#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 0.61 0.00 1.61 0.15 -1.26 -5.17 113.70 109.64 1wii s SER 2 Ca 0.00 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1wii s SER 2 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1wii s SER 2 CO 0.00 -0.70 0.00 -0.24 1.20 0.00 0.00 173.24 173.50 1wii n SER 3 N -0.19 0.00 0.11 5.45 2.88 -1.26 -5.11 113.62 115.50 1wii n SER 3 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wii n SER 3 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1wii n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wii n GLY 4 N -0.28 -0.37 1.25 0.46 0.00 -1.26 -5.17 105.19 99.83 1wii n GLY 4 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.16 -6.77 0.00 1.61 2.88 -1.26 -5.05 113.62 101.88 1wii n SER 5 Ca 0.00 1.46 0.00 0.00 -1.33 0.00 0.00 58.87 59.00 1wii n SER 5 Cb 0.00 -3.97 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 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 -2.74 0.00 0.00 -3.46 7.64 -1.26 -5.17 113.62 108.63 1wii n SER 6 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1wii n SER 6 Cb 0.43 0.38 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1wii n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wii n GLY 7 N -1.11 -0.46 1.78 0.23 0.00 -1.26 -5.09 105.19 99.27 1wii n GLY 7 Ca 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 0.00 -5.00 -3.15 1.61 1.74 -1.26 -5.05 116.66 105.55 1wii n ARG 8 Ca 0.00 3.63 0.03 0.00 -0.77 0.00 0.00 57.85 60.74 1wii n ARG 8 Cb 0.00 -4.00 -0.00 0.00 -1.02 0.00 0.00 32.46 27.43 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 -2.41 0.59 0.50 5.56 2.20 -1.26 -5.16 119.74 119.77 1wii s LYS 9 Ca 0.00 0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.62 1wii s LYS 9 Cb 0.00 0.17 -0.07 0.00 -1.51 0.00 0.00 37.83 36.43 1wii s LYS 9 CO 0.00 -0.99 1.15 -1.25 -0.36 0.00 0.00 175.35 173.89 1wii s PRO 10 N 2.48 3.54 0.35 4.03 0.04 -1.26 -5.00 135.00 139.18 1wii s PRO 10 Ca 0.14 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.59 1wii s PRO 10 Cb -0.07 -2.19 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 1wii s PRO 10 CO -0.19 -0.71 1.21 -1.25 0.04 0.00 0.00 177.00 176.10 1wii s PRO 11 N -3.02 4.27 0.54 0.56 0.04 -1.26 -5.01 135.00 131.13 1wii s PRO 11 Ca 0.69 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 63.50 1wii s PRO 11 Cb -0.26 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.30 1wii s PRO 11 CO 0.30 -0.18 1.13 -1.25 0.04 0.00 0.00 177.00 177.05 1wii s PRO 12 N -1.95 3.37 0.69 0.56 0.04 -1.26 -4.99 135.00 131.45 1wii s PRO 12 Ca 0.52 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 1wii s PRO 12 Cb -0.34 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1wii s PRO 12 CO 0.44 -0.84 1.26 0.15 0.04 0.00 0.00 177.00 178.06 1wii s LYS 13 N -3.26 2.34 -0.13 4.56 -0.14 -1.26 -4.94 119.74 116.91 1wii s LYS 13 Ca 0.72 1.94 -0.29 0.00 -1.36 0.00 0.00 55.97 56.98 1wii s