#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 -1.38 0.00 1.61 7.64 -1.26 -3.01 113.62 117.22 1wii n SER 2 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wii n SER 2 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 1wii n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wii n SER 3 N -0.68 0.00 -4.45 6.43 7.64 -1.26 -4.87 113.62 116.42 1wii n SER 3 Ca 0.09 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.52 1wii n SER 3 Cb 0.51 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.00 -0.42 3.39 0.23 0.00 -1.17 -4.84 105.19 102.39 1wii n GLY 4 Ca 0.00 1.15 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 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 8.44 -0.31 0.55 1.61 0.01 -1.26 -4.88 113.70 117.87 1wii s SER 5 Ca 1.33 -0.30 -0.01 0.00 1.31 0.00 0.00 55.95 58.27 1wii s SER 5 Cb -1.30 0.53 0.03 0.00 0.21 0.00 0.00 66.02 65.48 1wii s SER 5 CO 0.52 -0.93 0.80 -0.44 0.41 0.00 0.00 173.24 173.60 1wii s SER 6 N -2.81 5.38 0.00 2.44 0.01 -1.26 -5.11 113.70 112.34 1wii s SER 6 Ca 0.04 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1wii s SER 6 Cb 0.01 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.08 1wii s SER 6 CO -0.10 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.08 1wii n GLY 7 N -2.38 0.53 3.15 3.44 0.00 -1.26 -5.13 105.19 103.54 1wii n GLY 7 Ca 0.06 -1.66 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 1wii n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wii s ARG 8 N 0.88 0.63 -0.38 1.61 0.52 -1.26 -5.13 118.95 115.82 1wii s ARG 8 Ca 0.00 -0.62 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1wii s ARG 8 Cb 0.00 0.26 0.12 0.00 0.52 0.00 0.00 34.95 35.85 1wii s ARG 8 CO 0.00 -0.17 0.17 0.15 0.02 0.00 0.00 175.30 175.47 1wii s LYS 9 N -2.38 1.01 0.26 3.54 3.01 -1.26 -5.12 119.74 118.81 1wii s LYS 9 Ca -0.07 -1.58 -0.30 0.00 -1.01 0.00 0.00 55.97 53.01 1wii s LYS 9 Cb -0.02 -2.15 -0.09 0.00 -1.01 0.00 0.00 37.83 34.55 1wii s LYS 9 CO -0.03 -1.09 1.26 -1.25 0.51 0.00 0.00 175.35 174.75 1wii s PRO 10 N 0.92 4.43 0.36 -1.68 0.04 -1.26 -5.00 135.00 132.81 1wii s PRO 10 Ca 0.14 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1wii s PRO 10 Cb -0.21 -3.15 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1wii s PRO 10 CO -0.10 -0.13 1.21 -1.25 0.04 0.00 0.00 177.00 176.77 1wii s PRO 11 N -0.95 4.26 0.39 0.56 0.04 -1.26 -5.00 135.00 133.04 1wii s PRO 11 Ca 0.51 1.98 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 1wii s PRO 11 Cb -0.37 -2.91 -0.09 0.00 0.04 0.00 0.00 34.50 31.18 1wii s PRO 11 CO 0.44 -0.19 1.20 -1.25 0.04 0.00 0.00 177.00 177.23 1wii s PRO 12 N -1.97 4.10 -0.04 0.56 0.04 -1.26 -5.02 135.00 131.41 1wii s PRO 12 Ca 0.52 1.91 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 1wii s PRO 12 Cb -0.34 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 1wii s PRO 12 CO 0.44 -0.30 0.47 0.21 0.04 0.00 0.00 177.00 177.86 1wii s LYS 13 N -2.19 4.17 0.35 4.56 