#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 -0.04 -0.29 1.61 1.04 -1.26 -5.18 113.70 109.59 1wii s SER 2 Ca 0.00 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 1wii s SER 2 Cb 0.00 0.09 0.13 0.00 0.10 0.00 0.00 66.02 66.33 1wii s SER 2 CO 0.00 -0.16 0.90 -0.94 0.98 0.00 0.00 173.24 174.03 1wii s SER 3 N -2.87 -0.62 -0.38 7.02 1.04 -1.26 -5.13 113.70 111.49 1wii s SER 3 Ca 0.14 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.57 1wii s SER 3 Cb 0.05 1.27 0.12 0.00 0.10 0.00 0.00 66.02 67.57 1wii s SER 3 CO -0.05 -0.16 0.18 -0.83 0.98 0.00 0.00 173.24 173.36 1wii s GLY 4 N 1.46 1.43 0.09 7.32 0.00 -1.26 -4.99 107.32 111.36 1wii s GLY 4 Ca -0.09 -2.23 -0.26 0.00 0.00 0.00 0.00 44.72 42.14 1wii s GLY 4 CO -0.16 1.57 1.69 0.23 0.00 0.00 0.00 173.10 176.43 1wii h SER 5 N 7.27 -0.33 -3.63 1.64 0.87 -2.09 -3.49 113.55 113.80 1wii h SER 5 Ca -0.05 0.02 0.32 0.00 -1.23 0.00 0.00 61.79 60.85 1wii h SER 5 Cb 0.97 0.10 -0.16 0.00 -0.44 0.00 0.00 62.40 62.86 1wii h SER 5 CO 0.47 -0.21 -1.07 -1.20 -0.53 0.00 0.00 176.83 174.29 1wii n SER 6 N -5.25 -7.32 -2.68 6.23 7.64 -1.26 -4.86 113.62 106.12 1wii n SER 6 Ca -0.09 1.22 -0.08 0.00 1.01 0.00 0.00 58.87 60.93 1wii n SER 6 Cb 0.17 -4.43 0.03 0.00 -1.01 0.00 0.00 64.21 58.97 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 -4.13 1.87 3.56 0.23 0.00 -1.26 -5.06 105.19 100.40 1wii n GLY 7 Ca -0.07 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 1wii n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wii s ARG 8 N -3.30 2.88 -0.27 1.61 3.00 -1.26 -4.91 118.95 116.70 1wii s ARG 8 Ca 0.28 0.65 -0.00 0.00 -1.00 0.00 0.00 55.73 55.66 1wii s ARG 8 Cb 0.43 -4.30 0.15 0.00 0.00 0.00 0.00 34.95 31.22 1wii s ARG 8 CO 0.01 -2.43 0.39 0.21 0.00 0.00 0.00 175.30 173.48 1wii s LYS 9 N 6.49 0.38 0.94 5.12 2.36 -1.26 -5.16 119.74 128.61 1wii s LYS 9 Ca 0.64 0.27 -0.12 0.00 -2.55 0.00 0.00 55.97 54.22 1wii s LYS 9 Cb -0.13 -0.40 0.15 0.00 -1.05 0.00 0.00 37.83 36.40 1wii s LYS 9 CO 0.23 -0.88 1.09 -1.25 1.55 0.00 0.00 175.35 176.10 1wii s PRO 10 N 2.53 0.92 -0.25 4.03 0.04 -1.26 -4.95 135.00 136.06 1wii s PRO 10 Ca 0.11 0.70 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1wii s PRO 10 Cb -0.14 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1wii s PRO 10 CO -0.25 -2.44 1.63 -1.25 0.04 0.00 0.00 177.00 174.73 1wii s PRO 11 N -4.95 3.70 -0.82 0.56 0.04 -1.26 -4.93 135.00 127.35 1wii s PRO 11 Ca 0.64 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 63.00 1wii s PRO 11 Cb -0.18 -4.06 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1wii s PRO 11 CO 0.57 -1.41 1.92 -1.25 0.04 0.00 0.00 177.00 176.88 1wii s PRO 12 N 4.85 2.57 -0.06 0.56 0.04 -1.26 -4.82 135.00 136.89 1wii s PRO 12 Ca 0.72 -0.04 -0.00 0.00 0.04 0.00 0.00 61.00 61.71 1wii s PRO 12 Cb -0.24 -4.88 -0.00 0.00 0.04 0.00 0.00 34.50 29.42 1wii s PRO 12 CO 0.30 -3.21 -0.01 -0.22 0.04 0.00 0.00 177.00 173.91 1wii h LYS 13 N 12.29 0.00 -7.71 4.56 3.11 -2.05 -3.47 116.57 123.30 1wii h LYS 13 Ca 0.00 0.00 -0.45 0.00 -2.81 0.00 0.00 60.65 57.39 1wii h LYS 13 Cb 1.05 0.00 0.16 0.00 -1.00 0.00 0.00 32.23 32.43 1wii h LYS 13 CO 1.21 0.00 0.36 0.15 -2.81 0.00 0.00 179.45 178.36 1wii s LYS 14 N -1.34 0.65 0.00 1.90 -0.14 -1.26 -5.03 119.74 114.52 1wii s LYS 14 Ca -0.00 -0.66 0.00 0.00 -1.36 0.00 0.00 55.97 53.95 1wii s LYS 14 Cb 0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1wii s LYS 14 CO 0.01 -2.35 0.00 1.17 -0.76 0.00 0.00 175.35 173.42 1wii n LYS 15 N -3.64 0.00 -1.00 1.68 0.00 -1.26 -5.17 118.16 108.77 1wii n LYS 15 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 58.31 58.61 1wii n LYS 15 Cb 0.59 -0.05 -0.04 0.00 0.00 0.00 0.00 35.03 35.54 1wii n LYS 15 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1wii n MET 16 N -2.15 -2.07 -1.32 1.64 2.81 -1.26 -4.75 117.12 110.01 1wii n MET 16 Ca 0.00 1.44 -0.52 0.00 -1.81 0.00 0.00 57.70 56.82 1wii n MET 16 Cb 0.00 -2.51 -0.07 0.00 -0.71 0.00 0.00 33.22 29.93 1wii n MET 16 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1wii n THR 17 N -3.45 0.00 -2.40 2.03 -1.04 -1.26 -4.81 114.28 103.35 1wii n THR 17 Ca -0.01 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.98 1wii n THR 17 Cb 0.46 -0.24 0.05 0.00 -1.82 0.00 0.00 70.33 68.78 1wii n THR 17 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wii n GLY 18 N 2.41 0.70 3.79 3.41 0.00 -1.26 -5.15 105.19 109.10 1wii n GLY 18 Ca 0.21 -0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 0.06 3.81 -0.56 2.61 2.01 -1.26 -4.29 115.64 118.02 1wii s THR 19 Ca 0.04 1.20 -0.17 0.00 0.31 0.00 0.00 61.69 63.07 1wii s THR 19 Cb 0.21 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1wii s THR 19 CO -0.06 -0.17 0.64 0.18 -0.69 0.00 0.00 174.62 174.52 1wii n LEU 20 N -0.68 -5.19 -1.40 4.42 4.32 -1.26 -4.92 117.00 112.28 1wii n LEU 20 Ca 0.08 -0.03 -0.10 0.00 -0.02 0.00 0.00 56.01 55.94 1wii n LEU 20 Cb 0.52 -2.59 0.15 0.00 -1.62 0.00 0.00 43.42 39.88 1wii n LEU 20 CO 0.41 -1.00 0.62 -1.84 -1.22 0.00 0.00 177.39 174.36 1wii n GLU 21 N -0.93 2.25 -2.48 3.23 0.28 -1.26 -4.93 120.64 116.80 1wii n GLU 21 Ca -0.04 -3.42 -0.09 0.00 -0.16 0.00 0.00 57.16 53.45 1wii n GLU 21 Cb 0.57 -1.94 -0.02 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 -1.02 0.00 -3.81 3.84 -2.24 -1.26 -4.81 114.28 104.97 1wii n THR 22 Ca 0.37 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1wii n THR 22 Cb 0.96 -0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.99 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 -4.18 0.60 0.22 -0.78 -0.21 -1.26 -3.00 119.66 111.06 1wii s GLN 23 Ca 0.19 -0.32 -0.22 0.00 0.02 0.00 0.00 55.36 55.02 1wii s GLN 23 Cb -0.11 0.26 0.05 0.00 1.00 0.00 0.00 33.01 34.21 1wii s GLN 23 CO 0.23 -0.16 0.67 -0.06 -2.12 0.00 0.00 175.29 173.85 1wii s PHE 24 N -1.50 -0.35 0.46 0.91 0.40 -1.25 -4.97 117.98 111.67 1wii s PHE 24 Ca -0.13 0.02 -0.22 0.00 -0.60 0.00 0.00 56.93 56.00 1wii s PHE 24 Cb -0.06 0.64 -0.08 0.00 0.51 0.00 