#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 -0.64 -0.30 1.61 0.15 -1.26 -5.15 113.70 108.11 1wgd s SER 2 Ca 0.00 0.66 -0.02 0.00 0.70 0.00 0.00 55.95 57.29 1wgd s SER 2 Cb 0.00 0.54 0.19 0.00 -1.71 0.00 0.00 66.02 65.03 1wgd s SER 2 CO 0.00 -0.62 0.70 -0.55 1.20 0.00 0.00 173.24 173.97 1wgd s SER 3 N -1.29 -1.23 0.00 5.45 0.15 -1.26 -5.15 113.70 110.37 1wgd s SER 3 Ca -0.10 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.15 1wgd s SER 3 Cb -0.00 1.96 0.00 0.00 -1.71 0.00 0.00 66.02 66.27 1wgd s SER 3 CO 0.08 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1wgd n GLY 4 N 5.42 2.99 1.43 9.45 0.00 -1.26 -5.15 105.19 118.08 1wgd n GLY 4 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -7.76 -0.02 1.61 7.64 -1.26 -5.01 113.62 108.83 1wgd n SER 5 Ca 0.00 1.06 -0.01 0.00 1.01 0.00 0.00 58.87 60.93 1wgd n SER 5 Cb 0.00 -3.82 -0.00 0.00 -1.01 0.00 0.00 64.21 59.38 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 -0.05 0.34 0.00 6.43 2.88 -1.26 -5.12 113.62 116.85 1wgd n SER 6 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1wgd n SER 6 Cb 0.00 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 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 1.56 0.39 3.67 0.46 0.00 -1.26 -4.82 105.19 105.20 1wgd n GLY 7 Ca -0.02 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 0.00 1.84 -0.23 1.61 -7.23 -1.26 -4.88 120.40 110.26 1wgd s VAL 8 Ca 0.00 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1wgd s VAL 8 Cb 0.00 -2.80 0.02 0.00 0.56 0.00 0.00 36.38 34.16 1wgd s VAL 8 CO 0.00 0.00 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.80 1wgd s THR 9 N -2.74 2.69 -0.28 5.32 2.01 -1.26 -1.73 115.64 119.65 1wgd s THR 9 Ca 0.29 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1wgd s THR 9 Cb 0.07 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.24 1wgd s THR 9 CO 0.15 0.31 0.20 -0.76 -0.69 0.00 0.00 174.62 173.83 1wgd s LEU 10 N 1.33 4.05 -0.62 4.42 1.43 0.55 -1.06 118.68 128.77 1wgd s LEU 10 Ca 0.02 -0.02 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1wgd s LEU 10 Cb -0.15 -2.13 0.11 0.00 0.03 0.00 0.00 46.19 44.05 1wgd s LEU 10 CO -0.07 -0.06 0.72 -0.76 0.23 0.00 0.00 176.35 176.41 1wgd s LEU 11 N 1.77 5.52 -0.58 1.79 1.43 0.54 -1.48 118.68 127.67 1wgd s LEU 11 Ca 0.07 -1.58 -0.28 0.00 -1.03 0.00 0.00 54.13 51.31 1wgd s LEU 11 Cb -0.16 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1wgd s LEU 11 CO 0.11 -1.06 1.36 -0.69 0.23 0.00 0.00 176.35 176.30 1wgd s VAL 12 N 2.45 3.83 0.43 -1.59 1.01 0.30 0.19 120.40 127.02 1wgd s VAL 12 Ca 0.12 0.71 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1wgd s VAL 12 Cb -0.23 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.62 1wgd s VAL 12 CO 0.04 -1.25 0.63 -0.54 0.00 0.00 0.00 175.10 173.97 1wgd s LYS 13 N 5.40 3.03 -0.27 2.72 1.02 0.33 -1.31 119.74 130.66 1wgd s LYS 13 Ca 0.49 -0.66 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 