2.47 -1.26 -5.09 119.74 122.75 1wii s LYS 13 Ca 0.55 0.49 0.07 0.00 -1.56 0.00 0.00 55.97 55.53 1wii s LYS 13 Cb -0.33 -3.33 -0.02 0.00 -1.46 0.00 0.00 37.83 32.70 1wii s LYS 13 CO 0.41 0.43 0.39 -1.59 0.16 0.00 0.00 175.35 175.15 1wii s LYS 14 N -0.28 2.84 0.30 4.03 0.00 -1.26 -4.98 119.74 120.39 1wii s LYS 14 Ca 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 55.97 55.00 1wii s LYS 14 Cb -0.16 -2.61 0.00 0.00 0.00 0.00 0.00 37.83 35.06 1wii s LYS 14 CO 0.13 0.01 0.00 1.17 0.00 0.00 0.00 175.35 176.66 1wii n LYS 15 N -1.53 -4.64 -1.11 1.78 4.81 -1.26 -4.78 118.16 111.43 1wii n LYS 15 Ca 0.00 3.35 -0.42 0.00 -0.87 0.00 0.00 58.31 60.37 1wii n LYS 15 Cb 0.59 -3.65 -0.05 0.00 0.02 0.00 0.00 35.03 31.95 1wii n LYS 15 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1wii n MET 16 N 0.67 0.00 -3.88 1.64 0.00 -1.26 -4.93 117.12 109.36 1wii n MET 16 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1wii n MET 16 Cb 0.00 -0.99 -0.15 0.00 0.00 0.00 0.00 33.22 32.08 1wii n MET 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1wii s THR 17 N -0.31 1.38 0.00 3.17 -4.23 -1.26 -4.95 115.64 109.43 1wii s THR 17 Ca 0.61 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1wii s THR 17 Cb -0.86 -1.82 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1wii s THR 17 CO 0.43 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1wii n GLY 18 N 4.69 -1.79 3.73 3.99 0.00 -1.26 -5.13 105.19 109.43 1wii n GLY 18 Ca -0.07 0.61 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 1wii n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wii s THR 19 N 0.00 4.34 -1.15 2.61 2.01 -1.26 -4.96 115.64 117.22 1wii s THR 19 Ca 0.00 2.03 -0.21 0.00 0.31 0.00 0.00 61.69 63.83 1wii s THR 19 Cb 0.00 -4.30 0.05 0.00 0.01 0.00 0.00 72.50 68.26 1wii s THR 19 CO 0.00 0.36 1.63 -0.76 -0.69 0.00 0.00 174.62 175.16 1wii s LEU 20 N -0.32 3.62 -0.22 4.42 1.43 -1.26 -4.95 118.68 121.40 1wii s LEU 20 Ca 0.46 -1.89 -0.41 0.00 -1.03 0.00 0.00 54.13 51.26 1wii s LEU 20 Cb -0.25 -2.58 -0.17 0.00 0.03 0.00 0.00 46.19 43.23 1wii s LEU 20 CO 0.31 -1.50 1.56 -1.84 0.23 0.00 0.00 176.35 175.11 1wii n GLU 21 N 8.63 0.79 -0.78 1.70 0.28 -1.26 -4.81 120.64 125.19 1wii n GLU 21 Ca 0.41 0.29 -0.14 0.00 -0.16 0.00 0.00 57.16 57.56 1wii n GLU 21 Cb 0.48 -1.91 0.04 0.00 1.43 0.00 0.00 31.44 31.49 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 3.72 2.54 -4.14 3.84 -2.24 -1.26 -4.84 114.28 111.89 1wii n THR 22 Ca 0.25 -1.38 -0.15 0.00 -2.27 0.00 0.00 64.05 60.50 1wii n THR 22 Cb 0.10 -1.23 -0.14 0.00 -2.10 0.00 0.00 70.33 66.96 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 -1.58 0.45 0.06 -0.78 -1.52 -1.26 -3.91 119.66 111.11 1wii s GLN 23 Ca 0.27 -0.29 -0.05 0.00 -1.95 0.00 0.00 55.36 53.34 1wii s GLN 23 Cb 0.21 -0.39 -0.02 0.00 -0.22 0.00 0.00 33.01 32.59 1wii s GLN 23 CO 0.01 0.10 0.08 -0.06 -0.25 0.00 0.00 175.29 175.17 1wii s PHE 24 N -0.35 0.30 0.78 0.91 0.40 -1.13 -4.95 117.98 