#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 -0.08 0.22 1.61 0.01 -1.26 -5.18 113.70 109.02 1wii s SER 2 Ca 0.00 -0.84 0.10 0.00 1.31 0.00 0.00 55.95 56.53 1wii s SER 2 Cb 0.00 0.54 -0.05 0.00 0.21 0.00 0.00 66.02 66.72 1wii s SER 2 CO 0.00 -1.05 -0.19 -0.55 0.41 0.00 0.00 173.24 171.86 1wii s SER 3 N -2.98 3.14 -0.05 2.44 0.15 -1.26 -5.15 113.70 109.99 1wii s SER 3 Ca 0.19 -0.96 -0.02 0.00 0.70 0.00 0.00 55.95 55.86 1wii s SER 3 Cb 0.01 -0.22 0.03 0.00 -1.71 0.00 0.00 66.02 64.12 1wii s SER 3 CO 0.04 -0.01 0.10 -0.83 1.20 0.00 0.00 173.24 173.75 1wii s GLY 4 N -3.11 0.01 -0.28 9.45 0.00 -1.26 -5.14 107.32 106.98 1wii s GLY 4 Ca 0.23 0.52 -0.23 0.00 0.00 0.00 0.00 44.72 45.25 1wii s GLY 4 CO 0.10 0.83 0.97 -0.45 0.00 0.00 0.00 173.10 174.56 1wii s SER 5 N 1.04 -0.52 0.19 1.64 0.15 -1.26 -5.18 113.70 109.76 1wii s SER 5 Ca -0.08 0.95 0.09 0.00 0.70 0.00 0.00 55.95 57.61 1wii s SER 5 Cb -0.11 1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 65.18 1wii s SER 5 CO -0.04 -0.16 -0.19 -0.94 1.20 0.00 0.00 173.24 173.10 1wii s SER 6 N 0.54 2.94 0.00 5.45 1.04 -1.26 -5.14 113.70 117.28 1wii s SER 6 Ca -0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1wii s SER 6 Cb -0.05 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1wii s SER 6 CO -0.08 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1wii n GLY 7 N 0.12 2.36 3.04 7.32 0.00 -1.26 -5.18 105.19 111.59 1wii n GLY 7 Ca -0.12 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1wii n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wii s ARG 8 N -1.40 0.34 -0.72 1.61 1.70 -1.26 -5.11 118.95 114.11 1wii s ARG 8 Ca 0.00 -0.29 0.02 0.00 -0.47 0.00 0.00 55.73 54.99 1wii s ARG 8 Cb 0.00 0.14 0.18 0.00 -0.57 0.00 0.00 34.95 34.70 1wii s ARG 8 CO 0.00 -0.07 0.53 0.15 -1.08 0.00 0.00 175.30 174.83 1wii s LYS 9 N -0.98 2.62 0.01 3.89 3.01 -1.26 -5.08 119.74 121.96 1wii s LYS 9 Ca -0.11 -3.16 -0.30 0.00 -1.01 0.00 0.00 55.97 51.39 1wii s LYS 9 Cb -0.06 -3.58 -0.06 0.00 -1.01 0.00 0.00 37.83 33.12 1wii s LYS 9 CO 0.01 -1.25 1.44 -1.25 0.51 0.00 0.00 175.35 174.81 1wii s PRO 10 N -1.15 4.27 0.74 -1.68 0.04 -1.26 -5.01 135.00 130.95 1wii s PRO 10 Ca 0.24 2.02 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 1wii s PRO 10 Cb -0.10 -3.58 0.04 0.00 0.04 0.00 0.00 34.50 30.90 1wii s PRO 10 CO -0.12 -0.60 1.10 -1.25 0.04 0.00 0.00 177.00 176.17 1wii s PRO 11 N 2.45 2.43 0.42 0.56 0.04 -1.26 -5.00 135.00 134.63 1wii s PRO 11 Ca 0.65 1.24 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1wii s PRO 11 Cb -0.33 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.22 1wii s PRO 11 CO 0.27 -1.52 1.18 -1.25 0.04 0.00 0.00 177.00 175.73 1wii s PRO 12 N -4.64 3.96 0.35 0.56 0.04 -1.26 -5.04 135.00 128.97 1wii s PRO 12 Ca 0.63 1.86 -0.09 0.00 0.04 0.00 0.00 61.00 63.43 1wii s PRO 12 Cb -0.18 -2.61 0.03 0.00 0.04 0.00 0.00 34.50 31.77 1wii s PRO 12 CO 0.51 -0.41 0.62 0.15 0.04 