1wgd s LYS 13 Cb -0.10 -2.62 0.08 0.00 -0.52 0.00 0.00 37.83 34.67 1wgd s LYS 13 CO 0.24 -0.22 0.05 -1.12 -0.92 0.00 0.00 175.35 173.38 1wgd s SER 14 N -4.22 3.82 -0.69 2.83 0.01 -1.26 -2.20 113.70 111.98 1wgd s SER 14 Ca 0.48 -1.41 -0.06 0.00 1.31 0.00 0.00 55.95 56.27 1wgd s SER 14 Cb -0.10 -0.95 -0.13 0.00 0.21 0.00 0.00 66.02 65.06 1wgd s SER 14 CO 0.36 -0.35 2.64 -0.81 0.41 0.00 0.00 173.24 175.49 1wgd n PRO 15 N 4.80 2.23 -1.18 12.44 -0.04 -1.26 -2.82 135.00 149.16 1wgd n PRO 15 Ca -0.05 -1.33 -0.02 0.00 -0.04 0.00 0.00 63.50 62.06 1wgd n PRO 15 Cb 0.44 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.36 -0.49 -3.87 3.54 5.03 -1.26 -5.02 115.26 116.55 1wgd n ASN 16 Ca 0.48 -1.09 -0.33 0.00 0.87 0.00 0.00 54.58 54.51 1wgd n ASN 16 Cb 0.40 0.19 0.01 0.00 -1.02 0.00 0.00 39.78 39.35 1wgd n ASN 16 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 1wgd n GLN 17 N -0.24 -0.67 0.00 3.52 7.27 -1.13 -4.89 117.38 121.24 1wgd n GLN 17 Ca -0.10 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1wgd n GLN 17 Cb 0.52 -1.81 0.00 0.00 2.41 0.00 0.00 30.24 31.36 1wgd n GLN 17 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1wgd n ARG 18 N -3.61 0.00 0.00 3.69 0.63 -1.26 -5.01 116.66 111.10 1wgd n ARG 18 Ca -0.15 0.49 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1wgd n ARG 18 Cb 0.50 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.32 1wgd n ARG 18 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1wgd n HIS 19 N -1.96 0.00 -1.30 -0.14 8.25 -1.26 -5.15 115.22 113.66 1wgd n HIS 19 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wgd n HIS 19 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1wgd n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wgd n ARG 20 N 0.00 -0.05 -4.29 -0.41 3.00 -1.26 -4.82 116.66 108.83 1wgd n ARG 20 Ca 0.00 0.04 -0.23 0.00 -0.01 0.00 0.00 57.85 57.65 1wgd n ARG 20 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 32.46 32.32 1wgd n ARG 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1wgd s ASP 21 N -3.91 4.55 -0.25 0.55 1.01 -1.26 -4.70 116.67 112.65 1wgd s ASP 21 Ca 0.00 -0.65 0.03 0.00 0.71 0.00 0.00 52.55 52.64 1wgd s ASP 21 Cb 0.00 -0.84 0.06 0.00 1.01 0.00 0.00 42.92 43.15 1wgd s ASP 21 CO 0.00 -0.01 -0.11 -0.22 0.21 0.00 0.00 175.17 175.04 1wgd s LEU 22 N -3.68 3.34 -0.22 1.23 2.96 -0.43 -4.96 118.68 116.93 1wgd s LEU 22 Ca 0.32 -1.35 -0.08 0.00 -0.22 0.00 0.00 54.13 52.80 1wgd s LEU 22 Cb -0.06 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1wgd s LEU 22 CO 0.20 -0.18 0.08 -0.70 -1.32 0.00 0.00 176.35 174.43 1wgd s GLU 23 N 1.12 3.86 0.25 1.98 -6.30 -1.26 0.11 118.70 118.47 1wgd s GLU 23 Ca -0.08 -0.39 -0.01 0.00 -2.50 0.00 0.00 54.97 51.99 1wgd s GLU 23 Cb -0.20 -3.30 -0.03 0.00 0.00 0.00 0.00 34.13 30.61 1wgd s GLU 23 CO -0.05 0.07 0.24 -0.48 0.02 0.00 0.00 175.26 175.06 1wgd s LEU 24 N 0.94 1.17 0.84 2.70 2.34 -0.55 -4.96 118.68 121.16 1wgd s LEU 