113.95 1wii s PHE 24 Ca -0.00 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.48 1wii s PHE 24 Cb -0.03 -0.21 0.07 0.00 0.51 0.00 0.00 43.02 43.36 1wii s PHE 24 CO -0.00 -0.42 1.12 0.99 0.70 0.00 0.00 175.22 177.60 1wii s THR 25 N -3.45 2.94 -0.22 0.64 2.01 -1.26 -1.58 115.64 114.71 1wii s THR 25 Ca 0.02 0.34 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 1wii s THR 25 Cb 0.04 -2.73 -0.00 0.00 0.01 0.00 0.00 72.50 69.82 1wii s THR 25 CO -0.08 -0.36 -0.06 0.00 -0.69 0.00 0.00 174.62 173.42 1wii h PRO 27 N 8.09 0.00 0.18 0.00 0.13 -1.97 1.06 132.00 139.48 1wii h PRO 27 Ca -0.42 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1wii h PRO 27 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wii h PRO 27 CO 0.61 0.00 -0.09 0.74 -0.23 0.00 0.00 178.00 179.03 1wii h PHE 28 N 0.00 -0.22 0.00 1.56 -1.00 -2.01 -3.42 116.94 111.85 1wii h PHE 28 Ca 0.00 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.49 1wii h PHE 28 Cb 0.40 0.07 -0.05 0.00 3.61 0.00 0.00 35.95 39.98 1wii h PHE 28 CO 0.00 -0.14 -2.07 0.00 -1.61 0.00 0.00 178.31 174.49 1wii n ASN 30 N -2.88 -7.04 -2.21 0.00 3.02 0.37 -4.97 115.26 101.55 1wii n ASN 30 Ca -0.30 0.55 -0.27 0.00 -0.03 0.00 0.00 54.58 54.53 1wii n ASN 30 Cb 0.91 -4.71 0.02 0.00 -0.61 0.00 0.00 39.78 35.39 1wii n ASN 30 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1wii n HIS 31 N -0.21 2.98 -2.89 3.10 -0.00 -1.26 -4.94 115.22 111.99 1wii n HIS 31 Ca 0.09 -2.54 -0.01 0.00 0.46 0.00 0.00 57.72 55.72 1wii n HIS 31 Cb 0.34 -0.46 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 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 -0.67 -2.41 -3.07 1.57 2.13 -1.26 -4.41 120.64 112.52 1wii n GLU 32 Ca 0.46 2.10 -0.00 0.00 0.66 0.00 0.00 57.16 60.38 1wii n GLU 32 Cb 0.82 -3.94 -0.00 0.00 0.27 0.00 0.00 31.44 28.59 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 0.83 -1.14 -2.75 5.31 5.02 -1.26 -4.93 118.16 119.24 1wii n LYS 33 Ca 0.00 1.31 -0.04 0.00 -2.02 0.00 0.00 58.31 57.56 1wii n LYS 33 Cb 0.20 -2.05 0.06 0.00 -0.02 0.00 0.00 35.03 33.22 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 1.24 0.81 -4.05 4.39 7.64 -0.61 -4.79 113.62 118.25 1wii n SER 34 Ca -0.01 -2.30 -0.11 0.00 1.01 0.00 0.00 58.87 57.46 1wii n SER 34 Cb 0.36 -0.21 -0.11 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.74 3.08 -0.27 0.00 1.47 0.12 -2.82 116.67 116.51 1wii s ASP 36 Ca -0.09 -0.55 -0.10 0.00 1.18 0.00 0.00 52.55 52.99 1wii s ASP 36 Cb -0.08 -1.34 -0.04 0.00 -0.34 0.00 0.00 42.92 41.12 1wii s ASP 36 CO -0.01 0.17 0.16 -0.69 0.68 0.00 0.00 175.17 175.47 1wii s VAL 37 N 0.29 4.99 -0.47 2.11 1.01 -1.25 -1.17 120.40 125.91 1wii s VAL 37 Ca -0.17 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 1wii s VAL 37 Cb -0.18 -3.38 0.08 0.00 0.00 0.00 0.00 36.38 32.90 1wii s VAL 37 CO 0.08 0.26 0.38 -0.75 0.00 0.00 0.00 175.10 175.07 1wii s LYS 38 N 1.71 2.91 -0.81 2.72 2.20 0.19 -4.95 119.74 123.70 1wii s LYS 38 Ca 