#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 -7.55 -4.58 1.61 2.88 -1.26 -4.52 113.62 100.20 1wgd n SER 2 Ca 0.00 1.36 -0.42 0.00 -1.33 0.00 0.00 58.87 58.48 1wgd n SER 2 Cb 0.00 -4.82 -0.03 0.00 -0.75 0.00 0.00 64.21 58.61 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 -7.16 5.85 0.28 -3.46 0.01 -1.26 -4.97 113.70 102.98 1wgd s SER 3 Ca 0.00 0.86 0.08 0.00 1.31 0.00 0.00 55.95 58.20 1wgd s SER 3 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1wgd s SER 3 CO 0.00 -1.83 0.17 -0.83 0.41 0.00 0.00 173.24 171.16 1wgd s GLY 4 N 6.00 1.58 -0.46 3.44 0.00 -1.26 -5.07 107.32 111.56 1wgd s GLY 4 Ca 0.70 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 43.58 1wgd s GLY 4 CO 0.29 -1.57 1.11 -1.35 0.00 0.00 0.00 173.10 171.58 1wgd s SER 5 N -3.84 6.65 -0.04 1.64 1.04 -1.26 -4.91 113.70 112.99 1wgd s SER 5 Ca 0.34 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.26 1wgd s SER 5 Cb -0.07 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1wgd s SER 5 CO 0.24 -1.19 -0.02 -1.28 0.98 0.00 0.00 173.24 171.96 1wgd h SER 6 N 9.08 0.00 0.00 7.02 0.87 -2.02 -3.50 113.55 125.00 1wgd h SER 6 Ca -0.23 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 1wgd h SER 6 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 1wgd h SER 6 CO 1.11 0.20 0.00 0.61 -0.53 0.00 0.00 176.83 178.21 1wgd n GLY 7 N 1.83 0.77 3.66 5.77 0.00 -1.26 -4.83 105.19 111.13 1wgd n GLY 7 Ca -0.01 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.80 -0.23 1.61 -7.23 -1.26 -4.98 120.40 110.11 1wgd s VAL 8 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1wgd s VAL 8 Cb 0.00 -2.79 0.05 0.00 0.56 0.00 0.00 36.38 34.20 1wgd s VAL 8 CO 0.00 0.00 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.77 1wgd s THR 9 N -2.75 2.06 -0.12 5.32 2.01 -1.26 -1.94 115.64 118.97 1wgd s THR 9 Ca 0.28 -1.40 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 1wgd s THR 9 Cb 0.08 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1wgd s THR 9 CO 0.14 0.11 0.35 -0.76 -0.69 0.00 0.00 174.62 173.78 1wgd s LEU 10 N 1.19 4.30 -0.50 4.42 1.43 0.70 0.16 118.68 130.38 1wgd s LEU 10 Ca -0.05 0.67 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 1wgd s LEU 10 Cb -0.18 -2.48 0.12 0.00 0.03 0.00 0.00 46.19 43.68 1wgd s LEU 10 CO -0.07 0.13 0.40 -0.22 0.23 0.00 0.00 176.35 176.82 1wgd s LEU 11 N 0.15 5.87 -0.84 1.79 0.20 0.40 -1.65 118.68 124.59 1wgd s LEU 11 Ca 0.20 -1.84 -0.25 0.00 0.69 0.00 0.00 54.13 52.93 1wgd s LEU 11 Cb -0.14 -2.09 0.01 0.00 -0.43 0.00 0.00 46.19 43.54 1wgd s LEU 11 CO 0.07 -0.75 1.57 -0.69 -0.29 0.00 0.00 176.35 176.26 1wgd s VAL 12 N 1.46 3.67 0.44 1.68 1.01 0.55 0.18 120.40 129.38 1wgd s VAL 12 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1wgd s VAL 12 Cb -0.28 -4.62 -0.00 0.00 0.00 0.00 0.00 36.38 31.49 1wgd s VAL 12 CO 0.01 -1.54 0.64 -0.54 0.00 0.00 0.00 175.10 173.67 1wgd s LYS 13 N 5.96 3.05 -0.26 2.72 1.02 0.26 -2.90 119.74 129.60 1wgd s LYS 13 Ca 0.51 -0.59 -0.01 0.00 0.02 0.00 0.00 55.97 55.91 1wgd s LYS 13 Cb -0.06 -2.60 0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1wgd s LYS 13 CO 0.04 -0.24 -0.06 -1.12 -0.92 0.00 0.00 175.35 173.05 1wgd s SER 14 N -4.22 4.42 -1.19 2.83 0.01 -1.26 -2.92 113.70 111.36 1wgd s SER 14 Ca 0.48 -1.08 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 1wgd s SER 14 Cb -0.10 -1.64 -0.07 0.00 0.21 0.00 0.00 66.02 64.42 1wgd s SER 14 CO 0.37 -0.17 2.37 -0.81 0.41 0.00 0.00 173.24 175.41 1wgd n PRO 15 N 4.60 2.62 0.00 12.44 -0.04 -1.26 -2.27 135.00 151.09 1wgd n PRO 15 Ca -0.15 -1.89 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 1wgd n PRO 15 Cb 0.45 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1wgd n PRO 15 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wgd n ASN 16 N 4.70 0.00 -0.28 3.54 2.85 -1.26 -4.96 115.26 119.86 1wgd n ASN 16 Ca 0.57 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 55.03 1wgd n ASN 16 Cb 0.23 0.00 0.12 0.00 1.24 0.00 0.00 39.78 41.37 1wgd n ASN 16 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1wgd h GLN 17 N 0.00 0.85 -6.76 1.20 4.20 -2.00 -3.46 115.11 109.13 1wgd h GLN 17 Ca 0.00 -0.05 -0.50 0.00 0.06 0.00 0.00 58.65 58.16 1wgd h GLN 17 Cb 0.00 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 1wgd h GLN 17 CO 0.00 0.56 -1.02 0.54 -0.67 0.00 0.00 178.83 178.24 1wgd n ARG 18 N -4.67 -1.10 0.00 1.46 1.74 -0.96 -4.87 116.66 108.26 1wgd n ARG 18 Ca 0.10 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 1wgd n ARG 18 Cb 0.15 -2.10 0.00 0.00 -1.02 0.00 0.00 32.46 29.49 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 -3.16 0.00 -3.75 -1.55 -0.00 -1.26 -5.08 115.22 100.41 1wgd n HIS 19 Ca -0.25 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.62 1wgd n HIS 19 Cb 0.62 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 30.44 1wgd n HIS 19 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 1wgd s ARG 20 N 0.00 3.56 0.53 1.57 3.52 -1.26 -5.10 118.95 121.77 1wgd s ARG 20 Ca 0.00 -0.20 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1wgd s ARG 20 Cb 0.00 -2.91 0.01 0.00 -1.56 0.00 0.00 34.95 30.48 1wgd s ARG 20 CO 0.00 0.52 0.07 -0.40 -0.81 0.00 0.00 175.30 174.67 1wgd n ASP 21 N 0.17 3.35 -3.47 -2.12 5.68 -1.26 -4.63 116.55 114.27 1wgd n ASP 21 Ca -0.03 -3.24 -0.12 0.00 -0.50 0.00 0.00 54.79 50.89 1wgd n ASP 21 Cb 0.51 0.30 -0.10 0.00 -1.14 0.00 0.00 41.12 40.69 1wgd n ASP 21 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1wgd s LEU 22 N 0.00 -0.45 -0.38 -2.12 2.96 -1.14 -4.97 118.68 112.57 1wgd s LEU 22 Ca 0.05 0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 54.09 1wgd s LEU 22 Cb -0.00 0.89 0.02 0.00 0.50 0.00 0.00 46.19 47.60 1wgd s LEU 22 CO 0.03 -0.29 0.25 -1.61 -1.32 0.00 0.00 176.35 173.41 1wgd s GLU 23 N 2.48 3.02 0.37 1.98 2.02 -1.26 -0.33 118.70 126.97 1wgd s GLU 23 Ca 0.08 -0.97 0.04 0.00 0.02 0.00 0.00 54.97 54.13 1wgd s GLU 23 Cb -0.15 -3.84 -0.05 0.00 0.10 0.00 0.00 34.13 30.20 1wgd s GLU 23 CO -0.13 -0.67 0.08 -0.48 0.02 0.00 0.00 175.26 174.08 1wgd s LEU 24 N 1.64 2.13 0.53 1.80 2.34 -0.66 -4.93 118.68 