#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 -5.14 -3.23 1.61 2.88 -1.26 -5.00 113.62 103.48 1wgd n SER 2 Ca 0.00 0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.92 1wgd n SER 2 Cb 0.00 -0.80 -0.02 0.00 -0.75 0.00 0.00 64.21 62.64 1wgd n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wgd s SER 3 N -1.02 -1.06 0.00 -3.46 0.15 -1.26 -5.12 113.70 101.93 1wgd s SER 3 Ca 0.46 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.93 1wgd s SER 3 Cb -0.29 1.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.97 1wgd s SER 3 CO 0.77 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1wgd n GLY 4 N 5.40 0.25 3.34 9.45 0.00 -1.26 -5.13 105.19 117.24 1wgd n GLY 4 Ca -0.05 0.52 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 1wgd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgd s SER 5 N 2.00 4.36 -0.47 1.61 0.15 -1.26 -5.02 113.70 115.07 1wgd s SER 5 Ca 0.00 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.35 1wgd s SER 5 Cb 0.00 -1.74 0.19 0.00 -1.71 0.00 0.00 66.02 62.76 1wgd s SER 5 CO 0.00 0.01 0.57 -0.24 1.20 0.00 0.00 173.24 174.79 1wgd n SER 6 N 4.58 -2.03 0.00 5.45 2.88 -1.26 -5.12 113.62 118.13 1wgd n SER 6 Ca -0.18 -2.71 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1wgd n SER 6 Cb 0.51 0.70 0.00 0.00 -0.75 0.00 0.00 64.21 64.67 1wgd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgd n GLY 7 N 2.72 0.48 3.67 0.46 0.00 -1.26 -4.80 105.19 106.45 1wgd n GLY 7 Ca 0.22 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.24 2.14 -0.24 1.61 -7.23 -1.26 -4.90 120.40 110.28 1wgd s VAL 8 Ca 0.00 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 1wgd s VAL 8 Cb 0.00 -2.99 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1wgd s VAL 8 CO 0.00 -0.01 0.05 -0.89 -0.31 0.00 0.00 175.10 173.94 1wgd s THR 9 N -2.66 4.15 -0.29 5.32 2.01 -1.26 -0.30 115.64 122.62 1wgd s THR 9 Ca 0.38 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1wgd s THR 9 Cb 0.07 -2.93 0.01 0.00 0.01 0.00 0.00 72.50 69.66 1wgd s THR 9 CO 0.20 0.36 0.05 -0.76 -0.69 0.00 0.00 174.62 173.78 1wgd s LEU 10 N 1.52 3.73 -0.58 4.42 1.43 0.42 0.18 118.68 129.80 1wgd s LEU 10 Ca 0.06 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.19 1wgd s LEU 10 Cb -0.15 -1.84 0.07 0.00 0.03 0.00 0.00 46.19 44.31 1wgd s LEU 10 CO 0.02 -0.18 0.79 -0.22 0.23 0.00 0.00 176.35 176.99 1wgd s LEU 11 N 1.46 4.80 -0.83 1.79 2.96 0.17 -1.73 118.68 127.30 1wgd s LEU 11 Ca 0.02 -1.00 -0.25 0.00 -0.22 0.00 0.00 54.13 52.67 1wgd s LEU 11 Cb -0.17 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.08 1wgd s LEU 11 CO 0.01 -1.16 1.57 -0.69 -1.32 0.00 0.00 176.35 174.76 1wgd s VAL 12 N 3.25 3.66 0.48 1.68 1.01 0.46 0.13 120.40 131.07 1wgd s VAL 12 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1wgd s VAL 12 Cb -0.19 -4.59 -0.00 0.00 0.00 0.00 0.00 36.38 31.59 1wgd s VAL 12 CO 0.11 -1.52 0.73 -0.54 0.00 0.00 0.00 175.10 173.87 1wgd s LYS 13 N 6.01 3.05 -0.18 2.72 