#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgd s SER 2 N 0.00 4.86 -0.30 1.61 0.01 -1.26 -5.11 113.70 113.51 1wgd s SER 2 Ca 0.00 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 1wgd s SER 2 Cb 0.00 -1.06 0.12 0.00 0.21 0.00 0.00 66.02 65.29 1wgd s SER 2 CO 0.00 0.06 0.20 -0.44 0.41 0.00 0.00 173.24 173.47 1wgd s SER 3 N -3.17 2.79 0.00 2.44 0.01 -1.26 -5.08 113.70 109.43 1wgd s SER 3 Ca 0.29 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1wgd s SER 3 Cb -0.09 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1wgd s SER 3 CO 0.20 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1wgd n GLY 4 N 5.01 4.00 2.98 3.44 0.00 -1.26 -5.08 105.19 114.28 1wgd n GLY 4 Ca -0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -7.25 0.00 1.61 7.64 -1.26 -5.03 113.62 109.34 1wgd n SER 5 Ca 0.00 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1wgd n SER 5 Cb 0.00 -3.32 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 1wgd n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgd n SER 6 N 1.00 0.00 -3.51 6.43 2.88 -1.26 -5.19 113.62 113.98 1wgd n SER 6 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1wgd n SER 6 Cb 0.27 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.69 1wgd n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wgd s GLY 7 N 0.00 1.04 0.15 0.46 0.00 -1.26 -4.76 107.32 102.95 1wgd s GLY 7 Ca 0.00 -1.23 0.06 0.00 0.00 0.00 0.00 44.72 43.55 1wgd s GLY 7 CO 0.00 -0.82 0.06 -1.34 0.00 0.00 0.00 173.10 171.01 1wgd s VAL 8 N -3.35 4.16 -0.23 1.40 -7.23 -1.25 -4.84 120.40 109.06 1wgd s VAL 8 Ca 0.27 -1.15 -0.21 0.00 -1.81 0.00 0.00 61.98 59.07 1wgd s VAL 8 Cb -0.01 -3.08 -0.02 0.00 0.56 0.00 0.00 36.38 33.84 1wgd s VAL 8 CO 0.15 -0.05 0.67 -0.89 -0.31 0.00 0.00 175.10 174.67 1wgd s THR 9 N -1.64 4.97 -0.24 5.32 2.01 -1.26 0.18 115.64 124.98 1wgd s THR 9 Ca 0.29 1.24 -0.05 0.00 0.31 0.00 0.00 61.69 63.47 1wgd s THR 9 Cb -0.10 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1wgd s THR 9 CO 0.21 0.04 0.02 -0.76 -0.69 0.00 0.00 174.62 173.44 1wgd s LEU 10 N 2.31 3.24 -0.62 4.42 1.43 0.49 0.03 118.68 129.98 1wgd s LEU 10 Ca 0.29 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 1wgd s LEU 10 Cb -0.16 -1.82 0.07 0.00 0.03 0.00 0.00 46.19 44.31 1wgd s LEU 10 CO 0.09 -0.06 0.88 -0.76 0.23 0.00 0.00 176.35 176.74 1wgd s LEU 11 N 1.52 4.61 -0.66 1.79 1.43 0.58 -1.65 118.68 126.29 1wgd s LEU 11 Ca 0.05 -1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 51.87 1wgd s LEU 11 Cb -0.15 -2.44 0.02 0.00 0.03 0.00 0.00 46.19 43.65 1wgd s LEU 11 CO -0.00 -1.31 1.34 -0.69 0.23 0.00 0.00 176.35 175.92 1wgd s VAL 12 N 3.66 3.76 0.48 -1.59 1.01 0.18 0.19 120.40 128.10 1wgd s VAL 12 Ca 0.20 0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 1wgd s VAL 12 Cb -0.18 -4.71 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1wgd s VAL 12 CO 0.10 -1.55 0.71 -0.54 0.00 0.00 0.00 175.10 173.83 1wgd s LYS 13 N 5.64 2.97 -0.36 2.72 