#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgd n SER 2 N 0.00 -1.55 -4.56 1.61 2.88 -1.26 -5.04 113.62 105.70 1wgd n SER 2 Ca 0.00 0.59 -0.41 0.00 -1.33 0.00 0.00 58.87 57.72 1wgd n SER 2 Cb 0.00 1.59 -0.03 0.00 -0.75 0.00 0.00 64.21 65.03 1wgd n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgd s SER 3 N -3.89 5.90 -0.32 -3.46 0.01 -1.26 -4.95 113.70 105.74 1wgd s SER 3 Ca 0.00 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.35 1wgd s SER 3 Cb 0.00 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.77 1wgd s SER 3 CO 0.00 -1.94 0.02 -0.83 0.41 0.00 0.00 173.24 170.90 1wgd s GLY 4 N 5.22 1.80 -0.48 3.44 0.00 -1.26 -5.07 107.32 110.97 1wgd s GLY 4 Ca 0.51 -2.28 -0.22 0.00 0.00 0.00 0.00 44.72 42.72 1wgd s GLY 4 CO 0.20 0.92 0.78 -0.45 0.00 0.00 0.00 173.10 174.55 1wgd s SER 5 N 1.01 6.35 -0.30 1.64 0.15 -1.26 -4.95 113.70 116.34 1wgd s SER 5 Ca 0.06 -0.32 -0.16 0.00 0.70 0.00 0.00 55.95 56.23 1wgd s SER 5 Cb -0.19 -2.37 0.18 0.00 -1.71 0.00 0.00 66.02 61.92 1wgd s SER 5 CO -0.08 -0.97 1.09 -0.55 1.20 0.00 0.00 173.24 173.93 1wgd s SER 6 N 2.36 -0.40 0.00 5.45 0.15 -1.26 -5.16 113.70 114.83 1wgd s SER 6 Ca 0.27 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1wgd s SER 6 Cb -0.13 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1wgd s SER 6 CO 0.20 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wgd n GLY 7 N 4.85 0.78 3.88 9.45 0.00 -1.26 -4.45 105.19 118.44 1wgd n GLY 7 Ca -0.08 -2.04 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 1wgd n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wgd s VAL 8 N -1.69 2.09 -0.28 1.61 -7.23 -1.23 -4.80 120.40 108.88 1wgd s VAL 8 Ca 0.00 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 1wgd s VAL 8 Cb 0.00 -2.54 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1wgd s VAL 8 CO 0.00 0.00 0.03 -0.89 -0.31 0.00 0.00 175.10 173.93 1wgd s THR 9 N -2.65 3.65 -0.24 5.32 2.01 -1.26 0.16 115.64 122.63 1wgd s THR 9 Ca 0.41 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.58 1wgd s THR 9 Cb -0.02 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1wgd s THR 9 CO 0.24 0.14 0.06 -0.76 -0.69 0.00 0.00 174.62 173.61 1wgd s LEU 10 N 1.45 3.39 -0.65 4.42 1.43 -0.14 -0.63 118.68 127.96 1wgd s LEU 10 Ca 0.02 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1wgd s LEU 10 Cb -0.17 -1.91 0.09 0.00 0.03 0.00 0.00 46.19 44.23 1wgd s LEU 10 CO 0.00 -0.03 0.87 -0.22 0.23 0.00 0.00 176.35 177.21 1wgd s LEU 11 N 1.57 4.81 -0.76 1.79 2.96 0.67 -2.02 118.68 127.70 1wgd s LEU 11 Ca 0.06 -1.22 -0.26 0.00 -0.22 0.00 0.00 54.13 52.49 1wgd s LEU 11 Cb -0.15 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1wgd s LEU 11 CO 0.03 -1.30 1.69 -0.69 -1.32 0.00 0.00 176.35 174.76 1wgd s VAL 12 N 3.46 3.53 0.32 1.68 1.01 0.36 0.81 120.40 131.56 1wgd s VAL 12 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1wgd s VAL 12 Cb -0.19 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1wgd s VAL 12 CO 0.08 -1.27 0.55 -0.54 0.00 0.00 0.00 175.10 173.91 1wgd s LYS 13 N 6.47 3.54 -0.34 2.72 1.02 0.36 -2.03 119.74 131.48 1wgd s LYS 13 Ca 0.57 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.35 1wgd s LYS 13 Cb -0.09 -2.66 0.08 0.00 -0.52 0.00 0.00 37.83 34.64 1wgd s LYS 13 CO 0.11 0.18 0.08 -1.12 -0.92 0.00 0.00 175.35 173.67 1wgd s SER 14 N -3.68 4.97 -1.15 2.83 0.01 -1.26 -2.75 113.70 112.67 1wgd s SER 14 Ca 0.41 -1.72 -0.19 0.00 1.31 0.00 0.00 55.95 55.76 1wgd s SER 14 Cb -0.10 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 1wgd s SER 14 CO 0.34 -0.38 1.99 -0.81 0.41 0.00 0.00 173.24 174.79 1wgd n PRO 15 N 4.53 2.25 0.00 12.44 -0.04 -1.26 -2.27 135.00 150.65 1wgd n PRO 15 Ca -0.06 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 1wgd n PRO 15 Cb 0.42 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1wgd n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wgd n ASN 16 N 8.34 0.00 -0.09 3.54 3.02 -1.26 -4.96 115.26 123.84 1wgd n ASN 16 Ca 0.49 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.94 1wgd n ASN 16 Cb 0.42 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.56 1wgd n ASN 16 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1wgd h GLN 17 N 0.00 0.44 -6.51 3.52 4.15 -1.98 -3.47 115.11 111.25 1wgd h GLN 17 Ca 0.00 -0.08 -0.43 0.00 0.77 0.00 0.00 58.65 58.91 1wgd h GLN 17 Cb 0.00 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1wgd h GLN 17 CO 0.00 0.46 -1.09 0.54 -1.93 0.00 0.00 178.83 176.81 1wgd n ARG 18 N -4.74 -1.60 0.10 1.69 1.74 -0.96 -4.88 116.66 108.01 1wgd n ARG 18 Ca -0.02 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 1wgd n ARG 18 Cb 0.14 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1wgd n ARG 18 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wgd n HIS 19 N -1.55 -1.73 -3.96 -1.55 -0.00 -1.26 -5.13 115.22 100.05 1wgd n HIS 19 Ca -0.22 0.30 -0.11 0.00 0.46 0.00 0.00 57.72 58.16 1wgd n HIS 19 Cb 0.65 0.49 -0.12 0.00 -0.12 0.00 0.00 29.99 30.89 1wgd n HIS 19 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1wgd s ARG 20 N -1.77 0.24 0.14 1.57 0.52 -1.26 -5.16 118.95 113.23 1wgd s ARG 20 Ca 0.00 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.81 1wgd s ARG 20 Cb 0.00 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.45 1wgd s ARG 20 CO 0.00 -0.02 0.29 0.16 0.02 0.00 0.00 175.30 175.75 1wgd s ASP 21 N -0.95 6.35 -0.20 0.23 1.47 -1.26 -4.70 116.67 117.61 1wgd s ASP 21 Ca -0.10 0.23 0.01 0.00 1.18 0.00 0.00 52.55 53.87 1wgd s ASP 21 Cb -0.07 -1.94 0.04 0.00 -0.34 0.00 0.00 42.92 40.62 1wgd s ASP 21 CO -0.01 0.06 -0.10 -0.22 0.68 0.00 0.00 175.17 175.58 1wgd s LEU 22 N -3.13 2.26 -0.20 2.11 2.96 -0.86 -4.96 118.68 116.85 1wgd s LEU 22 Ca 0.35 -0.88 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1wgd s LEU 22 Cb -0.11 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1wgd s LEU 22 CO 0.28 -0.15 0.07 -0.70 -1.32 0.00 0.00 176.35 174.53 1wgd s GLU 23 N 1.41 3.89 0.09 1.98 -6.30 -1.26 0.13 118.70 118.64 1wgd s GLU 23 Ca -0.01 -0.38 -0.04 0.00 -2.50 0.00 0.00 54.97 52.04 1wgd s GLU 23 Cb -0.16 -3.25 -0.03 0.00 0.00 0.00 0.00 34.13 30.69 1wgd s GLU 23 CO -0.08 0.15 0.07 -0.48 