LYS 13 Cb -0.24 -1.83 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1wii s LYS 13 CO 0.27 -1.73 1.08 0.15 -0.76 0.00 0.00 175.35 174.36 1wii s LYS 14 N -3.60 4.35 -0.30 1.68 1.02 -1.26 -4.99 119.74 116.64 1wii s LYS 14 Ca 0.79 1.47 0.05 0.00 0.02 0.00 0.00 55.97 58.30 1wii s LYS 14 Cb -0.34 -3.59 0.18 0.00 -0.52 0.00 0.00 37.83 33.57 1wii s LYS 14 CO 0.42 -0.45 0.53 0.15 -0.92 0.00 0.00 175.35 175.08 1wii s LYS 15 N 2.45 0.54 0.45 1.68 1.02 -1.26 -5.16 119.74 119.46 1wii s LYS 15 Ca 0.50 0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.87 1wii s LYS 15 Cb -0.19 0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.15 1wii s LYS 15 CO 0.16 -1.06 0.47 0.00 -0.92 0.00 0.00 175.35 173.99 1wii s MET 16 N 2.62 2.51 -0.26 1.68 0.23 -1.26 -5.11 119.30 119.72 1wii s MET 16 Ca 0.11 -1.57 -0.06 0.00 -1.03 0.00 0.00 55.69 53.14 1wii s MET 16 Cb -0.10 -2.43 -0.01 0.00 -1.53 0.00 0.00 34.83 30.76 1wii s MET 16 CO -0.25 -0.35 0.03 0.95 -2.03 0.00 0.00 175.02 173.37 1wii s THR 17 N -2.52 3.81 -0.79 3.16 -4.23 -1.26 -5.06 115.64 108.76 1wii s THR 17 Ca 0.49 -0.51 -0.22 0.00 -1.18 0.00 0.00 61.69 60.27 1wii s THR 17 Cb -0.04 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1wii s THR 17 CO 0.29 0.26 1.10 -0.83 -0.54 0.00 0.00 174.62 174.90 1wii s GLY 18 N 1.51 1.48 0.95 3.99 0.00 -1.26 -5.02 107.32 108.98 1wii s GLY 18 Ca 0.04 -2.12 -0.14 0.00 0.00 0.00 0.00 44.72 42.50 1wii s GLY 18 CO 0.01 2.17 1.30 -0.51 0.00 0.00 0.00 173.10 176.07 1wii s THR 19 N 3.91 2.00 -0.63 0.90 -4.23 -1.26 -4.50 115.64 111.83 1wii s THR 19 Ca 0.29 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.66 1wii s THR 19 Cb -0.11 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.85 1wii s THR 19 CO 0.02 0.00 0.29 -0.11 -0.54 0.00 0.00 174.62 174.29 1wii n LEU 20 N -3.69 -2.10 -1.59 4.79 0.00 -1.26 -4.95 117.00 108.20 1wii n LEU 20 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 56.01 55.89 1wii n LEU 20 Cb 0.59 -1.53 0.12 0.00 0.00 0.00 0.00 43.42 42.61 1wii n LEU 20 CO 0.43 0.13 0.59 -1.84 0.00 0.00 0.00 177.39 176.69 1wii n GLU 21 N -2.14 2.57 -1.64 1.96 0.28 -1.26 -4.92 120.64 115.48 1wii n GLU 21 Ca -0.04 -3.57 -0.01 0.00 -0.16 0.00 0.00 57.16 53.38 1wii n GLU 21 Cb 0.55 -2.03 -0.00 0.00 1.43 0.00 0.00 31.44 31.38 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 -0.95 -0.02 -4.17 3.84 -2.24 -1.26 -4.84 114.28 104.64 1wii n THR 22 Ca 0.40 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.01 1wii n THR 22 Cb 0.93 -0.13 -0.15 0.00 -2.10 0.00 0.00 70.33 68.88 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 -3.31 0.50 0.12 -0.78 -0.21 -1.25 -3.81 119.66 110.92 1wii s GLN 23 Ca 0.00 -0.17 -0.19 0.00 0.02 0.00 0.00 55.36 55.02 1wii s GLN 23 Cb 0.00 -0.50 0.05 0.00 1.00 0.00 0.00 33.01 33.56 1wii s GLN 23 CO 0.00 0.08 0.46 -0.06 -2.12 0.00 0.00 175.29 173.66 1wii s PHE 24 N 0.07 -0.32 0.52 0.91 0.08 -1.25 -4.86 117.98 113.13 1wii s PHE 24 Ca -0.00 0.10 -0.20 0.00 0.12 0.00 0.00 56.93 56.94 1wii s PHE 24 Cb -0.04 0.34 -0.07 0.00 -0.57 0.00 0.00 43.02 42.68 1wii s PHE 24 CO -0.00 -0.72 1.12 0.99 -0.10 0.00 0.00 175.22 176.51 1wii s THR 25 N -3.50 3.26 -0.27 0.64 2.01 -1.26 -3.54 115.64 112.98 1wii s THR 25 Ca 0.01 0.82 -0.07 0.00 0.31 0.00 0.00 61.69 62.75 1wii s THR 25 Cb 0.01 -3.