#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 1.59 0.00 1.61 7.64 -1.26 -4.98 113.62 118.23 1wgd n SER 2 Ca 0.00 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.15 1wgd n SER 2 Cb 0.00 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 1wgd n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wgd n SER 3 N -4.06 0.00 0.00 6.43 7.64 -1.26 -4.75 113.62 117.62 1wgd n SER 3 Ca -0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.58 1wgd n SER 3 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.00 3.05 3.06 0.23 0.00 -1.26 -4.95 105.19 105.32 1wgd n GLY 4 Ca 0.00 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1wgd n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgd n SER 5 N 0.00 5.09 -3.37 1.61 2.88 -1.26 -4.89 113.62 113.67 1wgd n SER 5 Ca 0.00 -3.22 -0.26 0.00 -1.33 0.00 0.00 58.87 54.06 1wgd n SER 5 Cb 0.00 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 62.21 1wgd n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgd s SER 6 N -0.46 1.64 0.00 -3.46 0.01 -1.26 -5.10 113.70 105.06 1wgd s SER 6 Ca 0.31 -2.70 0.00 0.00 1.31 0.00 0.00 55.95 54.87 1wgd s SER 6 Cb -0.02 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.96 1wgd s SER 6 CO -0.04 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1wgd n GLY 7 N 3.23 5.51 3.34 3.44 0.00 -1.26 -4.74 105.19 114.70 1wgd n GLY 7 Ca 0.24 -1.12 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 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 1.58 0.30 -0.20 1.61 -7.23 -1.25 -4.88 120.40 110.33 1wgd s VAL 8 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 1wgd s VAL 8 Cb 0.00 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.48 1wgd s VAL 8 CO 0.00 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.79 1wgd s THR 9 N -3.59 1.69 -0.12 5.32 2.01 -1.26 0.19 115.64 119.88 1wgd s THR 9 Ca 0.36 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1wgd s THR 9 Cb 0.05 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1wgd s THR 9 CO 0.18 0.21 0.28 -0.76 -0.69 0.00 0.00 174.62 173.84 1wgd s LEU 10 N 1.38 4.32 -0.44 4.42 1.43 0.31 -2.29 118.68 127.82 1wgd s LEU 10 Ca -0.01 0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 1wgd s LEU 10 Cb -0.16 -2.35 0.04 0.00 0.03 0.00 0.00 46.19 43.75 1wgd s LEU 10 CO -0.09 0.21 0.40 -0.22 0.23 0.00 0.00 176.35 176.89 1wgd s LEU 11 N -0.16 5.20 -0.50 1.79 2.96 0.11 -1.72 118.68 126.35 1wgd s LEU 11 Ca 0.17 -0.98 -0.29 0.00 -0.22 0.00 0.00 54.13 52.81 1wgd s LEU 11 Cb -0.13 -2.26 0.02 0.00 0.50 0.00 0.00 46.19 44.32 1wgd s LEU 11 CO 0.06 -0.60 1.25 -0.69 -1.32 0.00 0.00 176.35 175.05 1wgd s VAL 12 N 1.89 4.04 -0.05 1.68 1.01 0.58 0.19 120.40 129.74 1wgd s VAL 12 Ca 0.08 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.03 1wgd s VAL 12 Cb -0.20 -4.52 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1wgd s VAL 12 CO 0.10 -1.05 0.16 -0.54 0.00 0.00 0.00 175.10 173.77 1wgd s LYS 13 N 4.82 3.43 -0.54 2.72 1.02 0.20 -1.72 119.74 129.68 1wgd s LYS 13 Ca 