#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ic3 n THR 2 N 0.00 0.00 -3.70 0.00 -2.24 -1.26 -5.23 114.28 101.85 3ic3 n THR 2 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3ic3 n THR 2 Cb 0.00 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3ic3 n THR 2 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ic3 n GLY 3 N 0.00 5.14 3.72 3.38 0.00 -1.26 -5.14 105.19 111.02 3ic3 n GLY 3 Ca 0.00 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 3ic3 n GLY 3 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ic3 s PRO 4 N -1.11 1.49 -0.73 1.61 0.04 -1.26 -4.93 135.00 130.11 3ic3 s PRO 4 Ca 0.00 1.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 3ic3 s PRO 4 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 3ic3 s PRO 4 CO 0.00 -2.17 1.47 0.21 0.04 0.00 0.00 177.00 176.55 3ic3 s LYS 5 N -4.83 3.04 0.38 4.56 2.47 -1.26 -4.99 119.74 119.11 3ic3 s LYS 5 Ca 0.63 -0.06 -0.03 0.00 -1.56 0.00 0.00 55.97 54.96 3ic3 s LYS 5 Cb -0.19 -4.34 -0.04 0.00 -1.46 0.00 0.00 37.83 31.81 3ic3 s LYS 5 CO 0.57 -2.35 0.63 -0.65 0.16 0.00 0.00 175.35 173.71 3ic3 s GLN 6 N 6.09 3.54 0.14 4.03 -0.21 -1.26 -5.10 119.66 126.89 3ic3 s GLN 6 Ca 0.46 -0.08 -0.14 0.00 0.02 0.00 0.00 55.36 55.62 3ic3 s GLN 6 Cb -0.09 -2.56 -0.07 0.00 1.00 0.00 0.00 33.01 31.30 3ic3 s GLN 6 CO 0.15 0.04 0.53 -0.65 -2.12 0.00 0.00 175.29 173.24 3ic3 s GLN 7 N -4.30 3.95 0.69 2.91 -1.52 -1.26 -5.10 119.66 115.03 3ic3 s GLN 7 Ca 0.43 0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 54.18 3ic3 s GLN 7 Cb -0.10 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.75 3ic3 s GLN 7 CO 0.38 0.49 1.06 -1.25 -0.25 0.00 0.00 175.29 175.72 3ic3 s PRO 8 N -1.95 3.01 0.33 2.91 0.04 -1.26 -5.01 135.00 133.08 3ic3 s PRO 8 Ca 0.37 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 61.86 3ic3 s PRO 8 Cb -0.15 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.26 3ic3 s PRO 8 CO 0.19 -0.99 1.45 1.28 0.04 0.00 0.00 177.00 178.97 3ic3 n LEU 9 N -3.03 4.15 -4.69 -3.56 4.77 -1.26 -4.96 117.00 108.43 3ic3 n LEU 9 Ca 0.07 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.83 3ic3 n LEU 9 Cb 0.55 -1.55 0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3ic3 n LEU 9 CO 0.57 -0.10 0.83 -2.65 -1.33 0.00 0.00 177.39 174.71 3ic3 n PRO 10 N 1.06 1.78 0.16 3.23 -0.02 -1.26 -4.88 135.00 135.07 3ic3 n PRO 10 Ca 0.05 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 3ic3 n PRO 10 Cb 0.37 -2.33 0.66 0.00 -0.02 0.00 0.00 33.50 32.18 3ic3 n PRO 10 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3ic3 h PRO 11 N 1.89 0.00 -0.00 0.52 0.11 -1.98 -1.55 132.00 130.99 3ic3 h PRO 11 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ic3 h PRO 11 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ic3 h PRO 11 CO 0.59 0.00 -0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3ic3 n ASP 12 N -4.47 0.00 -0.00 -2.05 5.75 -1.26 -3.11 116.55 111.41 3ic3 n ASP 12 Ca 0.02 0.04 -0.01 0.00 -0.01 0.00 0.00 54.79 54.83 3ic3 n ASP 12 Cb 0.28 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 3ic3 n ASP 12 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3ic3 n VAL 13 N -1.35 1.06 -1.65 2.12 0.31 -0.59 -4.83 118.33 113.40 3ic3 n VAL 13 Ca 0.12 -0.70 -0.48 0.00 -0.01 0.00 0.00 64.34 63.28 3ic3 n VAL 13 Cb 0.27 -0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.57 3ic3 n VAL 13 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ic3 n GLU 14 N -2.77 1.92 -1.00 5.55 1.02 -1.17 -1.63 120.64 122.55 3ic3 n GLU 14 Ca -0.14 0.69 -0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3ic3 n GLU 14 Cb 0.87 -2.44 -0.00 0.00 -0.02 0.00 0.00 31.44 29.85 3ic3 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ic3 n GLY 15 N 3.28 0.24 3.38 0.62 0.00 -1.26 -4.97 105.19 106.48 3ic3 n GLY 15 Ca 0.18 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 3ic3 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ic3 s ARG 16 N -1.09 2.99 0.53 1.61 1.81 -0.64 -4.92 118.95 119.22 3ic3 s ARG 16 Ca 0.00 -1.36 0.28 0.00 -1.72 0.00 0.00 55.73 52.93 3ic3 s ARG 16 Cb 0.00 -4.15 1.47 0.00 -0.45 0.00 0.00 34.95 31.82 3ic3 s ARG 16 CO 0.00 -1.06 2.08 1.49 -0.68 0.00 0.00 175.30 177.12 3ic3 h GLU 17 N 8.78 0.00 -0.00 3.54 4.81 -1.93 -2.45 114.58 127.32 3ic3 h GLU 17 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3ic3 h GLU 17 Cb 1.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.49 3ic3 h GLU 17 CO 0.90 0.11 -0.26 -0.40 -0.73 0.00 0.00 179.01 178.63 3ic3 n ASP 18 N -3.62 0.74 -4.73 1.04 5.75 -1.26 -4.86 116.55 109.61 3ic3 n ASP 18 Ca -0.02 -0.63 -0.41 0.00 -0.01 0.00 0.00 54.79 53.72 3ic3 n ASP 18 Cb 0.23 0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.37 3ic3 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ic3 s ALA 19 N -2.61 3.35 -0.10 2.12 0.00 -0.93 -5.04 121.76 118.55 3ic3 s ALA 19 Ca 0.22 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.98 3ic3 s ALA 19 Cb 0.19 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3ic3 s ALA 19 CO 0.54 -0.21 -0.15 0.42 0.00 0.00 0.00 175.76 176.37 3ic3 s ILE 20 N -0.03 1.46 -0.13 0.00 -1.09 -1.26 -5.04 121.20 115.10 3ic3 s ILE 20 Ca 0.50 -0.63 -0.29 0.00 -2.23 0.00 0.00 60.65 57.99 3ic3 s ILE 20 Cb -0.28 -1.32 -0.02 0.00 -1.58 0.00 0.00 42.46 39.26 3ic3 s ILE 20 CO 0.33 0.43 1.19 -0.70 -1.23 0.00 0.00 174.94 174.96 3ic3 s GLU 21 N 0.86 4.29 -0.10 2.79 2.12 -1.26 -4.91 118.70 122.49 3ic3 s GLU 21 Ca -0.10 1.60 -0.24 0.00 0.36 0.00 0.00 54.97 56.60 3ic3 s GLU 21 Cb -0.15 -3.66 -0.28 0.00 0.26 0.00 0.00 34.13 30.30 3ic3 s GLU 21 CO 0.01 -0.57 0.75 0.28 -0.54 0.00 0.00 175.26 175.18 3ic3 h VAL 22 N 5.29 1.51 -2.68 3.70 2.07 -1.98 -3.48 116.25 120.68 3ic3 h VAL 22 Ca -0.28 -2.42 -0.01 0.00 0.82 0.00 0.00 66.70 64.81 3ic3 h VAL 22 Cb 1.12 3.14 -0.14 0.00 -1.52 0.00 0.00 31.29 33.89 3ic3 h VAL 22 CO 0.93 0.64 0.25 -1.48 0.02 0.00 0.00 177.57 177.93 3ic3 s LEU 23 N -7.97 -0.56 -0.06 2.57 2.34 -1.26 -4.41 118.68 109.34 3ic3 s LEU 23 Ca -0.18 0.15 0.00 0.00 0.06 0.00 0.00 54.13 54.16 3ic3 s LEU 23 Cb 0.00 2.50 0.02 0.00 -0.56 0.00 0.00 46.19 48.15 3ic3 s LEU 23 CO 0.75 -0.84 -0.04 -0.13 -1.06 0.00 0.00 176.35 175.03 3ic3 s ARG 24 N -3.11 0.91 -0.08 1.48 0.52 -0.65 -5.00 118.95 113.01 3ic3 s ARG 24 Ca -0.01 -0.08 0.04 0.00 -0.52 0.00 0.00 55.73 55.16 3ic3 s ARG 24 Cb -0.01 -1.00 -0.00 0.00 0.52 0.00 0.00 34.95 34.46 3ic3 s ARG 24 