#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 3.52 0.12 0.03 2.02 -1.25 -4.87 118.70 118.28 3a17 s GLU 2 Ca 0.00 1.95 -0.08 0.00 0.02 0.00 0.00 54.97 56.86 3a17 s GLU 2 Cb 0.00 -2.34 -0.06 0.00 0.10 0.00 0.00 34.13 31.83 3a17 s GLU 2 CO 0.00 -0.80 0.41 0.45 0.02 0.00 0.00 175.26 175.34 3a17 s SER 3 N -1.21 6.58 0.40 -0.19 0.15 -1.26 -1.83 113.70 116.32 3a17 s SER 3 Ca 0.67 0.72 0.12 0.00 0.70 0.00 0.00 55.95 58.16 3a17 s SER 3 Cb -0.33 -2.15 0.81 0.00 -1.71 0.00 0.00 66.02 62.65 3a17 s SER 3 CO 0.39 0.09 1.90 0.00 1.20 0.00 0.00 173.24 176.83 3a17 h ALA 4 N 3.21 1.51 -2.16 5.45 0.00 -1.94 -3.42 119.26 121.92 3a17 h ALA 4 Ca -0.48 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.62 3a17 h ALA 4 Cb 1.18 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3a17 h ALA 4 CO 0.69 0.36 0.69 0.42 0.00 0.00 0.00 179.25 181.41 3a17 s ILE 5 N -4.51 4.73 0.44 0.00 1.01 -1.26 -4.97 121.20 116.65 3a17 s ILE 5 Ca -0.04 1.99 -0.25 0.00 0.00 0.00 0.00 60.65 62.34 3a17 s ILE 5 Cb 0.15 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 3a17 s ILE 5 CO 0.72 -0.11 1.33 0.61 0.00 0.00 0.00 174.94 177.49 3a17 n GLY 6 N 3.29 0.71 0.33 6.18 0.00 -1.26 -4.76 105.19 109.68 3a17 n GLY 6 Ca 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 2.09 -0.06 0.00 1.61 5.08 -1.93 0.21 114.58 121.59 3a17 h GLU 7 Ca -0.49 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 0.62 0.83 4.33 1.44 -1.26 -2.09 115.22 113.61 3a17 n HIS 8 Ca 0.09 0.28 0.09 0.00 -2.01 0.00 0.00 57.72 56.17 3a17 n HIS 8 Cb 0.39 -0.95 -0.04 0.00 0.12 0.00 0.00 29.99 29.50 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 -2.10 1.40 -4.77 2.39 4.77 0.71 -4.95 117.00 114.45 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 41.18 3a17 n LEU 9 CO 0.13 0.29 0.85 -1.10 -1.33 0.00 0.00 177.39 176.22 3a17 s GLN 10 N -2.36 4.23 0.31 3.23 -0.21 -0.89 -4.93 119.66 119.04 3a17 s GLN 10 Ca 0.12 1.87 -0.18 0.00 0.02 0.00 0.00 55.36 57.19 3a17 s GLN 10 Cb 0.14 -2.83 0.03 0.00 1.00 0.00 0.00 33.01 31.35 3a17 s GLN 10 CO 0.58 -0.18 0.71 0.00 -2.12 0.00 0.00 175.29 174.27 3a17 s PRO 12 N -3.43 3.78 0.26 0.00 0.02 -1.26 -4.95 135.00 129.43 3a17 s PRO 12 Ca 0.14 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 3a17 s PRO 12 Cb -0.05 -4.22 -0.10 0.00 0.02 0.00 0.00 34.50 30.16 3a17 s PRO 12 CO 0.09 -1.36 1.34 1.03 -0.33 0.00 0.00 177.00 177.77 3a17 s ARG 13 N 5.08 4.36 -0.00 5.54 0.52 -1.26 -4.84 118.95 128.35 3a17 s ARG 13 Ca 0.91 2.16 0.12 0.00 -0.52 0.00 0.00 55.73 58.40 3a17 s ARG 13 Cb -0.38 -3.13 -0.13 0.00 0.52 0.00 0.00 34.95 31.83 3a17 s ARG 13 CO 0.38 -0.26 0.49 0.25 0.02 0.00 0.00 175.30 176.19 3a17 n THR 14 N 1.91 0.00 -4.97 0.02 -2.24 0.43 -4.96 114.28 104.47 3a17 n THR 14 Ca 0.04 -0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.32 3a17 n THR 14 Cb 0.42 0.98 -0.16 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.60 1.96 0.31 3.22 1.43 -0.32 -4.98 118.68 117.71 3a17 s LEU 15 Ca 0.04 -0.40 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 3a17 s LEU 15 Cb 0.09 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3a17 s LEU 15 CO 0.48 0.18 0.43 0.42 0.23 0.00 0.00 176.35 178.10 3a17 s THR 16 N -0.02 4.27 0.98 5.49 -4.23 -1.26 -4.69 115.64 116.19 3a17 s THR 16 Ca -0.04 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.31 3a17 s THR 16 Cb -0.12 -3.48 0.18 0.00 1.34 0.00 0.00 72.50 70.41 3a17 s THR 16 CO 0.03 -0.19 1.14 -0.13 -0.54 0.00 0.00 174.62 174.93 3a17 s ARG 17 N -4.12 0.56 0.00 3.99 0.52 -1.26 -4.99 118.95 113.65 3a17 s ARG 17 Ca 0.42 0.20 0.22 0.00 -0.52 0.00 0.00 55.73 56.05 3a17 s ARG 17 Cb -0.09 -1.78 0.21 0.00 0.52 0.00 0.00 34.95 33.81 3a17 s ARG 17 CO 0.30 -2.57 1.22 2.89 0.02 0.00 0.00 175.30 177.16 3a17 n ARG 18 N -4.01 2.11 -4.24 3.54 1.85 -1.26 -4.90 116.66 109.76 3a17 n ARG 18 Ca 0.08 -1.88 -0.20 0.00 -1.00 0.00 0.00 57.85 54.85 3a17 n ARG 18 Cb 0.59 -1.43 -0.12 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 -1.76 1.23 0.80 8.89 -7.23 -1.26 -5.15 120.40 115.92 3a17 s VAL 19 Ca 0.27 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 59.06 3a17 s VAL 19 Cb 0.19 -1.15 0.07 0.00 0.56 0.00 0.00 36.38 36.05 3a17 s VAL 19 CO 0.28 -0.14 1.09 -2.16 -0.31 0.00 0.00 175.10 173.86 3a17 s PRO 20 N -1.63 2.06 0.00 4.82 0.04 -1.26 -4.91 135.00 134.12 3a17 s PRO 20 