#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a17 s GLU 2 N 0.00 2.44 0.10 0.03 2.02 -1.24 -4.85 118.70 117.19 3a17 s GLU 2 Ca 0.00 1.68 -0.03 0.00 0.02 0.00 0.00 54.97 56.64 3a17 s GLU 2 Cb 0.00 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.30 3a17 s GLU 2 CO 0.00 -1.59 0.30 0.45 0.02 0.00 0.00 175.26 174.44 3a17 s SER 3 N -2.10 6.44 0.40 -0.19 0.15 -1.26 -2.08 113.70 115.06 3a17 s SER 3 Ca 0.73 0.46 0.15 0.00 0.70 0.00 0.00 55.95 57.99 3a17 s SER 3 Cb -0.27 -2.04 0.84 0.00 -1.71 0.00 0.00 66.02 62.84 3a17 s SER 3 CO 0.42 0.12 1.87 0.00 1.20 0.00 0.00 173.24 176.84 3a17 h ALA 4 N 3.03 1.37 -2.23 5.45 0.00 -1.93 -3.42 119.26 121.53 3a17 h ALA 4 Ca -0.46 -0.29 -0.58 0.00 0.00 0.00 0.00 54.91 53.58 3a17 h ALA 4 Cb 1.17 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 4 CO 0.73 0.40 0.59 0.42 0.00 0.00 0.00 179.25 181.39 3a17 s ILE 5 N -4.19 4.78 0.46 0.00 1.01 -1.26 -4.96 121.20 117.03 3a17 s ILE 5 Ca -0.03 1.86 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 3a17 s ILE 5 Cb 0.14 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3a17 s ILE 5 CO 0.70 -0.07 1.34 0.61 0.00 0.00 0.00 174.94 177.53 3a17 n GLY 6 N 3.37 0.76 0.36 6.18 0.00 -1.26 -4.76 105.19 109.83 3a17 n GLY 6 Ca 0.08 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 3a17 n GLY 6 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3a17 h GLU 7 N 2.04 -0.05 0.00 1.61 5.08 -1.93 0.21 114.58 121.54 3a17 h GLU 7 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3a17 h GLU 7 Cb 1.29 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3a17 h GLU 7 CO 0.60 -0.04 0.00 -2.39 -1.00 0.00 0.00 179.01 176.18 3a17 n HIS 8 N -5.48 0.59 0.80 4.33 1.44 -1.26 -2.11 115.22 113.54 3a17 n HIS 8 Ca 0.09 0.27 0.08 0.00 -2.01 0.00 0.00 57.72 56.15 3a17 n HIS 8 Cb 0.39 -0.93 -0.04 0.00 0.12 0.00 0.00 29.99 29.53 3a17 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a17 n LEU 9 N -2.07 1.35 -4.77 2.39 4.77 0.71 -4.95 117.00 114.43 3a17 n LEU 9 Ca 0.01 -0.65 -0.39 0.00 -0.03 0.00 0.00 56.01 54.94 3a17 n LEU 9 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3a17 n LEU 9 CO 0.13 0.28 0.86 -1.10 -1.33 0.00 0.00 177.39 176.23 3a17 s GLN 10 N -2.30 4.26 0.31 3.23 -0.21 -0.89 -4.94 119.66 119.12 3a17 s GLN 10 Ca 0.11 1.92 -0.18 0.00 0.02 0.00 0.00 55.36 57.23 3a17 s GLN 10 Cb 0.14 -2.89 0.03 0.00 1.00 0.00 0.00 33.01 31.28 3a17 s GLN 10 CO 0.56 -0.16 0.70 0.00 -2.12 0.00 0.00 175.29 174.27 3a17 s PRO 12 N -3.49 3.73 0.26 0.00 0.02 -1.26 -4.95 135.00 129.32 3a17 s PRO 12 Ca 0.14 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.21 3a17 s PRO 12 Cb -0.05 -4.24 -0.10 0.00 0.02 0.00 0.00 34.50 30.14 3a17 s PRO 12 CO 0.09 -1.42 1.36 1.03 -0.33 0.00 0.00 177.00 177.73 3a17 s ARG 13 N 5.20 4.34 -0.00 5.54 0.52 -1.26 -4.84 118.95 128.45 3a17 s ARG 13 Ca 0.92 2.19 0.12 0.00 -0.52 0.00 0.00 55.73 58.45 3a17 s ARG 13 Cb -0.38 -3.13 -0.14 0.00 0.52 0.00 0.00 34.95 31.82 3a17 s ARG 13 CO 0.38 -0.29 0.49 0.25 0.02 0.00 0.00 175.30 176.15 3a17 n THR 14 N 1.98 0.00 -4.93 0.02 -2.24 0.53 -4.96 114.28 104.68 3a17 n THR 14 Ca 0.05 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 3a17 n THR 14 Cb 0.42 0.91 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 3a17 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a17 s LEU 15 N -2.72 1.95 0.32 3.22 1.43 -0.33 -4.98 118.68 117.57 3a17 s LEU 15 Ca 0.04 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 3a17 s LEU 15 Cb 0.09 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.24 3a17 s LEU 15 CO 0.50 0.17 0.46 0.42 0.23 0.00 0.00 176.35 178.13 3a17 s THR 16 N 0.00 4.24 0.99 5.49 -4.23 -1.26 -4.69 115.64 116.19 3a17 s THR 16 Ca -0.04 -0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.35 3a17 s THR 16 Cb -0.12 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.42 3a17 s THR 16 CO 0.03 -0.19 1.13 -0.13 -0.54 0.00 0.00 174.62 174.92 3a17 s ARG 17 N -4.16 0.52 0.00 3.99 0.52 -1.26 -4.99 118.95 113.57 3a17 s ARG 17 Ca 0.44 0.27 0.21 0.00 -0.52 0.00 0.00 55.73 56.13 3a17 s ARG 17 Cb -0.09 -1.77 0.25 0.00 0.52 0.00 0.00 34.95 33.86 3a17 s ARG 17 CO 0.31 -2.62 1.24 2.89 0.02 0.00 0.00 175.30 177.14 3a17 n ARG 18 N -4.05 2.14 -4.25 3.54 1.85 -1.26 -4.90 116.66 109.72 3a17 n ARG 18 Ca 0.07 -1.94 -0.19 0.00 -1.00 0.00 0.00 57.85 54.80 3a17 n ARG 18 Cb 0.59 -1.43 -0.13 0.00 -1.05 0.00 0.00 32.46 30.44 3a17 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a17 s VAL 19 N -1.63 1.11 0.81 8.89 -7.23 -1.26 -5.15 120.40 115.94 3a17 s VAL 19 Ca 0.29 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.18 3a17 s VAL 19 Cb 0.19 -1.04 0.08 0.00 0.56 0.00 0.00 36.38 36.16 3a17 s VAL 19 CO 0.28 -0.13 1.09 -2.16 -0.31 0.00 0.00 175.10 173.87 3a17 s PRO 20 N -1.48 1.96 0.00 4.82 0.04 -1.26 -4.91 135.00 134.16 3a17 s PRO 20 Ca -0.00 1.08 0.10 0.00 0.04 0.00 0.00 61.00 62.22 3a17 s PRO 20 Cb -0.09 -1.87 0.45 0.00 0.04 0.00 0.00 34.50 33.03 3a17 s PRO 20 CO 0.02 -1.82 1.32 -0.25 0.04 0.00 0.00 177.00 176.30 3a17 n ASP 21 N -3.63 0.00 0.06 6.66 8.00 -1.26 -1.31 116.55 125.07 3a17 n ASP 21 Ca 0.09 0.46 0.13 0.00 0.71 0.00 0.00 54.79 56.18 3a17 n ASP 21 Cb 0.54 -0.48 0.50 0.00 -0.02 0.00 0.00 41.12 41.66 3a17 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a17 n THR 22 N -1.48 0.37 -1.57 -3.53 -2.24 -1.26 -4.93 114.28 99.64 3a17 n THR 22 Ca 0.03 -0.12 -0.48 0.00 -2.27 0.00 0.00 64.05 61.21 3a17 n THR 22 Cb 0.12 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3a17 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a17 n TYR 23 N -1.91 1.20 -4.31 4.78 9.36 -0.42 -5.01 117.16 120.85 3a17 n TYR 23 Ca 0.06 0.70 -0.31 0.00 3.32 0.00 0.00 57.90 61.67 3a17 n TYR 23 Cb 0.37 -2.25 -0.16 0.00 -0.63 0.00 0.00 39.34 36.67 3a17 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a17 s THR 24 N -0.47 1.75 0.57 2.97 2.01 -1.26 -5.03 115.64 116.18 3a17 s THR 24 Ca 0.69 -0.77 -0.21 0.00 0.31 0.00 0.00 61.69 61.71 3a17 s THR 24 Cb -0.82 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 3a17 s THR 24 CO 0.55 0.49 1.30 -0.81 -0.69 0.00 0.00 174.62 175.45 3a17 n PRO 25 N 4.43 1.48 0.24 4.92 -0.04 -1.26 -4.95 135.00 139.82 3a17 n PRO 25 Ca -0.19 0.55 0.15 0.00 -0.04 0.00 0.00 63.50 63.97 3a17 n PRO 25 Cb 0.51 -2.51 0.46 0.00 -0.04 0.00 0.00 33.50 31.91 3a17 n PRO 25 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3a17 h PRO 26 N 1.14 0.00 -3.41 0.54 0.13 -1.90 -3.46 132.00 125.03 3a17 h PRO 26 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3a17 h PRO 26 Cb 1.32 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.34 3a17 h PRO 26 CO 0.56 0.00 -0.04 -0.59 -0.23 0.00 0.00 178.00 177.69 3a17 s PHE 27 N -3.45 -0.03 0.25 1.56 -0.12 -1.26 -5.12 117.98 109.80 3a17 s PHE 27 Ca 0.04 -0.31 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 3a17 s PHE 27 Cb 0.07 0.30 -0.09 0.00 -0.63 0.00 0.00 43.02 42.68 3a17 s PHE 27 CO 0.59 -0.87 1.09 -2.14 -0.05 0.00 0.00 175.22 173.84 3a17 s PRO 28 N -3.88 4.64 0.05 1.99 0.02 -1.26 -5.02 135.00 131.54 3a17 s PRO 28 Ca 0.10 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 62.87 3a17 s PRO 28 Cb -0.00 -3.22 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3a17 s PRO 28 CO -0.03 0.20 -0.03 -1.64 -0.33 0.00 0.00 177.00 175.16 3a17 s MET 29 N -1.13 0.58 0.11 5.54 -1.94 -1.26 -4.91 119.30 116.28 3a17 s MET 29 Ca 0.46 -1.14 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 3a17 s MET 29 Cb -0.31 0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.67 3a17 s MET 29 CO 0.39 -0.10 -0.16 -1.58 -0.01 0.00 0.00 175.02 173.56 3a17 s TRP 30 N -3.55 1.48 0.28 -0.03 0.51 0.41 -2.03 118.94 116.00 3a17 s TRP 30 Ca 0.04 -0.49 0.11 0.00 -2.12 0.00 0.00 56.10 53.65 3a17 s TRP 30 Cb 0.05 -0.79 -0.05 0.00 -0.81 0.00 0.00 33.47 31.87 3a17 s TRP 30 CO -0.08 0.15 -0.19 0.14 -0.51 0.00 0.00 176.95 176.46 3a17 s VAL 31 N -1.65 2.40 0.25 4.03 -7.23 -1.26 0.39 120.40 117.33 3a17 s VAL 31 Ca 0.06 -2.38 -0.30 0.00 -1.81 0.00 0.00 61.98 57.55 3a17 s VAL 31 Cb -0.08 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.48 3a17 s VAL 31 CO 0.03 -0.41 1.09 -0.83 -0.31 0.00 0.00 175.10 174.68 3a17 s GLY 32 N -3.50 3.02 0.05 2.32 0.00 -1.26 -1.52 107.32 106.43 3a17 s GLY 32 Ca 0.29 0.87 0.05 0.00 0.00 0.00 0.00 44.72 45.93 3a17 s GLY 32 CO 0.14 1.52 -0.07 0.50 0.00 0.00 0.00 173.10 175.20 3a17 s ARG 33 N -1.18 2.42 -0.24 2.90 1.81 0.88 -4.85 118.95 120.68 3a17 s ARG 33 Ca 0.45 -0.84 -0.25 0.00 -1.72 0.00 0.00 55.73 53.37 3a17 s ARG 33 Cb -0.31 -2.44 0.07 0.00 -0.45 0.00 0.00 34.95 31.81 3a17 s ARG 33 CO 0.39 0.56 0.71 0.00 -0.68 0.00 0.00 175.30 176.28 3a17 s ALA 34 N -1.12 -1.76 0.91 2.13 0.00 -1.26 -0.43 121.76 120.23 3a17 s ALA 34 Ca 0.20 1.93 -0.08 0.00 0.00 0.00 0.00 51.96 54.01 3a17 s ALA 34 Cb -0.11 -1.04 0.13 0.00 0.00 0.00 0.00 23.12 22.09 3a17 s ALA 34 CO 0.11 -0.34 0.76 -0.40 0.00 0.00 0.00 175.76 175.90 3a17 n ASP 35 N 2.51 0.24 0.00 0.00 5.68 -1.26 -4.90 116.55 118.82 3a17 n ASP 35 Ca -0.15 -1.38 0.03 0.00 -0.50 0.00 0.00 54.79 52.79 3a17 n ASP 35 Cb 0.55 -0.57 0.15 0.00 -1.14 0.00 0.00 41.12 40.11 3a17 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a17 n ASP 36 N -3.39 0.00 -0.02 -1.12 5.68 -1.26 -1.37 116.55 115.06 3a17 n ASP 36 Ca 0.10 0.37 -0.00 0.00 -0.50 0.00 0.00 54.79 54.76 3a17 n ASP 36 Cb 0.35 -0.41 0.29 0.00 -1.14 0.00 0.00 41.12 40.21 3a17 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a17 h ALA 37 N 2.25 1.37 -1.49 2.12 0.00 -2.01 -3.37 119.26 118.14 3a17 h ALA 37 Ca 0.00 -0.19 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 3a17 h ALA 37 Cb 0.09 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 3a17 h ALA 37 CO 0.00 0.44 0.95 -1.17 0.00 0.00 0.00 179.25 179.47 3a17 s LEU 38 N -9.13 3.89 -0.24 0.00 2.96 -0.47 -4.84 118.68 110.85 3a17 s LEU 38 Ca -0.08 -1.05 -0.07 0.00 -0.22 0.00 0.00 54.13 52.72 3a17 s LEU 38 Cb 0.16 -2.49 -0.17 0.00 0.50 0.00 0.00 46.19 44.18 3a17 s LEU 38 CO 0.77 -1.54 -0.12 0.00 -1.32 0.00 0.00 176.35 174.14 3a17 n GLN 39 N 8.34 0.64 -3.68 1.98 6.02 -1.26 -4.63 117.38 124.79 3a17 n GLN 39 Ca 0.10 0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 57.24 3a17 n GLN 39 Cb 0.48 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 30.07 3a17 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a17 s GLN 40 N -2.51 0.41 0.39 -1.09 0.74 -1.26 0.04 119.66 116.38 3a17 s GLN 40 Ca -0.33 0.88 0.04 0.00 0.05 0.00 0.00 55.36 55.99 3a17 s GLN 40 Cb 0.10 0.06 -0.01 0.00 1.10 0.00 0.00 33.01 34.27 3a17 s GLN 40 CO 0.59 -0.18 0.56 0.14 -0.55 0.00 0.00 175.29 175.86 3a17 s VAL 41 N 1.66 4.04 -0.16 1.34 -7.23 -0.77 -3.48 120.40 115.80 3a17 s VAL 41 Ca -0.08 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.33 3a17 s VAL 41 Cb -0.09 -3.44 0.02 0.00 0.56 0.00 0.00 36.38 33.43 3a17 s VAL 41 CO -0.13 -0.24 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.55 3a17 s VAL 42 N -2.35 1.87 -0.37 1.32 1.01 -0.92 -3.40 120.40 117.56 3a17 s VAL 42 Ca 0.46 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3a17 s VAL 42 Cb -0.10 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.61 3a17 s VAL 42 CO 0.34 0.51 0.19 -0.04 0.00 0.00 0.00 175.10 176.11 3a17 s MET 43 N 1.26 2.78 -0.30 2.72 -1.94 0.10 -1.29 119.30 122.63 3a17 s MET 43 Ca 0.03 -1.11 -0.03 0.00 -1.71 0.00 0.00 55.69 52.87 3a17 s MET 43 Cb -0.13 -3.70 0.04 0.00 2.01 0.00 0.00 34.83 33.05 3a17 s MET 43 CO -0.10 -0.71 0.02 0.20 -0.01 0.00 0.00 175.02 174.42 3a17 s GLY 44 N 1.53 1.76 -0.32 -0.03 0.00 -0.11 -1.12 107.32 109.04 3a17 s GLY 44 Ca 0.01 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 42.89 3a17 s GLY 44 CO 0.06 0.69 0.24 -0.19 0.00 0.00 0.00 173.10 173.90 3a17 s TYR 45 N 1.30 3.23 -0.19 1.90 1.51 -0.41 -0.69 117.35 123.99 3a17 s TYR 45 Ca -0.04 -0.09 -0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3a17 s TYR 45 Cb -0.19 -2.46 0.01 0.00 -0.11 0.00 0.00 41.96 39.21 3a17 s TYR 45 CO -0.00 -0.30 -0.14 -0.51 -1.11 0.00 0.00 175.55 173.48 3a17 s LEU 46 N 1.76 2.40 0.09 -1.29 1.02 0.13 -0.10 118.68 122.69 3a17 s LEU 46 Ca 0.07 -0.56 0.08 0.00 0.02 0.00 0.00 54.13 53.74 3a17 s LEU 46 Cb -0.17 -1.57 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 3a17 s LEU 46 CO 0.11 -0.01 -0.18 -0.83 0.02 0.00 0.00 176.35 175.46 3a17 s GLY 47 N 1.36 1.65 -0.11 -3.19 0.00 0.54 -0.11 107.32 107.44 3a17 s GLY 47 Ca 0.05 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.51 3a17 s GLY 47 CO -0.10 -1.24 -0.22 0.14 0.00 0.00 0.00 173.10 171.68 3a17 s VAL 48 N -1.06 1.97 -0.04 1.40 1.01 0.47 -1.98 120.40 122.16 3a17 s VAL 48 Ca 0.17 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3a17 s VAL 48 Cb -0.11 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3a17 s VAL 48 CO 0.08 0.54 -0.22 -1.58 0.00 0.00 0.00 175.10 173.92 3a17 s GLN 49 N 0.59 2.38 0.02 2.72 0.74 0.13 -0.48 119.66 125.75 3a17 s GLN 49 Ca -0.13 -0.84 -0.18 0.00 0.05 0.00 0.00 55.36 54.26 3a17 s GLN 49 Cb -0.17 -2.20 0.03 0.00 1.10 0.00 0.00 33.01 31.78 3a17 s GLN 49 CO 0.04 0.53 0.39 -0.59 -0.55 0.00 0.00 175.29 175.11 3a17 s PHE 50 N -0.52 -0.26 -0.26 1.67 -0.71 -0.16 -0.68 117.98 117.06 3a17 s PHE 50 Ca 0.07 0.29 -0.02 0.00 -1.04 0.00 0.00 56.93 56.23 3a17 s PHE 50 Cb -0.11 0.18 -0.16 0.00 -1.21 0.00 0.00 43.02 41.73 3a17 s PHE 50 CO 0.01 -0.51 -0.26 -2.13 -1.34 0.00 0.00 175.22 170.98 3a17 n ARG 51 N 0.78 0.63 -3.88 1.99 0.63 -1.26 -0.02 116.66 115.53 3a17 n ARG 51 Ca -0.19 0.18 -0.26 0.00 -0.92 0.00 0.00 57.85 56.65 3a17 n ARG 51 Cb 0.58 -1.51 -0.03 0.00 0.45 0.00 0.00 32.46 31.96 3a17 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a17 s ASP 52 N -6.74 6.35 0.38 6.15 1.01 -1.26 -4.75 116.67 117.81 3a17 s ASP 52 Ca -0.36 0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.19 3a17 s ASP 52 Cb 0.10 -1.93 0.78 0.00 1.01 0.00 0.00 42.92 42.88 3a17 s ASP 52 CO 0.57 0.02 2.00 -0.33 0.21 0.00 0.00 175.17 177.64 3a17 h GLU 53 N 2.04 0.67 0.00 8.23 4.39 -2.02 -2.35 114.58 125.55 3a17 h GLU 53 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3a17 h GLU 53 Cb 1.20 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 3a17 h GLU 53 CO 0.68 0.44 0.00 -0.40 -1.16 0.00 0.00 179.01 178.57 3a17 n ASP 54 N -4.47 0.00 0.01 1.42 5.68 -1.26 -2.75 116.55 115.19 3a17 n ASP 54 Ca 0.07 -0.69 0.12 0.00 -0.50 0.00 0.00 54.79 53.79 3a17 n ASP 54 Cb 0.15 -0.08 0.14 0.00 -1.14 0.00 0.00 41.12 40.19 3a17 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a17 n GLN 55 N -1.08 0.09 0.01 0.11 6.02 -0.88 -4.51 117.38 117.14 3a17 n GLN 55 Ca 0.19 0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 57.09 3a17 n GLN 55 Cb 0.13 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 3a17 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a17 h ARG 56 N 0.00 -0.02 -0.60 -1.09 2.43 -1.62 -0.93 114.38 112.55 3a17 h ARG 56 Ca 0.00 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.27 3a17 h ARG 56 Cb 0.57 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.05 3a17 h ARG 56 CO 0.00 -0.01 0.20 -1.35 -1.51 0.00 0.00 179.97 177.29 3a17 h PRO 57 N -0.02 0.35 -0.51 0.20 0.11 -1.82 0.19 132.00 130.50 3a17 h PRO 57 Ca 0.04 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 3a17 h PRO 57 Cb 0.07 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 3a17 h PRO 57 CO -0.08 0.23 0.06 0.00 -0.21 0.00 0.00 178.00 178.00 3a17 h ALA 58 N 1.43 1.13 -0.18 -0.75 0.00 -1.80 -2.36 119.26 116.73 3a17 h ALA 58 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a17 h ALA 58 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3a17 h ALA 58 CO -0.33 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.44 3a17 h ALA 59 N 1.28 0.25 -0.75 0.00 0.00 -0.06 -1.92 119.26 118.07 3a17 h ALA 59 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3a17 h ALA 59 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3a17 h ALA 59 CO 0.01 0.03 0.32 -0.07 0.00 0.00 0.00 179.25 179.54 3a17 h LEU 60 N 0.05 1.00 -0.56 0.00 3.38 -0.63 -1.36 115.31 117.19 3a17 h LEU 60 Ca 0.04 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3a17 h LEU 60 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3a17 h LEU 60 CO 0.02 0.87 -0.25 -0.61 0.09 0.00 0.00 178.44 178.56 3a17 h GLN 61 N 1.07 0.90 -0.56 1.13 5.75 -1.41 -0.70 115.11 121.29 3a17 h GLN 61 Ca 0.25 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.38 3a17 h GLN 61 Cb 0.17 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3a17 h GLN 61 CO -0.03 1.04 0.36 0.00 -2.65 0.00 0.00 178.83 177.55 3a17 h ALA 62 N 0.94 0.71 -0.87 3.38 0.00 -1.06 -0.52 119.26 121.84 3a17 h ALA 62 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3a17 h ALA 62 Cb 0.80 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3a17 h ALA 62 CO 0.07 0.12 0.57 1.98 0.00 0.00 0.00 179.25 181.98 3a17 h MET 63 N 0.73 1.09 0.00 0.00 1.85 -0.96 -1.88 114.93 115.75 3a17 h MET 63 Ca 0.21 -0.07 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 3a17 h MET 63 Cb -0.05 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 31.72 3a17 h MET 63 CO -0.06 0.72 -0.31 0.00 -0.40 0.00 0.00 176.91 176.85 3a17 h ARG 64 N 1.12 0.00 -0.22 0.39 3.08 -0.52 -1.67 114.38 116.56 3a17 h ARG 64 Ca 0.34 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.29 3a17 h ARG 64 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3a17 h ARG 64 CO -0.10 0.31 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.44 3a17 h ASP 65 N 0.00 0.58 -0.51 7.04 3.32 -0.60 -1.97 116.42 124.27 3a17 h ASP 65 Ca -0.00 -0.48 0.04 0.00 0.02 0.00 0.00 57.03 56.60 3a17 h ASP 65 Cb 0.58 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3a17 h ASP 65 CO 0.04 0.94 0.28 0.40 -1.72 0.00 0.00 179.24 179.18 3a17 h ILE 66 N 0.23 1.00 -0.32 0.35 2.04 -1.14 -1.01 117.51 118.66 3a17 h ILE 66 Ca 0.03 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 3a17 h ILE 66 Cb 0.79 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3a17 h ILE 66 CO 0.06 0.10 -0.18 0.58 0.00 0.00 0.00 178.15 178.71 3a17 h VAL 67 N 0.55 1.25 -0.69 1.67 2.07 -1.31 -2.71 116.25 117.09 3a17 h VAL 67 Ca 0.22 -1.17 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 3a17 h VAL 67 Cb 0.09 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 3a17 h VAL 67 CO -0.13 0.38 0.13 0.00 0.02 0.00 0.00 177.57 177.97 3a17 h ALA 68 N 1.29 0.93 0.00 1.67 0.00 -0.98 -2.55 119.26 119.62 3a17 h ALA 68 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a17 h ALA 68 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a17 h ALA 68 CO 0.04 0.67 0.07 0.78 0.00 0.00 0.00 179.25 180.81 3a17 h GLY 69 N 1.06 0.00 2.00 0.00 0.00 -0.86 -1.70 103.07 103.58 3a17 h GLY 69 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 3a17 h GLY 69 CO 0.01 0.00 -0.21 0.74 0.00 0.00 0.00 176.54 177.08 3a17 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.40 -3.14 116.94 118.04 3a17 h PHE 70 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a17 h PHE 70 Cb 0.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3a17 h PHE 70 CO 0.00 0.21 0.00 -0.25 -0.60 0.00 0.00 178.31 177.67 3a17 n ASP 71 N -3.25 0.57 -4.73 2.17 9.92 -0.64 -4.14 116.55 116.45 3a17 n ASP 71 Ca 0.01 0.58 -0.32 0.00 -0.53 0.00 0.00 54.79 54.53 3a17 n ASP 71 Cb 0.49 -0.72 0.11 0.00 -0.64 0.00 0.00 41.12 40.36 3a17 n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a17 s LEU 72 N -4.11 3.05 0.46 0.64 1.43 -1.19 -4.93 118.68 114.03 3a17 s LEU 72 Ca 0.10 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 55.00 3a17 s LEU 72 Cb 0.13 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.70 3a17 s LEU 72 CO 0.51 -2.36 0.86 -2.65 0.23 0.00 0.00 176.35 172.94 3a17 n PRO 73 N -3.51 1.03 -1.24 1.29 -0.02 -1.26 -2.32 135.00 128.96 3a17 n PRO 73 Ca 0.11 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.88 3a17 n PRO 73 Cb 0.52 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3a17 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a17 n ASP 74 N 0.49 -4.53 -4.59 2.55 8.00 -1.26 -4.75 116.55 112.46 3a17 n ASP 74 Ca 0.11 0.21 -0.29 0.00 0.71 0.00 0.00 54.79 55.53 3a17 n ASP 74 Cb 0.41 -2.77 0.21 0.00 -0.02 0.00 0.00 41.12 38.95 3a17 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a17 s GLY 75 N -2.61 1.57 0.37 0.44 0.00 -0.98 -4.49 107.32 101.62 3a17 s GLY 75 Ca 0.00 -0.12 -0.27 0.00 0.00 0.00 0.00 44.72 44.33 3a17 s GLY 75 CO 0.00 0.51 1.29 2.56 0.00 0.00 0.00 173.10 177.46 3a17 s PRO 76 N -4.69 4.15 0.48 2.90 0.04 -1.26 -4.93 135.00 131.70 3a17 s PRO 76 Ca 0.67 2.14 0.16 0.00 0.04 0.00 0.00 61.00 64.01 3a17 s PRO 76 Cb -0.22 -2.89 1.15 0.00 0.04 0.00 0.00 34.50 32.58 3a17 s PRO 76 CO 0.61 -0.33 2.06 0.00 0.04 0.00 0.00 177.00 179.37 3a17 h ALA 77 N 2.99 1.75 -2.56 8.56 0.00 -1.18 -3.45 119.26 125.38 3a17 h ALA 77 Ca -0.49 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3a17 h ALA 77 Cb 1.24 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 77 CO 0.64 0.15 -0.28 -1.58 0.00 0.00 0.00 179.25 178.18 3a17 s HIS 78 N -4.74 -0.06 0.10 0.00 5.65 -1.19 -5.00 115.29 110.04 3a17 s HIS 78 Ca -0.04 -0.11 -0.21 0.00 0.25 0.00 0.00 55.06 54.95 3a17 s HIS 78 Cb 0.16 0.07 0.05 0.00 -1.18 0.00 0.00 32.58 31.68 3a17 s HIS 78 CO 0.68 -0.50 0.52 -3.38 -0.65 0.00 0.00 174.74 171.41 3a17 s HIS 79 N -2.65 -0.42 0.09 3.88 -0.00 -1.26 -0.99 115.29 113.93 3a17 s HIS 79 Ca -0.04 0.32 -0.11 0.00 -0.00 0.00 0.00 55.06 55.23 3a17 s HIS 79 Cb -0.01 0.40 0.01 0.00 -0.00 0.00 0.00 32.58 32.98 3a17 s HIS 79 CO -0.04 -0.72 0.25 0.16 -0.00 0.00 0.00 174.74 174.38 3a17 s ASP 80 N -2.39 0.01 -0.07 7.38 1.47 -0.79 -5.00 116.67 117.29 3a17 s ASP 80 Ca -0.02 -0.50 0.05 0.00 1.18 0.00 0.00 52.55 53.26 3a17 s ASP 80 Cb -0.00 0.37 -0.01 0.00 -0.34 0.00 0.00 42.92 42.93 3a17 s ASP 80 CO -0.07 -0.73 -0.23 -0.76 0.68 0.00 0.00 175.17 174.06 3a17 s LEU 81 N -2.69 2.19 0.25 2.11 1.43 -1.26 -1.28 118.68 119.43 3a17 s LEU 81 Ca 0.02 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3a17 s LEU 81 Cb 0.03 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3a17 s LEU 81 CO -0.10 0.24 0.05 0.42 0.23 0.00 0.00 176.35 177.19 3a17 s THR 82 N -0.10 0.80 -0.00 5.49 -4.23 0.37 -0.58 115.64 117.39 3a17 s THR 82 Ca -0.05 -2.01 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3a17 s THR 82 Cb -0.14 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 3a17 s THR 82 CO 0.04 -0.17 -0.07 -2.28 -0.54 0.00 0.00 174.62 171.60 3a17 s HIS 83 N -3.58 0.67 0.03 3.99 5.04 0.30 -1.12 115.29 120.61 3a17 s HIS 83 Ca 0.33 -0.14 -0.20 0.00 -1.54 0.00 0.00 55.06 53.51 3a17 s HIS 83 Cb 0.07 -0.43 0.04 0.00 0.04 0.00 0.00 32.58 32.31 3a17 s HIS 83 CO 0.11 -0.01 0.46 -3.38 -2.34 0.00 0.00 174.74 169.58 3a17 s HIS 84 N -0.21 -0.34 -0.26 3.88 -3.43 -0.68 -1.51 115.29 112.73 3a17 s HIS 84 Ca 0.03 0.41 -0.10 0.00 -0.80 0.00 0.00 55.06 54.59 3a17 s HIS 84 Cb -0.03 0.26 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 3a17 s HIS 84 CO -0.00 -0.57 0.15 0.42 -2.00 0.00 0.00 174.74 172.74 3a17 s ILE 85 N -2.15 5.07 0.91 -5.38 1.01 -1.26 0.06 121.20 119.45 3a17 s ILE 85 Ca -0.07 0.08 -0.15 0.00 0.00 0.00 0.00 60.65 60.51 3a17 s ILE 85 Cb -0.01 -3.39 0.21 0.00 0.01 0.00 0.00 42.46 39.27 3a17 s ILE 85 CO 0.00 0.29 1.24 -0.90 0.00 0.00 0.00 174.94 175.58 3a17 n ASP 86 N 4.84 0.13 -0.00 3.58 5.68 -0.17 -4.92 116.55 125.69 3a17 n ASP 86 Ca -0.15 -1.47 0.12 0.00 -0.50 0.00 0.00 54.79 52.79 3a17 n ASP 86 Cb 0.52 -0.94 0.72 0.00 -1.14 0.00 0.00 41.12 40.28 3a17 n ASP 86 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a17 n ASN 87 N -3.78 0.01 -1.01 -1.12 0.23 -1.26 -1.76 115.26 106.57 3a17 n ASN 87 Ca 0.16 -1.24 0.12 0.00 -0.53 0.00 0.00 54.58 53.08 3a17 n ASN 87 Cb 0.54 -0.00 0.14 0.00 -2.08 0.00 0.00 39.78 38.38 3a17 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a17 n GLN 88 N -0.87 2.34 -0.67 -3.83 1.13 -1.26 -4.97 117.38 109.24 3a17 n GLN 88 Ca 0.18 -2.03 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 3a17 n GLN 88 Cb 0.09 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3a17 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a17 n GLY 89 N 1.37 0.80 3.75 1.08 0.00 -0.72 -5.05 105.19 106.42 3a17 n GLY 89 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3a17 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a17 s TYR 90 N -3.05 3.87 0.06 1.61 1.51 -1.26 -4.79 117.35 115.30 3a17 s TYR 90 Ca 0.00 1.73 -0.22 0.00 -1.01 0.00 0.00 57.07 57.57 3a17 s TYR 90 Cb 0.00 -2.92 -0.06 0.00 -0.11 0.00 0.00 41.96 38.87 3a17 s TYR 90 CO 0.00 0.36 0.65 -1.21 -1.11 0.00 0.00 175.55 174.24 