#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 -0.57 -0.08 1.61 1.04 -1.26 -5.18 113.70 109.27 1wii s SER 2 Ca 0.00 0.37 -0.24 0.00 0.48 0.00 0.00 55.95 56.55 1wii s SER 2 Cb 0.00 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.71 1wii s SER 2 CO 0.00 -0.73 0.56 -0.44 0.98 0.00 0.00 173.24 173.61 1wii s SER 3 N -1.82 -0.53 0.10 7.02 0.01 -1.26 -5.18 113.70 112.05 1wii s SER 3 Ca -0.06 0.66 -0.21 0.00 1.31 0.00 0.00 55.95 57.65 1wii s SER 3 Cb -0.01 0.63 0.05 0.00 0.21 0.00 0.00 66.02 66.91 1wii s SER 3 CO 0.01 -0.48 0.50 -0.83 0.41 0.00 0.00 173.24 172.85 1wii s GLY 4 N -0.89 -0.43 0.02 3.44 0.00 -1.26 -5.18 107.32 103.02 1wii s GLY 4 Ca -0.09 0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.72 1wii s GLY 4 CO 0.06 0.08 1.24 -0.45 0.00 0.00 0.00 173.10 174.03 1wii s SER 5 N -2.43 -0.02 -0.30 1.64 0.15 -1.26 -5.15 113.70 106.33 1wii s SER 5 Ca -0.01 -0.26 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 1wii s SER 5 Cb 0.00 0.21 0.18 0.00 -1.71 0.00 0.00 66.02 64.71 1wii s SER 5 CO -0.08 -0.42 1.19 -0.55 1.20 0.00 0.00 173.24 174.59 1wii s SER 6 N -3.45 -0.02 0.00 5.45 0.15 -1.26 -5.18 113.70 109.39 1wii s SER 6 Ca 0.23 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1wii s SER 6 Cb 0.01 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1wii s SER 6 CO -0.01 -0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.04 1wii n GLY 7 N 4.92 4.46 3.50 9.45 0.00 -1.26 -5.17 105.19 121.09 1wii n GLY 7 Ca 0.11 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.01 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 2.42 1.76 -0.02 1.61 3.00 -1.26 -5.14 118.95 121.32 1wii s ARG 8 Ca 0.00 -1.99 -0.14 0.00 0.00 0.00 0.00 55.73 53.60 1wii s ARG 8 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 34.95 33.86 1wii s ARG 8 CO 0.00 -0.19 0.37 0.15 0.00 0.00 0.00 175.30 175.63 1wii s LYS 9 N -3.84 3.86 0.44 3.54 -0.14 -1.26 -5.07 119.74 117.27 1wii s LYS 9 Ca 0.34 0.34 -0.24 0.00 -1.36 0.00 0.00 55.97 55.05 1wii s LYS 9 Cb 0.08 -3.22 -0.08 0.00 -1.68 0.00 0.00 37.83 32.93 1wii s LYS 9 CO 0.15 0.69 1.17 -1.25 -0.76 0.00 0.00 175.35 175.36 1wii s PRO 10 N -1.03 3.87 0.48 -1.68 0.04 -1.26 -5.01 135.00 130.41 1wii s PRO 10 Ca 0.22 1.82 -0.22 0.00 0.04 0.00 0.00 61.00 62.86 1wii s PRO 10 Cb -0.16 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1wii s PRO 10 CO 0.12 -0.47 1.16 -1.25 0.04 0.00 0.00 177.00 176.59 1wii s PRO 11 N -2.54 3.68 0.61 0.56 0.04 -1.26 -5.01 135.00 131.08 1wii s PRO 11 Ca 0.61 1.74 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1wii s PRO 11 Cb -0.30 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.89 1wii s PRO 11 CO 0.37 -0.61 1.12 -1.25 0.04 0.00 0.00 177.00 176.67 1wii s PRO 12 N -2.82 3.02 0.36 0.56 0.04 -1.26 -5.07 135.00 129.83 1wii s PRO 12 Ca 0.65 1.47 0.04 0.00 0.04 0.00 0.00 61.00 63.20 1wii s PRO 12 Cb -0.27 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 1wii s PRO 12 CO 