#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1b n PHE 2 N 0.00 -2.60 -3.67 2.03 3.72 -1.26 -1.02 117.46 114.66 3e1b n PHE 2 Ca 0.00 0.68 -0.23 0.00 -0.05 0.00 0.00 57.45 57.85 3e1b n PHE 2 Cb 0.00 -1.09 -0.17 0.00 -0.94 0.00 0.00 39.48 37.27 3e1b n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3e1b s THR 3 N -0.86 0.03 -0.41 4.37 -4.23 -1.26 -4.42 115.64 108.86 3e1b s THR 3 Ca 0.00 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 60.65 3e1b s THR 3 Cb 0.00 -0.42 0.12 0.00 1.34 0.00 0.00 72.50 73.54 3e1b s THR 3 CO 0.00 0.01 0.17 -0.63 -0.54 0.00 0.00 174.62 173.63 3e1b s ILE 4 N 2.10 1.93 -0.11 2.99 1.01 -0.22 -4.99 121.20 123.90 3e1b s ILE 4 Ca 0.04 -2.54 -0.29 0.00 0.00 0.00 0.00 60.65 57.85 3e1b s ILE 4 Cb -0.14 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3e1b s ILE 4 CO -0.06 -0.75 1.80 0.54 0.00 0.00 0.00 174.94 176.47 3e1b s ASN 5 N 0.52 6.36 0.20 3.58 4.22 -1.26 -0.28 114.94 128.27 3e1b s ASN 5 Ca 0.14 2.11 0.02 0.00 -2.14 0.00 0.00 52.86 52.99 3e1b s ASN 5 Cb -0.22 -2.53 -0.01 0.00 1.28 0.00 0.00 41.25 39.77 3e1b s ASN 5 CO -0.06 -1.20 0.21 0.00 -2.04 0.00 0.00 177.10 174.01 3e1b n ALA 6 N 8.26 0.16 -2.52 3.54 0.00 -1.23 -3.51 120.51 125.21 3e1b n ALA 6 Ca 0.20 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.52 3e1b n ALA 6 Cb 0.43 0.84 -0.10 0.00 0.00 0.00 0.00 19.45 20.63 3e1b n ALA 6 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3e1b s GLU 7 N -2.64 0.55 0.11 0.00 -6.30 -1.11 -4.61 118.70 104.70 3e1b s GLU 7 Ca 0.20 -0.92 -0.31 0.00 -2.50 0.00 0.00 54.97 51.44 3e1b s GLU 7 Cb 0.00 0.20 -0.09 0.00 0.00 0.00 0.00 34.13 34.24 3e1b s GLU 7 CO 0.14 -0.12 1.66 0.08 0.02 0.00 0.00 175.26 177.05 3e1b s VAL 8 N -2.96 2.81 -0.58 3.70 1.01 -1.26 -0.89 120.40 122.23 3e1b s VAL 8 Ca -0.02 0.39 -0.35 0.00 0.00 0.00 0.00 61.98 61.99 3e1b s VAL 8 Cb 0.01 -3.25 -0.18 0.00 0.00 0.00 0.00 36.38 32.96 3e1b s VAL 8 CO -0.06 0.01 2.05 -1.14 0.00 0.00 0.00 175.10 175.95 3e1b n ARG 9 N 5.11 0.00 0.14 2.72 0.63 -0.75 -4.87 116.66 119.64 3e1b n ARG 9 Ca 0.16 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 57.08 3e1b n ARG 9 Cb 0.39 -1.33 0.18 0.00 0.45 0.00 0.00 32.46 32.16 3e1b n ARG 9 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3e1b h LYS 10 N 8.79 0.00 -4.32 -0.14 3.11 -1.92 -3.48 116.57 118.61 3e1b h LYS 10 Ca -0.07 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.48 3e1b h LYS 10 Cb 1.23 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 32.21 3e1b h LYS 10 CO 1.05 0.60 -0.74 -2.00 -2.81 0.00 0.00 179.45 175.55 3e1b s GLU 11 N -3.63 0.41 0.00 1.90 2.12 -1.26 -5.04 118.70 113.21 3e1b s GLU 11 Ca -0.01 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 54.88 3e1b s GLU 11 Cb 0.13 -0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.24 3e1b s GLU 11 CO 0.76 0.06 0.00 0.00 -0.54 0.00 0.00 175.26 175.54 3e1b n GLN 12 N 2.24 0.19 -2.29 4.30 10.64 -1.26 -4.88 117.38 126.32 3e1b n GLN 12 Ca -0.18 -0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.65 3e1b n GLN 12 Cb 0.57 -0.06 -0.01 0.00 -0.86 0.00 0.00 30.24 29.88 3e1b n GLN 12 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3e1b s GLY 13 N -0.03 2.49 0.35 2.61 0.00 -1.26 -4.86 107.32 