3a17 s GLU 91 N -0.60 4.35 -0.15 -0.62 2.02 0.97 -1.00 118.70 123.68 3a17 s GLU 91 Ca 0.41 0.86 -0.01 0.00 0.02 0.00 0.00 54.97 56.26 3a17 s GLU 91 Cb -0.23 -3.30 0.04 0.00 0.10 0.00 0.00 34.13 30.74 3a17 s GLU 91 CO 0.28 0.48 -0.05 -0.80 0.02 0.00 0.00 175.26 175.19 3a17 s ASN 92 N -0.63 2.66 -0.16 -0.19 0.01 0.11 -0.99 114.94 115.75 3a17 s ASN 92 Ca 0.32 -0.58 -0.15 0.00 -0.71 0.00 0.00 52.86 51.74 3a17 s ASN 92 Cb -0.20 -0.87 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 3a17 s ASN 92 CO 0.20 -0.18 0.37 -0.76 -1.51 0.00 0.00 177.10 175.22 3a17 s LEU 93 N 1.67 4.23 -0.09 0.60 1.43 0.37 -1.68 118.68 125.21 3a17 s LEU 93 Ca 0.02 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3a17 s LEU 93 Cb -0.15 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.60 3a17 s LEU 93 CO -0.08 0.04 -0.15 -0.63 0.23 0.00 0.00 176.35 175.76 3a17 s ILE 94 N 0.69 1.39 -0.25 -0.59 1.01 -0.28 -0.39 121.20 122.78 3a17 s ILE 94 Ca 0.20 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3a17 s ILE 94 Cb -0.14 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3a17 s ILE 94 CO 0.06 0.42 0.14 -0.69 0.00 0.00 0.00 174.94 174.87 3a17 s VAL 95 N 0.82 5.06 -0.20 2.92 1.01 0.84 -0.48 120.40 130.36 3a17 s VAL 95 Ca -0.11 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3a17 s VAL 95 Cb -0.16 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3a17 s VAL 95 CO 0.02 0.32 0.04 0.54 0.00 0.00 0.00 175.10 176.02 3a17 s VAL 96 N 1.34 4.38 0.03 2.92 0.11 -0.41 0.19 120.40 128.96 3a17 s VAL 96 Ca 0.07 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.01 3a17 s VAL 96 Cb -0.15 -2.99 -0.03 0.00 -1.53 0.00 0.00 36.38 31.68 3a17 s VAL 96 CO 0.06 0.42 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.27 3a17 s GLY 97 N 0.84 1.61 -0.14 6.54 0.00 0.13 -1.88 107.32 114.42 3a17 s GLY 97 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3a17 s GLY 97 CO 0.02 -1.03 -0.19 -0.19 0.00 0.00 0.00 173.10 171.71 3a17 s TYR 98 N -0.94 2.71 0.15 1.90 2.02 -0.16 -0.94 117.35 122.10 3a17 s TYR 98 Ca 0.15 -1.13 0.07 0.00 -0.37 0.00 0.00 57.07 55.79 3a17 s TYR 98 Cb -0.11 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3a17 s TYR 98 CO 0.06 -0.50 0.01 -1.58 -1.57 0.00 0.00 175.55 171.96 3a17 s TRP 99 N 0.72 2.89 -0.53 2.71 0.51 -0.41 -0.51 118.94 124.32 3a17 s TRP 99 Ca -0.08 -0.11 0.24 0.00 -2.12 0.00 0.00 56.10 54.03 3a17 s TRP 99 Cb -0.16 -1.42 0.25 0.00 -0.81 0.00 0.00 33.47 31.33 3a17 s TRP 99 CO 0.01 0.51 1.25 0.87 -0.51 0.00 0.00 176.95 179.08 3a17 h LYS 100 N 2.86 0.00 -4.23 4.98 1.57 -1.88 -2.46 116.57 117.41 3a17 h LYS 100 Ca -0.47 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.11 3a17 h LYS 100 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3a17 h LYS 100 CO 0.58 0.00 -0.38 0.16 -0.57 0.00 0.00 179.45 179.25 3a17 s ASP 101 N -4.58 0.29 0.04 0.86 1.47 -1.23 -4.43 116.67 109.09 3a17 s ASP 101 Ca 0.04 -1.27 -0.19 0.00 1.18 0.00 0.00 52.55 52.32 3a17 s ASP 101 Cb 0.12 0.50 -0.18 0.00 -0.34 0.00 0.00 42.92 43.03 3a17 s ASP 101 CO 0.74 -1.02 1.23 0.58 0.68 0.00 0.00 175.17 177.37 3a17 h VAL 102 N 2.39 1.38 -0.16 2.11 2.07 -1.89 -3.34 116.25 118.82 3a17 h VAL 102 Ca -0.31 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.34 3a17 h VAL 102 Cb 1.25 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3a17 h VAL 102 CO 0.44 0.53 -0.33 0.77 0.02 0.00 0.00 177.57 179.00 3a17 h SER 103 N 0.05 0.32 -0.46 0.57 4.64 -1.98 -2.02 113.55 114.68 3a17 h SER 103 Ca -0.03 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3a17 h SER 103 Cb 1.08 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3a17 h SER 103 CO 0.09 0.64 0.10 0.77 -0.87 0.00 0.00 176.83 177.56 3a17 h SER 104 N 0.27 0.70 -0.17 4.97 4.64 -1.93 0.08 113.55 122.12 3a17 h SER 104 Ca 0.03 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.03 3a17 h SER 104 Cb 0.72 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 3a17 h SER 104 CO 0.05 0.76 -0.18 -0.61 -0.87 0.00 0.00 176.83 175.98 3a17 h GLN 105 N 0.61 0.58 -0.06 4.77 -0.00 -1.62 -0.79 115.11 118.60 3a17 h GLN 105 Ca 0.14 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.65 58.59 3a17 h GLN 105 Cb 0.34 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 3a17 h GLN 105 CO 0.00 0.73 0.01 1.25 0.00 0.00 0.00 178.83 180.83 3a17 h HIS 106 N 0.52 0.10 -0.82 3.99 2.76 -1.13 -0.32 115.15 120.26 3a17 h HIS 106 Ca 0.08 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3a17 h HIS 106 Cb 0.61 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.47 3a17 h HIS 106 CO 0.02 0.32 0.48 0.00 -1.30 0.00 0.00 177.93 177.45 3a17 h ARG 107 N -0.14 0.81 -0.12 5.26 3.08 -0.83 -1.05 114.38 121.38 3a17 h ARG 107 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3a17 h ARG 107 Cb 0.27 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3a17 h ARG 107 CO 0.00 0.53 -0.04 2.35 -1.07 0.00 0.00 179.97 181.75 3a17 h TRP 108 N 0.83 0.26 -0.69 3.04 7.01 -0.98 -1.45 115.95 123.97 3a17 h TRP 108 Ca 0.38 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.34 3a17 h TRP 108 Cb 0.29 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.24 3a17 h TRP 108 CO -0.05 0.54 0.44 0.77 -2.79 0.00 0.00 178.44 177.35 3a17 h SER 109 N -0.09 0.73 0.68 2.65 0.02 -0.85 -2.99 113.55 113.70 3a17 h SER 109 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3a17 h SER 109 Cb 0.46 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3a17 h SER 109 CO 0.01 0.52 -0.22 0.35 -1.14 0.00 0.00 176.83 176.36 3a17 n THR 110 N -4.65 0.00 -1.85 -2.27 -2.24 -0.42 -2.91 114.28 99.95 3a17 n THR 110 Ca 0.07 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.48 3a17 n THR 110 Cb 0.06 -0.13 0.05 0.00 -2.10 0.00 0.00 70.33 68.21 3a17 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a17 s SER 111 N -2.90 4.91 0.12 3.42 1.04 -0.55 -4.68 113.70 115.07 3a17 s SER 111 Ca 0.16 2.39 -0.20 0.00 0.48 0.00 0.00 55.95 58.77 3a17 s SER 111 Cb 0.19 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 3a17 s SER 111 CO 0.59 -1.78 1.71 0.74 0.98 0.00 0.00 173.24 175.48 3a17 h THR 112 N 0.55 0.84 -0.68 2.02 2.02 -1.90 0.10 112.91 115.87 3a17 h THR 112 Ca -0.50 -0.01 0.08 0.00 0.77 0.00 0.00 66.41 66.75 3a17 h THR 112 Cb 1.30 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3a17 h THR 112 CO 0.54 0.00 0.45 -0.65 0.37 0.00 0.00 175.52 176.23 3a17 h PRO 113 N 0.02 0.62 0.01 6.66 0.11 -1.94 -1.95 132.00 135.54 3a17 h PRO 113 Ca 0.09 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.02 3a17 h PRO 113 Cb 0.12 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3a17 h PRO 113 CO -0.17 0.41 -0.76 0.82 -0.21 0.00 0.00 178.00 178.09 3a17 h ILE 114 N 0.64 1.29 -0.51 4.15 1.08 -1.70 -3.24 117.51 119.22 3a17 h ILE 114 Ca 0.30 -2.27 -0.07 0.00 -0.39 0.00 0.00 64.86 62.43 3a17 h ILE 114 Cb 0.35 2.76 -0.02 0.00 -3.07 0.00 0.00 36.82 36.84 3a17 h ILE 114 CO -0.10 0.47 0.03 0.00 -0.69 0.00 0.00 178.15 177.87 3a17 h ALA 115 N -0.24 1.11 -0.18 1.87 0.00 -0.68 -2.41 119.26 118.73 3a17 h ALA 115 Ca -0.20 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 3a17 h ALA 115 Cb 1.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3a17 h ALA 115 CO -0.10 0.57 -0.13 0.66 0.00 0.00 0.00 179.25 180.26 3a17 h SER 116 N 0.78 0.42 -0.88 0.00 4.64 -1.53 0.29 113.55 117.27 3a17 h SER 116 Ca 0.16 -0.45 0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3a17 h SER 116 Cb 0.42 -0.12 -0.09 0.00 -0.31 0.00 0.00 62.40 62.30 3a17 h SER 116 CO 0.01 0.78 0.48 -0.25 -0.87 0.00 0.00 176.83 176.98 3a17 h TRP 117 N 0.07 0.84 -0.00 4.77 7.01 -1.57 -0.39 115.95 126.68 3a17 h TRP 117 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3a17 h TRP 117 Cb 0.64 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 3a17 h TRP 117 CO 0.07 0.22 -0.01 2.35 -2.79 0.00 0.00 178.44 178.28 3a17 h TRP 118 N 0.68 0.01 0.00 2.65 2.91 -1.26 -3.31 115.95 117.63 3a17 h TRP 118 Ca 0.48 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.49 3a17 h TRP 118 Cb 0.66 -0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.31 3a17 h TRP 118 CO -0.07 0.73 0.00 0.39 -1.03 0.00 0.00 178.44 178.45 3a17 n GLU 119 N -4.73 0.20 -1.46 2.65 1.02 0.08 -4.86 120.64 113.54 3a17 n GLU 119 Ca -0.09 0.33 -0.39 0.00 -0.02 0.00 0.00 57.16 56.98 3a17 n GLU 119 Cb 0.36 -1.82 0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3a17 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a17 n SER 120 N -2.19 -1.07 0.20 1.62 2.88 -0.17 -4.92 113.62 109.98 3a17 n SER 120 Ca 0.04 0.79 0.06 0.00 -1.33 0.00 0.00 58.87 58.43 3a17 n SER 120 Cb 0.30 -1.14 0.44 0.00 -0.75 0.00 0.00 64.21 63.06 3a17 n SER 120 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3a17 h GLU 121 N 0.44 0.00 -0.75 -1.46 3.07 -1.90 -3.24 114.58 110.74 3a17 h GLU 121 Ca -0.44 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.54 3a17 h GLU 121 Cb 1.40 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 29.23 3a17 h GLU 121 CO 0.48 0.31 0.35 -0.44 -1.40 0.00 0.00 179.01 178.32 3a17 h ASP 122 N 0.00 0.41 -0.72 1.42 3.32 -1.93 0.25 116.42 119.17 3a17 h ASP 122 Ca -0.00 0.08 0.21 0.00 0.02 0.00 0.00 57.03 57.34 3a17 h ASP 122 Cb 0.68 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 3a17 h ASP 122 CO 0.04 0.20 0.58 0.03 -1.72 0.00 0.00 179.24 178.37 3a17 h ARG 123 N 0.55 0.00 -0.00 3.56 2.47 -1.87 0.90 114.38 119.99 3a17 h ARG 123 Ca 0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 3a17 h ARG 123 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.84 3a17 h ARG 123 CO -0.34 0.00 -0.29 1.28 0.56 0.00 0.00 179.97 181.18 3a17 n LEU 124 N -4.08 0.50 0.00 3.04 4.77 0.06 -4.20 117.00 117.09 3a17 n LEU 124 Ca 0.14 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3a17 n LEU 124 Cb 0.85 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3a17 n LEU 124 CO 0.35 0.11 0.29 -1.54 -1.33 0.00 0.00 177.39 175.27 3a17 n SER 125 N -1.24 0.87 0.20 -1.43 3.41 0.25 -4.73 113.62 110.94 3a17 n SER 125 Ca 0.09 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.43 3a17 n SER 125 Cb 0.33 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.63 3a17 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a17 h ASP 126 N 0.00 0.00 0.00 4.04 5.19 0.06 -3.47 116.42 122.24 3a17 h ASP 126 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3a17 h ASP 126 Cb 0.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 3a17 h ASP 126 CO 0.00 0.31 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 3a17 n GLY 127 N 0.35 1.45 3.91 2.75 0.00 -1.26 -5.06 105.19 107.33 3a17 n GLY 127 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3a17 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a17 s LEU 128 N 0.00 4.28 0.08 0.99 1.43 -1.26 -4.93 118.68 119.27 3a17 s LEU 128 Ca 0.00 0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.34 3a17 s LEU 128 Cb 0.00 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 3a17 s LEU 128 CO 0.00 0.06 0.70 -0.83 0.23 0.00 0.00 176.35 176.51 3a17 s GLY 129 N -2.60 2.77 0.03 -3.19 0.00 0.15 -4.77 107.32 99.72 3a17 s GLY 129 Ca 0.39 0.21 0.08 0.00 0.00 0.00 0.00 44.72 45.40 3a17 s GLY 129 CO 0.26 0.82 -0.24 -1.36 0.00 0.00 0.00 173.10 172.58 3a17 s PHE 130 N -0.66 2.13 0.05 1.90 0.08 0.49 0.23 117.98 122.20 3a17 s PHE 130 Ca 0.34 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 3a17 s PHE 130 Cb -0.21 -1.29 -0.00 0.00 -0.57 0.00 0.00 43.02 40.95 3a17 s PHE 130 CO 0.22 0.09 0.16 -0.59 -0.10 0.00 0.00 175.22 175.00 3a17 s PHE 131 N -0.76 0.13 -0.06 0.36 -0.12 -0.84 0.74 117.98 117.43 3a17 s PHE 131 Ca 0.10 -0.43 -0.01 0.00 -0.05 0.00 0.00 56.93 56.54 3a17 s PHE 131 Cb -0.09 -0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.24 3a17 s PHE 131 CO 0.01 -0.43 0.01 -0.98 -0.05 0.00 0.00 175.22 173.78 3a17 s ARG 132 N -2.86 0.50 -0.44 1.99 1.70 0.43 -0.34 118.95 119.94 3a17 s ARG 132 Ca -0.03 0.13 0.02 0.00 -0.47 0.00 0.00 55.73 55.38 3a17 s ARG 132 Cb 0.00 -0.86 0.12 0.00 -0.57 0.00 0.00 34.95 33.64 3a17 s ARG 132 CO -0.06 -0.28 0.18 -1.21 -1.08 0.00 0.00 175.30 172.86 3a17 s GLU 133 N 1.85 1.84 -0.21 3.89 2.02 0.86 -1.04 118.70 127.91 3a17 s GLU 133 Ca 0.03 -2.15 -0.02 0.00 0.02 0.00 0.00 54.97 52.84 3a17 s GLU 133 Cb -0.12 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.74 