#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 -1.97 -4.51 1.61 3.41 -1.26 -4.71 113.62 106.19 1wii n SER 2 Ca 0.00 -1.14 -0.53 0.00 -0.26 0.00 0.00 58.87 56.94 1wii n SER 2 Cb 0.00 -2.19 -0.07 0.00 -0.26 0.00 0.00 64.21 61.69 1wii n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wii n SER 3 N -2.63 2.16 0.00 4.04 7.64 -1.26 -4.85 113.62 118.71 1wii n SER 3 Ca 0.01 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1wii n SER 3 Cb 0.52 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 5.88 2.17 3.78 0.23 0.00 -1.26 -5.15 105.19 110.84 1wii n GLY 4 Ca 0.37 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 1wii n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wii s SER 5 N 0.00 6.45 -0.30 1.61 0.01 -1.26 -5.07 113.70 115.15 1wii s SER 5 Ca 0.00 0.53 -0.18 0.00 1.31 0.00 0.00 55.95 57.61 1wii s SER 5 Cb 0.00 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1wii s SER 5 CO 0.00 0.21 0.54 -0.94 0.41 0.00 0.00 173.24 173.46 1wii s SER 6 N -0.12 6.41 -0.03 2.44 1.04 -1.26 -5.06 113.70 117.12 1wii s SER 6 Ca 0.16 0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.85 1wii s SER 6 Cb -0.13 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.66 1wii s SER 6 CO 0.05 -0.39 0.22 -0.83 0.98 0.00 0.00 173.24 173.26 1wii s GLY 7 N 1.64 2.22 -0.29 7.32 0.00 -1.26 -5.08 107.32 111.87 1wii s GLY 7 Ca 0.21 -0.62 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 1wii s GLY 7 CO 0.11 -0.43 0.32 1.09 0.00 0.00 0.00 173.10 174.20 1wii s ARG 8 N -1.58 3.86 0.11 2.90 1.70 -1.26 -5.07 118.95 119.61 1wii s ARG 8 Ca 0.24 -0.19 0.09 0.00 -0.47 0.00 0.00 55.73 55.40 1wii s ARG 8 Cb -0.13 -3.70 -0.04 0.00 -0.57 0.00 0.00 34.95 30.51 1wii s ARG 8 CO 0.13 -0.33 -0.21 0.15 -1.08 0.00 0.00 175.30 173.97 1wii s LYS 9 N 1.97 1.70 0.97 3.89 -0.14 -1.26 -5.14 119.74 121.73 1wii s LYS 9 Ca 0.12 -1.21 -0.12 0.00 -1.36 0.00 0.00 55.97 53.40 1wii s LYS 9 Cb -0.16 -2.06 0.17 0.00 -1.68 0.00 0.00 37.83 34.10 1wii s LYS 9 CO 0.11 0.48 1.09 -1.25 -0.76 0.00 0.00 175.35 175.02 1wii s PRO 10 N -2.06 0.67 0.00 -1.68 0.04 -1.26 -4.97 135.00 125.74 1wii s PRO 10 Ca 0.17 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 1wii s PRO 10 Cb -0.10 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 1wii s PRO 10 CO 0.09 -2.59 1.44 -1.25 0.04 0.00 0.00 177.00 174.72 1wii s PRO 11 N -4.95 4.27 0.00 0.56 0.04 -1.26 -4.89 135.00 128.76 1wii s PRO 11 Ca 0.65 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.85 1wii s PRO 11 Cb -0.18 -3.59 0.74 0.00 0.04 0.00 0.00 34.50 31.50 1wii s PRO 11 CO 0.57 -0.61 1.41 -0.35 0.04 0.00 0.00 177.00 178.07 1wii n PRO 12 N 5.49 0.19 -3.67 0.56 -0.04 -1.26 -4.73 135.00 131.54 1wii n PRO 12 Ca 0.14 0.15 -0.32 0.00 -0.04 0.00 0.00 63.50 63.43 1wii n PRO 12 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.34 1wii n PRO 12 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1wii s LYS 13 N -2.60 3.63 0.11 0.54 -2.85 -1.26 -4.91 