0.00 43.02 44.03 1wii s PHE 24 CO 0.02 -1.04 1.10 0.99 0.70 0.00 0.00 175.22 176.99 1wii s THR 25 N -3.82 3.45 -0.32 0.64 2.01 -1.26 -2.97 115.64 113.37 1wii s THR 25 Ca 0.06 1.02 -0.11 0.00 0.31 0.00 0.00 61.69 62.97 1wii s THR 25 Cb -0.04 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.98 1wii s THR 25 CO -0.03 -0.08 0.20 0.00 -0.69 0.00 0.00 174.62 174.02 1wii h PRO 27 N 8.42 0.00 0.26 0.00 0.13 -1.98 1.12 132.00 139.96 1wii h PRO 27 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1wii h PRO 27 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1wii h PRO 27 CO 0.62 0.00 -0.12 0.74 -0.23 0.00 0.00 178.00 179.00 1wii h PHE 28 N 0.00 -0.32 0.00 1.56 -1.00 -2.02 -3.40 116.94 111.76 1wii h PHE 28 Ca 0.00 -0.01 -0.30 0.00 2.81 0.00 0.00 57.97 60.48 1wii h PHE 28 Cb 0.45 0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 1wii h PHE 28 CO 0.00 0.04 -2.10 0.00 -1.61 0.00 0.00 178.31 174.64 1wii n ASN 30 N -3.20 -2.17 -3.26 0.00 4.13 0.39 -5.05 115.26 106.09 1wii n ASN 30 Ca -0.35 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 55.67 1wii n ASN 30 Cb 0.85 -1.13 -0.07 0.00 -1.54 0.00 0.00 39.78 37.89 1wii n ASN 30 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1wii n HIS 31 N -0.82 0.89 -0.61 3.10 8.25 -1.26 -4.97 115.22 119.80 1wii n HIS 31 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 57.72 53.71 1wii n HIS 31 Cb 0.32 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1wii n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1wii n GLU 32 N 1.23 0.00 -1.75 -0.41 2.13 -1.26 -3.50 120.64 117.08 1wii n GLU 32 Ca 0.24 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.87 1wii n GLU 32 Cb 0.49 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.12 1wii n GLU 32 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1wii s LYS 33 N 0.00 1.80 -0.36 5.31 -2.85 -1.26 -4.05 119.74 118.33 1wii s LYS 33 Ca 0.00 -0.19 0.11 0.00 -1.00 0.00 0.00 55.97 54.89 1wii s LYS 33 Cb 0.00 -4.97 0.45 0.00 -2.06 0.00 0.00 37.83 31.25 1wii s LYS 33 CO 0.00 -4.49 1.08 0.43 0.10 0.00 0.00 175.35 172.47 1wii n SER 34 N 17.40 3.39 -3.92 0.03 7.64 -1.16 -4.82 113.62 132.19 1wii n SER 34 Ca 0.44 -3.21 -0.14 0.00 1.01 0.00 0.00 58.87 56.97 1wii n SER 34 Cb 0.45 -0.46 -0.14 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.19 3.63 -0.26 0.00 2.15 -0.71 -3.78 116.67 117.51 1wii s ASP 36 Ca -0.00 -0.50 -0.10 0.00 0.43 0.00 0.00 52.55 52.38 1wii s ASP 36 Cb -0.02 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.99 1wii s ASP 36 CO -0.00 0.05 0.14 -0.69 -0.17 0.00 0.00 175.17 174.50 1wii s VAL 37 N 1.02 5.01 -0.45 1.11 1.01 -1.16 -2.30 120.40 124.63 1wii s VAL 37 Ca -0.01 0.