CO -0.08 -0.16 -0.22 0.00 0.02 0.00 0.00 175.30 174.87 3ic3 s ALA 25 N 1.29 1.96 0.04 2.13 0.00 -1.26 -1.10 121.76 124.82 3ic3 s ALA 25 Ca -0.05 -0.87 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3ic3 s ALA 25 Cb -0.14 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.24 3ic3 s ALA 25 CO -0.02 0.28 -0.24 -0.06 0.00 0.00 0.00 175.76 175.73 3ic3 s PHE 26 N 0.28 2.07 -0.22 0.00 0.40 0.37 -4.98 117.98 115.89 3ic3 s PHE 26 Ca -0.14 -0.39 -0.10 0.00 -0.60 0.00 0.00 56.93 55.69 3ic3 s PHE 26 Cb -0.16 -1.24 -0.05 0.00 0.51 0.00 0.00 43.02 42.07 3ic3 s PHE 26 CO 0.07 0.10 0.15 0.14 0.70 0.00 0.00 175.22 176.37 3ic3 s VAL 27 N -0.79 5.39 -0.16 -0.44 -7.23 -1.26 -0.40 120.40 115.51 3ic3 s VAL 27 Ca 0.10 0.19 -0.07 0.00 -1.81 0.00 0.00 61.98 60.38 3ic3 s VAL 27 Cb -0.09 -3.49 0.07 0.00 0.56 0.00 0.00 36.38 33.43 3ic3 s VAL 27 CO 0.02 0.40 0.37 -0.22 -0.31 0.00 0.00 175.10 175.36 3ic3 s LEU 28 N 0.65 -0.21 -1.51 1.32 2.96 -0.41 -4.94 118.68 116.54 3ic3 s LEU 28 Ca 0.08 0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 54.69 3ic3 s LEU 28 Cb -0.12 1.17 0.08 0.00 0.50 0.00 0.00 46.19 47.82 3ic3 s LEU 28 CO 0.01 -0.21 0.92 0.47 -1.32 0.00 0.00 176.35 176.22 3ic3 n ASP 29 N 4.74 -4.87 -0.10 3.68 8.00 -1.26 -1.41 116.55 125.33 3ic3 n ASP 29 Ca -0.17 -0.70 -0.01 0.00 0.71 0.00 0.00 54.79 54.62 3ic3 n ASP 29 Cb 0.52 -3.90 -0.01 0.00 -0.02 0.00 0.00 41.12 37.72 3ic3 n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ic3 n GLY 30 N -1.64 0.50 0.00 0.44 0.00 -1.26 -4.98 105.19 98.25 3ic3 n GLY 30 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3ic3 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ic3 n GLY 31 N -2.40 3.49 3.38 -0.02 0.00 -0.50 -5.17 105.19 103.97 3ic3 n GLY 31 Ca -0.01 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3ic3 n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ic3 s LEU 32 N 0.00 2.29 -0.10 0.99 1.43 -1.26 -1.29 118.68 120.74 3ic3 s LEU 32 Ca 0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3ic3 s LEU 32 Cb 0.00 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.93 3ic3 s LEU 32 CO 0.00 0.23 -0.10 -0.55 0.23 0.00 0.00 176.35 176.16 3ic3 s SER 33 N -1.56 2.13 -0.06 2.29 0.15 0.46 -4.94 113.70 112.18 3ic3 s SER 33 Ca 0.13 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.48 3ic3 s SER 33 Cb -0.10 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3ic3 s SER 33 CO 0.04 -0.06 -0.13 -0.63 1.20 0.00 0.00 173.24 173.66 3ic3 s ILE 34 N 1.32 1.19 -0.26 6.45 1.01 -1.26 -0.48 121.20 129.17 3ic3 s ILE 34 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3ic3 s ILE 34 Cb -0.14 -1.06 -0.05 0.00 0.01 0.00 0.00 42.46 41.22 3ic3 s ILE 34 CO -0.04 0.36 0.17 0.00 0.00 0.00 0.00 174.94 175.43 3ic3 s ALA 35 N 0.44 3.58 0.00 9.38 0.00 -0.26 -4.98 121.76 129.92 3ic3 s ALA 35 Ca -0.11 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.89 3ic3 s ALA 35 Cb -0.14 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 20.60 3ic3 s ALA 35 CO 0.03 -0.33 0.00 1.19 0.00 0.00 0.00 175.76 176.65 3ic3 n PHE 36 N 4.59 0.00 -0.11 0.00 3.72 -1.26 -1.64 117.46 122.76 3ic3 n PHE 36 Ca -0.15 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.11 