Ca 0.00 1.07 0.10 0.00 0.04 0.00 0.00 61.00 62.21 3a17 s PRO 20 Cb -0.10 -1.88 0.42 0.00 0.04 0.00 0.00 34.50 32.98 3a17 s PRO 20 CO 0.02 -1.75 1.30 -0.25 0.04 0.00 0.00 177.00 176.37 3a17 n ASP 21 N -3.58 0.00 0.05 6.66 8.00 -1.26 -1.36 116.55 125.06 3a17 n ASP 21 Ca 0.08 0.48 0.13 0.00 0.71 0.00 0.00 54.79 56.20 3a17 n ASP 21 Cb 0.54 -0.49 0.51 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 -1.49 0.33 -1.56 -3.53 -2.24 -1.26 -4.93 114.28 99.60 3a17 n THR 22 Ca 0.02 -0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.22 3a17 n THR 22 Cb 0.11 -0.58 -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 -1.86 1.10 -4.29 4.78 9.36 -0.46 -5.01 117.16 120.78 3a17 n TYR 23 Ca 0.06 0.73 -0.31 0.00 3.32 0.00 0.00 57.90 61.70 3a17 n TYR 23 Cb 0.37 -2.23 -0.16 0.00 -0.63 0.00 0.00 39.34 36.68 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 -0.46 1.73 0.59 2.97 2.01 -1.26 -5.03 115.64 116.19 3a17 s THR 24 Ca 0.70 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3a17 s THR 24 Cb -0.84 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3a17 s THR 24 CO 0.55 0.49 1.32 -2.16 -0.69 0.00 0.00 174.62 174.12 3a17 s PRO 25 N 1.18 2.86 0.46 4.92 0.04 -1.26 -4.95 135.00 138.25 3a17 s PRO 25 Ca -0.01 2.13 0.28 0.00 0.04 0.00 0.00 61.00 63.45 3a17 s PRO 25 Cb -0.14 -2.05 0.86 0.00 0.04 0.00 0.00 34.50 33.21 3a17 s PRO 25 CO -0.07 -1.38 1.79 -1.00 0.04 0.00 0.00 177.00 176.38 3a17 h PRO 26 N 1.01 0.00 -3.43 0.56 0.13 -1.90 -3.46 132.00 124.90 3a17 h PRO 26 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 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 0.55 0.00 -0.05 -0.59 -0.23 0.00 0.00 178.00 177.68 3a17 s PHE 27 N -3.40 -0.02 0.25 1.56 -0.12 -1.26 -5.12 117.98 109.86 3a17 s PHE 27 Ca 0.05 -0.32 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 3a17 s PHE 27 Cb 0.08 0.29 -0.09 0.00 -0.63 0.00 0.00 43.02 42.66 3a17 s PHE 27 CO 0.59 -0.85 1.12 -1.25 -0.05 0.00 0.00 175.22 174.77 3a17 s PRO 28 N -3.88 4.61 0.05 1.99 0.04 -1.26 -5.02 135.00 131.52 3a17 s PRO 28 Ca 0.10 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 3a17 s PRO 28 Cb 0.00 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 3a17 s PRO 28 CO -0.03 0.14 -0.03 -1.64 0.04 0.00 0.00 177.00 175.48 3a17 s MET 29 N -1.10 0.60 0.10 4.56 -1.94 -1.26 -4.91 119.30 115.35 3a17 s MET 29 Ca 0.46 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.31 3a17 s MET 29 Cb -0.32 0.19 -0.03 0.00 2.01 0.00 0.00 34.83 36.67 3a17 s MET 29 CO 0.40 -0.10 -0.15 -1.58 -0.01 0.00 0.00 175.02 173.57 3a17 s TRP 30 N -3.77 1.39 0.27 -0.03 0.51 0.43 -2.05 118.94 115.70 3a17 s TRP 30 Ca 0.06 -0.50 0.12 0.00 -2.12 0.00 0.00 56.10 53.65 3a17 s TRP 30 Cb 0.07 -0.75 -0.05 0.00 -0.81 0.00 0.00 33.47 31.93 3a17 s TRP 30 CO -0.09 0.12 -0.20 0.14 -0.51 0.00 0.00 176.95 176.41 3a17 s VAL 31 N -1.70 2.44 0.25 4.03 -7.23 -1.26 0.37 120.40 117.29 3a17 s VAL 31 Ca 0.05 -2.39 -0.30 0.00 -1.81 0.00 0.00 61.98 57.53 3a17 s VAL 31 Cb -0.07 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 3a17 s VAL 31 CO 0.03 -0.41 1.10 -0.83 -0.31 0.00 0.00 175.10 174.69 3a17 s GLY 32 N -3.49 2.99 0.04 2.32 0.00 -1.26 -1.53 107.32 106.39 3a17 s GLY 32 Ca 0.29 0.87 0.04 0.00 0.00 0.00 0.00 44.72 45.93 3a17 s GLY 32 CO 0.14 1.56 -0.07 0.50 0.00 0.00 0.00 173.10 175.24 3a17 s ARG 33 N -1.09 2.45 -0.22 2.90 1.81 0.95 -4.86 118.95 120.89 3a17 s ARG 33 Ca 0.46 -0.81 -0.26 0.00 -1.72 0.00 0.00 55.73 53.40 3a17 s ARG 33 Cb -0.31 -2.46 0.07 0.00 -0.45 0.00 0.00 34.95 31.80 3a17 s ARG 33 CO 0.39 0.57 0.71 0.00 -0.68 0.00 0.00 175.30 176.29 3a17 s ALA 34 N -1.10 -1.77 0.95 2.13 0.00 -1.26 -0.41 121.76 120.30 3a17 s ALA 34 Ca 0.19 1.87 -0.10 0.00 0.00 0.00 0.00 51.96 53.93 3a17 s ALA 34 Cb -0.11 -0.93 0.15 0.00 0.00 0.00 0.00 23.12 22.22 3a17 s ALA 34 CO 0.11 -0.34 0.88 -0.40 0.00 0.00 0.00 175.76 176.01 3a17 n ASP 35 N 2.33 0.19 0.00 0.00 5.75 -1.26 -4.90 116.55 118.67 3a17 n ASP 35 Ca -0.15 -1.40 0.03 0.00 -0.01 0.00 0.00 54.79 53.26 3a17 n ASP 35 Cb 0.55 -0.66 0.13 0.00 -1.03 0.00 0.00 41.12 40.11 3a17 n ASP 35 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3a17 n ASP 36 N -3.50 0.00 -0.01 -1.12 5.75 -1.26 -1.46 116.55 114.96 3a17 n ASP 36 Ca 0.11 0.39 -0.00 0.00 -0.01 0.00 0.00 54.79 55.28 3a17 n ASP 36 Cb 0.40 -0.42 0.29 0.00 -1.03 