0.00 0.00 177.00 177.92 1wii s LYS 13 N -2.40 2.02 -0.16 4.56 1.02 -1.26 -5.16 119.74 118.37 1wii s LYS 13 Ca 0.59 -1.56 -0.04 0.00 0.02 0.00 0.00 55.97 54.98 1wii s LYS 13 Cb -0.31 0.53 0.08 0.00 -0.52 0.00 0.00 37.83 37.61 1wii s LYS 13 CO 0.39 -0.89 0.23 0.15 -0.92 0.00 0.00 175.35 174.30 1wii s LYS 14 N -2.83 0.15 -0.20 1.68 1.02 -1.26 -5.14 119.74 113.16 1wii s LYS 14 Ca 0.23 0.46 -0.06 0.00 0.02 0.00 0.00 55.97 56.62 1wii s LYS 14 Cb -0.03 -0.63 -0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1wii s LYS 14 CO 0.15 -0.47 0.03 0.21 -0.92 0.00 0.00 175.35 174.35 1wii s LYS 15 N 2.35 3.73 -0.17 1.68 2.20 -1.26 -5.08 119.74 123.20 1wii s LYS 15 Ca 0.04 -0.46 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 1wii s LYS 15 Cb -0.14 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1wii s LYS 15 CO -0.10 0.06 1.03 -1.64 -0.36 0.00 0.00 175.35 174.35 1wii s MET 16 N 0.89 4.34 0.30 4.03 -1.94 -1.26 -5.03 119.30 120.63 1wii s MET 16 Ca 0.02 1.39 0.05 0.00 -1.71 0.00 0.00 55.69 55.44 1wii s MET 16 Cb -0.14 -3.59 -0.06 0.00 2.01 0.00 0.00 34.83 33.04 1wii s MET 16 CO 0.02 -0.48 0.01 0.95 -0.01 0.00 0.00 175.02 175.51 1wii s THR 17 N 2.63 1.37 0.00 2.05 -4.23 -1.26 -5.15 115.64 111.05 1wii s THR 17 Ca 0.46 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1wii s THR 17 Cb -0.17 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.03 1wii s THR 17 CO 0.12 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1wii n GLY 18 N -0.64 -0.11 1.17 3.99 0.00 -1.26 -5.04 105.19 103.31 1wii n GLY 18 Ca -0.04 -0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.04 1wii n GLY 18 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1wii n THR 19 N 0.00 -0.68 -2.34 2.61 -1.04 -1.26 -5.04 114.28 106.52 1wii n THR 19 Ca 0.00 0.73 0.00 0.00 -2.04 0.00 0.00 64.05 62.74 1wii n THR 19 Cb 0.00 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 1wii n THR 19 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1wii n LEU 20 N -3.92 0.00 -4.77 -4.42 7.94 -1.26 -5.12 117.00 105.45 1wii n LEU 20 Ca -0.07 0.00 -0.38 0.00 -1.11 0.00 0.00 56.01 54.44 1wii n LEU 20 Cb 0.56 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.45 1wii n LEU 20 CO 0.03 0.00 0.23 -1.61 -1.11 0.00 0.00 177.39 174.93 1wii s GLU 21 N 1.79 4.24 -0.20 1.96 2.02 -1.26 -4.95 118.70 122.31 1wii s GLU 21 Ca 0.00 0.62 0.15 0.00 0.02 0.00 0.00 54.97 55.76 1wii s GLU 21 Cb 0.00 -3.33 0.35 0.00 0.10 0.00 0.00 34.13 31.25 1wii s GLU 21 CO 0.00 0.41 1.26 0.25 0.02 0.00 0.00 175.26 177.20 1wii n THR 22 N 2.64 0.32 -3.63 3.63 -2.24 -1.26 -4.71 114.28 109.04 1wii n THR 22 Ca -0.08 -1.27 -0.05 0.00 -2.27 0.00 0.00 64.05 60.38 1wii n THR 22 Cb 0.51 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.92 0.61 0.13 -0.78 -0.21 -1.26 -4.20 119.66 113.03 1wii s GLN 23 Ca 0.15 1.17 -0.04 0.00 0.02 0.00 0.00 55.36 56.67 1wii s GLN 23 Cb 0.31 0.31 -0.03 0.00 1.00 0.00 0.00 33.01 34.61 1wii