#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n LYS 2 N 0.00 0.75 -1.93 0.54 5.02 -1.26 -4.84 118.16 116.44 3i1r n LYS 2 Ca 0.00 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 3i1r n LYS 2 Cb 0.00 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.41 3i1r n LYS 2 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3i1r s ILE 3 N -0.68 3.45 -0.16 -0.18 1.01 -1.26 -4.94 121.20 118.43 3i1r s ILE 3 Ca 0.68 0.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 3i1r s ILE 3 Cb -0.87 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3i1r s ILE 3 CO 0.56 -0.06 1.43 -0.54 0.00 0.00 0.00 174.94 176.33 3i1r s LYS 4 N 4.24 4.11 0.43 2.79 1.02 -1.26 -4.96 119.74 126.11 3i1r s LYS 4 Ca 0.77 1.75 -0.24 0.00 0.02 0.00 0.00 55.97 58.28 3i1r s LYS 4 Cb -0.35 -3.88 -0.08 0.00 -0.52 0.00 0.00 37.83 33.00 3i1r s LYS 4 CO 0.32 -0.89 1.14 -0.08 -0.92 0.00 0.00 175.35 174.92 3i1r s THR 5 N 4.04 3.28 -0.51 2.17 -1.32 -1.26 -4.93 115.64 117.11 3i1r s THR 5 Ca 0.63 0.99 -0.28 0.00 -1.21 0.00 0.00 61.69 61.82 3i1r s THR 5 Cb -0.25 -3.51 -0.00 0.00 -1.51 0.00 0.00 72.50 67.23 3i1r s THR 5 CO 0.22 0.01 1.61 -0.69 -2.21 0.00 0.00 174.62 173.56 3i1r s VAL 6 N -1.55 3.63 0.11 5.08 1.01 -0.57 -4.86 120.40 123.24 3i1r s VAL 6 Ca 0.61 0.54 -0.22 0.00 0.00 0.00 0.00 61.98 62.91 3i1r s VAL 6 Cb -0.27 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 31.90 3i1r s VAL 6 CO 0.33 -0.90 1.72 0.03 0.00 0.00 0.00 175.10 176.29 3i1r h ARG 7 N 12.36 -0.02 -0.98 2.72 2.47 -1.92 -0.34 114.38 128.67 3i1r h ARG 7 Ca -0.28 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.59 3i1r h ARG 7 Cb 1.13 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 29.36 3i1r h ARG 7 CO 1.15 -0.02 0.60 0.78 0.56 0.00 0.00 179.97 183.04 3i1r h GLY 8 N -0.03 1.67 2.00 0.04 0.00 -1.98 0.22 103.07 105.00 3i1r h GLY 8 Ca 0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3i1r h GLY 8 CO -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 176.54 176.41 3i1r h ALA 9 N 1.58 1.24 0.00 3.60 0.00 -1.42 -1.91 119.26 122.35 3i1r h ALA 9 Ca 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 3i1r h ALA 9 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i1r h ALA 9 CO -0.33 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 178.93 3i1r h ALA 10 N 1.93 0.98 -0.59 0.00 0.00 -0.25 -2.94 119.26 118.38 3i1r h ALA 10 Ca -0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3i1r h ALA 10 Cb 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3i1r h ALA 10 CO 0.01 0.11 0.16 1.63 0.00 0.00 0.00 179.25 181.16 3i1r n LYS 11 N -3.16 3.44 0.00 0.00 5.02 -0.72 -4.28 118.16 118.46 3i1r n LYS 11 Ca 0.02 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3i1r n LYS 11 Cb 0.44 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.35 3i1r n LYS 11 