3a17 s GLU 133 CO -0.04 -1.04 -0.10 0.42 0.02 0.00 0.00 175.26 174.52 3a17 s ILE 134 N 0.50 2.89 0.04 -1.63 1.01 0.31 -1.29 121.20 123.03 3a17 s ILE 134 Ca 0.13 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.14 3a17 s ILE 134 Cb -0.22 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 3a17 s ILE 134 CO -0.05 0.44 -0.15 0.68 0.00 0.00 0.00 174.94 175.87 3a17 s VAL 135 N 1.40 1.19 -0.49 2.92 -7.23 -0.27 -0.61 120.40 117.31 3a17 s VAL 135 Ca 0.05 -1.04 0.04 0.00 -1.81 0.00 0.00 61.98 59.22 3a17 s VAL 135 Cb -0.14 -1.07 0.17 0.00 0.56 0.00 0.00 36.38 35.89 3a17 s VAL 135 CO -0.07 0.03 0.37 0.00 -0.31 0.00 0.00 175.10 175.12 3a17 s ALA 136 N -0.85 2.06 0.26 1.32 0.00 -0.48 0.02 121.76 124.09 3a17 s ALA 136 Ca 0.02 -2.79 -0.29 0.00 0.00 0.00 0.00 51.96 48.90 3a17 s ALA 136 Cb -0.08 -1.76 -0.09 0.00 0.00 0.00 0.00 23.12 21.18 3a17 s ALA 136 CO 0.01 -2.02 0.99 -1.25 0.00 0.00 0.00 175.76 173.49 3a17 s PRO 137 N -0.27 4.76 0.88 0.00 0.04 -1.22 -4.82 135.00 134.38 3a17 s PRO 137 Ca 0.29 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 3a17 s PRO 137 Cb -0.02 -3.19 0.12 0.00 0.04 0.00 0.00 34.50 31.45 3a17 s PRO 137 CO -0.17 0.40 1.09 1.03 0.04 0.00 0.00 177.00 179.39 3a17 s ARG 138 N -1.37 1.37 0.48 4.56 0.52 -1.26 -1.85 118.95 121.40 3a17 s ARG 138 Ca 0.43 0.98 0.26 0.00 -0.52 0.00 0.00 55.73 56.89 3a17 s ARG 138 Cb -0.27 -1.81 1.32 0.00 0.52 0.00 0.00 34.95 34.72 3a17 s ARG 138 CO 0.34 -2.21 1.85 0.00 0.02 0.00 0.00 175.30 175.30 3a17 h ALA 139 N -1.53 2.61 -0.00 2.13 0.00 -0.65 0.14 119.26 121.96 3a17 h ALA 139 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3a17 h ALA 139 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3a17 h ALA 139 CO 0.52 -0.92 -0.16 -0.85 0.00 0.00 0.00 179.25 177.84 3a17 n GLU 140 N -4.38 0.34 -0.46 0.00 0.28 -1.26 -3.83 120.64 111.33 3a17 n GLU 140 Ca 0.21 -0.11 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 3a17 n GLU 140 Cb 0.92 -1.50 0.27 0.00 1.43 0.00 0.00 31.44 32.56 3a17 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a17 n GLN 141 N -1.23 3.27 -3.82 3.44 6.02 0.47 -1.63 117.38 123.90 3a17 n GLN 141 Ca 0.10 -2.70 -0.11 0.00 -0.01 0.00 0.00 57.00 54.28 3a17 n GLN 141 Cb 0.31 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.72 3a17 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a17 s PHE 142 N -2.23 0.01 0.04 1.08 -0.12 -1.23 -1.55 117.98 113.97 3a17 s PHE 142 Ca 0.41 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 3a17 s PHE 142 Cb 0.30 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 3a17 s PHE 142 CO 0.14 -0.45 -0.06 -1.83 -0.05 0.00 0.00 175.22 172.97 3a17 s GLU 143 N -2.56 0.48 0.03 1.99 4.04 -0.38 -4.61 118.70 117.69 3a17 s GLU 143 Ca -0.05 -0.80 0.06 0.00 0.04 0.00 0.00 54.97 54.22 3a17 s GLU 143 Cb -0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 34.13 34.02 3a17 s GLU 143 CO -0.04 -0.01 -0.18 0.95 -1.84 0.00 0.00 175.26 174.15 3a17 s THR 144 N -1.83 1.41 -0.04 1.83 -4.23 -1.26 -1.02 115.64 110.51 3a17 s THR 144 Ca -0.09 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3a17 s THR 144 Cb -0.07 -1.23 0.02 0.00 1.34 0.00 0.00 72.50 72.56 3a17 s THR 144 CO -0.01 0.18 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.01 3a17 s LEU 145 N -1.00 1.22 -0.04 4.79 2.96 -0.70 -4.46 118.68 121.47 3a17 s LEU 145 Ca 0.05 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3a17 s LEU 145 Cb -0.08 -0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.30 3a17 s LEU 145 CO 0.01 -0.08 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.52 3a17 s TYR 146 N 0.99 1.32 -0.29 5.38 2.02 0.16 -0.69 117.35 126.25 3a17 s TYR 146 Ca -0.10 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3a17 s TYR 146 Cb -0.14 -0.92 0.35 0.00 -0.40 0.00 0.00 41.96 40.85 3a17 s TYR 146 CO -0.01 -0.14 1.66 0.00 -1.57 0.00 0.00 175.55 175.48 3a17 n ALA 147 N 3.28 4.56 -3.80 3.71 0.00 -0.44 -0.45 120.51 127.36 3a17 n ALA 147 Ca -0.19 -1.74 -0.02 0.00 0.00 0.00 0.00 53.44 51.49 3a17 n ALA 147 Cb 0.53 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3a17 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a17 s PHE 148 N -1.96 -0.03 0.00 0.00 -0.12 -1.26 -4.78 117.98 109.83 3a17 s PHE 148 Ca 0.34 -0.29 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 3a17 s PHE 148 Cb 0.28 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 43.32 3a17 s PHE 148 CO 0.04 -0.78 0.00 1.04 -0.05 0.00 0.00 175.22 175.48 3a17 n GLN 149 N -0.58 3.63 -4.89 1.99 6.02 -1.26 -4.59 117.38 117.69 3a17 n GLN 149 Ca -0.05 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.63 3a17 n GLN 149 Cb 0.60 -0.66 -0.14 0.00 1.02 0.00 0.00 30.24 31.07 3a17 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a17 s GLU 150 N -1.25 2.08 -1.08 -1.09 1.03 -1.26 -4.75 118.70 112.39 3a17 s GLU 150 Ca 0.00 -0.95 -0.15 0.00 0.03 0.00 0.00 54.97 53.90 3a17 s GLU 150 Cb 0.00 -2.14 -0.03 0.00 -0.80 0.00 0.00 34.13 31.16 3a17 s GLU 150 CO 0.00 0.55 0.83 -0.25 -1.33 0.00 0.00 175.26 175.06 3a17 n ASP 151 N 1.92 -5.90 -4.69 0.83 8.00 -1.26 -4.86 116.55 110.58 3a17 n ASP 151 Ca -0.16 -0.87 -0.42 0.00 0.71 0.00 0.00 54.79 54.05 3a17 n ASP 151 Cb 0.52 -4.04 -0.03 0.00 -0.02 0.00 0.00 41.12 37.55 3a17 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a17 s LEU 152 N -5.95 4.36 0.96 0.64 1.43 -1.26 -5.01 118.68 113.85 3a17 s LEU 152 Ca 0.44 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 55.83 3a17 s LEU 152 Cb -0.12 -3.56 0.19 0.00 0.03 0.00 0.00 46.19 42.73 3a17 s LEU 152 CO 0.82 -0.86 1.28 -2.16 0.23 0.00 0.00 176.35 175.66 3a17 s PRO 153 N 2.50 0.66 5.41 1.29 0.04 -1.26 -2.93 135.00 140.71 3a17 s PRO 153 Ca 0.72 -0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.46 3a17 s PRO 153 Cb -0.39 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3a17 s PRO 153 CO 0.31 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.34 3a17 n GLY 154 N -3.45 2.38 0.25 0.56 0.00 -1.26 -2.53 105.19 101.14 3a17 n GLY 154 Ca 0.14 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.82 3a17 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a17 h VAL 155 N 0.00 0.44 -0.15 1.61 3.04 -1.98 -2.59 116.25 116.62 3a17 h VAL 155 Ca 0.00 -0.81 0.04 0.00 -1.01 0.00 0.00 66.70 64.92 3a17 h VAL 155 Cb 0.00 1.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 3a17 h VAL 155 CO 0.00 0.15 0.14 1.23 -1.01 0.00 0.00 177.57 178.07 3a17 h GLY 156 N 1.66 0.00 2.00 3.17 0.00 -1.77 -1.44 103.07 106.69 3a17 h GLY 156 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3a17 h GLY 156 CO 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 176.41 3a17 h ALA 157 N 1.87 1.26 -0.33 3.60 0.00 -1.33 -2.99 119.26 121.33 3a17 h ALA 157 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3a17 h ALA 157 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3a17 h ALA 157 CO -0.00 0.18 0.00 1.33 0.00 0.00 0.00 179.25 180.76 3a17 n VAL 158 N -3.65 0.58 -2.72 0.00 0.24 -0.55 -4.93 118.33 107.31 3a17 n VAL 158 Ca -0.02 -0.79 -0.21 0.00 -2.04 0.00 0.00 64.34 61.29 3a17 n VAL 158 Cb 0.27 0.87 0.06 0.00 -1.47 0.00 0.00 33.84 33.57 3a17 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a17 s MET 159 N -1.21 2.31 -0.00 7.34 -1.94 -1.13 -4.94 119.30 119.73 3a17 s MET 159 Ca 0.30 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.02 3a17 s MET 159 Cb 0.18 -2.50 -0.19 0.00 2.01 0.00 0.00 34.83 34.33 3a17 s MET 159 CO 0.24 -0.88 1.22 -0.44 -0.01 0.00 0.00 175.02 175.15 3a17 h ASP 160 N -0.01 0.27 0.00 3.03 3.32 -1.04 -3.49 116.42 118.50 3a17 h ASP 160 Ca -0.39 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.07 3a17 h ASP 160 Cb 1.29 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3a17 h ASP 160 CO 0.47 0.81 0.00 0.61 -1.72 0.00 0.00 179.24 179.41 3a17 n GLY 161 N 0.52 1.33 3.73 2.75 0.00 -1.03 -5.01 105.19 107.48 3a17 n GLY 161 Ca -0.08 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3a17 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a17 s ILE 162 N -1.90 4.49 0.89 -0.61 1.10 -1.26 -0.08 121.20 123.84 3a17 s ILE 162 Ca 0.00 -0.37 -0.14 0.00 -0.51 0.00 0.00 60.65 59.63 3a17 s ILE 162 Cb 0.00 -2.98 0.15 0.00 0.15 0.00 0.00 42.46 39.78 3a17 s ILE 162 CO 0.00 0.46 1.25 -0.94 -2.11 0.00 0.00 174.94 173.60 3a17 s SER 163 N -1.37 3.74 1.01 4.50 1.04 -0.57 -4.83 113.70 117.22 3a17 s SER 163 Ca 0.18 0.47 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 3a17 s SER 163 Cb -0.12 -0.72 0.06 0.00 0.10 0.00 0.00 66.02 65.35 3a17 s SER 163 CO 0.08 -2.36 0.33 0.61 0.98 0.00 0.00 173.24 172.89 3a17 n GLY 164 N -3.55 -1.37 3.67 7.32 0.00 -1.26 -4.71 105.19 105.29 3a17 n GLY 164 Ca 0.12 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 3a17 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a17 s GLU 165 N -3.73 4.14 0.32 1.61 2.02 -1.26 -4.53 118.70 117.28 3a17 s GLU 165 Ca 0.19 2.57 -0.01 0.00 0.02 0.00 0.00 54.97 57.74 3a17 s GLU 165 Cb -0.01 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 3a17 s GLU 165 CO 0.13 -0.90 0.54 0.96 0.02 0.00 0.00 175.26 176.01 3a17 s ILE 166 N 3.76 5.09 -0.13 -1.63 -4.36 -0.86 -3.67 121.20 119.40 3a17 s ILE 166 Ca 0.84 -0.31 -0.23 0.00 -0.26 0.00 0.00 60.65 60.69 3a17 s ILE 166 Cb -0.43 -3.82 -0.26 0.00 1.25 0.00 0.00 42.46 39.20 3a17 s ILE 166 CO 0.39 -0.47 0.64 -1.13 0.24 0.00 0.00 174.94 174.61 3a17 h ASN 167 N 1.11 0.18 0.00 4.36 -0.73 -1.75 -3.43 115.58 115.31 3a17 h ASN 167 Ca -0.49 -0.86 -0.70 0.00 1.87 0.00 0.00 56.30 56.12 3a17 h ASN 167 Cb 1.21 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 39.72 3a17 h ASN 167 CO 0.63 1.31 3.25 -0.62 -0.37 0.00 0.00 177.43 181.64 3a17 n GLU 168 N -4.33 2.97 -3.82 6.67 4.71 -1.26 -4.47 120.64 121.11 3a17 n GLU 168 Ca -0.19 -2.50 -0.08 0.00 -0.01 0.00 0.00 57.16 54.38 3a17 n GLU 168 Cb 0.68 -3.19 -0.03 0.00 -1.01 0.00 0.00 31.44 27.90 3a17 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a17 s HIS 169 N 3.05 -0.15 0.00 -0.32 -3.43 -1.26 -4.65 115.29 108.54 3a17 s HIS 169 Ca 0.51 -0.26 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 3a17 s HIS 169 Cb 0.15 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.89 3a17 s HIS 169 CO -0.08 -1.13 0.00 0.41 -2.00 0.00 0.00 174.74 171.94 3a17 n GLY 170 N -0.43 0.78 3.13 -1.38 0.00 -1.26 -4.68 105.19 101.35 3a17 n GLY 170 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 3a17 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a17 s TYR 171 N -2.19 0.30 -0.05 1.61 1.13 -1.26 -4.90 117.35 111.98 3a17 s TYR 171 Ca 0.00 -0.72 -0.30 0.00 -1.41 0.00 0.00 57.07 54.64 3a17 s TYR 171 Cb 0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.62 3a17 s TYR 171 CO 0.00 -0.42 1.30 -1.58 -2.51 0.00 0.00 175.55 172.33 3a17 s TRP 172 N -3.44 2.97 0.00 -3.49 0.52 -1.26 -2.16 118.94 112.09 3a17 s TRP 172 Ca 0.02 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.15 3a17 s TRP 172 Cb 0.04 -3.54 0.00 0.00 -1.15 0.00 0.00 33.47 28.82 3a17 s TRP 172 CO -0.08 -1.86 0.00 0.41 0.02 0.00 0.00 176.95 175.43 3a17 n GLY 173 N 3.53 1.66 0.21 0.98 0.00 -1.26 -4.98 105.19 105.33 3a17 n GLY 173 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3a17 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a17 h SER 174 N 0.00 0.54 -0.13 1.61 4.64 -1.75 -2.96 113.55 115.50 3a17 h SER 174 Ca 0.00 -0.26 0.05 0.00 -0.47 0.00 0.00 61.79 61.11 3a17 h SER 174 Cb 0.00 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.88 3a17 h SER 174 CO 0.00 0.92 -0.23 -0.03 -0.87 0.00 0.00 176.83 176.62 3a17 h MET 175 N 0.40 -0.29 -0.56 4.77 -1.53 -1.82 -2.14 114.93 113.76 3a17 h MET 175 Ca 0.02 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.42 3a17 h MET 175 Cb 0.97 0.07 -0.09 0.00 -0.55 0.00 0.00 31.60 31.99 3a17 h MET 175 CO 0.09 -0.19 0.02 -0.09 0.14 0.00 0.00 176.91 176.88 3a17 h ARG 176 N -0.30 0.13 0.00 0.39 2.43 -1.94 -1.71 114.38 113.38 3a17 h ARG 176 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3a17 h ARG 176 Cb 0.45 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3a17 h ARG 176 CO -0.30 0.09 0.00 0.93 -1.51 0.00 0.00 179.97 179.18 3a17 h GLU 177 N 0.14 0.00 0.00 0.20 5.08 -1.27 -1.23 114.58 117.50 3a17 h GLU 177 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3a17 h GLU 177 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3a17 h GLU 177 CO -0.46 0.00 -0.39 0.54 -1.00 0.00 0.00 179.01 177.70 3a17 n ARG 178 N -2.39 0.17 -2.40 2.33 1.74 -0.65 -4.69 116.66 110.77 3a17 n ARG 178 Ca 0.01 0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 3a17 n ARG 178 Cb 0.20 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 3a17 n ARG 178 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3a17 s PHE 179 N -3.09 2.73 0.30 -1.55 0.40 -0.46 -4.62 117.98 111.69 3a17 s PHE 179 Ca 0.09 0.92 0.05 0.00 -0.60 0.00 0.00 56.93 57.39 3a17 s PHE 179 Cb 0.15 -3.67 0.70 0.00 0.51 0.00 0.00 43.02 40.71 3a17 s PHE 179 CO 0.66 -1.82 1.77 -1.35 0.70 0.00 0.00 175.22 175.19 3a17 h PRO 180 N 8.73 0.71 0.00 0.24 0.11 -1.81 -1.64 132.00 138.34 3a17 h PRO 180 Ca -0.27 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3a17 h PRO 180 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3a17 h PRO 180 CO 0.99 0.47 0.00 0.97 -0.21 0.00 0.00 178.00 180.22 3a17 h ILE 181 N 0.73 0.00 0.00 4.15 2.10 -1.67 -2.52 117.51 120.30 3a17 h ILE 181 Ca 0.56 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.31 3a17 h ILE 181 Cb 0.86 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.60 3a17 h ILE 181 CO -0.39 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.14 3a17 n SER 182 N -2.71 0.00 0.12 2.19 3.41 -0.61 0.01 113.62 116.03 3a17 n SER 182 Ca -0.01 0.43 0.01 0.00 -0.26 0.00 0.00 58.87 59.05 3a17 n SER 182 Cb 0.16 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 64.00 3a17 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a17 h GLN 183 N 0.00 0.20 0.00 4.33 4.20 -1.63 -3.36 115.11 118.84 3a17 h GLN 183 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3a17 h GLN 183 Cb 0.