106.63 3e1b s GLY 13 Ca 0.00 0.68 0.16 0.00 0.00 0.00 0.00 44.72 45.56 3e1b s GLY 13 CO 0.00 1.02 1.58 1.17 0.00 0.00 0.00 173.10 176.86 3e1b n LYS 14 N -1.37 -0.07 0.14 2.90 4.81 -1.26 -0.78 118.16 122.54 3e1b n LYS 14 Ca 0.10 1.41 0.18 0.00 -0.87 0.00 0.00 58.31 59.13 3e1b n LYS 14 Cb 0.52 -2.45 0.77 0.00 0.02 0.00 0.00 35.03 33.89 3e1b n LYS 14 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3e1b h GLY 15 N 0.00 0.00 0.58 3.14 0.00 -2.01 -2.13 103.07 102.65 3e1b h GLY 15 Ca 0.78 0.00 0.17 0.00 0.00 0.00 0.00 47.33 48.28 3e1b h GLY 15 CO -0.81 0.00 0.53 0.00 0.00 0.00 0.00 176.54 176.25 3e1b h ALA 16 N 1.72 2.19 0.08 3.60 0.00 -1.29 -0.31 119.26 125.25 3e1b h ALA 16 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3e1b h ALA 16 Cb 0.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3e1b h ALA 16 CO -0.00 -0.42 -0.24 1.03 0.00 0.00 0.00 179.25 179.62 3e1b h SER 17 N 0.37 -0.68 -0.02 0.00 0.87 -1.61 -0.88 113.55 111.60 3e1b h SER 17 Ca 0.39 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 3e1b h SER 17 Cb 0.98 0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 3e1b h SER 17 CO -0.12 -0.32 0.00 0.03 -0.53 0.00 0.00 176.83 175.89 3e1b h ARG 18 N -0.42 0.03 -0.02 2.24 2.47 -1.65 -3.39 114.38 113.64 3e1b h ARG 18 Ca 0.04 -0.01 -0.25 0.00 -1.26 0.00 0.00 59.98 58.51 3e1b h ARG 18 Cb 0.46 -0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3e1b h ARG 18 CO -0.16 0.24 -0.95 -0.09 0.56 0.00 0.00 179.97 179.57 3e1b h ARG 19 N -0.20 0.67 0.00 0.04 2.43 -0.86 -0.89 114.38 115.57 3e1b h ARG 19 Ca 0.01 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.47 3e1b h ARG 19 Cb 0.23 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3e1b h ARG 19 CO 0.00 1.29 0.00 1.28 -1.51 0.00 0.00 179.97 181.03 3e1b n LEU 20 N -3.92 0.00 -0.01 3.80 4.77 -0.35 -0.73 117.00 120.55 3e1b n LEU 20 Ca -0.11 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.86 3e1b n LEU 20 Cb 0.84 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.91 3e1b n LEU 20 CO 0.54 0.00 -0.58 0.54 -1.33 0.00 0.00 177.39 176.56 3e1b n ARG 21 N -0.83 1.84 0.10 3.23 1.74 -1.06 -3.24 116.66 118.44 3e1b n ARG 21 Ca 0.05 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 3e1b n ARG 21 Cb 0.02 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3e1b n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3e1b h ALA 22 N 0.05 0.58 0.00 7.54 0.00 -0.61 -2.01 119.26 124.81 3e1b h ALA 22 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3e1b h ALA 22 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3e1b h ALA 22 CO -0.00 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.43 3e1b n ALA 23 N -2.21 2.15 -3.74 0.00 0.00 0.09 -4.98 120.51 111.81 3e1b n ALA 23 Ca -0.01 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 3e1b n ALA 23 Cb 0.60 -1.19 0.03 0.00 0.00 0.00 0.00 19.45 18.89 3e1b n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3e1b n ASN 24 N -0.81 -1.21 -1.70 0.00 4.13 -0.76 -5.03 115.26 109.89 3e1b n ASN 24 Ca 0.09 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.50 3e1b n ASN 24 Cb 0.04 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 3e1b n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3e1b n LYS 