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i1r n ARG 12 N -0.29 2.55 -4.45 1.97 1.74 -1.12 -5.10 116.66 111.97 3i1r n ARG 12 Ca 0.36 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 57.20 3i1r n ARG 12 Cb 1.25 -0.21 -0.10 0.00 -1.02 0.00 0.00 32.46 32.37 3i1r n ARG 12 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3i1r s PHE 13 N 0.00 2.21 -0.25 -1.55 0.08 -1.13 -4.22 117.98 113.13 3i1r s PHE 13 Ca 0.00 -0.36 -0.02 0.00 0.12 0.00 0.00 56.93 56.66 3i1r s PHE 13 Cb 0.00 -0.98 0.13 0.00 -0.57 0.00 0.00 43.02 41.60 3i1r s PHE 13 CO 0.00 0.65 0.38 0.21 -0.10 0.00 0.00 175.22 176.35 3i1r s LYS 14 N -3.42 0.35 0.18 0.44 2.36 -0.80 -4.87 119.74 113.98 3i1r s LYS 14 Ca 0.28 0.48 -0.31 0.00 -2.55 0.00 0.00 55.97 53.87 3i1r s LYS 14 Cb -0.05 -0.49 -0.17 0.00 -1.05 0.00 0.00 37.83 36.08 3i1r s LYS 14 CO 0.13 -0.68 0.83 1.17 1.55 0.00 0.00 175.35 178.35 3i1r n LYS 15 N 5.36 0.48 -0.83 4.03 3.00 -1.26 -4.39 118.16 124.56 3i1r n LYS 15 Ca -0.03 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 3i1r n LYS 15 Cb 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 35.03 34.11 3i1r n LYS 15 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i1r n THR 16 N 0.59 0.00 -0.17 3.15 -2.24 -1.03 -4.90 114.28 109.68 3i1r n THR 16 Ca 0.16 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.91 3i1r n THR 16 Cb 0.23 -0.87 0.17 0.00 -2.10 0.00 0.00 70.33 67.76 3i1r n THR 16 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3i1r h GLY 17 N 0.00 0.98 -1.69 3.38 0.00 -1.94 -3.08 103.07 100.72 3i1r h GLY 17 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3i1r h GLY 17 CO 0.00 0.51 0.00 0.28 0.00 0.00 0.00 176.54 177.33 3i1r n LYS 18 N -4.29 2.99 -0.20 4.80 5.02 -1.26 -4.92 118.16 120.31 3i1r n LYS 18 Ca 0.05 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.96 3i1r n LYS 18 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3i1r n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1r n GLY 19 N 0.46 0.67 0.00 0.72 0.00 -1.16 -5.07 105.19 100.80 3i1r n GLY 19 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3i1r n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1r n GLY 20 N -2.04 -1.27 0.37 -0.02 0.00 -1.26 -4.67 105.19 96.29 3i1r n GLY 20 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3i1r n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1r n PHE 21 N -0.13 -0.18 -1.65 1.61 3.01 -1.26 -2.46 117.46 116.40 3i1r n PHE 21 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i1r n PHE 21 Cb 0.00 0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 3i1r n PHE 21 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3i1r n LYS 22 N -1.69 -4.33 -3.97 -1.08 2.85 -1.23 -1.91 118.16 106.80 3i1r n LYS 22 Ca 0.00 3.23 -0.12 0.00 -1.05 0.00 0.00 58.31 60.37 3i1r n LYS 22 Cb 0.00 -3.70 -0.02 0.00 -0.65 0.00 0.00 35.03 