24 Ca 0.04 -1.42 -0.12 0.00 0.06 0.00 0.00 54.13 52.69 1wgd s LEU 24 Cb -0.14 0.70 0.10 0.00 -0.56 0.00 0.00 46.19 46.30 1wgd s LEU 24 CO 0.03 -0.97 1.17 -0.55 -1.06 0.00 0.00 176.35 174.96 1wgd s SER 25 N -3.20 3.50 0.06 1.48 0.15 -1.26 -0.33 113.70 114.09 1wgd s SER 25 Ca 0.36 2.23 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1wgd s SER 25 Cb 0.04 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1wgd s SER 25 CO 0.16 -2.72 0.00 0.61 1.20 0.00 0.00 173.24 172.49 1wgd n GLY 26 N 0.17 -0.04 1.86 9.45 0.00 -0.71 -4.51 105.19 111.41 1wgd n GLY 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.17 -8.88 0.10 1.61 -0.08 -1.26 -4.33 116.55 100.54 1wgd n ASP 27 Ca 0.00 1.29 0.12 0.00 -1.51 0.00 0.00 54.79 54.69 1wgd n ASP 27 Cb 0.24 -4.79 0.45 0.00 2.34 0.00 0.00 41.12 39.36 1wgd n ASP 27 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wgd n ARG 28 N 1.03 0.20 -0.43 -0.67 1.74 -1.26 -2.29 116.66 114.98 1wgd n ARG 28 Ca 0.00 0.29 0.11 0.00 -0.77 0.00 0.00 57.85 57.49 1wgd n ARG 28 Cb 0.00 -1.80 0.33 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.67 2.48 0.00 -0.13 0.00 -1.26 -0.72 105.19 106.23 1wgd n GLY 29 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 1.53 -3.41 -3.73 1.61 7.02 -0.97 -4.96 117.44 114.54 1wgd n TRP 30 Ca 0.25 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.60 1wgd n TRP 30 Cb 0.68 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.43 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 -1.00 -0.24 0.12 -0.99 0.01 -1.26 -3.74 113.70 106.59 1wgd s SER 31 Ca 0.00 0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 1wgd s SER 31 Cb 0.00 0.38 -0.05 0.00 0.21 0.00 0.00 66.02 66.55 1wgd s SER 31 CO 0.00 -0.16 1.40 0.58 0.41 0.00 0.00 173.24 175.47 1wgd h VAL 32 N 5.86 0.00 -1.00 3.43 2.07 -1.44 1.73 116.25 126.90 1wgd h VAL 32 Ca -0.41 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.34 1wgd h VAL 32 Cb 1.16 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1wgd h VAL 32 CO 0.38 0.00 0.61 1.23 0.02 0.00 0.00 177.57 179.82 1wgd h GLY 33 N -0.02 1.71 0.56 2.17 0.00 -1.63 -0.52 103.07 105.34 1wgd h GLY 33 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1wgd h GLY 33 CO -0.67 -0.14 -0.07 0.84 0.00 0.00 0.00 176.54 176.50 1wgd h HIS 34 N 0.63 -0.18 -0.62 5.60 6.17 0.69 -3.19 115.15 124.26 1wgd h HIS 34 Ca 0.60 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 61.74 1wgd h HIS 34 Cb 1.11 0.06 -0.09 0.00 2.52 0.00 0.00 27.41 31.01 1wgd h HIS 34 CO -0.00 0.22 -0.52 1.25 0.71 0.00 0.00 177.93 179.58 1wgd h LEU 35 N -0.63 -1.82 -0.59 0.26 5.85 0.36 -0.03 115.31 118.70 1wgd h LEU 35 Ca -0.02 0.26 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1wgd h LEU 35 Cb 0.48 0.78 -0.07 0.00 0.37 0.00 0.00 40.66 42.21 1wgd h LEU 35 CO 0.03 -0.29 -0.35 0.29 -0.34 0.00 0.00 178.44 177.78 1wgd n LYS 36 N -5.09 -0.26 -0.17 1.25 5.02 -0.54 0.12 118.16 118.50 1wgd n LYS 36 Ca -0.01 1.10 -0.10 0.00 -2.02 0.00 0.00 58.31 57.27 1wgd n LYS 36 Cb 0.28 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.08 -0.49 -0.76 7.82 0.00 -1.05 0.61 119.26 125.48 1wgd h ALA 37 Ca 0.09 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1wgd h ALA 37 Cb 0.24 0.99 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1wgd h ALA 37 CO -0.55 -0.90 0.29 1.25 0.00 0.00 0.00 179.25 179.34 1wgd h HIS 38 N -0.30 0.50 0.75 0.00 -0.00 0.16 -1.59 115.15 114.65 1wgd h HIS 38 Ca 0.14 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1wgd h HIS 38 Cb 0.58 -0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1wgd h HIS 38 CO -0.69 0.04 -0.46 -0.07 -0.00 0.00 0.00 177.93 176.75 1wgd h LEU 39 N 0.43 -1.16 -1.78 0.26 3.38 0.50 -1.26 115.31 115.68 1wgd h LEU 39 Ca 0.42 0.06 0.52 0.00 0.09 0.00 0.00 57.88 58.98 1wgd h LEU 39 Cb 0.65 0.34 -0.08 0.00 0.09 0.00 0.00 40.66 41.66 1wgd h LEU 39 CO -0.42 -0.71 1.27 -0.24 0.09 0.00 0.00 178.44 178.43 1wgd n SER 40 N -5.60 0.02 0.06 -0.43 2.88 0.17 0.18 113.62 110.90 1wgd n SER 40 Ca -0.14 0.95 -0.12 0.00 -1.33 0.00 0.00 58.87 58.23 1wgd n SER 40 Cb 0.48 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.21 0.00 -1.46 1.12 -0.84 -3.12 114.38 109.87 1wgd h ARG 41 Ca 0.86 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.75 1wgd h ARG 41 Cb 3.41 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 33.42 1wgd h ARG 41 CO -0.05 0.22 0.00 -0.39 -3.11 0.00 0.00 179.97 176.64 1wgd h VAL 42 N -0.80 0.00 -3.37 0.20 -1.51 0.22 -3.43 116.25 107.57 1wgd h VAL 42 Ca -0.02 -0.42 -0.58 0.00 -1.23 0.00 0.00 66.70 64.44 1wgd h VAL 42 Cb 0.53 1.30 -0.08 0.00 -2.13 0.00 0.00 31.29 30.91 1wgd h VAL 42 CO 0.04 0.00 0.18 -0.47 -1.23 0.00 0.00 177.57 176.08 1wgd s TYR 43 N -3.39 3.44 -0.74 5.19 5.04 0.48 -4.99 117.35 122.38 1wgd s TYR 43 Ca 0.04 1.10 -0.26 0.00 -2.44 0.00 0.00 57.07 55.51 1wgd s TYR 43 Cb 0.09 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.56 1wgd s TYR 43 CO 0.49 -0.11 1.59 -1.25 -1.34 0.00 0.00 175.55 174.94 1wgd s PRO 44 N 1.64 2.95 0.00 4.97 0.04 -1.26 -3.01 135.00 140.34 1wgd s PRO 44 Ca 0.34 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.34 1wgd s PRO 44 Cb -0.16 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.88 1wgd s PRO 44 CO 0.13 -2.52 0.00 -0.85 0.04 0.00 0.00 177.00 173.80 1wgd n GLU 45 N 9.19 0.00 -3.22 4.56 0.28 -1.26 -5.00 120.64 125.19 1wgd n GLU 45 Ca 0.17 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.05 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 -2.04 0.00 3.44 3.00 -1.16 -5.02 116.66 114.87 1wgd n ARG 46 Ca 0.00 0.99 0.00 0.00 -0.01 0.00 0.00 57.85 58.83 1wgd n ARG 46 Cb 0.00 -5.79 0.00 0.00 0.00 0.00 0.00 32.46 26.67 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 -2.95 0.66 -4.23 5.56 -0.04 -1.26 -5.08 135.00 127.65 1wgd n PRO 47 Ca -0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.12 1wgd n PRO 47 Cb 0.60 