1.02 0.22 -2.72 119.74 129.23 1wgd s LYS 13 Ca 0.43 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1wgd s LYS 13 Cb -0.09 -2.51 0.11 0.00 -0.52 0.00 0.00 37.83 34.82 1wgd s LYS 13 CO 0.19 -0.39 0.15 -1.12 -0.92 0.00 0.00 175.35 173.27 1wgd s SER 14 N -4.26 3.92 -1.12 2.83 0.01 -1.26 -2.52 113.70 111.30 1wgd s SER 14 Ca 0.50 -2.08 -0.19 0.00 1.31 0.00 0.00 55.95 55.49 1wgd s SER 14 Cb -0.10 -0.98 -0.06 0.00 0.21 0.00 0.00 66.02 65.09 1wgd s SER 14 CO 0.39 -0.35 2.03 -0.81 0.41 0.00 0.00 173.24 174.90 1wgd n PRO 15 N 4.27 2.18 0.00 12.44 -0.04 -1.26 -1.10 135.00 151.48 1wgd n PRO 15 Ca 0.03 -2.32 0.00 0.00 -0.04 0.00 0.00 63.50 61.17 1wgd n PRO 15 Cb 0.39 -3.18 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 7.65 0.00 0.01 3.54 2.85 -1.26 -4.94 115.26 123.10 1wgd n ASN 16 Ca 0.50 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.92 1wgd n ASN 16 Cb 0.41 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.32 1wgd n ASN 16 CO 0.00 0.00 0.00 0.06 -2.11 0.00 0.00 177.26 175.21 1wgd h GLN 17 N 0.00 0.00 -6.97 1.20 3.07 -2.00 -3.48 115.11 106.93 1wgd h GLN 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 1wgd h GLN 17 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 1wgd h GLN 17 CO 0.00 0.44 -0.96 0.54 0.09 0.00 0.00 178.83 178.94 1wgd n ARG 18 N -3.01 -0.39 -3.74 0.06 1.74 -0.26 -4.93 116.66 106.13 1wgd n ARG 18 Ca -0.13 0.09 -0.25 0.00 -0.77 0.00 0.00 57.85 56.80 1wgd n ARG 18 Cb 0.96 -2.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.05 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 -3.54 0.72 0.60 -1.55 3.76 -1.26 -5.06 115.29 108.95 1wgd s HIS 19 Ca 0.41 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1wgd s HIS 19 Cb -0.23 -0.86 0.00 0.00 1.11 0.00 0.00 32.58 32.61 1wgd s HIS 19 CO 0.90 -0.44 0.00 0.54 -0.85 0.00 0.00 174.74 174.89 1wgd n ARG 20 N 5.13 -4.32 -4.23 1.40 3.00 -1.26 -4.97 116.66 111.41 1wgd n ARG 20 Ca -0.08 3.34 -0.28 0.00 -0.01 0.00 0.00 57.85 60.82 1wgd n ARG 20 Cb 0.49 -4.12 -0.09 0.00 0.00 0.00 0.00 32.46 28.74 1wgd n ARG 20 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1wgd s ASP 21 N -5.23 4.51 -0.26 0.55 1.47 -1.26 -4.80 116.67 111.65 1wgd s ASP 21 Ca 0.00 -0.43 0.03 0.00 1.18 0.00 0.00 52.55 53.32 1wgd s ASP 21 Cb 0.00 -0.88 0.06 0.00 -0.34 0.00 0.00 42.92 41.76 1wgd s ASP 21 CO 0.00 0.13 -0.09 -0.22 0.68 0.00 0.00 175.17 175.67 1wgd s LEU 22 N -2.63 3.33 -0.34 2.11 2.96 -1.10 -4.98 118.68 118.03 1wgd s LEU 22 Ca 0.25 -1.40 -0.11 0.00 -0.22 0.00 0.00 54.13 52.65 1wgd s LEU 22 Cb -0.10 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 1wgd s LEU 22 CO 0.16 -0.21 0.20 -1.61 -1.32 0.00 0.00 176.35 173.56 1wgd s GLU 23 N 1.16 3.25 0.38 1.98 2.02 -1.26 0.51 118.70 126.74 1wgd s GLU 23 Ca -0.07 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.17 1wgd s GLU 23 Cb -0.20 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.28 1wgd s GLU 23 CO -0.06 -0.50 0.04 -0.48 0.02 0.00 0.00 175.26 