0.33 -1.09 0.13 0.15 0.04 0.00 0.00 177.00 176.56 1wii s LYS 13 N -3.79 1.77 0.82 4.56 3.01 -1.26 -5.13 119.74 119.71 1wii s LYS 13 Ca 0.69 -2.04 -0.16 0.00 -1.01 0.00 0.00 55.97 53.45 1wii s LYS 13 Cb -0.22 -0.44 -0.10 0.00 -1.01 0.00 0.00 37.83 36.07 1wii s LYS 13 CO 0.36 -0.43 -0.16 1.63 0.51 0.00 0.00 175.35 177.26 1wii n LYS 14 N -0.75 0.03 -1.45 1.68 4.76 -1.26 -4.67 118.16 116.50 1wii n LYS 14 Ca -0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1wii n LYS 14 Cb 0.65 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 1wii n LYS 14 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1wii n LYS 15 N 0.88 -3.83 -1.48 1.97 4.76 -1.26 -4.70 118.16 114.50 1wii n LYS 15 Ca 0.04 2.96 -0.31 0.00 -2.87 0.00 0.00 58.31 58.13 1wii n LYS 15 Cb 0.52 -3.67 0.07 0.00 -1.84 0.00 0.00 35.03 30.12 1wii n LYS 15 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1wii n MET 16 N -2.37 2.87 -3.19 1.97 2.81 -1.26 -4.87 117.12 113.08 1wii n MET 16 Ca 0.00 -3.49 -0.15 0.00 -1.81 0.00 0.00 57.70 52.25 1wii n MET 16 Cb 0.40 -2.27 0.06 0.00 -0.71 0.00 0.00 33.22 30.71 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 -0.88 -3.37 0.00 2.03 -1.04 -1.26 -5.03 114.28 104.73 1wii n THR 17 Ca 0.57 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 62.40 1wii n THR 17 Cb 0.79 -3.87 0.00 0.00 -1.82 0.00 0.00 70.33 65.43 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 -1.36 0.53 1.58 3.41 0.00 -1.26 -5.01 105.19 103.08 1wii n GLY 18 Ca -0.11 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -5.36 -1.94 2.61 -1.04 -1.26 -4.61 114.28 102.69 1wii n THR 19 Ca 0.00 2.26 -0.24 0.00 -2.04 0.00 0.00 64.05 64.03 1wii n THR 19 Cb 0.00 -3.17 -0.06 0.00 -1.82 0.00 0.00 70.33 65.28 1wii n THR 19 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1wii s LEU 20 N -1.77 3.02 0.11 -4.42 0.20 -1.26 -4.93 118.68 109.64 1wii s LEU 20 Ca 0.00 -0.80 0.03 0.00 0.69 0.00 0.00 54.13 54.05 1wii s LEU 20 Cb 0.00 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.15 1wii s LEU 20 CO 0.00 -3.18 0.17 -1.83 -0.29 0.00 0.00 176.35 171.22 1wii s GLU 21 N 7.33 3.15 -0.12 1.98 -1.05 -1.26 -5.00 118.70 123.73 1wii s GLU 21 Ca 0.74 -0.65 -0.01 0.00 -0.15 0.00 0.00 54.97 54.91 1wii s GLU 21 Cb -0.06 -2.84 0.03 0.00 -0.44 0.00 0.00 34.13 30.82 1wii s GLU 21 CO 0.05 0.55 2.27 0.25 0.95 0.00 0.00 175.26 179.33 1wii n THR 22 N 0.02 2.44 -3.66 1.83 -2.24 -1.26 -4.81 114.28 106.60 1wii n THR 22 Ca -0.07 -1.12 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1wii n THR 22 Cb 0.53 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.17 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 -0.49 0.95 0.28 -0.78 -0.21 -1.26 -4.69 119.66 113.45 1wii s GLN 23 Ca 0.21 -0.44 -0.15 0.00 0.02 0.00 0.00 55.36 55.01 1wii s GLN 23 Cb 0.14 0.42 0.01 0.00 1.00 0.00 0.00 33.01 34.58 1wii s GLN 23 CO -0.02 -0.34 0.57 -0.06 -2.12 0.00 0.00 175.29 173.33 1wii s PHE 24 N -2.75 0.23 0.06 0.91 0.40 -1.26 -5.03 117.98 110.55 1wii s PHE 24 Ca -0.04 -0.64 -0.16 0.00 -0.60 0.00 0.00 56.93 55.49 1wii s PHE 24 Cb -0.00 0.37 -0.06 0.00 0.51 0.00 0.00 43.02 43.84 1wii s PHE 24 CO -0.04 -1.12 0.50 0.99 0.70 0.00 0.00 175.22 176.24 1wii s THR 25 N -3.78 4.89 -0.25 0.64 2.01 -1.26 -3.65 115.64 114.23 1wii s THR 25 Ca 0.19 0.95 -0.21 0.00 0.31 0.00 0.00 61.69 62.93 1wii s THR 25 Cb -0.03 -3.78 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1wii s THR 25 CO 0.09 0.48 0.68 0.00 -0.69 0.00 0.00 174.62 175.18 1wii n PRO 27 N 5.78 0.08 -0.05 0.00 -0.04 -1.26 0.85 135.00 140.35 1wii n PRO 27 Ca 0.01 0.32 -0.01 0.00 -0.04 0.00 0.00 63.50 63.78 1wii n PRO 27 Cb 0.49 -1.65 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.00 0.00 0.54 -1.00 -2.00 -3.43 116.94 111.05 1wii h PHE 28 Ca 0.00 0.00 -0.38 0.00 2.81 0.00 0.00 57.97 60.40 1wii h PHE 28 Cb 0.29 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.78 1wii h PHE 28 CO 0.00 0.00 -2.45 0.00 -1.61 0.00 0.00 178.31 174.25 1wii n ASN 30 N -3.22 -3.63 -3.76 0.00 4.13 0.25 -5.01 115.26 104.02 1wii n ASN 30 Ca -0.45 0.21 -0.30 0.00 1.68 0.00 0.00 54.58 55.72 1wii n ASN 30 Cb 0.99 -2.19 -0.15 0.00 -1.54 0.00 0.00 39.78 36.89 1wii n ASN 30 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1wii s HIS 31 N -1.20 1.85 -0.29 3.10 3.76 -1.26 -4.92 115.29 116.33 1wii s HIS 31 Ca 0.05 -1.80 -0.26 0.00 -0.15 0.00 0.00 55.06 52.89 1wii s HIS 31 Cb -0.01 -1.78 -0.11 0.00 1.11 0.00 0.00 32.58 31.78 1wii s HIS 31 CO 0.21 -0.87 1.06 0.39 -0.85 0.00 0.00 174.74 174.68 1wii n GLU 32 N 4.81 0.00 -2.69 1.40 1.02 -1.26 -2.60 120.64 121.32 1wii n GLU 32 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1wii n GLU 32 Cb 0.42 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 1wii n GLU 32 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wii n LYS 33 N 3.22 -2.76 -2.27 3.49 5.02 -1.26 -5.01 118.16 118.58 1wii n LYS 33 Ca 0.24 2.33 -0.01 0.00 -2.02 0.00 0.00 58.31 58.85 1wii n LYS 33 Cb -0.03 -5.24 0.08 0.00 -0.02 0.00 0.00 35.03 29.83 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 0.18 -0.97 -3.82 4.39 7.64 -1.07 -5.03 113.62 114.94 1wii n SER 34 Ca 0.05 -1.80 -0.12 0.00 1.01 0.00 0.00 58.87 58.01 1wii n SER 34 Cb 0.21 0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.14 2.12 -0.15 0.00 -1.08 -0.44 -4.09 116.67 112.90 1wii s ASP 36 Ca -0.02 -0.35 -0.07 0.00 -0.52 0.00 0.00 52.55 51.58 1wii s ASP 36 Cb -0.02 -0.73 -0.04 0.00 -1.46 0.00 0.00 42.92 40.66 1wii s ASP 36 CO 0.01 0.12 0.09 -0.69 0.52 0.00 0.00 175.17 175.21 1wii s VAL 37 N 0.24 5.02 -0.38 1.11 1.01 -1.26 -1.49 120.40 124.64 1wii s VAL 37 Ca -0.08 0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1wii s VAL 37 Cb -0.13 -3.22 0.11 0.00 0.00 0.00 0.00 36.38 33.13 1wii s VAL 37 CO 0.03 0.53 0.10 -0.75 0.00 0.00 0.00 175.10 175.01 1wii s LYS 38 N -0.23 1.62 -0.88 2.72 2.47 0.23 -4.98 119.74 120.70 1wii s LYS 38 Ca 0.09 -2.03 -0.25 0.00 -1.56 0.00 