0.02 0.00 0.00 175.26 174.93 1wgd s LEU 24 N 0.72 1.94 0.58 2.70 2.34 -0.86 -4.96 118.68 121.15 1wgd s LEU 24 Ca 0.03 -0.94 -0.20 0.00 0.06 0.00 0.00 54.13 53.08 1wgd s LEU 24 Cb -0.13 0.52 -0.04 0.00 -0.56 0.00 0.00 46.19 45.98 1wgd s LEU 24 CO 0.02 -0.68 1.27 -0.55 -1.06 0.00 0.00 176.35 175.34 1wgd s SER 25 N -2.94 5.14 -0.34 1.48 0.15 -1.26 -0.96 113.70 114.96 1wgd s SER 25 Ca 0.11 2.55 0.16 0.00 0.70 0.00 0.00 55.95 59.46 1wgd s SER 25 Cb 0.07 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.20 1wgd s SER 25 CO -0.07 -1.64 0.93 0.61 1.20 0.00 0.00 173.24 174.27 1wgd n GLY 26 N 0.67 2.36 3.43 9.45 0.00 0.43 -4.73 105.19 116.79 1wgd n GLY 26 Ca 0.13 -1.52 -0.57 0.00 0.00 0.00 0.00 46.02 44.05 1wgd n GLY 26 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wgd n ASP 27 N -0.05 -0.11 0.23 1.61 2.03 -1.26 -3.47 116.55 115.54 1wgd n ASP 27 Ca 0.15 1.14 0.13 0.00 0.52 0.00 0.00 54.79 56.72 1wgd n ASP 27 Cb 0.77 -0.91 0.70 0.00 -0.72 0.00 0.00 41.12 40.96 1wgd n ASP 27 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1wgd h ARG 28 N 2.79 0.00 0.02 -0.67 3.08 -1.93 0.35 114.38 118.02 1wgd h ARG 28 Ca -0.48 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.31 1wgd h ARG 28 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.42 1wgd h ARG 28 CO 0.63 0.00 -1.33 0.78 -1.07 0.00 0.00 179.97 178.98 1wgd h GLY 29 N 0.00 0.05 -1.70 0.04 0.00 -1.95 -0.19 103.07 99.33 1wgd h GLY 29 Ca 0.00 -0.13 -0.47 0.00 0.00 0.00 0.00 47.33 46.73 1wgd h GLY 29 CO 0.00 0.11 -1.63 0.79 0.00 0.00 0.00 176.54 175.81 1wgd n TRP 30 N -3.26 -1.47 -4.83 5.60 7.02 0.12 -4.77 117.44 115.85 1wgd n TRP 30 Ca -0.09 0.31 -0.27 0.00 -1.02 0.00 0.00 57.50 56.44 1wgd n TRP 30 Cb 1.00 -1.51 -0.17 0.00 -2.42 0.00 0.00 31.31 28.21 1wgd n TRP 30 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1wgd s SER 31 N -1.55 2.24 0.22 -0.99 0.01 -1.26 -3.23 113.70 109.14 1wgd s SER 31 Ca 0.49 -0.38 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 1wgd s SER 31 Cb -0.05 -0.91 0.26 0.00 0.21 0.00 0.00 66.02 65.52 1wgd s SER 31 CO 0.67 0.10 1.44 0.52 0.41 0.00 0.00 173.24 176.38 1wgd n VAL 32 N 3.54 -0.47 -0.30 3.43 0.31 -1.16 0.21 118.33 123.88 1wgd n VAL 32 Ca -0.20 2.17 -0.04 0.00 -0.01 0.00 0.00 64.34 66.25 1wgd n VAL 32 Cb 0.52 -2.88 0.08 0.00 -0.91 0.00 0.00 33.84 30.65 1wgd n VAL 32 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1wgd h GLY 33 N 0.00 1.19 0.70 2.92 0.00 -1.81 -2.42 103.07 103.66 1wgd h GLY 33 Ca 0.34 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1wgd h GLY 33 CO -0.93 0.47 -0.18 0.84 0.00 0.00 0.00 176.54 176.75 1wgd h HIS 34 N 1.13 -0.46 -0.97 5.60 6.17 0.17 -3.12 115.15 123.67 1wgd h HIS 34 Ca 0.30 -0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.46 1wgd h HIS 34 Cb -0.06 0.15 -0.12 0.00 2.52 0.00 0.00 27.41 29.91 1wgd h HIS 34 CO -0.01 -0.14 -0.55 -0.11 0.71 0.00 0.00 177.93 177.83 1wgd n LEU 35 N -5.19 -0.99 -0.38 0.26 7.94 0.56 -0.05 117.00 119.16 1wgd n LEU 35 Ca -0.10 1.72 -0.10 0.00 -1.11 0.00 0.00 56.01 56.42 1wgd n LEU 35 Cb 0.28 -0.24 -0.09 0.00 