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3a17 h GLN 183 CO 0.00 0.43 -0.59 0.25 -0.67 0.00 0.00 178.83 178.26 3a17 n THR 184 N -4.19 0.00 -4.73 -0.54 -2.24 -0.60 -0.35 114.28 101.64 3a17 n THR 184 Ca -0.01 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 3a17 n THR 184 Cb 0.34 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 68.99 3a17 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a17 s ASP 185 N -1.40 1.99 0.06 3.42 -1.08 0.10 -4.81 116.67 114.96 3a17 s ASP 185 Ca 0.00 -0.35 0.24 0.00 -0.52 0.00 0.00 52.55 51.92 3a17 s ASP 185 Cb 0.00 -0.20 0.98 0.00 -1.46 0.00 0.00 42.92 42.23 3a17 s ASP 185 CO 0.00 0.18 1.76 0.79 0.52 0.00 0.00 175.17 178.42 3a17 n TRP 186 N 2.48 0.22 -4.06 -5.34 7.02 -1.26 -4.14 117.44 112.35 3a17 n TRP 186 Ca -0.15 0.07 -0.32 0.00 -1.02 0.00 0.00 57.50 56.08 3a17 n TRP 186 Cb 0.54 -0.62 -0.01 0.00 -2.42 0.00 0.00 31.31 28.81 3a17 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a17 n MET 187 N -1.69 -3.92 -2.32 -0.99 2.81 -1.26 -4.91 117.12 104.84 3a17 n MET 187 Ca 0.05 0.45 -0.41 0.00 -1.81 0.00 0.00 57.70 55.99 3a17 n MET 187 Cb 0.30 -5.10 -0.03 0.00 -0.71 0.00 0.00 33.22 27.67 3a17 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a17 s GLN 188 N -6.73 4.51 0.15 0.03 0.74 -1.26 -4.63 119.66 112.47 3a17 s GLN 188 Ca 0.54 1.97 -0.21 0.00 0.05 0.00 0.00 55.36 57.72 3a17 s GLN 188 Cb -0.29 -3.15 -0.08 0.00 1.10 0.00 0.00 33.01 30.59 3a17 s GLN 188 CO 0.89 0.01 0.67 0.00 -0.55 0.00 0.00 175.29 176.31 3a17 s ALA 189 N -0.94 3.50 0.07 1.58 0.00 -1.26 -4.62 121.76 120.08 3a17 s ALA 189 Ca 0.48 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 3a17 s ALA 189 Cb -0.35 -2.77 0.02 0.00 0.00 0.00 0.00 23.12 20.02 3a17 s ALA 189 CO 0.44 0.35 0.30 -1.54 0.00 0.00 0.00 175.76 175.31 3a17 s SER 190 N -1.35 -0.09 0.00 0.00 1.04 -1.23 -5.06 113.70 107.01 3a17 s SER 190 Ca 0.36 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3a17 s SER 190 Cb -0.19 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3a17 s SER 190 CO 0.22 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3a17 n GLY 191 N 0.25 0.05 3.51 7.32 0.00 -1.26 -2.69 105.19 112.37 3a17 n GLY 191 Ca -0.17 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.76 3a17 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a17 s GLU 192 N -1.87 1.84 -0.29 1.61 8.01 -1.26 -4.93 118.70 121.81 3a17 s GLU 192 Ca 0.00 -1.40 -0.29 0.00 0.01 0.00 0.00 54.97 53.29 3a17 s GLU 192 Cb 0.00 -2.02 0.01 0.00 -4.31 0.00 0.00 34.13 27.81 3a17 s GLU 192 CO 0.00 0.41 1.11 -1.17 0.01 0.00 0.00 175.26 175.62 3a17 s LEU 193 N -2.82 3.98 -0.02 1.80 2.96 -1.26 -4.36 118.68 118.96 3a17 s LEU 193 Ca 0.24 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.35 3a17 s LEU 193 Cb -0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.07 3a17 s LEU 193 CO 0.13 -0.85 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.13 3a17 s ARG 194 N 3.60 0.60 0.21 1.98 0.52 -0.91 -1.40 118.95 123.55 3a17 s ARG 194 Ca 0.47 -0.19 -0.30 0.00 -0.52 0.00 0.00 55.73 55.19 3a17 s ARG 194 Cb -0.14 -0.60 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 3a17 s ARG 194 CO 0.14 0.07 1.32 0.08 0.02 0.00 0.00 175.30 176.93 3a17 s VAL 195 N 0.17 3.14 0.00 3.52 1.01 -0.60 0.29 120.40 127.94 3a17 s VAL 195 Ca -0.02 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.91 3a17 s VAL 195 Cb -0.06 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3a17 s VAL 195 CO -0.00 0.14 0.24 2.30 0.00 0.00 0.00 175.10 177.78 3a17 n ILE 196 N 2.56 0.00 -3.67 2.22 -5.35 -0.25 -4.33 119.36 110.54 3a17 n ILE 196 Ca 0.06 -0.45 -0.09 0.00 -0.27 0.00 0.00 62.75 61.99 3a17 n ILE 196 Cb 0.42 1.05 -0.09 0.00 -1.74 0.00 0.00 39.64 39.28 3a17 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a17 s ALA 197 N -0.43 -1.40 0.00 -1.28 0.00 -1.17 -4.97 121.76 112.51 3a17 s ALA 197 Ca 0.00 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3a17 s ALA 197 Cb 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.00 3a17 s ALA 197 CO 0.00 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3a17 n GLY 198 N 4.16 -1.97 2.86 0.00 0.00 -1.26 -0.97 105.19 108.00 3a17 n GLY 198 Ca -0.21 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 3a17 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a17 s ASP 199 N -4.00 0.88 0.46 1.61 -1.08 -1.26 -4.74 116.67 108.54 3a17 s ASP 199 Ca 0.00 0.12 0.20 0.00 -0.52 0.00 0.00 52.55 52.35 3a17 s ASP 199 Cb 0.00 0.57 1.18 0.00 -1.46 0.00 0.00 42.92 43.21 3a17 s ASP 199 CO 0.00 -0.29 1.92 -0.65 0.52 0.00 0.00 175.17 176.67 3a17 h PRO 200 N 8.29 0.27 0.00 4.34 0.11 -1.92 -0.45 132.00 142.64 3a17 h PRO 200 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3a17 h PRO 200 Cb 1.14 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a17 h PRO 200 CO 0.23 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.20 3a17 n ALA 201 N -2.57 2.08 0.27 -0.75 0.00 -1.26 -3.15 120.51 115.14 3a17 n ALA 201 Ca 0.15 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.53 3a17 n ALA 201 Cb 0.64 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.70 3a17 n ALA 201 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a17 n VAL 202 N -1.27 0.00 -4.11 0.00 0.31 -0.18 -5.09 118.33 107.99 3a17 n VAL 202 Ca 0.10 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3a17 n VAL 202 Cb 0.16 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 33.87 3a17 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a17 n GLY 203 N 1.46 -1.31 7.00 2.92 0.00 -1.19 -5.04 105.19 109.02 3a17 n GLY 203 Ca 0.01 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3a17 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a17 n GLY 204 N 0.00 0.20 3.71 -0.02 0.00 -1.26 -4.69 105.19 103.12 3a17 n GLY 204 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 3a17 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a17 s ARG 205 N 0.00 4.49 -0.04 1.61 0.52 -1.26 -1.18 118.95 123.09 3a17 s ARG 205 Ca 0.00 1.24 0.01 0.00 -0.52 0.00 0.00 55.73 56.47 3a17 s ARG 205 Cb 0.00 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 32.01 3a17 s ARG 205 CO 0.00 -0.08 -0.06 0.08 0.02 0.00 0.00 175.30 175.26 3a17 s VAL 206 N 1.19 0.61 -0.13 3.52 1.01 0.59 -4.29 120.40 122.90 3a17 s VAL 206 Ca 0.47 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 3a17 s VAL 206 Cb -0.19 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3a17 s VAL 206 CO 0.23 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 3a17 s VAL 207 N 0.67 3.06 -0.13 2.92 1.01 -0.15 -0.98 120.40 126.80 3a17 s VAL 207 Ca -0.10 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3a17 s VAL 207 Cb -0.13 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3a17 s VAL 207 CO 0.01 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.89 3a17 s VAL 208 N 0.40 3.81 -0.14 2.92 1.01 -0.46 -1.09 120.40 126.86 3a17 s VAL 208 Ca -0.10 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3a17 s VAL 208 Cb -0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3a17 s VAL 208 CO 0.05 0.53 0.35 -0.60 0.00 0.00 0.00 175.10 175.43 3a17 s ARG 209 N 0.03 4.23 0.99 2.72 3.52 0.15 -3.57 118.95 127.01 3a17 s ARG 209 Ca -0.00 0.21 -0.16 0.00 -0.13 0.00 0.00 55.73 55.65 3a17 s ARG 209 Cb -0.13 -3.41 0.20 0.00 -1.56 0.00 0.00 34.95 30.05 3a17 s ARG 209 CO 0.03 0.26 1.27 0.20 -0.81 0.00 0.00 175.30 176.25 3a17 s GLY 210 N 0.36 1.72 0.44 8.12 0.00 -1.26 -2.14 107.32 114.55 3a17 s GLY 210 Ca 0.20 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.88 3a17 s GLY 210 CO 0.06 -0.32 0.02 -2.38 0.00 0.00 0.00 173.10 170.49 3a17 s HIS 211 N -3.68 2.12 0.32 1.90 -3.43 -1.26 -4.77 115.29 106.48 3a17 s HIS 211 Ca 0.72 -0.88 -0.29 0.00 -0.80 0.00 0.00 55.06 53.81 3a17 s HIS 211 Cb -0.06 -1.59 -0.11 0.00 -1.43 0.00 0.00 32.58 29.39 3a17 s HIS 211 CO 0.53 0.23 1.48 -0.51 -2.00 0.00 0.00 174.74 174.48 3a17 s ASP 212 N -3.74 6.48 -1.51 7.38 1.01 -1.10 -3.62 116.67 121.57 3a17 s ASP 212 Ca 0.22 2.89 -0.06 0.00 0.71 0.00 0.00 52.55 56.31 3a17 s ASP 212 Cb 0.06 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.36 3a17 s ASP 212 CO 0.11 -0.80 0.66 0.59 0.21 0.00 0.00 175.17 175.94 3a17 n ASN 213 N 1.41 -5.86 -4.75 0.27 3.02 0.66 -3.50 115.26 106.50 3a17 n ASN 213 Ca 0.04 -0.33 -0.38 0.00 -0.03 0.00 0.00 54.58 53.88 3a17 n ASN 213 Cb 0.39 -4.73 0.03 0.00 -0.61 0.00 0.00 39.78 34.86 3a17 n ASN 213 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a17 s ILE 214 N -3.17 2.38 0.16 2.41 1.01 -1.24 -4.10 121.20 118.66 3a17 s ILE 214 Ca 0.35 0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.37 3a17 s ILE 214 Cb -0.16 -3.13 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 3a17 s ILE 214 CO 0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 174.94 175.22 3a17 s ALA 215 N -1.41 2.84 -0.08 9.38 0.00 -0.44 -2.93 121.76 129.11 3a17 s ALA 215 Ca 0.72 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3a17 s ALA 215 Cb -0.36 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.11 3a17 s ALA 215 CO 0.42 0.51 -0.02 -1.17 0.00 0.00 0.00 175.76 175.50 3a17 s LEU 216 N -2.60 0.72 -0.18 0.00 2.96 0.27 -0.82 118.68 119.03 3a17 s LEU 216 Ca 0.22 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3a17 s LEU 216 Cb -0.09 -0.53 -0.03 0.00 0.50 0.00 0.00 46.19 46.04 3a17 s LEU 216 CO 0.13 -0.18 -0.00 -0.51 -1.32 0.00 0.00 176.35 174.47 3a17 s ILE 217 N 1.91 4.08 -0.33 6.68 2.07 -0.55 -0.99 121.20 134.08 3a17 s ILE 217 Ca 0.05 -0.28 -0.07 0.00 -1.41 0.00 0.00 60.65 58.94 3a17 s ILE 217 Cb -0.12 -2.83 0.02 0.00 0.13 0.00 0.00 42.46 39.67 3a17 s ILE 217 CO -0.06 0.46 0.11 -0.60 -1.91 0.00 0.00 174.94 172.94 3a17 s ARG 218 N 0.66 2.85 -0.18 3.50 3.52 0.32 -1.65 118.95 127.97 3a17 s ARG 218 Ca -0.00 -1.03 0.01 0.00 -0.13 0.00 0.00 55.73 54.58 3a17 s ARG 218 Cb -0.14 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3a17 s ARG 218 CO 0.02 -0.58 -0.20 0.45 -0.81 0.00 0.00 175.30 174.19 3a17 s SER 219 N 1.47 3.16 0.27 -2.12 0.15 -0.95 -0.25 113.70 115.42 3a17 s SER 219 Ca 0.01 -0.64 0.11 0.00 0.70 0.00 0.00 55.95 56.13 3a17 s SER 219 Cb -0.18 -1.48 -0.05 0.00 -1.71 0.00 0.00 66.02 62.59 3a17 s SER 219 CO 0.03 0.01 -0.19 -0.83 1.20 0.00 0.00 173.24 173.46 3a17 s GLY 220 N 1.25 1.81 -0.04 9.45 0.00 0.31 -0.26 107.32 119.84 3a17 s GLY 220 Ca 0.04 -1.84 -0.01 0.00 0.00 0.00 0.00 44.72 42.91 3a17 s GLY 220 CO -0.12 -1.93 0.02 1.20 0.00 0.00 0.00 173.10 172.27 3a17 s GLN 221 N -3.51 0.24 -0.22 2.90 1.11 0.78 -2.85 119.66 118.11 3a17 s GLN 221 Ca 0.29 0.17 -0.01 0.00 0.01 0.00 0.00 55.36 55.81 3a17 s GLN 221 Cb -0.04 -0.57 0.06 0.00 -1.01 0.00 0.00 33.01 31.45 3a17 s GLN 221 CO 0.14 -0.22 0.00 0.34 0.01 0.00 0.00 175.29 175.56 3a17 s ASP 222 N 1.50 3.37 -0.11 5.90 2.15 0.03 -0.04 116.67 129.48 3a17 s ASP 222 Ca -0.03 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.08 3a17 s ASP 222 Cb -0.13 -0.86 0.26 0.00 -0.30 0.00 0.00 42.92 41.90 3a17 s ASP 222 CO -0.03 -0.28 1.15 -2.67 -0.17 0.00 0.00 175.17 173.17 3a17 n TRP 223 N 4.88 0.11 0.13 -5.34 2.14 -0.59 -0.71 117.44 118.06 3a17 n TRP 223 Ca -0.10 -0.89 0.04 0.00 2.07 0.00 0.00 57.50 58.63 3a17 n TRP 223 Cb 0.46 -0.15 0.47 0.00 -0.81 0.00 0.00 31.31 31.28 3a17 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a17 h ALA 224 N 0.24 1.70 -0.15 -1.67 0.00 -1.78 -2.51 119.26 115.09 3a17 h ALA 224 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a17 h ALA 224 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3a17 h ALA 224 CO 0.02 0.23 0.00 -0.25 0.00 0.00 0.00 179.25 179.26 3a17 n ASP 225 N -4.40 3.02 -4.75 0.00 8.00 -1.26 -5.00 116.55 112.16 3a17 n ASP 225 Ca -0.00 -1.96 -0.41 0.00 0.71 0.00 0.00 54.79 53.13 3a17 n ASP 225 Cb 0.17 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3a17 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 s ALA 226 N -1.83 3.47 0.94 2.24 0.00 -0.95 -4.87 121.76 120.77 3a17 s ALA 226 Ca 0.32 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 3a17 s ALA 226 Cb 0.21 -3.43 0.16 0.00 0.00 0.00 0.00 23.12 20.06 3a17 s ALA 226 CO 0.31 -0.44 1.13 -1.21 0.00 0.00 0.00 175.76 175.54 3a17 s GLU 227 N -1.06 0.89 0.26 0.00 0.41 -1.26 -4.58 118.70 113.36 3a17 s GLU 227 Ca 0.50 0.32 -0.06 0.00 -0.41 0.00 0.00 54.97 55.32 3a17 s GLU 227 Cb -0.36 -1.81 0.49 0.00 -1.78 0.00 0.00 34.13 30.67 3a17 s GLU 227 CO 0.44 -2.38 1.60 0.00 -0.49 0.00 0.00 175.26 174.43 3a17 h ALA 228 N -1.63 0.79 -0.33 5.21 0.00 -1.98 0.50 119.26 121.82 3a17 h ALA 228 Ca -0.51 0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3a17 h ALA 228 Cb 1.33 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3a17 h ALA 228 CO 0.60 -0.45 -0.14 0.38 0.00 0.00 0.00 179.25 179.65 3a17 h ASP 229 N 0.04 0.70 0.48 0.00 2.03 -1.99 -1.44 116.42 116.25 3a17 h ASP 229 Ca 0.46 -0.40 -0.20 0.00 -0.73 0.00 0.00 57.03 56.16 3a17 h ASP 229 Cb 0.81 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.11 3a17 h ASP 229 CO -0.82 0.94 -0.88 -0.08 -1.03 0.00 0.00 179.24 177.37 3a17 h GLU 230 N 0.46 0.27 -0.72 4.15 4.81 -1.75 0.38 114.58 122.18 3a17 h GLU 230 Ca 0.08 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.07 3a17 h GLU 230 Cb 0.67 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.07 3a17 h GLU 230 CO 0.04 0.99 0.42 -0.09 -0.73 0.00 0.00 179.01 179.65 3a17 h ARG 231 N 0.16 0.76 -0.05 1.92 2.43 0.03 -1.98 114.38 117.66 3a17 h ARG 231 Ca -0.05 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.87 3a17 h ARG 231 Cb 1.50 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 30.90 3a17 h ARG 231 CO 0.14 0.50 -0.75 1.03 -1.51 0.00 0.00 179.97 179.39 3a17 h SER 232 N 0.78 0.74 -0.51 -3.80 0.87 -1.03 -1.08 113.55 109.52 3a17 h SER 232 Ca 0.31 -0.71 0.10 0.00 -1.23 0.00 0.00 61.79 60.26 3a17 h SER 232 Cb 0.15 -0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 61.79 3a17 h SER 232 CO -0.17 1.34 -0.31 0.25 -0.53 0.00 0.00 176.83 177.41 3a17 h LEU 233 N 0.20 -1.05 0.07 2.23 5.85 -0.83 0.35 115.31 122.12 3a17 h LEU 233 Ca -0.08 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3a17 h LEU 233 Cb 1.41 0.52 0.00 0.00 0.37 0.00 0.00 40.66 42.97 3a17 h LEU 233 CO 0.15 -0.30 -0.03 0.22 -0.34 0.00 0.00 178.44 178.14 3a17 h TYR 234 N -0.18 -0.08 -0.09 1.25 3.20 -1.37 -1.77 116.97 117.92 3a17 h TYR 234 Ca 0.21 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.89 3a17 h TYR 234 Cb 0.53 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 3a17 h TYR 234 CO -0.58 0.43 -0.73 -0.07 -1.64 0.00 0.00 178.16 175.58 3a17 h LEU 235 N -0.66 0.55 0.00 2.82 3.38 -1.13 0.33 115.31 120.61 3a17 h LEU 235 Ca -0.01 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 3a17 h LEU 235 Cb 0.55 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3a17 h LEU 235 CO 0.01 1.11 -1.80 0.47 0.09 0.00 0.00 178.44 178.32 3a17 n ASP 236 N -3.86 0.29 -0.04 -0.43 8.00 0.12 -4.35 116.55 116.28 3a17 n ASP 236 Ca -0.05 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.49 3a17 n ASP 236 Cb 0.71 1.25 -0.03 0.00 -0.02 0.00 0.00 41.12 43.03 3a17 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a17 n GLU 237 N -2.52 0.19 -0.07 -1.24 1.02 -0.88 -4.71 120.64 112.42 3a17 n GLU 237 Ca -0.09 0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.98 3a17 n GLU 237 Cb 0.71 -0.94 -0.11 0.00 -0.02 0.00 0.00 31.44 31.09 3a17 n GLU 237 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3a17 h ILE 238 N -0.20 1.36 -0.46 -3.67 2.04 -1.05 -3.40 117.51 112.13 3a17 h ILE 238 Ca -0.21 -2.11 0.07 0.00 1.00 0.00 0.00 64.86 63.62 3a17 h ILE 238 Cb 1.22 2.65 -0.06 0.00 -0.74 0.00 0.00 36.82 39.90 3a17 h ILE 238 CO -0.10 0.46 0.13 0.25 0.00 0.00 0.00 178.15 178.89 3a17 h LEU 239 N -1.00 0.09 -0.97 1.44 5.85 -0.55 -2.25 115.31 117.92 3a17 h LEU 239 Ca -0.06 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.94 3a17 h LEU 239 Cb 0.91 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 3a17 h LEU 239 CO -0.04 0.08 0.55 -0.65 -0.34 0.00 0.00 178.44 178.04 3a17 h PRO 240 N 0.28 0.59 -0.13 5.25 0.11 -1.77 0.91 132.00 137.25 3a17 h PRO 240 Ca 0.22 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.08 3a17 h PRO 240 Cb 0.26 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.24 3a17 h PRO 240 CO -0.26 0.39 -0.79 1.15 -0.21 0.00 0.00 178.00 178.28 3a17 h THR 241 N 0.61 1.30 -0.69 -1.15 2.02 -1.67 -2.20 112.91 111.13 3a17 h THR 241 Ca 0.59 -2.03 -0.04 0.00 0.77 0.00 0.00 66.41 65.71 3a17 h THR 241 Cb 1.04 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.46 3a17 h THR 241 CO -0.45 0.64 0.30 0.25 0.37 0.00 0.00 175.52 176.63 3a17 h LEU 242 N 0.48 0.94 -0.16 2.58 5.85 -0.38 -1.52 115.31 123.10 3a17 h LEU 242 Ca -0.05 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.54 3a17 h LEU 242 Cb 1.41 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 3a17 h LEU 242 CO 0.16 0.84 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.45 3a17 h GLN 243 N 0.98 0.01 -0.81 1.25 5.75 0.79 0.15 115.11 123.23 3a17 h GLN 243 Ca 0.23 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.78 3a17 h GLN 243 Cb 0.18 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.67 3a17 h GLN 243 CO -0.02 0.00 0.50 1.03 -2.65 0.00 0.00 178.83 177.69 3a17 h SER 244 N 0.01 0.79 -0.36 -0.69 0.87 -1.17 0.15 113.55 113.15 3a17 h SER 244 Ca 0.08 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 3a17 h SER 244 Cb 0.12 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3a17 h SER 244 CO -0.16 0.52 0.10 1.23 -0.53 0.00 0.00 176.83 177.99 3a17 h GLY 245 N 0.93 0.62 1.12 5.77 0.00 -0.71 -1.44 103.07 109.36 3a17 h GLY 245 Ca 0.35 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3a17 h GLY 245 CO -0.16 0.35 0.28 -0.33 0.00 0.00 0.00 176.54 176.69 3a17 h MET 246 N 0.44 1.12 -0.67 4.80 2.07 -0.12 -1.91 114.93 120.66 3a17 h MET 246 Ca 0.12 -0.20 -0.05 0.00 -2.07 0.00 0.00 59.70 57.49 3a17 h MET 246 Cb 0.27 -0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 3a17 h MET 246 CO -0.00 0.91 0.22 -0.44 1.07 0.00 0.00 176.91 178.67 3a17 h ASP 247 N 1.09 0.97 0.54 1.22 3.32 -0.53 -1.10 116.42 121.92 3a17 h ASP 247 Ca 0.25 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3a17 h ASP 247 Cb 0.22 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 3a17 h ASP 247 CO -0.02 0.91 -0.31 0.15 -1.72 0.00 0.00 179.24 178.25 3a17 h PHE 248 N 0.97 -0.82 -0.84 4.55 3.57 -0.86 -0.26 116.94 123.24 3a17 h PHE 248 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3a17 h PHE 248 Cb 0.28 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 3a17 h PHE 248 CO 0.02 -0.48 0.55 -0.07 -2.23 0.00 0.00 178.31 176.10 3a17 h LEU 249 N -0.80 0.88 -0.60 0.59 3.38 -1.30 0.60 115.31 118.07 3a17 h LEU 249 Ca -0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3a17 h LEU 249 Cb 0.64 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 3a17 h LEU 249 CO 0.08 0.60 0.19 -0.09 0.09 0.00 0.00 178.44 179.31 3a17 h ARG 250 N 1.02 0.93 -0.01 1.13 2.43 -0.91 -2.57 114.38 116.39 3a17 h ARG 250 Ca 0.34 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3a17 h ARG 250 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3a17 h ARG 250 CO -0.11 0.83 -0.66 -0.25 -1.51 0.00 0.00 179.97 178.27 3a17 n ASP 251 N -4.41 1.58 -1.23 -3.80 8.00 -0.13 -4.37 116.55 112.18 3a17 n ASP 251 Ca 0.03 -1.29 0.04 0.00 0.71 0.00 0.00 54.79 54.29 3a17 n ASP 251 Cb 0.21 0.68 0.09 0.00 -0.02 0.00 0.00 41.12 42.08 3a17 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a17 n ASN 252 N -0.60 1.30 0.00 -2.24 3.02 0.20 -4.94 115.26 112.00 3a17 n ASN 252 Ca 0.07 -2.67 -0.12 0.00 -0.03 0.00 0.00 54.58 51.83 3a17 n ASN 252 Cb 0.40 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.11 3a17 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a17 h GLY 253 N 1.05 -1.20 0.16 7.41 0.00 -1.63 -2.45 103.07 106.40 3a17 h GLY 253 Ca -0.14 0.68 0.22 0.00 0.00 0.00 0.00 47.33 48.08 3a17 h GLY 253 CO 0.08 -0.29 0.62 -2.55 0.00 0.00 0.00 176.54 174.40 3a17 h PRO 254 N -0.47 0.46 0.00 4.80 0.11 -1.89 -0.82 132.00 134.20 3a17 h PRO 254 Ca 0.02 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3a17 h PRO 254 Cb 0.53 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3a17 h PRO 254 CO -0.33 0.31 -0.13 0.00 -0.21 0.00 0.00 178.00 177.64 3a17 h ALA 255 N 1.61 1.27 0.00 -0.75 0.00 -1.81 -3.23 119.26 116.36 3a17 h ALA 255 Ca 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3a17 h ALA 255 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a17 h ALA 255 CO -0.24 0.16 0.00 1.33 0.00 0.00 0.00 179.25 180.49 3a17 n VAL 256 N -3.63 0.00 0.00 0.00 0.24 -0.86 -5.02 118.33 109.07 3a17 n VAL 256 Ca -0.02 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3a17 n VAL 256 Cb 0.25 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.64 3a17 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a17 n GLY 257 N 0.43 1.20 3.38 7.63 0.00 -0.76 -4.75 105.19 112.32 3a17 n GLY 257 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3a17 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a17 h TYR 259 N 8.59 0.71 -1.89 0.00 0.05 -0.68 -3.35 116.97 120.39 3a17 h TYR 259 Ca -0.26 -0.08 0.07 0.00 0.05 0.00 0.00 58.73 58.51 3a17 h TYR 259 Cb 1.11 -0.20 -0.21 0.00 1.01 0.00 0.00 36.73 38.43 3a17 h TYR 259 CO 0.59 0.66 -0.03 0.45 -1.05 0.00 0.00 178.16 178.78 3a17 s SER 260 N -6.67 -1.01 -0.10 3.88 0.15 -1.19 -4.63 113.70 104.13 3a17 s SER 260 Ca -0.09 1.46 0.02 0.00 0.70 0.00 0.00 55.95 58.05 3a17 s SER 260 Cb 0.15 1.92 -0.01 0.00 -1.71 0.00 0.00 66.02 66.37 3a17 s SER 260 CO 0.79 -0.21 -0.18 0.21 1.20 0.00 0.00 173.24 175.04 3a17 s ASN 261 N 2.40 3.58 -0.03 5.45 2.47 -1.26 -0.83 114.94 126.72 3a17 s ASN 261 Ca -0.07 -0.42 0.03 0.00 0.42 0.00 0.00 52.86 52.82 3a17 s ASN 261 Cb -0.09 -1.39 0.00 0.00 -1.45 0.00 0.00 41.25 38.32 3a17 s ASN 261 CO -0.19 0.19 -0.12 -0.13 -3.72 0.00 0.00 177.10 173.13 3a17 s ARG 262 N 0.20 1.28 -0.31 0.43 0.52 -0.15 -4.70 118.95 116.22 3a17 s ARG 262 Ca -0.11 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3a17 s ARG 262 Cb -0.16 -1.15 0.08 0.00 0.52 0.00 0.00 34.95 34.24 3a17 s ARG 262 CO 0.06 0.15 0.00 0.12 0.02 0.00 0.00 175.30 175.66 3a17 s PHE 263 N 0.17 3.53 0.18 -0.53 5.36 -1.26 -0.71 117.98 124.72 3a17 s PHE 263 Ca -0.04 -2.62 0.09 0.00 -0.96 0.00 0.00 56.93 53.40 3a17 s PHE 263 Cb -0.10 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 40.01 3a17 s PHE 263 CO 0.01 -0.91 -0.10 0.14 -1.46 0.00 0.00 175.22 172.90 3a17 s VAL 264 N 1.02 3.18 -0.06 3.12 -7.23 -0.11 -4.78 120.40 115.55 3a17 s VAL 264 Ca 0.02 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 3a17 s VAL 264 Cb -0.20 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 3a17 s VAL 264 CO -0.06 -0.10 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.81 3a17 s ARG 265 N -2.80 2.63 0.44 4.82 3.52 -0.57 -1.70 118.95 125.29 3a17 s ARG 265 Ca 0.25 -0.84 -0.25 0.00 -0.13 0.00 0.00 55.73 54.76 3a17 s ARG 265 Cb -0.09 -2.26 -0.08 0.00 -1.56 0.00 0.00 34.95 30.97 3a17 s ARG 265 CO 0.15 0.41 1.28 -0.80 -0.81 0.00 0.00 175.30 175.53 3a17 s ASN 266 N -0.23 6.12 0.25 -2.12 -0.87 -0.08 -0.54 114.94 117.47 3a17 s ASN 266 Ca -0.01 2.58 0.08 0.00 -1.57 0.00 0.00 52.86 53.94 3a17 s ASN 266 Cb -0.13 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.42 3a17 s ASN 266 CO 0.03 -0.98 -0.11 0.27 -2.57 0.00 0.00 177.10 173.74 3a17 s ILE 267 N -1.34 1.79 0.83 0.60 -4.36 0.26 -0.17 121.20 118.81 3a17 s ILE 267 Ca 0.61 -2.20 -0.07 0.00 -0.26 0.00 0.00 60.65 58.74 3a17 s ILE 267 Cb -0.36 -2.26 0.17 0.00 1.25 0.00 0.00 42.46 41.26 3a17 s ILE 267 CO 0.45 -0.44 1.14 1.51 0.24 0.00 0.00 174.94 177.84 3a17 s ASP 268 N -3.40 3.75 0.58 4.36 1.47 -0.41 -4.47 116.67 118.55 3a17 s ASP 268 Ca 0.26 -0.20 0.27 0.00 1.18 0.00 0.00 52.55 54.07 3a17 s ASP 268 Cb 0.01 0.00 1.62 0.00 -0.34 0.00 0.00 42.92 44.21 3a17 s ASP 268 CO 0.10 -2.28 2.12 -0.29 0.68 0.00 0.00 175.17 175.51 3a17 h ILE 269 N -1.01 0.57 -0.01 2.11 6.09 -1.98 -1.09 117.51 122.19 3a17 h ILE 269 Ca -0.39 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 3a17 h ILE 269 Cb 1.25 0.88 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3a17 h ILE 269 CO 0.37 0.00 -0.09 0.47 -3.07 0.00 0.00 178.15 175.83 3a17 n ASP 270 N -3.96 1.58 0.00 2.19 8.00 -1.26 -4.90 116.55 118.20 3a17 n ASP 270 Ca 0.01 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 54.11 3a17 n ASP 270 Cb 0.28 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 3a17 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a17 n GLY 271 N 1.25 0.63 3.76 0.44 0.00 -0.41 -5.06 105.19 105.80 3a17 n GLY 271 Ca 0.16 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3a17 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a17 s ASN 272 N -2.22 7.50 0.27 1.61 0.01 -1.26 -4.81 114.94 116.03 3a17 s ASN 272 Ca 0.00 2.01 -0.29 0.00 -0.71 0.00 0.00 52.86 53.86 3a17 s ASN 272 Cb 0.00 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 3a17 s ASN 272 CO 0.00 0.04 1.25 -0.36 -1.51 0.00 0.00 177.10 176.53 3a17 s PHE 273 N -1.25 3.26 0.32 2.20 0.08 -1.26 -1.28 117.98 120.04 3a17 s PHE 273 Ca 0.43 1.43 0.08 0.00 0.12 0.00 0.00 56.93 58.99 3a17 s PHE 273 Cb -0.26 -3.55 -0.03 0.00 -0.57 0.00 0.00 43.02 38.61 3a17 s PHE 273 CO 0.33 -1.50 0.20 -0.51 -0.10 0.00 0.00 175.22 173.63 3a17 s LEU 274 N -1.12 3.50 -0.43 -0.37 1.43 0.76 -4.89 118.68 117.56 3a17 s LEU 274 Ca 0.50 -0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3a17 s LEU 274 Cb -0.36 -2.04 0.07 0.00 0.03 0.00 0.00 46.19 43.88 3a17 s LEU 274 CO 0.45 -0.25 2.73 0.47 0.23 0.00 0.00 176.35 179.98 3a17 n ASP 275 N -1.23 6.43 -4.13 2.29 8.00 -1.26 -4.40 116.55 122.26 3a17 n ASP 275 Ca -0.04 -3.17 -0.18 0.00 0.71 0.00 0.00 54.79 52.11 3a17 n ASP 275 Cb 0.60 -1.22 -0.13 0.00 -0.02 0.00 0.00 41.12 40.35 3a17 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a17 s LEU 276 N -2.08 2.21 0.16 0.64 1.02 -1.26 -1.54 118.68 117.83 3a17 s LEU 276 Ca 0.57 -0.51 -0.07 0.00 0.02 0.00 0.00 54.13 54.14 3a17 s LEU 276 Cb 0.37 -0.47 -0.02 0.00 0.02 0.00 0.00 46.19 46.09 3a17 s LEU 276 CO -0.20 -0.05 0.22 -0.94 0.02 0.00 0.00 176.35 175.41 3a17 s SER 277 N -1.37 0.11 0.25 2.29 1.04 0.94 -0.90 113.70 116.06 3a17 s SER 277 Ca -0.02 -0.96 -0.22 0.00 0.48 0.00 0.00 55.95 55.23 3a17 s SER 277 Cb -0.09 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.46 3a17 s SER 277 CO 0.01 -0.85 0.71 -0.72 0.98 0.00 0.00 173.24 173.37 3a17 s TYR 278 N -3.99 -0.25 -0.10 5.02 1.13 -0.69 -0.16 117.35 118.31 3a17 s TYR 278 Ca 0.19 -0.16 -0.12 0.00 -1.41 0.00 0.00 57.07 55.58 3a17 s TYR 278 Cb 0.04 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.54 3a17 s TYR 278 CO 0.01 -1.16 0.27 1.21 -2.51 0.00 0.00 175.55 173.37 3a17 s ASN 279 N -2.89 6.52 -0.35 -0.18 3.84 0.65 -0.93 114.94 121.60 3a17 s ASN 279 Ca 0.09 0.62 -0.01 0.00 0.21 0.00 0.00 52.86 53.77 3a17 s ASN 279 Cb -0.05 -2.16 0.09 0.00 -0.55 0.00 0.00 41.25 38.58 3a17 s ASN 279 CO 0.03 0.28 0.09 -0.63 -2.79 0.00 0.00 177.10 174.08 3a17 s ILE 280 N -0.52 2.92 -0.11 -5.21 1.01 0.11 -2.23 121.20 117.17 3a17 s ILE 280 Ca 0.18 -1.87 0.02 0.00 0.00 0.00 0.00 60.65 58.98 3a17 s ILE 280 Cb -0.14 -2.91 0.01 0.00 0.01 0.00 0.00 42.46 39.44 3a17 s ILE 280 CO 0.06 -0.44 -0.17 -0.83 0.00 0.00 0.00 174.94 173.57 3a17 s GLY 281 N 1.40 1.10 -0.17 6.18 0.00 -0.66 -0.97 107.32 114.20 3a17 s GLY 281 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 3a17 s GLY 281 CO -0.04 0.13 0.16 0.30 0.00 0.00 0.00 173.10 173.66 3a17 s HIS 282 N 0.88 3.47 0.01 1.90 3.76 -0.01 -1.49 115.29 123.81 3a17 s HIS 282 Ca -0.08 0.43 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 3a17 s HIS 282 Cb -0.15 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 3a17 s HIS 282 CO -0.00 0.39 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.50 3a17 s TRP 283 N 0.04 1.75 0.57 1.40 0.52 -0.00 0.03 118.94 123.26 3a17 s TRP 283 Ca 0.11 -0.35 0.38 0.00 0.02 0.00 0.00 56.10 56.26 3a17 s TRP 283 Cb -0.12 -1.10 2.07 0.00 -1.15 0.00 0.00 33.47 33.17 3a17 s TRP 283 CO 0.00 0.02 2.28 0.00 0.02 0.00 0.00 176.95 179.27 3a17 h ALA 284 N 5.35 1.18 -2.60 0.98 0.00 -1.10 -1.17 119.26 121.91 3a17 h ALA 284 Ca -0.40 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.57 3a17 h ALA 284 Cb 1.15 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 3a17 h ALA 284 CO 0.46 0.02 0.37 -1.54 0.00 0.00 0.00 179.25 178.56 3a17 s SER 285 N -5.60 -0.40 0.24 0.00 1.04 -1.26 -4.54 113.70 103.18 3a17 s SER 285 Ca -0.04 -0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.31 3a17 s SER 285 Cb 0.13 0.50 0.26 0.00 0.10 0.00 0.00 66.02 67.01 3a17 s SER 285 CO 0.48 -0.85 1.56 0.25 0.98 0.00 0.00 173.24 175.67 3a17 h LEU 286 N 2.00 0.27 -0.89 2.42 5.85 -1.82 -3.16 115.31 119.97 3a17 h LEU 286 Ca -0.26 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.23 3a17 h LEU 286 Cb 1.26 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3a17 h LEU 286 CO 0.32 0.80 -0.36 -2.24 -0.34 0.00 0.00 178.44 176.62 3a17 h ASP 287 N 0.18 0.00 -0.22 1.25 2.03 -1.95 0.14 116.42 117.85 3a17 h ASP 287 Ca -0.01 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3a17 h ASP 287 Cb 1.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.59 3a17 h ASP 287 CO 0.09 0.36 -0.09 1.56 -1.03 0.00 0.00 179.24 180.13 3a17 h GLN 288 N 0.00 0.45 -0.75 4.15 4.20 -1.89 0.18 115.11 121.45 3a17 h GLN 288 Ca -0.00 -0.19 0.09 0.00 0.06 0.00 0.00 58.65 58.61 3a17 h GLN 288 Cb 0.91 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.60 3a17 h GLN 288 CO 0.05 0.72 0.40 1.25 -0.67 0.00 0.00 178.83 180.58 3a17 h LEU 289 N 0.16 0.55 -0.34 1.46 5.85 -1.44 0.13 115.31 121.68 3a17 h LEU 289 Ca 0.05 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3a17 h LEU 289 Cb 0.58 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3a17 h LEU 289 CO 0.03 0.32 0.16 -0.33 -0.34 0.00 0.00 178.44 178.28 3a17 h GLU 290 N 0.68 0.32 -0.86 1.25 5.08 -0.53 -2.48 114.58 118.04 3a17 h GLU 290 Ca 0.37 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.67 3a17 h GLU 290 Cb 0.35 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3a17 h GLU 290 CO -0.25 0.21 0.41 0.00 -1.00 0.00 0.00 179.01 178.38 3a17 h ARG 291 N 0.33 1.24 0.20 2.33 2.47 0.37 -2.56 114.38 118.76 3a17 h ARG 291 Ca 0.15 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3a17 h ARG 291 Cb 0.07 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.17 3a17 h ARG 291 CO -0.11 0.95 -0.10 2.35 0.56 0.00 0.00 179.97 183.62 3a17 h TRP 292 N 1.22 -0.25 0.00 3.04 7.01 -0.94 -2.43 115.95 123.59 3a17 h TRP 292 Ca 0.29 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3a17 h TRP 292 Cb 0.12 0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.26 3a17 h TRP 292 CO 0.02 0.06 -0.04 0.66 -2.79 0.00 0.00 178.44 176.35 3a17 h SER 293 N -0.58 0.00 0.24 2.65 4.64 -1.38 -0.18 113.55 118.94 3a17 h SER 293 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3a17 h SER 293 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3a17 h SER 293 CO 0.05 0.04 -0.86 -1.84 -0.87 0.00 0.00 176.83 173.35 3a17 n GLU 294 N -4.36 0.06 0.00 4.77 0.28 -0.97 -4.42 120.64 116.00 3a17 n GLU 294 Ca -0.03 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3a17 n GLU 294 Cb 0.13 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.48 3a17 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a17 n SER 295 N -1.59 4.37 -4.72 -1.84 3.41 -0.92 -4.99 113.62 107.34 3a17 n SER 295 Ca 0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.24 3a17 n SER 295 Cb 0.35 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 64.86 3a17 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a17 s HIS 296 N -1.83 3.60 0.43 7.33 2.46 -0.12 -4.93 115.29 122.23 3a17 s HIS 296 Ca 0.00 1.58 0.13 0.00 0.47 0.00 0.00 55.06 57.23 3a17 s HIS 296 Cb 0.00 -3.24 1.00 0.00 -0.13 0.00 0.00 32.58 30.21 3a17 s HIS 296 CO 0.00 -0.52 1.99 -1.35 -2.47 0.00 0.00 174.74 172.38 3a17 h PRO 297 N 5.97 0.43 0.59 2.88 0.11 -1.96 -2.11 132.00 137.91 3a17 h PRO 297 Ca -0.43 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3a17 h PRO 297 Cb 1.21 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.23 3a17 h PRO 297 CO 0.75 0.28 -0.28 1.79 -0.21 0.00 0.00 178.00 180.33 3a17 h THR 298 N 0.44 0.26 -0.90 -1.15 1.35 -1.92 -0.78 112.91 110.21 3a17 h THR 298 Ca 0.27 -0.33 0.03 0.00 -0.55 0.00 0.00 66.41 65.83 3a17 h THR 298 Cb 0.47 0.35 -0.05 0.00 -1.73 0.00 0.00 68.15 67.20 3a17 h THR 298 CO -0.07 0.03 0.59 -0.74 -0.25 0.00 0.00 175.52 175.08 3a17 h HIS 299 N -1.05 1.10 -0.49 4.73 -0.00 -1.86 -2.59 115.15 114.99 3a17 h HIS 299 Ca -0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 3a17 h HIS 299 Cb 0.67 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 3a17 h HIS 299 CO 0.00 0.65 0.15 -0.07 -0.00 0.00 0.00 177.93 178.66 3a17 h LEU 300 N 1.15 0.67 -0.15 0.26 3.38 -1.22 0.07 115.31 119.47 3a17 h LEU 300 Ca 0.35 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 3a17 h LEU 300 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3a17 h LEU 300 CO -0.10 0.64 0.03 -0.09 0.09 0.00 0.00 178.44 179.01 3a17 h ARG 301 N 0.72 0.24 -0.19 1.13 2.43 -0.76 -2.33 114.38 115.61 3a17 h ARG 301 Ca 0.17 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.13 3a17 h ARG 301 Cb 0.22 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3a17 h ARG 301 CO -0.01 0.41 -0.49 -0.84 -1.51 0.00 0.00 179.97 177.53 3a17 h ILE 302 N 0.04 1.32 -0.33 1.20 3.07 -1.25 -0.42 117.51 121.14 3a17 h ILE 302 Ca 0.05 -1.71 0.07 0.00 1.55 0.00 0.00 64.86 64.82 3a17 h ILE 302 Cb 0.28 1.70 -0.08 0.00 -0.27 0.00 0.00 36.82 38.45 3a17 h ILE 302 CO 0.00 0.53 -0.22 0.15 -1.05 0.00 0.00 178.15 177.56 3a17 h PHE 303 N 0.41 -0.57 -0.45 0.16 3.57 -1.02 0.73 116.94 119.78 3a17 h PHE 303 Ca 0.02 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3a17 h PHE 303 Cb 1.01 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 3a17 h PHE 303 CO 0.04 -0.30 -0.26 1.79 -2.23 0.00 0.00 178.31 177.35 3a17 h THR 304 N -0.18 1.27 -0.53 4.41 1.35 -1.14 -1.96 112.91 116.12 3a17 h THR 304 Ca 0.17 -1.43 0.04 0.00 -0.55 0.00 0.00 66.41 64.64 3a17 h THR 304 Cb 0.44 1.20 -0.04 0.00 -1.73 0.00 0.00 68.15 68.02 3a17 h THR 304 CO -0.44 0.49 0.28 0.74 -0.25 0.00 0.00 175.52 176.34 3a17 h THR 305 N 0.82 0.97 -0.11 6.82 2.02 -0.81 -1.52 112.91 121.10 3a17 h THR 305 Ca 0.10 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 67.11 3a17 h THR 305 Cb 0.84 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3a17 h THR 305 CO 0.07 0.10 -0.05 0.15 0.37 0.00 0.00 175.52 176.16 3a17 h PHE 306 N 0.54 -0.12 -0.75 3.16 3.04 -0.57 -0.30 116.94 121.94 3a17 h PHE 306 Ca 0.23 0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.35 3a17 h PHE 306 Cb 0.12 0.07 -0.10 0.00 2.56 0.00 0.00 35.95 38.59 3a17 h PHE 306 CO -0.09 -0.08 0.25 0.74 -2.02 0.00 0.00 178.31 177.10 3a17 h PHE 307 N -0.04 0.41 -0.33 0.41 -1.00 -1.08 0.24 116.94 115.55 3a17 h PHE 307 Ca 0.06 0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 3a17 h PHE 307 Cb 0.13 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3a17 h PHE 307 CO -0.18 -0.02 -0.16 -0.09 -1.61 0.00 0.00 178.31 176.26 3a17 h ARG 308 N 0.36 0.58 -0.01 1.51 2.43 -0.56 -3.35 114.38 115.34 3a17 h ARG 308 Ca 0.42 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3a17 h ARG 308 Cb 0.69 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3a17 h ARG 308 CO -0.46 0.72 -0.12 1.55 -1.51 0.00 0.00 179.97 180.15 3a17 n VAL 309 N -4.16 0.00 -0.10 0.20 3.14 -0.19 -4.75 118.33 112.47 3a17 n VAL 309 Ca 0.01 -0.44 -0.06 0.00 -2.96 0.00 0.00 64.34 60.88 3a17 n VAL 309 Cb 0.36 1.09 0.01 0.00 -1.06 0.00 0.00 33.84 34.25 3a17 n VAL 309 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a17 h ALA 310 N 1.20 0.37 -0.15 1.55 0.00 -0.69 -2.27 119.26 119.26 3a17 h ALA 310 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3a17 h ALA 310 Cb 0.