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.96 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 2.19 0.22 0.54 1.81 -1.26 -4.91 118.95 116.85 1wgd s ARG 48 Ca 0.00 -1.10 0.09 0.00 -1.72 0.00 0.00 55.73 53.00 1wgd s ARG 48 Cb 0.00 -2.29 0.15 0.00 -0.45 0.00 0.00 34.95 32.36 1wgd s ARG 48 CO 0.00 0.48 1.49 -1.00 -0.68 0.00 0.00 175.30 175.59 1wgd h PRO 49 N 3.22 0.01 -0.86 3.54 0.13 -1.91 -1.97 132.00 134.17 1wgd h PRO 49 Ca -0.48 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1wgd h PRO 49 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 1wgd h PRO 49 CO 0.54 0.76 0.10 0.39 -0.23 0.00 0.00 178.00 179.56 1wgd n GLU 50 N -3.65 2.53 0.00 0.86 -0.58 -1.26 -3.97 120.64 114.57 1wgd n GLU 50 Ca -0.01 -1.54 0.00 0.00 -0.42 0.00 0.00 57.16 55.20 1wgd n GLU 50 Cb 0.73 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.12 0.04 -4.57 1.62 8.00 -1.12 -5.05 116.55 115.59 1wgd n ASP 51 Ca 0.19 0.00 -0.65 0.00 0.71 0.00 0.00 54.79 55.04 1wgd n ASP 51 Cb 0.83 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.83 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 -2.71 0.05 -3.06 -1.24 6.02 -0.76 -4.70 117.38 110.98 1wgd n GLN 52 Ca 0.00 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.58 1wgd n GLN 52 Cb 0.22 -1.53 -0.06 0.00 1.02 0.00 0.00 30.24 29.89 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 4.13 3.25 -0.13 -1.09 0.52 -0.96 -4.94 118.95 119.73 1wgd s ARG 53 Ca 1.10 -0.49 -0.18 0.00 -0.52 0.00 0.00 55.73 55.64 1wgd s ARG 53 Cb -1.48 -4.01 -0.04 0.00 0.52 0.00 0.00 34.95 29.94 1wgd s ARG 53 CO 0.75 -1.17 0.46 -0.51 0.02 0.00 0.00 175.30 174.86 1wgd s LEU 54 N 3.00 4.26 -0.04 2.53 1.02 -1.26 -0.58 118.68 127.61 1wgd s LEU 54 Ca 0.22 0.78 0.00 0.00 0.02 0.00 0.00 54.13 55.15 1wgd s LEU 54 Cb -0.15 -2.67 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1wgd s LEU 54 CO 0.17 -0.00 -0.02 -0.63 0.02 0.00 0.00 176.35 175.89 1wgd s ILE 55 N 0.67 0.39 -0.39 -0.59 1.09 -0.47 0.29 121.20 122.19 1wgd s ILE 55 Ca 0.25 -0.01 0.03 0.00 -1.10 0.00 0.00 60.65 59.82 1wgd s ILE 55 Cb -0.15 -0.47 0.11 0.00 -1.06 0.00 0.00 42.46 40.89 1wgd s ILE 55 CO 0.10 0.21 0.12 -0.47 -0.10 0.00 0.00 174.94 174.79 1wgd s TYR 56 N 1.14 3.36 0.00 3.97 5.04 0.88 0.24 117.35 131.98 1wgd s TYR 56 Ca -0.08 -2.92 0.00 0.00 -2.44 0.00 0.00 57.07 51.64 1wgd s TYR 56 Cb -0.14 -2.75 0.00 0.00 0.35 0.00 0.00 41.96 39.42 1wgd s TYR 56 CO -0.01 -0.88 0.00 0.45 -1.34 0.00 0.00 175.55 173.76 1wgd n SER 57 N 3.98 -2.52 0.00 4.32 2.88 -1.26 -3.12 113.62 117.90 1wgd n SER 57 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1wgd n SER 57 Cb 0.39 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.84 1.06 3.69 0.46 0.00 -1.26 -5.07 105.19 101.23 1wgd n GLY 58 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 4.36 0.46 1.61 -2.85 -1.18 -4.96 119.74 117.19 1wgd s LYS 59 Ca 0.00 1.62 -0.21 0.00 -1.00 0.00 0.00 55.97 56.38 1wgd s LYS 59 Cb 0.00 -3.56 -0.08 0.00 -2.06 