119.74 112.40 1wii s LYS 13 Ca 0.13 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.04 1wii s LYS 13 Cb 0.10 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 32.99 1wii s LYS 13 CO 0.23 0.49 0.00 1.63 0.10 0.00 0.00 175.35 177.79 1wii n LYS 14 N 0.22 0.00 -1.84 1.78 5.02 -1.26 -5.11 118.16 116.97 1wii n LYS 14 Ca -0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 1wii n LYS 14 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.50 1wii n LYS 14 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1wii s LYS 15 N -2.00 4.16 -0.24 1.97 2.36 -1.26 -4.98 119.74 119.75 1wii s LYS 15 Ca 0.00 2.40 -0.07 0.00 -2.55 0.00 0.00 55.97 55.74 1wii s LYS 15 Cb 0.00 -4.06 -0.03 0.00 -1.05 0.00 0.00 37.83 32.69 1wii s LYS 15 CO 0.00 -0.90 0.07 0.00 1.55 0.00 0.00 175.35 176.08 1wii s MET 16 N 4.21 3.70 0.00 4.03 0.23 -1.26 -4.92 119.30 125.28 1wii s MET 16 Ca 0.81 -0.46 0.00 0.00 -1.03 0.00 0.00 55.69 55.01 1wii s MET 16 Cb -0.38 -3.32 0.00 0.00 -1.53 0.00 0.00 34.83 29.60 1wii s MET 16 CO 0.35 -0.14 0.00 -2.37 -2.03 0.00 0.00 175.02 170.83 1wii n THR 17 N 4.78 0.00 -0.18 3.16 5.66 -1.26 -5.11 114.28 121.33 1wii n THR 17 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1wii n THR 17 Cb 0.52 -0.62 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 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 3.20 -0.23 3.61 1.09 0.00 -1.26 -5.15 105.19 106.44 1wii n GLY 18 Ca 0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 46.02 45.30 1wii n GLY 18 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wii s THR 19 N -0.04 0.00 -1.01 2.61 -1.32 -1.26 -5.10 115.64 109.53 1wii s THR 19 Ca 0.00 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.33 1wii s THR 19 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 1wii s THR 19 CO 0.00 0.00 1.13 -0.76 -2.21 0.00 0.00 174.62 172.78 1wii s LEU 20 N -0.83 5.57 0.14 9.08 1.02 -1.26 -5.02 118.68 127.38 1wii s LEU 20 Ca 0.03 -2.63 -0.30 0.00 0.02 0.00 0.00 54.13 51.25 1wii s LEU 20 Cb -0.01 -2.34 -0.07 0.00 0.02 0.00 0.00 46.19 43.79 1wii s LEU 20 CO -0.03 -0.78 1.05 -1.83 0.02 0.00 0.00 176.35 174.78 1wii s GLU 21 N 1.36 4.62 -0.04 1.70 -1.05 -1.26 -4.92 118.70 119.11 1wii s GLU 21 Ca 0.32 1.61 -0.01 0.00 -0.15 0.00 0.00 54.97 56.74 1wii s GLU 21 Cb -0.06 -3.33 -0.03 0.00 -0.44 0.00 0.00 34.13 30.28 1wii s GLU 21 CO -0.07 0.09 2.30 0.25 0.95 0.00 0.00 175.26 178.78 1wii n THR 22 N 2.72 2.26 -3.74 1.83 -2.24 -1.26 -4.80 114.28 109.06 1wii n THR 22 Ca 0.03 -0.82 -0.10 0.00 -2.27 0.00 0.00 64.05 60.90 1wii n THR 22 Cb 0.47 -1.