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3a17 h ALA 310 CO 0.00 -0.33 0.11 0.00 0.00 0.00 0.00 179.25 179.03 3a17 h ALA 311 N 1.25 2.10 -0.01 0.00 0.00 -1.85 -2.45 119.26 118.30 3a17 h ALA 311 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a17 h ALA 311 Cb 0.18 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a17 h ALA 311 CO -0.21 -0.19 -0.33 0.41 0.00 0.00 0.00 179.25 178.93 3a17 n GLY 312 N -1.55 -0.30 3.72 0.00 0.00 -0.87 -4.92 105.19 101.27 3a17 n GLY 312 Ca 0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3a17 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a17 s LEU 313 N -2.46 4.38 -0.03 0.99 1.43 -0.92 -4.91 118.68 117.15 3a17 s LEU 313 Ca 0.23 2.34 -0.04 0.00 -1.03 0.00 0.00 54.13 55.62 3a17 s LEU 313 Cb 0.19 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 3a17 s LEU 313 CO 0.53 -0.64 -0.10 -0.24 0.23 0.00 0.00 176.35 176.13 3a17 n SER 314 N 3.78 0.91 -0.00 2.29 2.88 -1.26 -4.90 113.62 117.32 3a17 n SER 314 Ca 0.11 0.14 0.04 0.00 -1.33 0.00 0.00 58.87 57.82 3a17 n SER 314 Cb 0.42 -0.33 -0.05 0.00 -0.75 0.00 0.00 64.21 63.50 3a17 n SER 314 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3a17 n LYS 315 N -3.54 1.38 -2.09 -1.46 4.76 -1.26 -4.97 118.16 110.99 3a17 n LYS 315 Ca -0.10 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 3a17 n LYS 315 Cb 0.39 -1.09 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 3a17 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a17 s LEU 316 N -3.22 4.34 -0.24 -0.35 2.96 -1.26 -4.63 118.68 116.28 3a17 s LEU 316 Ca -0.01 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.20 3a17 s LEU 316 Cb 0.05 -3.57 0.04 0.00 0.50 0.00 0.00 46.19 43.21 3a17 s LEU 316 CO 0.31 -0.77 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.34 3a17 s ARG 317 N 2.21 2.68 0.02 1.98 0.52 0.11 -5.00 118.95 121.46 3a17 s ARG 317 Ca 0.68 -1.07 0.09 0.00 -0.52 0.00 0.00 55.73 54.91 3a17 s ARG 317 Cb -0.36 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 3a17 s ARG 317 CO 0.29 -0.42 -0.26 -0.51 0.02 0.00 0.00 175.30 174.42 3a17 s LEU 318 N 1.25 2.12 0.05 2.53 1.43 -1.26 -0.78 118.68 124.01 3a17 s LEU 318 Ca -0.02 -0.54 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 3a17 s LEU 318 Cb -0.17 -1.30 0.09 0.00 0.03 0.00 0.00 46.19 44.84 3a17 s LEU 318 CO -0.06 0.28 0.86 -0.72 0.23 0.00 0.00 176.35 176.95 3a17 s TYR 319 N -0.72 -0.33 0.17 0.29 1.13 -1.13 -1.33 117.35 115.43 3a17 s TYR 319 Ca 0.11 0.15 -0.03 0.00 -1.41 0.00 0.00 57.07 55.89 3a17 s TYR 319 Cb -0.10 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.29 3a17 s TYR 319 CO 0.01 -0.64 0.14 -3.38 -2.51 0.00 0.00 175.55 169.16 3a17 s HIS 320 N -3.24 0.92 -0.02 -3.49 -3.43 0.14 -0.53 115.29 105.63 3a17 s HIS 320 Ca 0.06 -1.22 0.01 0.00 -0.80 0.00 0.00 55.06 53.11 3a17 s HIS 320 Cb -0.01 -0.43 0.01 0.00 -1.43 0.00 0.00 32.58 30.72 3a17 s HIS 320 CO -0.07 -0.63 -0.05 -1.83 -2.00 0.00 0.00 174.74 170.16 3a17 s GLU 321 N -4.09 0.54 0.02 -0.38 -1.05 0.65 -1.71 118.70 112.68 3a17 s GLU 321 Ca 0.30 -0.15 0.03 0.00 -0.15 0.00 0.00 54.97 55.00 3a17 s GLU 321 Cb 0.06 -0.55 -0.02 0.00 -0.44 0.00 0.00 34.13 33.19 3a17 s GLU 321 CO 0.07 0.05 -0.10 0.08 0.95 0.00 0.00 175.26 176.30 3a17 s VAL 322 N 0.25 0.81 0.04 1.83 1.01 -0.19 -0.52 120.40 123.63 3a17 s VAL 322 Ca -0.03 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 3a17 s VAL 322 Cb -0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3a17 s VAL 322 CO -0.00 -0.01 0.06 -0.44 0.00 0.00 0.00 175.10 174.70 3a17 s SER 323 N -0.88 0.26 0.07 3.32 0.01 -0.16 -1.25 113.70 115.08 3a17 s SER 323 Ca -0.00 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.62 3a17 s SER 323 Cb -0.06 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 3a17 s SER 323 CO 0.00 -0.53 -0.09 0.68 0.41 0.00 0.00 173.24 173.71 3a17 s VAL 324 N -2.97 0.77 -0.02 3.43 -7.23 -0.60 -0.57 120.40 113.22 3a17 s VAL 324 Ca -0.02 -1.44 -0.06 0.00 -1.81 0.00 0.00 61.98 58.65 3a17 s VAL 324 Cb 0.01 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.85 3a17 s VAL 324 CO -0.06 -0.50 0.14 -0.36 -0.31 0.00 0.00 175.10 174.00 3a17 s PHE 325 N -2.10 -0.01 0.71 2.82 0.40 -1.15 -4.54 117.98 114.11 3a17 s PHE 325 Ca -0.00 0.02 -0.16 0.00 -0.60 0.00 0.00 56.93 56.19 3a17 s PHE 325 Cb -0.05 -0.02 0.03 0.00 0.51 0.00 0.00 43.02 43.49 3a17 s PHE 325 CO -0.00 -0.22 1.25 -0.51 0.70 0.00 0.00 175.22 176.43 3a17 s ASP 326 N -0.93 4.20 0.26 1.36 1.11 -1.26 -0.24 116.67 121.16 3a17 s ASP 326 Ca -0.10 2.48 -0.02 0.00 0.18 0.00 0.00 52.55 55.09 3a17 s ASP 326 Cb -0.06 -2.60 0.54 0.00 1.07 0.00 0.00 42.92 41.87 3a17 s ASP 326 CO 0.01 -2.26 1.70 0.00 1.18 0.00 0.00 175.17 175.79 3a17 h ALA 327 N -0.09 1.11 0.00 5.23 0.00 -1.86 -1.62 119.26 122.03 3a17 h ALA 327 Ca -0.49 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a17 h ALA 327 Cb 1.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3a17 h ALA 327 CO 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3a17 h ALA 328 N 1.63 1.00 -0.62 0.00 0.00 -1.91 -3.03 119.26 116.34 3a17 h ALA 328 Ca 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 3a17 h ALA 328 Cb 0.80 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3a17 h ALA 328 CO -0.50 0.00 0.16 -0.25 0.00 0.00 0.00 179.25 178.65 3a17 n ASP 329 N -2.42 4.85 -4.03 0.00 8.00 -0.61 -4.88 116.55 117.46 3a17 n ASP 329 Ca 0.02 -3.00 -0.21 0.00 0.71 0.00 0.00 54.79 52.31 3a17 n ASP 329 Cb 0.25 -0.70 -0.15 0.00 -0.02 0.00 0.00 41.12 40.49 3a17 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a17 s GLN 330 N -2.68 1.04 -0.04 -1.24 -0.21 -1.14 -1.38 119.66 114.01 3a17 s GLN 330 Ca 0.49 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.50 3a17 s GLN 330 Cb 0.39 -0.97 0.03 0.00 1.00 0.00 0.00 33.01 33.46 3a17 s GLN 330 CO 0.13 0.16 0.03 -1.17 -2.12 0.00 0.00 175.29 172.32 3a17 s LEU 331 N 0.06 0.58 -0.28 2.90 0.20 0.22 -4.65 118.68 117.71 3a17 s LEU 331 Ca -0.01 0.02 -0.00 0.00 0.69 0.00 0.00 54.13 54.83 3a17 s LEU 331 Cb -0.08 -0.20 0.08 0.00 -0.43 0.00 0.00 46.19 45.57 3a17 s LEU 331 CO 0.00 -0.19 0.04 -0.31 -0.29 0.00 0.00 176.35 175.61 3a17 s TYR 332 N 1.72 2.04 -0.09 5.38 2.02 -1.23 -0.53 117.35 126.65 3a17 s TYR 332 Ca -0.00 -1.76 0.03 0.00 -0.37 0.00 0.00 57.07 54.96 3a17 s TYR 332 Cb -0.13 -1.72 -0.02 0.00 -0.40 0.00 0.00 41.96 39.70 3a17 s TYR 332 CO -0.03 -0.82 -0.17 -1.21 -1.57 0.00 0.00 175.55 171.76 3a17 s GLU 333 N 1.51 2.91 -0.07 -0.62 2.02 -0.21 -1.35 118.70 122.90 3a17 s GLU 333 Ca 0.04 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.30 3a17 s GLU 333 Cb -0.18 -2.43 0.02 0.00 0.10 0.00 0.00 34.13 31.64 3a17 s GLU 333 CO -0.15 0.37 -0.10 0.71 0.02 0.00 0.00 175.26 176.11 3a17 s TYR 334 N -0.10 1.36 -0.22 1.61 2.02 -0.15 -0.43 117.35 121.44 3a17 s TYR 334 Ca -0.03 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3a17 s TYR 334 Cb -0.14 -1.04 0.03 0.00 -0.40 0.00 0.00 41.96 40.41 3a17 s TYR 334 CO 0.04 -0.31 -0.13 0.42 -1.57 0.00 0.00 175.55 174.00 3a17 s ILE 335 N 0.88 2.34 -1.38 2.71 1.01 0.23 -0.30 121.20 126.69 3a17 s ILE 335 Ca -0.11 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.34 3a17 s ILE 335 Cb -0.15 -2.16 0.02 0.00 0.01 0.00 0.00 42.46 40.18 3a17 s ILE 335 CO 0.01 0.28 0.36 0.59 0.00 0.00 0.00 174.94 176.17 3a17 n ASN 336 N 4.58 -4.82 -4.91 3.58 3.02 -0.33 -0.38 115.26 116.01 3a17 n ASN 336 Ca -0.18 -0.17 -0.28 0.00 -0.03 0.00 0.00 54.58 53.92 3a17 n ASN 336 Cb 0.47 -3.97 -0.03 0.00 -0.61 0.00 0.00 39.78 35.64 3a17 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a17 s HIS 338 N -2.15 2.85 0.66 0.00 -3.43 -1.26 -4.82 115.29 107.14 3a17 s HIS 338 Ca 0.44 1.54 0.19 0.00 -0.80 0.00 0.00 55.06 56.43 3a17 s HIS 338 Cb -0.11 -3.37 0.99 0.00 -1.43 0.00 0.00 32.58 28.67 3a17 s HIS 338 CO 0.31 -1.52 1.55 -1.35 -2.00 0.00 0.00 174.74 171.74 3a17 h PRO 339 N 1.93 0.00 -0.19 -0.38 0.11 -1.98 0.48 132.00 131.98 3a17 h PRO 339 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a17 h PRO 339 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3a17 h PRO 339 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.80 3a17 n GLY 340 N -1.36 0.50 3.64 -0.55 0.00 -1.26 -2.94 105.19 103.22 3a17 n GLY 340 Ca 0.00 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 3a17 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a17 s THR 341 N -1.76 4.14 0.00 2.61 2.01 0.16 -4.38 115.64 118.42 3a17 s THR 341 Ca 0.33 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.66 3a17 s THR 341 Cb 0.18 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3a17 s THR 341 CO 0.27 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 3a17 n GLY 342 N 4.06 2.80 0.00 4.40 0.00 -1.26 -1.38 105.19 113.81 3a17 n GLY 342 Ca 0.15 0.31 0.12 0.00 0.00 0.00 0.00 46.02 46.60 3a17 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a17 n MET 343 N 10.50 0.34 -0.05 1.61 2.81 -1.26 -3.43 117.12 127.64 3a17 n MET 343 Ca 0.00 0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 55.79 3a17 n MET 343 Cb 0.00 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 3a17 n MET 343 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a17 h LEU 344 N 0.00 0.93 -0.35 4.03 3.38 -1.48 -2.95 115.31 118.86 3a17 h LEU 344 Ca 0.00 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.50 3a17 h LEU 344 Cb 0.24 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 3a17 h LEU 344 CO 0.00 1.33 -0.02 -0.09 0.09 0.00 0.00 178.44 179.74 3a17 h ARG 345 N 0.60 0.07 0.00 1.13 2.43 -1.55 -3.03 114.38 114.03 3a17 h ARG 345 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3a17 h ARG 345 Cb 1.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3a17 h ARG 345 CO 0.13 0.04 -1.26 -0.25 -1.51 0.00 0.00 179.97 177.13 3a17 n ASP 346 N -5.21 0.74 -4.65 -3.80 8.00 -1.26 -4.96 116.55 105.42 3a17 n ASP 346 Ca 0.01 -0.74 -0.49 0.00 0.71 0.00 0.00 54.79 54.29 3a17 n ASP 346 Cb 0.19 1.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.49 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 n ALA 347 N -1.70 0.53 -2.33 2.24 0.00 -1.11 -4.90 120.51 113.25 3a17 n ALA 347 Ca 0.02 0.45 -0.41 0.00 0.00 0.00 0.00 53.44 53.50 3a17 n ALA 347 Cb 0.39 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 3a17 n ALA 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a17 s VAL 348 N 1.21 4.57 0.85 0.00 -7.23 -0.49 -4.80 120.40 114.50 3a17 s VAL 348 Ca 0.83 2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 62.89 3a17 s VAL 348 Cb -0.78 -4.29 0.10 0.00 0.56 0.00 0.00 36.38 31.96 3a17 s VAL 348 CO 0.43 0.31 1.09 0.42 -0.31 0.00 0.00 175.10 177.04 3a17 s THR 349 N 0.09 2.92 0.33 5.32 -4.23 -1.26 -1.56 115.64 117.25 3a17 s THR 349 Ca 0.46 0.30 0.19 0.00 -1.18 0.00 0.00 61.69 61.46 3a17 s THR 349 Cb -0.23 -2.81 0.32 0.00 1.34 0.00 0.00 72.50 71.13 3a17 s THR 349 CO 0.29 -0.39 1.41 0.00 -0.54 0.00 0.00 174.62 175.39 3a17 n ILE 350 N -3.73 -0.37 -3.66 2.99 0.13 -1.26 -3.61 119.36 109.85 3a17 n ILE 350 Ca 0.08 1.80 -0.27 0.00 -1.10 0.00 0.00 62.75 63.26 3a17 n ILE 350 Cb 0.55 -2.93 -0.17 0.00 -0.84 0.00 0.00 39.64 36.25 3a17 n ILE 350 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3a17 s ALA 351 N -5.34 0.66 0.00 1.51 0.00 -1.26 -4.98 121.76 112.35 3a17 s ALA 351 Ca -0.08 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3a17 s ALA 351 Cb 0.30 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.34 3a17 s ALA 351 CO 0.70 -1.15 0.21 -1.91 0.00 0.00 0.00 175.76 173.60