30.66 3i1r n LYS 22 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 3i1r s HIS 23 N -3.48 0.61 0.38 5.58 -3.43 -0.48 -2.81 115.29 111.65 3i1r s HIS 23 Ca 0.00 -1.03 -0.10 0.00 -0.80 0.00 0.00 55.06 53.13 3i1r s HIS 23 Cb 0.00 0.30 -0.07 0.00 -1.43 0.00 0.00 32.58 31.39 3i1r s HIS 23 CO 0.00 -1.28 0.73 0.21 -2.00 0.00 0.00 174.74 172.40 3i1r s LYS 24 N -2.91 3.79 0.55 -0.38 2.20 -1.26 -2.11 119.74 119.62 3i1r s LYS 24 Ca 0.24 0.43 -0.19 0.00 -0.36 0.00 0.00 55.97 56.09 3i1r s LYS 24 Cb -0.02 -2.43 -0.05 0.00 -1.51 0.00 0.00 37.83 33.81 3i1r s LYS 24 CO 0.16 0.03 1.11 -1.01 -0.36 0.00 0.00 175.35 175.27 3i1r s HIS 25 N -2.27 2.73 0.63 4.03 3.76 -1.26 -4.94 115.29 117.97 3i1r s HIS 25 Ca 0.51 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.91 3i1r s HIS 25 Cb -0.10 -3.23 0.03 0.00 1.11 0.00 0.00 32.58 30.39 3i1r s HIS 25 CO 0.29 -1.46 0.93 0.00 -0.85 0.00 0.00 174.74 173.65 3i1r s ALA 26 N -1.92 3.33 0.00 -1.40 0.00 -1.26 -4.41 121.76 116.10 3i1r s ALA 26 Ca 0.71 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3i1r s ALA 26 Cb -0.22 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3i1r s ALA 26 CO 0.28 -0.99 0.00 0.09 0.00 0.00 0.00 175.76 175.14 3i1r n ASN 27 N -2.68 0.00 -3.19 0.00 5.03 -1.26 -4.91 115.26 108.25 3i1r n ASN 27 Ca 0.06 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.20 3i1r n ASN 27 Cb 0.59 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.33 3i1r n ASN 27 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3i1r n LEU 28 N 0.00 5.30 0.00 3.41 7.94 -1.26 -4.58 117.00 127.80 3i1r n LEU 28 Ca 0.00 -5.58 0.00 0.00 -1.11 0.00 0.00 56.01 49.32 3i1r n LEU 28 Cb 0.00 -0.75 0.00 0.00 0.53 0.00 0.00 43.42 43.20 3i1r n LEU 28 CO 0.00 2.24 0.00 -1.14 -1.11 0.00 0.00 177.39 177.38 3i1r n ARG 29 N -0.10 0.00 -3.59 1.96 0.63 -1.26 -5.11 116.66 109.19 3i1r n ARG 29 Ca 0.35 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 57.29 3i1r n ARG 29 Cb 0.35 -0.11 -0.01 0.00 0.45 0.00 0.00 32.46 33.15 3i1r n ARG 29 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3i1r s HIS 30 N 0.00 -0.01 0.00 -0.14 5.04 -1.26 -5.02 115.29 113.89 3i1r s HIS 30 Ca 0.00 -0.00 0.00 0.00 -1.54 0.00 0.00 55.06 53.52 3i1r s HIS 30 Cb 0.00 0.51 0.00 0.00 0.04 0.00 0.00 32.58 33.13 3i1r s HIS 30 CO 0.00 -0.05 0.00 1.51 -2.34 0.00 0.00 174.74 173.86 3i1r n ILE 31 N -0.30 0.00 -0.01 0.89 0.13 -1.26 -4.84 119.36 113.97 3i1r n ILE 31 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 3i1r n ILE 31 Cb 0.61 0.00 -0.03 0.00 -0.84 0.00 0.00 39.64 39.37 3i1r n ILE 31 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3i1r n LEU 32 N 0.23 0.00 0.12 9.51 4.77 -1.26 -4.62 117.00 125.75 3i1r n LEU 32 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3i1r n LEU 32 Cb 0.00 0.04 0.68 0.00 -2.33 0.00 0.00 43.42 41.82 