#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 0.63 -4.65 1.61 7.64 -1.26 -5.01 113.62 112.59 1wgd n SER 2 Ca 0.00 0.14 -0.43 0.00 1.01 0.00 0.00 58.87 59.59 1wgd n SER 2 Cb 0.00 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.02 1wgd n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wgd s SER 3 N -5.58 7.00 0.00 6.43 1.04 -1.26 -5.00 113.70 116.33 1wgd s SER 3 Ca 0.00 1.21 0.00 0.00 0.48 0.00 0.00 55.95 57.64 1wgd s SER 3 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wgd s SER 3 CO 0.00 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1wgd n GLY 4 N 3.58 1.57 2.34 7.32 0.00 -1.26 -5.04 105.19 113.70 1wgd n GLY 4 Ca 0.11 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.83 -3.75 1.61 2.88 -1.26 -5.03 113.62 106.24 1wgd n SER 5 Ca 0.00 1.02 -0.30 0.00 -1.33 0.00 0.00 58.87 58.27 1wgd n SER 5 Cb 0.00 -4.22 -0.15 0.00 -0.75 0.00 0.00 64.21 59.09 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 -0.64 3.95 0.10 -3.46 0.01 -1.26 -5.12 113.70 107.27 1wgd s SER 6 Ca -0.18 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.52 1wgd s SER 6 Cb 0.01 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.36 1wgd s SER 6 CO 0.60 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 174.46 1wgd n GLY 7 N 4.84 1.54 3.98 3.44 0.00 -1.26 -4.92 105.19 112.81 1wgd n GLY 7 Ca -0.03 -2.05 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 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 0.97 3.97 -0.34 1.61 -7.23 -1.25 -4.81 120.40 113.31 1wgd s VAL 8 Ca 0.00 -1.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.03 1wgd s VAL 8 Cb 0.00 -3.37 -0.00 0.00 0.56 0.00 0.00 36.38 33.57 1wgd s VAL 8 CO 0.00 -0.15 0.22 -0.89 -0.31 0.00 0.00 175.10 173.97 1wgd s THR 9 N -2.19 5.01 -0.32 5.32 2.01 -1.26 0.72 115.64 124.93 1wgd s THR 9 Ca 0.45 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 1wgd s THR 9 Cb -0.09 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1wgd s THR 9 CO 0.31 -0.05 0.18 -0.76 -0.69 0.00 0.00 174.62 173.61 1wgd s LEU 10 N 1.67 4.21 -0.56 4.42 1.43 0.46 -1.53 118.68 128.78 1wgd s LEU 10 Ca 0.05 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.50 1wgd s LEU 10 Cb -0.18 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.06 1wgd s LEU 10 CO 0.09 -0.19 0.75 -0.76 0.23 0.00 0.00 176.35 176.47 1wgd s LEU 11 N 1.66 4.86 -0.37 1.79 1.43 0.04 -1.66 118.68 126.43 1wgd s LEU 11 Ca 0.05 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 1wgd s LEU 11 Cb -0.17 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.61 1wgd s LEU 11 CO 0.08 -1.10 1.23 -0.69 0.23 0.00 0.00 176.35 176.10 1wgd s VAL 12 N 3.08 4.20 -0.17 -1.59 1.01 0.81 0.15 120.40 127.88 1wgd s VAL 12 Ca 0.17 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.45 1wgd s VAL 12 Cb -0.19 -4.35 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1wgd s VAL 12 CO 0.11 -0.67 -0.11 -0.54 0.00 0.00 0.00 175.10 173.89 1wgd s LYS 13 N 4.26 3.33 -0.43 2.72 1.02 0.37 -1.92 119.74 