3ic3 n PHE 36 Cb 0.52 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 3ic3 n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ic3 n ARG 38 N 0.00 0.69 -2.40 -1.08 3.00 -1.26 -4.99 116.66 110.62 3ic3 n ARG 38 Ca 0.00 0.10 -0.34 0.00 -0.01 0.00 0.00 57.85 57.60 3ic3 n ARG 38 Cb 0.00 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 30.95 3ic3 n ARG 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ic3 s ALA 39 N -2.48 2.83 -0.22 7.54 0.00 -1.26 -5.01 121.76 123.15 3ic3 s ALA 39 Ca -0.26 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3ic3 s ALA 39 Cb 0.08 -3.25 -0.19 0.00 0.00 0.00 0.00 23.12 19.75 3ic3 s ALA 39 CO 0.63 -0.46 -0.08 0.34 0.00 0.00 0.00 175.76 176.19 3ic3 n PHE 40 N -1.25 0.30 0.00 0.00 7.35 -1.26 -5.00 117.46 117.59 3ic3 n PHE 40 Ca 0.09 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3ic3 n PHE 40 Cb 0.52 -1.04 0.00 0.00 0.35 0.00 0.00 39.48 39.32 3ic3 n PHE 40 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3ic3 n GLU 41 N -3.30 0.00 -3.52 -4.13 1.02 -1.26 -4.70 120.64 104.75 3ic3 n GLU 41 Ca -0.42 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.59 3ic3 n GLU 41 Cb 1.01 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.39 3ic3 n GLU 41 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 3ic3 s ASP 42 N -4.00 -0.48 0.49 1.62 1.47 -1.26 -5.04 116.67 109.47 3ic3 s ASP 42 Ca 0.00 0.32 0.14 0.00 1.18 0.00 0.00 52.55 54.19 3ic3 s ASP 42 Cb 0.00 0.44 1.16 0.00 -0.34 0.00 0.00 42.92 44.18 3ic3 s ASP 42 CO 0.00 -0.59 2.12 1.55 0.68 0.00 0.00 175.17 178.93 3ic3 h PRO 43 N 2.45 0.15 -1.89 2.11 0.13 -2.05 -3.23 132.00 129.66 3ic3 h PRO 43 Ca -0.24 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3ic3 h PRO 43 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ic3 h PRO 43 CO 0.34 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 3ic3 n GLU 44 N -4.52 0.12 0.00 0.86 4.71 -1.26 -1.26 120.64 119.28 3ic3 n GLU 44 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 3ic3 n GLU 44 Cb 0.10 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 3ic3 n GLU 44 CO 0.00 0.00 0.00 0.91 0.09 0.00 0.00 177.13 178.13 3ic3 n TRP 46 N 1.00 0.00 -0.18 -0.32 7.02 -1.22 -1.26 117.44 122.47 3ic3 n TRP 46 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 3ic3 n TRP 46 Cb 0.06 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 28.97 3ic3 n TRP 46 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3ic3 h GLY 47 N 0.00 0.76 0.78 6.99 0.00 -1.50 -0.45 103.07 109.66 3ic3 h GLY 47 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.08 3ic3 h GLY 47 CO 0.00 0.29 0.37 1.41 0.00 0.00 0.00 176.54 178.61 3ic3 h LEU 48 N 0.73 0.58 -0.27 3.11 3.38 -1.45 -1.02 115.31 120.36 3ic3 h LEU 48 Ca 0.20 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3ic3 h LEU 48 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ic3 h LEU 48 CO -0.04 0.39 0.05 0.25 0.09 0.00 0.00 178.44 179.18 3ic3 h LEU 49 N 0.71 0.42 -0.30 1.67 5.85 -1.73 -1.26 115.31 120.67 3ic3 h LEU 49 Ca 0.27 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3ic3 h LEU 49 Cb 0.10 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3ic3 h LEU 49 CO -0.14 0.57 0.16 -0.07 -0.34 0.00 0.00 178.44 178.61 3ic3 h LEU 50 N 0.26 0.24 -0.50 2.25 3.38 -0.85 -0.98 115.31 119.11 3ic3 h LEU 50 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3ic3 h LEU 50 Cb 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3ic3 h LEU 50 CO 0.00 0.18 0.31 0.58 0.09 0.00 0.00 178.44 179.60 3ic3 h VAL 51 N 0.32 1.15 -0.12 1.22 2.07 -1.09 -0.58 116.25 119.22 3ic3 h VAL 51 Ca 0.12 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.32 3ic3 h VAL 51 Cb 0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3ic3 h VAL 51 CO -0.07 0.15 0.05 0.44 0.02 0.00 0.00 177.57 178.16 3ic3 h ASP 52 N 0.67 0.08 -0.36 0.57 3.32 -0.94 -1.32 116.42 118.44 3ic3 h ASP 52 Ca 0.18 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ic3 h ASP 52 Cb -0.02 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3ic3 h ASP 52 CO -0.04 0.06 0.24 0.40 -1.72 0.00 0.00 179.24 178.19 3ic3 h ILE 53 N 0.12 1.09 -0.64 0.35 2.04 -0.99 -0.70 117.51 118.78 3ic3 h ILE 53 Ca 0.05 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3ic3 h ILE 53 Cb 0.01 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 3ic3 h ILE 53 CO -0.04 0.09 0.33 0.00 0.00 0.00 0.00 178.15 178.53 3ic3 h ALA 54 N 1.13 0.82 -0.40 1.87 0.00 -0.90 -0.03 119.26 121.76 3ic3 h ALA 54 Ca 0.13 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3ic3 h ALA 54 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3ic3 h ALA 54 CO -0.03 0.37 -0.30 0.00 0.00 0.00 0.00 179.25 179.28 3ic3 h ARG 55 N 0.88 0.91 -0.28 0.00 3.08 -1.05 -0.96 114.38 116.96 3ic3 h ARG 55 Ca 0.22 -0.45 0.04 0.00 0.07 0.00 0.00 59.98 59.86 3ic3 h ARG 55 Cb 0.09 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 3ic3 h ARG 55 CO -0.03 1.10 0.06 1.25 -1.07 0.00 0.00 179.97 181.28 3ic3 h HIS 56 N 0.73 0.09 -0.94 3.04 2.76 -0.88 -1.05 115.15 118.92 3ic3 h HIS 56 Ca 0.08 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 3ic3 h HIS 56 Cb 0.89 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.80 3ic3 h HIS 56 CO 0.06 0.02 0.58 0.00 -1.30 0.00 0.00 177.93 177.30 3ic3 h ALA 57 N 1.21 1.19 -0.42 5.26 0.00 -0.80 -0.39 119.26 125.31 3ic3 h ALA 57 Ca 0.13 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ic3 h ALA 57 Cb 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ic3 h ALA 57 CO -0.17 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.74 3ic3 h ALA 58 N 1.32 0.57 -0.50 0.00 0.00 -0.88 -0.39 119.26 119.38 3ic3 h ALA 58 Ca 0.34 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ic3 h ALA 58 Cb -0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ic3 h ALA 58 CO -0.07 0.33 0.12 0.00 0.00 0.00 0.00 179.25 179.64 3ic3 h ARG 59 N 0.57 0.79 -0.52 0.00 3.08 -0.85 -0.98 114.38 116.48 3ic3 h ARG 59 Ca 0.12 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3ic3 h ARG 59 Cb 0.44 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 3ic3 h ARG 59 CO 0.02 0.77 0.33 1.03 -1.07 0.00 0.00 179.97 181.05 3ic3 h SER 60 N 0.68 0.61 -0.36 7.04 0.87 -0.90 -2.04 113.55 119.45 3ic3 h SER 60 Ca 0.16 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 3ic3 h SER 60 Cb 0.33 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3ic3 h SER 60 CO 0.00 0.45 0.02 