3.38 -2.05 -3.46 115.31 103.74 1wii h LEU 64 Ca -0.00 -0.20 -0.36 0.00 0.09 0.00 0.00 57.88 57.41 1wii h LEU 64 Cb 0.60 -0.06 0.20 0.00 0.09 0.00 0.00 40.66 41.49 1wii h LEU 64 CO 0.04 1.16 -0.29 -1.20 0.09 0.00 0.00 178.44 178.23 1wii n SER 65 N -3.41 -3.18 -3.97 -0.43 7.64 -1.04 -5.06 113.62 104.17 1wii n SER 65 Ca -0.05 -0.52 -0.09 0.00 1.01 0.00 0.00 58.87 59.23 1wii n SER 65 Cb 0.98 -0.99 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 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 -4.32 0.84 0.00 1.43 2.02 -1.26 -4.90 118.70 112.52 1wii s GLU 66 Ca 0.59 -1.11 0.15 0.00 0.02 0.00 0.00 54.97 54.61 1wii s GLU 66 Cb -0.14 0.30 0.79 0.00 0.10 0.00 0.00 34.13 35.18 1wii s GLU 66 CO 0.54 -0.25 1.39 -0.35 0.02 0.00 0.00 175.26 176.61 1wii n PRO 67 N -0.04 0.28 -0.06 0.39 -0.04 -1.26 -2.61 135.00 131.65 1wii n PRO 67 Ca -0.12 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.28 1wii n PRO 67 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.22 1.61 -0.11 0.52 3.14 -1.26 -4.37 118.33 116.63 1wii n VAL 68 Ca 0.08 -0.68 -0.09 0.00 -2.96 0.00 0.00 64.34 60.69 1wii n VAL 68 Cb 0.10 -1.33 -0.01 0.00 -1.06 0.00 0.00 33.84 31.54 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 0.44 -0.90 6.55 1.82 -1.92 -2.74 116.42 119.70 1wii h ASP 69 Ca -0.47 -0.07 0.25 0.00 -0.39 0.00 0.00 57.03 56.35 1wii h ASP 69 Cb 2.02 -0.11 -0.14 0.00 0.68 0.00 0.00 39.33 41.78 1wii h ASP 69 CO 0.02 0.38 0.28 0.58 -1.61 0.00 0.00 179.24 178.90 1wii h VAL 70 N 0.45 0.31 0.52 2.25 2.07 -1.76 -1.12 116.25 118.98 1wii h VAL 70 Ca 0.13 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1wii h VAL 70 Cb 0.04 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 1wii h VAL 70 CO -0.02 0.04 -0.49 0.22 0.02 0.00 0.00 177.57 177.34 1wii h TYR 71 N 0.22 -1.36 -0.95 1.57 3.20 -1.69 0.18 116.97 118.15 1wii h TYR 71 Ca 0.58 0.01 0.24 0.00 3.14 0.00 0.00 58.73 62.69 1wii h TYR 71 Cb 1.20 0.52 -0.12 0.00 1.54 0.00 0.00 36.73 39.86 1wii h TYR 71 CO -0.23 -0.66 0.50 0.77 -1.64 0.00 0.00 178.16 176.90 1wii h SER 72 N -1.00 0.51 0.14 -2.11 0.02 -1.26 -0.50 113.55 109.35 1wii h SER 72 Ca -0.07 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1wii h SER 72 Cb 0.86 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1wii h SER 72 CO -0.04 0.05 -0.07 0.44 -1.14 0.00 0.00 176.83 176.07 1wii h ASP 73 N 0.49 -0.16 -0.80 3.07 3.32 -0.81 -2.96 116.42 118.57 1wii h ASP 73 Ca 0.61 -0.16 0.19 0.00 0.02 0.00 0.00 57.03 57.69 1wii h ASP 73 Cb 1.16 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.63 1wii h ASP 73 CO -0.50 0.06 0.24 -0.25 -1.72 0.00 0.00 179.24 177.07 1wii h TRP 74 N -0.39 0.38 0.33 4.55 7.01 0.64 0.36 115.95 128.83 1wii h TRP 74 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1wii h TRP 74 Cb 0.31 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1wii h TRP 74 CO -0.01 -0.09 -0.32 0.82 -2.79 0.00 0.00 178.44 176.05 1wii h ILE 75 N 0.30 0.00 -0.03 2.65 1.08 -1.26 -1.91 117.51 118.34 1wii h ILE 75 Ca 0.47 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.95 1wii h ILE 75 Cb 0.85 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1wii h ILE 75 CO -0.54 0.00 0.03 0.44 -0.69 0.00 0.00 178.15 177.40 1wii h ASP 76 N -0.65 0.00 -0.30 1.72 3.32 -1.26 -0.94 116.42 118.32 1wii h ASP 76 Ca -0.04 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 1wii h ASP 76 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1wii h ASP 76 CO -0.04 0.00 0.05 0.00 -1.72 0.00 0.00 179.24 177.54 1wii h ALA 77 N 1.96 1.37 0.14 3.45 0.00 0.44 -2.03 119.26 124.60 1wii h ALA 77 Ca 0.02 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.42 1wii h ALA 77 Cb 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wii h ALA 77 CO -0.00 0.44 -1.69 0.00 0.00 0.00 0.00 179.25 178.00 1wii h GLU 79 N -0.08 0.18 -3.77 0.00 4.39 -1.22 -3.48 114.58 110.58 1wii h GLU 79 Ca -0.35 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1wii h GLU 79 Cb 1.94 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.50 1wii h GLU 79 CO 0.10 0.12 -0.66 0.45 -1.16 0.00 0.00 179.01 177.85 1wii n SER 80 N -5.14 -1.59 0.00 1.42 2.88 -0.77 -5.03 113.62 105.38 1wii n SER 80 Ca 0.04 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1wii n SER 80 Cb 0.22 -2.80 0.00 0.00 -0.75 0.00 0.00 64.21 60.89 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 0.73 -1.70 0.09 0.46 0.00 -1.26 -4.94 105.19 98.57 1wii n GLY 81 Ca -0.17 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1wii n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wii n PRO 82 N 0.00 0.48 -0.24 1.61 -0.04 -1.26 -4.30 135.00 131.26 1wii n PRO 82 Ca 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.41 1wii n PRO 82 Cb 0.00 -1.04 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1wii n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wii n SER 83 N -0.36 -0.54 -1.88 3.54 3.41 -1.26 -4.89 113.62 111.63 1wii n SER 83 Ca 0.00 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 1wii n SER 83 Cb 0.02 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 1wii n SER 83 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wii n SER 84 N -4.78 -9.50 -0.86 4.04 3.41 -1.26 -5.09 113.62 99.58 1wii n SER 84 Ca 0.03 1.36 0.11 0.00 -0.26 0.00 0.00 58.87 60.10 1wii n SER 84 Cb 0.18 -5.08 0.09 0.00 -0.26 0.00 0.00 64.21 59.14 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49