0.07 -1.41 -0.21 0.00 -0.36 0.00 0.00 55.97 54.06 1wii s LYS 38 Cb -0.16 -4.08 0.09 0.00 -1.51 0.00 0.00 37.83 32.17 1wii s LYS 38 CO 0.09 -1.04 1.10 -1.64 -0.36 0.00 0.00 175.35 173.49 1wii s MET 39 N 1.60 3.36 -0.53 4.03 -1.94 -1.26 -1.08 119.30 123.48 1wii s MET 39 Ca 0.04 -1.20 -0.20 0.00 -1.71 0.00 0.00 55.69 52.61 1wii s MET 39 Cb -0.25 -4.62 0.06 0.00 2.01 0.00 0.00 34.83 32.03 1wii s MET 39 CO 0.05 -1.86 0.71 0.34 -0.01 0.00 0.00 175.02 174.26 1wii s ASP 40 N 3.81 6.24 -0.05 3.03 2.15 -1.23 -4.93 116.67 125.69 1wii s ASP 40 Ca 0.29 -0.85 -0.18 0.00 0.43 0.00 0.00 52.55 52.25 1wii s ASP 40 Cb -0.10 -2.33 -0.12 0.00 -0.30 0.00 0.00 42.92 40.07 1wii s ASP 40 CO 0.00 -1.01 0.72 0.03 -0.17 0.00 0.00 175.17 174.74 1wii h ARG 41 N 9.10 -0.28 -0.89 4.34 2.47 -1.94 0.98 114.38 128.17 1wii h ARG 41 Ca -0.27 0.02 0.34 0.00 -1.26 0.00 0.00 59.98 58.80 1wii h ARG 41 Cb 1.09 0.06 -0.12 0.00 -1.65 0.00 0.00 29.97 29.35 1wii h ARG 41 CO 1.01 0.05 0.53 0.00 0.56 0.00 0.00 179.97 182.12 1wii n ALA 42 N -2.64 0.89 0.10 0.04 0.00 -1.26 0.18 120.51 117.82 1wii n ALA 42 Ca -0.07 0.72 0.07 0.00 0.00 0.00 0.00 53.44 54.16 1wii n ALA 42 Cb 0.23 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.79 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 -4.48 0.78 -3.26 0.00 5.12 -1.23 -5.02 116.66 108.56 1wii n ARG 43 Ca 0.30 -0.11 -0.16 0.00 -1.93 0.00 0.00 57.85 55.95 1wii n ARG 43 Cb 1.07 -1.30 0.07 0.00 -1.16 0.00 0.00 32.46 31.15 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 -1.87 -3.02 -3.61 0.55 4.13 0.47 -4.93 115.26 106.98 1wii n ASN 44 Ca -0.02 -0.50 -0.22 0.00 1.68 0.00 0.00 54.58 55.52 1wii n ASN 44 Cb 0.33 -4.38 -0.16 0.00 -1.54 0.00 0.00 39.78 34.04 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 -3.29 -0.17 -0.02 3.41 2.01 -0.26 -0.57 115.64 116.76 1wii s THR 45 Ca 0.13 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 1wii s THR 45 Cb -0.06 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1wii s THR 45 CO 0.61 -0.11 1.01 -0.83 -0.69 0.00 0.00 174.62 174.61 1wii s GLY 46 N 2.21 2.73 -0.23 4.40 0.00 0.51 -3.47 107.32 113.47 1wii s GLY 46 Ca 0.04 0.53 0.02 0.00 0.00 0.00 0.00 44.72 45.31 1wii s GLY 46 CO -0.08 1.78 -0.11 0.14 0.00 0.00 0.00 173.10 174.83 1wii s VAL 47 N 1.26 1.90 0.15 1.40 1.01 -0.24 -0.66 120.40 125.24 1wii s VAL 47 Ca 0.52 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1wii s VAL 47 Cb -0.21 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 1wii s VAL 47 CO 0.26 0.10 0.28 -0.51 0.00 0.00 0.00 175.10 175.23 1wii s ILE 48 N 1.26 5.29 0.11 2.22 2.07 -0.28 -0.64 121.20 131.22 1wii s ILE 48 Ca -0.04 -0.72 -0.14 0.00 -1.41 0.00 0.00 60.65 58.34 1wii s ILE 48 Cb -0.18 -3.73 0.02 0.00 0.13 0.00 0.00 42.46 38.70 1wii s ILE 48 CO -0.07 -0.11 0.33 -0.94 -1.91 0.00 0.00 174.94 172.24 1wii s SER 49 N -3.27 -0.12 0.35 4.50 1.04 -0.32 -0.11 113.70 115.77 1wii s SER 49 Ca 0.34 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.44 