129.08 1wgd s LYS 13 Ca 0.52 -0.69 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 1wgd s LYS 13 Cb -0.13 -2.75 0.07 0.00 -0.52 0.00 0.00 37.83 34.51 1wgd s LYS 13 CO 0.25 0.01 0.30 0.45 -0.92 0.00 0.00 175.35 175.44 1wgd s SER 14 N 0.88 5.79 -0.70 2.83 0.15 -1.26 -3.37 113.70 118.02 1wgd s SER 14 Ca -0.03 -1.43 -0.06 0.00 0.70 0.00 0.00 55.95 55.13 1wgd s SER 14 Cb -0.15 -2.05 -0.13 0.00 -1.71 0.00 0.00 66.02 61.99 1wgd s SER 14 CO -0.00 -0.56 2.63 -0.81 1.20 0.00 0.00 173.24 175.70 1wgd n PRO 15 N 5.00 2.23 -0.89 5.44 -0.04 -1.26 -2.94 135.00 142.54 1wgd n PRO 15 Ca -0.11 -1.33 -0.06 0.00 -0.04 0.00 0.00 63.50 61.96 1wgd n PRO 15 Cb 0.43 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 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 3.38 -0.80 -3.41 3.54 2.85 -1.26 -5.06 115.26 114.50 1wgd n ASN 16 Ca 0.48 -1.65 -0.31 0.00 -0.11 0.00 0.00 54.58 52.99 1wgd n ASN 16 Cb 0.39 0.24 0.03 0.00 1.24 0.00 0.00 39.78 41.68 1wgd n ASN 16 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1wgd n GLN 17 N 0.00 -1.75 -0.01 1.20 7.27 -1.15 -4.95 117.38 118.00 1wgd n GLN 17 Ca -0.22 1.40 -0.04 0.00 0.07 0.00 0.00 57.00 58.21 1wgd n GLN 17 Cb 0.62 -2.19 -0.01 0.00 2.41 0.00 0.00 30.24 31.07 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1wgd n ARG 18 N 0.04 0.09 -3.73 3.69 5.12 -1.26 -5.13 116.66 115.48 1wgd n ARG 18 Ca -0.06 0.04 -0.03 0.00 -1.93 0.00 0.00 57.85 55.87 1wgd n ARG 18 Cb 0.63 -0.65 -0.01 0.00 -1.16 0.00 0.00 32.46 31.27 1wgd n ARG 18 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1wgd s HIS 19 N -2.09 -0.12 0.77 -1.55 2.46 -1.26 -5.15 115.29 108.35 1wgd s HIS 19 Ca -0.06 -0.15 -0.13 0.00 0.47 0.00 0.00 55.06 55.19 1wgd s HIS 19 Cb 0.02 0.62 0.06 0.00 -0.13 0.00 0.00 32.58 33.16 1wgd s HIS 19 CO 0.07 -0.75 1.18 1.03 -2.47 0.00 0.00 174.74 173.80 1wgd s ARG 20 N -3.17 1.91 0.07 2.88 3.00 -1.26 -4.70 118.95 117.69 1wgd s ARG 20 Ca 0.12 1.63 -0.37 0.00 0.00 0.00 0.00 55.73 57.12 1wgd s ARG 20 Cb -0.01 -1.82 -0.17 0.00 0.00 0.00 0.00 34.95 32.96 1wgd s ARG 20 CO 0.01 -1.98 1.36 -0.40 0.00 0.00 0.00 175.30 174.29 1wgd n ASP 21 N -3.14 1.68 -4.33 0.23 5.75 -1.26 -4.91 116.55 110.56 1wgd n ASP 21 Ca 0.12 1.12 -0.40 0.00 -0.01 0.00 0.00 54.79 55.62 1wgd n ASP 21 Cb 0.51 -1.19 -0.11 0.00 -1.03 0.00 0.00 41.12 39.30 1wgd n ASP 21 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1wgd s LEU 22 N 0.64 4.71 -0.28 -2.12 2.96 -0.81 -4.89 118.68 118.89 1wgd s LEU 22 Ca 0.85 -1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.49 1wgd s LEU 22 Cb -0.96 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1wgd s LEU 22 CO 0.48 -0.40 0.38 -0.70 -1.32 0.00 0.00 176.35 174.79 1wgd s GLU 23 N 1.50 3.94 0.23 1.98 -6.30 -1.25 -0.14 118.70 118.66 1wgd s GLU 23 Ca 0.01 -0.02 0.02 0.00 -2.50 0.00 0.00 54.97 52.48 1wgd s GLU 23 Cb -0.20 -3.68 -0.05 0.00 0.00 0.00 0.00 34.13 30.20 1wgd s GLU 23 CO 0.05 -0.33 0.05 -0.48 0.02 0.00 0.00 175.26 174.57 1wgd s LEU 24 N 2.09 