0.50 -0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.22 1wgd s LYS 13 Cb -0.09 -3.13 0.14 0.00 -0.52 0.00 0.00 37.83 34.23 1wgd s LYS 13 CO 0.30 0.71 0.34 0.45 -0.92 0.00 0.00 175.35 176.23 1wgd s SER 14 N -1.60 5.16 -1.22 2.83 0.15 -1.26 -2.87 113.70 114.89 1wgd s SER 14 Ca 0.23 -2.56 -0.20 0.00 0.70 0.00 0.00 55.95 54.11 1wgd s SER 14 Cb -0.12 -1.82 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 1wgd s SER 14 CO 0.13 -0.42 1.88 -0.81 1.20 0.00 0.00 173.24 175.22 1wgd n PRO 15 N 3.86 2.38 0.00 5.44 -0.04 -1.26 -3.87 135.00 141.51 1wgd n PRO 15 Ca 0.04 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1wgd n PRO 15 Cb 0.39 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.33 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 10.46 0.00 -4.04 3.54 5.15 -1.26 -5.00 115.26 124.11 1wgd n ASN 16 Ca 0.48 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 54.03 1wgd n ASN 16 Cb 0.45 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.72 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 0.00 -0.37 0.00 1.20 6.02 -1.26 -4.83 117.38 118.15 1wgd n GLN 17 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1wgd n GLN 17 Cb 0.00 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.09 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1wgd n ARG 18 N -4.58 0.00 0.00 -1.09 5.12 -1.25 -5.02 116.66 109.84 1wgd n ARG 18 Ca -0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1wgd n ARG 18 Cb 0.53 -0.39 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 1wgd n ARG 18 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1wgd n HIS 19 N -2.64 0.00 -1.21 -1.55 -0.00 -1.26 -4.88 115.22 103.67 1wgd n HIS 19 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1wgd n HIS 19 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.29 1wgd n HIS 19 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wgd n ARG 20 N 0.00 0.00 -4.44 1.57 1.74 -1.26 -4.73 116.66 109.55 1wgd n ARG 20 Ca 0.00 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.84 1wgd n ARG 20 Cb 0.00 -0.96 -0.08 0.00 -1.02 0.00 0.00 32.46 30.40 1wgd n ARG 20 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1wgd s ASP 21 N -0.96 2.40 -0.23 0.55 1.11 -1.26 -4.04 116.67 114.24 1wgd s ASP 21 Ca 0.55 -1.71 -0.03 0.00 0.18 0.00 0.00 52.55 51.54 1wgd s ASP 21 Cb -0.52 0.54 0.11 0.00 1.07 0.00 0.00 42.92 44.13 1wgd s ASP 21 CO 0.62 -0.99 0.29 -0.22 1.18 0.00 0.00 175.17 176.05 1wgd s LEU 22 N -3.53 -0.31 -0.36 1.23 2.96 -0.70 -4.94 118.68 113.04 1wgd s LEU 22 Ca 0.29 -0.13 -0.18 0.00 -0.22 0.00 0.00 54.13 53.89 1wgd s LEU 22 Cb 0.02 0.65 -0.00 0.00 0.50 0.00 0.00 46.19 47.37 1wgd s LEU 22 CO 0.19 -0.33 0.49 -1.61 -1.32 0.00 0.00 176.35 173.78 1wgd s GLU 23 N 2.41 3.57 0.36 1.98 2.02 -1.26 -0.31 118.70 127.47 1wgd s GLU 23 Ca 0.09 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.88 1wgd s GLU 23 Cb -0.15 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 1wgd s GLU 23 CO -0.16 -0.65 0.08 -0.48 0.02 0.00 0.00 