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1wii s VAL 37 Cb -0.15 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 32.95 1wii s VAL 37 CO -0.03 0.30 0.35 -0.54 0.00 0.00 0.00 175.10 175.17 1wii s LYS 38 N 1.54 2.86 -0.78 2.72 3.01 0.49 -4.96 119.74 124.61 1wii s LYS 38 Ca 0.07 -1.38 -0.23 0.00 -1.01 0.00 0.00 55.97 53.41 1wii s LYS 38 Cb -0.15 -4.01 0.06 0.00 -1.01 0.00 0.00 37.83 32.72 1wii s LYS 38 CO 0.07 -0.99 1.16 -1.64 0.51 0.00 0.00 175.35 174.46 1wii s MET 39 N 1.57 3.27 -0.50 1.68 -1.94 -1.26 -1.51 119.30 120.61 1wii s MET 39 Ca 0.04 -0.82 -0.18 0.00 -1.71 0.00 0.00 55.69 53.02 1wii s MET 39 Cb -0.24 -4.48 0.07 0.00 2.01 0.00 0.00 34.83 32.20 1wii s MET 39 CO 0.05 -1.97 0.54 0.34 -0.01 0.00 0.00 175.02 173.97 1wii s ASP 40 N 3.89 6.19 -0.07 3.03 2.15 -1.22 -4.94 116.67 125.69 1wii s ASP 40 Ca 0.31 -1.18 -0.14 0.00 0.43 0.00 0.00 52.55 51.98 1wii s ASP 40 Cb -0.10 -2.25 -0.10 0.00 -0.30 0.00 0.00 42.92 40.18 1wii s ASP 40 CO 0.06 -0.82 0.52 0.03 -0.17 0.00 0.00 175.17 174.79 1wii h ARG 41 N 8.92 -0.22 -0.70 4.34 -0.00 -1.94 0.44 114.38 125.22 1wii h ARG 41 Ca -0.28 0.01 0.20 0.00 -0.50 0.00 0.00 59.98 59.42 1wii h ARG 41 Cb 1.10 0.05 -0.13 0.00 0.00 0.00 0.00 29.97 30.99 1wii h ARG 41 CO 0.95 0.06 0.05 0.00 0.00 0.00 0.00 179.97 181.03 1wii n ALA 42 N -2.69 0.40 0.01 0.04 0.00 -1.26 0.18 120.51 117.19 1wii n ALA 42 Ca -0.05 0.75 0.07 0.00 0.00 0.00 0.00 53.44 54.20 1wii n ALA 42 Cb 0.19 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 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 -4.91 0.65 -2.98 0.00 5.12 -1.25 -5.00 116.66 108.29 1wii n ARG 43 Ca 0.18 -0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.93 1wii n ARG 43 Cb 0.58 -1.62 0.05 0.00 -1.16 0.00 0.00 32.46 30.30 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 -2.50 -3.01 -3.63 0.55 3.02 0.48 -4.96 115.26 105.21 1wii n ASN 44 Ca -0.08 -0.36 -0.17 0.00 -0.03 0.00 0.00 54.58 53.95 1wii n ASN 44 Cb 0.68 -3.28 -0.15 0.00 -0.61 0.00 0.00 39.78 36.43 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 -3.21 -0.29 -0.09 3.41 2.01 -0.24 -1.06 115.64 116.16 1wii s THR 45 Ca 0.13 0.24 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 1wii s THR 45 Cb -0.06 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1wii s THR 45 CO 0.44 0.06 0.85 -0.83 -0.69 0.00 0.00 174.62 174.45 1wii s GLY 46 N 2.32 2.46 -0.22 4.40 0.00 0.32 -3.46 107.32 113.14 1wii s GLY 46 Ca 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 44.95 1wii s GLY 46 CO -0.08 1.57 -0.06 0.14 0.00 0.00 0.00 173.10 174.67 1wii s VAL 47 N 1.49 3.11 0.27 1.40 1.01 -0.57 -1.34 120.40 125.78 1wii s VAL 47 Ca 0.42 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1wii s VAL 47 Cb -0.18 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1wii s VAL 47 CO 0.18 0.38 0.17 -0.51 0.00 0.00 0.00 175.10 175.32 1wii s ILE 48 N 1.42 4.05 0.23 2.22 2.07 -0.24 -0.38 121.20 130.57 1wii s ILE 48 Ca 0.04 -1.50 -0.21 0.00 -1.41 0.00 0.00 60.65 57.57 1wii s ILE 48 Cb -0.15 -3.25 0.04 0.00 0.13 0.00 0.00 42.46 39.23 1wii s ILE 48 CO -0.05 -0.32 0.66 -0.94 -1.91 0.00 0.00 174.94 172.39 1wii s SER 49 N -3.84 -0.36 0.34 4.50 1.04 -0.97 -0.80 113.70 113.60 1wii s SER 49 Ca 0.34 -0.40 0.08 0.00 0.48 0.00 0.00 55.95 56.45 1wii s SER 49 Cb -0.07 0.67 -0.05 0.00 0.10 0.00 0.00 66.02 66.68 1wii s SER 49 CO 0.24 -1.20 0.10 0.00 0.98 0.00 0.00 173.24 173.37 1wii n THR 51 N -1.09 1.51 0.00 0.00 -2.24 -0.42 -4.24 114.28 107.80 1wii n THR 51 Ca -0.04 -1.