174.28 1wgd s LEU 24 N 1.63 2.42 0.55 1.80 2.34 -0.66 -4.91 118.68 121.86 1wgd s LEU 24 Ca 0.04 -1.42 -0.19 0.00 0.06 0.00 0.00 54.13 52.63 1wgd s LEU 24 Cb -0.18 -0.57 -0.05 0.00 -0.56 0.00 0.00 46.19 44.83 1wgd s LEU 24 CO 0.08 -0.60 1.10 -0.55 -1.06 0.00 0.00 176.35 175.32 1wgd s SER 25 N -3.61 5.76 -0.33 1.48 0.15 -1.26 -0.38 113.70 115.52 1wgd s SER 25 Ca 0.33 2.08 0.17 0.00 0.70 0.00 0.00 55.95 59.23 1wgd s SER 25 Cb 0.08 -2.57 0.45 0.00 -1.71 0.00 0.00 66.02 62.27 1wgd s SER 25 CO 0.15 -1.19 0.93 0.61 1.20 0.00 0.00 173.24 174.94 1wgd n GLY 26 N -0.10 1.77 3.41 9.45 0.00 0.47 -4.71 105.19 115.47 1wgd n GLY 26 Ca 0.11 -1.34 -0.56 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.03 -0.20 0.16 1.61 2.03 -1.26 -3.80 116.55 115.06 1wgd n ASP 27 Ca 0.11 1.13 0.10 0.00 0.52 0.00 0.00 54.79 56.65 1wgd n ASP 27 Cb 0.80 -0.90 0.55 0.00 -0.72 0.00 0.00 41.12 40.85 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 1.39 0.13 -0.00 -0.67 1.74 -1.26 -0.12 116.66 117.86 1wgd n ARG 28 Ca 0.19 0.63 -0.04 0.00 -0.77 0.00 0.00 57.85 57.86 1wgd n ARG 28 Cb 0.10 -1.99 -0.12 0.00 -1.02 0.00 0.00 32.46 29.44 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 -1.29 -1.09 3.15 -0.13 0.00 -1.26 -0.67 105.19 103.89 1wgd n GLY 29 Ca -0.01 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.94 -1.56 -4.63 1.61 7.02 0.83 -4.78 117.44 112.98 1wgd n TRP 30 Ca -0.15 0.37 -0.23 0.00 -1.02 0.00 0.00 57.50 56.47 1wgd n TRP 30 Cb 0.95 -1.49 -0.16 0.00 -2.42 0.00 0.00 31.31 28.20 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 -1.44 1.70 0.09 -0.99 0.01 -1.26 -3.56 113.70 108.25 1wgd s SER 31 Ca 0.47 -0.27 -0.18 0.00 1.31 0.00 0.00 55.95 57.27 1wgd s SER 31 Cb -0.03 -0.40 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 1wgd s SER 31 CO 0.67 0.13 1.32 0.58 0.41 0.00 0.00 173.24 176.34 1wgd h VAL 32 N 5.19 0.00 -0.89 3.43 2.07 -1.78 1.69 116.25 125.96 1wgd h VAL 32 Ca -0.33 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.42 1wgd h VAL 32 Cb 1.17 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.81 1wgd h VAL 32 CO 0.48 0.00 0.36 1.23 0.02 0.00 0.00 177.57 179.66 1wgd h GLY 33 N -0.01 1.51 0.66 2.17 0.00 -1.80 0.69 103.07 106.30 1wgd h GLY 33 Ca 0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1wgd h GLY 33 CO -0.55 -0.31 -0.32 0.84 0.00 0.00 0.00 176.54 176.21 1wgd h HIS 34 N 0.33 -0.82 -0.94 5.60 6.17 0.01 -2.98 115.15 122.53 1wgd h HIS 34 Ca 0.57 -0.02 0.08 0.00 0.71 0.00 0.00 60.37 61.71 1wgd h HIS 34 Cb 1.11 0.27 -0.11 0.00 2.52 0.00 0.00 27.41 31.20 1wgd h HIS 34 CO -0.17 -0.51 -0.55 -0.11 0.71 0.00 0.00 177.93 177.30 1wgd n LEU 35 N -5.32 -0.99 -0.14 0.26 7.94 0.51 -0.06 117.00 119.20 1wgd n LEU 35 Ca -0.11 1.73 -0.04 0.00 -1.11 0.00 0.00 56.01 56.48 1wgd n LEU 35 Cb 0.35 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.02 1wgd n LEU 35 CO 0.26 -1.39 0.45 0.29 -1.11 0.00 0.00 177.39 175.89 1wgd n LYS 36 N -5.11 -0.15 -0.16 1.96 5.02 0.14 