1.02 0.35 -2.71 119.74 130.00 1wgd s LYS 13 Ca 0.51 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1wgd s LYS 13 Cb -0.06 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 1wgd s LYS 13 CO 0.06 -0.36 -0.19 -1.12 -0.92 0.00 0.00 175.35 172.81 1wgd s SER 14 N -4.23 3.17 0.00 2.83 0.01 -1.26 -2.81 113.70 111.41 1wgd s SER 14 Ca 0.50 -0.68 0.22 0.00 1.31 0.00 0.00 55.95 57.29 1wgd s SER 14 Cb -0.10 -1.45 0.93 0.00 0.21 0.00 0.00 66.02 65.60 1wgd s SER 14 CO 0.40 -0.02 1.70 -0.81 0.41 0.00 0.00 173.24 174.92 1wgd n PRO 15 N 4.62 0.00 0.00 12.44 -0.04 -1.26 -4.17 135.00 146.59 1wgd n PRO 15 Ca -0.20 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1wgd n PRO 15 Cb 0.49 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1wgd n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wgd n ASN 16 N -1.51 0.00 -4.11 3.54 4.13 -1.26 -4.91 115.26 111.15 1wgd n ASN 16 Ca 0.05 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.96 1wgd n ASN 16 Cb 0.26 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 1wgd n ASN 16 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wgd n GLN 17 N -1.14 1.39 -0.63 3.52 10.64 -1.26 -4.78 117.38 125.11 1wgd n GLN 17 Ca 0.00 -2.08 -0.18 0.00 -1.83 0.00 0.00 57.00 52.92 1wgd n GLN 17 Cb 0.00 -3.32 -0.02 0.00 -0.86 0.00 0.00 30.24 26.04 1wgd n GLN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1wgd n ARG 18 N 7.72 1.75 -3.64 2.61 1.74 -1.26 -4.62 116.66 120.96 1wgd n ARG 18 Ca 0.47 -1.24 -0.39 0.00 -0.77 0.00 0.00 57.85 55.92 1wgd n ARG 18 Cb 0.44 -2.32 -0.09 0.00 -1.02 0.00 0.00 32.46 29.47 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 3.39 3.49 0.42 -1.55 3.76 -1.26 -5.01 115.29 118.54 1wgd s HIS 19 Ca 0.35 -2.24 0.00 0.00 -0.15 0.00 0.00 55.06 53.02 1wgd s HIS 19 Cb 0.10 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1wgd s HIS 19 CO -0.03 -0.95 0.00 0.54 -0.85 0.00 0.00 174.74 173.45 1wgd n ARG 20 N 4.41 -2.85 -4.52 1.40 1.74 -1.26 -4.96 116.66 110.62 1wgd n ARG 20 Ca -0.01 2.08 -0.25 0.00 -0.77 0.00 0.00 57.85 58.91 1wgd n ARG 20 Cb 0.41 -3.45 -0.10 0.00 -1.02 0.00 0.00 32.46 28.29 1wgd n ARG 20 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1wgd s ASP 21 N -6.82 3.48 -0.09 0.55 -4.77 -1.26 -4.76 116.67 103.00 1wgd s ASP 21 Ca 0.00 -1.21 -0.01 0.00 -3.30 0.00 0.00 52.55 48.03 1wgd s ASP 21 Cb 0.00 -0.30 0.03 0.00 -1.09 0.00 0.00 42.92 41.56 1wgd s ASP 21 CO 0.00 -0.26 -0.02 -0.22 0.70 0.00 0.00 175.17 175.37 1wgd s LEU 22 N -3.57 0.77 -0.14 2.11 2.96 -1.10 -4.99 118.68 114.71 1wgd s LEU 22 Ca 0.32 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1wgd s LEU 22 Cb 0.03 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.16 1wgd s LEU 22 CO 0.15 -0.18 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.20 1wgd s GLU 23 N 1.90 3.44 0.25 1.98 -6.30 -1.26 0.17 118.70 118.88 1wgd s GLU 23 Ca 0.05 -0.65 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 1wgd s GLU 23 