175.26 174.07 1wgd s LEU 24 N 2.34 2.10 0.46 1.80 2.34 -0.70 -4.95 118.68 122.08 1wgd s LEU 24 Ca 0.17 -1.49 -0.22 0.00 0.06 0.00 0.00 54.13 52.65 1wgd s LEU 24 Cb -0.16 -0.29 -0.08 0.00 -0.56 0.00 0.00 46.19 45.11 1wgd s LEU 24 CO 0.13 -0.73 1.13 -0.55 -1.06 0.00 0.00 176.35 175.27 1wgd s SER 25 N -3.54 6.23 -0.32 1.48 0.15 -1.26 -0.53 113.70 115.91 1wgd s SER 25 Ca 0.31 2.21 0.18 0.00 0.70 0.00 0.00 55.95 59.35 1wgd s SER 25 Cb 0.06 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.24 1wgd s SER 25 CO 0.15 -0.87 0.97 0.61 1.20 0.00 0.00 173.24 175.29 1wgd n GLY 26 N 0.34 1.70 3.18 9.45 0.00 0.52 -4.64 105.19 115.74 1wgd n GLY 26 Ca 0.08 -1.33 -0.48 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.11 -0.73 0.10 1.61 2.03 -1.26 -3.82 116.55 114.37 1wgd n ASP 27 Ca 0.10 1.06 0.08 0.00 0.52 0.00 0.00 54.79 56.55 1wgd n ASP 27 Cb 0.81 -0.87 0.40 0.00 -0.72 0.00 0.00 41.12 40.75 1wgd n ASP 27 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wgd n ARG 28 N 1.10 0.10 0.01 -0.67 1.74 -1.26 -0.77 116.66 116.91 1wgd n ARG 28 Ca 0.17 0.54 -0.03 0.00 -0.77 0.00 0.00 57.85 57.76 1wgd n ARG 28 Cb 0.17 -1.80 -0.11 0.00 -1.02 0.00 0.00 32.46 29.71 1wgd n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wgd n GLY 29 N -1.04 -1.12 3.15 -0.13 0.00 -1.26 -1.46 105.19 103.33 1wgd n GLY 29 Ca -0.00 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1wgd n GLY 29 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wgd n TRP 30 N -2.91 -1.62 -4.73 1.61 7.02 0.05 -4.81 117.44 112.06 1wgd n TRP 30 Ca -0.13 0.35 -0.25 0.00 -1.02 0.00 0.00 57.50 56.45 1wgd n TRP 30 Cb 0.91 -1.49 -0.16 0.00 -2.42 0.00 0.00 31.31 28.15 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 -1.45 1.98 0.10 -0.99 0.01 -1.26 -3.74 113.70 108.35 1wgd s SER 31 Ca 0.47 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 57.20 1wgd s SER 31 Cb -0.03 -0.69 -0.04 0.00 0.21 0.00 0.00 66.02 65.47 1wgd s SER 31 CO 0.67 0.11 1.26 0.52 0.41 0.00 0.00 173.24 176.21 1wgd n VAL 32 N 3.39 -0.43 -0.33 3.43 0.31 -1.25 0.21 118.33 123.67 1wgd n VAL 32 Ca -0.20 1.97 0.14 0.00 -0.01 0.00 0.00 64.34 66.24 1wgd n VAL 32 Cb 0.53 -2.47 0.36 0.00 -0.91 0.00 0.00 33.84 31.34 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 1.57 0.60 2.92 0.00 -1.80 -1.49 103.07 104.87 1wgd h GLY 33 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 1wgd h GLY 33 CO -0.59 -0.03 -0.22 0.84 0.00 0.00 0.00 176.54 176.54 1wgd h HIS 34 N 0.71 -0.57 -0.86 5.60 6.17 0.13 -3.11 115.15 123.22 1wgd h HIS 34 Ca 0.55 -0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.69 1wgd h HIS 34 Cb 0.92 0.19 -0.10 0.00 2.52 0.00 0.00 27.41 30.94 1wgd h HIS 34 CO -0.00 -0.26 -0.51 -0.11 0.71 0.00 0.00 177.93 177.76 1wgd n LEU 35 N -5.21 -0.91 -0.25 0.26 7.94 0.58 -0.42 117.00 118.98 1wgd n LEU 35 Ca -0.10 1.63 -0.06 0.00 -1.11 0.00 0.00 56.01 56.37 1wgd n LEU 35 Cb 0.29 -0.25 -0.06 0.00 0.53 0.00 0.00 43.42 43.94 1wgd n LEU 35 CO 0.26 -1.30 0.44 0.29 -1.11 0.00 0.00 177.39 