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1wii s THR 25 CO -0.10 -0.14 0.07 0.00 -0.69 0.00 0.00 174.62 173.76 1wii n PRO 27 N 4.90 0.17 -0.04 0.00 -0.04 -1.26 0.24 135.00 138.96 1wii n PRO 27 Ca -0.15 0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 1wii n PRO 27 Cb 0.50 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 32.03 1wii n PRO 27 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wii h PHE 28 N 0.00 -0.03 0.00 0.54 -1.00 -2.02 -3.42 116.94 111.02 1wii h PHE 28 Ca 0.00 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1wii h PHE 28 Cb 0.34 0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1wii h PHE 28 CO 0.00 0.68 -1.44 0.00 -1.61 0.00 0.00 178.31 175.94 1wii n ASN 30 N -2.43 -7.06 -1.81 0.00 4.13 0.66 -4.99 115.26 103.75 1wii n ASN 30 Ca -0.12 0.41 -0.08 0.00 1.68 0.00 0.00 54.58 56.48 1wii n ASN 30 Cb 0.68 -4.74 0.07 0.00 -1.54 0.00 0.00 39.78 34.25 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 -0.46 1.38 -2.38 3.10 -0.00 -1.26 -4.94 115.22 110.66 1wii n HIS 31 Ca 0.09 -1.80 0.13 0.00 0.46 0.00 0.00 57.72 56.61 1wii n HIS 31 Cb 0.40 -0.27 -0.03 0.00 -0.12 0.00 0.00 29.99 29.97 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 -0.61 -1.99 -1.05 1.57 2.13 -1.26 -4.44 120.64 114.99 1wii n GLU 32 Ca 0.24 1.31 -0.18 0.00 0.66 0.00 0.00 57.16 59.19 1wii n GLU 32 Cb 0.89 -2.43 -0.15 0.00 0.27 0.00 0.00 31.44 30.02 1wii n GLU 32 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1wii n LYS 33 N -3.46 0.00 -2.71 5.31 -0.00 -1.26 -4.59 118.16 111.44 1wii n LYS 33 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1wii n LYS 33 Cb 0.45 -0.77 0.10 0.00 -0.00 0.00 0.00 35.03 34.80 1wii n LYS 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1wii n SER 34 N 4.57 -0.57 -3.73 -5.58 7.64 -1.23 -4.94 113.62 109.78 1wii n SER 34 Ca 0.47 -2.34 -0.14 0.00 1.01 0.00 0.00 58.87 57.88 1wii n SER 34 Cb 0.08 0.38 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.65 3.16 -0.26 0.00 2.15 -0.69 -3.78 116.67 116.60 1wii s ASP 36 Ca -0.07 -0.53 -0.10 0.00 0.43 0.00 0.00 52.55 52.28 1wii s ASP 36 Cb -0.04 -1.26 -0.04 0.00 -0.30 0.00 0.00 42.92 41.28 1wii s ASP 36 CO 0.03 0.19 0.15 -0.69 -0.17 0.00 0.00 175.17 174.68 1wii s VAL 37 N 0.19 5.04 -0.44 1.11 1.01 -1.25 -1.98 120.40 124.08 1wii s VAL 37 Ca -0.14 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 1wii s VAL 37 Cb -0.17 -3.38 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1wii s VAL 37 CO 0.07 0.29 0.37 -0.54 0.00 0.00 0.00 175.10 175.29 1wii s LYS 38 N 1.61 