s GLN 23 CO -0.08 -0.15 0.12 -0.06 -2.12 0.00 0.00 175.29 173.00 1wii s PHE 24 N 1.93 0.65 0.59 0.91 0.40 -1.24 -4.97 117.98 116.24 1wii s PHE 24 Ca -0.09 -1.04 -0.17 0.00 -0.60 0.00 0.00 56.93 55.03 1wii s PHE 24 Cb -0.06 -0.32 -0.04 0.00 0.51 0.00 0.00 43.02 43.11 1wii s PHE 24 CO -0.19 -0.56 1.11 0.99 0.70 0.00 0.00 175.22 177.27 1wii s THR 25 N -4.00 3.29 -0.28 0.64 2.01 -1.26 -3.19 115.64 112.85 1wii s THR 25 Ca 0.19 0.71 -0.07 0.00 0.31 0.00 0.00 61.69 62.83 1wii s THR 25 Cb 0.06 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.33 1wii s THR 25 CO -0.01 -0.27 0.07 0.00 -0.69 0.00 0.00 174.62 173.72 1wii h PRO 27 N 8.23 0.00 0.23 0.00 0.13 -1.98 0.65 132.00 139.27 1wii h PRO 27 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1wii h PRO 27 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1wii h PRO 27 CO 0.60 0.00 -0.11 0.74 -0.23 0.00 0.00 178.00 179.00 1wii h PHE 28 N 0.00 -0.29 0.03 1.56 -1.00 -2.00 -3.41 116.94 111.83 1wii h PHE 28 Ca 0.00 -0.01 -0.39 0.00 2.81 0.00 0.00 57.97 60.39 1wii h PHE 28 Cb 0.37 0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.96 1wii h PHE 28 CO 0.00 -0.18 -2.35 0.00 -1.61 0.00 0.00 178.31 174.17 1wii n ASN 30 N -3.44 -2.03 -2.28 0.00 4.13 0.23 -4.97 115.26 106.89 1wii n ASN 30 Ca -0.44 -0.09 -0.33 0.00 1.68 0.00 0.00 54.58 55.40 1wii n ASN 30 Cb 0.98 -1.17 0.07 0.00 -1.54 0.00 0.00 39.78 38.13 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 -1.51 3.16 -1.68 3.10 -0.00 -1.26 -4.95 115.22 112.07 1wii n HIS 31 Ca -0.04 -2.90 0.10 0.00 0.46 0.00 0.00 57.72 55.34 1wii n HIS 31 Cb 0.52 -1.28 -0.03 0.00 -0.12 0.00 0.00 29.99 29.09 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 -0.89 -1.49 -1.09 1.57 2.13 -1.26 -4.38 120.64 115.23 1wii n GLU 32 Ca 0.60 0.98 -0.25 0.00 0.66 0.00 0.00 57.16 59.15 1wii n GLU 32 Cb 0.72 -1.81 -0.13 0.00 0.27 0.00 0.00 31.44 30.48 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 -2.65 0.00 -2.71 5.31 5.02 -1.26 -4.43 118.16 117.44 1wii n LYS 33 Ca 0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1wii n LYS 33 Cb 0.34 -0.96 0.10 0.00 -0.02 0.00 0.00 35.03 34.49 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 6.35 -0.76 -3.88 4.39 7.64 -1.19 -4.96 113.62 121.21 1wii n SER 34 Ca 0.49 -2.28 -0.11 0.00 1.01 0.00 0.00 58.87 57.97 1wii n SER 34 Cb 0.05 0.45 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 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 -1.02 3.17 -0.32 0.00 -1.08 -0.16 -3.71 116.67 113.54 1wii s ASP 36 Ca -0.11 -0.55 -0.11 0.00 -0.52 0.00 0.00 52.55 51.25 1wii s ASP 36 Cb -0.06 -1.44 -0.02 0.00 -1.46 0.00 0.00 42.92 39.95 1wii s ASP 36 CO 0.01 0.14 0.20 -0.69 0.52 0.00 0.00 175.17 175.35 1wii s VAL 37 N 0.45 5.01 -0.60 1.11 1.01 -1.26 -1.85 120.40 124.26 1wii s VAL 37 Ca -0.16 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1wii s VAL 37 Cb -0.17 -3.55 0.15 0.00 0.00 0.00 0.00 36.38 32.80 1wii s VAL 37 