175.98 1wgd n LYS 36 N -4.97 -0.26 -0.25 1.96 5.02 -0.64 0.20 118.16 119.22 1wgd n LYS 36 Ca 0.02 1.20 0.05 0.00 -2.02 0.00 0.00 58.31 57.56 1wgd n LYS 36 Cb 0.22 -1.78 0.16 0.00 -0.02 0.00 0.00 35.03 33.62 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 -0.02 0.80 -0.73 7.82 0.00 -0.67 0.79 119.26 127.25 1wgd h ALA 37 Ca 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1wgd h ALA 37 Cb 0.24 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1wgd h ALA 37 CO -0.55 -0.42 0.41 1.25 0.00 0.00 0.00 179.25 179.94 1wgd h HIS 38 N 0.12 0.99 0.81 0.00 -0.00 0.34 -2.74 115.15 114.67 1wgd h HIS 38 Ca 0.41 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.72 1wgd h HIS 38 Cb 0.72 -0.32 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1wgd h HIS 38 CO -0.40 0.69 -0.39 -0.07 -0.00 0.00 0.00 177.93 177.76 1wgd h LEU 39 N 1.00 -0.92 -1.82 0.26 3.38 0.78 -2.15 115.31 115.84 1wgd h LEU 39 Ca 0.26 0.03 0.53 0.00 0.09 0.00 0.00 57.88 58.79 1wgd h LEU 39 Cb 0.02 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1wgd h LEU 39 CO -0.04 -0.63 1.31 -1.54 0.09 0.00 0.00 178.44 177.63 1wgd n SER 40 N -5.12 0.01 0.00 -0.43 3.41 0.22 0.13 113.62 111.83 1wgd n SER 40 Ca -0.14 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.41 1wgd n SER 40 Cb 0.43 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1wgd n SER 40 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1wgd n ARG 41 N -3.81 0.00 0.21 4.33 0.63 -0.83 -3.11 116.66 114.07 1wgd n ARG 41 Ca 0.41 0.48 0.17 0.00 -0.92 0.00 0.00 57.85 58.00 1wgd n ARG 41 Cb 1.86 -1.26 0.72 0.00 0.45 0.00 0.00 32.46 34.23 1wgd n ARG 41 CO 0.00 0.00 0.00 -0.39 -2.51 0.00 0.00 177.63 174.73 1wgd h VAL 42 N 0.00 0.16 -3.31 5.15 -1.51 -0.47 -3.39 116.25 112.89 1wgd h VAL 42 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 66.70 64.90 1wgd h VAL 42 Cb 0.00 0.59 -0.06 0.00 -2.13 0.00 0.00 31.29 29.69 1wgd h VAL 42 CO 0.00 0.00 0.39 -0.47 -1.23 0.00 0.00 177.57 176.26 1wgd s TYR 43 N -4.33 3.47 -0.71 5.19 5.04 0.12 -4.98 117.35 121.14 1wgd s TYR 43 Ca -0.03 1.35 -0.26 0.00 -2.44 0.00 0.00 57.07 55.68 1wgd s TYR 43 Cb 0.11 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.40 1wgd s TYR 43 CO 0.38 -0.19 1.58 -1.25 -1.34 0.00 0.00 175.55 174.74 1wgd s PRO 44 N 1.91 2.93 0.00 4.97 0.04 -1.26 -3.04 135.00 140.55 1wgd s PRO 44 Ca 0.41 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.51 1wgd s PRO 44 Cb -0.17 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1wgd s PRO 44 CO 0.15 -2.48 0.00 -0.85 0.04 0.00 0.00 177.00 173.86 1wgd n GLU 45 N 9.23 0.00 -2.85 4.56 0.28 -1.26 -4.99 120.64 125.61 1wgd n GLU 45 Ca 0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.03 1wgd n GLU 45 Cb 0.50 0.00 0.05 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 -1.81 -1.71 3.44 5.12 -1.17 -4.96 116.66 115.57 1wgd n ARG 46 Ca 0.00 0.67 -0.31 0.00 -1.93 0.00 0.00 57.85 56.27 1wgd n ARG 46 Cb 0.00 -4.84 0.04 0.00 -1.16 0.00 0.00 32.46 26.50 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 -4.09 3.07 0.45 5.56 0.04 -1.26 -4.99 135.00 133.77 1wgd s PRO 47 Ca 0.34 1.01 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 1wgd s PRO 47 Cb -0.04 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 1wgd s PRO 47 CO 0.57 -1.00 1.06 1.03 0.04 0.00 0.00 177.00 178.70 1wgd s ARG 48 N -4.79 3.92 0.23 4.56 0.52 -1.26 -4.68 118.95 117.45 1wgd s ARG 48 Ca 0.59 1.48 0.10 0.00 -0.52 0.00 0.00 55.73 57.39 1wgd s ARG 48 Cb -0.14 -2.31 0.18 0.00 0.52 0.00 0.00 34.95 33.20 1wgd s ARG 48 CO 0.50 -0.35 1.50 -1.00 0.02 0.00 0.00 175.30 175.98 1wgd h PRO 49 N 1.99 0.00 -0.00 3.54 0.13 -1.93 0.12 132.00 135.84 1wgd h PRO 49 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1wgd h PRO 49 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wgd h PRO 49 CO 0.60 0.72 -0.00 0.39 -0.23 0.00 0.00 178.00 179.48 1wgd n GLU 50 N -3.62 1.10 -0.06 0.86 -0.58 -1.26 -3.67 120.64 113.41 1wgd n GLU 50 Ca -0.01 -0.19 -0.11 0.00 -0.42 0.00 0.00 57.16 56.43 1wgd n GLU 50 Cb 0.72 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 30.05 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 -0.78 1.93 -4.57 1.62 8.00 -1.05 -4.98 116.55 116.72 1wgd n ASP 51 Ca 0.22 0.05 -0.57 0.00 0.71 0.00 0.00 54.79 55.21 1wgd n ASP 51 Cb 0.17 -0.27 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 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 -3.21 0.89 -3.21 -1.24 6.02 0.00 -4.34 117.38 112.30 1wgd n GLN 52 Ca -0.22 0.30 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 1wgd n GLN 52 Cb 0.69 -2.08 -0.07 0.00 1.02 0.00 0.00 30.24 29.79 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 4.68 3.17 -0.38 -1.09 0.52 0.24 -4.93 118.95 121.17 1wgd s ARG 53 Ca 1.05 -0.63 -0.19 0.00 -0.52 0.00 0.00 55.73 55.45 1wgd s ARG 53 Cb -1.10 -3.98 0.01 0.00 0.52 0.00 0.00 34.95 30.39 1wgd s ARG 53 CO 0.62 -0.98 0.56 -0.51 0.02 0.00 0.00 175.30 175.01 1wgd s LEU 54 N 2.50 4.41 -0.21 2.53 1.02 -1.26 0.28 118.68 127.95 1wgd s LEU 54 Ca 0.17 -0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.20 1wgd s LEU 54 Cb -0.16 -2.63 0.03 0.00 0.02 0.00 0.00 46.19 43.45 1wgd s LEU 54 CO 0.15 -0.58 -0.17 -0.63 0.02 0.00 0.00 176.35 175.15 1wgd s ILE 55 N 2.52 2.15 -1.26 -0.59 1.09 0.55 -0.99 121.20 124.67 1wgd s ILE 55 Ca 0.20 -1.14 0.26 0.00 -1.10 0.00 0.00 60.65 58.86 1wgd s ILE 55 Cb -0.15 -2.02 0.12 0.00 -1.06 0.00 0.00 42.46 39.35 1wgd s ILE 55 CO 0.15 0.36 1.50 0.00 -0.10 0.00 0.00 174.94 176.85 1wgd n TYR 56 N 4.57 0.00 0.00 3.97 9.36 -1.14 0.20 117.16 134.12 1wgd n TYR 56 Ca -0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.03 1wgd n TYR 56 Cb 0.48 -0.22 0.00 0.00 -0.63 0.00 0.00 39.34 38.97 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 -1.22 0.00 -1.55 2.98 7.64 -1.26 -4.77 113.62 115.44 1wgd n SER 57 Ca 0.08 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.89 1wgd n SER 57 Cb 0.34 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.31 2.82 0.23 0.00 -1.26 -4.83 105.19 102.47 1wgd