0.00 0.00 37.83 32.13 1wgd s LYS 59 CO 0.00 -0.43 1.05 -1.17 0.10 0.00 0.00 175.35 174.90 1wgd s LEU 60 N 2.22 3.92 0.27 2.77 2.96 -1.26 -0.09 118.68 129.47 1wgd s LEU 60 Ca 0.54 1.98 -0.01 0.00 -0.22 0.00 0.00 54.13 56.43 1wgd s LEU 60 Cb -0.23 -4.45 -0.04 0.00 0.50 0.00 0.00 46.19 41.96 1wgd s LEU 60 CO 0.21 -0.73 0.47 -0.76 -1.32 0.00 0.00 176.35 174.22 1wgd s LEU 61 N -3.26 4.13 0.00 -0.68 1.43 0.14 -4.89 118.68 115.55 1wgd s LEU 61 Ca 0.65 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 1wgd s LEU 61 Cb -0.19 -3.27 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1wgd s LEU 61 CO 0.23 -0.16 0.00 0.18 0.23 0.00 0.00 176.35 176.83 1wgd n LEU 62 N -1.12 0.00 0.00 1.79 4.77 -1.26 -4.70 117.00 116.48 1wgd n LEU 62 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1wgd n LEU 62 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1wgd n LEU 62 CO 0.48 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.87 1wgd n ASP 63 N 0.00 0.00 0.00 -1.43 -0.08 -1.26 -4.40 116.55 109.38 1wgd n ASP 63 Ca 0.00 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.38 1wgd n ASP 63 Cb 0.00 0.36 0.49 0.00 2.34 0.00 0.00 41.12 44.31 1wgd n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgd n HIS 64 N -2.31 0.00 -2.46 -0.67 1.44 -1.26 -2.12 115.22 107.84 1wgd n HIS 64 Ca 0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1wgd n HIS 64 Cb 0.00 -0.37 -0.04 0.00 0.12 0.00 0.00 29.99 29.70 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 -2.74 4.45 0.34 -1.40 -1.52 -1.26 -4.94 119.66 112.60 1wgd s GLN 65 Ca 0.16 1.74 0.01 0.00 -1.95 0.00 0.00 55.36 55.33 1wgd s GLN 65 Cb 0.14 -2.97 -0.03 0.00 -0.22 0.00 0.00 33.01 29.93 1wgd s GLN 65 CO 0.34 0.06 0.53 0.00 -0.25 0.00 0.00 175.29 175.97 1wgd h LEU 67 N 0.77 0.32 -1.82 0.00 3.38 -1.64 -1.43 115.31 114.89 1wgd h LEU 67 Ca -0.49 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 57.33 1wgd h LEU 67 Cb 1.23 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1wgd h LEU 67 CO 0.60 1.17 0.43 0.08 0.09 0.00 0.00 178.44 180.81 1wgd h ARG 68 N 0.10 0.18 0.00 1.13 0.11 -1.19 0.37 114.38 115.08 1wgd h ARG 68 Ca -0.08 -0.01 -0.05 0.00 0.10 0.00 0.00 59.98 59.94 1wgd h ARG 68 Cb 1.72 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.76 1wgd h ARG 68 CO 0.16 0.12 -0.74 -0.25 0.10 0.00 0.00 179.97 179.36 1wgd n ASP 69 N -4.42 1.83 -0.05 0.08 8.00 -1.19 -4.54 116.55 116.27 1wgd n ASP 69 Ca 0.12 0.57 -0.05 0.00 0.71 0.00 0.00 54.79 56.13 1wgd n ASP 69 Cb 0.57 -0.88 -0.04 0.00 -0.02 0.00 0.00 41.12 40.76 1wgd n ASP 69 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1wgd h LEU 70 N -1.00 -0.68 -9.78 0.64 3.38 -1.07 -3.39 115.31 103.41 1wgd h LEU 70 Ca -0.08 0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.45 1wgd h LEU 70 Cb 0.72 0.28 0.07 0.00 0.09 0.00 0.00 40.66 41.82 1wgd h LEU 70 CO -0.05 -0.15 0.79 -0.76 0.09 0.00 0.00 178.44 178.36 1wgd s LEU 71 N -7.19 4.37 0.00 1.67 1.43 