1.89 0.43 2.70 2.34 -0.67 -4.92 118.68 122.54 1wgd s LEU 24 Ca 0.15 -1.30 -0.24 0.00 0.06 0.00 0.00 54.13 52.80 1wgd s LEU 24 Cb -0.16 -0.07 -0.08 0.00 -0.56 0.00 0.00 46.19 45.33 1wgd s LEU 24 CO 0.10 -0.64 1.19 -0.55 -1.06 0.00 0.00 176.35 175.39 1wgd s SER 25 N -3.28 6.33 -0.31 1.48 0.15 -1.26 -0.40 113.70 116.41 1wgd s SER 25 Ca 0.32 2.38 0.18 0.00 0.70 0.00 0.00 55.95 59.53 1wgd s SER 25 Cb 0.07 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.23 1wgd s SER 25 CO 0.10 -0.81 0.99 0.61 1.20 0.00 0.00 173.24 175.33 1wgd n GLY 26 N 0.57 1.76 3.06 9.45 0.00 0.22 -4.76 105.19 115.49 1wgd n GLY 26 Ca 0.05 -1.31 -0.47 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.18 -0.68 0.10 1.61 2.03 -1.26 -3.87 116.55 114.30 1wgd n ASP 27 Ca 0.10 1.02 0.07 0.00 0.52 0.00 0.00 54.79 56.50 1wgd n ASP 27 Cb 0.81 -0.84 0.37 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 1.06 0.09 0.09 -0.67 1.74 -1.26 -0.11 116.66 117.60 1wgd n ARG 28 Ca 0.17 0.58 0.07 0.00 -0.77 0.00 0.00 57.85 57.89 1wgd n ARG 28 Cb 0.16 -1.79 -0.01 0.00 -1.02 0.00 0.00 32.46 29.80 1wgd n ARG 28 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1wgd h GLY 29 N 0.13 0.00 -1.05 -0.13 0.00 -1.97 -3.10 103.07 96.95 1wgd h GLY 29 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1wgd h GLY 29 CO 0.00 0.00 -0.27 0.79 0.00 0.00 0.00 176.54 177.06 1wgd n TRP 30 N -2.83 -2.78 -4.25 5.60 7.02 0.84 -4.90 117.44 116.13 1wgd n TRP 30 Ca -0.03 -0.34 -0.20 0.00 -1.02 0.00 0.00 57.50 55.91 1wgd n TRP 30 Cb 0.66 -1.41 -0.16 0.00 -2.42 0.00 0.00 31.31 27.98 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 -2.45 1.04 0.22 -0.99 0.01 -1.26 -4.04 113.70 106.23 1wgd s SER 31 Ca 0.53 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.47 1wgd s SER 31 Cb -0.11 -0.45 0.23 0.00 0.21 0.00 0.00 66.02 65.90 1wgd s SER 31 CO 0.48 -0.02 1.49 0.52 0.41 0.00 0.00 173.24 176.12 1wgd n VAL 32 N 3.81 -0.51 -0.24 3.43 0.31 -0.55 0.19 118.33 124.78 1wgd n VAL 32 Ca -0.23 2.25 -0.03 0.00 -0.01 0.00 0.00 64.34 66.31 1wgd n VAL 32 Cb 0.52 -2.97 0.08 0.00 -0.91 0.00 0.00 33.84 30.56 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 0.99 0.77 2.92 0.00 -0.34 -1.95 103.07 105.46 1wgd h GLY 33 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1wgd h GLY 33 CO -0.95 0.27 -0.20 0.84 0.00 0.00 0.00 176.54 176.50 1wgd h HIS 34 N 0.83 -0.51 -0.95 5.60 6.17 0.11 -3.14 115.15 123.26 1wgd h HIS 34 Ca 0.28 -0.01 0.12 0.00 0.71 0.00 0.00 60.37 61.46 1wgd h HIS 34 Cb 0.03 0.17 -0.13 0.00 2.52 0.00 0.00 27.41 30.00 1wgd h HIS 34 CO -0.05 -0.21 -0.49 1.25 0.71 0.00 0.00 177.93 179.14 1wgd h LEU 35 N -0.79 -1.81 -0.41 0.26 5.85 0.24 0.79 115.31 119.44 1wgd h LEU 35 Ca -0.06 0.31 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1wgd h LEU 35 Cb 0.54 0.85 -0.05 0.00 0.37 0.00 0.00 40.66 42.37 1wgd h LEU 35 CO 0.09 -0.27 -0.24 0.29 -0.34 0.00 0.00 178.44 177.97 1wgd n LYS 36 N -5.36 -0.18 -0.17 1.25 5.02 -0.75 0.98 118.16 118.94 1wgd n LYS 36 Ca 0.05 1.14 -0.11 0.00 -2.02 0.00 0.00 58.31 57.36 1wgd n LYS 36 Cb 0.33 -1.68 -0.07 0.00 -0.02 0.00 0.00 35.03 33.58 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 -0.31 -0.57 -0.67 7.82 0.00 -0.87 0.28 119.26 124.93 1wgd h ALA 37 Ca 0.07 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1wgd h ALA 37 Cb 0.17 1.