3.00 -0.73 2.72 -0.14 0.52 -4.97 119.74 121.75 1wii s LYS 38 Ca 0.07 -1.09 -0.19 0.00 -1.36 0.00 0.00 55.97 53.40 1wii s LYS 38 Cb -0.15 -4.03 0.12 0.00 -1.68 0.00 0.00 37.83 32.08 1wii s LYS 38 CO 0.08 -0.88 0.88 -1.64 -0.76 0.00 0.00 175.35 173.03 1wii s MET 39 N 1.77 3.29 -0.54 1.68 -1.94 -1.26 -0.84 119.30 121.46 1wii s MET 39 Ca 0.06 -1.52 -0.20 0.00 -1.71 0.00 0.00 55.69 52.32 1wii s MET 39 Cb -0.20 -4.47 0.06 0.00 2.01 0.00 0.00 34.83 32.23 1wii s MET 39 CO 0.09 -1.62 0.70 0.34 -0.01 0.00 0.00 175.02 174.53 1wii s ASP 40 N 3.44 6.23 -0.05 3.03 -1.08 -1.19 -4.93 116.67 122.13 1wii s ASP 40 Ca 0.20 -0.93 -0.21 0.00 -0.52 0.00 0.00 52.55 51.10 1wii s ASP 40 Cb -0.16 -2.32 -0.15 0.00 -1.46 0.00 0.00 42.92 38.83 1wii s ASP 40 CO 0.00 -1.01 0.87 0.03 0.52 0.00 0.00 175.17 175.59 1wii h ARG 41 N 9.10 -0.24 -0.91 4.34 2.47 -1.94 0.76 114.38 127.97 1wii h ARG 41 Ca -0.28 0.02 0.37 0.00 -1.26 0.00 0.00 59.98 58.83 1wii h ARG 41 Cb 1.09 0.05 -0.16 0.00 -1.65 0.00 0.00 29.97 29.30 1wii h ARG 41 CO 1.02 0.17 0.44 0.00 0.56 0.00 0.00 179.97 182.15 1wii n ALA 42 N -2.57 0.88 0.74 0.04 0.00 -1.26 0.18 120.51 118.53 1wii n ALA 42 Ca -0.08 0.93 0.08 0.00 0.00 0.00 0.00 53.44 54.37 1wii n ALA 42 Cb 0.26 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -5.08 1.75 -3.76 0.00 5.12 -1.23 -5.00 116.66 108.45 1wii n ARG 43 Ca 0.33 -0.20 -0.24 0.00 -1.93 0.00 0.00 57.85 55.81 1wii n ARG 43 Cb 1.12 -1.26 0.03 0.00 -1.16 0.00 0.00 32.46 31.19 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 -1.07 -2.06 -3.64 0.55 3.02 0.49 -4.91 115.26 107.65 1wii n ASN 44 Ca 0.04 -0.82 -0.23 0.00 -0.03 0.00 0.00 54.58 53.54 1wii n ASN 44 Cb 0.27 -3.98 -0.17 0.00 -0.61 0.00 0.00 39.78 35.29 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 -3.59 -0.10 -0.19 3.41 2.01 -0.02 -0.46 115.64 116.70 1wii s THR 45 Ca 0.17 0.09 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 1wii s THR 45 Cb -0.08 -0.39 -0.02 0.00 0.01 0.00 0.00 72.50 72.02 1wii s THR 45 CO 0.82 -0.09 0.77 -0.83 -0.69 0.00 0.00 174.62 174.61 1wii s GLY 46 N 2.15 2.01 -0.21 4.40 0.00 0.48 -3.19 107.32 112.97 1wii s GLY 46 Ca 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.63 1wii s GLY 46 CO -0.06 1.60 -0.07 0.14 0.00 0.00 0.00 173.10 174.70 1wii s VAL 47 N 2.24 3.19 0.24 1.40 1.01 -0.02 -0.99 120.40 127.47 1wii s VAL 47 Ca 0.35 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1wii s VAL 47 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1wii s VAL 47 CO 0.11 0.45 0.35 -0.51 0.00 0.00 0.00 175.10 175.49 1wii s ILE 48 N 1.35 5.22 0.15 2.22 2.07 0.83 -0.35 121.20 132.69 1wii s ILE 48 Ca 0.04 -1.00 -0.16 0.00 -1.41 0.00 0.00 60.65 58.13 1wii s ILE 48 Cb -0.14 -3.83 0.03 0.00 0.13 0.00 0.00 42.46 38.65 1wii s ILE 48 CO -0.04 -0.32 0.42 -0.94 -1.91 0.00 0.00 174.94 172.16 1wii s SER 49 N -3.93 -0.22 0.33 4.50 1.04 -0.84 -0.25 113.70 114.33 1wii s SER 49 Ca 0.34 -0.41 