0.00 55.97 52.22 1wii s LYS 38 Cb -0.12 -3.26 0.04 0.00 -1.46 0.00 0.00 37.83 33.04 1wii s LYS 38 CO 0.01 -0.98 1.35 -1.64 0.16 0.00 0.00 175.35 174.24 1wii s MET 39 N 0.67 3.39 -0.59 4.03 -1.94 -1.26 -0.17 119.30 123.43 1wii s MET 39 Ca 0.12 -0.73 -0.24 0.00 -1.71 0.00 0.00 55.69 53.13 1wii s MET 39 Cb -0.21 -4.78 0.05 0.00 2.01 0.00 0.00 34.83 31.91 1wii s MET 39 CO -0.06 -2.16 0.98 0.34 -0.01 0.00 0.00 175.02 174.11 1wii s ASP 40 N 4.33 6.28 0.09 3.03 -1.08 -0.91 -4.89 116.67 123.52 1wii s ASP 40 Ca 0.40 -0.52 -0.14 0.00 -0.52 0.00 0.00 52.55 51.77 1wii s ASP 40 Cb -0.04 -2.44 -0.15 0.00 -1.46 0.00 0.00 42.92 38.83 1wii s ASP 40 CO 0.02 -1.34 1.31 0.03 0.52 0.00 0.00 175.17 175.71 1wii h ARG 41 N 9.44 0.72 -0.89 4.34 2.47 -1.93 0.17 114.38 128.70 1wii h ARG 41 Ca -0.27 -0.54 0.23 0.00 -1.26 0.00 0.00 59.98 58.14 1wii h ARG 41 Cb 1.07 0.10 -0.16 0.00 -1.65 0.00 0.00 29.97 29.33 1wii h ARG 41 CO 1.13 1.16 0.06 0.00 0.56 0.00 0.00 179.97 182.88 1wii h ALA 42 N 0.56 1.06 -0.31 0.04 0.00 -1.95 0.24 119.26 118.91 1wii h ALA 42 Ca -0.03 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1wii h ALA 42 Cb 1.23 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1wii h ALA 42 CO 0.13 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 179.42 1wii n ARG 43 N -5.39 2.89 -4.40 0.00 5.12 -1.23 -4.97 116.66 108.69 1wii n ARG 43 Ca 0.20 -2.31 -0.39 0.00 -1.93 0.00 0.00 57.85 53.41 1wii n ARG 43 Cb 0.65 -1.46 -0.06 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.13 -1.92 -3.88 0.55 3.02 0.84 -4.85 115.26 109.16 1wii n ASN 44 Ca 0.15 -1.17 -0.21 0.00 -0.03 0.00 0.00 54.58 53.32 1wii n ASN 44 Cb 0.58 -2.02 -0.17 0.00 -0.61 0.00 0.00 39.78 37.56 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 -3.42 0.57 -0.05 3.41 2.01 0.35 0.40 115.64 118.92 1wii s THR 45 Ca 0.68 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.38 1wii s THR 45 Cb -0.39 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1wii s THR 45 CO 0.99 0.25 0.55 -0.83 -0.69 0.00 0.00 174.62 174.89 1wii s GLY 46 N 1.18 2.53 -0.23 4.40 0.00 0.27 -2.15 107.32 113.33 1wii s GLY 46 Ca -0.07 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.61 1wii s GLY 46 CO -0.01 0.77 -0.13 0.14 0.00 0.00 0.00 173.10 173.86 1wii s VAL 47 N 0.15 2.31 0.21 1.40 1.01 0.77 -0.84 120.40 125.41 1wii s VAL 47 Ca 0.30 -1.20 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1wii s VAL 47 Cb -0.17 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1wii s VAL 47 CO 0.15 0.25 0.30 -0.51 0.00 0.00 0.00 175.10 175.29 1wii s ILE 48 N 1.23 5.11 0.19 2.22 2.07 0.42 -0.60 121.20 131.84 1wii s ILE 48 Ca -0.01 -0.96 -0.13 0.00 -1.41 0.00 0.00 60.65 58.13 1wii s ILE 48 Cb -0.16 -3.72 0.01 0.00 0.13 0.00 0.00 42.46 38.71 1wii s ILE 48 CO -0.08 -0.25 0.41 -0.94 -1.91 0.00 0.00 174.94 172.17 1wii s SER 49 N -3.68 -0.10 0.38 4.50 1.04 -0.56 -0.21 113.70 115.06 1wii s SER 49 Ca 0.34 -0.70 0.08 0.00 0.48 0.00 0.00 