3i1r n LEU 32 CO 0.00 0.04 1.13 0.00 -1.33 0.00 0.00 177.39 177.24 3i1r h THR 33 N 0.00 0.82 -0.01 -5.08 1.03 -2.02 -2.28 112.91 105.37 3i1r h THR 33 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 3i1r h THR 33 Cb 0.67 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 68.60 3i1r h THR 33 CO 0.00 0.00 -0.27 2.29 -0.01 0.00 0.00 175.52 177.54 3i1r n LYS 34 N -4.40 1.15 -3.86 0.00 2.85 -1.26 -4.89 118.16 107.74 3i1r n LYS 34 Ca 0.04 -0.79 -0.32 0.00 -1.05 0.00 0.00 58.31 56.19 3i1r n LYS 34 Cb 0.37 -1.48 -0.04 0.00 -0.65 0.00 0.00 35.03 33.22 3i1r n LYS 34 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3i1r s LYS 35 N -2.40 3.48 0.55 -1.58 1.02 -0.86 -5.06 119.74 114.90 3i1r s LYS 35 Ca 0.25 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 55.72 3i1r s LYS 35 Cb 0.19 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.41 3i1r s LYS 35 CO 0.50 0.62 1.25 0.00 -0.92 0.00 0.00 175.35 176.80 3i1r s ALA 36 N -1.44 2.73 0.21 5.17 0.00 -1.26 -4.90 121.76 122.26 3i1r s ALA 36 Ca 0.32 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 3i1r s ALA 36 Cb -0.13 -3.48 0.17 0.00 0.00 0.00 0.00 23.12 19.68 3i1r s ALA 36 CO 0.23 -1.15 1.88 1.15 0.00 0.00 0.00 175.76 177.88 3i1r h THR 37 N 1.28 1.19 0.04 0.00 2.02 -1.97 -2.15 112.91 113.32 3i1r h THR 37 Ca -0.50 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.33 3i1r h THR 37 Cb 1.29 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3i1r h THR 37 CO 0.57 0.19 -0.22 0.50 0.37 0.00 0.00 175.52 176.93 3i1r h LYS 38 N 1.03 -0.30 -0.66 6.66 3.64 -1.99 0.25 116.57 125.20 3i1r h LYS 38 Ca 0.29 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 3i1r h LYS 38 Cb -0.10 0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 31.67 3i1r h LYS 38 CO -0.07 -0.20 -0.06 -0.09 -2.27 0.00 0.00 179.45 176.77 3i1r h ARG 39 N -0.31 0.07 -0.39 1.90 2.43 -1.89 0.26 114.38 116.45 3i1r h ARG 39 Ca -0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3i1r h ARG 39 Cb 0.31 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3i1r h ARG 39 CO -0.12 0.04 0.13 0.87 -1.51 0.00 0.00 179.97 179.38 3i1r h LYS 40 N 0.07 0.60 -0.96 0.20 1.57 -1.22 -3.09 116.57 113.74 3i1r h LYS 40 Ca 0.34 -0.12 0.27 0.00 -1.87 0.00 0.00 60.65 59.27 3i1r h LYS 40 Cb 0.56 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.64 3i1r h LYS 40 CO -0.61 0.60 0.46 -0.09 -0.57 0.00 0.00 179.45 179.24 3i1r h ARG 41 N 0.48 0.33 0.00 3.15 2.43 0.31 1.87 114.38 122.96 3i1r h ARG 41 Ca 0.13 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3i1r h ARG 41 Cb 0.24 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3i1r h ARG 41 CO -0.01 0.22 0.00 0.45 -1.51 0.00 0.00 179.97 179.13 3i1r h HIS 42 N 0.34 0.00 0.00 2.20 3.86 -1.37 -3.12 115.15 117.07 3i1r h HIS 42 Ca 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 3i1r h HIS 42 Cb 1.