0.08 0.00 0.48 0.00 0.00 55.95 56.44 1wii s SER 49 Cb -0.09 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1wii s SER 49 CO 0.29 -0.91 0.19 0.00 0.98 0.00 0.00 173.24 173.78 1wii n THR 51 N -1.21 1.92 0.00 0.00 -2.24 0.24 -4.34 114.28 108.65 1wii n THR 51 Ca -0.03 -3.35 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 1wii n THR 51 Cb 0.60 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -0.66 0.00 0.83 2.28 0.31 -1.26 -4.91 118.33 114.92 1wii n VAL 52 Ca 0.26 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.68 1wii n VAL 52 Cb 0.88 -0.10 -0.08 0.00 -0.91 0.00 0.00 33.84 33.63 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 -1.18 -4.50 -4.66 0.00 4.77 -1.26 -5.05 117.00 105.12 1wii n LEU 54 Ca 0.04 -0.48 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 1wii n LEU 54 Cb 0.30 -2.35 -0.08 0.00 -2.33 0.00 0.00 43.42 38.95 1wii n LEU 54 CO 0.33 0.07 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.59 1wii s GLU 55 N -3.95 2.16 -0.07 3.23 0.41 -1.26 -4.93 118.70 114.30 1wii s GLU 55 Ca 0.31 -1.70 -0.28 0.00 -0.41 0.00 0.00 54.97 52.89 1wii s GLU 55 Cb -0.04 -1.99 0.06 0.00 -1.78 0.00 0.00 34.13 30.38 1wii s GLU 55 CO 0.50 0.11 0.63 -2.00 -0.49 0.00 0.00 175.26 174.02 1wii s GLU 56 N -3.76 0.98 -0.01 1.61 2.12 -1.26 -0.90 118.70 117.49 1wii s GLU 56 Ca 0.36 0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.87 1wii s GLU 56 Cb -0.00 0.46 0.01 0.00 0.26 0.00 0.00 34.13 34.86 1wii s GLU 56 CO 0.20 -0.29 0.20 0.12 -0.54 0.00 0.00 175.26 174.95 1wii s PHE 57 N -1.04 -0.05 0.06 5.30 5.36 0.65 -4.96 117.98 123.31 1wii s PHE 57 Ca -0.10 0.04 0.09 0.00 -0.96 0.00 0.00 56.93 56.00 1wii s PHE 57 Cb -0.01 0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.64 1wii s PHE 57 CO 0.08 -0.31 -0.24 -0.65 -1.46 0.00 0.00 175.22 172.65 1wii s GLN 58 N -1.26 1.80 -0.22 10.12 -0.21 -1.26 -0.12 119.66 128.51 1wii s GLN 58 Ca -0.13 -1.12 -0.27 0.00 0.02 0.00 0.00 55.36 53.86 1wii s GLN 58 Cb -0.06 -2.03 0.08 0.00 1.00 0.00 0.00 33.01 31.99 1wii s GLN 58 CO 0.02 0.51 0.75 -0.08 -2.12 0.00 0.00 175.29 174.37 1wii s THR 59 N -0.91 0.00 0.09 -0.19 -1.32 -0.16 -4.99 115.64 108.17 1wii s THR 59 Ca 0.13 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.30 1wii s THR 59 Cb -0.10 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.81 1wii s THR 59 CO 0.04 0.00 1.38 -2.16 -2.21 0.00 0.00 174.62 171.67 1wii s PRO 60 N -0.04 4.32 0.18 7.08 0.04 -1.26 0.18 135.00 145.50 1wii s PRO 60 Ca -0.02 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1wii s PRO 60 Cb -0.04 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 1wii s PRO 60 CO 0.02 -0.44 0.10 0.44 0.04 0.00 0.00 177.00 177.17 1wii n ILE 61 N 4.05 0.00 -3.83 0.56 -6.64 0.39 -4.74 119.36 109.15 1wii n ILE 61 Ca 0.11 -1.17 -0.07 0.00 -1.77 0.00 0.00 62.75 59.86 1wii n ILE 61 Cb 0.43 0.50 -0.02 0.00 -1.44 0.00 0.00 39.64 39.11 1wii n ILE 61 