55.95 56.15 1wii s SER 49 Cb -0.10 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 1wii s SER 49 CO 0.28 -0.99 0.25 0.00 0.98 0.00 0.00 173.24 173.77 1wii n THR 51 N -1.34 1.08 0.00 0.00 -2.24 -0.24 -4.33 114.28 107.23 1wii n THR 51 Ca -0.00 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.51 1wii n THR 51 Cb 0.62 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.78 0.00 0.58 2.28 0.31 -1.26 -4.84 118.33 114.62 1wii n VAL 52 Ca 0.08 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.50 1wii n VAL 52 Cb 0.58 -0.66 -0.12 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.67 -3.98 -4.69 0.00 4.77 -1.26 -5.06 117.00 105.10 1wii n LEU 54 Ca 0.01 -0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 55.38 1wii n LEU 54 Cb 0.35 -1.96 -0.08 0.00 -2.33 0.00 0.00 43.42 39.40 1wii n LEU 54 CO 0.38 0.02 -0.23 -1.61 -1.33 0.00 0.00 177.39 174.63 1wii s GLU 55 N -3.70 2.16 -0.15 3.23 0.41 -1.26 -4.91 118.70 114.47 1wii s GLU 55 Ca 0.23 -1.81 -0.20 0.00 -0.41 0.00 0.00 54.97 52.78 1wii s GLU 55 Cb -0.03 -1.94 0.05 0.00 -1.78 0.00 0.00 34.13 30.43 1wii s GLU 55 CO 0.39 -0.00 0.52 -2.00 -0.49 0.00 0.00 175.26 173.68 1wii s GLU 56 N -3.81 0.69 0.02 1.61 -6.30 -1.26 -0.91 118.70 108.74 1wii s GLU 56 Ca 0.38 0.53 -0.02 0.00 -2.50 0.00 0.00 54.97 53.35 1wii s GLU 56 Cb 0.03 0.33 -0.02 0.00 0.00 0.00 0.00 34.13 34.47 1wii s GLU 56 CO 0.21 -0.13 0.01 0.12 0.02 0.00 0.00 175.26 175.50 1wii s PHE 57 N -0.18 0.24 0.17 5.30 5.36 0.71 -4.97 117.98 124.61 1wii s PHE 57 Ca -0.04 -0.51 0.11 0.00 -0.96 0.00 0.00 56.93 55.53 1wii s PHE 57 Cb -0.03 -0.18 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 1wii s PHE 57 CO 0.03 -0.25 -0.23 -0.65 -1.46 0.00 0.00 175.22 172.66 1wii s GLN 58 N -1.84 1.56 -0.23 10.12 -0.21 -1.26 -0.44 119.66 127.36 1wii s GLN 58 Ca -0.12 -1.44 -0.26 0.00 0.02 0.00 0.00 55.36 53.55 1wii s GLN 58 Cb -0.07 -1.90 0.09 0.00 1.00 0.00 0.00 33.01 32.13 1wii s GLN 58 CO -0.02 0.42 0.82 -0.08 -2.12 0.00 0.00 175.29 174.31 1wii s THR 59 N -1.52 0.00 -0.01 -0.19 -1.32 -0.02 -5.00 115.64 107.58 1wii s THR 59 Ca 0.20 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.37 1wii s THR 59 Cb -0.09 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 1wii s THR 59 CO 0.10 0.00 1.46 -2.16 -2.21 0.00 0.00 174.62 171.80 1wii s PRO 60 N 0.01 4.25 0.34 7.08 0.04 -1.26 0.95 135.00 146.41 1wii s PRO 60 Ca -0.01 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.09 1wii s PRO 60 Cb -0.04 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 1wii s PRO 60 CO 0.00 -0.64 0.07 0.96 0.04 0.00 0.00 177.00 177.43 1wii s ILE 61 N 2.75 1.03 0.11 0.56 -5.25 0.16 -4.79 121.20 115.77 1wii s ILE 61 Ca 0.66 -2.00 -0.02 0.00 -0.99 0.00 0.00 60.65 58.30 1wii s ILE 61 Cb -0.32 -2.68 -0.04 0.00 2.95 0.00 0.00 42.46 42.37 1wii s ILE 61 CO 0.27 0.00 0.05 0.42 -1.79 0.00 0.00 174.94 173.89 1wii s THR 62 N -3.30 0.13 0.53 8.37 -4.23 -1.26 -4.23 115.64 111.66 1wii s THR 