CO 0.06 0.04 0.57 -0.54 0.00 0.00 0.00 175.10 175.23 1wii s LYS 38 N 1.68 3.12 -0.88 2.72 1.02 0.62 -4.96 119.74 123.06 1wii s LYS 38 Ca 0.06 -1.83 -0.25 0.00 0.02 0.00 0.00 55.97 53.96 1wii s LYS 38 Cb -0.17 -4.33 0.04 0.00 -0.52 0.00 0.00 37.83 32.85 1wii s LYS 38 CO 0.09 -1.34 1.37 -1.64 -0.92 0.00 0.00 175.35 172.91 1wii s MET 39 N 1.40 3.38 -0.57 1.68 -1.94 -1.26 -1.51 119.30 120.48 1wii s MET 39 Ca 0.07 -0.67 -0.23 0.00 -1.71 0.00 0.00 55.69 53.15 1wii s MET 39 Cb -0.25 -4.77 0.05 0.00 2.01 0.00 0.00 34.83 31.87 1wii s MET 39 CO 0.01 -2.19 0.89 0.34 -0.01 0.00 0.00 175.02 174.06 1wii s ASP 40 N 4.40 6.27 -0.06 3.03 -1.08 -1.19 -4.92 116.67 123.12 1wii s ASP 40 Ca 0.41 -0.64 -0.11 0.00 -0.52 0.00 0.00 52.55 51.69 1wii s ASP 40 Cb -0.04 -2.40 -0.07 0.00 -1.46 0.00 0.00 42.92 38.95 1wii s ASP 40 CO 0.03 -1.22 0.47 0.03 0.52 0.00 0.00 175.17 174.99 1wii h ARG 41 N 9.32 -0.36 -0.85 4.34 2.47 -1.93 0.61 114.38 127.99 1wii h ARG 41 Ca -0.27 0.02 0.28 0.00 -1.26 0.00 0.00 59.98 58.76 1wii h ARG 41 Cb 1.08 0.08 -0.16 0.00 -1.65 0.00 0.00 29.97 29.32 1wii h ARG 41 CO 1.09 -0.21 0.19 0.00 0.56 0.00 0.00 179.97 181.60 1wii n ALA 42 N -2.74 0.60 0.18 0.04 0.00 -1.26 0.20 120.51 117.53 1wii n ALA 42 Ca -0.05 0.90 0.11 0.00 0.00 0.00 0.00 53.44 54.40 1wii n ALA 42 Cb 0.16 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -5.11 0.54 -3.34 0.00 5.12 -1.24 -4.99 116.66 107.64 1wii n ARG 43 Ca 0.25 -0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.95 1wii n ARG 43 Cb 0.83 -1.64 0.07 0.00 -1.16 0.00 0.00 32.46 30.56 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 -2.32 -3.68 -3.62 0.55 3.02 0.53 -4.93 115.26 104.80 1wii n ASN 44 Ca -0.01 -0.51 -0.20 0.00 -0.03 0.00 0.00 54.58 53.83 1wii n ASN 44 Cb 0.53 -4.49 -0.16 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.30 -0.20 -0.22 3.41 2.01 -0.00 -0.45 115.64 116.89 1wii s THR 45 Ca 0.22 0.15 -0.28 0.00 0.31 0.00 0.00 61.69 62.10 1wii s THR 45 Cb -0.10 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1wii s THR 45 CO 0.63 -0.02 0.99 -0.83 -0.69 0.00 0.00 174.62 174.71 1wii s GLY 46 N 2.24 1.76 -0.22 4.40 0.00 0.60 -3.17 107.32 112.93 1wii s GLY 46 Ca 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 44.72 44.86 1wii s GLY 46 CO -0.07 2.09 -0.07 0.14 0.00 0.00 0.00 173.10 175.19 1wii s VAL 47 N 3.03 3.05 0.37 1.40 1.01 -0.57 -1.36 120.40 127.33 1wii s VAL 47 Ca 0.42 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.76 1wii s VAL 47 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1wii s VAL 47 CO 0.07 0.37 0.37 -0.51 0.00 0.00 0.00 175.10 175.40 1wii s ILE 48 N 1.41 3.29 0.17 2.22 2.07 -0.46 -0.27 121.20 129.63 1wii s ILE 48 Ca 0.04 -1.27 -0.23 0.00 -1.41 0.00 0.00 60.65 57.78 1wii s ILE 48 Cb -0.15 -3.14 0.06 0.00 0.13 0.00 0.00 42.46 39.36 1wii s ILE 48 CO -0.05 -0.10 0.72 -0.94 -1.91 0.00 0.00 174.94 172.66 1wii s SER 49 N -4.10 -0.40 0.35 4.50 1.04 -0.77 -1.02 