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1wii n THR 62 N -0.38 0.00 -0.15 7.28 -2.24 -1.26 -4.36 114.28 113.17 1wii n THR 62 Ca 0.00 -0.87 -0.08 0.00 -2.27 0.00 0.00 64.05 60.83 1wii n THR 62 Cb 0.29 0.53 0.07 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.48 1.01 -0.38 4.78 -0.00 -1.98 -3.01 116.97 118.87 1wii h TYR 63 Ca -0.13 -0.19 -0.15 0.00 -0.00 0.00 0.00 58.73 58.26 1wii h TYR 63 Cb 0.57 -0.26 -0.01 0.00 -0.00 0.00 0.00 36.73 37.03 1wii h TYR 63 CO 0.00 0.96 -0.36 -0.07 -0.00 0.00 0.00 178.16 178.69 1wii h LEU 64 N 0.83 0.96 -9.38 0.10 3.38 -2.06 -3.45 115.31 105.68 1wii h LEU 64 Ca 0.14 -0.42 -0.51 0.00 0.09 0.00 0.00 57.88 57.17 1wii h LEU 64 Cb 0.62 -0.27 0.23 0.00 0.09 0.00 0.00 40.66 41.34 1wii h LEU 64 CO 0.04 1.21 -1.47 -1.20 0.09 0.00 0.00 178.44 177.11 1wii n SER 65 N -4.06 -3.54 -4.28 -0.43 7.64 -1.14 -5.02 113.62 102.78 1wii n SER 65 Ca -0.02 0.13 -0.17 0.00 1.01 0.00 0.00 58.87 59.83 1wii n SER 65 Cb 0.53 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 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 -2.79 1.15 0.00 1.43 2.02 -1.26 -4.89 118.70 114.35 1wii s GLU 66 Ca 0.48 -1.46 0.14 0.00 0.02 0.00 0.00 54.97 54.15 1wii s GLU 66 Cb -0.12 -0.87 0.63 0.00 0.10 0.00 0.00 34.13 33.86 1wii s GLU 66 CO 0.72 0.14 1.44 -0.35 0.02 0.00 0.00 175.26 177.23 1wii n PRO 67 N -0.11 0.04 -0.02 0.39 -0.04 -1.26 -2.39 135.00 131.62 1wii n PRO 67 Ca -0.11 0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.54 1wii n PRO 67 Cb 0.60 -1.50 -0.13 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 -1.46 1.37 -0.02 0.52 3.14 -1.26 -4.26 118.33 116.36 1wii n VAL 68 Ca 0.04 -0.76 -0.13 0.00 -2.96 0.00 0.00 64.34 60.53 1wii n VAL 68 Cb 0.16 -0.80 -0.10 0.00 -1.06 0.00 0.00 33.84 32.04 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 0.02 -0.95 6.55 1.82 -1.89 -3.19 116.42 118.78 1wii h ASP 69 Ca -0.28 -0.49 0.28 0.00 -0.39 0.00 0.00 57.03 56.15 1wii h ASP 69 Cb 1.88 -0.01 -0.15 0.00 0.68 0.00 0.00 39.33 41.73 1wii h ASP 69 CO 0.06 0.51 0.41 0.58 -1.61 0.00 0.00 179.24 179.19 1wii h VAL 70 N -0.47 0.30 0.07 2.25 2.07 -1.74 0.45 116.25 119.17 1wii h VAL 70 Ca 0.00 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1wii h VAL 70 Cb 0.50 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1wii h VAL 70 CO 0.00 0.05 -0.26 0.22 0.02 0.00 0.00 177.57 177.60 1wii h TYR 71 N 0.27 -0.69 -0.24 1.57 3.20 -1.73 -1.02 116.97 118.33 1wii h TYR 71 Ca 0.66 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.60 1wii h TYR 71 Cb 1.43 0.29 -0.06 0.00 1.54 0.00 0.00 36.73 39.94 1wii h TYR 71 CO -0.13 -0.35 -0.14 0.77 -1.64 0.00 0.00 178.16 176.67 1wii h SER 72 N -0.43 -0.46 -0.56 -2.11 0.02 -0.99 -1.92 113.55 107.10 1wii h SER 72 Ca 0.04 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.19 1wii h SER 72 Cb 0.48 0.24 -0.08 0.00 0.14 0.00 0.00 62.40 63.19 1wii h SER 72 CO -0.18 -0.18 0.13 0.44 -1.14 0.00 0.00 176.83 