0.53 0.00 0.00 43.42 43.90 1wgd n LEU 35 CO 0.31 -1.41 0.47 0.29 -1.11 0.00 0.00 177.39 175.93 1wgd n LYS 36 N -5.23 -0.40 -0.24 1.96 5.02 -0.92 0.15 118.16 118.51 1wgd n LYS 36 Ca 0.03 1.43 0.04 0.00 -2.02 0.00 0.00 58.31 57.78 1wgd n LYS 36 Cb 0.26 -2.10 0.14 0.00 -0.02 0.00 0.00 35.03 33.31 1wgd n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wgd h ALA 37 N 0.38 0.71 -0.64 7.82 0.00 -0.40 0.86 119.26 128.00 1wgd h ALA 37 Ca 0.14 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1wgd h ALA 37 Cb 0.37 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1wgd h ALA 37 CO -0.85 -0.41 0.29 1.25 0.00 0.00 0.00 179.25 179.53 1wgd h HIS 38 N 0.10 0.91 0.86 0.00 -0.00 0.27 -2.96 115.15 114.33 1wgd h HIS 38 Ca 0.38 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.67 1wgd h HIS 38 Cb 0.65 -0.28 0.01 0.00 -0.00 0.00 0.00 27.41 27.78 1wgd h HIS 38 CO -0.41 0.68 -0.41 -0.07 -0.00 0.00 0.00 177.93 177.71 1wgd h LEU 39 N 0.90 -0.98 -1.85 0.26 3.38 0.81 -2.14 115.31 115.69 1wgd h LEU 39 Ca 0.22 0.03 0.54 0.00 0.09 0.00 0.00 57.88 58.76 1wgd h LEU 39 Cb 0.12 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1wgd h LEU 39 CO -0.03 -0.65 1.36 -1.54 0.09 0.00 0.00 178.44 177.67 1wgd n SER 40 N -5.34 0.00 0.02 -0.43 3.41 0.10 0.15 113.62 111.54 1wgd n SER 40 Ca -0.14 0.94 -0.01 0.00 -0.26 0.00 0.00 58.87 59.40 1wgd n SER 40 Cb 0.45 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1wgd n SER 40 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wgd h ARG 41 N 0.00 -0.06 -0.16 4.33 2.43 -1.24 -3.15 114.38 116.53 1wgd h ARG 41 Ca 0.88 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 60.10 1wgd h ARG 41 Cb 3.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 33.14 1wgd h ARG 41 CO -0.01 -0.04 0.43 -0.39 -1.51 0.00 0.00 179.97 178.46 1wgd h VAL 42 N -0.11 0.12 -3.32 0.20 -1.51 -0.40 -3.39 116.25 107.84 1wgd h VAL 42 Ca -0.01 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.89 1wgd h VAL 42 Cb 0.05 0.60 -0.06 0.00 -2.13 0.00 0.00 31.29 29.75 1wgd h VAL 42 CO 0.01 0.00 0.33 -0.47 -1.23 0.00 0.00 177.57 176.21 1wgd s TYR 43 N -4.27 3.47 -0.73 5.19 5.04 0.12 -4.98 117.35 121.20 1wgd s TYR 43 Ca -0.03 1.30 -0.26 0.00 -2.44 0.00 0.00 57.07 55.63 1wgd s TYR 43 Cb 0.10 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.43 1wgd s TYR 43 CO 0.35 -0.16 1.59 -1.25 -1.34 0.00 0.00 175.55 174.75 1wgd s PRO 44 N 1.78 2.94 0.00 4.97 0.04 -1.26 -2.99 135.00 140.48 1wgd s PRO 44 Ca 0.40 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.46 1wgd s PRO 44 Cb -0.17 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.92 1wgd s PRO 44 CO 0.15 -2.51 0.00 -0.85 0.04 0.00 0.00 177.00 173.83 1wgd n GLU 45 N 9.21 0.00 -3.00 4.56 0.28 -1.26 -4.99 120.64 125.44 1wgd n GLU 45 Ca 0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 57.03 1wgd n GLU 45 Cb 0.50 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.43 1wgd n GLU 45 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wgd n ARG 46 N 0.00 -1.97 -1.38 3.44 5.12 -1.16 -5.02 116.66 115.69 1wgd n ARG 46 Ca 0.00 