n GLY 58 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.24 0.30 0.59 1.61 1.02 -1.26 -5.14 119.74 113.62 1wgd s LYS 59 Ca 0.00 0.21 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 1wgd s LYS 59 Cb 0.00 -0.73 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 1wgd s LYS 59 CO 0.00 -0.79 1.19 -1.17 -0.92 0.00 0.00 175.35 173.66 1wgd s LEU 60 N 2.43 3.66 0.56 3.17 2.96 -1.26 -2.86 118.68 127.34 1wgd s LEU 60 Ca 0.10 2.34 -0.03 0.00 -0.22 0.00 0.00 54.13 56.32 1wgd s LEU 60 Cb -0.15 -4.59 0.02 0.00 0.50 0.00 0.00 46.19 41.96 1wgd s LEU 60 CO -0.21 -1.56 0.83 -0.76 -1.32 0.00 0.00 176.35 173.34 1wgd s LEU 61 N -4.09 3.30 0.38 -0.68 1.43 -0.16 -4.93 118.68 113.93 1wgd s LEU 61 Ca 0.76 0.45 0.08 0.00 -1.03 0.00 0.00 54.13 54.39 1wgd s LEU 61 Cb -0.29 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 1wgd s LEU 61 CO 0.33 -1.04 0.10 -0.76 0.23 0.00 0.00 176.35 175.20 1wgd s LEU 62 N -4.87 3.06 0.11 1.79 1.43 -1.26 -4.88 118.68 114.07 1wgd s LEU 62 Ca 0.54 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.66 1wgd s LEU 62 Cb -0.10 -1.39 -0.22 0.00 0.03 0.00 0.00 46.19 44.51 1wgd s LEU 62 CO 0.42 -0.39 1.26 -2.24 0.23 0.00 0.00 176.35 175.62 1wgd h ASP 63 N 1.61 0.03 -0.57 2.29 2.03 -1.99 -3.29 116.42 116.53 1wgd h ASP 63 Ca -0.43 -0.03 -0.34 0.00 -0.73 0.00 0.00 57.03 55.51 1wgd h ASP 63 Cb 1.25 -0.01 -0.13 0.00 -0.83 0.00 0.00 39.33 39.62 1wgd h ASP 63 CO 0.69 1.02 0.19 0.00 -1.03 0.00 0.00 179.24 180.12 1wgd n HIS 64 N -3.35 1.08 -3.92 4.15 1.44 -1.26 -4.57 115.22 108.79 1wgd n HIS 64 Ca -0.01 -1.76 -0.09 0.00 -2.01 0.00 0.00 57.72 53.85 1wgd n HIS 64 Cb 0.95 -1.22 -0.09 0.00 0.12 0.00 0.00 29.99 29.75 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 -1.00 0.61 0.02 -1.40 -0.21 -1.24 -5.15 119.66 111.30 1wgd s GLN 65 Ca 0.47 -0.77 0.07 0.00 0.02 0.00 0.00 55.36 55.15 1wgd s GLN 65 Cb 0.29 0.24 -0.03 0.00 1.00 0.00 0.00 33.01 34.51 1wgd s GLN 65 CO -0.09 -0.16 -0.19 0.00 -2.12 0.00 0.00 175.29 172.73 1wgd h LEU 67 N 4.79 -0.27 -0.88 0.00 3.38 -1.64 0.50 115.31 121.19 1wgd h LEU 67 Ca -0.47 0.13 0.23 0.00 0.09 0.00 0.00 57.88 57.85 1wgd h LEU 67 Cb 1.15 0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.98 1wgd h LEU 67 CO 0.47 -0.10 0.06 -0.09 0.09 0.00 0.00 178.44 178.88 1wgd h ARG 68 N 0.09 0.08 0.08 1.13 1.12 -1.53 1.46 114.38 116.81 1wgd h ARG 68 Ca 0.25 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.11 1wgd h ARG 68 Cb 0.38 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.32 1wgd h ARG 68 CO -0.44 0.06 -0.04 -0.44 -3.11 0.00 0.00 179.97 176.00 1wgd h ASP 69 N 0.09 -0.09 -0.16 -3.80 3.32 -1.25 -3.35 116.42 111.18 1wgd h ASP 69 Ca 0.52 -0.50 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1wgd h ASP 69 Cb 1.02 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 1wgd h ASP 69 CO -0.77 0.57 -0.39 -0.07 -1.72 0.00 0.00 179.24 176.86 1wgd h LEU 70 N -0.87 -1.25-10.19 1.55 3.38 0.15 -3.41 115.31 104.68 1wgd h LEU 70 Ca -0.01 0.15 -0.49 0.00 0.09 0.00 