121.53 1wgd s LEU 24 Ca 0.04 -1.51 -0.18 0.00 0.06 0.00 0.00 54.13 52.54 1wgd s LEU 24 Cb -0.19 -0.32 -0.06 0.00 -0.56 0.00 0.00 46.19 45.06 1wgd s LEU 24 CO 0.09 -0.74 1.05 -0.55 -1.06 0.00 0.00 176.35 175.13 1wgd s SER 25 N -3.56 6.11 -0.32 1.48 0.15 -1.26 -0.21 113.70 116.08 1wgd s SER 25 Ca 0.29 1.88 0.17 0.00 0.70 0.00 0.00 55.95 59.00 1wgd s SER 25 Cb 0.06 -2.55 0.46 0.00 -1.71 0.00 0.00 66.02 62.28 1wgd s SER 25 CO 0.14 -0.94 1.06 0.61 1.20 0.00 0.00 173.24 175.31 1wgd n GLY 26 N -0.59 1.55 2.51 9.45 0.00 -0.82 -4.68 105.19 112.61 1wgd n GLY 26 Ca 0.09 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.28 -0.38 0.19 1.61 2.03 -1.26 -4.44 116.55 114.02 1wgd n ASP 27 Ca 0.06 0.83 0.11 0.00 0.52 0.00 0.00 54.79 56.31 1wgd n ASP 27 Cb 0.82 -0.68 0.59 0.00 -0.72 0.00 0.00 41.12 41.14 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 1.58 0.00 0.00 -0.67 3.08 -1.96 0.38 114.38 116.79 1wgd h ARG 28 Ca -0.30 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.50 1wgd h ARG 28 Cb 1.04 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 1wgd h ARG 28 CO 0.45 0.00 -1.45 0.78 -1.07 0.00 0.00 179.97 178.67 1wgd h GLY 29 N 0.00 0.00 -1.88 0.04 0.00 -1.98 -3.12 103.07 96.13 1wgd h GLY 29 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1wgd h GLY 29 CO 0.00 0.00 -1.81 0.79 0.00 0.00 0.00 176.54 175.52 1wgd n TRP 30 N -3.12 -1.75 -4.59 5.60 7.02 0.13 -4.89 117.44 115.83 1wgd n TRP 30 Ca -0.11 0.35 -0.23 0.00 -1.02 0.00 0.00 57.50 56.49 1wgd n TRP 30 Cb 0.99 -1.49 -0.16 0.00 -2.42 0.00 0.00 31.31 28.23 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 -1.42 1.66 0.12 -0.99 0.01 -1.26 -4.16 113.70 107.65 1wgd s SER 31 Ca 0.46 -0.27 -0.24 0.00 1.31 0.00 0.00 55.95 57.21 1wgd s SER 31 Cb -0.04 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 1wgd s SER 31 CO 0.68 0.10 1.37 0.52 0.41 0.00 0.00 173.24 176.32 1wgd n VAL 32 N 3.26 -0.53 -0.27 3.43 0.31 -1.26 0.21 118.33 123.47 1wgd n VAL 32 Ca -0.18 2.13 0.06 0.00 -0.01 0.00 0.00 64.34 66.34 1wgd n VAL 32 Cb 0.53 -2.66 0.20 0.00 -0.91 0.00 0.00 33.84 31.01 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 1.25 0.81 2.92 0.00 -1.79 -1.31 103.07 104.96 1wgd h GLY 33 Ca 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1wgd h GLY 33 CO -0.73 -0.06 -0.30 0.84 0.00 0.00 0.00 176.54 176.29 1wgd h HIS 34 N 0.53 -0.78 -0.98 5.60 6.17 0.40 -2.99 115.15 123.11 1wgd h HIS 34 Ca 0.43 -0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.59 1wgd h HIS 34 Cb 0.62 0.26 -0.12 0.00 2.52 0.00 0.00 27.41 30.69 1wgd h HIS 34 CO -0.13 -0.44 -0.55 -0.11 0.71 0.00 0.00 177.93 177.42 1wgd n LEU 35 N -5.38 -0.97 -0.37 0.26 7.94 0.55 -0.12 117.00 118.91 1wgd n LEU 35 Ca -0.12 1.73 -0.10 0.00 -1.11 0.00 0.00 56.01 56.42 1wgd n LEU 35 Cb 0.36 -0.25 -0.09 0.00 0.53 0.00 0.00 43.42 43.97 1wgd n LEU 35 CO 0.33 -1.43 0.48 0.29 -1.11 0.00 0.00 177.39 175.94 1wgd n LYS 36 N -5.26 -0.38 -0.28 1.96 5.02 -0.55 0.16 118.16 118.83 1wgd n LYS 36 Ca 0.03 1.43 0.10 0.00 -2.02 0.00 0.00 58.31 57.86 1wgd