0.75 -0.28 0.00 -1.93 0.00 0.00 57.85 56.39 1wgd n ARG 46 Cb 0.00 -5.22 0.21 0.00 -1.16 0.00 0.00 32.46 26.29 1wgd n ARG 46 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1wgd n PRO 47 N -2.99 -2.12 -4.15 5.56 -0.04 -1.26 -5.05 135.00 124.95 1wgd n PRO 47 Ca -0.06 -1.79 -0.35 0.00 -0.04 0.00 0.00 63.50 61.26 1wgd n PRO 47 Cb 0.60 -1.41 -0.08 0.00 -0.04 0.00 0.00 33.50 32.57 1wgd n PRO 47 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wgd s ARG 48 N -5.53 3.15 0.35 0.54 0.52 -1.26 -4.77 118.95 111.94 1wgd s ARG 48 Ca 0.69 -0.33 0.18 0.00 -0.52 0.00 0.00 55.73 55.75 1wgd s ARG 48 Cb -0.04 -2.94 0.48 0.00 0.52 0.00 0.00 34.95 32.97 1wgd s ARG 48 CO 0.50 0.72 1.64 -1.00 0.02 0.00 0.00 175.30 177.18 1wgd h PRO 49 N 4.86 0.00 0.00 3.54 0.13 -1.93 -0.93 132.00 137.67 1wgd h PRO 49 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1wgd h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1wgd h PRO 49 CO 0.57 0.40 0.00 -1.91 -0.23 0.00 0.00 178.00 176.84 1wgd n GLU 50 N -3.39 0.05 -0.04 0.86 0.00 -1.26 -2.63 120.64 114.24 1wgd n GLU 50 Ca 0.01 0.35 -0.04 0.00 0.00 0.00 0.00 57.16 57.48 1wgd n GLU 50 Cb 0.58 -1.61 -0.04 0.00 0.00 0.00 0.00 31.44 30.37 1wgd n GLU 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1wgd n ASP 51 N -1.71 3.39 -4.71 4.31 9.92 -1.07 -5.00 116.55 121.68 1wgd n ASP 51 Ca 0.02 -0.02 -0.59 0.00 -0.53 0.00 0.00 54.79 53.67 1wgd n ASP 51 Cb 0.15 0.27 -0.08 0.00 -0.64 0.00 0.00 41.12 40.82 1wgd n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgd n GLN 52 N -2.49 0.95 -3.49 -1.24 6.02 -0.38 -4.51 117.38 112.25 1wgd n GLN 52 Ca -0.12 0.35 -0.43 0.00 -0.01 0.00 0.00 57.00 56.79 1wgd n GLN 52 Cb 0.68 -2.01 -0.09 0.00 1.02 0.00 0.00 30.24 29.84 1wgd n GLN 52 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1wgd s ARG 53 N 3.58 2.88 -0.39 -1.09 0.52 -0.68 -4.94 118.95 118.84 1wgd s ARG 53 Ca 1.00 -1.21 -0.19 0.00 -0.52 0.00 0.00 55.73 54.80 1wgd s ARG 53 Cb -1.14 -3.95 0.01 0.00 0.52 0.00 0.00 34.95 30.39 1wgd s ARG 53 CO 0.68 -0.87 0.58 -0.51 0.02 0.00 0.00 175.30 175.21 1wgd s LEU 54 N 1.60 4.43 -0.25 2.53 1.02 -1.26 -0.49 118.68 126.27 1wgd s LEU 54 Ca 0.04 -0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.04 1wgd s LEU 54 Cb -0.21 -2.66 0.06 0.00 0.02 0.00 0.00 46.19 43.39 1wgd s LEU 54 CO 0.07 -0.62 -0.10 -0.63 0.02 0.00 0.00 176.35 175.09 1wgd s ILE 55 N 2.59 1.97 -1.00 -0.59 1.09 0.46 -1.45 121.20 124.28 1wgd s ILE 55 Ca 0.21 -1.46 0.28 0.00 -1.10 0.00 0.00 60.65 58.58 1wgd s ILE 55 Cb -0.15 -2.10 0.19 0.00 -1.06 0.00 0.00 42.46 39.34 1wgd s ILE 55 CO 0.16 -0.01 1.83 0.00 -0.10 0.00 0.00 174.94 176.82 1wgd n TYR 56 N 4.51 0.00 0.00 3.97 9.36 -1.15 -0.15 117.16 133.70 1wgd n TYR 56 Ca -0.14 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.08 1wgd n TYR 56 Cb 0.43 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 1wgd n TYR 56 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1wgd n SER 57 N -1.50 0.00 -1.71 2.98 7.64 -1.26 -4.82 113.62 114.95 1wgd n SER 57 Ca 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.90 