0.00 57.88 57.62 1wgd h LEU 70 Cb 0.59 0.49 0.07 0.00 0.09 0.00 0.00 40.66 41.90 1wgd h LEU 70 CO 0.02 -0.32 0.38 -0.76 0.09 0.00 0.00 178.44 177.85 1wgd s LEU 71 N -8.78 3.51 0.87 1.67 1.43 0.48 -5.03 118.68 112.83 1wgd s LEU 71 Ca -0.11 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.73 1wgd s LEU 71 Cb 0.05 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.85 1wgd s LEU 71 CO 0.43 -1.21 1.12 -2.16 0.23 0.00 0.00 176.35 174.77 1wgd s PRO 72 N -4.00 1.47 0.04 1.29 0.04 -1.26 -4.69 135.00 127.89 1wgd s PRO 72 Ca 0.65 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 61.96 1wgd s PRO 72 Cb -0.17 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1wgd s PRO 72 CO 0.36 -2.00 1.22 0.87 0.04 0.00 0.00 177.00 177.50 1wgd h LYS 73 N -1.36 -0.28 -2.30 4.56 1.57 -1.93 -3.44 116.57 113.39 1wgd h LYS 73 Ca -0.49 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 1wgd h LYS 73 Cb 1.31 0.06 -0.24 0.00 0.08 0.00 0.00 32.23 33.44 1wgd h LYS 73 CO 0.61 -0.18 -0.22 -1.14 -0.57 0.00 0.00 179.45 177.94 1wgd s GLN 74 N -4.11 0.47 -0.36 3.15 0.74 -1.26 -5.07 119.66 113.22 1wgd s GLN 74 Ca -0.07 1.15 0.01 0.00 0.05 0.00 0.00 55.36 56.50 1wgd s GLN 74 Cb 0.03 0.39 0.28 0.00 1.10 0.00 0.00 33.01 34.81 1wgd s GLN 74 CO 0.25 -0.20 1.21 0.39 -0.55 0.00 0.00 175.29 176.39 1wgd n GLU 75 N 5.03 0.29 -1.30 1.67 1.02 -1.26 -5.15 120.64 120.95 1wgd n GLU 75 Ca -0.14 -0.94 0.15 0.00 -0.02 0.00 0.00 57.16 56.21 1wgd n GLU 75 Cb 0.52 -0.46 -0.06 0.00 -0.02 0.00 0.00 31.44 31.42 1wgd n GLU 75 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1wgd n LYS 76 N 1.23 -2.65 -0.78 3.49 3.00 -1.26 -4.80 118.16 116.40 1wgd n LYS 76 Ca 0.01 2.02 -0.34 0.00 -0.00 0.00 0.00 58.31 60.00 1wgd n LYS 76 Cb 0.71 -3.24 0.13 0.00 0.00 0.00 0.00 35.03 32.62 1wgd n LYS 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wgd n ARG 77 N -3.96 -1.11 -4.69 1.64 3.00 -1.26 -4.99 116.66 105.28 1wgd n ARG 77 Ca -0.04 -0.31 -0.32 0.00 -0.01 0.00 0.00 57.85 57.17 1wgd n ARG 77 Cb 0.64 -1.46 -0.12 0.00 0.00 0.00 0.00 32.46 31.52 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 -2.15 2.71 -0.25 -1.55 3.76 -0.97 -5.05 115.29 111.79 1wgd s HIS 78 Ca 0.49 -0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 55.20 1wgd s HIS 78 Cb -0.04 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 32.08 1wgd s HIS 78 CO 0.66 0.26 0.00 0.08 -0.85 0.00 0.00 174.74 174.89 1wgd s VAL 79 N -0.87 3.56 0.47 -0.90 1.01 -1.26 0.05 120.40 122.45 1wgd s VAL 79 Ca 0.14 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.58 1wgd s VAL 79 Cb -0.11 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1wgd s VAL 79 CO 0.04 0.27 0.36 -0.76 0.00 0.00 0.00 175.10 175.01 1wgd s LEU 80 N 1.47 3.05 -0.30 3.92 2.01 0.51 -4.68 118.68 124.67 1wgd s LEU 80 Ca 0.04 -1.02 -0.03 0.00 0.01 0.00 0.00 54.13 53.13 1wgd s LEU 80 Cb -0.16 -1.57 0.11 0.00 0.01 0.00 0.00 46.19 44.57 1wgd s LEU 80 CO -0.01 -0.83 0.14 -1.00 1.01 0.00 0.00 176.35 175.66 1wgd s HIS 81 N -2.62 0.44 -0.60 0.29 3.76 0.53 0.62 115.29 117.70 1wgd s HIS 81 Ca 0.41 -1.