25 N -4.31 2.10 -4.20 3.52 4.01 -1.24 -4.16 118.16 113.88 3e1b n LYS 25 Ca -0.29 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.32 3e1b n LYS 25 Cb 0.67 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 35.07 3e1b n LYS 25 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3e1b s PHE 26 N -0.31 1.31 -0.70 2.13 2.99 0.90 -4.12 117.98 120.18 3e1b s PHE 26 Ca 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 56.93 56.23 3e1b s PHE 26 Cb 0.00 -0.74 0.04 0.00 0.00 0.00 0.00 43.02 42.33 3e1b s PHE 26 CO 0.00 0.08 1.16 -1.25 -0.00 0.00 0.00 175.22 175.21 3e1b s PRO 27 N -1.72 3.18 0.38 0.24 0.04 -1.25 -1.70 135.00 134.17 3e1b s PRO 27 Ca -0.00 -0.41 0.08 0.00 0.04 0.00 0.00 61.00 60.70 3e1b s PRO 27 Cb -0.10 -4.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 3e1b s PRO 27 CO 0.03 -1.99 0.32 0.00 0.04 0.00 0.00 177.00 175.39 3e1b s ALA 28 N 5.08 3.92 0.25 8.56 0.00 -0.88 -4.26 121.76 134.43 3e1b s ALA 28 Ca 0.31 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.50 3e1b s ALA 28 Cb -0.11 -1.04 -0.05 0.00 0.00 0.00 0.00 23.12 21.91 3e1b s ALA 28 CO 0.14 -0.11 0.05 0.96 0.00 0.00 0.00 175.76 176.80 3e1b s ILE 29 N -2.40 0.79 -0.02 0.00 -4.36 -1.25 -1.45 121.20 112.50 3e1b s ILE 29 Ca 0.44 -2.01 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 3e1b s ILE 29 Cb -0.04 -2.51 -0.00 0.00 1.25 0.00 0.00 42.46 41.16 3e1b s ILE 29 CO 0.27 -0.15 -0.10 -0.63 0.24 0.00 0.00 174.94 174.56 3e1b s ILE 30 N -3.59 0.85 -0.03 8.37 -1.09 0.46 -3.47 121.20 122.70 3e1b s ILE 30 Ca 0.33 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 3e1b s ILE 30 Cb 0.07 -0.74 0.10 0.00 -1.58 0.00 0.00 42.46 40.31 3e1b s ILE 30 CO 0.11 0.25 0.82 -0.72 -1.23 0.00 0.00 174.94 174.18 3e1b s TYR 31 N 0.00 -0.46 0.00 3.97 -0.85 -1.26 -3.35 117.35 115.39 3e1b s TYR 31 Ca -0.00 0.58 0.00 0.00 -0.52 0.00 0.00 57.07 57.13 3e1b s TYR 31 Cb -0.07 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.75 3e1b s TYR 31 CO 0.00 -0.55 0.00 0.41 -1.52 0.00 0.00 175.55 173.89 3e1b n GLY 32 N 0.31 0.03 0.00 5.49 0.00 -1.26 -1.17 105.19 108.59 3e1b n GLY 32 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3e1b n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1b n GLY 33 N 0.42 0.77 0.40 -0.02 0.00 -1.26 -4.98 105.19 100.53 3e1b n GLY 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3e1b n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e1b n LYS 34 N 0.00 0.00 -1.70 1.61 5.02 -1.26 -5.08 118.16 116.75 3e1b n LYS 34 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 3e1b n LYS 34 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 35.03 34.24 3e1b n LYS 34 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3e1b n GLU 35 N -2.51 2.45 -1.88 1.97 0.00 -1.26 -4.97 120.64 114.44 3e1b n GLU 35 Ca 0.00 0.88 -0.41 0.00 0.00 0.00 0.00 57.16 57.63 3e1b n GLU 35 Cb 0.41 -2.