1wgd n SER 57 Cb 0.34 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.53 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 58 N 0.00 0.02 2.88 0.23 0.00 -1.26 -4.82 105.19 102.24 1wgd n GLY 58 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1wgd n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wgd s LYS 59 N -3.52 0.35 0.62 1.61 1.02 -1.26 -5.14 119.74 113.43 1wgd s LYS 59 Ca 0.00 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.12 1wgd s LYS 59 Cb 0.00 -0.50 -0.02 0.00 -0.52 0.00 0.00 37.83 36.79 1wgd s LYS 59 CO 0.00 -0.81 1.21 -1.17 -0.92 0.00 0.00 175.35 173.66 1wgd s LEU 60 N 2.51 3.58 0.52 3.17 2.96 -1.26 -2.94 118.68 127.22 1wgd s LEU 60 Ca 0.11 2.38 -0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1wgd s LEU 60 Cb -0.14 -4.60 0.01 0.00 0.50 0.00 0.00 46.19 41.96 1wgd s LEU 60 CO -0.22 -1.74 0.77 -0.76 -1.32 0.00 0.00 176.35 173.08 1wgd s LEU 61 N -4.32 3.41 -0.06 -0.68 1.43 -0.53 -4.93 118.68 113.00 1wgd s LEU 61 Ca 0.77 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1wgd s LEU 61 Cb -0.30 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1wgd s LEU 61 CO 0.36 -0.95 -0.05 -0.76 0.23 0.00 0.00 176.35 175.18 1wgd s LEU 62 N -4.74 3.26 0.42 1.79 1.43 -1.26 -4.91 118.68 114.67 1wgd s LEU 62 Ca 0.53 -0.00 0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1wgd s LEU 62 Cb -0.10 -1.75 0.92 0.00 0.03 0.00 0.00 46.19 45.29 1wgd s LEU 62 CO 0.40 0.35 1.99 -0.78 0.23 0.00 0.00 176.35 178.54 1wgd h ASP 63 N 5.09 0.18 1.13 2.29 1.82 -1.97 0.12 116.42 125.09 1wgd h ASP 63 Ca -0.49 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1wgd h ASP 63 Cb 1.18 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1wgd h ASP 63 CO 0.53 0.27 0.00 0.00 -1.61 0.00 0.00 179.24 178.44 1wgd n HIS 64 N -4.36 0.89 -3.21 0.28 1.44 -1.26 -4.07 115.22 104.93 1wgd n HIS 64 Ca -0.01 0.30 -0.37 0.00 -2.01 0.00 0.00 57.72 55.64 1wgd n HIS 64 Cb 0.20 -0.99 -0.06 0.00 0.12 0.00 0.00 29.99 29.27 1wgd n HIS 64 CO 0.00 0.00 0.00 -0.65 -2.81 0.00 0.00 176.34 172.88 1wgd s GLN 65 N -3.21 4.17 0.11 -1.40 -1.52 0.43 -5.03 119.66 113.21 1wgd s GLN 65 Ca 0.08 0.74 0.03 0.00 -1.95 0.00 0.00 55.36 54.25 1wgd s GLN 65 Cb 0.11 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.86 1wgd s GLN 65 CO 0.50 0.49 0.17 0.00 -0.25 0.00 0.00 175.29 176.20 1wgd h LEU 67 N 2.80 0.63 0.00 0.00 3.38 -1.54 -1.47 115.31 119.12 1wgd h LEU 67 Ca -0.47 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1wgd h LEU 67 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wgd h LEU 67 CO 0.68 0.26 0.00 -1.14 0.09 0.00 0.00 178.44 178.34 1wgd n ARG 68 N -4.62 0.00 -0.32 1.13 0.63 -0.09 -1.24 116.66 112.16 1wgd n ARG 68 Ca 0.20 0.76 0.09 0.00 -0.92 0.00 0.00 57.85 57.99 1wgd n ARG 68 Cb 0.59 -1.41 0.26 0.00 0.45 0.00 0.00 32.46 32.34 1wgd n ARG 68 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1wgd h ASP 69 N 0.00 0.64 -3.31 6.15 1.82 -1.77 -3.41 116.42 116.53 1wgd h ASP 69 Ca 0.00 0.09 -0.41 0.00 -0.39 0.00 0.00 57.03 56.32 1wgd h ASP 69 Cb 0.00 -0.02 0.20 0.00 0.68 0.00 