0.22 -0.53 0.00 0.00 176.83 177.00 3ic3 h TYR 61 N 0.70 0.67 -0.94 2.24 3.20 -0.91 -2.47 116.97 119.46 3ic3 h TYR 61 Ca 0.19 -0.11 0.07 0.00 3.14 0.00 0.00 58.73 62.02 3ic3 h TYR 61 Cb -0.06 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 37.97 3ic3 h TYR 61 CO -0.03 0.70 0.61 0.00 -1.64 0.00 0.00 178.16 177.80 3ic3 h ALA 62 N 0.88 1.49 0.00 1.82 0.00 -1.01 -1.25 119.26 121.18 3ic3 h ALA 62 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ic3 h ALA 62 Cb 0.42 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ic3 h ALA 62 CO 0.01 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3ic3 h ARG 63 N 1.07 0.00 -0.20 0.00 3.08 -0.91 -3.13 114.38 114.28 3ic3 h ARG 63 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3ic3 h ARG 63 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3ic3 h ARG 63 CO -0.16 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.13 3ic3 n GLU 64 N -2.63 2.66 -3.96 0.04 -0.58 -0.52 -5.05 120.64 110.60 3ic3 n GLU 64 Ca 0.01 -2.31 -0.12 0.00 -0.42 0.00 0.00 57.16 54.33 3ic3 n GLU 64 Cb 0.25 -1.46 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 3ic3 n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3ic3 s SER 65 N -1.62 0.44 0.00 1.62 1.04 -0.92 -5.03 113.70 109.23 3ic3 s SER 65 Ca 0.27 -1.28 0.27 0.00 0.48 0.00 0.00 55.95 55.69 3ic3 s SER 65 Cb 0.20 0.74 1.33 0.00 0.10 0.00 0.00 66.02 68.40 3ic3 s SER 65 CO 0.09 -1.46 1.92 -0.62 0.98 0.00 0.00 173.24 174.15 3ic3 n GLU 66 N -0.54 0.30 -2.73 4.02 1.02 -1.26 -4.86 120.64 116.59 3ic3 n GLU 66 Ca -0.03 0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.76 3ic3 n GLU 66 Cb 0.61 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.47 3ic3 n GLU 66 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ic3 s TYR 67 N -2.67 3.67 0.89 -0.32 2.02 -1.26 -5.08 117.35 114.60 3ic3 s TYR 67 Ca 0.23 1.78 -0.12 0.00 -0.37 0.00 0.00 57.07 58.59 3ic3 s TYR 67 Cb 0.18 -2.97 0.13 0.00 -0.40 0.00 0.00 41.96 38.89 3ic3 s TYR 67 CO 0.43 0.10 1.10 0.95 -1.57 0.00 0.00 175.55 176.56 3ic3 s THR 68 N -1.55 2.50 0.24 -0.71 -4.23 -1.26 -4.40 115.64 106.23 3ic3 s THR 68 Ca 0.50 0.16 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 3ic3 s THR 68 Cb -0.21 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.07 3ic3 s THR 68 CO 0.26 -0.21 1.86 -0.08 -0.54 0.00 0.00 174.62 175.91 3ic3 h GLU 69 N -1.47 0.99 -0.57 3.99 4.81 -1.92 0.72 114.58 121.13 3ic3 h GLU 69 Ca -0.50 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3ic3 h GLU 69 Cb 1.30 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3ic3 h GLU 69 CO 0.58 0.65 0.23 -0.44 -0.73 0.00 0.00 179.01 179.31 3ic3 h ASP 70 N 1.02 0.77 -0.49 1.04 3.32 -1.93 -0.11 116.42 120.05 3ic3 h ASP 70 Ca 0.38 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.14 3ic3 h ASP 70 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3ic3 h ASP 70 CO -0.17 0.73 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.56 3ic3 h GLU 71 N 0.77 0.99 -0.58 3.56 5.08 -1.83 -2.19 114.58 120.38 3ic3 h GLU 71 Ca 0.19 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3ic3 h GLU 71 Cb 0.19 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3ic3 h GLU 71 CO -0.02 