n LYS 36 Cb 0.28 -2.11 0.25 0.00 -0.02 0.00 0.00 35.03 33.42 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 0.32 1.16 -0.18 7.82 0.00 -0.37 0.38 119.26 128.38 1wgd h ALA 37 Ca 0.14 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1wgd h ALA 37 Cb 0.36 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1wgd h ALA 37 CO -0.82 -0.41 0.05 1.25 0.00 0.00 0.00 179.25 179.32 1wgd h HIS 38 N 0.24 0.29 0.08 0.00 -0.00 0.31 -2.88 115.15 113.18 1wgd h HIS 38 Ca 0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 1wgd h HIS 38 Cb 0.96 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.26 1wgd h HIS 38 CO -0.27 0.39 -0.22 -0.07 -0.00 0.00 0.00 177.93 177.76 1wgd h LEU 39 N 0.10 -0.66 -1.32 0.26 3.38 0.54 0.32 115.31 117.94 1wgd h LEU 39 Ca 0.06 0.07 0.44 0.00 0.09 0.00 0.00 57.88 58.54 1wgd h LEU 39 Cb 0.24 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 1wgd h LEU 39 CO -0.00 -0.24 0.86 -0.24 0.09 0.00 0.00 178.44 178.91 1wgd n SER 40 N -3.71 0.17 0.08 -0.43 2.88 0.55 0.50 113.62 113.65 1wgd n SER 40 Ca -0.04 1.21 -0.03 0.00 -1.33 0.00 0.00 58.87 58.68 1wgd n SER 40 Cb 0.18 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 63.03 1wgd n SER 40 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1wgd h ARG 41 N 0.00 -0.19 -0.11 -1.46 1.12 -0.73 -2.78 114.38 110.23 1wgd h ARG 41 Ca 0.81 0.01 0.03 0.00 -1.11 0.00 0.00 59.98 59.72 1wgd h ARG 41 Cb 2.68 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 32.68 1wgd h ARG 41 CO -0.37 -0.13 0.24 -0.39 -3.11 0.00 0.00 179.97 176.21 1wgd h VAL 42 N -0.22 0.21 -3.23 0.20 -1.51 0.07 -3.40 116.25 108.36 1wgd h VAL 42 Ca -0.02 0.00 -0.56 0.00 -1.23 0.00 0.00 66.70 64.89 1wgd h VAL 42 Cb 0.15 0.79 -0.04 0.00 -2.13 0.00 0.00 31.29 30.07 1wgd h VAL 42 CO 0.03 0.00 0.58 -0.31 -1.23 0.00 0.00 177.57 176.65 1wgd s TYR 43 N -4.36 3.47 -0.78 5.19 1.51 0.18 -4.96 117.35 117.59 1wgd s TYR 43 Ca -0.04 1.54 -0.26 0.00 -1.01 0.00 0.00 57.07 57.30 1wgd s TYR 43 Cb 0.13 -3.22 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 1wgd s TYR 43 CO 0.43 -0.39 1.61 -1.25 -1.11 0.00 0.00 175.55 174.84 1wgd s PRO 44 N 2.02 2.98 0.00 -1.71 0.04 -1.26 -3.02 135.00 134.04 1wgd s PRO 44 Ca 0.50 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1wgd s PRO 44 Cb -0.19 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1wgd s PRO 44 CO 0.19 -2.57 0.00 -0.85 0.04 0.00 0.00 177.00 173.81 1wgd n GLU 45 N 9.13 0.00 -2.47 4.56 0.28 -1.26 -5.00 120.64 125.87 1wgd n GLU 45 Ca 0.21 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.15 1wgd n GLU 45 Cb 0.50 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.39 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 -1.10 0.00 3.44 5.12 -1.17 -5.05 116.66 117.90 1wgd n ARG 46 Ca 0.00 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1wgd n ARG 46 Cb 0.00 -4.00 0.00 0.00 -1.16 0.00 0.00 32.46 27.30 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 -2.11 0.73 -4.23 5.56 -0.04 -1.26 -5.07 135.00 128.59 1wgd n PRO 47 Ca -0.03 