0.11 118.16 119.97 1wgd n LYS 36 Ca 0.02 1.08 -0.06 0.00 -2.02 0.00 0.00 58.31 57.34 1wgd n LYS 36 Cb 0.24 -1.61 0.01 0.00 -0.02 0.00 0.00 35.03 33.65 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 -0.42 -0.02 -0.76 7.82 0.00 -0.83 0.34 119.26 125.40 1wgd h ALA 37 Ca 0.05 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.28 1wgd h ALA 37 Cb 0.14 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1wgd h ALA 37 CO -0.31 -0.65 0.18 1.25 0.00 0.00 0.00 179.25 179.71 1wgd h HIS 38 N -0.18 0.27 0.72 0.00 -0.00 0.34 -1.30 115.15 115.01 1wgd h HIS 38 Ca 0.21 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1wgd h HIS 38 Cb 0.52 -0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.93 1wgd h HIS 38 CO -0.56 -0.11 -0.42 -0.07 -0.00 0.00 0.00 177.93 176.77 1wgd h LEU 39 N 0.25 -1.05 -1.79 0.26 3.38 0.46 -1.35 115.31 115.46 1wgd h LEU 39 Ca 0.44 0.05 0.52 0.00 0.09 0.00 0.00 57.88 58.99 1wgd h LEU 39 Cb 0.77 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1wgd h LEU 39 CO -0.54 -0.66 1.28 -0.24 0.09 0.00 0.00 178.44 178.37 1wgd n SER 40 N -5.10 0.01 -0.01 -0.43 2.88 0.03 0.22 113.62 111.23 1wgd n SER 40 Ca -0.13 0.94 -0.13 0.00 -1.33 0.00 0.00 58.87 58.22 1wgd n SER 40 Cb 0.44 -0.47 -0.10 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.04 0.00 -1.46 2.43 -0.52 -3.08 114.38 111.70 1wgd h ARG 41 Ca 0.87 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 60.04 1wgd h ARG 41 Cb 3.44 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 33.00 1wgd h ARG 41 CO -0.04 0.53 0.00 1.33 -1.51 0.00 0.00 179.97 180.29 1wgd n VAL 42 N -4.82 0.24 -3.41 0.20 0.24 0.60 -4.70 118.33 106.68 1wgd n VAL 42 Ca -0.09 0.05 -0.38 0.00 -2.04 0.00 0.00 64.34 61.88 1wgd n VAL 42 Cb 0.30 -0.62 -0.08 0.00 -1.47 0.00 0.00 33.84 31.97 1wgd n VAL 42 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1wgd s TYR 43 N -3.00 3.37 -0.69 6.34 5.04 0.51 -5.02 117.35 123.90 1wgd s TYR 43 Ca 0.12 0.59 -0.27 0.00 -2.44 0.00 0.00 57.07 55.08 1wgd s TYR 43 Cb 0.17 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.98 1wgd s TYR 43 CO 0.47 0.01 1.58 -1.25 -1.34 0.00 0.00 175.55 175.01 1wgd s PRO 44 N 1.26 2.92 0.00 4.97 0.04 -1.26 -3.04 135.00 139.89 1wgd s PRO 44 Ca 0.18 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.35 1wgd s PRO 44 Cb -0.15 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.05 1wgd s PRO 44 CO 0.08 -2.46 0.00 -0.85 0.04 0.00 0.00 177.00 173.80 1wgd n GLU 45 N 9.26 0.00 -3.27 4.56 0.28 -1.26 -4.99 120.64 125.22 1wgd n GLU 45 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 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 -1.94 0.00 3.44 3.00 -1.17 -5.02 116.66 114.98 1wgd n ARG 46 Ca 0.00 0.94 0.00 0.00 -0.01 0.00 0.00 57.85 58.78 1wgd n ARG 46 Cb 0.00 -5.57 0.00 0.00 0.00 0.00 0.00 32.46 26.89 1wgd n ARG 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1wgd n PRO 47 N -3.04 0.66 -4.65 5.56 -0.04 -1.26 -5.08 135.00 127.15 1wgd n PRO 47 Ca -0.06 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 1wgd n PRO 47 Cb 0.59 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.68 1.95 0.28 0.54 0.52 -1.26 -4.92 118.95 115.39 1wgd s ARG 48 Ca 0.00 -1.05 0.14 0.00 -0.52 0.00 0.00 55.73 54.30 1wgd s ARG 48 Cb 0.00 -2.12 0.32 0.00 0.52 0.00 0.00 34.95 33.67 1wgd s ARG 48 CO 0.00 0.52 1.57 -1.00 0.02 0.00 0.00 175.30 176.41 1wgd h PRO 49 N 4.45 0.00 0.00 3.54 0.13 -1.91 0.31 132.00 138.52 1wgd h PRO 49 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 1wgd h PRO 49 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1wgd h PRO 49 CO 0.46 0.58 -0.42 0.93 -0.23 0.00 0.00 178.00 179.32 1wgd h GLU 50 N 0.00 0.00 0.00 0.86 4.39 -1.95 -3.31 114.58 114.57 1wgd h GLU 50 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 1wgd h GLU 50 Cb 1.19 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.81 1wgd h GLU 50 CO 0.08 0.42 -1.42 -0.25 -1.16 0.00 0.00 179.01 176.68 1wgd n ASP 51 N -3.42 1.88 -4.05 1.42 9.92 -1.13 -4.88 116.55 116.29 1wgd n ASP 51 Ca 0.00 0.43 -0.52 0.00 -0.53 0.00 0.00 54.79 54.18 1wgd n ASP 51 Cb 0.58 -0.92 -0.12 0.00 -0.64 0.00 0.00 41.12 40.03 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 -4.42 0.00 -3.05 -1.24 6.02 0.11 -4.66 117.38 110.13 1wgd n GLN 52 Ca -0.33 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.24 1wgd n GLN 52 Cb 0.67 -1.41 -0.06 0.00 1.02 0.00 0.00 30.24 30.46 1wgd n GLN 52 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1wgd s ARG 53 N 6.37 3.81 -0.18 -1.09 3.52 -0.37 -4.92 118.95 126.10 1wgd s ARG 53 Ca 1.17 0.27 -0.16 0.00 -0.13 0.00 0.00 55.73 56.88 1wgd s ARG 53 Cb -1.35 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 28.23 1wgd s ARG 53 CO 0.58 -0.70 0.39 -0.51 -0.81 0.00 0.00 175.30 174.25 1wgd s LEU 54 N 2.80 4.20 -0.02 -0.88 1.02 -1.26 -0.17 118.68 124.36 1wgd s LEU 54 Ca 0.27 0.57 0.03 0.00 0.02 0.00 0.00 54.13 55.02 1wgd s LEU 54 Cb -0.14 -2.52 -0.00 0.00 0.02 0.00 0.00 46.19 43.55 1wgd s LEU 54 CO 0.14 -0.02 -0.10 -0.63 0.02 0.00 0.00 176.35 175.76 1wgd s ILE 55 N 0.98 0.80 -0.42 -0.59 1.09 -0.50 -0.15 121.20 122.41 1wgd s ILE 55 Ca 0.20 -0.39 0.02 0.00 -1.10 0.00 0.00 60.65 59.38 1wgd s ILE 55 Cb -0.14 -0.70 0.12 0.00 -1.06 0.00 0.00 42.46 40.69 1wgd s ILE 55 CO 0.07 0.24 0.19 -0.47 -0.10 0.00 0.00 174.94 174.88 1wgd s TYR 56 N 0.04 2.42 -0.62 3.97 5.04 0.11 0.92 117.35 129.22 1wgd s TYR 56 Ca -0.01 -2.54 0.00 0.00 -2.44 0.00 0.00 57.07 52.08 1wgd s TYR 56 Cb -0.07 -2.19 0.00 0.00 0.35 0.00 0.00 41.96 40.05 1wgd s TYR 56 CO 0.00 -0.81 0.00 0.45 -1.34 0.00 0.00 175.55 173.85 1wgd n SER 57 N 3.76 -2.86 0.00 4.32 2.88 -1.26 -2.82 113.62 117.64 1wgd n SER 57 Ca 0.05 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1wgd n SER 57 Cb 0.36 -1.96 0.00 0.00 -0.75 0.00 0.00 64.21 61.86 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 -1.22 2.97 3.64 0.46 0.00 -1.26 -5.02 105.19 104.76 1wgd n GLY 58 Ca -0.08 