0.13 -5.01 118.68 114.08 1wgd s LEU 71 Ca -0.05 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.82 1wgd s LEU 71 Cb 0.03 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1wgd s LEU 71 CO 0.22 -0.76 0.00 -0.81 0.23 0.00 0.00 176.35 175.23 1wgd n PRO 72 N 2.07 -0.17 -0.29 1.29 -0.04 -1.26 -4.70 135.00 131.90 1wgd n PRO 72 Ca 0.06 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1wgd n PRO 72 Cb 0.39 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 33.97 1wgd n PRO 72 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1wgd h LYS 73 N 0.00 0.01 0.00 0.54 2.10 -1.94 -3.44 116.57 113.83 1wgd h LYS 73 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1wgd h LYS 73 Cb 0.00 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1wgd h LYS 73 CO 0.00 0.01 0.00 0.00 -2.00 0.00 0.00 179.45 177.46 1wgd n GLN 74 N -5.51 0.00 -3.85 0.07 10.64 -1.26 -5.06 117.38 112.41 1wgd n GLN 74 Ca 0.13 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.98 1wgd n GLN 74 Cb 0.44 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.83 1wgd n GLN 74 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1wgd n GLU 75 N -2.56 -0.91 -0.71 2.61 -0.58 -1.26 -4.46 120.64 112.77 1wgd n GLU 75 Ca 0.00 0.38 0.10 0.00 -0.42 0.00 0.00 57.16 57.22 1wgd n GLU 75 Cb 0.00 -2.06 -0.02 0.00 -0.57 0.00 0.00 31.44 28.78 1wgd n GLU 75 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wgd n LYS 76 N -3.44 -1.42 -1.16 3.49 4.01 -1.26 -4.68 118.16 113.69 1wgd n LYS 76 Ca -0.21 0.94 -0.37 0.00 -0.51 0.00 0.00 58.31 58.16 1wgd n LYS 76 Cb 0.58 -1.74 0.05 0.00 -0.51 0.00 0.00 35.03 33.41 1wgd n LYS 76 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1wgd n ARG 77 N -2.38 0.09 -3.36 1.97 1.74 -1.26 -4.90 116.66 108.56 1wgd n ARG 77 Ca 0.00 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.74 1wgd n ARG 77 Cb 0.32 -1.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 1wgd n ARG 77 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wgd s HIS 78 N -1.99 3.24 -0.33 -1.55 3.76 -0.23 -5.00 115.29 113.18 1wgd s HIS 78 Ca 0.55 0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 55.74 1wgd s HIS 78 Cb -0.34 -2.62 0.01 0.00 1.11 0.00 0.00 32.58 30.73 1wgd s HIS 78 CO 0.68 -0.28 0.17 0.08 -0.85 0.00 0.00 174.74 174.54 1wgd s VAL 79 N 2.12 4.57 0.39 -0.90 1.01 -1.26 0.20 120.40 126.52 1wgd s VAL 79 Ca 0.16 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.61 1wgd s VAL 79 Cb -0.16 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1wgd s VAL 79 CO 0.10 -0.05 0.24 -0.76 0.00 0.00 0.00 175.10 174.64 1wgd s LEU 80 N 1.59 3.30 -0.32 3.92 2.01 0.50 -4.50 118.68 125.17 1wgd s LEU 80 Ca 0.03 -0.83 -0.01 0.00 0.01 0.00 0.00 54.13 53.34 1wgd s LEU 80 Cb -0.18 -1.80 0.10 0.00 0.01 0.00 0.00 46.19 44.32 1wgd s LEU 80 CO 0.06 -0.49 0.11 -1.00 1.01 0.00 0.00 176.35 176.04 1wgd s HIS 81 N -2.48 1.67 -0.31 0.29 3.76 0.14 0.12 115.29 118.48 1wgd s HIS 81 Ca 0.42 -1.77 -0.18 0.00 -0.15 0.00 0.00 55.06 53.39 1wgd s HIS 81 Cb -0.01 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.97 1wgd s HIS 81 CO 0.25 -0.87 0.49 -1.17 -0.85 0.00 0.00 174.74 172.59 1wgd s LEU 82 N 1.52 4.21 -0.17 0.89 2.96 -0.94 -1.37 118.68 125.78 1wgd s LEU 82 Ca 0.11 0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 54.08 1wgd s LEU 82 Cb -0.18 -2.