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1wgd n PRO 47 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.54 2.19 0.22 0.54 0.52 -1.26 -4.91 118.95 115.71 1wgd s ARG 48 Ca 0.00 -1.08 0.10 0.00 -0.52 0.00 0.00 55.73 54.23 1wgd s ARG 48 Cb 0.00 -2.30 0.17 0.00 0.52 0.00 0.00 34.95 33.34 1wgd s ARG 48 CO 0.00 0.48 1.50 -1.00 0.02 0.00 0.00 175.30 176.31 1wgd h PRO 49 N 3.28 0.00 0.01 3.54 0.13 -1.92 -1.62 132.00 135.43 1wgd h PRO 49 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wgd h PRO 49 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wgd h PRO 49 CO 0.54 0.74 -0.01 0.93 -0.23 0.00 0.00 178.00 179.97 1wgd h GLU 50 N 0.00 -0.02 -0.12 0.86 3.07 -1.95 -3.30 114.58 113.12 1wgd h GLU 50 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1wgd h GLU 50 Cb 1.32 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.23 1wgd h GLU 50 CO 0.10 0.64 0.08 0.38 -1.40 0.00 0.00 179.01 178.80 1wgd h ASP 51 N -0.69 0.14 -1.24 1.42 3.04 -1.95 -3.42 116.42 113.71 1wgd h ASP 51 Ca -0.00 -0.02 -0.79 0.00 -3.24 0.00 0.00 57.03 52.97 1wgd h ASP 51 Cb 0.66 -0.04 0.01 0.00 -1.04 0.00 0.00 39.33 38.93 1wgd h ASP 51 CO 0.00 0.12 0.87 0.00 -2.04 0.00 0.00 179.24 178.20 1wgd n GLN 52 N -4.99 0.66 -3.70 4.15 6.02 -0.61 -3.95 117.38 114.96 1wgd n GLN 52 Ca -0.05 0.24 -0.38 0.00 -0.01 0.00 0.00 57.00 56.80 1wgd n GLN 52 Cb 0.04 -1.86 -0.12 0.00 1.02 0.00 0.00 30.24 29.31 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 3.62 2.97 -0.36 -1.09 0.52 0.45 -4.91 118.95 120.15 1wgd s ARG 53 Ca 1.03 -0.95 -0.19 0.00 -0.52 0.00 0.00 55.73 55.09 1wgd s ARG 53 Cb -1.24 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 30.71 1wgd s ARG 53 CO 0.71 -0.55 0.56 -0.51 0.02 0.00 0.00 175.30 175.53 1wgd s LEU 54 N 1.51 4.35 0.07 2.53 1.02 -1.26 0.19 118.68 127.09 1wgd s LEU 54 Ca 0.02 -0.02 0.08 0.00 0.02 0.00 0.00 54.13 54.23 1wgd s LEU 54 Cb -0.18 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.34 1wgd s LEU 54 CO 0.04 -0.54 -0.17 -0.63 0.02 0.00 0.00 176.35 175.07 1wgd s ILE 55 N 2.52 2.88 -0.24 -0.59 1.09 0.13 0.65 121.20 127.65 1wgd s ILE 55 Ca 0.21 -1.28 -0.03 0.00 -1.10 0.00 0.00 60.65 58.44 1wgd s ILE 55 Cb -0.15 -2.26 0.11 0.00 -1.06 0.00 0.00 42.46 39.10 1wgd s ILE 55 CO 0.14 0.24 0.25 -0.47 -0.10 0.00 0.00 174.94 175.00 1wgd s TYR 56 N -1.02 -0.32 0.00 3.97 5.04 -0.94 0.03 117.35 124.11 1wgd s TYR 56 Ca 0.16 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 1wgd s TYR 56 Cb -0.11 -0.41 0.00 0.00 0.35 0.00 0.00 41.96 41.80 1wgd s TYR 56 CO 0.08 -0.72 0.00 0.45 -1.34 0.00 0.00 175.55 174.02 1wgd n SER 57 N 5.31 -0.09 0.00 4.32 2.88 -1.26 -2.44 113.62 122.34 1wgd n SER 57 Ca -0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1wgd n SER 57 Cb 0.48 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1wgd n SER 57 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 58 N -2.01 2.27 3.57 0.46 0.00 -1.26 -5.06 105.19 103.15 1wgd n GLY 58 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1wgd n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgd s LYS 59 N -0.30 3.61 0.33 1.61 -2.85 -1.02 -5.01 119.74 116.10 1wgd s LYS 59 Ca 0.00 0.08 -0.29 0.00 -1.00 0.00 0.00 55.97 54.76 1wgd s LYS 59 Cb 0.00 -3.85 -0.11 0.00 -2.06 0.00 0.00 37.83 31.81 1wgd s LYS 59 CO 0.00 -0.89 1.54 -0.11 0.10 0.00 0.00 175.35 175.99 1wgd n LEU 60 N 6.35 4.51 -4.91 2.77 -0.00 -1.26 -2.22 117.00 122.24 1wgd n LEU 60 Ca 0.01 1.18 -0.27 0.00 -0.00 0.00 0.00 56.01 56.93 1wgd n LEU 60 Cb 0.48 -1.60 0.01 0.00 -0.00 0.00 0.00 43.42 42.31 1wgd n LEU 60 CO 0.53 0.13 0.51 -0.76 -0.00 0.00 0.00 177.39 177.80 1wgd s LEU 61 N -1.16 3.43 0.39 -1.96 1.43 0.21 -4.92 118.68 116.10 1wgd s LEU 61 Ca 0.59 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.66 1wgd s LEU 61 Cb -0.49 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 41.83 1wgd s LEU 61 CO 0.56 -0.80 0.02 -0.76 0.23 0.00 0.00 176.35 175.60 1wgd s LEU 62 N -4.89 2.73 0.06 1.79 1.43 -1.26 -4.75 118.68 113.79 1wgd s LEU 62 Ca 0.51 -1.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.09 1wgd s LEU 62 Cb -0.10 -0.79 -0.27 0.00 0.03 0.00 0.00 46.19 45.05 1wgd s LEU 62 CO 0.46 -0.48 1.13 -2.24 0.23 0.00 0.00 176.35 175.45 1wgd h ASP 63 N 1.85 0.90 0.00 2.29 2.03 -1.99 -3.31 116.42 118.19 1wgd h ASP 63 Ca -0.43 -0.80 -0.37 0.00 -0.73 0.00 0.00 57.03 54.70 1wgd h ASP 63 Cb 1.24 -0.28 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 1wgd h ASP 63 CO 0.78 1.60 1.19 0.00 -1.03 0.00 0.00 179.24 181.78 1wgd n HIS 64 N -3.81 0.89 -4.31 4.15 1.44 -1.26 -4.33 115.22 107.99 1wgd n HIS 64 Ca -0.13 -2.09 -0.20 0.00 -2.01 0.00 0.00 57.72 53.29 1wgd n HIS 64 Cb 0.96 -1.93 -0.07 0.00 0.12 0.00 0.00 29.99 29.06 1wgd n HIS 64 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1wgd n GLN 65 N 2.90 0.43 -3.95 -1.40 6.02 -1.25 -5.13 117.38 115.01 1wgd n GLN 65 Ca 0.56 -3.24 -0.10 0.00 -0.01 0.00 0.00 57.00 54.21 1wgd n GLN 65 Cb 0.66 2.48 -0.12 0.00 1.02 0.00 0.00 30.24 34.28 1wgd n GLN 65 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wgd h LEU 67 N 5.12 0.90 -0.88 0.00 3.38 -1.72 0.08 115.31 122.19 1wgd h LEU 67 Ca -0.30 -0.37 0.23 0.00 0.09 0.00 0.00 57.88 57.54 1wgd h LEU 67 Cb 1.21 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1wgd h LEU 67 CO 0.44 1.06 0.09 -0.09 0.09 0.00 0.00 178.44 180.04 1wgd h ARG 68 N 0.73 0.10 0.00 1.13 2.43 -1.81 1.12 114.38 118.08 1wgd h ARG 68 Ca 0.11 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1wgd h ARG 68 Cb 0.67 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1wgd h ARG 68 CO 0.05 0.07 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.10 1wgd h ASP 69 N 0.10 0.00 -0.96 -3.80 5.19 -1.86 -3.37 116.42 111.73 1wgd h ASP 69 Ca 0.53 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 57.04 1wgd h ASP 69 Cb 1.04 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.43 1wgd h ASP 69 CO -0.75 0.51 -0.53 0.18 -3.12 0.00 0.00 179.24 175.53 1wgd n LEU 70 N -4.76 -0.93 -4.77 1.55 4.77 0.00 -4.25 117.00 108.61 1wgd n LEU 70 Ca -0.00 1.70 -0.38 0.00 -0.03 0.00 0.00 56.01 57.30 1wgd n LEU 70 Cb 0.02 