0.00 0.00 41.12 40.36 3a17 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a17 h ALA 37 N 2.22 1.36 -1.47 2.12 0.00 -2.01 -3.37 119.26 118.11 3a17 h ALA 37 Ca 0.00 -0.20 -0.60 0.00 0.00 0.00 0.00 54.91 54.11 3a17 h ALA 37 Cb 0.08 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 3a17 h ALA 37 CO 0.00 0.44 0.96 -1.17 0.00 0.00 0.00 179.25 179.48 3a17 s LEU 38 N -9.08 3.85 -0.24 0.00 2.96 -0.53 -4.84 118.68 110.80 3a17 s LEU 38 Ca -0.08 -1.02 -0.08 0.00 -0.22 0.00 0.00 54.13 52.73 3a17 s LEU 38 Cb 0.15 -2.50 -0.17 0.00 0.50 0.00 0.00 46.19 44.18 3a17 s LEU 38 CO 0.77 -1.55 -0.12 0.00 -1.32 0.00 0.00 176.35 174.12 3a17 n GLN 39 N 8.41 0.63 -3.69 1.98 6.02 -1.26 -4.63 117.38 124.84 3a17 n GLN 39 Ca 0.09 0.27 -0.10 0.00 -0.01 0.00 0.00 57.00 57.25 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 -2.50 0.39 0.39 -1.09 0.74 -1.26 0.13 119.66 116.45 3a17 s GLN 40 Ca -0.34 0.84 0.03 0.00 0.05 0.00 0.00 55.36 55.95 3a17 s GLN 40 Cb 0.10 0.04 -0.01 0.00 1.10 0.00 0.00 33.01 34.24 3a17 s GLN 40 CO 0.59 -0.17 0.56 0.14 -0.55 0.00 0.00 175.29 175.86 3a17 s VAL 41 N 1.62 4.13 -0.16 1.34 -7.23 -0.79 -3.49 120.40 115.82 3a17 s VAL 41 Ca -0.08 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 3a17 s VAL 41 Cb -0.09 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.39 3a17 s VAL 41 CO -0.13 -0.26 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.51 3a17 s VAL 42 N -2.35 1.99 -0.37 1.32 1.01 -0.91 -3.34 120.40 117.75 3a17 s VAL 42 Ca 0.46 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 3a17 s VAL 42 Cb -0.10 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.52 3a17 s VAL 42 CO 0.34 0.53 0.19 -0.04 0.00 0.00 0.00 175.10 176.12 3a17 s MET 43 N 1.11 2.79 -0.30 2.72 -1.94 0.94 -1.31 119.30 123.31 3a17 s MET 43 Ca -0.00 -1.10 -0.02 0.00 -1.71 0.00 0.00 55.69 52.86 3a17 s MET 43 Cb -0.14 -3.68 0.05 0.00 2.01 0.00 0.00 34.83 33.07 3a17 s MET 43 CO -0.08 -0.69 0.01 0.20 -0.01 0.00 0.00 175.02 174.45 3a17 s GLY 44 N 1.52 1.76 -0.32 -0.03 0.00 -0.14 -1.06 107.32 109.05 3a17 s GLY 44 Ca 0.01 -1.73 -0.12 0.00 0.00 0.00 0.00 44.72 42.88 3a17 s GLY 44 CO 0.06 0.69 0.22 -0.19 0.00 0.00 0.00 173.10 173.88 3a17 s TYR 45 N 1.28 3.22 -0.20 1.90 1.51 -0.39 -0.72 117.35 123.94 3a17 s TYR 45 Ca -0.04 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.81 3a17 s TYR 45 Cb -0.19 -2.44 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 3a17 s TYR 45 CO -0.01 -0.34 -0.13 -0.51 -1.11 0.00 0.00 175.55 173.45 3a17 s LEU 46 N 1.72 2.53 0.09 -1.29 1.02 0.13 -0.10 118.68 122.78 3a17 s LEU 46 Ca 0.06 -0.62 0.08 0.00 0.02 0.00 0.00 54.13 53.67 3a17 s LEU 46 Cb -0.17 -1.58 -0.04 0.00 0.02 0.00 0.00 46.19 44.42 3a17 s LEU 46 CO 0.10 -0.03 -0.17 -0.83 0.02 0.00 0.00 176.35 175.45 3a17 s GLY 47 N 1.34 1.68 -0.12 -3.19 0.00 0.44 -0.18 107.32 107.30 3a17 s GLY 47 Ca 0.04 -1.29 0.03 0.00 0.00 0.00 0.00 44.72 43.50 3a17 s GLY 47 CO -0.09 -1.25 -0.22 0.14 0.00 0.00 0.00 173.10 171.69 3a17 s VAL 48 N -1.10 1.95 -0.05 1.40 1.01 0.48 -2.03 120.40 122.07 3a17 s VAL 48 Ca 0.18 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3a17 s VAL 48 Cb -0.11 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3a17 s VAL 48 CO 0.09 0.53 -0.21 -1.58 0.00 0.00 0.00 175.10 173.93 3a17 s GLN 49 N 0.64 2.43 0.01 2.72 0.74 0.14 -0.53 119.66 125.82 3a17 s GLN 49 Ca -0.12 -0.83 -0.17 0.00 0.05 0.00 0.00 55.36 54.28 3a17 s GLN 49 Cb -0.16 -2.22 0.03 0.00 1.10 0.00 0.00 33.01 31.76 3a17 s GLN 49 CO 0.03 0.51 0.38 -0.59 -0.55 0.00 0.00 175.29 175.06 3a17 s PHE 50 N -0.47 -0.24 -0.26 1.67 -0.71 -0.18 -0.62 117.98 117.18 3a17 s PHE 50 Ca 0.06 0.29 -0.02 0.00 -1.04 0.00 0.00 56.93 56.21 3a17 s PHE 50 Cb -0.12 0.16 -0.16 0.00 -1.21 0.00 0.00 43.02 41.70 3a17 s PHE 50 CO 0.01 -0.49 -0.22 -2.13 -1.34 0.00 0.00 175.22 171.05 3a17 n ARG 51 N 0.88 0.64 -3.94 1.99 0.63 -1.26 0.02 116.66 115.61 3a17 n ARG 51 Ca -0.20 0.19 -0.26 0.00 -0.92 0.00 0.00 57.85 56.66 3a17 n ARG 51 Cb 0.58 -1.53 -0.03 0.00 0.45 0.00 0.00 32.46 31.93 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 -6.77 6.34 0.36 6.15 1.01 -1.26 -4.75 116.67 117.75 3a17 s ASP 52 Ca -0.35 0.17 0.05 0.00 0.71 0.00 0.00 52.55 53.13 3a17 s ASP 52 Cb 0.10 -1.91 0.72 0.00 1.01 0.00 0.00 42.92 42.84 3a17 s ASP 52 CO 0.58 0.04 1.97 -0.33 0.21 0.00 0.00 