#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 -6.76 -2.62 1.61 2.88 -1.26 -4.67 113.62 102.80 1wgd n SER 2 Ca 0.00 0.60 -0.01 0.00 -1.33 0.00 0.00 58.87 58.13 1wgd n SER 2 Cb 0.00 -4.50 -0.01 0.00 -0.75 0.00 0.00 64.21 58.96 1wgd n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 3 N -0.13 -6.77 0.00 -3.46 7.64 -1.26 -4.98 113.62 104.67 1wgd n SER 3 Ca 0.07 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.29 1wgd n SER 3 Cb 0.28 -5.05 0.00 0.00 -1.01 0.00 0.00 64.21 58.43 1wgd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 4 N 0.77 -0.64 2.79 0.23 0.00 -1.26 -5.09 105.19 101.99 1wgd n GLY 4 Ca -0.05 0.45 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 1wgd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wgd n SER 5 N 0.00 -7.62 -3.24 1.61 7.64 -1.26 -5.02 113.62 105.72 1wgd n SER 5 Ca 0.00 0.47 -0.22 0.00 1.01 0.00 0.00 58.87 60.13 1wgd n SER 5 Cb 0.00 -5.16 -0.07 0.00 -1.01 0.00 0.00 64.21 57.97 1wgd n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgd s SER 6 N -2.55 0.74 0.00 6.43 1.04 -1.26 -5.10 113.70 113.00 1wgd s SER 6 Ca 0.22 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 53.91 1wgd s SER 6 Cb -0.06 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wgd s SER 6 CO 0.73 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.41 1wgd n GLY 7 N 2.89 5.51 3.44 7.32 0.00 -1.26 -4.85 105.19 118.24 1wgd n GLY 7 Ca 0.27 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 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 1.29 1.48 -0.25 1.61 -7.23 -1.26 -4.88 120.40 111.17 1wgd s VAL 8 Ca 0.00 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1wgd s VAL 8 Cb 0.00 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.37 1wgd s VAL 8 CO 0.00 -0.19 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.69 1wgd s THR 9 N -3.11 3.26 -0.11 5.32 2.01 -1.26 0.19 115.64 121.94 1wgd s THR 9 Ca 0.32 -0.83 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 1wgd s THR 9 Cb 0.06 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1wgd s THR 9 CO 0.13 0.22 0.29 -0.76 -0.69 0.00 0.00 174.62 173.81 1wgd s LEU 10 N 1.40 4.34 -0.50 4.42 1.43 0.20 -2.03 118.68 127.94 1wgd s LEU 10 Ca 0.02 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1wgd s LEU 10 Cb -0.16 -2.37 0.11 0.00 0.03 0.00 0.00 46.19 43.80 1wgd s LEU 10 CO -0.03 0.23 0.43 -0.22 0.23 0.00 0.00 176.35 176.99 1wgd s LEU 11 N -0.29 5.89 -0.83 1.79 0.20 0.16 -1.53 118.68 124.07 1wgd s LEU 11 Ca 0.18 -1.72 -0.25 0.00 0.69 0.00 0.00 54.13 53.03 1wgd s LEU 11 Cb -0.14 -2.14 0.02 0.00 -0.43 0.00 0.00 46.19 43.51 1wgd s LEU 11 CO 0.07 -0.76 1.47 -0.69 -0.29 0.00 0.00 176.35 176.15 1wgd s VAL 12 N 1.53 3.72 0.44 1.68 1.01 0.90 0.18 120.40 129.86 1wgd s VAL 12 Ca 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1wgd s VAL 12 Cb -0.28 -4.76 -0.02 0.00 0.00 0.00 0.00 36.38 31.32 1wgd s VAL 12 CO 0.03 -1.68 0.69 -0.54 0.00 0.00 0.00 175.10 173.59 1wgd s LYS 13 N 5.77 3.37 -0.40 2.72 1.02 0.18 -2.53 119.74 129.86 1wgd s LYS 13 Ca 0.46 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 56.17 1wgd s LYS 13 Cb -0.06 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1wgd s LYS 13 CO 0.06 -0.14 0.26 0.45 -0.92 0.00 0.00 175.35 175.06 1wgd s SER 14 N -4.12 5.86 -1.19 2.83 0.15 -1.26 -3.64 113.70 112.33 1wgd s SER 14 Ca 0.46 -1.10 -0.19 0.00 0.70 0.00 0.00 55.95 55.81 1wgd s SER 14 Cb -0.10 -2.07 -0.03 0.00 -1.71 0.00 0.00 66.02 62.11 1wgd s SER 14 CO 0.40 -0.46 1.93 -0.81 1.20 0.00 0.00 173.24 175.51 1wgd n PRO 15 N 5.05 2.31 0.00 5.44 -0.04 -1.26 -3.26 135.00 143.24 1wgd n PRO 15 Ca -0.11 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1wgd n PRO 15 Cb 0.45 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.52 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 9.42 0.00 -2.44 3.54 5.15 -1.26 -5.02 115.26 124.65 1wgd n ASN 16 Ca 0.49 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.44 1wgd n ASN 16 Cb 0.44 0.22 -0.03 0.00 -0.53 0.00 0.00 39.78 39.88 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wgd n GLN 17 N -2.13 0.04 -3.09 1.20 1.13 -1.23 -5.06 117.38 108.25 1wgd n GLN 17 Ca 0.00 -0.45 -0.10 0.00 -1.94 0.00 0.00 57.00 54.51 1wgd n GLN 17 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1wgd n ARG 18 N -0.42 -0.65 -3.79 -1.09 1.74 -1.20 -4.97 116.66 106.28 1wgd n ARG 18 Ca -0.25 0.87 -0.23 0.00 -0.77 0.00 0.00 57.85 57.47 1wgd n ARG 18 Cb 0.60 -1.16 -0.17 0.00 -1.02 0.00 0.00 32.46 30.71 1wgd n ARG 18 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wgd s HIS 19 N -1.04 0.65 0.38 -1.55 3.76 -1.26 -5.04 115.29 111.19 1wgd s HIS 19 Ca 0.10 -0.16 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1wgd s HIS 19 Cb -0.01 -0.78 0.00 0.00 1.11 0.00 0.00 32.58 32.90 1wgd s HIS 19 CO 0.22 -0.32 0.00 0.54 -0.85 0.00 0.00 174.74 174.33 1wgd n ARG 20 N 5.09 -2.35 -3.62 1.40 5.12 -1.26 -4.30 116.66 116.74 1wgd n ARG 20 Ca -0.08 1.78 -0.13 0.00 -1.93 0.00 0.00 57.85 57.49 1wgd n ARG 20 Cb 0.50 -2.93 -0.06 0.00 -1.16 0.00 0.00 32.46 28.82 1wgd n ARG 20 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1wgd s ASP 21 N -6.19 -0.34 -0.14 0.55 -4.77 -1.26 -4.37 116.67 100.16 1wgd s ASP 21 Ca 0.00 0.01 -0.03 0.00 -3.30 0.00 0.00 52.55 49.23 1wgd s ASP 21 Cb 0.00 0.46 0.05 0.00 -1.09 0.00 0.00 42.92 42.34 1wgd s ASP 21 CO 0.00 -0.72 0.05 -0.22 0.70 0.00 0.00 175.17 174.98 1wgd s LEU 22 N -2.15 0.60 -0.41 2.11 2.96 -1.05 -4.98 118.68 115.76 1wgd s LEU 22 Ca -0.04 -0.45 -0.14 0.00 -0.22 0.00 0.00 54.13 53.29 1wgd s LEU 22 Cb -0.00 -0.37 0.04 0.00 0.50 0.00 0.00 46.19 46.36 1wgd s LEU 22 CO -0.04 -0.29 0.29 -1.61 -1.32 0.00 0.00 176.35 173.38 1wgd s GLU 23 N 2.03 2.91 0.32 1.98 2.02 -1.26 -0.07 118.70 126.63 1wgd s GLU 23 Ca 0.02 -1.12 0.07 0.00 0.02 0.00 0.00 54.97 53.96 1wgd s GLU 23 Cb -0.15 -3.93 -0.06 0.00 0.10 0.00 0.00 34.13 30.08 1wgd s GLU 23 CO -0.07 -0.80 -0.04 -0.48 0.02 0.00 0.00 175.26 173.88 1wgd s LEU 24 N 1.63 2.55 0.73 1.80 2.34 -0.58 -4.92 