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.15 3e1b n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3e1b s ALA 36 N 0.79 2.53 -0.40 -1.84 0.00 -1.26 -4.71 121.76 116.87 3e1b s ALA 36 Ca 0.74 0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 3e1b s ALA 36 Cb -0.59 -4.13 -0.14 0.00 0.00 0.00 0.00 23.12 18.27 3e1b s ALA 36 CO 0.38 -3.16 1.47 -2.30 0.00 0.00 0.00 175.76 172.15 3e1b n PRO 37 N 8.72 0.00 -1.54 0.00 -0.02 -1.26 -4.97 135.00 135.94 3e1b n PRO 37 Ca 0.25 -0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 3e1b n PRO 37 Cb 0.49 -1.05 0.07 0.00 -0.02 0.00 0.00 33.50 32.99 3e1b n PRO 37 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3e1b s LEU 38 N 0.30 2.88 0.05 2.45 1.43 -1.21 -4.83 118.68 119.74 3e1b s LEU 38 Ca 0.53 1.49 -0.10 0.00 -1.03 0.00 0.00 54.13 55.02 3e1b s LEU 38 Cb -0.33 -4.24 0.01 0.00 0.03 0.00 0.00 46.19 41.66 3e1b s LEU 38 CO 0.22 -1.73 0.22 0.00 0.23 0.00 0.00 176.35 175.30 3e1b s ALA 39 N -3.08 -0.41 0.09 4.21 0.00 -1.26 -0.40 121.76 120.90 3e1b s ALA 39 Ca 0.59 -0.28 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 3e1b s ALA 39 Cb -0.14 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.31 3e1b s ALA 39 CO 0.55 -0.40 0.21 0.96 0.00 0.00 0.00 175.76 177.08 3e1b s ILE 40 N -2.81 0.13 -0.47 0.00 -4.36 -0.53 -1.81 121.20 111.35 3e1b s ILE 40 Ca -0.03 -1.09 0.03 0.00 -0.26 0.00 0.00 60.65 59.30 3e1b s ILE 40 Cb 0.00 -1.28 0.15 0.00 1.25 0.00 0.00 42.46 42.58 3e1b s ILE 40 CO -0.05 -0.60 0.30 -1.61 0.24 0.00 0.00 174.94 173.22 3e1b s GLU 41 N -3.73 1.33 0.23 0.37 2.02 -0.07 -2.07 118.70 116.78 3e1b s GLU 41 Ca 0.04 -2.18 0.07 0.00 0.02 0.00 0.00 54.97 52.92 3e1b s GLU 41 Cb 0.04 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 3e1b s GLU 41 CO -0.10 -1.23 0.14 -0.48 0.02 0.00 0.00 175.26 173.61 3e1b s LEU 42 N 0.07 3.69 -0.60 1.80 2.34 -0.69 -2.77 118.68 122.53 3e1b s LEU 42 Ca 0.22 -0.30 -0.26 0.00 0.06 0.00 0.00 54.13 53.85 3e1b s LEU 42 Cb -0.15 -2.24 -0.10 0.00 -0.56 0.00 0.00 46.19 43.14 3e1b s LEU 42 CO -0.07 -0.01 2.43 -0.67 -1.06 0.00 0.00 176.35 176.98 3e1b n ASP 43 N -0.93 2.03 -0.21 1.48 2.03 -1.23 -0.07 116.55 119.65 3e1b n ASP 43 Ca -0.08 -0.74 -0.06 0.00 0.52 0.00 0.00 54.79 54.44 3e1b n ASP 43 Cb 0.57 -1.56 -0.05 0.00 -0.72 0.00 0.00 41.12 39.36 3e1b n ASP 43 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3e1b n HIS 44 N 16.27 -0.22 0.05 -0.67 -0.00 -1.26 -1.44 115.22 127.95 3e1b n HIS 44 Ca 0.41 0.63 -0.12 0.00 -0.00 0.00 0.00 57.72 58.64 3e1b n HIS 44 Cb 0.49 -0.51 -0.08 0.00 -0.00 0.00 0.00 29.99 29.89 3e1b n HIS 44 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 3e1b h ASP 45 N 0.00 -0.04 -0.40 0.26 3.45 -1.91 -0.74 116.42 117.04 3e1b h ASP 45 Ca 0.08 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 3e1b h ASP 45 Cb 0.21 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3e1b h ASP 45 CO -0.48 0.06 0.10 0.11 -1.57 0.00 0.00 179.24 177.47 3e1b h LYS 46 N -0.14 0.72 0.05 3.56 1.57 -1.94 -1.60 116.57 118.79 3e1b h LYS 46 Ca -0.00 -0.14 -0.32 0.00 -1.87 0.00 0.00 60.65 58.31 3e1b h LYS 46 Cb 0.13 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3e1b h LYS 46 CO 0.01 0.66 -1.86 1.55 -0.57 0.00 0.00 179.45 179.24 3e1b n VAL 47 N -4.29 1.66 0.18 0.50 3.14 -0.52 -0.56 118.33 118.45 3e1b n VAL 47 Ca 0.03 -0.74 0.16 0.00 -2.96 0.00 0.00 64.34 60.83 3e1b n VAL 47 Cb 0.22 -1.28 0.77 0.00 -1.06 0.00 0.00 33.84 32.48 3e1b n VAL 47 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 3e1b h MET 48 N 0.03 0.00 0.00 1.45 1.85 -1.16 -2.63 114.93 114.47 