175.17 177.65 3a17 h GLU 53 N 2.08 0.76 0.00 8.23 4.39 -2.02 -2.32 114.58 125.70 3a17 h GLU 53 Ca -0.49 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3a17 h GLU 53 Cb 1.20 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3a17 h GLU 53 CO 0.68 0.50 0.00 -0.40 -1.16 0.00 0.00 179.01 178.63 3a17 n ASP 54 N -4.47 0.00 0.01 1.42 5.68 -1.26 -2.73 116.55 115.20 3a17 n ASP 54 Ca 0.10 -0.74 0.12 0.00 -0.50 0.00 0.00 54.79 53.76 3a17 n ASP 54 Cb 0.19 -0.06 0.14 0.00 -1.14 0.00 0.00 41.12 40.25 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 -1.06 0.07 0.06 0.11 6.02 -0.87 -4.52 117.38 117.19 3a17 n GLN 55 Ca 0.20 0.01 -0.12 0.00 -0.01 0.00 0.00 57.00 57.08 3a17 n GLN 55 Cb 0.13 -1.53 -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 -0.18 -0.60 -1.09 2.43 -1.62 -1.01 114.38 112.31 3a17 h ARG 56 Ca 0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 3a17 h ARG 56 Cb 0.56 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.06 3a17 h ARG 56 CO 0.00 -0.12 0.11 -1.35 -1.51 0.00 0.00 179.97 177.09 3a17 h PRO 57 N -0.19 0.22 -0.50 0.20 0.11 -1.82 0.18 132.00 130.20 3a17 h PRO 57 Ca 0.03 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.06 3a17 h PRO 57 Cb 0.22 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3a17 h PRO 57 CO -0.08 0.15 0.03 0.00 -0.21 0.00 0.00 178.00 177.89 3a17 h ALA 58 N 1.49 1.11 -0.17 -0.75 0.00 -1.80 -2.33 119.26 116.81 3a17 h ALA 58 Ca 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a17 h ALA 58 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a17 h ALA 58 CO -0.42 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 3a17 h ALA 59 N 1.26 0.23 -0.76 0.00 0.00 -0.05 -1.91 119.26 118.04 3a17 h ALA 59 Ca 0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3a17 h ALA 59 Cb 0.42 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3a17 h ALA 59 CO 0.02 -0.00 0.33 -0.07 0.00 0.00 0.00 179.25 179.52 3a17 h LEU 60 N 0.04 1.01 -0.55 0.00 3.38 -0.65 -1.33 115.31 117.20 3a17 h LEU 60 Ca 0.04 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3a17 h LEU 60 Cb 0.48 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3a17 h LEU 60 CO 0.02 0.88 -0.07 -0.61 0.09 0.00 0.00 178.44 178.74 3a17 h GLN 61 N 1.09 1.02 -0.62 1.13 5.75 -1.40 -0.58 115.11 121.50 3a17 h GLN 61 Ca 0.26 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.40 3a17 h GLN 61 Cb 0.17 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 3a17 h GLN 61 CO -0.03 1.05 0.41 0.00 -2.65 0.00 0.00 178.83 177.62 3a17 h ALA 62 N 0.94 0.79 -0.81 3.38 0.00 -1.06 -0.59 119.26 121.90 3a17 h ALA 62 Ca 0.15 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3a17 h ALA 62 Cb 0.64 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3a17 h ALA 62 CO 0.04 0.22 0.52 1.98 0.00 0.00 0.00 179.25 182.01 3a17 h MET 63 N 0.84 0.99 0.00 0.00 1.85 -0.94 -1.93 114.93 115.73 3a17 h MET 63 Ca 0.23 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 59.20 3a17 h MET 63 Cb -0.09 -0.22 -0.01 0.00 0.43 0.00 0.00 31.60 31.71 3a17 h MET 63 CO -0.05 0.65 -0.31 0.00 -0.40 0.00 0.00 176.91 176.80 3a17 h ARG 64 N 1.02 0.00 -0.20 0.39 3.08 -0.50 -1.73 114.38 116.43 3a17 h ARG 64 Ca 0.32 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.30 3a17 h ARG 64 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3a17 h ARG 64 CO -0.11 0.31 -0.16 -0.44 -1.07 0.00 0.00 179.97 178.50 3a17 h ASP 65 N 0.00 0.49 -0.45 7.04 3.32 -0.63 -1.88 116.42 124.30 3a17 h ASP 65 Ca -0.00 -0.45 0.04 0.00 0.02 0.00 0.00 57.03 56.64 3a17 h ASP 65 Cb 0.56 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 3a17 h ASP 65 CO 0.04 0.84 0.21 0.40 -1.72 0.00 0.00 179.24 179.01 3a17 h ILE 66 N 0.15 0.94 -0.34 0.35 2.04 -1.17 -0.92 117.51 118.56 3a17 h ILE 66 Ca 0.04 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3a17 h ILE 66 Cb 0.68 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3a17 h ILE 66 CO 0.04 0.08 -0.13 0.58 0.00 0.00 0.00 178.15 178.72 3a17 h VAL 67 N 0.42 1.24 -0.68 1.67 2.07 -1.31 -2.65 116.25 117.02 3a17 h VAL 67 Ca 0.20 -1.10 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 3a17 h VAL 67 Cb 0.13 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3a17 h VAL 67 CO -0.16 0.36 0.14 0.00 0.02 0.00 0.00 177.57 177.93 3a17 h ALA 68 N 1.32 0.94 0.00 1.67 0.00 -0.92 -2.52 119.26 119.75 3a17 