1.09 0.31 0.00 -1.00 0.00 0.00 179.01 179.39 3ic3 h ALA 72 N 0.88 0.74 -0.53 3.43 0.00 -0.70 -2.01 119.26 121.07 3ic3 h ALA 72 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ic3 h ALA 72 Cb 0.76 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ic3 h ALA 72 CO 0.06 0.27 0.32 1.25 0.00 0.00 0.00 179.25 181.15 3ic3 h LEU 73 N 0.78 0.52 -0.60 0.00 5.85 -0.90 -0.48 115.31 120.49 3ic3 h LEU 73 Ca 0.20 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3ic3 h LEU 73 Cb 0.07 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3ic3 h LEU 73 CO -0.03 0.37 0.33 -0.08 -0.34 0.00 0.00 178.44 178.69 3ic3 h GLU 74 N 0.64 0.60 -0.50 1.25 4.81 -1.10 -0.48 114.58 119.79 3ic3 h GLU 74 Ca 0.21 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3ic3 h GLU 74 Cb 0.01 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3ic3 h GLU 74 CO -0.09 0.40 0.00 0.00 -0.73 0.00 0.00 179.01 178.59 3ic3 h ARG 75 N 0.62 0.88 -0.66 1.92 3.08 -0.91 -1.07 114.38 118.24 3ic3 h ARG 75 Ca 0.27 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3ic3 h ARG 75 Cb 0.15 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3ic3 h ARG 75 CO -0.17 0.91 0.37 0.82 -1.07 0.00 0.00 179.97 180.84 3ic3 h ILE 76 N 0.75 1.20 -0.56 2.04 2.04 -0.74 -2.56 117.51 119.67 3ic3 h ILE 76 Ca 0.14 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 3ic3 h ILE 76 Cb 0.52 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3ic3 h ILE 76 CO 0.03 0.22 0.04 0.58 0.00 0.00 0.00 178.15 179.02 3ic3 h VAL 77 N 0.90 1.25 0.00 1.67 2.07 -0.94 0.77 116.25 121.98 3ic3 h VAL 77 Ca 0.23 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ic3 h VAL 77 Cb 0.03 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3ic3 h VAL 77 CO -0.04 0.37 0.00 -0.62 0.02 0.00 0.00 177.57 177.31 3ic3 n GLU 78 N -4.21 0.00 0.00 1.57 1.02 -0.42 -0.68 120.64 117.92 3ic3 n GLU 78 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3ic3 n GLU 78 Cb 0.30 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 3ic3 n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ic3 n PHE 80 N 0.43 0.00 -0.28 -0.32 7.35 0.26 -1.52 117.46 123.38 3ic3 n PHE 80 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3ic3 n PHE 80 Cb 0.00 0.00 0.13 0.00 0.35 0.00 0.00 39.48 39.96 3ic3 n PHE 80 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3ic3 h GLU 81 N 0.00 1.15 -0.45 -4.13 5.08 -1.16 -0.71 114.58 114.36 3ic3 h GLU 81 Ca 0.00 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3ic3 h GLU 81 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3ic3 h GLU 81 CO 0.00 0.86 0.22 0.00 -1.00 0.00 0.00 179.01 179.09 3ic3 h ALA 82 N 1.31 0.58 0.00 3.43 0.00 -1.53 -2.90 119.26 120.16 3ic3 h ALA 82 Ca 0.28 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3ic3 h ALA 82 Cb 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ic3 h ALA 82 CO -0.04 0.14 -0.26 1.49 0.00 0.00 0.00 179.25 180.59 3ic3 h GLU 83 N 0.59 0.00 0.00 0.00 4.57 -1.76 -2.41 114.58 115.57 3ic3 h GLU 83 Ca 0.16 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 3ic3 h GLU 83 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3ic3 h GLU 83 CO -0.02 0.26 -0.22 1.25 -1.18 0.00 0.00 179.01 179.10 