3e1b h MET 48 Ca -0.35 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.73 3e1b h MET 48 Cb 2.03 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 34.06 3e1b h MET 48 CO 0.08 0.00 -0.02 -0.97 -0.40 0.00 0.00 176.91 175.60 3e1b h ASN 49 N 0.00 0.00 0.38 1.39 -1.24 -1.31 -3.40 115.58 111.40 3e1b h ASN 49 Ca 0.09 -0.27 0.00 0.00 0.71 0.00 0.00 56.30 56.84 3e1b h ASN 49 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 3e1b h ASN 49 CO -0.00 0.64 0.00 1.15 -1.29 0.00 0.00 177.43 177.93 3e1b n MET 50 N -4.73 0.02 0.11 6.67 0.00 0.28 -3.83 117.12 115.63 3e1b n MET 50 Ca -0.03 0.29 0.07 0.00 0.00 0.00 0.00 57.70 58.03 3e1b n MET 50 Cb 0.13 -1.50 0.39 0.00 0.00 0.00 0.00 33.22 32.24 3e1b n MET 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3e1b n GLN 51 N -1.48 0.09 -0.08 3.17 -0.00 -1.00 -1.67 117.38 116.42 3e1b n GLN 51 Ca 0.03 0.58 0.12 0.00 -0.00 0.00 0.00 57.00 57.73 3e1b n GLN 51 Cb 0.13 -1.80 0.34 0.00 -0.00 0.00 0.00 30.24 28.91 3e1b n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3e1b n ALA 52 N -1.68 2.50 -2.70 2.61 0.00 -1.25 -4.93 120.51 115.06 3e1b n ALA 52 Ca -0.01 -0.63 -0.36 0.00 0.00 0.00 0.00 53.44 52.44 3e1b n ALA 52 Cb 0.03 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.38 3e1b n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3e1b s LYS 53 N -1.80 4.19 0.26 0.00 1.02 -0.67 -5.02 119.74 117.72 3e1b s LYS 53 Ca 0.34 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.27 3e1b s LYS 53 Cb 0.20 -3.47 0.54 0.00 -0.52 0.00 0.00 37.83 34.57 3e1b s LYS 53 CO 0.29 0.17 1.72 0.00 -0.92 0.00 0.00 175.35 176.61 3e1b h ALA 54 N 6.97 1.17 -0.76 5.17 0.00 -1.91 -2.51 119.26 127.40 3e1b h ALA 54 Ca -0.40 0.13 0.17 0.00 0.00 0.00 0.00 54.91 54.81 3e1b h ALA 54 Cb 1.16 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 18.92 3e1b h ALA 54 CO 0.73 -0.24 -0.06 0.93 0.00 0.00 0.00 179.25 180.62 3e1b h GLU 55 N 0.44 0.06 -0.86 0.00 5.08 -1.95 -2.18 114.58 115.18 3e1b h GLU 55 Ca 0.46 -0.00 0.19 0.00 -1.00 0.00 0.00 59.36 59.00 3e1b h GLU 55 Cb 0.74 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.87 3e1b h GLU 55 CO -0.44 0.04 0.37 0.35 -1.00 0.00 0.00 179.01 178.33 3e1b h PHE 56 N 0.06 0.63 0.00 4.33 3.57 -1.75 0.30 116.94 124.08 3e1b h PHE 56 Ca 0.40 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.84 3e1b h PHE 56 Cb 0.69 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 3e1b h PHE 56 CO -0.48 0.01 -0.47 1.88 -2.23 0.00 0.00 178.31 177.02 3e1b h TYR 57 N 0.45 0.00 0.00 0.41 -1.99 -1.55 -3.06 116.97 111.23 3e1b h TYR 57 Ca 0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.24 3e1b h TYR 57 Cb 0.89 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.62 3e1b h TYR 57 CO -0.14 0.47 -0.77 0.43 -0.00 0.00 0.00 178.16 178.15 3e1b n SER 58 N -3.37 1.52 -4.75 3.88 7.64 -0.47 -4.69 113.62 113.38 3e1b n SER 58 Ca 0.01 0.26 -0.40 0.00 1.01 0.00 0.00 58.87 59.75 3e1b n SER 58 Cb 0.64 -0.68 -0.06 0.00 -1.01 0.00 0.00 64.21 63.10 3e1b n SER 58 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3e1b s GLU 59 N -2.49 4.84 -0.22 1.43 0.41 0.93 -4.99 118.70 118.61 3e1b s GLU 59 Ca -0.22 1.48 -0.29 0.00 -0.41 0.00 0.00 54.97 55.52 3e1b s GLU 59 Cb 0.03 -3.28 