118.68 122.23 1wgd s LEU 24 Ca 0.04 -1.24 -0.13 0.00 0.06 0.00 0.00 54.13 52.86 1wgd s LEU 24 Cb -0.20 -0.72 0.04 0.00 -0.56 0.00 0.00 46.19 44.74 1wgd s LEU 24 CO 0.08 -0.35 1.13 -0.94 -1.06 0.00 0.00 176.35 175.21 1wgd s SER 25 N -3.52 4.50 -0.34 1.48 1.04 -1.26 0.60 113.70 116.19 1wgd s SER 25 Ca 0.32 2.07 0.15 0.00 0.48 0.00 0.00 55.95 58.97 1wgd s SER 25 Cb 0.05 -2.56 0.44 0.00 0.10 0.00 0.00 66.02 64.05 1wgd s SER 25 CO 0.14 -2.05 1.14 0.61 0.98 0.00 0.00 173.24 174.06 1wgd n GLY 26 N -0.36 1.51 3.44 7.32 0.00 0.51 -4.57 105.19 113.04 1wgd n GLY 26 Ca 0.11 -0.81 -0.55 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.38 -0.46 0.22 1.61 2.03 -1.26 -3.98 116.55 114.32 1wgd n ASP 27 Ca 0.03 1.14 0.12 0.00 0.52 0.00 0.00 54.79 56.61 1wgd n ASP 27 Cb 0.83 -0.93 0.65 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 2.25 0.00 0.00 -0.67 3.08 -1.91 0.41 114.38 117.54 1wgd h ARG 28 Ca -0.42 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.37 1wgd h ARG 28 Cb 1.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.43 1wgd h ARG 28 CO 0.62 0.00 -1.38 0.78 -1.07 0.00 0.00 179.97 178.91 1wgd h GLY 29 N 0.00 0.00 -2.14 0.04 0.00 -1.96 -2.89 103.07 96.12 1wgd h GLY 29 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1wgd h GLY 29 CO 0.00 0.00 -1.78 0.79 0.00 0.00 0.00 176.54 175.55 1wgd n TRP 30 N -3.18 -2.40 -4.88 5.60 7.02 0.14 -4.85 117.44 114.89 1wgd n TRP 30 Ca -0.09 0.29 -0.27 0.00 -1.02 0.00 0.00 57.50 56.41 1wgd n TRP 30 Cb 1.00 -1.50 -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 -1.36 2.28 0.21 -0.99 0.01 -1.26 -4.01 113.70 108.58 1wgd s SER 31 Ca 0.45 -0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.13 1wgd s SER 31 Cb -0.07 -0.73 0.16 0.00 0.21 0.00 0.00 66.02 65.59 1wgd s SER 31 CO 0.71 0.15 1.49 0.52 0.41 0.00 0.00 173.24 176.52 1wgd n VAL 32 N 3.25 -0.55 -0.33 3.43 0.31 -1.26 0.21 118.33 123.40 1wgd n VAL 32 Ca -0.19 2.28 0.01 0.00 -0.01 0.00 0.00 64.34 66.44 1wgd n VAL 32 Cb 0.53 -2.96 0.19 0.00 -0.91 0.00 0.00 33.84 30.68 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 1.35 0.60 2.92 0.00 -1.80 -2.10 103.07 104.04 1wgd h GLY 33 Ca 0.29 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 1wgd h GLY 33 CO -0.95 0.39 -0.19 0.84 0.00 0.00 0.00 176.54 176.63 1wgd h HIS 34 N 1.16 -0.50 -0.97 5.60 6.17 0.16 -3.19 115.15 123.59 1wgd h HIS 34 Ca 0.37 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.54 1wgd h HIS 34 Cb 0.03 0.16 -0.13 0.00 2.52 0.00 0.00 27.41 30.00 1wgd h HIS 34 CO -0.00 -0.17 -0.52 -0.11 0.71 0.00 0.00 177.93 177.83 1wgd n LEU 35 N -5.17 -0.93 -0.26 0.26 7.94 0.56 -0.28 117.00 119.12 1wgd n LEU 35 Ca -0.09 1.71 -0.07 0.00 -1.11 0.00 0.00 56.01 56.45 1wgd n LEU 35 Cb 0.28 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.91 1wgd n LEU 35 CO 0.27 -1.43 0.43 0.29 -1.11 0.00 0.00 177.39 175.84 1wgd n LYS 36 N -5.26 -0.27 -0.08 1.96 5.02 -0.81 0.11 118.16 118.83 1wgd n LYS 36 Ca 0.04 1.21 -0.14 0.00 -2.02 0.00 0.00 58.31 57.40 1wgd n LYS 36 Cb 0.29 -1.78 -0.09 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 0.04 -0.77 -0.81 7.82 0.00 -0.63 0.60 119.26 125.52 1wgd h ALA 37 Ca 0.10 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.19 1wgd h ALA 37 Cb 0.25 1.