0.00 39.33 40.19 1wgd h ASP 69 CO 0.00 0.26 0.02 -0.76 -1.61 0.00 0.00 179.24 177.14 1wgd s LEU 70 N -10.33 0.18 0.44 2.28 1.43 -0.37 -4.83 118.68 107.48 1wgd s LEU 70 Ca -0.12 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 1wgd s LEU 70 Cb 0.23 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1wgd s LEU 70 CO 0.79 -4.48 0.00 0.18 0.23 0.00 0.00 176.35 173.07 1wgd n LEU 71 N -5.05 -0.76 -4.82 1.79 4.77 -1.26 -4.84 117.00 106.83 1wgd n LEU 71 Ca 0.09 1.76 -0.31 0.00 -0.03 0.00 0.00 56.01 57.52 1wgd n LEU 71 Cb 0.58 -3.36 0.05 0.00 -2.33 0.00 0.00 43.42 38.36 1wgd n LEU 71 CO 0.50 -2.01 0.71 -2.16 -1.33 0.00 0.00 177.39 173.10 1wgd s PRO 72 N -3.90 2.85 -0.42 3.23 0.04 -1.26 -4.99 135.00 130.55 1wgd s PRO 72 Ca 0.00 0.92 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 1wgd s PRO 72 Cb 0.00 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1wgd s PRO 72 CO 0.00 -1.15 1.00 0.15 0.04 0.00 0.00 177.00 177.04 1wgd s LYS 73 N -5.06 3.73 -0.16 4.56 1.02 -1.26 -4.49 119.74 118.08 1wgd s LYS 73 Ca 0.58 0.48 -0.07 0.00 0.02 0.00 0.00 55.97 56.98 1wgd s LYS 73 Cb -0.14 -3.87 0.03 0.00 -0.52 0.00 0.00 37.83 33.33 1wgd s LYS 73 CO 0.55 -1.15 0.14 1.04 -0.92 0.00 0.00 175.35 175.01 1wgd n GLN 74 N 7.20 -3.49 -3.84 1.68 3.00 -1.26 -5.06 117.38 115.62 1wgd n GLN 74 Ca 0.09 2.74 -0.08 0.00 -0.01 0.00 0.00 57.00 59.74 1wgd n GLN 74 Cb 0.48 -4.00 -0.00 0.00 0.00 0.00 0.00 30.24 26.72 1wgd n GLN 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1wgd s GLU 75 N -0.72 1.94 0.20 -1.09 0.41 -1.26 -5.17 118.70 113.01 1wgd s GLU 75 Ca -0.17 -1.14 -0.03 0.00 -0.41 0.00 0.00 54.97 53.22 1wgd s GLU 75 Cb 0.01 0.61 0.05 0.00 -1.78 0.00 0.00 34.13 33.02 1wgd s GLU 75 CO 0.58 -0.90 0.10 1.63 -0.49 0.00 0.00 175.26 176.19 1wgd n LYS 76 N -0.49 -1.34 -0.51 1.61 4.01 -1.26 -4.92 118.16 115.26 1wgd n LYS 76 Ca -0.06 -0.18 -0.17 0.00 -0.51 0.00 0.00 58.31 57.40 1wgd n LYS 76 Cb 0.59 -0.27 0.15 0.00 -0.51 0.00 0.00 35.03 34.99 1wgd n LYS 76 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wgd n ARG 77 N -1.84 -2.33 -4.33 1.97 1.74 -1.26 -5.01 116.66 105.60 1wgd n ARG 77 Ca 0.02 -0.69 -0.25 0.00 -0.77 0.00 0.00 57.85 56.16 1wgd n ARG 77 Cb 0.07 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 29.93 1wgd n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wgd s HIS 78 N -2.07 1.96 -0.20 -1.55 3.76 0.20 -5.02 115.29 112.37 1wgd s HIS 78 Ca 0.35 -0.41 -0.02 0.00 -0.15 0.00 0.00 55.06 54.82 1wgd s HIS 78 Cb -0.06 -1.04 0.06 0.00 1.11 0.00 0.00 32.58 32.65 1wgd s HIS 78 CO 0.31 0.29 0.02 0.08 -0.85 0.00 0.00 174.74 174.59 1wgd s VAL 79 N -1.38 0.74 0.39 -0.90 1.01 -1.26 -0.24 120.40 118.75 1wgd s VAL 79 Ca 0.11 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1wgd s VAL 79 Cb -0.09 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1wgd s VAL 79 CO 0.06 -0.18 0.30 -0.76 0.00 0.00 0.00 175.10 174.52 1wgd s LEU 80 N 1.76 3.38 -0.26 3.92 2.01 0.24 -4.74 118.68 125.00 1wgd s LEU 80 Ca -0.02 -0.74 -0.01 0.00 0.01 0.00 0.00 54.13 53.37 1wgd s LEU 80 Cb -0.17 -1.97 0.08 0.00 