h ALA 68 Ca 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a17 h ALA 68 Cb 0.55 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3a17 h ALA 68 CO 0.03 0.67 0.04 0.78 0.00 0.00 0.00 179.25 180.77 3a17 h GLY 69 N 1.07 0.00 2.00 0.00 0.00 -0.81 -1.75 103.07 103.58 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 -0.19 0.74 0.00 0.00 0.00 176.54 177.10 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 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3a17 h PHE 70 CO 0.00 0.19 0.00 -0.25 -0.60 0.00 0.00 178.31 177.65 3a17 n ASP 71 N -3.22 0.71 -4.72 2.17 8.00 -0.66 -4.14 116.55 114.69 3a17 n ASP 71 Ca 0.02 0.60 -0.32 0.00 0.71 0.00 0.00 54.79 55.80 3a17 n ASP 71 Cb 0.50 -0.78 0.12 0.00 -0.02 0.00 0.00 41.12 40.94 3a17 n ASP 71 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a17 s LEU 72 N -4.40 3.05 0.47 0.64 1.43 -1.19 -4.93 118.68 113.76 3a17 s LEU 72 Ca 0.09 2.11 -0.22 0.00 -1.03 0.00 0.00 54.13 55.08 3a17 s LEU 72 Cb 0.12 -4.56 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3a17 s LEU 72 CO 0.52 -2.49 0.84 -2.65 0.23 0.00 0.00 176.35 172.79 3a17 n PRO 73 N -3.54 0.99 -1.29 1.29 -0.02 -1.26 -2.28 135.00 128.89 3a17 n PRO 73 Ca 0.11 0.36 -0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3a17 n PRO 73 Cb 0.52 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 0.43 -4.74 -4.60 2.55 8.00 -1.26 -4.75 116.55 112.18 3a17 n ASP 74 Ca 0.11 0.25 -0.29 0.00 0.71 0.00 0.00 54.79 55.57 3a17 n ASP 74 Cb 0.42 -3.11 0.20 0.00 -0.02 0.00 0.00 41.12 38.61 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 -2.62 1.58 0.38 0.44 0.00 -0.97 -4.51 107.32 101.63 3a17 s GLY 75 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 44.72 44.37 3a17 s GLY 75 CO 0.00 0.53 1.26 2.56 0.00 0.00 0.00 173.10 177.45 3a17 s PRO 76 N -4.69 4.11 0.48 2.90 0.04 -1.26 -4.93 135.00 131.66 3a17 s PRO 76 Ca 0.67 2.08 0.15 0.00 0.04 0.00 0.00 61.00 63.93 3a17 s PRO 76 Cb -0.22 -2.83 1.13 0.00 0.04 0.00 0.00 34.50 32.62 3a17 s PRO 76 CO 0.61 -0.35 2.08 0.00 0.04 0.00 0.00 177.00 179.38 3a17 h ALA 77 N 2.88 1.85 -2.56 8.56 0.00 -1.19 -3.45 119.26 125.35 3a17 h ALA 77 Ca -0.49 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 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 0.63 0.11 -0.27 -1.58 0.00 0.00 0.00 179.25 178.15 3a17 s HIS 78 N -4.92 -0.07 0.09 0.00 5.65 -1.19 -5.00 115.29 109.85 3a17 s HIS 78 Ca -0.05 -0.10 -0.22 0.00 0.25 0.00 0.00 55.06 54.94 3a17 s HIS 78 Cb 0.16 0.07 0.06 0.00 -1.18 0.00 0.00 32.58 31.70 3a17 s HIS 78 CO 0.69 -0.50 0.54 -3.38 -0.65 0.00 0.00 174.74 171.43 3a17 s HIS 79 N -2.68 -0.44 0.08 3.88 -0.00 -1.26 -0.96 115.29 113.91 3a17 s HIS 79 Ca -0.04 0.36 -0.10 0.00 -0.00 0.00 0.00 55.06 55.27 3a17 s HIS 79 Cb -0.00 0.40 0.01 0.00 -0.00 0.00 0.00 32.58 32.99 3a17 s HIS 79 CO -0.04 -0.72 0.23 0.16 -0.00 0.00 0.00 174.74 174.37 3a17 s ASP 80 N -2.34 0.03 -0.06 7.38 1.47 -0.78 -5.00 116.67 117.37 3a17 s ASP 80 Ca -0.02 -0.52 0.05 0.00 1.18 0.00 0.00 52.55 53.24 3a17 s ASP 80 Cb -0.00 0.36 -0.01 0.00 -0.34 0.00 0.00 42.92 42.92 3a17 s ASP 80 CO -0.07 -0.72 -0.22 -0.76 0.68 0.00 0.00 175.17 174.09 3a17 s LEU 81 N -2.68 2.24 0.23 2.11 1.43 -1.26 -1.23 118.68 119.51 3a17 s LEU 81 Ca 0.02 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 3a17 s LEU 81 Cb 0.03 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 3a17 s LEU 81 CO -0.10 0.25 0.05 0.42 0.23 0.00 0.00 176.35 177.20 3a17 s THR 82 N -0.19 0.69 -0.01 5.49 -4.23 0.34 -0.71 115.64 117.03 3a17 s THR 82 Ca -0.02 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3a17 s THR 82 Cb -0.14 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3a17 s THR 82 CO 0.03 -0.20 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.54 3a17 s HIS 83 N -3.66 0.81 0.05 3.99 5.04 0.32 -1.20 115.29 120.64 3a17 s HIS 83 Ca 0.32 -0.16 -0.20 0.00 -1.54 0.00 0.00 55.06 53.48 3a17 s HIS 83 Cb 0.07 -0.52 0.04 0.00 0.04 0.00 0.00 32.58 32.21 3a17 s HIS 83 CO 0.10 -0.01 0.47 -3.38 -2.34 0.00 0.00 174.74 169.57 3a17 s HIS 84 N -0.23 -0.34 -0.26 3.88 -3.43 -0.69 -1.53 115.29 112.68 3a17 s HIS 84 Ca 0.03 0.34 -0.10 0.00 -0.80 0.00 0.00 55.06 54.54 3a17 s HIS 84 Cb -0.04 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 3a17 s HIS 84 CO -0.00 -0.61 0.15 0.42 -2.00 0.00 0.00 174.74 172.69 3a17 s