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1wgd h ALA 37 CO -0.58 -1.04 0.16 1.25 0.00 0.00 0.00 179.25 179.03 1wgd h HIS 38 N -0.47 0.22 1.01 0.00 -0.00 0.99 -0.56 115.15 116.34 1wgd h HIS 38 Ca 0.07 0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.44 1wgd h HIS 38 Cb 0.63 0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.08 1wgd h HIS 38 CO -0.64 -0.18 -0.49 -0.07 -0.00 0.00 0.00 177.93 176.55 1wgd h LEU 39 N 0.20 -1.15 -1.74 0.26 3.38 0.38 -1.85 115.31 114.78 1wgd h LEU 39 Ca 0.47 0.04 0.51 0.00 0.09 0.00 0.00 57.88 59.00 1wgd h LEU 39 Cb 0.89 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 1wgd h LEU 39 CO -0.62 -0.82 1.24 -0.24 0.09 0.00 0.00 178.44 178.10 1wgd n SER 40 N -5.67 0.02 0.03 -0.43 2.88 0.18 0.35 113.62 110.99 1wgd n SER 40 Ca -0.17 0.94 -0.01 0.00 -1.33 0.00 0.00 58.87 58.30 1wgd n SER 40 Cb 0.54 -0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.09 -0.04 -1.46 1.12 -0.53 -3.09 114.38 110.29 1wgd h ARG 41 Ca 0.85 0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.74 1wgd h ARG 41 Cb 3.34 0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 33.32 1wgd h ARG 41 CO -0.05 -0.06 0.27 -0.39 -3.11 0.00 0.00 179.97 176.63 1wgd h VAL 42 N -0.14 0.05 -3.31 0.20 -1.51 -0.37 -3.39 116.25 107.78 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 0.07 0.74 -0.06 0.00 -2.13 0.00 0.00 31.29 29.91 1wgd h VAL 42 CO 0.02 0.00 0.39 -0.31 -1.23 0.00 0.00 177.57 176.44 1wgd s TYR 43 N -4.17 3.48 -0.76 5.19 1.51 0.16 -4.98 117.35 117.77 1wgd s TYR 43 Ca -0.04 1.37 -0.26 0.00 -1.01 0.00 0.00 57.07 57.13 1wgd s TYR 43 Cb 0.10 -3.04 0.00 0.00 -0.11 0.00 0.00 41.96 38.92 1wgd s TYR 43 CO 0.33 -0.18 1.60 -1.25 -1.11 0.00 0.00 175.55 174.95 1wgd s PRO 44 N 1.85 2.96 0.00 -1.71 0.04 -1.26 -3.04 135.00 133.85 1wgd s PRO 44 Ca 0.42 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1wgd s PRO 44 Cb -0.17 -4.55 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1wgd s PRO 44 CO 0.16 -2.53 0.00 -0.85 0.04 0.00 0.00 177.00 173.81 1wgd n GLU 45 N 9.17 0.00 -2.66 4.56 0.28 -1.26 -5.00 120.64 125.73 1wgd n GLU 45 Ca 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 57.10 1wgd n GLU 45 Cb 0.50 0.00 0.04 0.00 1.43 0.00 0.00 31.44 33.41 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 -1.44 -1.53 3.44 5.12 -1.17 -5.02 116.66 116.06 1wgd n ARG 46 Ca 0.00 0.64 -0.29 0.00 -1.93 0.00 0.00 57.85 56.27 1wgd n ARG 46 Cb 0.00 -4.40 0.14 0.00 -1.16 0.00 0.00 32.46 27.04 1wgd n ARG 46 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wgd s PRO 47 N -3.84 1.06 0.26 5.56 0.04 -1.26 -5.04 135.00 131.79 1wgd s PRO 47 Ca 0.28 0.26 -0.17 0.00 0.04 0.00 0.00 61.00 61.41 1wgd s PRO 47 Cb -0.04 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 