3ic3 h LEU 84 N 0.00 0.00 -2.27 1.64 5.85 -0.93 -2.31 115.31 117.29 3ic3 h LEU 84 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ic3 h LEU 84 Cb 0.75 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3ic3 h LEU 84 CO 0.03 0.22 -0.02 0.28 -0.34 0.00 0.00 178.44 178.61 3ic3 h SER 85 N 0.00 0.00 -2.98 1.25 0.02 -1.38 -3.44 113.55 107.02 3ic3 h SER 85 Ca -0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 3ic3 h SER 85 Cb 0.40 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3ic3 h SER 85 CO 0.03 0.02 0.78 -0.60 -1.14 0.00 0.00 176.83 175.92 3ic3 s ARG 86 N -4.00 4.31 0.68 3.45 3.52 -0.87 -4.98 118.95 121.05 3ic3 s ARG 86 Ca -0.03 1.83 -0.16 0.00 -0.13 0.00 0.00 55.73 57.25 3ic3 s ARG 86 Cb 0.12 -3.58 0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3ic3 s ARG 86 CO 0.49 -0.53 1.17 -1.25 -0.81 0.00 0.00 175.30 174.38 3ic3 s PRO 87 N 2.38 2.49 -0.10 5.12 0.04 -1.26 -5.10 135.00 138.56 3ic3 s PRO 87 Ca 0.60 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.15 3ic3 s PRO 87 Cb -0.28 -1.89 -0.27 0.00 0.04 0.00 0.00 34.50 32.10 3ic3 s PRO 87 CO 0.24 -1.54 0.52 1.15 0.04 0.00 0.00 177.00 177.41 3ic3 h THR 88 N 0.00 0.93 -0.01 1.26 2.02 -1.95 -3.54 112.91 111.63 3ic3 h THR 88 Ca -0.48 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.30 3ic3 h THR 88 Cb 1.28 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.35 3ic3 h THR 88 CO 0.52 0.75 -0.22 0.00 0.37 0.00 0.00 175.52 176.94 3ic3 n ALA 92 N -2.98 2.82 -3.26 6.16 0.00 -1.26 -5.19 120.51 116.80 3ic3 n ALA 92 Ca -0.27 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.57 3ic3 n ALA 92 Cb 0.95 -0.31 -0.16 0.00 0.00 0.00 0.00 19.45 19.93 3ic3 n ALA 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ic3 s THR 93 N -1.33 0.82 -0.08 0.00 2.01 -1.26 -5.13 115.64 110.67 3ic3 s THR 93 Ca 0.07 -0.34 0.04 0.00 0.31 0.00 0.00 61.69 61.77 3ic3 s THR 93 Cb 0.07 -0.75 -0.01 0.00 0.01 0.00 0.00 72.50 71.82 3ic3 s THR 93 CO 0.24 0.27 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.34 3ic3 s THR 94 N 0.45 2.40 0.03 -0.82 2.01 -1.26 -5.14 115.64 113.32 3ic3 s THR 94 Ca -0.08 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3ic3 s THR 94 Cb -0.12 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 3ic3 s THR 94 CO 0.01 0.56 -0.07 -1.83 -0.69 0.00 0.00 174.62 172.60 3ic3 s GLU 95 N -0.06 0.52 -0.06 4.92 -1.05 -1.26 -5.14 118.70 116.56 3ic3 s GLU 95 Ca -0.05 -0.62 0.01 0.00 -0.15 0.00 0.00 54.97 54.15 3ic3 s GLU 95 Cb -0.14 -0.34 0.02 0.00 -0.44 0.00 0.00 34.13 33.22 3ic3 s GLU 95 CO 0.04 0.07 -0.06 0.50 0.95 0.00 0.00 175.26 176.76 3ic3 s ARG 96 N -1.22 1.11 -0.04 -4.83 3.52 -1.26 -5.13 118.95 111.09 3ic3 s ARG 96 Ca -0.07 -0.18 0.07 0.00 -0.13 0.00 0.00 55.73 55.42 3ic3 s ARG 96 Cb -0.08 -1.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.21 3ic3 s ARG 96 CO 0.00 -0.10 -0.24 0.99 -0.81 0.00 0.00 175.30 175.14 3ic3 s THR 97 N 1.08 1.98 0.00 4.11 2.01 -1.26 -5.37 115.64 118.18 3ic3 s THR 97 Ca -0.08 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 60.88 3ic3 s THR 97 Cb -0.14 -1.66 0.00 0.00 0.01 0.00 0.00 72.50 70.70 3ic3 s THR 97 CO -0.01 0.55 0.00 0.00 -0.69 0.00 0.00 174.62 174.48