0.01 0.00 0.00 46.19 44.14 1wgd s LEU 80 CO -0.08 -0.52 0.05 -1.00 1.01 0.00 0.00 176.35 175.82 1wgd s HIS 81 N -2.44 1.60 -0.55 0.29 3.76 0.78 0.14 115.29 118.87 1wgd s HIS 81 Ca 0.44 -1.46 -0.17 0.00 -0.15 0.00 0.00 55.06 53.71 1wgd s HIS 81 Cb -0.03 -1.48 0.10 0.00 1.11 0.00 0.00 32.58 32.29 1wgd s HIS 81 CO 0.26 -0.78 0.58 -1.17 -0.85 0.00 0.00 174.74 172.79 1wgd s LEU 82 N 1.66 5.63 -0.12 0.89 2.96 -1.11 -0.40 118.68 128.18 1wgd s LEU 82 Ca 0.04 -1.46 -0.25 0.00 -0.22 0.00 0.00 54.13 52.24 1wgd s LEU 82 Cb -0.17 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1wgd s LEU 82 CO -0.17 -0.94 0.79 -0.69 -1.32 0.00 0.00 176.35 174.03 1wgd s VAL 83 N 2.18 4.95 0.22 1.68 1.01 0.35 -4.82 120.40 125.97 1wgd s VAL 83 Ca 0.08 1.58 -0.28 0.00 0.00 0.00 0.00 61.98 63.36 1wgd s VAL 83 Cb -0.25 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 1wgd s VAL 83 CO 0.06 0.12 0.88 0.00 0.00 0.00 0.00 175.10 176.17 1wgd s ASN 85 N -1.20 -0.57 0.00 0.00 2.47 -1.26 -4.99 114.94 109.39 1wgd s ASN 85 Ca 0.40 1.04 0.00 0.00 0.42 0.00 0.00 52.86 54.72 1wgd s ASN 85 Cb -0.25 1.00 0.00 0.00 -1.45 0.00 0.00 41.25 40.56 1wgd s ASN 85 CO 0.30 -0.19 0.00 0.55 -3.72 0.00 0.00 177.10 174.04 1wgd n VAL 86 N 3.38 0.00 -1.46 -5.21 3.14 -1.26 -4.66 118.33 112.26 1wgd n VAL 86 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1wgd n VAL 86 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 1wgd n VAL 86 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1wgd n LYS 87 N 0.00 -4.16 -0.01 1.45 0.00 -1.26 -4.98 118.16 109.20 1wgd n LYS 87 Ca 0.00 3.11 -0.02 0.00 0.00 0.00 0.00 58.31 61.41 1wgd n LYS 87 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 35.03 31.47 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wgd n SER 88 N -1.09 3.56 0.00 3.14 2.88 -1.26 -5.13 113.62 115.71 1wgd n SER 88 Ca 0.00 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1wgd n SER 88 Cb 0.05 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1wgd n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 89 N 3.35 -1.55 2.79 0.46 0.00 -1.26 -5.01 105.19 103.97 1wgd n GLY 89 Ca -0.04 -1.09 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 1wgd n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgd n PRO 90 N -0.15 2.33 0.21 1.61 -0.04 -1.26 -3.52 135.00 134.18 1wgd n PRO 90 Ca 0.00 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1wgd n PRO 90 Cb 0.00 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 1wgd n PRO 90 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgd n SER 91 N 5.94 -3.06 -4.72 3.54 2.88 -1.26 -5.12 113.62 111.82 1wgd n SER 91 Ca 0.53 0.79 -0.37 0.00 -1.33 0.00 0.00 58.87 58.49 1wgd n SER 91 Cb 0.33 2.91 0.06 0.00 -0.75 0.00 0.00 64.21 66.76 1wgd n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wgd n SER 92 N -3.46 2.03 0.00 -3.46 2.88 -1.23 -5.17 113.62 105.20 1wgd n SER 92 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 1wgd n SER 92 Cb 0.00 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 61.92 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42