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1wgd n LEU 70 CO 0.01 -1.42 0.66 -0.76 -1.33 0.00 0.00 177.39 174.55 1wgd s LEU 71 N -10.49 4.44 0.00 2.23 1.43 0.38 -5.06 118.68 111.61 1wgd s LEU 71 Ca -0.12 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1wgd s LEU 71 Cb 0.12 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.46 1wgd s LEU 71 CO 0.61 -0.02 0.00 -0.81 0.23 0.00 0.00 176.35 176.37 1wgd n PRO 72 N 0.85 -0.20 -3.31 1.29 -0.04 -1.26 -4.66 135.00 127.67 1wgd n PRO 72 Ca 0.01 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 1wgd n PRO 72 Cb 0.49 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.86 1wgd n PRO 72 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1wgd n LYS 73 N -1.00 0.27 -2.73 0.54 2.85 -1.26 -4.97 118.16 111.86 1wgd n LYS 73 Ca 0.00 -3.06 -0.08 0.00 -1.05 0.00 0.00 58.31 54.11 1wgd n LYS 73 Cb 0.00 -1.60 0.08 0.00 -0.65 0.00 0.00 35.03 32.86 1wgd n LYS 73 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1wgd n GLN 74 N 2.68 0.92 -0.15 -1.58 7.27 -1.26 -5.14 117.38 120.11 1wgd n GLN 74 Ca 0.28 -1.82 0.02 0.00 0.07 0.00 0.00 57.00 55.55 1wgd n GLN 74 Cb 0.49 -1.12 -0.01 0.00 2.41 0.00 0.00 30.24 32.02 1wgd n GLN 74 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1wgd n GLU 75 N 0.74 -0.31 -1.39 3.69 2.13 -1.26 -4.98 120.64 119.26 1wgd n GLU 75 Ca 0.06 0.20 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1wgd n GLU 75 Cb 0.68 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 32.01 1wgd n GLU 75 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1wgd n LYS 76 N -1.08 -3.98 0.00 5.31 5.02 -1.26 -4.96 118.16 117.21 1wgd n LYS 76 Ca 0.00 2.95 0.00 0.00 -2.02 0.00 0.00 58.31 59.24 1wgd n LYS 76 Cb 0.07 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.78 1wgd n LYS 76 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1wgd n ARG 77 N -0.68 -1.45 -4.38 1.97 0.00 -1.26 -4.97 116.66 105.89 1wgd n ARG 77 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1wgd n ARG 77 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 32.46 32.33 1wgd n ARG 77 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1wgd s HIS 78 N -0.89 2.23 -0.23 2.89 3.76 0.42 -4.95 115.29 118.51 1wgd s HIS 78 Ca 0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1wgd s HIS 78 Cb 0.00 -1.20 0.05 0.00 1.11 0.00 0.00 32.58 32.54 1wgd s HIS 78 CO 0.00 0.33 -0.07 0.08 -0.85 0.00 0.00 174.74 174.23 1wgd s VAL 79 N -1.13 1.61 0.42 -0.90 1.01 -1.26 0.15 120.40 120.29 1wgd s VAL 79 Ca 0.14 -1.19 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1wgd s VAL 79 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1wgd s VAL 79 CO 0.06 -0.02 0.34 -0.76 0.00 0.00 0.00 175.10 174.73 1wgd s LEU 80 N 1.37 3.32 -0.32 3.92 2.01 0.48 -4.71 118.68 124.75 1wgd s LEU 80 Ca -0.05 -0.82 -0.01 0.00 0.01 0.00 0.00 54.13 53.26 1wgd s LEU 80 Cb -0.18 -1.91 0.10 0.00 0.01 0.00 0.00 46.19 44.21 1wgd s LEU 80 CO -0.07 -0.64 0.12 -1.00 1.01 0.00 0.00 176.35 175.77 1wgd s HIS 81 N -2.51 1.48 -0.53 0.29 3.76 0.11 0.93 115.29 