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 3.95 0.52 1.61 1.02 -1.13 -4.98 119.74 120.72 1wgd s LYS 59 Ca 0.00 1.43 -0.20 0.00 0.02 0.00 0.00 55.97 57.22 1wgd s LYS 59 Cb 0.00 -3.90 -0.06 0.00 -0.52 0.00 0.00 37.83 33.35 1wgd s LYS 59 CO 0.00 -1.08 1.14 -1.17 -0.92 0.00 0.00 175.35 173.32 1wgd s LEU 60 N 4.40 3.83 0.25 3.17 2.96 -1.26 0.05 118.68 132.08 1wgd s LEU 60 Ca 0.60 2.21 0.05 0.00 -0.22 0.00 0.00 54.13 56.78 1wgd s LEU 60 Cb -0.20 -4.48 -0.03 0.00 0.50 0.00 0.00 46.19 41.98 1wgd s LEU 60 CO 0.23 -1.13 0.35 -0.76 -1.32 0.00 0.00 176.35 173.73 1wgd s LEU 61 N -3.57 4.24 0.40 -0.68 1.43 0.79 -4.86 118.68 116.43 1wgd s LEU 61 Ca 0.70 0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.87 1wgd s LEU 61 Cb -0.25 -2.80 -0.07 0.00 0.03 0.00 0.00 46.19 43.10 1wgd s LEU 61 CO 0.29 -0.10 0.02 -0.76 0.23 0.00 0.00 176.35 176.04 1wgd s LEU 62 N -3.98 2.63 0.08 1.79 1.43 -1.26 -4.73 118.68 114.63 1wgd s LEU 62 Ca 0.35 -1.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.02 1wgd s LEU 62 Cb -0.09 -0.74 -0.27 0.00 0.03 0.00 0.00 46.19 45.13 1wgd s LEU 62 CO 0.29 -0.54 1.16 -2.24 0.23 0.00 0.00 176.35 175.24 1wgd h ASP 63 N 1.81 0.35 -0.45 2.29 2.03 -1.99 -3.30 116.42 117.15 1wgd h ASP 63 Ca -0.43 -0.37 -0.31 0.00 -0.73 0.00 0.00 57.03 55.19 1wgd h ASP 63 Cb 1.25 -0.11 -0.11 0.00 -0.83 0.00 0.00 39.33 39.53 1wgd h ASP 63 CO 0.77 1.29 -0.01 0.00 -1.03 0.00 0.00 179.24 180.26 1wgd n HIS 64 N -3.49 0.72 -3.82 4.15 1.44 -1.26 -4.43 115.22 108.52 1wgd n HIS 64 Ca -0.07 -1.67 -0.10 0.00 -2.01 0.00 0.00 57.72 53.87 1wgd n HIS 64 Cb 1.01 -1.41 -0.08 0.00 0.12 0.00 0.00 29.99 29.64 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 -0.30 0.79 0.11 -1.40 -0.21 -1.24 -5.14 119.66 112.27 1wgd s GLN 65 Ca 0.58 -0.72 0.10 0.00 0.02 0.00 0.00 55.36 55.33 1wgd s GLN 65 Cb 0.32 0.33 -0.04 0.00 1.00 0.00 0.00 33.01 34.62 1wgd s GLN 65 CO -0.09 -0.25 -0.22 0.00 -2.12 0.00 0.00 175.29 172.62 1wgd h LEU 67 N 3.91 -0.35 -0.99 0.00 3.38 -1.61 0.29 115.31 119.94 1wgd h LEU 67 Ca -0.50 0.06 0.33 0.00 0.09 0.00 0.00 57.88 57.86 1wgd h LEU 67 Cb 1.17 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.90 1wgd h LEU 67 CO 0.44 -0.16 0.23 0.08 0.09 0.00 0.00 178.44 179.12 1wgd h ARG 68 N -0.16 0.01 0.11 1.13 0.11 -1.16 1.35 114.38 115.77 1wgd h ARG 68 Ca 0.07 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 1wgd h ARG 68 Cb 0.25 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.33 1wgd h ARG 68 CO -0.17 0.01 -0.05 0.22 0.10 0.00 0.00 179.97 180.08 1wgd h ASP 69 N 0.01 -0.12 -0.63 0.08 1.82 -1.55 -3.36 116.42 112.67 1wgd h ASP 69 Ca 0.70 -0.07 0.06 0.00 -0.39 0.00 0.00 57.03 57.33 1wgd h ASP 69 Cb 1.63 0.03 -0.09 0.00 0.68 0.00 0.00 39.33 41.58 1wgd h ASP 69 CO -0.86 0.39 -0.53 -0.07 -1.61 0.00 0.00 179.24 176.56 1wgd h LEU 70 N -1.03 -1.87 -9.84 2.28 3.38 0.13 -3.38 115.31 104.98 1wgd h LEU 70 Ca -0.01 0.26 -0.50 0.00 0.09 0.00 0.00 57.88 57.72 1wgd h LEU 70 Cb 0.18 0.79 