1wgd s PRO 47 CO 0.50 -2.24 0.71 1.03 0.04 0.00 0.00 177.00 177.03 1wgd s ARG 48 N -5.30 4.09 0.37 4.56 3.00 -1.26 -4.78 118.95 119.64 1wgd s ARG 48 Ca 0.64 0.72 0.20 0.00 0.00 0.00 0.00 55.73 57.29 1wgd s ARG 48 Cb -0.14 -2.67 0.55 0.00 0.00 0.00 0.00 34.95 32.69 1wgd s ARG 48 CO 0.53 0.29 1.66 -1.00 0.00 0.00 0.00 175.30 176.79 1wgd h PRO 49 N 2.85 0.00 -1.13 3.54 0.13 -1.92 -1.92 132.00 133.56 1wgd h PRO 49 Ca -0.48 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.35 1wgd h PRO 49 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 1wgd h PRO 49 CO 0.66 0.35 0.38 0.39 -0.23 0.00 0.00 178.00 179.54 1wgd n GLU 50 N -3.35 1.72 0.00 0.86 -0.58 -1.26 -4.01 120.64 114.02 1wgd n GLU 50 Ca 0.01 -1.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.12 1wgd n GLU 50 Cb 0.56 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1wgd n GLU 50 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wgd n ASP 51 N -0.21 0.00 -4.51 1.62 8.00 -1.16 -5.05 116.55 115.25 1wgd n ASP 51 Ca 0.32 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.49 1wgd n ASP 51 Cb 0.98 0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 42.12 1wgd n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgd n GLN 52 N -2.30 0.09 -2.22 -1.24 6.02 -0.73 -4.61 117.38 112.37 1wgd n GLN 52 Ca 0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.53 1wgd n GLN 52 Cb 0.00 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.71 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 8.23 4.05 -0.38 -1.09 0.52 -0.35 -4.86 118.95 125.07 1wgd s ARG 53 Ca 1.30 1.74 -0.15 0.00 -0.52 0.00 0.00 55.73 58.11 1wgd s ARG 53 Cb -1.00 -3.92 0.00 0.00 0.52 0.00 0.00 34.95 30.56 1wgd s ARG 53 CO 0.49 -0.97 0.31 -0.51 0.02 0.00 0.00 175.30 174.63 1wgd s LEU 54 N 4.26 4.81 -0.30 2.53 1.02 -1.26 0.68 118.68 130.43 1wgd s LEU 54 Ca 0.65 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 54.17 1wgd s LEU 54 Cb -0.25 -2.21 0.06 0.00 0.02 0.00 0.00 46.19 43.82 1wgd s LEU 54 CO 0.24 -0.39 -0.03 -0.63 0.02 0.00 0.00 176.35 175.56 1wgd s ILE 55 N 1.80 2.57 -0.39 -0.59 1.09 0.16 0.46 121.20 126.30 1wgd s ILE 55 Ca 0.07 -1.66 0.25 0.00 -1.10 0.00 0.00 60.65 58.21 1wgd s ILE 55 Cb -0.18 -2.56 0.34 0.00 -1.06 0.00 0.00 42.46 39.00 1wgd s ILE 55 CO 0.11 -0.18 1.68 0.22 -0.10 0.00 0.00 174.94 176.67 1wgd h TYR 56 N 7.85 0.00 0.00 3.97 3.20 -1.79 1.53 116.97 131.73 1wgd h TYR 56 Ca -0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.70 1wgd h TYR 56 Cb 1.05 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.32 1wgd h TYR 56 CO 0.60 0.00 0.00 0.45 -1.64 0.00 0.00 178.16 177.57 1wgd n SER 57 N -3.02 0.00 -1.60 -2.11 2.88 -1.26 -4.66 113.62 103.86 1wgd n SER 57 Ca 0.04 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 1wgd n SER 57 Cb 0.49 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.93 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 0.00 0.15 2.89 0.46 0.00 -1.26 -4.82 105.19 102.61 