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 34.13 31.25 1wgd s GLU 23 CO -0.06 0.17 0.21 -0.48 0.02 0.00 0.00 175.26 175.13 1wgd s LEU 24 N 0.47 1.25 0.52 2.70 2.34 -0.70 -4.95 118.68 120.31 1wgd s LEU 24 Ca -0.08 -1.46 -0.20 0.00 0.06 0.00 0.00 54.13 52.45 1wgd s LEU 24 Cb -0.15 0.59 -0.07 0.00 -0.56 0.00 0.00 46.19 46.00 1wgd s LEU 24 CO 0.04 -0.95 1.10 -0.55 -1.06 0.00 0.00 176.35 174.93 1wgd s SER 25 N -3.21 5.92 -0.36 1.48 0.15 -1.26 -0.44 113.70 115.98 1wgd s SER 25 Ca 0.38 2.09 0.14 0.00 0.70 0.00 0.00 55.95 59.26 1wgd s SER 25 Cb 0.05 -2.57 0.42 0.00 -1.71 0.00 0.00 66.02 62.21 1wgd s SER 25 CO 0.17 -1.08 0.92 0.61 1.20 0.00 0.00 173.24 175.06 1wgd n GLY 26 N 0.02 2.82 3.35 9.45 0.00 0.59 -4.72 105.19 116.70 1wgd n GLY 26 Ca 0.11 -1.66 -0.57 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.05 0.17 0.20 1.61 2.03 -1.26 -4.04 116.55 115.21 1wgd n ASP 27 Ca 0.18 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.71 1wgd n ASP 27 Cb 0.74 -0.86 0.64 0.00 -0.72 0.00 0.00 41.12 40.91 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 3.13 0.00 0.00 -0.67 3.08 -1.95 0.33 114.38 118.30 1wgd h ARG 28 Ca -0.47 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.33 1wgd h ARG 28 Cb 1.34 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1wgd h ARG 28 CO 0.66 0.00 -1.41 0.78 -1.07 0.00 0.00 179.97 178.93 1wgd h GLY 29 N 0.00 0.00 -1.28 0.04 0.00 -1.97 -1.88 103.07 97.99 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 -0.78 0.79 0.00 0.00 0.00 176.54 176.55 1wgd n TRP 30 N -3.13 -1.93 -4.26 5.60 7.02 0.12 -4.77 117.44 116.08 1wgd n TRP 30 Ca -0.10 0.11 -0.20 0.00 -1.02 0.00 0.00 57.50 56.30 1wgd n TRP 30 Cb 0.98 -1.44 -0.16 0.00 -2.42 0.00 0.00 31.31 28.28 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 -1.82 1.01 0.32 -0.99 0.01 -1.26 -3.30 113.70 107.66 1wgd s SER 31 Ca 0.42 -0.15 0.07 0.00 1.31 0.00 0.00 55.95 57.60 1wgd s SER 31 Cb -0.06 -0.38 0.90 0.00 0.21 0.00 0.00 66.02 66.69 1wgd s SER 31 CO 0.46 0.00 1.52 0.52 0.41 0.00 0.00 173.24 176.16 1wgd n VAL 32 N 3.65 -0.41 -0.11 3.43 0.31 -0.66 0.19 118.33 124.74 1wgd n VAL 32 Ca -0.22 2.09 -0.12 0.00 -0.01 0.00 0.00 64.34 66.08 1wgd n VAL 32 Cb 0.53 -3.14 -0.03 0.00 -0.91 0.00 0.00 33.84 30.28 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 0.73 0.72 2.92 0.00 0.69 -2.88 103.07 105.25 1wgd h GLY 33 Ca 0.65 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1wgd h GLY 33 CO -0.87 0.59 -0.11 0.84 0.00 0.00 0.00 176.54 177.00 1wgd h HIS 34 N 0.44 -0.27 -0.99 5.60 6.17 0.18 -3.14 115.15 123.14 1wgd h HIS 34 Ca 0.07 -0.01 0.13 0.00 0.71 0.00 0.00 60.37 61.28 1wgd h HIS 34 Cb 0.67 0.09 -0.14 0.00 2.52 0.00 0.00 27.41 30.55 1wgd h HIS 34 CO 0.06 0.03 -0.46 1.25 0.71 0.00 0.00 177.93 179.51 1wgd h LEU 35 N -0.58 -1.70 -0.39 0.26 5.85 0.21 0.81 115.31 119.77 1wgd h LEU 35 Ca -0.03 0.32 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1wgd h LEU 35 Cb 0.42 0.83 