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.85 3i1r h HIS 42 CO -0.09 0.00 -0.30 1.28 0.86 0.00 0.00 177.93 179.68 3i1r n LEU 43 N -2.37 0.34 0.28 2.43 4.77 0.63 -4.30 117.00 118.78 3i1r n LEU 43 Ca 0.05 0.23 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 3i1r n LEU 43 Cb 0.40 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3i1r n LEU 43 CO 0.29 0.05 0.36 0.03 -1.33 0.00 0.00 177.39 176.79 3i1r h ARG 44 N 0.00 -0.74 -6.79 3.23 3.08 -1.40 -3.38 114.38 108.38 3i1r h ARG 44 Ca 0.00 0.05 -0.48 0.00 0.07 0.00 0.00 59.98 59.62 3i1r h ARG 44 Cb 0.53 0.17 0.23 0.00 0.08 0.00 0.00 29.97 30.97 3i1r h ARG 44 CO 0.00 -0.46 -0.74 -0.35 -1.07 0.00 0.00 179.97 177.34 3i1r n PRO 45 N -5.29 -1.31 -1.75 0.04 -0.04 -1.26 -4.80 135.00 120.59 3i1r n PRO 45 Ca -0.10 -0.35 -0.30 0.00 -0.04 0.00 0.00 63.50 62.71 3i1r n PRO 45 Cb 0.32 -1.84 0.20 0.00 -0.04 0.00 0.00 33.50 32.14 3i1r n PRO 45 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i1r s LYS 46 N -3.68 0.17 -0.04 0.54 -0.14 -1.26 -4.40 119.74 110.93 3i1r s LYS 46 Ca 0.58 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 54.54 3i1r s LYS 46 Cb -0.17 -1.79 0.10 0.00 -1.68 0.00 0.00 37.83 34.30 3i1r s LYS 46 CO 0.66 -2.74 0.85 0.00 -0.76 0.00 0.00 175.35 173.36 3i1r s ALA 47 N -3.71 -1.82 0.43 5.17 0.00 -0.90 -4.95 121.76 115.97 3i1r s ALA 47 Ca 0.74 1.18 -0.22 0.00 0.00 0.00 0.00 51.96 53.65 3i1r s ALA 47 Cb -0.05 0.06 -0.09 0.00 0.00 0.00 0.00 23.12 23.04 3i1r s ALA 47 CO 0.54 -0.53 1.02 -1.64 0.00 0.00 0.00 175.76 175.15 3i1r s MET 48 N -2.26 4.08 0.20 0.00 -1.94 -1.26 -1.39 119.30 116.74 3i1r s MET 48 Ca -0.00 1.39 -0.21 0.00 -1.71 0.00 0.00 55.69 55.16 3i1r s MET 48 Cb -0.01 -2.36 -0.08 0.00 2.01 0.00 0.00 34.83 34.39 3i1r s MET 48 CO -0.03 -0.19 0.72 0.54 -0.01 0.00 0.00 175.02 176.05 3i1r s VAL 49 N -1.83 4.54 1.11 -6.03 0.11 -1.26 -4.83 120.40 112.20 3i1r s VAL 49 Ca 0.61 1.36 -0.18 0.00 -2.93 0.00 0.00 61.98 60.83 3i1r s VAL 49 Cb -0.18 -3.91 0.26 0.00 -1.53 0.00 0.00 36.38 31.01 3i1r s VAL 49 CO 0.23 0.29 1.22 -0.94 -3.33 0.00 0.00 175.10 172.57 3i1r s SER 50 N -1.52 1.82 0.03 3.54 1.04 -1.26 -4.80 113.70 112.53 3i1r s SER 50 Ca 0.41 0.39 -0.21 0.00 0.48 0.00 0.00 55.95 57.01 3i1r s SER 50 Cb -0.18 -0.48 -0.16 0.00 0.10 0.00 0.00 66.02 65.31 3i1r s SER 50 CO 0.22 -3.55 1.32 0.11 0.98 0.00 0.00 173.24 172.32 3i1r h LYS 51 N -2.20 0.29 -0.82 4.02 6.56 -2.01 -2.14 116.57 120.27 3i1r h LYS 51 Ca -0.44 -0.16 0.07 0.00 -1.06 0.00 0.00 60.65 59.06 3i1r h LYS 51 Cb 1.26 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 32.87 3i1r h LYS 51 CO 0.33 0.70 0.54 0.78 -2.06 0.00 0.00 179.45 179.74 3i1r h GLY 52 N -0.11 1.16 1.91 3.86 0.00 -2.05 -2.78 103.07 105.05 3i1r h GLY 52 Ca 0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 