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1wgd h LEU 70 CO 0.02 -0.30 0.45 -0.76 0.09 0.00 0.00 178.44 177.94 1wgd s LEU 71 N -10.09 4.45 0.00 1.67 1.43 0.45 -5.04 118.68 111.55 1wgd s LEU 71 Ca -0.12 2.18 -0.03 0.00 -1.03 0.00 0.00 54.13 55.13 1wgd s LEU 71 Cb 0.09 -3.77 0.04 0.00 0.03 0.00 0.00 46.19 42.57 1wgd s LEU 71 CO 0.57 -0.21 0.16 -0.81 0.23 0.00 0.00 176.35 176.30 1wgd n PRO 72 N 0.89 -0.73 -0.47 1.29 -0.04 -1.26 -4.66 135.00 130.02 1wgd n PRO 72 Ca 0.00 -0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1wgd n PRO 72 Cb 0.46 -0.20 0.30 0.00 -0.04 0.00 0.00 33.50 34.02 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 -1.66 3.31 -4.12 0.54 2.85 -1.26 -4.96 118.16 112.86 1wgd n LYS 73 Ca 0.02 -2.68 -0.25 0.00 -1.05 0.00 0.00 58.31 54.35 1wgd n LYS 73 Cb 0.08 -1.71 -0.06 0.00 -0.65 0.00 0.00 35.03 32.69 1wgd n LYS 73 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1wgd n GLN 74 N 0.90 0.94 -1.53 -1.58 6.02 -1.26 -5.08 117.38 115.79 1wgd n GLN 74 Ca 0.22 -2.96 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 1wgd n GLN 74 Cb 0.75 0.94 -0.00 0.00 1.02 0.00 0.00 30.24 32.96 1wgd n GLN 74 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1wgd n GLU 75 N -0.97 -4.02 -0.03 -1.09 -0.58 -1.26 -4.92 120.64 107.77 1wgd n GLU 75 Ca -0.15 3.12 -0.02 0.00 -0.42 0.00 0.00 57.16 59.70 1wgd n GLU 75 Cb 0.52 -3.91 -0.01 0.00 -0.57 0.00 0.00 31.44 27.47 1wgd n GLU 75 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1wgd h LYS 76 N 0.15 0.00 -6.81 3.49 3.64 -1.99 -3.48 116.57 111.57 1wgd h LYS 76 Ca -0.00 0.00 -0.48 0.00 -1.27 0.00 0.00 60.65 58.90 1wgd h LYS 76 Cb 0.95 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1wgd h LYS 76 CO 0.00 0.00 0.01 1.03 -2.27 0.00 0.00 179.45 178.22 1wgd s ARG 77 N -1.46 3.37 -0.03 1.90 0.52 -1.26 -4.54 118.95 117.46 1wgd s ARG 77 Ca -0.05 -0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.12 1wgd s ARG 77 Cb 0.01 -2.46 -0.00 0.00 0.52 0.00 0.00 34.95 33.01 1wgd s ARG 77 CO 0.08 -0.19 -0.14 -1.01 0.02 0.00 0.00 175.30 174.06 1wgd s HIS 78 N -2.64 1.35 -0.32 -0.53 3.76 0.10 -4.99 115.29 112.02 1wgd s HIS 78 Ca 0.46 -0.34 -0.07 0.00 -0.15 0.00 0.00 55.06 54.96 1wgd s HIS 78 Cb -0.10 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.70 1wgd s HIS 78 CO 0.42 -0.11 0.11 0.08 -0.85 0.00 0.00 174.74 174.39 1wgd s VAL 79 N 0.00 4.02 0.32 -0.90 1.01 -1.26 0.21 120.40 123.80 1wgd s VAL 79 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.18 1wgd s VAL 79 Cb -0.09 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1wgd s VAL 79 CO 0.01 -0.06 0.20 -0.76 0.00 0.00 0.00 175.10 174.49 1wgd s LEU 80 N 1.48 3.50 -0.35 3.92 2.01 0.51 -4.13 118.68 125.62 1wgd s LEU 80 Ca 0.01 -0.55 0.01 0.00 0.01 0.00 0.00 54.13 53.61 1wgd s LEU 80 Cb -0.18 -2.05 0.11 0.00 0.01 0.00 0.00 46.19 44.08 1wgd s LEU 80 CO 0.03 -0.25 0.13 -1.00 1.01 0.00 0.00 176.35 176.27 1wgd s HIS 81 N -2.31 2.06 -0.55 0.29 3.76 0.26 0.71 115.29 119.50 