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 3e1b s GLU 59 CO 0.33 0.51 1.70 0.08 -0.49 0.00 0.00 175.26 177.39 3e1b s VAL 60 N -1.13 3.59 0.15 2.63 1.01 -1.26 -4.48 120.40 120.91 3e1b s VAL 60 Ca 0.41 0.65 0.07 0.00 0.00 0.00 0.00 61.98 63.11 3e1b s VAL 60 Cb -0.26 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3e1b s VAL 60 CO 0.32 -0.27 -0.15 -1.48 0.00 0.00 0.00 175.10 173.51 3e1b s LEU 61 N 5.53 2.45 -0.90 3.92 0.05 -0.74 -4.61 118.68 124.37 3e1b s LEU 61 Ca 0.75 -0.88 -0.24 0.00 0.05 0.00 0.00 54.13 53.81 3e1b s LEU 61 Cb -0.26 -0.65 0.04 0.00 -2.05 0.00 0.00 46.19 43.28 3e1b s LEU 61 CO 0.31 -0.13 1.37 -0.89 -0.55 0.00 0.00 176.35 176.46 3e1b s THR 62 N -2.33 3.87 -0.61 5.48 2.01 -0.19 -4.40 115.64 119.47 3e1b s THR 62 Ca 0.14 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 3e1b s THR 62 Cb -0.04 -4.99 0.12 0.00 0.01 0.00 0.00 72.50 67.60 3e1b s THR 62 CO 0.05 -1.89 0.65 -0.63 -0.69 0.00 0.00 174.62 172.11 3e1b s ILE 63 N 5.20 5.03 -1.34 1.82 1.01 -1.26 -1.06 121.20 130.59 3e1b s ILE 63 Ca 0.41 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.56 3e1b s ILE 63 Cb -0.04 -4.45 0.08 0.00 0.01 0.00 0.00 42.46 38.06 3e1b s ILE 63 CO 0.00 -1.04 1.88 0.52 0.00 0.00 0.00 174.94 176.29 3e1b n VAL 64 N 5.29 3.84 -4.50 2.92 0.31 0.61 -4.79 118.33 122.02 3e1b n VAL 64 Ca -0.08 -3.84 -0.24 0.00 -0.01 0.00 0.00 64.34 60.18 3e1b n VAL 64 Cb 0.42 -2.44 -0.10 0.00 -0.91 0.00 0.00 33.84 30.81 3e1b n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3e1b s VAL 65 N 3.45 1.02 0.00 2.52 -7.23 -1.26 -3.53 120.40 115.36 3e1b s VAL 65 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 3e1b s VAL 65 Cb 0.07 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.39 3e1b s VAL 65 CO 0.02 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.14 3e1b n ASP 66 N -0.93 -0.72 0.00 4.85 2.03 -1.26 -3.36 116.55 117.17 3e1b n ASP 66 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3e1b n ASP 66 Cb 0.66 -1.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 3e1b n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3e1b n GLY 67 N -0.54 1.51 3.48 0.27 0.00 -1.26 -5.06 105.19 103.58 3e1b n GLY 67 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3e1b n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1b s LYS 68 N -0.36 1.67 0.48 1.61 -2.85 -1.21 -5.14 119.74 113.93 3e1b s LYS 68 Ca 0.00 -1.86 -0.23 0.00 -1.00 0.00 0.00 55.97 52.88 3e1b s LYS 68 Cb 0.00 -1.33 -0.07 0.00 -2.06 0.00 0.00 37.83 34.37 3e1b s LYS 68 CO 0.00 0.05 1.22 -2.00 0.10 0.00 0.00 175.35 174.71 3e1b s GLU 69 N -3.70 3.61 -0.10 1.78 2.12 -1.26 -4.75 118.70 116.40 3e1b s GLU 69 Ca 0.31 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.55 3e1b s GLU 69 Cb 0.04 -2.39 -0.06 0.00 0.26 0.00 0.00 34.13 31.98 3e1b s GLU 69 CO 0.14 -0.71 -0.09 -0.89 -0.54 0.00 0.00 175.26 173.17 3e1b n ILE 70 N -0.59 0.57 -2.55 -3.70 2.08 -1.26 -5.10 119.36 108.81 3e1b n ILE 70 Ca 0.08 -0.21 -0.09 0.00 0.56 0.00 0.00 62.75 63.09 3e1b n ILE 70 Cb 0.47 -0.94 0.04 0.00 -0.75 0.00 0.00 39.64 38.46 3e1b n ILE 70 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3e1b n LYS 71 N -2.87 -1.91 -4.11 0.38 4.81 -1.26 -4.89 118.16 108.31 3e1b n LYS 71 Ca -0.18 0.48 -0.11 0.00 -0.87 0.00 0.00 58.31 57.63 3e1b n LYS 71 Cb 0.68 -4.02 -0.11 0.00 0.02 0.00 0.00 35.03 31.61 3e1b n LYS 71 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3e1b s VAL 72 N -3.21 0.56 0.12 3.15 -7.23 -1.26 -1.68 120.40 110.85 3e1b s VAL 72 Ca 0.18 -1.56 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3e1b s VAL 72 Cb -0.02 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3e1b s VAL 72 CO 0.41 -0.69 -0.01 -1.59 -0.31 0.00 0.00 175.10 172.90 3e1b s LYS 73 N -2.92 0.90 -1.06 4.82 -2.85 -0.84 -1.80 119.74 115.99 3e1b s LYS 73 Ca 0.02 -1.40 -0.22 0.00 -1.00 0.00 0.00 55.97 53.37 3e1b s LYS 73 Cb -0.01 -0.05 0.05 0.00 -2.06 0.00 0.00 37.83 35.76 3e1b s LYS 73 CO -0.03 -0.12 1.53 0.00 0.10 0.00 0.00 175.35 176.82 3e1b s ALA 74 N -3.78 2.76 0.20 0.59 0.00 -1.16 -1.57 121.76 118.80 3e1b s ALA 74 Ca 0.18 -2.34 0.17 0.00 0.00 0.00 0.00 51.96 49.97 3e1b s ALA 74 Cb 0.06 -4.55 0.62 0.00 0.00 0.00 0.00 23.12 19.25 3e1b s ALA 74 CO -0.01 -3.64 1.71 0.37 0.00 0.00 0.00 175.76 174.19 3e1b h GLN 75 N 9.48 0.00 -3.68 0.00 4.15 -1.06 -3.41 115.11 120.60 3e1b h GLN 75 Ca 0.24 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.59 3e1b h GLN 75 Cb 0.98 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.57 3e1b h GLN 75 CO 1.42 0.42 -0.15 0.34 -1.93 0.00 0.00 178.83 178.93 3e1b s ASP 76 N -6.54 -0.08 -0.13 -0.69 2.15 -1.24 -4.98 116.67 105.15 3e1b s ASP 76 Ca -0.00 -0.86 -0.21 0.00 0.43 0.00 0.00 52.55 51.90 3e1b s ASP 76 Cb 0.11 0.55 0.05 0.00 -0.30 0.00 0.00 42.92 43.33 3e1b s ASP 76 CO 0.70 -1.06 0.54 0.54 -0.17 0.00 0.00 175.17 175.72 3e1b s VAL 77 N -3.99 0.01 -0.07 1.11 0.11 -1.26 -1.07 120.40 115.24 3e1b s VAL 77 Ca 0.20 -0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 3e1b s VAL 77 Cb 0.00 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 34.07 3e1b s VAL 77 CO 0.05 -0.05 -0.09 -1.10 -3.33 0.00 0.00 175.10 170.58 3e1b s GLN 78 N -0.38 1.40 0.31 1.54 -0.21 -0.83 -4.99 119.66 116.50 3e1b s GLN 78 Ca -0.05 -0.29 0.09 0.00 0.02 0.00 0.00 55.36 55.13 3e1b s GLN 78 Cb -0.03 -1.26 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 3e1b s GLN 78 CO 0.04 -0.06 0.06 1.03 -2.12 0.00 0.00 175.29 174.24 3e1b s ARG 79 N 0.93 2.32 0.07 2.91 0.52 -1.26 -0.12 118.95 124.31 3e1b s ARG 79 Ca -0.10 -1.50 -0.31 0.00 -0.52 0.00 0.00 55.73 53.30 3e1b s ARG 79 Cb -0.15 -2.15 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 3e1b s ARG 79 CO 0.01 0.23 1.36 -1.01 0.02 0.00 0.00 175.30 175.91 3e1b s HIS 80 N -2.39 3.15 0.33 -0.53 3.76 -0.80 -4.78 115.29 114.04 3e1b s HIS 80 Ca 0.34 0.97 0.12 0.00 -0.15 0.00 0.00 55.06 56.34 3e1b s HIS 80 Cb -0.04 -3.63 0.96 0.00 1.11 0.00 0.00 32.58 30.98 3e1b s HIS 80 CO 0.21 -2.23 1.72 -1.35 -0.85 0.00 0.00 174.74 172.24 3e1b h PRO 81 N 7.12 0.48 0.00 8.40 0.11 -2.01 -0.79 132.00 145.32 3e1b h PRO 81 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3e1b h PRO 81 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3e1b h PRO 81 CO 0.87 0.32 -0.76 1.88 -0.21 0.00 0.00 178.00 180.10 3e1b h TYR 82 N 0.50 0.00 -3.39 0.65 -1.99 -2.00 -3.50 116.97 107.24 3e1b h TYR 82 Ca 0.66 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 61.19 3e1b h TYR 82 Cb 