118.82 1wgd s HIS 81 Ca 0.47 -1.66 -0.23 0.00 -0.15 0.00 0.00 55.06 53.49 1wgd s HIS 81 Cb -0.02 -1.58 0.04 0.00 1.11 0.00 0.00 32.58 32.14 1wgd s HIS 81 CO 0.27 -0.86 0.84 -1.17 -0.85 0.00 0.00 174.74 172.96 1wgd s LEU 82 N 1.57 4.36 -0.11 0.89 2.96 -1.15 0.20 118.68 127.41 1wgd s LEU 82 Ca 0.11 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 1wgd s LEU 82 Cb -0.18 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 1wgd s LEU 82 CO -0.24 -1.11 0.29 -0.69 -1.32 0.00 0.00 176.35 173.29 1wgd s VAL 83 N 3.52 5.27 0.31 1.68 1.01 0.50 -4.83 120.40 127.86 1wgd s VAL 83 Ca 0.26 0.56 -0.12 0.00 0.00 0.00 0.00 61.98 62.68 1wgd s VAL 83 Cb -0.14 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 1wgd s VAL 83 CO 0.17 0.49 0.68 0.00 0.00 0.00 0.00 175.10 176.44 1wgd n ASN 85 N -0.53 1.64 -3.48 0.00 5.15 -1.25 -4.89 115.26 111.89 1wgd n ASN 85 Ca 0.02 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.64 1wgd n ASN 85 Cb 0.53 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.74 1wgd n ASN 85 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1wgd n VAL 86 N 0.00 2.07 -1.89 3.44 0.24 -1.26 -4.90 118.33 116.03 1wgd n VAL 86 Ca 0.00 -1.59 -0.42 0.00 -2.04 0.00 0.00 64.34 60.29 1wgd n VAL 86 Cb 0.00 -2.27 -0.02 0.00 -1.47 0.00 0.00 33.84 30.08 1wgd n VAL 86 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1wgd s LYS 87 N 4.43 4.19 -0.19 7.34 2.20 -1.26 -4.96 119.74 131.50 1wgd s LYS 87 Ca 0.51 2.43 -0.21 0.00 -0.36 0.00 0.00 55.97 58.35 1wgd s LYS 87 Cb 0.13 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 1wgd s LYS 87 CO 0.06 -0.58 0.63 0.45 -0.36 0.00 0.00 175.35 175.55 1wgd s SER 88 N 0.76 6.70 0.00 1.43 0.15 -1.26 -5.04 113.70 116.44 1wgd s SER 88 Ca 0.66 0.85 0.00 0.00 0.70 0.00 0.00 55.95 58.16 1wgd s SER 88 Cb -0.45 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1wgd s SER 88 CO 0.39 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1wgd n GLY 89 N 3.73 5.01 0.09 9.45 0.00 -1.26 -5.00 105.19 117.21 1wgd n GLY 89 Ca -0.02 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1wgd n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgd h PRO 90 N 0.00 -0.08 -6.19 1.61 0.13 -2.03 -3.46 132.00 121.98 1wgd h PRO 90 Ca 0.00 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.64 1wgd h PRO 90 Cb 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.11 1wgd h PRO 90 CO 0.00 0.52 -0.45 -1.12 -0.23 0.00 0.00 178.00 176.71 1wgd s SER 91 N -5.77 5.28 -0.27 1.44 0.01 -1.26 -5.13 113.70 108.00 1wgd s SER 91 Ca -0.14 -0.49 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 1wgd s SER 91 Cb -0.00 -0.99 0.12 0.00 0.21 0.00 0.00 66.02 65.36 1wgd s SER 91 CO 0.55 -0.34 0.59 -0.55 0.41 0.00 0.00 173.24 173.91 1wgd s SER 92 N -3.98 -0.91 0.00 2.44 0.15 -1.26 -5.07 113.70 105.07 1wgd s SER 92 Ca 0.40 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.47 1wgd s SER 92 Cb -0.06 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.25 1wgd s SER 92 CO 0.26 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.09