1wgd s HIS 81 Ca 0.38 -2.08 -0.21 0.00 -0.15 0.00 0.00 55.06 52.99 1wgd s HIS 81 Cb -0.05 -1.93 0.06 0.00 1.11 0.00 0.00 32.58 31.77 1wgd s HIS 81 CO 0.24 -0.86 0.77 -1.17 -0.85 0.00 0.00 174.74 172.87 1wgd s LEU 82 N 1.21 4.70 0.02 0.89 2.96 -1.05 -1.41 118.68 126.00 1wgd s LEU 82 Ca 0.12 -0.84 -0.24 0.00 -0.22 0.00 0.00 54.13 52.95 1wgd s LEU 82 Cb -0.19 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1wgd s LEU 82 CO -0.17 -1.10 0.73 -0.69 -1.32 0.00 0.00 176.35 173.81 1wgd s VAL 83 N 3.22 4.80 -0.06 1.68 1.01 0.76 -4.74 120.40 127.06 1wgd s VAL 83 Ca 0.20 1.55 -0.14 0.00 0.00 0.00 0.00 61.98 63.59 1wgd s VAL 83 Cb -0.18 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1wgd s VAL 83 CO 0.13 0.36 0.35 0.00 0.00 0.00 0.00 175.10 175.93 1wgd n ASN 85 N 2.36 1.00 -4.38 0.00 5.15 -1.26 -5.00 115.26 113.12 1wgd n ASN 85 Ca -0.14 -2.25 -0.36 0.00 -0.60 0.00 0.00 54.58 51.23 1wgd n ASN 85 Cb 0.53 -0.32 -0.16 0.00 -0.53 0.00 0.00 39.78 39.29 1wgd n ASN 85 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1wgd n VAL 86 N 0.21 0.00 -5.13 3.44 3.14 -1.26 -4.84 118.33 113.88 1wgd n VAL 86 Ca 0.07 -0.10 -0.32 0.00 -2.96 0.00 0.00 64.34 61.03 1wgd n VAL 86 Cb 1.03 -0.38 -0.15 0.00 -1.06 0.00 0.00 33.84 33.28 1wgd n VAL 86 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1wgd s LYS 87 N 8.35 2.47 -0.15 1.45 2.20 -1.26 -5.11 119.74 127.69 1wgd s LYS 87 Ca 1.32 -0.83 -0.14 0.00 -0.36 0.00 0.00 55.97 55.95 1wgd s LYS 87 Cb -1.14 -2.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.91 1wgd s LYS 87 CO 0.49 0.49 0.32 0.45 -0.36 0.00 0.00 175.35 176.74 1wgd s SER 88 N -0.42 6.48 0.00 1.43 0.15 -1.26 -5.03 113.70 115.05 1wgd s SER 88 Ca 0.04 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1wgd s SER 88 Cb -0.12 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 1wgd s SER 88 CO 0.02 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1wgd n GLY 89 N 3.26 4.85 3.65 9.45 0.00 -1.26 -5.11 105.19 120.03 1wgd n GLY 89 Ca -0.12 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 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 3.12 4.11 0.03 1.61 0.04 -1.26 -4.40 135.00 138.25 1wgd s PRO 90 Ca 0.00 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1wgd s PRO 90 Cb 0.00 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.72 1wgd s PRO 90 CO 0.00 -0.86 0.00 0.45 0.04 0.00 0.00 177.00 176.63 1wgd n SER 91 N 7.02 -0.28 -1.16 6.66 2.88 -1.26 -5.16 113.62 122.32 1wgd n SER 91 Ca 0.14 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1wgd n SER 91 Cb 0.45 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 1wgd n SER 91 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgd n SER 92 N -2.81 -6.33 0.00 -3.46 7.64 -1.26 -5.33 113.62 102.08 1wgd n SER 92 Ca 0.00 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1wgd n SER 92 Cb 0.00 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.76 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64