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 1wgd h LEU 35 CO 0.05 -0.27 -0.23 0.29 -0.34 0.00 0.00 178.44 177.94 1wgd n LYS 36 N -5.39 -0.17 -0.37 1.25 5.02 -1.09 0.18 118.16 117.59 1wgd n LYS 36 Ca 0.07 1.13 0.02 0.00 -2.02 0.00 0.00 58.31 57.50 1wgd n LYS 36 Cb 0.35 -1.67 0.08 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.34 0.36 -0.56 7.82 0.00 -0.88 1.51 119.26 127.18 1wgd h ALA 37 Ca 0.06 0.32 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1wgd h ALA 37 Cb 0.16 0.90 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1wgd h ALA 37 CO -0.37 -0.52 0.34 1.25 0.00 0.00 0.00 179.25 179.94 1wgd h HIS 38 N -0.00 0.74 0.73 0.00 -0.00 0.92 -2.64 115.15 114.89 1wgd h HIS 38 Ca 0.40 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.73 1wgd h HIS 38 Cb 0.65 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.82 1wgd h HIS 38 CO -0.83 0.51 -0.36 -0.07 -0.00 0.00 0.00 177.93 177.18 1wgd h LEU 39 N 0.75 -0.86 -1.82 0.26 3.38 1.15 -1.82 115.31 116.36 1wgd h LEU 39 Ca 0.20 0.03 0.53 0.00 0.09 0.00 0.00 57.88 58.73 1wgd h LEU 39 Cb -0.01 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 1wgd h LEU 39 CO -0.04 -0.60 1.31 -1.54 0.09 0.00 0.00 178.44 177.65 1wgd n SER 40 N -4.69 0.01 0.00 -0.43 3.41 0.41 0.07 113.62 112.40 1wgd n SER 40 Ca -0.12 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.42 1wgd n SER 40 Cb 0.39 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.13 4.33 0.63 -0.73 -3.21 116.66 114.01 1wgd n ARG 41 Ca 0.41 0.47 0.18 0.00 -0.92 0.00 0.00 57.85 57.99 1wgd n ARG 41 Cb 1.86 -1.21 0.64 0.00 0.45 0.00 0.00 32.46 34.20 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 -3.34 5.15 -1.51 -0.33 -3.38 116.25 113.01 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 0.48 -0.06 0.00 -2.13 0.00 0.00 31.29 29.57 1wgd h VAL 42 CO 0.00 0.00 0.28 -0.47 -1.23 0.00 0.00 177.57 176.15 1wgd s TYR 43 N -4.37 3.48 -0.69 5.19 5.04 0.11 -4.99 117.35 121.12 1wgd s TYR 43 Ca -0.03 1.26 -0.27 0.00 -2.44 0.00 0.00 57.07 55.59 1wgd s TYR 43 Cb 0.12 -2.95 0.00 0.00 0.35 0.00 0.00 41.96 39.49 1wgd s TYR 43 CO 0.40 -0.12 1.57 -1.25 -1.34 0.00 0.00 175.55 174.81 1wgd s PRO 44 N 1.66 2.92 0.00 4.97 0.04 -1.26 -3.06 135.00 140.26 1wgd s PRO 44 Ca 0.38 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1wgd s PRO 44 Cb -0.17 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1wgd s PRO 44 CO 0.15 -2.46 0.00 -0.85 0.04 0.00 0.00 177.00 173.88 1wgd n GLU 45 N 9.27 0.00 -2.92 4.56 0.28 -1.26 -4.98 120.64 125.58 1wgd n GLU 45 Ca 0.13 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.01 1wgd n GLU 45 Cb 0.50 0.00 0.06 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 -2.29 -2.47 3.44 5.12 -1.17 -4.95 116.66 114.33 1wgd n ARG 46 Ca 0.00 0.68 -0.42 0.00 -1.93 0.00 0.00 57.85 56.18 1wgd n ARG 46 Cb 0.00 -4.95 -0.03 0.00 -1.16 0.00 0.00 32.46 26.32 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 -4.24 4.46 0.54 5.56 0.04 -1.26 -4.98 135.00 135.11 1wgd