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 -3.30 0.34 0.57 1.61 1.02 -1.26 -5.14 119.74 113.58 1wgd s LYS 59 Ca 0.00 0.38 -0.20 0.00 0.02 0.00 0.00 55.97 56.17 1wgd s LYS 59 Cb 0.00 -0.53 -0.04 0.00 -0.52 0.00 0.00 37.83 36.74 1wgd s LYS 59 CO 0.00 -0.75 1.23 -1.17 -0.92 0.00 0.00 175.35 173.75 1wgd s LEU 60 N 2.51 3.74 0.48 3.17 2.96 -1.26 -2.86 118.68 127.42 1wgd s LEU 60 Ca 0.11 2.46 -0.01 0.00 -0.22 0.00 0.00 54.13 56.48 1wgd s LEU 60 Cb -0.15 -4.49 -0.00 0.00 0.50 0.00 0.00 46.19 42.05 1wgd s LEU 60 CO -0.19 -1.52 0.71 -0.76 -1.32 0.00 0.00 176.35 173.26 1wgd s LEU 61 N -3.84 3.57 0.40 -0.68 1.43 0.17 -4.92 118.68 114.81 1wgd s LEU 61 Ca 0.75 0.35 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1wgd s LEU 61 Cb -0.32 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1wgd s LEU 61 CO 0.36 -0.77 0.15 -0.76 0.23 0.00 0.00 176.35 175.57 1wgd s LEU 62 N -4.63 3.10 0.06 1.79 1.43 -1.26 -4.79 118.68 114.38 1wgd s LEU 62 Ca 0.49 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.41 1wgd s LEU 62 Cb -0.10 -1.42 -0.29 0.00 0.03 0.00 0.00 46.19 44.40 1wgd s LEU 62 CO 0.39 -0.49 1.09 -2.24 0.23 0.00 0.00 176.35 175.34 1wgd h ASP 63 N 1.49 0.76 -0.08 2.29 2.03 -1.99 -3.32 116.42 117.61 1wgd h ASP 63 Ca -0.43 -0.75 -0.37 0.00 -0.73 0.00 0.00 57.03 54.75 1wgd h ASP 63 Cb 1.25 -0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 39.46 1wgd h ASP 63 CO 0.70 1.57 1.04 0.00 -1.03 0.00 0.00 179.24 181.51 1wgd n HIS 64 N -3.72 0.89 -4.24 4.15 1.44 -1.26 -4.49 115.22 107.99 1wgd n HIS 64 Ca -0.13 -2.05 -0.17 0.00 -2.01 0.00 0.00 57.72 53.36 1wgd n HIS 64 Cb 1.02 -1.87 -0.08 0.00 0.12 0.00 0.00 29.99 29.18 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 1.17 1.64 0.01 -1.40 -0.21 -1.25 -5.14 119.66 114.48 1wgd s GLN 65 Ca 0.67 -1.90 0.02 0.00 0.02 0.00 0.00 55.36 54.17 1wgd s GLN 65 Cb 0.28 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.60 1wgd s GLN 65 CO -0.03 -0.60 -0.06 0.00 -2.12 0.00 0.00 175.29 172.48 1wgd h LEU 67 N 5.46 1.12 -0.09 0.00 3.38 -1.69 -1.09 115.31 122.40 1wgd h LEU 67 Ca -0.31 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1wgd h LEU 67 Cb 1.20 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1wgd h LEU 67 CO 0.47 0.84 -0.09 -0.09 0.09 0.00 0.00 178.44 179.66 1wgd h ARG 68 N 1.31 -0.05 0.33 1.13 2.43 -1.80 0.74 114.38 118.47 1wgd h ARG 68 Ca 0.35 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1wgd h ARG 68 Cb -0.10 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1wgd h ARG 68 CO -0.07 -0.03 -0.31 -0.44 -1.51 0.00 0.00 179.97 177.61 1wgd h ASP 69 N -0.05 -0.83 0.00 -3.80 5.19 -1.87 -3.16 116.42 111.90 1wgd h ASP 69 Ca 0.01 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1wgd h ASP 69 Cb 0.09 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1wgd h ASP 69 CO -0.11 -0.45 0.00 0.18 -3.12 0.00 0.00 179.24 175.75 1wgd n LEU 70 N -5.43 0.00 -4.76 1.55 4.77 -0.42 -4.38 117.00 108.33 1wgd n LEU 70 Ca -0.09 0.83 -0.39 0.00 -0.03 0.00 0.00 56.01 56.33 