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.96 1wii n THR 51 Cb 0.61 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.12 0.00 0.76 2.28 0.31 -1.26 -4.83 118.33 114.47 1wii n VAL 52 Ca 0.12 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.55 1wii n VAL 52 Cb 0.60 -0.89 -0.11 0.00 -0.91 0.00 0.00 33.84 32.53 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 -1.69 -3.89 -4.87 0.00 4.77 -1.26 -5.06 117.00 105.00 1wii n LEU 54 Ca 0.02 -0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 55.38 1wii n LEU 54 Cb 0.39 -1.96 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1wii n LEU 54 CO 0.43 0.07 0.01 -1.61 -1.33 0.00 0.00 177.39 174.96 1wii s GLU 55 N -3.84 2.31 -0.29 3.23 0.41 -1.26 -4.91 118.70 114.35 1wii s GLU 55 Ca 0.22 -1.89 -0.22 0.00 -0.41 0.00 0.00 54.97 52.68 1wii s GLU 55 Cb -0.03 -2.14 0.13 0.00 -1.78 0.00 0.00 34.13 30.31 1wii s GLU 55 CO 0.40 -0.45 1.04 -2.00 -0.49 0.00 0.00 175.26 173.76 1wii s GLU 56 N -4.19 0.43 0.07 1.61 2.12 -1.26 -1.88 118.70 115.60 1wii s GLU 56 Ca 0.38 0.59 0.01 0.00 0.36 0.00 0.00 54.97 56.31 1wii s GLU 56 Cb -0.01 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.51 1wii s GLU 56 CO 0.23 -0.06 -0.05 0.12 -0.54 0.00 0.00 175.26 174.95 1wii s PHE 57 N 0.60 0.70 0.12 5.30 5.36 0.02 -4.97 117.98 125.11 1wii s PHE 57 Ca -0.01 -0.89 0.09 0.00 -0.96 0.00 0.00 56.93 55.16 1wii s PHE 57 Cb -0.05 -0.44 -0.04 0.00 -0.34 0.00 0.00 43.02 42.16 1wii s PHE 57 CO -0.10 -0.22 -0.21 -0.65 -1.46 0.00 0.00 175.22 172.58 1wii s GLN 58 N -3.45 1.18 -0.23 10.12 -0.21 -1.26 -1.08 119.66 124.73 1wii s GLN 58 Ca 0.06 -1.23 -0.26 0.00 0.02 0.00 0.00 55.36 53.95 1wii s GLN 58 Cb 0.03 -1.45 0.09 0.00 1.00 0.00 0.00 33.01 32.68 1wii s GLN 58 CO -0.06 0.33 0.81 -0.08 -2.12 0.00 0.00 175.29 174.18 1wii s THR 59 N -1.29 0.00 0.00 -0.19 -1.32 -0.45 -5.00 115.64 107.40 1wii s THR 59 Ca 0.09 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.27 1wii s THR 59 Cb -0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.84 1wii s THR 59 CO 0.05 0.00 1.45 -2.16 -2.21 0.00 0.00 174.62 171.75 1wii s PRO 60 N -0.01 4.26 0.34 7.08 0.04 -1.26 0.12 135.00 145.58 1wii s PRO 60 Ca -0.01 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1wii s PRO 60 Cb -0.04 -3.60 -0.03 0.00 0.04 0.00 0.00 34.50 30.87 1wii s PRO 60 CO 0.01 -0.61 0.20 0.96 0.04 0.00 0.00 177.00 177.59 1wii s ILE 61 N 2.53 0.25 0.07 0.56 -5.25 -0.22 -4.78 121.20 114.37 1wii s ILE 61 Ca 0.66 -2.00 -0.05 0.00 -0.99 0.00 0.00 60.65 58.27 1wii s ILE 61 Cb -0.32 -2.45 -0.02 0.00 2.95 0.00 0.00 42.46 42.61 1wii s ILE 61 CO 0.27 0.00 0.08 0.42 -1.79 0.00 0.00 174.94 173.92 1wii s THR 62 N -3.44 0.18 0.44 8.37 -4.23 -1.26 -4.04 115.64 111.66 1wii s THR 62 Ca 0.34 -1.52 0.33 0.00 -1.18 0.00 0.00 