113.70 113.31 1wii s SER 49 Ca 0.45 -0.24 0.08 0.00 0.48 0.00 0.00 55.95 56.72 1wii s SER 49 Cb -0.06 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1wii s SER 49 CO 0.28 -1.03 0.23 0.00 0.98 0.00 0.00 173.24 173.70 1wii n THR 51 N -1.29 1.21 0.01 0.00 -2.24 0.15 -4.27 114.28 107.85 1wii n THR 51 Ca -0.02 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.40 1wii n THR 51 Cb 0.61 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.81 0.07 0.73 2.28 0.31 -1.26 -4.82 118.33 114.83 1wii n VAL 52 Ca 0.07 0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.53 1wii n VAL 52 Cb 0.47 -1.17 0.03 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.77 -4.02 -4.86 0.00 4.77 -1.26 -5.06 117.00 104.79 1wii n LEU 54 Ca 0.03 -0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 55.36 1wii n LEU 54 Cb 0.40 -2.03 -0.03 0.00 -2.33 0.00 0.00 43.42 39.43 1wii n LEU 54 CO 0.40 0.06 -0.01 -1.61 -1.33 0.00 0.00 177.39 174.90 1wii s GLU 55 N -3.82 2.28 -0.26 3.23 0.41 -1.26 -4.91 118.70 114.38 1wii s GLU 55 Ca 0.25 -1.95 -0.26 0.00 -0.41 0.00 0.00 54.97 52.60 1wii s GLU 55 Cb -0.03 -2.08 0.12 0.00 -1.78 0.00 0.00 34.13 30.36 1wii s GLU 55 CO 0.42 -0.45 1.02 -2.00 -0.49 0.00 0.00 175.26 173.75 1wii s GLU 56 N -4.17 0.53 0.05 1.61 2.12 -1.26 -1.81 118.70 115.77 1wii s GLU 56 Ca 0.35 0.52 0.00 0.00 0.36 0.00 0.00 54.97 56.20 1wii s GLU 56 Cb -0.01 0.25 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1wii s GLU 56 CO 0.21 -0.09 -0.04 0.12 -0.54 0.00 0.00 175.26 174.92 1wii s PHE 57 N -0.02 0.54 0.04 5.30 5.36 -0.19 -4.97 117.98 124.05 1wii s PHE 57 Ca 0.02 -0.81 0.07 0.00 -0.96 0.00 0.00 56.93 55.25 1wii s PHE 57 Cb -0.04 -0.36 -0.02 0.00 -0.34 0.00 0.00 43.02 42.25 1wii s PHE 57 CO -0.05 -0.24 -0.20 -0.65 -1.46 0.00 0.00 175.22 172.62 1wii s GLN 58 N -2.88 1.37 -0.23 10.12 -0.21 -1.26 -1.35 119.66 125.22 1wii s GLN 58 Ca -0.01 -0.92 -0.26 0.00 0.02 0.00 0.00 55.36 54.19 1wii s GLN 58 Cb -0.00 -1.47 0.09 0.00 1.00 0.00 0.00 33.01 32.63 1wii s GLN 58 CO -0.05 0.38 0.80 -0.08 -2.12 0.00 0.00 175.29 174.22 1wii s THR 59 N -0.79 0.00 0.18 -0.19 -1.32 -0.47 -5.00 115.64 108.05 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 -0.09 -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 1.32 -2.16 -2.21 0.00 0.00 174.62 171.58 1wii s PRO 60 N 0.00 4.38 0.20 7.08 0.04 -1.26 0.22 135.00 145.66 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 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1wii s PRO 60 CO 0.01 -0.29 0.16 0.96 0.04 0.00 0.00 177.00 177.88 1wii s ILE 61 N 0.34 0.00 0.04 0.56 -5.25 0.41 -4.69 121.20 112.62 1wii s ILE 61 Ca 0.58 -1.95 0.00 0.00 -0.99 0.00 0.00 60.65 58.30 1wii s ILE 61 Cb -0.36 -2.46 -0.03 0.00 2.95 0.00 0.00 42.46 42.56 1wii s ILE 61 CO 0.36 -0.02 -0.04 0.42 -1.79 0.00 0.00 174.94 173.87 1wii s THR 62 N -4.14 0.30 0.42 8.37 -4.23 -1.26 -4.12 115.64 110.97 1wii s THR 62 Ca 0.37 -1.35 0.34 0.00 -1.18 