s PRO 47 Ca 0.31 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 1wgd s PRO 47 Cb -0.04 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 1wgd s PRO 47 CO 0.58 -0.21 0.66 0.54 0.04 0.00 0.00 177.00 178.61 1wgd n ARG 48 N 3.86 0.68 0.19 4.56 1.74 -1.26 -4.56 116.66 121.88 1wgd n ARG 48 Ca 0.08 0.26 0.07 0.00 -0.77 0.00 0.00 57.85 57.49 1wgd n ARG 48 Cb 0.47 -1.79 0.28 0.00 -1.02 0.00 0.00 32.46 30.40 1wgd n ARG 48 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1wgd h PRO 49 N 0.51 0.00 -1.01 5.56 0.13 -1.93 -2.69 132.00 132.57 1wgd h PRO 49 Ca -0.45 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.41 1wgd h PRO 49 Cb 1.39 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.35 1wgd h PRO 49 CO 0.49 0.31 0.35 0.39 -0.23 0.00 0.00 178.00 179.31 1wgd n GLU 50 N -3.32 1.66 0.00 0.86 -0.58 -1.26 -3.94 120.64 114.05 1wgd n GLU 50 Ca 0.01 -1.57 0.00 0.00 -0.42 0.00 0.00 57.16 55.18 1wgd n GLU 50 Cb 0.54 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.35 0.00 -4.61 1.62 8.00 -1.14 -5.08 116.55 114.98 1wgd n ASP 51 Ca 0.31 0.00 -0.58 0.00 0.71 0.00 0.00 54.79 55.23 1wgd n ASP 51 Cb 1.11 0.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.16 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 -2.19 0.61 -3.57 -1.24 6.02 -1.03 -4.54 117.38 111.45 1wgd n GLN 52 Ca 0.00 0.22 -0.41 0.00 -0.01 0.00 0.00 57.00 56.80 1wgd n GLN 52 Cb 0.00 -1.81 -0.10 0.00 1.02 0.00 0.00 30.24 29.35 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 1.36 2.79 -0.27 -1.09 0.52 -0.82 -4.96 118.95 116.49 1wgd s ARG 53 Ca 0.93 -1.21 -0.18 0.00 -0.52 0.00 0.00 55.73 54.75 1wgd s ARG 53 Cb -1.16 -3.80 -0.03 0.00 0.52 0.00 0.00 34.95 30.48 1wgd s ARG 53 CO 0.59 -0.81 0.50 -0.51 0.02 0.00 0.00 175.30 175.10 1wgd s LEU 54 N 1.54 4.07 -0.05 2.53 1.02 -1.26 -0.50 118.68 126.03 1wgd s LEU 54 Ca 0.02 0.46 0.06 0.00 0.02 0.00 0.00 54.13 54.70 1wgd s LEU 54 Cb -0.21 -2.64 -0.01 0.00 0.02 0.00 0.00 46.19 43.35 1wgd s LEU 54 CO 0.06 -0.29 -0.23 -0.63 0.02 0.00 0.00 176.35 175.27 1wgd s ILE 55 N 2.30 1.88 -0.05 -0.59 1.09 -0.50 0.23 121.20 125.56 1wgd s ILE 55 Ca 0.21 -0.98 0.00 0.00 -1.10 0.00 0.00 60.65 58.78 1wgd s ILE 55 Cb -0.16 -1.59 0.02 0.00 -1.06 0.00 0.00 42.46 39.67 1wgd s ILE 55 CO 0.10 0.53 -0.03 -0.47 -0.10 0.00 0.00 174.94 174.96 1wgd s TYR 56 N -0.17 0.68 -0.77 3.97 6.14 0.34 0.31 117.35 127.85 1wgd s TYR 56 Ca -0.02 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.51 1wgd s TYR 56 Cb -0.13 -0.67 0.00 0.00 0.42 0.00 0.00 41.96 41.58 1wgd s TYR 56 CO 0.03 -0.22 0.00 0.43 0.64 0.00 0.00 175.55 176.43 1wgd n SER 57 N 4.32 -5.59 0.00 4.32 7.64 -1.26 0.23 113.62 123.27 1wgd n SER 57 Ca -0.21 0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1wgd n SER 57 Cb 0.51 -3.73 0.00 0.00 -1.01 0.00 0.00 64.21 59.98 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 0.20 0.47 3.86 0.23 0.00 -1.26 -5.06 105.19 103.62 1wgd n GLY 58 