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.88 1wgd s LEU 82 CO -0.23 -0.38 0.23 -0.69 -1.32 0.00 0.00 176.35 173.97 1wgd s VAL 83 N 2.32 5.35 0.17 1.68 1.01 0.26 -4.68 120.40 126.50 1wgd s VAL 83 Ca 0.19 0.41 -0.30 0.00 0.00 0.00 0.00 61.98 62.28 1wgd s VAL 83 Cb -0.16 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1wgd s VAL 83 CO 0.11 0.42 1.04 0.00 0.00 0.00 0.00 175.10 176.67 1wgd n ASN 85 N 2.35 0.00 -2.61 0.00 6.94 -1.26 -4.99 115.26 115.69 1wgd n ASN 85 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.58 1wgd n ASN 85 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1wgd n ASN 85 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1wgd n VAL 86 N 0.00 0.00 -2.86 3.53 0.24 -1.26 -5.01 118.33 112.97 1wgd n VAL 86 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.05 1wgd n VAL 86 Cb 0.00 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.04 1wgd n VAL 86 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1wgd n LYS 87 N 0.00 2.95 -2.96 7.34 2.85 -1.26 -4.99 118.16 122.10 1wgd n LYS 87 Ca 0.00 -4.57 -0.01 0.00 -1.05 0.00 0.00 58.31 52.68 1wgd n LYS 87 Cb 0.00 -2.15 -0.01 0.00 -0.65 0.00 0.00 35.03 32.23 1wgd n LYS 87 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wgd n SER 88 N -0.23 -6.14 -3.96 -5.58 7.64 -1.26 -4.81 113.62 99.27 1wgd n SER 88 Ca 0.31 0.94 -0.36 0.00 1.01 0.00 0.00 58.87 60.77 1wgd n SER 88 Cb 0.49 -3.04 0.03 0.00 -1.01 0.00 0.00 64.21 60.69 1wgd n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgd n GLY 89 N 1.55 -4.14 3.76 0.23 0.00 -1.26 -4.86 105.19 100.47 1wgd n GLY 89 Ca -0.07 -0.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 1wgd n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgd s PRO 90 N -1.66 4.55 -0.27 1.61 0.04 -1.26 -5.04 135.00 132.96 1wgd s PRO 90 Ca 0.44 1.71 -0.09 0.00 0.04 0.00 0.00 61.00 63.10 1wgd s PRO 90 Cb -0.27 -3.05 0.12 0.00 0.04 0.00 0.00 34.50 31.35 1wgd s PRO 90 CO 0.76 0.16 0.59 -1.54 0.04 0.00 0.00 177.00 177.00 1wgd s SER 91 N -1.06 -0.91 0.00 6.66 1.04 -1.26 -4.98 113.70 113.19 1wgd s SER 91 Ca 0.47 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.30 1wgd s SER 91 Cb -0.29 2.04 0.00 0.00 0.10 0.00 0.00 66.02 67.87 1wgd s SER 91 CO 0.37 -0.22 0.00 -1.20 0.98 0.00 0.00 173.24 173.17 1wgd n SER 92 N 5.43 0.00 -0.82 7.02 7.64 -1.26 -5.30 113.62 126.34 1wgd n SER 92 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.90 1wgd n SER 92 Cb 0.49 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.91 1wgd n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64