ILE 85 N -2.48 5.02 0.91 -5.38 1.01 -1.26 -0.04 121.20 118.98 3a17 s ILE 85 Ca -0.05 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 3a17 s ILE 85 Cb -0.01 -3.37 0.21 0.00 0.01 0.00 0.00 42.46 39.31 3a17 s ILE 85 CO -0.02 0.30 1.24 -0.90 0.00 0.00 0.00 174.94 175.56 3a17 n ASP 86 N 4.83 0.16 -0.04 3.58 5.68 -0.19 -4.92 116.55 125.65 3a17 n ASP 86 Ca -0.15 -1.49 0.12 0.00 -0.50 0.00 0.00 54.79 52.78 3a17 n ASP 86 Cb 0.52 -0.94 0.71 0.00 -1.14 0.00 0.00 41.12 40.26 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 -3.77 0.11 -0.97 -1.12 0.23 -1.26 -1.72 115.26 106.77 3a17 n ASN 87 Ca 0.16 -1.26 0.12 0.00 -0.53 0.00 0.00 54.58 53.07 3a17 n ASN 87 Cb 0.55 -0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.41 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 -0.80 2.31 -0.67 -3.83 1.13 -1.26 -4.97 117.38 109.29 3a17 n GLN 88 Ca 0.18 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 3a17 n GLN 88 Cb 0.10 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 1.38 0.79 3.76 1.08 0.00 -0.70 -5.05 105.19 106.45 3a17 n GLY 89 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.01 3.90 0.05 1.61 1.51 -1.26 -4.79 117.35 115.35 3a17 s TYR 90 Ca 0.00 1.70 -0.21 0.00 -1.01 0.00 0.00 57.07 57.55 3a17 s TYR 90 Cb 0.00 -2.86 -0.06 0.00 -0.11 0.00 0.00 41.96 38.93 3a17 s TYR 90 CO 0.00 0.44 0.61 -1.21 -1.11 0.00 0.00 175.55 174.28 3a17 s GLU 91 N -0.89 4.31 -0.15 -0.62 2.02 0.10 -1.02 118.70 122.45 3a17 s GLU 91 Ca 0.39 0.80 -0.01 0.00 0.02 0.00 0.00 54.97 56.17 3a17 s GLU 91 Cb -0.24 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.74 3a17 s GLU 91 CO 0.28 0.49 -0.04 -0.80 0.02 0.00 0.00 175.26 175.20 3a17 s ASN 92 N -0.64 2.59 -0.15 -0.19 0.01 0.95 -1.01 114.94 116.49 3a17 s ASN 92 Ca 0.31 -0.55 -0.15 0.00 -0.71 0.00 0.00 52.86 51.76 3a17 s ASN 92 Cb -0.19 -0.82 -0.04 0.00 0.41 0.00 0.00 41.25 40.60 3a17 s ASN 92 CO 0.19 -0.19 0.35 -0.76 -1.51 0.00 0.00 177.10 175.19 3a17 s LEU 93 N 1.70 4.24 -0.09 0.60 1.43 0.31 -1.70 118.68 125.18 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 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.61 3a17 s LEU 93 CO -0.08 0.05 -0.15 -0.63 0.23 0.00 0.00 176.35 175.78 3a17 s ILE 94 N 0.60 1.39 -0.25 -0.59 1.01 -0.34 -0.38 121.20 122.64 3a17 s ILE 94 Ca 0.19 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3a17 s ILE 94 Cb -0.14 -1.27 -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 0.83 5.08 -0.20 2.92 1.01 0.75 -0.51 120.40 130.29 3a17 s VAL 95 Ca -0.10 0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3a17 s VAL 95 Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3a17 s VAL 95 CO 0.01 0.33 0.05 0.54 0.00 0.00 0.00 175.10 176.04 3a17 s VAL 96 N 1.29 4.51 0.04 2.92 0.11 -0.37 0.20 120.40 129.10 3a17 s VAL 96 Ca 0.07 -0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.05 3a17 s VAL 96 Cb -0.14 -3.05 -0.03 0.00 -1.53 0.00 0.00 36.38 31.62 3a17 s VAL 96 CO 0.06 0.42 -0.15 -0.83 -3.33 0.00 0.00 175.10 171.26 3a17 s GLY 97 N 0.85 1.63 -0.14 6.54 0.00 0.10 -1.87 107.32 114.44 3a17 s GLY 97 Ca 0.03 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.61 3a17 s GLY 97 CO 0.02 -1.05 -0.19 -0.19 0.00 0.00 0.00 173.10 171.69 3a17 s TYR 98 N -0.96 2.71 0.14 1.90 2.02 -0.13 -0.96 117.35 122.07 3a17 s TYR 98 Ca 0.16 -1.13 0.06 0.00 -0.37 0.00 0.00 57.07 55.79 3a17 s TYR 98 Cb -0.11 -1.83 -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 0.00 175.55 171.97 3a17 s TRP 99 N 0.71 2.92 -0.50 2.71 0.51 -0.42 -0.54 118.94 124.33 3a17 s TRP 99 Ca -0.08 -0.09 0.24 0.00 -2.12 0.00 0.00 56.10 54.04 3a17 s TRP 99 Cb -0.16 -1.45 0.24 0.00 -0.81 0.00 0.00 33.47 31.30 3a17 s TRP 99 CO 0.01 0.50 1.26 0.87 -0.51 0.00 0.00 176.95 179.08 3a17 h LYS 100 N 2.93 0.00 -4.31 4.98 1.57 -1.88 -2.43 116.57 117.43 3a17 h LYS 100 Ca -0.47 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.08 3a17 h LYS 100 Cb 1.19 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.38 3a17 h LYS 100 CO 0.59 0.00 -0.40 0.16 -0.57 0.00 0.00 179.45 179.22 3a17 s ASP 101 N -4.72 0.42 0.02 0.86 1.47 -1.23 -4.42 116.67 109.07 3a17 s ASP 101 Ca 0.04 -1.34 -0.19 0.00 1.18 0.00 0.00 52.55 52.25 3a17 s ASP 101 Cb 0.12 0.50 -0.21 0.00 -0.34 0.00 0.00 42.92 42.99 3a17 s ASP 101 CO 0.74 -1.02 1.17 0.58 0.68 0.00 0.00 175.17 177.31 3a17 h VAL 