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1wgd n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wgd s LYS 59 N -0.90 3.47 0.12 1.61 0.00 0.13 -5.07 119.74 119.10 1wgd s LYS 59 Ca 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 55.97 55.55 1wgd s LYS 59 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 37.83 34.58 1wgd s LYS 59 CO 0.00 0.74 0.82 -1.17 0.00 0.00 0.00 175.35 175.74 1wgd s LEU 60 N -0.91 4.53 0.39 2.77 1.98 -1.26 0.13 118.68 126.30 1wgd s LEU 60 Ca 0.14 1.64 -0.01 0.00 -2.89 0.00 0.00 54.13 53.01 1wgd s LEU 60 Cb -0.12 -3.36 -0.03 0.00 0.66 0.00 0.00 46.19 43.34 1wgd s LEU 60 CO 0.03 0.08 0.62 -0.76 -1.89 0.00 0.00 176.35 174.43 1wgd s LEU 61 N -0.55 3.89 0.00 -0.68 1.43 0.14 -4.92 118.68 117.98 1wgd s LEU 61 Ca 0.39 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.03 1wgd s LEU 61 Cb -0.23 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1wgd s LEU 61 CO 0.26 -0.40 0.00 0.18 0.23 0.00 0.00 176.35 176.62 1wgd n LEU 62 N -1.93 0.00 0.00 1.79 4.77 -1.26 -4.70 117.00 115.67 1wgd n LEU 62 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1wgd n LEU 62 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1wgd n LEU 62 CO 0.50 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.66 1wgd n ASP 63 N 0.00 0.00 0.24 -1.43 5.68 -1.26 -4.49 116.55 115.29 1wgd n ASP 63 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 1wgd n ASP 63 Cb 0.00 0.11 0.39 0.00 -1.14 0.00 0.00 41.12 40.48 1wgd n ASP 63 CO 0.00 0.00 0.00 1.12 -1.33 0.00 0.00 177.20 176.99 1wgd h HIS 64 N 0.00 0.00 -4.08 2.11 2.07 -1.93 0.94 115.15 114.25 1wgd h HIS 64 Ca 0.00 0.00 -0.55 0.00 -2.85 0.00 0.00 60.37 56.97 1wgd h HIS 64 Cb 0.00 0.00 0.14 0.00 2.57 0.00 0.00 27.41 30.12 1wgd h HIS 64 CO 0.00 0.03 0.54 -0.65 -3.07 0.00 0.00 177.93 174.78 1wgd s GLN 65 N -3.41 2.87 0.03 5.12 -1.52 -1.26 -4.81 119.66 116.68 1wgd s GLN 65 Ca 0.04 2.08 -0.02 0.00 -1.95 0.00 0.00 55.36 55.52 1wgd s GLN 65 Cb 0.07 -2.03 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1wgd s GLN 65 CO 0.62 -1.36 0.22 0.00 -0.25 0.00 0.00 175.29 174.52 1wgd h LEU 67 N 3.42 0.35 -0.32 0.00 3.38 -1.58 -2.57 115.31 117.99 1wgd h LEU 67 Ca -0.47 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.55 1wgd h LEU 67 Cb 1.17 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1wgd h LEU 67 CO 0.72 0.25 -0.19 -1.14 0.09 0.00 0.00 178.44 178.17 1wgd n ARG 68 N -4.89 -0.14 0.06 1.13 0.63 -0.71 0.67 116.66 113.41 1wgd n ARG 68 Ca 0.03 1.06 -0.08 0.00 -0.92 0.00 0.00 57.85 57.95 1wgd n ARG 68 Cb 0.10 -1.58 -0.05 0.00 0.45 0.00 0.00 32.46 31.38 1wgd n ARG 68 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1wgd h ASP 69 N 0.00 -0.74 0.00 6.15 3.32 -1.82 -3.23 116.42 120.10 1wgd h ASP 69 Ca 0.05 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wgd h ASP 69 Cb 0.13 0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1wgd h ASP 69 CO -0.30 -0.27 0.00 0.18 -1.72 0.00 0.00 179.24 177.13 1wgd n LEU 70 N -3.85 