175.91 1wii h ASP 73 N -0.12 0.04 -0.91 3.07 5.19 -1.09 0.09 116.42 122.69 1wii h ASP 73 Ca 0.13 0.10 0.19 0.00 -0.62 0.00 0.00 57.03 56.83 1wii h ASP 73 Cb 0.32 0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.88 1wii h ASP 73 CO -0.31 0.04 0.59 -0.25 -3.12 0.00 0.00 179.24 176.19 1wii h TRP 74 N 0.27 0.63 0.34 4.55 7.01 -0.40 0.20 115.95 128.55 1wii h TRP 74 Ca 0.29 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 1wii h TRP 74 Cb 0.40 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1wii h TRP 74 CO -0.23 0.17 -0.16 0.82 -2.79 0.00 0.00 178.44 176.25 1wii h ILE 75 N 0.48 0.00 -0.45 2.65 1.08 -0.66 -1.88 117.51 118.72 1wii h ILE 75 Ca 0.48 -0.05 0.09 0.00 -0.39 0.00 0.00 64.86 64.99 1wii h ILE 75 Cb 1.08 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1wii h ILE 75 CO -0.20 0.00 0.31 0.44 -0.69 0.00 0.00 178.15 178.01 1wii h ASP 76 N -0.50 0.19 0.36 1.72 3.32 -1.32 0.13 116.42 120.32 1wii h ASP 76 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 1wii h ASP 76 Cb 0.35 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1wii h ASP 76 CO 0.08 0.12 -0.23 0.00 -1.72 0.00 0.00 179.24 177.49 1wii h ALA 77 N 1.77 1.39 0.00 3.45 0.00 -0.53 0.87 119.26 126.21 1wii h ALA 77 Ca 0.21 -0.21 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1wii h ALA 77 Cb 0.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1wii h ALA 77 CO -0.04 0.29 -1.27 0.00 0.00 0.00 0.00 179.25 178.23 1wii h GLU 79 N -1.00 0.00 0.00 0.00 4.11 -0.96 -3.40 114.58 113.33 1wii h GLU 79 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1wii h GLU 79 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wii h GLU 79 CO -0.19 0.00 0.00 0.45 0.07 0.00 0.00 179.01 179.34 1wii n SER 80 N -2.93 0.00 0.00 3.06 2.88 0.27 -5.05 113.62 111.84 1wii n SER 80 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wii n SER 80 Cb 0.16 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.62 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 0.00 -1.78 3.57 0.46 0.00 -0.93 -4.37 105.19 102.14 1wii n GLY 81 Ca 0.00 0.68 -0.40 0.00 0.00 0.00 0.00 46.02 46.30 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 0.43 1.61 0.04 -1.16 -4.36 135.00 134.50 1wii s PRO 82 Ca 0.00 0.89 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 1wii s PRO 82 Cb 0.00 -4.29 -0.09 0.00 0.04 0.00 0.00 34.50 30.16 1wii s PRO 82 CO 0.00 -2.35 1.03 0.45 0.04 0.00 0.00 177.00 176.17 1wii s SER 83 N 7.07 6.67 -0.14 6.66 0.15 -1.26 -5.00 113.70 127.84 1wii s SER 83 Ca 0.70 1.95 -0.12 0.00 0.70 0.00 0.00 55.95 59.19 1wii s SER 83 Cb -0.16 -2.57 -0.06 0.00 -1.71 0.00 0.00 66.02 61.52 1wii s SER 83 CO 0.26 -0.55 -0.25 -0.24 1.20 0.00 0.00 173.24 173.65 1wii n SER 84 N -0.40 1.58 0.00 5.45 2.88 -1.26 -5.11 113.62 116.75 1wii n SER 84 Ca 0.06 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wii n SER 84 Cb 0.51 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42