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.08 1wgd s HIS 81 Cb -0.01 -0.94 0.06 0.00 1.11 0.00 0.00 32.58 32.80 1wgd s HIS 81 CO 0.24 -0.83 0.89 -1.17 -0.85 0.00 0.00 174.74 173.02 1wgd s LEU 82 N 1.94 4.47 -0.05 0.89 2.96 -1.14 -0.33 118.68 127.42 1wgd s LEU 82 Ca 0.10 -0.85 -0.15 0.00 -0.22 0.00 0.00 54.13 53.01 1wgd s LEU 82 Cb -0.17 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1wgd s LEU 82 CO -0.32 -1.29 0.41 -0.69 -1.32 0.00 0.00 176.35 173.15 1wgd s VAL 83 N 3.73 5.10 0.11 1.68 1.01 0.14 -4.77 120.40 127.41 1wgd s VAL 83 Ca 0.22 0.83 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 1wgd s VAL 83 Cb -0.17 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1wgd s VAL 83 CO 0.12 0.49 0.62 0.00 0.00 0.00 0.00 175.10 176.34 1wgd n ASN 85 N 1.55 0.52 -4.56 0.00 5.15 -1.26 -4.96 115.26 111.70 1wgd n ASN 85 Ca -0.08 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.69 1wgd n ASN 85 Cb 0.50 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.69 1wgd n ASN 85 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1wgd s VAL 86 N 1.97 3.18 1.15 3.44 -7.23 -1.26 -4.92 120.40 116.74 1wgd s VAL 86 Ca 0.00 -0.13 -0.17 0.00 -1.81 0.00 0.00 61.98 59.87 1wgd s VAL 86 Cb 0.00 -3.41 0.24 0.00 0.56 0.00 0.00 36.38 33.77 1wgd s VAL 86 CO 0.00 -0.39 0.51 0.29 -0.31 0.00 0.00 175.10 175.20 1wgd n LYS 87 N 8.86 -3.04 -3.08 4.82 4.01 -1.26 -5.02 118.16 123.45 1wgd n LYS 87 Ca 0.43 -0.90 -0.02 0.00 -0.51 0.00 0.00 58.31 57.31 1wgd n LYS 87 Cb 0.45 -1.63 -0.01 0.00 -0.51 0.00 0.00 35.03 33.33 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1wgd s SER 88 N -2.31 -1.33 0.26 4.39 0.15 -1.26 -5.11 113.70 108.49 1wgd s SER 88 Ca 0.47 -1.16 0.09 0.00 0.70 0.00 0.00 55.95 56.04 1wgd s SER 88 Cb -0.09 1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 66.01 1wgd s SER 88 CO 0.42 -0.14 -0.13 -0.83 1.20 0.00 0.00 173.24 173.76 1wgd s GLY 89 N 1.49 1.74 -0.07 9.45 0.00 -1.26 -5.02 107.32 113.64 1wgd s GLY 89 Ca 0.21 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.90 1wgd s GLY 89 CO -0.06 -1.87 0.73 -0.56 0.00 0.00 0.00 173.10 171.34 1wgd h PRO 90 N 2.35 -0.15 -2.29 2.90 0.13 -2.02 -3.47 132.00 129.44 1wgd h PRO 90 Ca -0.40 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 1wgd h PRO 90 Cb 1.24 0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.16 1wgd h PRO 90 CO 0.64 0.31 -0.19 -1.12 -0.23 0.00 0.00 178.00 177.41 1wgd s SER 91 N -5.60 -0.71 0.00 1.44 0.01 -1.26 -4.95 113.70 102.63 1wgd s SER 91 Ca -0.12 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.38 1wgd s SER 91 Cb -0.00 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.65 1wgd s SER 91 CO 0.44 -0.22 0.00 -0.24 0.41 0.00 0.00 173.24 173.63 1wgd n SER 92 N 4.82 0.00 0.00 2.44 2.88 -1.26 -5.27 113.62 117.23 1wgd n SER 92 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wgd n SER 92 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42