47.33 46.79 3i1r h GLY 52 CO 0.03 0.26 -0.98 -0.55 0.00 0.00 0.00 176.54 175.30 3i1r h ASP 53 N 0.90 0.00 -1.18 0.19 3.32 -1.91 -3.32 116.42 114.43 3i1r h ASP 53 Ca 0.36 0.00 0.38 0.00 0.02 0.00 0.00 57.03 57.79 3i1r h ASP 53 Cb 0.24 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.66 3i1r h ASP 53 CO -0.13 0.91 0.74 0.25 -1.72 0.00 0.00 179.24 179.29 3i1r h LEU 54 N 0.00 0.34 0.58 1.55 5.85 -1.09 0.14 115.31 122.69 3i1r h LEU 54 Ca -0.03 0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3i1r h LEU 54 Cb 1.73 0.12 0.01 0.00 0.37 0.00 0.00 40.66 42.88 3i1r h LEU 54 CO 0.11 -0.14 -0.28 1.23 -0.34 0.00 0.00 178.44 179.03 3i1r h GLY 55 N 0.19 -0.81 0.10 3.75 0.00 -1.73 -1.89 103.07 102.69 3i1r h GLY 55 Ca 0.76 0.30 0.01 0.00 0.00 0.00 0.00 47.33 48.40 3i1r h GLY 55 CO -0.46 -0.29 -0.40 1.41 0.00 0.00 0.00 176.54 176.79 3i1r h LEU 56 N -0.78 -1.21 -0.49 3.11 -0.00 -0.95 -1.63 115.31 113.36 3i1r h LEU 56 Ca -0.08 0.13 0.09 0.00 -0.00 0.00 0.00 57.88 58.02 3i1r h LEU 56 Cb 0.60 0.44 -0.10 0.00 -0.00 0.00 0.00 40.66 41.60 3i1r h LEU 56 CO 0.13 -0.43 -0.29 0.58 -0.00 0.00 0.00 178.44 178.43 3i1r h VAL 57 N -0.58 0.24 -0.71 1.22 2.07 -1.43 0.51 116.25 117.58 3i1r h VAL 57 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3i1r h VAL 57 Cb 0.58 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 3i1r h VAL 57 CO -0.21 0.00 0.37 0.40 0.02 0.00 0.00 177.57 178.15 3i1r h ILE 58 N -0.18 0.88 0.00 4.57 2.04 -0.99 0.30 117.51 124.13 3i1r h ILE 58 Ca 0.21 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3i1r h ILE 58 Cb 0.52 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3i1r h ILE 58 CO -0.59 0.12 0.07 0.00 0.00 0.00 0.00 178.15 177.74 3i1r h ALA 59 N 1.42 1.05 0.00 1.87 0.00 0.07 -2.07 119.26 121.60 3i1r h ALA 59 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3i1r h ALA 59 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3i1r h ALA 59 CO -0.25 -0.05 -1.50 0.00 0.00 0.00 0.00 179.25 177.45 3i1r n LEU 61 N -2.28 2.15 0.26 0.00 4.77 -0.78 -1.52 117.00 119.60 3i1r n LEU 61 Ca -0.01 -4.88 0.09 0.00 -0.03 0.00 0.00 56.01 51.18 3i1r n LEU 61 Cb 0.53 0.26 0.48 0.00 -2.33 0.00 0.00 43.42 42.36 3i1r n LEU 61 CO 0.43 2.13 0.96 1.55 -1.33 0.00 0.00 177.39 181.14 3i1r h PRO 62 N 2.95 0.00 -0.29 3.23 0.13 -1.79 0.69 132.00 136.92 3i1r h PRO 62 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3i1r h PRO 62 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3i1r h PRO 62 CO 0.60 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.03 3i1r n TYR 63 N -2.45 0.72 1.62 1.56 4.01 -1.26 -5.14 117.16 116.22 3i1r n TYR 63 Ca -0.01 -0.71 0.13 0.00 -0.16 0.00 0.00 57.90 57.15 3i1r n TYR 63 Cb 0.48 -0.18 0.77 0.00 -0.31 0.00 0.00 39.34 40.09 3i1r n TYR 63 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40