1wgd n LEU 70 Cb 0.33 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1wgd n LEU 70 CO 0.29 -0.33 0.94 -0.76 -1.33 0.00 0.00 177.39 176.21 1wgd s LEU 71 N -4.62 4.05 0.00 2.23 1.43 0.25 -5.01 118.68 117.01 1wgd s LEU 71 Ca 0.00 2.62 -0.17 0.00 -1.03 0.00 0.00 54.13 55.55 1wgd s LEU 71 Cb 0.00 -4.10 0.24 0.00 0.03 0.00 0.00 46.19 42.36 1wgd s LEU 71 CO 0.00 -1.10 1.08 -0.81 0.23 0.00 0.00 176.35 175.75 1wgd n PRO 72 N -0.39 -2.02 -0.50 1.29 -0.04 -1.26 -4.73 135.00 127.35 1wgd n PRO 72 Ca 0.07 -1.69 -0.28 0.00 -0.04 0.00 0.00 63.50 61.55 1wgd n PRO 72 Cb 0.45 -1.34 0.22 0.00 -0.04 0.00 0.00 33.50 32.79 1wgd n PRO 72 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1wgd n LYS 73 N -3.98 -2.68 -2.39 0.54 4.76 -1.26 -4.90 118.16 108.25 1wgd n LYS 73 Ca 0.14 -0.78 -0.41 0.00 -2.87 0.00 0.00 58.31 54.40 1wgd n LYS 73 Cb 0.52 -1.81 -0.04 0.00 -1.84 0.00 0.00 35.03 31.86 1wgd n LYS 73 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1wgd s GLN 74 N -4.00 4.56 0.00 1.97 -2.07 -1.26 -4.69 119.66 114.18 1wgd s GLN 74 Ca 0.58 1.89 0.00 0.00 -1.82 0.00 0.00 55.36 56.01 1wgd s GLN 74 Cb -0.14 -3.18 0.00 0.00 -1.09 0.00 0.00 33.01 28.60 1wgd s GLN 74 CO 0.58 0.08 0.00 -1.91 -1.32 0.00 0.00 175.29 172.72 1wgd n GLU 75 N 1.40 0.00 -4.07 9.60 0.00 -1.26 -5.15 120.64 121.15 1wgd n GLU 75 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1wgd n GLU 75 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.79 1wgd n GLU 75 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1wgd s LYS 76 N -1.83 0.97 1.04 5.31 1.02 -1.26 -5.15 119.74 119.82 1wgd s LYS 76 Ca 0.00 -1.32 -0.11 0.00 0.02 0.00 0.00 55.97 54.56 1wgd s LYS 76 Cb 0.00 0.28 0.21 0.00 -0.52 0.00 0.00 37.83 37.81 1wgd s LYS 76 CO 0.00 -0.30 1.09 1.03 -0.92 0.00 0.00 175.35 176.25 1wgd s ARG 77 N -4.00 0.07 0.13 1.68 0.52 -1.26 -5.03 118.95 111.06 1wgd s ARG 77 Ca 0.20 1.24 0.05 0.00 -0.52 0.00 0.00 55.73 56.70 1wgd s ARG 77 Cb 0.06 -1.64 -0.04 0.00 0.52 0.00 0.00 34.95 33.85 1wgd s ARG 77 CO -0.00 -3.18 0.04 -1.01 0.02 0.00 0.00 175.30 171.17 1wgd s HIS 78 N -2.55 3.01 -0.27 -0.53 3.76 -0.86 -5.03 115.29 112.83 1wgd s HIS 78 Ca 0.68 -0.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 1wgd s HIS 78 Cb -0.24 -1.50 0.07 0.00 1.11 0.00 0.00 32.58 32.02 1wgd s HIS 78 CO 0.61 0.50 -0.08 0.08 -0.85 0.00 0.00 174.74 175.01 1wgd s VAL 79 N -1.54 2.06 0.50 -0.90 1.01 -1.26 0.38 120.40 120.64 1wgd s VAL 79 Ca 0.28 -1.66 0.08 0.00 0.00 0.00 0.00 61.98 60.67 1wgd s VAL 79 Cb -0.11 -2.25 0.05 0.00 0.00 0.00 0.00 36.38 34.07 1wgd s VAL 79 CO 0.20 -0.13 0.69 -0.76 0.00 0.00 0.00 175.10 175.10 1wgd s LEU 80 N 1.13 3.40 -0.30 3.92 2.01 0.49 -4.70 118.68 124.63 1wgd s LEU 80 Ca -0.05 -0.53 -0.03 0.00 0.01 0.00 0.00 54.13 53.52 1wgd s LEU 80 Cb -0.20 -2.28 0.10 0.00 0.01 0.00 0.00 46.19 43.82 1wgd s LEU 80 CO -0.06 -1.05 0.14 -1.00 1.01 0.00 0.00 176.35 175.38 1wgd s HIS 81 N -2.54 0.56 -0.36 0.29 3.76 0.52 0.48 115.29 118.00 1wgd s HIS 81 Ca 0.58 -1.