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 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 -0.02 1.04 0.10 -0.78 -0.21 -1.26 -4.65 119.66 113.88 1wii s GLN 23 Ca 0.15 -0.84 -0.25 0.00 0.02 0.00 0.00 55.36 54.45 1wii s GLN 23 Cb 0.08 0.43 0.07 0.00 1.00 0.00 0.00 33.01 34.59 1wii s GLN 23 CO -0.00 -0.39 0.61 -0.06 -2.12 0.00 0.00 175.29 173.33 1wii s PHE 24 N -3.84 -0.56 0.39 0.91 0.40 -1.26 -5.01 117.98 109.01 1wii s PHE 24 Ca 0.05 0.52 -0.24 0.00 -0.60 0.00 0.00 56.93 56.67 1wii s PHE 24 Cb 0.03 0.51 -0.09 0.00 0.51 0.00 0.00 43.02 43.97 1wii s PHE 24 CO -0.10 -0.78 1.01 0.99 0.70 0.00 0.00 175.22 177.04 1wii s THR 25 N -3.07 3.94 -0.27 0.64 2.01 -1.25 -3.24 115.64 114.40 1wii s THR 25 Ca -0.02 1.46 -0.13 0.00 0.31 0.00 0.00 61.69 63.31 1wii s THR 25 Cb -0.01 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1wii s THR 25 CO -0.07 -0.02 0.26 0.00 -0.69 0.00 0.00 174.62 174.11 1wii h PRO 27 N 8.13 0.00 0.47 0.00 0.13 -1.97 0.97 132.00 139.73 1wii h PRO 27 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1wii h PRO 27 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wii h PRO 27 CO 0.61 0.13 -0.23 0.74 -0.23 0.00 0.00 178.00 179.02 1wii h PHE 28 N 0.00 -0.58 0.00 1.56 0.04 -2.02 -3.41 116.94 112.52 1wii h PHE 28 Ca -0.00 -0.01 -0.29 0.00 2.80 0.00 0.00 57.97 60.47 1wii h PHE 28 Cb 0.59 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 38.88 1wii h PHE 28 CO 0.00 -0.36 -2.08 0.00 -0.60 0.00 0.00 178.31 175.27 1wii n ASN 30 N -3.14 -5.04 -1.45 0.00 4.13 0.34 -4.98 115.26 105.10 1wii n ASN 30 Ca -0.34 0.80 -0.12 0.00 1.68 0.00 0.00 54.58 56.60 1wii n ASN 30 Cb 0.85 -3.41 0.11 0.00 -1.54 0.00 0.00 39.78 35.79 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 0.43 1.64 0.00 3.10 -0.00 -1.26 -4.94 115.22 114.19 1wii n HIS 31 Ca -0.02 -1.95 0.00 0.00 0.46 0.00 0.00 57.72 56.22 1wii n HIS 31 Cb 0.03 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.49 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 -0.92 0.00 -3.13 1.57 2.13 -1.26 -4.23 120.64 114.80 1wii n GLU 32 Ca 0.35 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.98 1wii n GLU 32 Cb 0.87 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.53 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 0.45 -3.46 5.31 4.76 -1.26 -3.96 118.16 120.01 1wii n LYS 33 Ca 0.00 -2.77 -0.26 0.00 -2.87 0.00 0.00 58.31 52.41 1wii n LYS 33 Cb 0.00 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.60 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 2.39 1.26 -3.68 4.39 7.64 -1.20 -4.84 113.62 119.58 1wii n SER 34 Ca 0.23 -2.84 -0.11 0.00 1.01 0.00 0.00 58.87 57.15 1wii n SER 34 Cb 0.53 -0.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.99 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 0.89 3.85 -0.23 0.00 -1.08 0.13 -4.03 116.67 116.20 1wii s ASP 36 Ca -0.05 -0.39 -0.08 0.00 -0.52 0.00 0.00 52.55 51.51 1wii s ASP 36 Cb -0.05 -1.59 -0.04 0.00 -1.46 0.00 0.00 42.92 39.78 1wii s ASP 36 CO -0.07 0.13 0.09 -0.69 0.52 0.00 0.00 175.17 175.14 1wii s VAL 37 N 0.55 4.65 -0.49 1.11 1.01 -1.26 -1.20 120.40 124.77 1wii s VAL 37 Ca -0.09 -0.06 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1wii s VAL 37 Cb -0.16 -3.16 0.13 0.00 0.00 0.00 0.00 36.38 33.19 1wii s VAL 37 CO 0.04 0.36 0.38 -0.54 0.00 0.00 0.00 175.10 175.34 1wii s LYS 38 N 1.23 