62 Ca 0.33 -1.84 0.41 0.00 -1.18 0.00 0.00 61.69 59.42 1wii s THR 62 Cb 0.07 -1.88 0.62 0.00 1.34 0.00 0.00 72.50 72.66 1wii s THR 62 CO 0.15 -0.60 1.69 0.22 -0.54 0.00 0.00 174.62 175.54 1wii h TYR 63 N 2.92 0.08 0.16 3.99 3.20 -1.96 1.13 116.97 126.48 1wii h TYR 63 Ca -0.35 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.24 1wii h TYR 63 Cb 1.19 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.45 1wii h TYR 63 CO 0.46 -0.02 -1.31 -0.07 -1.64 0.00 0.00 178.16 175.58 1wii h LEU 64 N 0.02 0.52 -9.20 2.82 3.38 -2.04 -3.47 115.31 107.35 1wii h LEU 64 Ca 0.75 -0.57 -0.50 0.00 0.09 0.00 0.00 57.88 57.66 1wii h LEU 64 Cb 2.92 -0.17 0.25 0.00 0.09 0.00 0.00 40.66 43.75 1wii h LEU 64 CO -0.06 1.44 -2.09 -1.20 0.09 0.00 0.00 178.44 176.62 1wii n SER 65 N -3.57 -3.35 -4.14 -0.43 7.64 0.39 -5.02 113.62 105.14 1wii n SER 65 Ca -0.11 0.02 -0.09 0.00 1.01 0.00 0.00 58.87 59.71 1wii n SER 65 Cb 1.04 -0.69 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.42 0.81 0.00 1.43 2.02 -1.26 -4.88 118.70 114.39 1wii s GLU 66 Ca 0.42 -1.35 0.15 0.00 0.02 0.00 0.00 54.97 54.22 1wii s GLU 66 Cb -0.01 0.10 0.72 0.00 0.10 0.00 0.00 34.13 35.04 1wii s GLU 66 CO 0.69 -0.15 1.42 -0.35 0.02 0.00 0.00 175.26 176.89 1wii n PRO 67 N -0.02 0.17 -0.05 0.39 -0.04 -1.26 -2.54 135.00 131.66 1wii n PRO 67 Ca -0.10 0.17 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 1wii n PRO 67 Cb 0.62 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.32 1.59 -0.04 0.52 3.14 -1.26 -4.30 118.33 116.65 1wii n VAL 68 Ca 0.06 -0.74 -0.11 0.00 -2.96 0.00 0.00 64.34 60.59 1wii n VAL 68 Cb 0.13 -1.15 -0.06 0.00 -1.06 0.00 0.00 33.84 31.70 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 0.02 0.22 -1.00 6.55 1.82 -1.91 -2.92 116.42 119.20 1wii h ASP 69 Ca -0.42 -0.24 0.29 0.00 -0.39 0.00 0.00 57.03 56.27 1wii h ASP 69 Cb 2.05 -0.06 -0.14 0.00 0.68 0.00 0.00 39.33 41.86 1wii h ASP 69 CO 0.05 0.41 0.58 0.58 -1.61 0.00 0.00 179.24 179.25 1wii h VAL 70 N 0.03 0.39 0.64 2.25 2.07 -1.75 -0.77 116.25 119.12 1wii h VAL 70 Ca 0.04 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1wii h VAL 70 Cb 0.28 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1wii h VAL 70 CO 0.00 0.08 -0.31 0.22 0.02 0.00 0.00 177.57 177.58 1wii h TYR 71 N 0.43 -0.80 -0.85 1.57 3.20 -1.70 -0.30 116.97 118.51 1wii h TYR 71 Ca 0.70 -0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.76 1wii h TYR 71 Cb 1.50 0.27 -0.13 0.00 1.54 0.00 0.00 36.73 39.90 1wii h TYR 71 CO -0.01 -0.50 0.27 1.03 -1.64 0.00 0.00 178.16 177.32 1wii h SER 72 N -0.96 0.11 -0.18 -2.11 0.87 -1.26 0.54 113.55 110.56 1wii h SER 72 Ca -0.09 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1wii h SER 72 Cb 0.66 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1wii h SER 72 CO 0.15 -0.08 0.08 0.44 -0.53 0.00 0.00 176.83 176.89 1wii h ASP 73 N 0.28 0.24 -1.00 6.23 5.19 -1.10 -2.75 116.42 123.51 1wii h ASP 73 Ca 0.52 -0.14 0.18 0.00 -0.62 0.00 0.00 57.03 56.97 1wii h ASP 73 Cb 1.00 -0.06 -0.10 0.00 0.18 0.00 0.00 39.33 40.35 1wii h ASP 73 CO -0.58 0.31 0.60 -0.25 -3.12 0.00 0.00 179.24 176.21 1wii h TRP 74 N 0.15 1.07 0.54 4.55 7.01 0.92 0.39 115.95 130.57 1wii h TRP 74 Ca 0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1wii h TRP 74 Cb 0.14 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 1wii h TRP 74 CO -0.02 0.27 -0.32 0.82 -2.79 0.00 0.00 178.44 176.39 1wii h ILE 75 N 0.80 0.00 0.00 2.65 1.08 -1.06 -1.92 117.51 119.06 1wii h ILE 75 Ca 0.56 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 65.02 1wii h ILE 75 Cb 0.81 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1wii h ILE 75 CO -0.36 0.00 -0.06 0.44 -0.69 0.00 0.00 178.15 177.47 1wii h ASP 76 N -0.80 0.00 -0.52 1.72 5.19 -1.34 -0.72 116.42 119.95 1wii h ASP 76 Ca -0.07 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1wii h ASP 76 Cb 0.64 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.13 1wii h ASP 76 CO 0.08 0.06 0.21 0.00 -3.12 0.00 0.00 179.24 176.47 1wii h ALA 77 N 1.94 1.31 0.10 3.45 0.00 0.11 -1.72 119.26 124.44 1wii h ALA 77 Ca -0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.48 1wii h ALA 77 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1wii h ALA 77 CO 0.01 0.51 -1.42 0.00 0.00 0.00 0.00 179.25 178.34 1wii h GLU 79 N -0.37 -0.06 -1.07 0.00 5.08 -1.13 -3.40 114.58 113.65 1wii h GLU 79 Ca -0.32 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 1wii h GLU 79 Cb 1.72 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.79 1wii h GLU 79 CO 0.03 -0.04 -0.49 -1.54 -1.00 0.00 0.00 179.01 175.97 1wii s SER 80 N -5.17 -1.33 0.00 1.42 1.04 -0.65 -5.03 113.70 103.97 1wii s SER 80 Ca -0.14 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1wii s SER 80 Cb 0.14 1.83 0.00 0.00 0.10 0.00 0.00 66.02 68.09 1wii s SER 80 CO 0.70 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1wii n GLY 81 N 3.78 1.32 3.65 7.32 0.00 -1.10 -4.73 105.19 115.43 1wii n GLY 81 Ca 0.14 0.21 -0.29 0.00 0.00 0.00 0.00 46.02 46.08 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 4.15 -0.04 0.00 1.61 0.04 -1.11 -3.61 135.00 136.04 1wii s PRO 82 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1wii s PRO 82 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1wii s PRO 82 CO 0.00 -3.01 0.00 0.45 0.04 0.00 0.00 177.00 174.48 1wii n SER 83 N -4.35 0.00 -3.47 6.66 2.88 -1.26 -4.60 113.62 109.48 1wii n SER 83 Ca 0.07 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.62 1wii n SER 83 Cb 0.58 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.01 1wii n SER 83 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wii s SER 84 N 0.00 -1.16 0.00 -3.46 0.01 -1.25 -5.19 113.70 102.64 1wii s SER 84 Ca 0.00 1.29 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1wii s SER 84 Cb 0.00 2.20 0.00 0.00 0.21 0.00 0.00 66.02 68.43 1wii s SER 84 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04