0.00 -4.15 1.55 4.77 -0.57 -4.53 117.00 110.22 1wgd n LEU 70 Ca -0.04 0.40 -0.36 0.00 -0.03 0.00 0.00 56.01 55.98 1wgd n LEU 70 Cb 0.19 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 1wgd n LEU 70 CO 0.08 0.00 -0.90 0.18 -1.33 0.00 0.00 177.39 175.42 1wgd n LEU 71 N -0.80 -4.09 0.00 2.23 4.77 0.21 -4.97 117.00 114.35 1wgd n LEU 71 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1wgd n LEU 71 Cb 0.00 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1wgd n LEU 71 CO 0.00 -5.19 0.00 -0.81 -1.33 0.00 0.00 177.39 170.06 1wgd n PRO 72 N 1.35 0.63 -1.74 3.23 -0.04 -1.26 -4.81 135.00 132.36 1wgd n PRO 72 Ca 0.02 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 1wgd n PRO 72 Cb 0.54 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.31 4.21 -1.32 0.54 4.76 -1.26 -4.93 118.16 119.86 1wgd n LYS 73 Ca 0.00 -2.98 0.15 0.00 -2.87 0.00 0.00 58.31 52.62 1wgd n LYS 73 Cb 0.00 -2.71 -0.07 0.00 -1.84 0.00 0.00 35.03 30.40 1wgd n LYS 73 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1wgd n GLN 74 N 2.54 -2.79 0.00 1.97 7.27 -1.26 -5.03 117.38 120.08 1wgd n GLN 74 Ca 0.68 2.21 0.00 0.00 0.07 0.00 0.00 57.00 59.96 1wgd n GLN 74 Cb 0.24 -3.37 0.00 0.00 2.41 0.00 0.00 30.24 29.53 1wgd n GLN 74 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1wgd n GLU 75 N -4.09 0.00 0.06 3.69 4.07 -1.26 -5.04 120.64 118.07 1wgd n GLU 75 Ca -0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 1wgd n GLU 75 Cb 0.61 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.99 1wgd n GLU 75 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1wgd n LYS 76 N 0.00 0.00 -1.50 5.31 4.81 -1.26 -5.16 118.16 120.35 1wgd n LYS 76 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1wgd n LYS 76 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1wgd n LYS 76 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1wgd n ARG 77 N -3.01 0.13 -3.78 1.64 0.00 -1.26 -4.40 116.66 105.97 1wgd n ARG 77 Ca 0.00 -0.30 -0.13 0.00 -0.00 0.00 0.00 57.85 57.42 1wgd n ARG 77 Cb 0.00 0.35 -0.09 0.00 -0.00 0.00 0.00 32.46 32.71 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 -7.13 -0.18 -0.25 2.89 3.76 0.48 -4.87 115.29 109.98 1wgd s HIS 78 Ca 0.02 0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 55.24 1wgd s HIS 78 Cb -0.00 0.08 0.01 0.00 1.11 0.00 0.00 32.58 33.77 1wgd s HIS 78 CO 0.02 -0.31 -0.01 0.08 -0.85 0.00 0.00 174.74 173.67 1wgd s VAL 79 N -0.95 3.40 0.43 -0.90 1.01 -1.26 0.42 120.40 122.55 1wgd s VAL 79 Ca -0.10 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.22 1wgd s VAL 79 Cb -0.05 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1wgd s VAL 79 CO 0.03 0.24 0.33 -0.76 0.00 0.00 0.00 175.10 174.93 1wgd s LEU 80 N 1.43 3.25 -0.32 3.92 2.01 0.36 -4.29 118.68 125.04 1wgd s LEU 80 Ca 0.03 -0.88 -0.02 0.00 0.01 0.00 0.00 54.13 53.27 1wgd s LEU 80 Cb -0.16 -1.80 0.11 0.00 0.01 0.00 0.00 46.19 44.35 1wgd s LEU 80 CO -0.02 -0.67 0.15 -1.00 1.01 0.00 0.00 176.35 