2.56 -0.86 2.72 1.02 0.11 -4.97 119.74 121.55 1wii s LYS 38 Ca 0.05 -1.81 -0.25 0.00 0.02 0.00 0.00 55.97 53.98 1wii s LYS 38 Cb -0.14 -3.97 0.04 0.00 -0.52 0.00 0.00 37.83 33.23 1wii s LYS 38 CO 0.04 -1.21 1.36 -1.64 -0.92 0.00 0.00 175.35 172.97 1wii s MET 39 N 1.30 3.37 -0.49 1.68 -1.94 -1.26 -1.42 119.30 120.54 1wii s MET 39 Ca 0.06 -0.63 -0.22 0.00 -1.71 0.00 0.00 55.69 53.20 1wii s MET 39 Cb -0.26 -4.70 0.04 0.00 2.01 0.00 0.00 34.83 31.92 1wii s MET 39 CO -0.01 -2.18 0.75 0.34 -0.01 0.00 0.00 175.02 173.92 1wii s ASP 40 N 4.29 6.33 -0.11 3.03 -1.08 -1.19 -4.93 116.67 123.01 1wii s ASP 40 Ca 0.40 -0.41 -0.09 0.00 -0.52 0.00 0.00 52.55 51.93 1wii s ASP 40 Cb -0.04 -2.36 -0.08 0.00 -1.46 0.00 0.00 42.92 38.97 1wii s ASP 40 CO 0.04 -0.96 0.27 0.03 0.52 0.00 0.00 175.17 175.08 1wii h ARG 41 N 9.04 -0.03 -0.87 4.34 2.47 -1.93 0.46 114.38 127.86 1wii h ARG 41 Ca -0.26 0.00 0.32 0.00 -1.26 0.00 0.00 59.98 58.78 1wii h ARG 41 Cb 1.09 0.01 -0.16 0.00 -1.65 0.00 0.00 29.97 29.26 1wii h ARG 41 CO 0.98 0.26 0.30 0.00 0.56 0.00 0.00 179.97 182.07 1wii n ALA 42 N -2.72 0.73 0.10 0.04 0.00 -1.26 0.13 120.51 117.53 1wii n ALA 42 Ca -0.03 0.90 0.11 0.00 0.00 0.00 0.00 53.44 54.41 1wii n ALA 42 Cb 0.15 -0.81 -0.16 0.00 0.00 0.00 0.00 19.45 18.63 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 -5.07 0.59 -3.24 0.00 5.12 -1.25 -5.00 116.66 107.81 1wii n ARG 43 Ca 0.28 -0.17 -0.16 0.00 -1.93 0.00 0.00 57.85 55.87 1wii n ARG 43 Cb 0.95 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.81 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 -2.16 -4.04 -3.67 0.55 4.13 0.35 -4.95 115.26 105.48 1wii n ASN 44 Ca -0.03 -0.44 -0.23 0.00 1.68 0.00 0.00 54.58 55.57 1wii n ASN 44 Cb 0.53 -3.98 -0.18 0.00 -1.54 0.00 0.00 39.78 34.61 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 -3.26 0.01 -0.10 3.41 2.01 0.03 -0.79 115.64 116.96 1wii s THR 45 Ca 0.27 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.14 1wii s THR 45 Cb -0.12 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 1wii s THR 45 CO 0.56 0.03 0.93 -0.83 -0.69 0.00 0.00 174.62 174.62 1wii s GLY 46 N 2.11 2.39 -0.18 4.40 0.00 0.49 -3.20 107.32 113.33 1wii s GLY 46 Ca 0.04 0.29 -0.00 0.00 0.00 0.00 0.00 44.72 45.04 1wii s GLY 46 CO -0.05 1.75 -0.15 0.14 0.00 0.00 0.00 173.10 174.78 1wii s VAL 47 N 1.79 2.50 0.28 1.40 1.01 -0.51 -0.81 120.40 126.06 1wii s VAL 47 Ca 0.45 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1wii s VAL 47 Cb -0.18 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1wii s VAL 47 CO 0.18 0.51 0.28 -0.51 0.00 0.00 0.00 175.10 175.55 1wii s ILE 48 N 1.19 4.32 0.22 2.22 2.07 -0.62 0.10 121.20 130.69 1wii s ILE 48 Ca 0.02 -1.28 -0.18 0.00 -1.41 0.00 0.00 60.65 57.80 1wii s ILE 48 Cb -0.14 -3.43 0.03 0.00 0.13 0.00 0.00 42.46 39.05 1wii s ILE 48 CO -0.07 -0.28 0.57 -0.94 -1.91 0.00 0.00 174.94 172.31 1wii s SER 49 N -3.94 -0.27 0.37 4.50 1.04 -0.34 -1.03 113.70 114.03 1wii