61.69 59.66 1wii s THR 62 Cb 0.03 -1.47 0.51 0.00 1.34 0.00 0.00 72.50 72.91 1wii s THR 62 CO 0.21 -0.80 1.55 0.00 -0.54 0.00 0.00 174.62 175.03 1wii n TYR 63 N 0.02 0.65 0.03 3.99 4.11 -1.26 0.24 117.16 124.94 1wii n TYR 63 Ca -0.14 0.66 -0.15 0.00 -0.00 0.00 0.00 57.90 58.27 1wii n TYR 63 Cb 0.62 -1.10 -0.05 0.00 -0.00 0.00 0.00 39.34 38.81 1wii n TYR 63 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.86 176.79 1wii h LEU 64 N 0.00 0.72 -9.18 -3.48 3.38 -2.04 -3.46 115.31 101.25 1wii h LEU 64 Ca 0.88 -0.53 -0.55 0.00 0.09 0.00 0.00 57.88 57.77 1wii h LEU 64 Cb 2.87 -0.22 0.23 0.00 0.09 0.00 0.00 40.66 43.63 1wii h LEU 64 CO -0.44 1.31 -1.50 -1.20 0.09 0.00 0.00 178.44 176.71 1wii n SER 65 N -3.84 -4.89 -4.41 -0.43 7.64 0.65 -5.00 113.62 103.34 1wii n SER 65 Ca -0.07 0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.84 1wii n SER 65 Cb 0.80 -0.87 -0.10 0.00 -1.01 0.00 0.00 64.21 63.02 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 -2.29 1.51 0.00 1.43 2.02 -1.26 -4.86 118.70 115.25 1wii s GLU 66 Ca 0.46 -1.65 0.15 0.00 0.02 0.00 0.00 54.97 53.95 1wii s GLU 66 Cb -0.22 -1.53 0.75 0.00 0.10 0.00 0.00 34.13 33.23 1wii s GLU 66 CO 0.78 0.29 1.40 -0.35 0.02 0.00 0.00 175.26 177.40 1wii n PRO 67 N -0.35 0.22 -0.04 0.39 -0.04 -1.26 -2.34 135.00 131.58 1wii n PRO 67 Ca -0.08 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 1wii n PRO 67 Cb 0.59 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 1.32 -0.04 0.52 3.14 -1.26 -4.25 118.33 116.48 1wii n VAL 68 Ca 0.07 -0.78 -0.12 0.00 -2.96 0.00 0.00 64.34 60.55 1wii n VAL 68 Cb 0.11 -0.66 -0.07 0.00 -1.06 0.00 0.00 33.84 32.16 1wii n VAL 68 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1wii h ASP 69 N 0.00 0.22 -1.00 6.55 3.32 -1.88 -3.05 116.42 120.59 1wii h ASP 69 Ca -0.35 -0.38 0.21 0.00 0.02 0.00 0.00 57.03 56.53 1wii h ASP 69 Cb 1.95 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 41.34 1wii h ASP 69 CO 0.05 0.56 0.62 0.58 -1.72 0.00 0.00 179.24 179.32 1wii h VAL 70 N -0.11 0.65 0.39 -1.35 2.07 -1.76 -1.43 116.25 114.71 1wii h VAL 70 Ca 0.03 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1wii h VAL 70 Cb 0.46 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1wii h VAL 70 CO 0.01 0.12 -0.19 0.22 0.02 0.00 0.00 177.57 177.75 1wii h TYR 71 N 0.63 -0.48 -0.78 1.57 3.20 -1.71 -1.97 116.97 117.43 1wii h TYR 71 Ca 0.57 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.57 1wii h TYR 71 Cb 1.08 0.16 -0.09 0.00 1.54 0.00 0.00 36.73 39.41 1wii h TYR 71 CO -0.00 -0.25 0.35 1.03 -1.64 0.00 0.00 178.16 177.64 1wii h SER 72 N -0.60 0.38 -0.36 -2.11 0.87 -1.20 -1.11 113.55 109.41 1wii h SER 72 Ca -0.05 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1wii h SER 72 Cb 0.45 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1wii h SER 72 CO 0.09 0.16 0.23 0.44 -0.53 0.00 0.00 176.83 177.22 1wii h ASP 73 N 0.52 0.40 -0.80 6.23 3.32 -1.19 -2.08 116.42 122.81 1wii h ASP 73 Ca 0.42 -0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.62 1wii h ASP 73 Cb 0.61 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1wii h ASP 73 CO -0.37 0.29 0.53 -0.25 -1.72 0.00 0.00 179.24 177.72 1wii h TRP 74 N 0.48 0.54 0.75 4.55 7.01 -0.43 0.85 115.95 129.71 1wii h TRP 74 Ca 0.14 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.11 1wii h TRP 74 Cb -0.04 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 26.86 1wii h TRP 74 CO -0.06 0.19 -0.36 0.82 -2.79 0.00 0.00 178.44 176.25 1wii h ILE 75 N 0.45 0.00 0.00 2.65 1.08 -0.97 -2.44 117.51 118.29 1wii h ILE 75 Ca 0.40 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.77 1wii h ILE 75 Cb 0.90 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.65 1wii h ILE 75 CO -0.14 0.00 -0.02 0.44 -0.69 0.00 0.00 178.15 177.73 1wii h ASP 76 N -1.11 0.00 -0.18 1.72 3.32 -1.32 -1.22 116.42 117.63 1wii h ASP 76 Ca -0.10 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 1wii h ASP 76 Cb 0.77 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1wii h ASP 76 CO 0.17 0.02 -0.08 0.00 -1.72 0.00 0.00 179.24 177.64 1wii h ALA 77 N 1.98 1.28 0.09 3.45 0.00 -0.65 -3.19 119.26 122.22 1wii h ALA 77 Ca -0.00 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.44 1wii h ALA 77 Cb 0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1wii h ALA 77 CO 0.00 0.48 -1.16 0.00 0.00 0.00 0.00 179.25 178.57 1wii n GLU 79 N -4.10 -0.06 -2.73 0.00 1.02 -0.57 -3.66 120.64 110.55 1wii n GLU 79 Ca -0.23 1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.60 1wii n GLU 79 Cb 0.81 -1.83 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 1wii n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wii s SER 80 N -4.88 7.41 -0.96 1.62 0.15 -1.23 -4.14 113.70 111.68 1wii s SER 80 Ca -0.09 1.70 -0.11 0.00 0.70 0.00 0.00 55.95 58.16 1wii s SER 80 Cb 0.24 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 1wii s SER 80 CO 0.59 -0.18 0.70 0.61 1.20 0.00 0.00 173.24 176.16 1wii n GLY 81 N 2.64 -1.14 3.63 9.45 0.00 -1.26 -4.95 105.19 113.56 1wii n GLY 81 Ca 0.04 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 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 -5.16 -0.52 -0.34 1.61 0.04 -1.24 -5.01 135.00 124.37 1wii s PRO 82 Ca 0.22 0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.43 1wii s PRO 82 Cb -0.09 -1.66 0.13 0.00 0.04 0.00 0.00 34.50 32.93 1wii s PRO 82 CO 0.86 -3.30 0.20 -1.54 0.04 0.00 0.00 177.00 173.26 1wii s SER 83 N -3.70 3.03 -0.24 6.66 1.04 -1.26 -5.10 113.70 114.14 1wii s SER 83 Ca 0.68 -2.03 -0.30 0.00 0.48 0.00 0.00 55.95 54.78 1wii s SER 83 Cb -0.14 -0.37 -0.07 0.00 0.10 0.00 0.00 66.02 65.54 1wii s SER 83 CO 0.57 -0.33 2.19 -1.54 0.98 0.00 0.00 173.24 175.11 1wii n SER 84 N 4.25 2.99 0.00 7.02 3.41 -1.26 -5.25 113.62 124.77 1wii n SER 84 Ca 0.09 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1wii n SER 84 Cb 0.38 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1wii n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49