175.82 1wgd s HIS 81 N -2.54 0.97 -0.53 0.29 3.76 0.15 0.13 115.29 117.52 1wgd s HIS 81 Ca 0.45 -1.43 -0.23 0.00 -0.15 0.00 0.00 55.06 53.70 1wgd s HIS 81 Cb -0.01 -1.24 0.05 0.00 1.11 0.00 0.00 32.58 32.48 1wgd s HIS 81 CO 0.26 -0.84 0.84 -1.17 -0.85 0.00 0.00 174.74 172.98 1wgd s LEU 82 N 1.59 4.37 0.05 0.89 2.96 -1.12 -1.42 118.68 126.00 1wgd s LEU 82 Ca 0.12 -0.50 -0.19 0.00 -0.22 0.00 0.00 54.13 53.34 1wgd s LEU 82 Cb -0.19 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.72 1wgd s LEU 82 CO -0.22 -1.11 0.55 -0.69 -1.32 0.00 0.00 176.35 173.56 1wgd s VAL 83 N 3.52 4.80 0.10 1.68 1.01 0.35 -4.83 120.40 127.02 1wgd s VAL 83 Ca 0.26 1.17 -0.24 0.00 0.00 0.00 0.00 61.98 63.17 1wgd s VAL 83 Cb -0.14 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 32.29 1wgd s VAL 83 CO 0.17 0.54 0.73 0.00 0.00 0.00 0.00 175.10 176.55 1wgd n ASN 85 N 2.14 0.33 -3.69 0.00 2.85 -1.26 -4.98 115.26 110.65 1wgd n ASN 85 Ca -0.05 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.31 1wgd n ASN 85 Cb 0.50 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.41 1wgd n ASN 85 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wgd s VAL 86 N 2.15 -0.19 0.94 3.44 0.11 -1.26 -5.08 120.40 120.50 1wgd s VAL 86 Ca 0.00 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.05 1wgd s VAL 86 Cb 0.00 -0.59 0.21 0.00 -1.53 0.00 0.00 36.38 34.47 1wgd s VAL 86 CO 0.00 0.05 1.27 2.29 -3.33 0.00 0.00 175.10 175.39 1wgd n LYS 87 N 4.59 -1.02 -0.03 1.54 0.00 -1.26 -5.05 118.16 116.93 1wgd n LYS 87 Ca -0.19 -2.28 -0.04 0.00 -0.00 0.00 0.00 58.31 55.80 1wgd n LYS 87 Cb 0.53 -1.22 -0.02 0.00 -0.00 0.00 0.00 35.03 34.33 1wgd n LYS 87 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wgd n SER 88 N -3.63 1.92 -4.66 -5.58 2.88 -1.26 -5.02 113.62 98.27 1wgd n SER 88 Ca 0.17 0.02 -0.48 0.00 -1.33 0.00 0.00 58.87 57.25 1wgd n SER 88 Cb 0.59 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.89 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 2.96 1.10 0.16 0.46 0.00 -1.26 -4.91 105.19 103.69 1wgd n GLY 89 Ca -0.09 0.71 -0.06 0.00 0.00 0.00 0.00 46.02 46.57 1wgd n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgd h PRO 90 N 6.42 -0.28 -4.34 1.61 0.13 -2.06 -3.47 132.00 130.00 1wgd h PRO 90 Ca -0.46 0.02 -0.28 0.00 -0.87 0.00 0.00 66.00 64.41 1wgd h PRO 90 Cb 1.27 0.06 -0.24 0.00 0.13 0.00 0.00 31.00 32.22 1wgd h PRO 90 CO 0.89 -0.09 -0.74 0.45 -0.23 0.00 0.00 178.00 178.28 1wgd s SER 91 N -5.27 0.63 0.21 1.44 0.15 -1.26 -5.05 113.70 104.56 1wgd s SER 91 Ca -0.07 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1wgd s SER 91 Cb 0.00 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 1wgd s SER 91 CO 0.22 -0.11 0.00 -1.20 1.20 0.00 0.00 173.24 173.36 1wgd n SER 92 N 2.12 0.06 0.00 5.45 7.64 -1.26 -5.24 113.62 122.38 1wgd n SER 92 Ca -0.19 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.05 1wgd n SER 92 Cb 0.56 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64