1wii s SER 49 Cb -0.11 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1wii s SER 49 CO 0.28 -0.79 0.43 0.00 0.98 0.00 0.00 173.24 174.14 1wii n THR 51 N -1.59 1.13 0.01 0.00 -2.24 0.22 -4.29 114.28 107.52 1wii n THR 51 Ca 0.01 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1wii n THR 51 Cb 0.59 0.31 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 -0.73 0.15 0.48 2.28 0.31 -1.26 -4.82 118.33 114.74 1wii n VAL 52 Ca 0.05 0.05 0.11 0.00 -0.01 0.00 0.00 64.34 64.55 1wii n VAL 52 Cb 0.44 -1.23 0.02 0.00 -0.91 0.00 0.00 33.84 32.16 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 -2.08 -3.61 -4.89 0.00 4.77 -1.26 -5.07 117.00 104.86 1wii n LEU 54 Ca 0.01 -0.31 -0.26 0.00 -0.03 0.00 0.00 56.01 55.42 1wii n LEU 54 Cb 0.46 -1.70 -0.01 0.00 -2.33 0.00 0.00 43.42 39.84 1wii n LEU 54 CO 0.40 0.04 0.03 -1.61 -1.33 0.00 0.00 177.39 174.92 1wii s GLU 55 N -3.62 2.26 -0.17 3.23 0.41 -1.26 -4.91 118.70 114.63 1wii s GLU 55 Ca 0.20 -2.03 -0.29 0.00 -0.41 0.00 0.00 54.97 52.45 1wii s GLU 55 Cb -0.03 -2.07 0.11 0.00 -1.78 0.00 0.00 34.13 30.37 1wii s GLU 55 CO 0.33 -0.58 0.93 -2.00 -0.49 0.00 0.00 175.26 173.44 1wii s GLU 56 N -4.25 0.67 -0.00 1.61 2.12 -1.26 -2.11 118.70 115.49 1wii s GLU 56 Ca 0.33 0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.89 1wii s GLU 56 Cb -0.02 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.70 1wii s GLU 56 CO 0.20 -0.18 0.18 0.12 -0.54 0.00 0.00 175.26 175.04 1wii s PHE 57 N -0.72 -0.01 0.09 5.30 5.36 0.84 -4.97 117.98 123.86 1wii s PHE 57 Ca -0.02 -0.03 0.10 0.00 -0.96 0.00 0.00 56.93 56.02 1wii s PHE 57 Cb -0.02 -0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.62 1wii s PHE 57 CO 0.01 -0.31 -0.26 -0.65 -1.46 0.00 0.00 175.22 172.55 1wii s GLN 58 N -1.35 1.62 -0.26 10.12 -0.21 -1.26 -1.12 119.66 127.19 1wii s GLN 58 Ca -0.14 -1.22 -0.26 0.00 0.02 0.00 0.00 55.36 53.76 1wii s GLN 58 Cb -0.07 -1.95 0.09 0.00 1.00 0.00 0.00 33.01 32.08 1wii s GLN 58 CO 0.02 0.48 0.83 -0.08 -2.12 0.00 0.00 175.29 174.43 1wii s THR 59 N -0.95 0.00 0.15 -0.19 -1.32 0.17 -5.00 115.64 108.50 1wii s THR 59 Ca 0.13 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.31 1wii s THR 59 Cb -0.10 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.81 1wii s THR 59 CO 0.04 0.00 1.34 -2.16 -2.21 0.00 0.00 174.62 171.63 1wii s PRO 60 N 0.18 4.36 0.14 7.08 0.04 -1.26 0.19 135.00 145.73 1wii s PRO 60 Ca 0.00 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1wii s PRO 60 Cb -0.05 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 1wii s PRO 60 CO -0.01 -0.34 0.09 0.44 0.04 0.00 0.00 177.00 177.23 1wii n ILE 61 N 3.35 0.00 -3.50 0.56 -6.64 0.27 -4.73 119.36 108.67 1wii n ILE 61 Ca 0.09 -0.96 -0.13 0.00 -1.77 0.00 0.00 62.75 59.98 1wii n ILE 61 Cb 0.43 0.44 -0.04 0.00 -1.44 0.00 0.00 39.64 39.03 1wii n ILE 61 CO 0.00 0.00 0.00 0.42 -1.77 0.00 0.00 176.55 175.20 1wii s THR 62 N -2.42 0.02 0.57 7.28 -4.23 -1.26 -4.41 115.64 111.19 1wii s THR 62 Ca 0.13 -0.13 0.44 0.00 -1.18 0.00 0.00 61.69 60.95 1wii s THR 62 Cb 0.01 -1.02 0.64 0.00 1.34 0.00 0.00 72.50 73.47 1wii s THR 62 CO 0.09 -0.07 1.53 0.22 -0.54 0.00 0.00 174.62 175.85 1wii h TYR 63 N 2.34 0.00 -0.01 3.99 5.03 -1.96 0.80 116.97 127.16 1wii h TYR 63 Ca -0.32 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 60.97 1wii h TYR 63 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.54 1wii h TYR 63 CO 0.29 0.00 -0.07 -0.07 -1.32 0.00 0.00 178.16 176.99 1wii h LEU 64 N 0.00 0.08 -9.40 2.82 4.07 -2.05 -3.46 115.31 107.37 1wii h LEU 64 Ca 0.80 -0.72 -0.50 0.00 0.08 0.00 0.00 57.88 57.54 1wii h LEU 64 Cb 3.45 -0.02 0.24 0.00 1.08 0.00 0.00 40.66 45.41 1wii h LEU 64 CO -0.01 0.79 -1.56 -1.20 -1.08 0.00 0.00 178.44 175.39 1wii n SER 65 N -4.67 -3.17 -4.31 -0.43 7.64 0.28 -5.02 113.62 103.94 1wii n SER 65 Ca -0.09 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.68 1wii n SER 65 Cb 0.40 -0.85 -0.10 0.00 -1.01 0.00 0.00 64.21 62.64 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 1.24 0.00 1.43 2.02 -1.26 -4.84 118.70 114.44 1wii s GLU 66 Ca 0.48 -1.53 0.15 0.00 0.02 0.00 0.00 54.97 54.09 1wii s GLU 66 Cb -0.09 -0.98 0.70 0.00 0.10 0.00 0.00 34.13 33.86 1wii s GLU 66 CO 0.70 0.16 1.42 -0.35 0.02 0.00 0.00 175.26 177.21 1wii n PRO 67 N -0.26 0.14 -0.05 0.39 -0.04 -1.26 -2.47 135.00 131.46 1wii n PRO 67 Ca -0.09 0.18 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 1wii n PRO 67 Cb 0.60 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.35 1.55 -0.01 0.52 3.14 -1.26 -4.29 118.33 116.62 1wii n VAL 68 Ca 0.06 -0.79 -0.13 0.00 -2.96 0.00 0.00 64.34 60.52 1wii n VAL 68 Cb 0.13 -0.94 -0.09 0.00 -1.06 0.00 0.00 33.84 31.88 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 0.03 -0.97 6.55 1.82 -1.90 -3.14 116.42 118.81 1wii h ASP 69 Ca -0.40 -0.44 0.30 0.00 -0.39 0.00 0.00 57.03 56.10 1wii h ASP 69 Cb 2.09 -0.01 -0.15 0.00 0.68 0.00 0.00 39.33 41.94 1wii h ASP 69 CO 0.05 0.46 0.48 0.58 -1.61 0.00 0.00 179.24 179.21 1wii h VAL 70 N -0.41 0.29 0.08 2.25 2.07 -1.75 0.11 116.25 118.90 1wii h VAL 70 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1wii h VAL 70 Cb 0.45 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 1wii h VAL 70 CO 0.00 0.05 -0.15 0.22 0.02 0.00 0.00 177.57 177.72 1wii h TYR 71 N 0.28 -0.38 -0.68 1.57 3.20 -1.73 -1.73 116.97 117.51 1wii h TYR 71 Ca 0.69 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.66 1wii h TYR 71 Cb 1.55 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.91 1wii h TYR 71 CO -0.08 -0.22 0.33 0.77 -1.64 0.00 0.00 178.16 177.32 1wii h SER 72 N -0.29 0.43 -0.18 -2.11 0.02 -0.84 -2.14 113.55 108.44 1wii h SER 72 Ca 0.02 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1wii h SER 72 Cb 0.31 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1wii h SER 72 CO -0.08 0.26 -0.02 0.44 -1.14 0.00 0.00 176.83 176.28 1wii h ASP 73 N 0.58 -0.11 -1.00 3.07 