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 1wgd h ALA 37 CO -0.39 -0.95 -0.20 1.25 0.00 0.00 0.00 179.25 178.96 1wgd h HIS 38 N -0.32 -0.46 0.35 0.00 -0.00 0.90 -0.47 115.15 115.16 1wgd h HIS 38 Ca 0.12 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 1wgd h HIS 38 Cb 0.58 0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 28.26 1wgd h HIS 38 CO -0.72 -0.31 -0.50 -0.07 -0.00 0.00 0.00 177.93 176.32 1wgd h LEU 39 N -0.03 -1.43 -1.28 0.26 3.38 0.36 -0.11 115.31 116.45 1wgd h LEU 39 Ca 0.31 0.13 0.44 0.00 0.09 0.00 0.00 57.88 58.86 1wgd h LEU 39 Cb 0.51 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 1wgd h LEU 39 CO -0.70 -0.62 0.83 -0.24 0.09 0.00 0.00 178.44 177.79 1wgd n SER 40 N -5.53 0.19 0.00 -0.43 2.88 0.68 0.48 113.62 111.88 1wgd n SER 40 Ca -0.11 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wgd n SER 40 Cb 0.44 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1wgd n SER 40 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1wgd n ARG 41 N -4.53 0.00 -0.29 -1.46 0.00 -0.08 -2.98 116.66 107.32 1wgd n ARG 41 Ca 0.37 0.44 0.24 0.00 -0.00 0.00 0.00 57.85 58.90 1wgd n ARG 41 Cb 1.45 -1.36 0.56 0.00 0.00 0.00 0.00 32.46 33.12 1wgd n ARG 41 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1wgd h VAL 42 N 0.00 0.55 -2.81 5.15 -1.51 -0.60 -3.40 116.25 113.63 1wgd h VAL 42 Ca 0.00 -0.11 -0.54 0.00 -1.23 0.00 0.00 66.70 64.83 1wgd h VAL 42 Cb 0.00 0.21 0.01 0.00 -2.13 0.00 0.00 31.29 29.38 1wgd h VAL 42 CO 0.00 0.06 0.90 -0.31 -1.23 0.00 0.00 177.57 176.99 1wgd s TYR 43 N -5.35 2.69 -0.82 5.19 1.51 0.18 -4.92 117.35 115.83 1wgd s TYR 43 Ca -0.08 0.60 -0.25 0.00 -1.01 0.00 0.00 57.07 56.33 1wgd s TYR 43 Cb 0.24 -3.81 0.00 0.00 -0.11 0.00 0.00 41.96 38.29 1wgd s TYR 43 CO 0.79 -3.11 1.63 -1.25 -1.11 0.00 0.00 175.55 172.50 1wgd s PRO 44 N 2.39 2.99 0.00 -1.71 0.04 -1.26 -3.00 135.00 134.45 1wgd s PRO 44 Ca 0.69 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1wgd s PRO 44 Cb -0.36 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.44 1wgd s PRO 44 CO 0.29 -2.61 0.00 -0.85 0.04 0.00 0.00 177.00 173.87 1wgd n GLU 45 N 9.08 0.00 -2.55 4.56 0.28 -1.26 -5.01 120.64 125.75 1wgd n GLU 45 Ca 0.24 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.17 1wgd n GLU 45 Cb 0.50 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.40 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 -1.23 0.00 3.44 5.12 -1.16 -5.05 116.66 117.78 1wgd n ARG 46 Ca 0.00 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 1wgd n ARG 46 Cb 0.00 -4.16 0.00 0.00 -1.16 0.00 0.00 32.46 27.14 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 -2.26 0.52 -4.26 5.56 -0.04 -1.26 -5.05 135.00 128.20 1wgd n PRO 47 Ca -0.03 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.14 1wgd n PRO 47 Cb 0.55 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.97 2.06 0.40 0.54 1.81 -1.26 -4.89 118.95 116.64 1wgd s ARG 48 Ca 0.00 -1.15 0.22 0.00 -1.72 0.00 0.00 55.73 53.08 1wgd s ARG 48 Cb 0.00 -2.22 0.63 0.00 -0.45 0.00 0.00 34.95 32.90 1wgd s ARG 48 CO 0.00 0.47 1.70 -1.00 -0.68 0.00 0.00 175.30 175.79 1wgd h PRO 49 N 3.32 0.00 0.00 3.54 0.13 -1.92 0.25 132.00 137.33 1wgd h PRO 49 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1wgd h PRO 49 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1wgd h PRO 49 CO 0.52 0.26 -0.65 0.93 -0.23 0.00 0.00 178.00 178.83 1wgd h GLU 50 N 0.00 0.00 0.05 0.86 4.39 -1.95 -3.32 114.58 114.61 1wgd h GLU 50 Ca -0.00 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 1wgd h GLU 50 Cb 0.95 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1wgd h GLU 50 CO 0.03 0.10 -2.07 -0.25 -1.16 0.00 0.00 179.01 175.66 1wgd n ASP 51 N -2.92 1.51 -4.55 1.42 8.00 -1.11 -4.83 116.55 114.07 1wgd n ASP 51 Ca 0.00 0.16 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 1wgd n ASP 51 Cb 0.61 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 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 -3.23 1.25 -2.85 -1.24 6.02 0.88 -3.80 117.38 114.41 1wgd n GLN 52 Ca -0.31 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 1wgd n GLN 52 Cb 1.05 -3.23 -0.04 0.00 1.02 0.00 0.00 30.24 29.04 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 7.64 3.54 -0.34 -1.09 0.52 0.20 -4.90 118.95 124.51 1wgd s ARG 53 Ca 1.02 0.14 -0.18 0.00 -0.52 0.00 0.00 55.73 56.19 1wgd s ARG 53 Cb -0.32 -3.92 -0.01 0.00 0.52 0.00 0.00 34.95 31.22 1wgd s ARG 53 CO 0.31 -1.18 0.53 -0.51 0.02 0.00 0.00 175.30 174.48 1wgd s LEU 54 N 3.64 4.30 -0.18 2.53 1.02 -1.26 0.55 118.68 129.28 1wgd s LEU 54 Ca 0.36 0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.57 1wgd s LEU 54 Cb -0.11 -2.62 0.01 0.00 0.02 0.00 0.00 46.19 43.49 1wgd s LEU 54 CO 0.25 -0.47 -0.16 -0.63 0.02 0.00 0.00 176.35 175.35 1wgd s ILE 55 N 2.43 2.41 -0.41 -0.59 1.09 0.81 0.30 121.20 127.24 1wgd s ILE 55 Ca 0.20 -0.83 -0.07 0.00 -1.10 0.00 0.00 60.65 58.85 1wgd s ILE 55 Cb -0.15 -2.03 0.09 0.00 -1.06 0.00 0.00 42.46 39.30 1wgd s ILE 55 CO 0.13 0.51 0.24 -0.47 -0.10 0.00 0.00 174.94 175.25 1wgd s TYR 56 N 1.22 3.39 -0.78 3.97 5.04 0.39 0.16 117.35 130.73 1wgd s TYR 56 Ca 0.03 -1.76 0.00 0.00 -2.44 0.00 0.00 57.07 52.90 1wgd s TYR 56 Cb -0.14 -3.00 0.00 0.00 0.35 0.00 0.00 41.96 39.17 1wgd s TYR 56 CO -0.08 -0.88 0.00 0.45 -1.34 0.00 0.00 175.55 173.69 1wgd n SER 57 N 4.83 -4.58 0.00 4.32 2.88 -1.25 -1.37 113.62 118.44 1wgd n SER 57 Ca -0.09 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1wgd n SER 57 Cb 0.42 -2.73 0.00 0.00 -0.75 0.00 0.00 64.21 61.15 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 -1.16 0.56 3.53 0.46 0.00 -1.26 -5.07 105.19 102.26 