102 N 2.38 1.39 -0.14 2.11 2.07 -1.89 -3.34 116.25 118.84 3a17 h VAL 102 Ca -0.31 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.17 3a17 h VAL 102 Cb 1.25 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 33.39 3a17 h VAL 102 CO 0.44 0.58 -0.34 0.77 0.02 0.00 0.00 177.57 179.03 3a17 h SER 103 N 0.01 0.29 -0.41 0.57 4.64 -1.98 -2.05 113.55 114.63 3a17 h SER 103 Ca -0.06 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3a17 h SER 103 Cb 1.23 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3a17 h SER 103 CO 0.11 0.62 0.15 0.77 -0.87 0.00 0.00 176.83 177.61 3a17 h SER 104 N 0.25 0.58 -0.26 4.97 4.64 -1.93 0.31 113.55 122.11 3a17 h SER 104 Ca 0.03 -0.19 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3a17 h SER 104 Cb 0.73 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 3a17 h SER 104 CO 0.06 0.61 -0.11 -0.61 -0.87 0.00 0.00 176.83 175.90 3a17 h GLN 105 N 0.52 0.67 -0.11 4.77 -0.00 -1.62 -0.81 115.11 118.53 3a17 h GLN 105 Ca 0.13 -0.21 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 3a17 h GLN 105 Cb 0.22 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.64 3a17 h GLN 105 CO -0.01 0.77 0.02 1.25 0.00 0.00 0.00 178.83 180.86 3a17 h HIS 106 N 0.61 0.19 -0.89 3.99 2.76 -1.11 -0.33 115.15 120.37 3a17 h HIS 106 Ca 0.11 -0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.31 3a17 h HIS 106 Cb 0.55 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.40 3a17 h HIS 106 CO 0.02 0.37 0.56 0.00 -1.30 0.00 0.00 177.93 177.59 3a17 h ARG 107 N -0.05 1.01 -0.06 5.26 3.08 -0.77 -1.10 114.38 121.75 3a17 h ARG 107 Ca 0.03 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3a17 h ARG 107 Cb 0.28 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3a17 h ARG 107 CO 0.00 0.67 -0.00 2.35 -1.07 0.00 0.00 179.97 181.92 3a17 h TRP 108 N 1.04 0.13 -0.64 3.04 7.01 -0.98 -1.41 115.95 124.13 3a17 h TRP 108 Ca 0.38 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.38 3a17 h TRP 108 Cb 0.13 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.12 3a17 h TRP 108 CO -0.02 0.40 0.41 0.77 -2.79 0.00 0.00 178.44 177.21 3a17 h SER 109 N -0.19 0.68 0.81 2.65 0.02 -0.87 -2.98 113.55 113.67 3a17 h SER 109 Ca 0.02 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3a17 h SER 109 Cb 0.36 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3a17 h SER 109 CO 0.00 0.48 -0.17 0.35 -1.14 0.00 0.00 176.83 176.35 3a17 n THR 110 N -4.69 0.00 -1.81 -2.27 -2.24 -0.43 -2.90 114.28 99.94 3a17 n THR 110 Ca 0.06 -0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.49 3a17 n THR 110 Cb 0.06 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.99 4.87 0.13 3.42 1.04 -0.54 -4.68 113.70 114.96 3a17 s SER 111 Ca 0.13 2.35 -0.18 0.00 0.48 0.00 0.00 55.95 58.73 3a17 s SER 111 Cb 0.19 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 3a17 s SER 111 CO 0.59 -1.81 1.75 0.74 0.98 0.00 0.00 173.24 175.49 3a17 h THR 112 N 0.45 0.94 -0.73 2.02 2.02 -1.90 0.78 112.91 116.50 3a17 h THR 112 Ca -0.49 -0.07 0.08 0.00 0.77 0.00 0.00 66.41 66.70 3a17 h THR 112 Cb 1.29 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 68.37 3a17 h THR 112 CO 0.53 0.04 0.48 -0.65 0.37 0.00 0.00 175.52 176.29 3a17 h PRO 113 N 0.21 0.66 0.01 6.66 0.11 -1.94 -1.95 132.00 135.76 3a17 h PRO 113 Ca 0.11 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.02 3a17 h PRO 113 Cb 0.07 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3a17 h PRO 113 CO -0.11 0.43 -0.85 0.82 -0.21 0.00 0.00 178.00 178.08 3a17 h ILE 114 N 0.68 1.23 -0.44 4.15 1.08 -1.70 -3.24 117.51 119.26 3a17 h ILE 114 Ca 0.33 -2.26 -0.08 0.00 -0.39 0.00 0.00 64.86 62.46 3a17 h ILE 114 Cb 0.40 2.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 3a17 h ILE 114 CO -0.12 0.46 -0.04 0.00 -0.69 0.00 0.00 178.15 177.77 3a17 h ALA 115 N -0.27 1.11 -0.15 1.87 0.00 -0.72 -2.41 119.26 118.70 3a17 h ALA 115 Ca -0.23 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 3a17 h ALA 115 Cb 1.26 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3a17 h ALA 115 CO -0.11 0.56 -0.11 0.66 0.00 0.00 0.00 179.25 180.26 3a17 h SER 116 N 0.69 0.35 -0.89 0.00 4.64 -1.53 0.28 113.55 117.09 3a17 h SER 116 Ca 0.13 -0.45 0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3a17 h SER 116 Cb 0.48 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 