1.38 0.00 -0.27 0.00 2.00 0.00 0.00 36.73 39.83 3e1b h TYR 82 CO -0.01 0.00 -0.57 0.21 -0.00 0.00 0.00 178.16 177.80 3e1b s LYS 83 N -3.30 0.15 0.58 4.88 2.20 -0.30 -5.09 119.74 118.85 3e1b s LYS 83 Ca 0.02 0.21 0.29 0.00 -0.36 0.00 0.00 55.97 56.13 3e1b s LYS 83 Cb 0.10 0.04 1.48 0.00 -1.51 0.00 0.00 37.83 37.93 3e1b s LYS 83 CO 0.76 -0.04 1.92 -1.35 -0.36 0.00 0.00 175.35 176.27 3e1b h PRO 84 N 6.13 0.00 -5.95 4.03 0.11 -1.97 -3.16 132.00 131.21 3e1b h PRO 84 Ca -0.28 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.08 3e1b h PRO 84 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3e1b h PRO 84 CO 0.43 0.00 1.35 1.63 -0.21 0.00 0.00 178.00 181.19 3e1b n LYS 85 N -3.85 0.01 -1.02 1.05 5.02 -1.26 -4.75 118.16 113.36 3e1b n LYS 85 Ca 0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 3e1b n LYS 85 Cb 0.68 -1.51 0.20 0.00 -0.02 0.00 0.00 35.03 34.37 3e1b n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3e1b s LEU 86 N 6.18 1.39 0.00 -0.35 1.43 -1.26 -1.91 118.68 124.15 3e1b s LEU 86 Ca 1.21 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 3e1b s LEU 86 Cb -1.48 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 41.38 3e1b s LEU 86 CO 0.65 -3.42 0.00 1.67 0.23 0.00 0.00 176.35 175.48 3e1b n GLN 87 N -4.37 0.00 -3.75 1.70 7.27 0.83 -4.66 117.38 114.40 3e1b n GLN 87 Ca 0.05 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.03 3e1b n GLN 87 Cb 0.57 -0.61 -0.03 0.00 2.41 0.00 0.00 30.24 32.58 3e1b n GLN 87 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 3e1b s HIS 88 N -1.84 -0.19 -0.08 3.69 5.04 -1.15 -4.69 115.29 116.07 3e1b s HIS 88 Ca 0.00 -0.18 -0.00 0.00 -1.54 0.00 0.00 55.06 53.33 3e1b s HIS 88 Cb 0.00 0.55 0.02 0.00 0.04 0.00 0.00 32.58 33.19 3e1b s HIS 88 CO 0.00 -1.05 -0.03 0.42 -2.34 0.00 0.00 174.74 171.73 3e1b s ILE 89 N -3.88 0.61 -1.19 0.89 1.09 -1.26 -1.96 121.20 115.49 3e1b s ILE 89 Ca 0.10 -0.06 -0.18 0.00 -1.10 0.00 0.00 60.65 59.40 3e1b s ILE 89 Cb -0.03 -0.69 -0.03 0.00 -1.06 0.00 0.00 42.46 40.65 3e1b s ILE 89 CO 0.01 0.28 2.02 0.47 -0.10 0.00 0.00 174.94 177.62 3e1b n ASP 90 N 4.79 3.55 -4.00 3.58 8.00 -0.23 -3.83 116.55 128.41 3e1b n ASP 90 Ca -0.13 -2.79 -0.41 0.00 0.71 0.00 0.00 54.79 52.17 3e1b n ASP 90 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.06 3e1b n ASP 90 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3e1b n PHE 91 N 7.80 3.30 -2.26 1.24 3.01 -1.23 -0.43 117.46 128.89 3e1b n PHE 91 Ca 0.50 -2.48 -0.38 0.00 1.01 0.00 0.00 57.45 56.10 3e1b n PHE 91 Cb 0.41 -2.38 -0.01 0.00 -0.01 0.00 0.00 39.48 37.49 3e1b n PHE 91 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3e1b s VAL 92 N 4.82 3.09 1.18 -4.37 0.11 -0.61 -4.48 120.40 120.14 3e1b s VAL 92 Ca 0.54 0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 60.32 3e1b s VAL 92 Cb 0.10 -3.48 0.28 0.00 -1.53 0.00 0.00 36.38 31.75 3e1b s VAL 92 CO 0.03 0.06 1.03 -0.13 -3.33 0.00 0.00 175.10 172.76 3e1b s ARG 93 N -2.42 -1.07 0.00 1.54 1.81 -0.32 -1.98 118.95 116.51 3e1b s ARG 93 Ca 0.59 0.52 0.00 0.00 -1.72 0.00 0.00 55.73 55.12 3e1b s ARG 93 Cb -0.31 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.63 3e1b s ARG 93 CO 0.38 -3.74 0.08 0.00 -0.68 0.00 0.00 175.30 171.34