0.00 0.00 61.69 59.88 1wii s THR 62 Cb 0.06 -0.89 0.52 0.00 1.34 0.00 0.00 72.50 73.54 1wii s THR 62 CO 0.11 -0.68 1.33 0.00 -0.54 0.00 0.00 174.62 174.85 1wii n TYR 63 N 0.91 0.34 -0.05 3.99 0.18 -1.26 0.20 117.16 121.47 1wii n TYR 63 Ca -0.19 0.34 -0.12 0.00 1.88 0.00 0.00 57.90 59.80 1wii n TYR 63 Cb 0.57 -0.76 -0.07 0.00 -0.38 0.00 0.00 39.34 38.70 1wii n TYR 63 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1wii h LEU 64 N 0.00 0.27 -9.13 -3.48 4.07 -2.05 -3.45 115.31 101.53 1wii h LEU 64 Ca 0.77 -0.41 -0.36 0.00 0.08 0.00 0.00 57.88 57.96 1wii h LEU 64 Cb 2.78 -0.07 0.19 0.00 1.08 0.00 0.00 40.66 44.64 1wii h LEU 64 CO -0.23 0.62 -1.32 -1.20 -1.08 0.00 0.00 178.44 175.23 1wii n SER 65 N -4.69 -2.68 -4.20 -0.43 7.64 0.54 -5.03 113.62 104.76 1wii n SER 65 Ca -0.06 -0.14 -0.12 0.00 1.01 0.00 0.00 58.87 59.56 1wii n SER 65 Cb 0.28 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.66 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 -2.84 0.96 0.00 1.43 2.02 -1.26 -4.89 118.70 114.12 1wii s GLU 66 Ca 0.39 -1.42 0.15 0.00 0.02 0.00 0.00 54.97 54.10 1wii s GLU 66 Cb -0.02 -0.25 0.75 0.00 0.10 0.00 0.00 34.13 34.71 1wii s GLU 66 CO 0.51 -0.06 1.40 -0.35 0.02 0.00 0.00 175.26 176.78 1wii n PRO 67 N -0.13 0.22 -0.06 0.39 -0.04 -1.26 -2.50 135.00 131.61 1wii n PRO 67 Ca -0.10 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.38 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 -1.27 1.55 -0.00 0.52 3.14 -1.26 -4.35 118.33 116.64 1wii n VAL 68 Ca 0.07 -0.76 -0.12 0.00 -2.96 0.00 0.00 64.34 60.57 1wii n VAL 68 Cb 0.11 -1.02 -0.08 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 0.07 -1.10 6.55 3.58 -1.90 -2.92 116.42 120.71 1wii h ASP 69 Ca -0.44 -0.26 0.34 0.00 0.42 0.00 0.00 57.03 57.08 1wii h ASP 69 Cb 2.08 -0.02 -0.13 0.00 1.72 0.00 0.00 39.33 42.98 1wii h ASP 69 CO 0.04 0.31 0.68 0.58 -2.88 0.00 0.00 179.24 177.97 1wii h VAL 70 N -0.18 0.31 0.41 2.25 2.07 -1.76 0.32 116.25 119.67 1wii h VAL 70 Ca 0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1wii h VAL 70 Cb 0.28 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1wii h VAL 70 CO 0.00 0.05 -0.20 0.22 0.02 0.00 0.00 177.57 177.66 1wii h TYR 71 N 0.28 -0.51 -0.85 1.57 3.20 -1.71 -2.29 116.97 116.66 1wii h TYR 71 Ca 0.72 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.74 1wii h TYR 71 Cb 1.88 0.17 -0.10 0.00 1.54 0.00 0.00 36.73 40.22 1wii h TYR 71 CO -0.01 -0.22 0.41 1.03 -1.64 0.00 0.00 178.16 177.74 1wii h SER 72 N -0.77 0.46 -0.63 -2.11 0.87 -0.92 -0.12 113.55 110.32 1wii h SER 72 Ca -0.06 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1wii h SER 72 Cb 0.53 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1wii h SER 72 CO 0.09 0.16 0.40 0.44 -0.53 0.00 0.00 176.83 177.39 1wii h ASP 73 N 0.56 0.75 -0.88 6.23 5.19 -1.21 -2.32 116.42 124.73 1wii h ASP 73 Ca 0.48 -0.04 0.04 0.00 -0.62 0.00 0.00 57.03 56.89 1wii h ASP 73 Cb 0.74 -0.19 