s SER 49 Ca 0.36 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 56.36 1wii s SER 49 Cb -0.08 0.61 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1wii s SER 49 CO 0.27 -1.12 0.12 0.00 0.98 0.00 0.00 173.24 173.49 1wii n THR 51 N -1.13 1.72 0.00 0.00 -2.24 -1.18 -4.37 114.28 107.08 1wii n THR 51 Ca -0.03 -2.87 0.00 0.00 -2.27 0.00 0.00 64.05 58.89 1wii n THR 51 Cb 0.63 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.68 0.00 0.24 2.28 0.31 -1.26 -4.90 118.33 114.33 1wii n VAL 52 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.63 1wii n VAL 52 Cb 0.84 -0.22 -0.10 0.00 -0.91 0.00 0.00 33.84 33.44 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 -2.18 -3.75 0.00 0.00 4.77 -1.26 -5.07 117.00 109.51 1wii n LEU 54 Ca -0.01 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.45 1wii n LEU 54 Cb 0.51 -1.80 -0.01 0.00 -2.33 0.00 0.00 43.42 39.79 1wii n LEU 54 CO 0.43 0.05 -0.00 -1.84 -1.33 0.00 0.00 177.39 174.70 1wii n GLU 55 N -2.33 1.02 -3.63 3.23 -0.00 -1.26 -4.96 120.64 112.71 1wii n GLU 55 Ca -0.03 -2.28 -0.07 0.00 -0.00 0.00 0.00 57.16 54.77 1wii n GLU 55 Cb 0.56 0.34 -0.06 0.00 -0.00 0.00 0.00 31.44 32.27 1wii n GLU 55 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1wii s GLU 56 N -3.40 0.39 0.05 3.44 2.12 -1.26 -3.29 118.70 116.75 1wii s GLU 56 Ca 0.15 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.82 1wii s GLU 56 Cb -0.01 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.53 1wii s GLU 56 CO 0.10 -0.07 -0.03 0.12 -0.54 0.00 0.00 175.26 174.84 1wii s PHE 57 N -0.16 0.51 0.08 5.30 5.36 -0.20 -4.99 117.98 123.89 1wii s PHE 57 Ca 0.04 -1.05 0.07 0.00 -0.96 0.00 0.00 56.93 55.02 1wii s PHE 57 Cb -0.04 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.23 1wii s PHE 57 CO -0.07 -0.38 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.49 1wii s GLN 58 N -3.86 1.01 -0.24 10.12 -0.21 -1.26 -1.59 119.66 123.62 1wii s GLN 58 Ca 0.06 -1.03 -0.26 0.00 0.02 0.00 0.00 55.36 54.16 1wii s GLN 58 Cb 0.08 -1.14 0.09 0.00 1.00 0.00 0.00 33.01 33.04 1wii s GLN 58 CO -0.10 0.26 0.84 -0.08 -2.12 0.00 0.00 175.29 174.09 1wii s THR 59 N -1.15 0.00 0.10 -0.19 -1.32 0.01 -4.99 115.64 108.10 1wii s THR 59 Ca 0.03 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.20 1wii s THR 59 Cb -0.10 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1wii s THR 59 CO 0.03 0.00 1.37 -2.16 -2.21 0.00 0.00 174.62 171.65 1wii s PRO 60 N 0.06 4.33 0.14 7.08 0.04 -1.26 0.18 135.00 145.58 1wii s PRO 60 Ca -0.00 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1wii s PRO 60 Cb -0.04 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 1wii s PRO 60 CO -0.00 -0.43 0.02 0.96 0.04 0.00 0.00 177.00 177.59 1wii s ILE 61 N 1.18 0.37 0.16 0.56 -5.25 0.03 -4.73 121.20 113.53 1wii s ILE 61 Ca 0.64 -1.93 0.02 0.00 -0.99 0.00 0.00 60.65 58.39 1wii s ILE 61 Cb -0.36 -2.03 -0.05 0.00 2.95 0.00 0.00 42.46 42.98 1wii s ILE 61 CO 0.30 -0.52 -0.02 0.42 -1.79 0.00 0.00 174.94 173.33 1wii s THR 62 N -3.86 0.76 0.50 8.37 -4.23 -1.26 -4.15 115.64 111.76 1wii s THR 62 Ca 0.22 -1.99 0.40 0.00 -1.18 0.00 0.00 61.69 59.15 1wii s THR 62 Cb 0.07 -2.04 0.61 0.00 1.34 0.00 0.00 72.50 72.48 1wii s THR 62 CO 0.02 -0.55 1.59 0.10 -0.54 0.00 0.00 174.62 175.23 1wii h TYR 63 N 2.73 0.26 0.11 3.99 -0.00 -1.97 1.60 116.97 123.69 1wii h TYR 63 Ca -0.37 0.01 -0.29 0.00 -0.00 0.00 0.00 58.73 58.09 1wii h TYR 63 Cb 1.20 -0.06 0.02 0.00 -0.00 0.00 0.00 36.73 37.89 1wii h TYR 63 CO 0.56 -0.13 -1.21 -0.07 -0.00 0.00 0.00 178.16 177.30 1wii h LEU 64 N 0.02 0.74 -9.09 0.10 3.38 -2.05 -3.46 115.31 104.94 1wii h LEU 64 Ca 0.89 -0.69 -0.57 0.00 0.09 0.00 0.00 57.88 57.60 1wii h LEU 64 Cb 3.20 -0.23 0.21 0.00 0.09 0.00 0.00 40.66 43.93 1wii h LEU 64 CO -0.24 1.51 -1.42 -1.20 0.09 0.00 0.00 178.44 177.18 1wii n SER 65 N -3.73 -4.56 -4.40 -0.43 7.64 0.54 -4.99 113.62 103.70 1wii n SER 65 Ca -0.12 0.40 -0.23 0.00 1.01 0.00 0.00 58.87 59.93 1wii n SER 65 Cb 0.98 -0.85 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.75 1.46 0.00 1.43 2.02 -1.26 -4.85 118.70 115.75 1wii s GLU 66 Ca 0.49 -1.56 0.15 0.00 0.02 0.00 0.00 54.97 54.07 1wii s GLU 66 Cb -0.32 -1.57 0.81 0.00 0.10 0.00 0.00 34.13 33.15 1wii s GLU 66 CO 0.74 0.31 1.38 -0.35 0.02 0.00 0.00 175.26 177.36 1wii n PRO 67 N -0.04 0.31 -0.05 0.39 -0.04 -1.26 -2.34 135.00 131.97 1wii n PRO 67 Ca -0.10 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.37 1wii n PRO 67 Cb 0.58 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.18 1.41 -0.02 0.52 3.14 -1.26 -4.39 118.33 116.56 1wii n VAL 68 Ca 0.09 -0.81 -0.13 0.00 -2.96 0.00 0.00 64.34 60.53 1wii n VAL 68 Cb 0.09 -0.70 -0.09 0.00 -1.06 0.00 0.00 33.84 32.08 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 0.08 -1.16 6.55 3.58 -1.88 -3.09 116.42 120.49 1wii h ASP 69 Ca -0.39 -0.43 0.37 0.00 0.42 0.00 0.00 57.03 57.00 1wii h ASP 69 Cb 2.06 -0.02 -0.13 0.00 1.72 0.00 0.00 39.33 42.95 1wii h ASP 69 CO 0.05 0.49 0.72 0.58 -2.88 0.00 0.00 179.24 178.20 1wii h VAL 70 N -0.34 0.24 0.44 2.25 2.07 -1.76 0.11 116.25 119.25 1wii h VAL 70 Ca 0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1wii h VAL 70 Cb 0.47 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1wii h VAL 70 CO 0.01 0.04 -0.21 0.22 0.02 0.00 0.00 177.57 177.64 1wii h TYR 71 N 0.20 -0.55 -0.12 1.57 3.20 -1.74 -1.98 116.97 117.56 1wii h TYR 71 Ca 0.76 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.66 1wii h TYR 71 Cb 2.11 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 40.50 1wii h TYR 71 CO -0.01 -0.26 -0.26 0.77 -1.64 0.00 0.00 178.16 176.76 1wii h SER 72 N -0.75 -0.81 -0.81 -2.11 0.02 -0.85 -1.44 113.55 106.81 1wii h SER 72 Ca -0.06 0.13 0.15 0.00 -0.84 0.00 0.00 61.79 61.16 1wii h SER 72 Cb 0.53 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 63.33 1wii h SER 72 CO 0.10 -0.31 0.37 0.44 -1.14 0.00 0.00 176.83 176.29 1wii h ASP 73 N -0.34 0.40 -0.74 3.07 5.19 -1.34 -0.34 116.42 122.33 1wii h ASP 73 Ca 0.10 0.10 0.06 0.00 -0.62 0.00 0.00 57.03 56.67 1wii h ASP 73 Cb 0.48 0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.99 1wii h ASP 73 CO -0.31 0.15 0.43 -0.25 -3.12 0.00 0.00 179.24 176.15 1wii h TRP 74 N 0.53 0.80 0.44 4.55 7.01 -0.48 0.37 115.95 129.16 1wii h TRP 74 Ca 0.45 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.45 1wii h TRP 74 Cb 0.66 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.47 1wii h TRP 74 CO -0.13 0.39 -0.29 0.82 -2.79 0.00 0.00 178.44 176.45 1wii h ILE 75 N 0.79 0.00 0.00 2.65 1.08 -0.42 -2.34 117.51 119.28 1wii h ILE 75 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.79 1wii h ILE 75 Cb 0.17 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.92 1wii h ILE 75 CO -0.17 0.00 -0.01 0.44 -0.69 0.00 0.00 178.15 177.72 1wii h ASP 76 N -0.69 0.00 -0.56 1.72 3.32 -1.38 -1.51 116.42 117.33 1wii h ASP 76 Ca -0.06 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1wii h ASP 76 Cb 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.08 1wii h ASP 76 CO 0.05 0.01 0.30 0.00 -1.72 0.00 0.00 179.24 177.88 1wii h ALA 77 N 1.99 1.43 0.15 3.45 0.00 0.15 -3.01 119.26 123.43 1wii h ALA 77 Ca -0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1wii h ALA 77 Cb 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.59 1wii h ALA 77 CO 0.00 0.46 -1.31 0.00 0.00 0.00 0.00 179.25 178.40 1wii n GLU 79 N -3.90 -0.07 -0.20 0.00 1.02 -0.87 0.11 120.64 116.72 1wii n GLU 79 Ca -0.21 1.32 0.01 0.00 -0.02 0.00 0.00 57.16 58.26 1wii n GLU 79 Cb 0.94 -2.02 0.09 0.00 -0.02 0.00 0.00 31.44 30.43 1wii n GLU 79 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1wii h SER 80 N 0.00 -0.33 -2.47 1.62 0.87 -1.69 -3.38 113.55 108.16 1wii h SER 80 Ca 0.45 0.16 -0.31 0.00 -1.23 0.00 0.00 61.79 60.86 1wii h SER 80 Cb 0.78 0.29 -0.35 0.00 -0.44 0.00 0.00 62.40 62.68 1wii h SER 80 CO -0.86 -0.13 -0.62 -0.83 -0.53 0.00 0.00 176.83 173.86 1wii s GLY 81 N -3.40 -0.02 0.00 5.77 0.00 0.30 -4.99 107.32 104.97 1wii s GLY 81 Ca -0.14 0.23 0.13 0.00 0.00 0.00 0.00 44.72 44.95 1wii s GLY 81 CO 0.74 2.21 1.18 -1.55 0.00 0.00 0.00 173.10 175.68 1wii n PRO 82 N 5.32 0.49 -0.22 2.90 -0.04 -1.17 -3.66 135.00 138.62 1wii n PRO 82 Ca -0.05 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1wii n PRO 82 Cb 0.49 -1.41 0.14 0.00 -0.04 0.00 0.00 33.50 32.68 1wii n PRO 82 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wii h SER 83 N 0.00 -0.01 -1.88 3.54 0.87 -1.94 -3.43 113.55 110.70 1wii h SER 83 Ca 0.00 0.13 -0.59 0.00 -1.23 0.00 0.00 61.79 60.10 1wii h SER 83 Cb 0.00 0.18 0.17 0.00 -0.44 0.00 0.00 62.40 62.31 1wii h SER 83 CO 0.00 -0.01 -1.08 -1.20 -0.53 0.00 0.00 176.83 174.01 1wii n SER 84 N -5.15 -3.39 0.00 6.23 7.64 -1.24 -5.22 113.62 112.49 1wii n SER 84 Ca 0.11 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1wii n SER 84 Cb 0.38 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64