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.19 1wgd s HIS 81 Cb -0.08 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.60 1wgd s HIS 81 CO 0.36 -0.84 0.72 -1.17 -0.85 0.00 0.00 174.74 172.96 1wgd s LEU 82 N 1.91 4.19 -0.16 0.89 2.96 -1.24 0.37 118.68 127.61 1wgd s LEU 82 Ca 0.10 0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 54.16 1wgd s LEU 82 Cb -0.17 -2.92 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 1wgd s LEU 82 CO -0.31 -0.68 0.18 -0.69 -1.32 0.00 0.00 176.35 173.54 1wgd s VAL 83 N 2.93 5.39 0.36 1.68 1.01 0.21 -4.88 120.40 127.11 1wgd s VAL 83 Ca 0.28 0.31 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1wgd s VAL 83 Cb -0.14 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1wgd s VAL 83 CO 0.16 0.49 0.95 0.00 0.00 0.00 0.00 175.10 176.70 1wgd s ASN 85 N -1.77 -0.49 -0.16 0.00 2.47 -1.26 -4.91 114.94 108.82 1wgd s ASN 85 Ca 0.54 0.83 -0.06 0.00 0.42 0.00 0.00 52.86 54.58 1wgd s ASN 85 Cb -0.16 0.80 0.07 0.00 -1.45 0.00 0.00 41.25 40.51 1wgd s ASN 85 CO 0.21 -0.24 0.33 0.54 -3.72 0.00 0.00 177.10 174.22 1wgd s VAL 86 N -0.17 -0.45 -0.51 -5.21 0.11 -1.26 -4.58 120.40 108.33 1wgd s VAL 86 Ca 0.00 0.21 -0.23 0.00 -2.93 0.00 0.00 61.98 59.04 1wgd s VAL 86 Cb -0.04 -0.54 0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1wgd s VAL 86 CO -0.02 0.09 0.83 -0.54 -3.33 0.00 0.00 175.10 172.13 1wgd s LYS 87 N 2.33 3.32 0.24 1.54 3.01 -1.26 -4.99 119.74 123.93 1wgd s LYS 87 Ca -0.01 -0.33 -0.27 0.00 -1.01 0.00 0.00 55.97 54.35 1wgd s LYS 87 Cb -0.12 -4.02 -0.17 0.00 -1.01 0.00 0.00 37.83 32.51 1wgd s LYS 87 CO -0.10 -1.32 0.44 0.45 0.51 0.00 0.00 175.35 175.33 1wgd n SER 88 N 6.98 -1.54 0.00 2.83 2.88 -1.26 -4.85 113.62 118.66 1wgd n SER 88 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1wgd n SER 88 Cb 0.47 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 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 2.06 -0.75 3.77 0.46 0.00 -1.26 -5.12 105.19 104.34 1wgd n GLY 89 Ca 0.17 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 1wgd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgd s PRO 90 N -1.57 4.49 0.15 1.61 0.04 -1.26 -5.02 135.00 133.43 1wgd s PRO 90 Ca 0.00 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 1wgd s PRO 90 Cb 0.00 -2.97 -0.08 0.00 0.04 0.00 0.00 34.50 31.50 1wgd s PRO 90 CO 0.00 0.11 0.79 -1.54 0.04 0.00 0.00 177.00 176.40 1wgd s SER 91 N -1.13 7.38 0.20 6.66 1.04 -1.26 -5.05 113.70 121.54 1wgd s SER 91 Ca 0.49 1.64 -0.20 0.00 0.48 0.00 0.00 55.95 58.36 1wgd s SER 91 Cb -0.28 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.37 1wgd s SER 91 CO 0.36 0.16 0.58 -0.44 0.98 0.00 0.00 173.24 174.88 1wgd s SER 92 N -0.91 -0.35 0.00 7.02 0.01 -1.26 -5.33 113.70 112.87 1wgd s SER 92 Ca 0.37 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.27 1wgd s SER 92 Cb -0.23 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1wgd s SER 92 CO 0.26 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.44