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 1wii h ASP 73 CO -0.40 0.57 0.58 -0.25 -3.12 0.00 0.00 179.24 176.62 1wii h TRP 74 N 0.86 1.05 0.76 4.55 7.01 -0.44 0.28 115.95 130.02 1wii h TRP 74 Ca 0.23 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.22 1wii h TRP 74 Cb -0.05 -0.35 0.01 0.00 -2.10 0.00 0.00 29.16 26.66 1wii h TRP 74 CO -0.02 0.59 -0.37 0.82 -2.79 0.00 0.00 178.44 176.67 1wii h ILE 75 N 1.07 0.00 0.00 2.65 1.08 -0.85 -1.91 117.51 119.55 1wii h ILE 75 Ca 0.36 -0.01 -0.02 0.00 -0.39 0.00 0.00 64.86 64.80 1wii h ILE 75 Cb 0.08 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 33.83 1wii h ILE 75 CO -0.12 0.00 -0.10 0.44 -0.69 0.00 0.00 178.15 177.69 1wii h ASP 76 N -1.04 0.00 -0.44 1.72 5.19 -1.37 0.17 116.42 120.65 1wii h ASP 76 Ca -0.10 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.25 1wii h ASP 76 Cb 0.78 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1wii h ASP 76 CO 0.17 0.10 0.10 0.00 -3.12 0.00 0.00 179.24 176.49 1wii h ALA 77 N 1.90 1.23 0.03 3.45 0.00 -0.21 -1.71 119.26 123.95 1wii h ALA 77 Ca -0.00 -0.21 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 1wii h ALA 77 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wii h ALA 77 CO 0.01 0.53 -1.19 0.00 0.00 0.00 0.00 179.25 178.60 1wii h GLU 79 N -0.78 0.20 -0.00 0.00 4.39 -1.02 -2.49 114.58 114.88 1wii h GLU 79 Ca -0.30 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 1wii h GLU 79 Cb 1.41 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1wii h GLU 79 CO -0.11 0.13 -0.30 1.03 -1.16 0.00 0.00 179.01 178.60 1wii h SER 80 N 0.20 0.27 -6.18 1.42 0.87 -1.48 -3.49 113.55 105.16 1wii h SER 80 Ca 0.33 -0.77 -0.19 0.00 -1.23 0.00 0.00 61.79 59.92 1wii h SER 80 Cb 0.51 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1wii h SER 80 CO -0.46 1.01 -1.03 0.61 -0.53 0.00 0.00 176.83 176.43 1wii n GLY 81 N 1.04 -0.51 0.18 5.77 0.00 -0.94 -4.86 105.19 105.87 1wii n GLY 81 Ca -0.10 0.82 0.03 0.00 0.00 0.00 0.00 46.02 46.77 1wii n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wii h PRO 82 N 2.56 0.00 0.00 1.61 0.13 -1.91 -3.30 132.00 131.09 1wii h PRO 82 Ca -0.28 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 1wii h PRO 82 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1wii h PRO 82 CO 0.15 0.41 -0.83 0.77 -0.23 0.00 0.00 178.00 178.28 1wii h SER 83 N 0.00 0.00 -3.47 1.44 0.02 -1.95 -3.50 113.55 106.09 1wii h SER 83 Ca -0.00 -0.49 0.21 0.00 -0.84 0.00 0.00 61.79 60.67 1wii h SER 83 Cb 0.81 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.09 1wii h SER 83 CO 0.05 1.22 0.86 -0.94 -1.14 0.00 0.00 176.83 176.88 1wii s SER 84 N -6.48 -0.12 0.00 3.07 1.04 -1.24 -5.29 113.70 104.68 1wii s SER 84 Ca -0.23 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1wii s SER 84 Cb 0.03 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.25 1wii s SER 84 CO 0.52 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.23