1wgd n GLY 58 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.70 3.68 0.66 1.61 1.02 -0.47 -5.02 119.74 120.51 1wgd s LYS 59 Ca 0.00 -0.50 -0.15 0.00 0.02 0.00 0.00 55.97 55.34 1wgd s LYS 59 Cb 0.00 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 1wgd s LYS 59 CO 0.00 -0.29 1.12 -1.17 -0.92 0.00 0.00 175.35 174.09 1wgd s LEU 60 N 1.70 3.39 0.20 3.17 0.20 -1.26 0.15 118.68 126.24 1wgd s LEU 60 Ca 0.06 2.05 0.06 0.00 0.69 0.00 0.00 54.13 56.99 1wgd s LEU 60 Cb -0.16 -4.56 -0.04 0.00 -0.43 0.00 0.00 46.19 41.00 1wgd s LEU 60 CO 0.09 -1.69 0.14 -0.76 -0.29 0.00 0.00 176.35 173.84 1wgd s LEU 61 N -4.86 3.74 0.00 -0.68 1.43 0.15 -4.83 118.68 113.63 1wgd s LEU 61 Ca 0.68 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 1wgd s LEU 61 Cb -0.22 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1wgd s LEU 61 CO 0.41 0.02 0.00 0.18 0.23 0.00 0.00 176.35 177.20 1wgd n LEU 62 N -0.68 1.87 0.00 1.79 4.77 -1.26 -4.75 117.00 118.73 1wgd n LEU 62 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1wgd n LEU 62 Cb 0.56 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1wgd n LEU 62 CO 0.43 -0.08 0.00 -0.90 -1.33 0.00 0.00 177.39 175.51 1wgd n ASP 63 N -0.98 0.00 -1.84 -1.43 5.68 -1.26 -4.65 116.55 112.06 1wgd n ASP 63 Ca 0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.12 1wgd n ASP 63 Cb 0.00 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.07 1wgd n ASP 63 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wgd n HIS 64 N 0.00 1.91 -4.33 2.11 1.44 -1.26 0.38 115.22 115.48 1wgd n HIS 64 Ca 0.00 -1.65 -0.28 0.00 -2.01 0.00 0.00 57.72 53.78 1wgd n HIS 64 Cb 0.00 -0.82 -0.11 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 -2.13 1.77 0.09 -1.40 -0.21 -1.26 -4.99 119.66 111.53 1wgd s GLN 65 Ca 0.37 -1.28 -0.07 0.00 0.02 0.00 0.00 55.36 54.40 1wgd s GLN 65 Cb 0.30 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 32.20 1wgd s GLN 65 CO 0.04 0.45 0.36 0.00 -2.12 0.00 0.00 175.29 174.03 1wgd h LEU 67 N 3.37 0.13 -0.91 0.00 3.38 -1.70 -2.72 115.31 116.86 1wgd h LEU 67 Ca -0.48 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 57.62 1wgd h LEU 67 Cb 1.18 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 41.79 1wgd h LEU 67 CO 0.69 0.53 0.49 -0.09 0.09 0.00 0.00 178.44 180.15 1wgd h ARG 68 N 0.11 0.61 0.18 1.13 1.12 -1.84 0.66 114.38 116.34 1wgd h ARG 68 Ca 0.01 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1wgd h ARG 68 Cb 0.77 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.60 1wgd h ARG 68 CO 0.06 0.40 -0.08 -0.44 -3.11 0.00 0.00 179.97 176.80 1wgd h ASP 69 N 0.63 -0.20 0.00 -3.80 5.19 -1.82 -3.38 116.42 113.04 1wgd h ASP 69 Ca 0.52 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1wgd h ASP 69 Cb 0.81 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1wgd h ASP 69 CO -0.40 0.35 0.00 0.18 -3.12 0.00 0.00 179.24 176.25 1wgd n LEU 70 N -4.92 0.00 -4.52 1.55 4.77 -0.87 -4.60 117.00 108.41 1wgd n LEU 70 Ca -0.06 0.86 -0.35 0.00 -0.03 0.00 0.00 56.01 56.43 1wgd n LEU 70 Cb 0.22 -0.36 0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1wgd n LEU 70 CO 0.19 -0.36 0.25 0.18 -1.33 0.00 0.00 177.39 176.32 1wgd n LEU 71 N -2.05 1.80 0.00 2.23 4.77 0.22 -4.99 117.00 118.98 1wgd n LEU 71 Ca 0.00 0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 56.34 1wgd n LEU 71 Cb 0.00 -1.30 0.16 0.00 -2.33 0.00 0.00 43.42 39.95 1wgd n LEU 71 CO 0.00 -2.74 0.53 -0.81 -1.33 0.00 0.00 177.39 173.04 1wgd n PRO 72 N -1.48 -1.72 -2.92 3.23 -0.04 -1.26 -4.76 135.00 126.04 1wgd n PRO 72 Ca 0.11 -1.36 -0.28 0.00 -0.04 0.00 0.00 63.50 61.92 1wgd n PRO 72 Cb 0.50 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 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 -3.44 3.43 -4.05 0.54 2.85 -1.26 -4.99 118.16 111.24 1wgd n LYS 73 Ca 0.11 -4.85 -0.10 0.00 -1.05 0.00 0.00 58.31 52.42 1wgd n LYS 73 Cb 0.42 -2.26 -0.06 0.00 -0.65 0.00 0.00 35.03 32.47 1wgd n LYS 73 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1wgd s GLN 74 N -3.53 1.51 -0.85 -1.58 -0.21 -1.26 -5.10 119.66 108.64 1wgd s GLN 74 Ca 0.48 -1.38 -0.23 0.00 0.02 0.00 0.00 55.36 54.25 1wgd s GLN 74 Cb 0.27 0.43 0.07 0.00 1.00 0.00 0.00 33.01 34.77 1wgd s GLN 74 CO -0.14 -0.60 1.23 -2.00 -2.12 0.00 0.00 175.29 171.66 1wgd s GLU 75 N -3.96 3.39 -0.24 2.91 2.12 -1.26 -4.90 118.70 116.76 1wgd s GLU 75 Ca 0.27 -0.99 -0.29 0.00 0.36 0.00 0.00 54.97 54.32 1wgd s GLU 75 Cb 0.01 -4.72 0.16 0.00 0.26 0.00 0.00 34.13 29.84 1wgd s GLU 75 CO 0.11 -2.01 1.21 0.21 -0.54 0.00 0.00 175.26 174.24 1wgd s LYS 76 N 4.43 0.29 1.01 4.30 2.47 -1.26 -5.17 119.74 125.81 1wgd s LYS 76 Ca 0.35 0.11 -0.14 0.00 -1.56 0.00 0.00 55.97 54.73 1wgd s LYS 76 Cb -0.07 0.14 0.19 0.00 -1.46 0.00 0.00 37.83 36.63 1wgd s LYS 76 CO 0.01 -0.08 1.11 1.03 0.16 0.00 0.00 175.35 177.58 1wgd s ARG 77 N -0.86 0.31 0.14 4.03 1.81 -1.26 -4.94 118.95 118.19 1wgd s ARG 77 Ca 0.04 0.32 0.09 0.00 -1.72 0.00 0.00 55.73 54.47 1wgd s ARG 77 Cb -0.01 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.71 1wgd s ARG 77 CO -0.05 -2.77 -0.21 -1.01 -0.68 0.00 0.00 175.30 170.58 1wgd s HIS 78 N -3.08 1.92 -0.20 -0.53 3.76 -0.58 -5.03 115.29 111.55 1wgd s HIS 78 Ca 0.66 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.15 1wgd s HIS 78 Cb -0.16 -1.00 0.05 0.00 1.11 0.00 0.00 32.58 32.58 1wgd s HIS 78 CO 0.56 0.31 -0.07 0.08 -0.85 0.00 0.00 174.74 174.77 1wgd s VAL 79 N -1.60 1.44 0.31 -0.90 1.01 -1.26 -0.78 120.40 118.62 1wgd s VAL 79 Ca 0.13 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.23 1wgd s VAL 79 Cb -0.08 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1wgd s VAL 79 CO 0.06 0.08 0.27 -0.76 0.00 0.00 0.00 175.10 174.74 1wgd s LEU 80 N 1.47 3.67 -0.32 3.92 2.01 0.38 -3.91 118.68 125.90 1wgd s LEU 80 Ca -0.02 -0.42 0.01 0.00 0.01 0.00 0.00 54.13 53.71 1wgd s LEU 80 Cb -0.17 -2.26 0.10 0.00 0.01 0.00 0.00 46.19 43.87 1wgd s LEU 80 CO -0.07 -0.26 0.09 -1.00 1.01 0.00 0.00 176.35 176.11 1wgd s HIS 81 N -2.25 2.35 -0.62 0.29 3.76 0.42 0.14 115.29 119.38 1wgd s HIS 81 Ca 0.39 -2.15 -0.22 0.00 -0.15 0.00 0.00 55.06 52.93 1wgd s HIS 81 Cb -0.06 -2.09 0.07 0.00 1.11 0.00 0.00 32.58 31.60 1wgd s HIS 81 CO 0.26 -0.90 0.90 -1.17 -0.85 0.00 0.00 174.74 172.98 1wgd s LEU 82 N 1.35 4.51 -0.20 0.89 2.96 -1.22 -0.13 118.68 126.85 1wgd s LEU 82 Ca 0.10 -0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 52.91 1wgd s LEU 82 Cb -0.18 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1wgd s LEU 82 CO -0.19 -1.32 0.48 -0.69 -1.32 0.00 0.00 176.35 173.31 1wgd s VAL 83 N 3.75 5.14 -0.02 1.68 1.01 0.19 -4.63 120.40 127.51 1wgd s VAL 83 Ca 0.22 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 1wgd s VAL 83 Cb -0.17 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wgd s VAL 83 CO 0.11 0.20 0.82 0.00 0.00 0.00 0.00 175.10 176.24 1wgd s ASN 85 N 0.76 2.39 -0.12 0.00 -0.87 -1.25 -4.99 114.94 110.86 1wgd s ASN 85 Ca 0.44 -0.55 -0.05 0.00 -1.57 0.00 0.00 52.86 51.13 1wgd s ASN 85 Cb -0.19 -0.49 0.05 0.00 -0.02 0.00 0.00 41.25 40.60 1wgd s ASN 85 CO 0.23 -0.27 0.26 0.54 -2.57 0.00 0.00 177.10 175.28 1wgd s VAL 86 N 1.94 -0.21 -0.09 1.60 0.11 -1.26 -4.71 120.40 117.77 1wgd s VAL 86 Ca 0.01 0.21 -0.04 0.00 -2.93 0.00 0.00 61.98 59.23 1wgd s VAL 86 Cb -0.15 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1wgd s VAL 86 CO -0.07 0.09 0.10 -1.59 -3.33 0.00 0.00 175.10 170.29 1wgd s LYS 87 N 1.81 3.26 -0.42 1.54 0.00 -1.26 -5.04 119.74 119.62 1wgd s LYS 87 Ca -0.04 -0.26 0.01 0.00 0.00 0.00 0.00 55.97 55.67 1wgd s LYS 87 Cb -0.11 -3.03 0.20 0.00 0.00 0.00 0.00 37.83 34.89 1wgd s LYS 87 CO -0.09 0.74 0.88 0.45 0.00 0.00 0.00 175.35 177.33 1wgd s SER 88 N -1.12 -0.93 0.44 0.03 0.15 -1.26 -5.15 113.70 105.86 1wgd s SER 88 Ca 0.16 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.86 1wgd s SER 88 Cb -0.12 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.40 1wgd s SER 88 CO 0.05 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1wgd n GLY 89 N 3.09 -2.37 3.66 9.45 0.00 -1.26 -4.64 105.19 113.12 1wgd n GLY 89 Ca 0.13 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.16 4.23 0.15 1.61 0.04 -1.26 -4.93 135.00 131.68 1wgd s PRO 90 Ca 0.00 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 1wgd s PRO 90 Cb 0.00 -3.77 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1wgd s PRO 90 CO 0.00 -0.71 1.56 1.03 0.04 0.00 0.00 177.00 178.92 1wgd h SER 91 N 8.24 -1.69 -3.31 6.66 0.87 -2.04 -3.39 113.55 118.89 1wgd h SER 91 Ca -0.27 0.25 -0.32 0.00 -1.23 0.00 0.00 61.79 60.22 1wgd h SER 91 Cb 1.10 0.73 -0.36 0.00 -0.44 0.00 0.00 62.40 63.43 1wgd h SER 91 CO 0.97 -0.37 -0.70 -0.44 -0.53 0.00 0.00 176.83 175.77 1wgd s SER 92 N -5.12 0.68 0.00 6.23 0.01 -1.26 -5.24 113.70 109.00 1wgd s SER 92 Ca -0.14 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wgd s SER 92 Cb 0.11 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1wgd s SER 92 CO 0.64 -0.21 0.39 0.61 0.41 0.00 0.00 173.24 175.08