3.32 -0.98 -1.70 116.42 119.60 1wii h ASP 73 Ca 0.33 0.05 0.24 0.00 0.02 0.00 0.00 57.03 57.66 1wii h ASP 73 Cb 0.33 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.89 1wii h ASP 73 CO -0.26 -0.03 0.64 -0.25 -1.72 0.00 0.00 179.24 177.62 1wii h TRP 74 N 0.03 0.70 0.52 4.55 7.01 -0.66 0.37 115.95 128.47 1wii h TRP 74 Ca 0.09 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.08 1wii h TRP 74 Cb 0.12 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1wii h TRP 74 CO -0.18 0.11 -0.25 0.82 -2.79 0.00 0.00 178.44 176.15 1wii h ILE 75 N 0.46 0.00 0.00 2.65 1.08 -1.08 -1.86 117.51 118.76 1wii h ILE 75 Ca 0.56 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.99 1wii h ILE 75 Cb 1.32 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1wii h ILE 75 CO -0.28 0.00 -0.04 0.44 -0.69 0.00 0.00 178.15 177.58 1wii h ASP 76 N -0.72 0.00 -0.25 1.72 3.32 -1.28 -1.43 116.42 117.78 1wii h ASP 76 Ca -0.07 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1wii h ASP 76 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1wii h ASP 76 CO 0.12 0.04 -0.07 0.00 -1.72 0.00 0.00 179.24 177.61 1wii h ALA 77 N 1.96 1.19 0.12 3.45 0.00 -0.11 -3.17 119.26 122.71 1wii h ALA 77 Ca -0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1wii h ALA 77 Cb 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1wii h ALA 77 CO 0.00 0.52 -1.01 0.00 0.00 0.00 0.00 179.25 178.76 1wii n GLU 79 N -4.08 -0.07 -3.57 0.00 1.02 -0.65 -3.95 120.64 109.33 1wii n GLU 79 Ca -0.18 1.36 -0.21 0.00 -0.02 0.00 0.00 57.16 58.11 1wii n GLU 79 Cb 0.83 -2.19 -0.15 0.00 -0.02 0.00 0.00 31.44 29.91 1wii n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1wii s SER 80 N -4.96 1.64 -0.29 1.62 0.01 -1.21 -5.11 113.70 105.40 1wii s SER 80 Ca -0.11 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1wii s SER 80 Cb 0.27 0.11 0.18 0.00 0.21 0.00 0.00 66.02 66.80 1wii s SER 80 CO 0.71 -0.32 0.56 -0.83 0.41 0.00 0.00 173.24 173.77 1wii s GLY 81 N 2.24 -0.99 0.33 3.44 0.00 -1.25 -4.78 107.32 106.32 1wii s GLY 81 Ca 0.04 1.39 0.13 0.00 0.00 0.00 0.00 44.72 46.28 1wii s GLY 81 CO -0.10 3.37 1.74 -0.56 0.00 0.00 0.00 173.10 177.55 1wii h PRO 82 N 8.03 0.00 -0.92 2.90 0.13 -1.96 -3.30 132.00 136.88 1wii h PRO 82 Ca -0.15 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1wii h PRO 82 Cb 1.17 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.18 1wii h PRO 82 CO 0.23 0.47 -0.50 0.45 -0.23 0.00 0.00 178.00 178.42 1wii n SER 83 N -3.92 -0.89 0.00 1.44 2.88 -1.26 -4.80 113.62 107.08 1wii n SER 83 Ca -0.01 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.15 1wii n SER 83 Cb 0.50 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1wii n SER 83 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wii n SER 84 N -5.19 0.00 0.00 -3.46 2.88 -1.24 -5.34 113.62 101.27 1wii n SER 84 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1wii n SER 84 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42