62.37 3a17 h SER 116 CO 0.02 0.72 0.47 -0.25 -0.87 0.00 0.00 176.83 176.93 3a17 h TRP 117 N -0.03 0.83 0.00 4.77 7.01 -1.56 -0.43 115.95 126.54 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 0.61 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 3a17 h TRP 117 CO 0.08 0.18 -0.00 2.35 -2.79 0.00 0.00 178.44 178.26 3a17 h TRP 118 N 0.65 -0.00 0.00 2.65 2.91 -1.27 -3.31 115.95 117.57 3a17 h TRP 118 Ca 0.49 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.51 3a17 h TRP 118 Cb 0.73 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.38 3a17 h TRP 118 CO -0.08 0.70 0.00 0.39 -1.03 0.00 0.00 178.44 178.42 3a17 n GLU 119 N -4.75 0.23 -1.48 2.65 1.02 0.07 -4.86 120.64 113.52 3a17 n GLU 119 Ca -0.09 0.36 -0.39 0.00 -0.02 0.00 0.00 57.16 57.03 3a17 n GLU 119 Cb 0.35 -1.87 0.03 0.00 -0.02 0.00 0.00 31.44 29.93 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 -2.29 -0.87 0.21 1.62 2.88 -0.19 -4.92 113.62 110.07 3a17 n SER 120 Ca 0.03 0.77 0.07 0.00 -1.33 0.00 0.00 58.87 58.41 3a17 n SER 120 Cb 0.30 -1.18 0.45 0.00 -0.75 0.00 0.00 64.21 63.02 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 0.35 0.00 -0.70 -1.46 3.07 -1.90 -3.24 114.58 110.70 3a17 h GLU 121 Ca -0.45 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.53 3a17 h GLU 121 Cb 1.40 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.22 3a17 h GLU 121 CO 0.48 0.30 0.26 -0.44 -1.40 0.00 0.00 179.01 178.21 3a17 h ASP 122 N 0.00 0.24 -0.90 1.42 3.32 -1.93 0.19 116.42 118.75 3a17 h ASP 122 Ca -0.00 0.10 0.26 0.00 0.02 0.00 0.00 57.03 57.41 3a17 h ASP 122 Cb 0.69 0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3a17 h ASP 122 CO 0.04 0.11 0.69 0.03 -1.72 0.00 0.00 179.24 178.38 3a17 h ARG 123 N 0.42 0.00 -0.00 3.56 -0.00 -1.87 0.92 114.38 117.42 3a17 h ARG 123 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.85 3a17 h ARG 123 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.50 3a17 h ARG 123 CO -0.37 0.00 -0.29 1.28 0.00 0.00 0.00 179.97 180.59 3a17 n LEU 124 N -4.14 0.48 0.00 3.04 4.77 0.04 -4.21 117.00 116.98 3a17 n LEU 124 Ca 0.19 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3a17 n LEU 124 Cb 1.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 3a17 n LEU 124 CO 0.37 0.10 0.28 -1.54 -1.33 0.00 0.00 177.39 175.28 3a17 n SER 125 N -1.26 0.82 0.19 -1.43 3.41 0.26 -4.74 113.62 110.87 3a17 n SER 125 Ca 0.09 -1.31 0.07 0.00 -0.26 0.00 0.00 58.87 57.45 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 3.32 0.11 -3.47 116.42 120.42 3a17 h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a17 h ASP 126 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3a17 h ASP 126 CO 0.00 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 3a17 n GLY 127 N 0.28 1.39 3.90 2.75 0.00 -1.26 -5.05 105.19 107.20 3a17 n GLY 127 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 4.27 0.07 0.99 1.43 -1.26 -4.93 118.68 119.24 3a17 s LEU 128 Ca 0.00 0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 53.44 3a17 s LEU 128 Cb 0.00 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.86 3a17 s LEU 128 CO 0.00 0.06 0.68 -0.83 0.23 0.00 0.00 176.35 176.49 3a17 s GLY 129 N -2.45 2.75 0.04 -3.19 0.00 0.21 -4.77 107.32 99.92 3a17 s GLY 129 Ca 0.41 0.19 0.08 0.00 0.00 0.00 0.00 44.72 45.40 3a17 s GLY 129 CO 0.25 0.82 -0.24 -1.36 0.00 0.00 0.00 173.10 172.57 3a17 s PHE 130 N -0.59 2.08 0.05 1.90 0.08 0.45 0.28 117.98 122.24 3a17 s PHE 130 Ca 0.34 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 3a17 s PHE 130 Cb -0.20 -1.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.99 3a17 s PHE 130 CO 0.22 0.10 0.15 -0.59 -0.10 0.00 0.00 175.22 174.99 3a17 s PHE 131 N -0.77 0.13 -0.06 0.36 -0.12 -0.86 0.84 117.98 117.50 3a17 s PHE 131 Ca 0.10 -0.42 -0.01 0.00 -0.05 0.00 0.00 56.93 56.55 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 0.02 -0.42 0.02 -0.98 -0.05 0.00 0.00 175.22 173.80 3a17 s ARG 132 N -2.79 0.43 -0.44 1.99 1.70 0.35 -0.42 118.95 119.78 3a17 s ARG 132 Ca -0.03 0.17 0.02 0.00 -0.47 0.00 0.00 55.73 55.42 3a17 s ARG 132 Cb -0.00 -0.84 0.12 0.00 -0.57 0.00 0.00 34.95 33.66 3a17 s ARG 132 CO -0.05 -0.30 0.19 -1.21 -1.08 0.00 0.00 175.30 172.85 3a17 s GLU 133 N 1.98 1.87 -0.21 3.89 2.02 0.86 -1.10 118.70 128.01 3a17 s GLU 133 Ca 0.04 -2.18 -0.02 0.00 0.02 0.00 0.00 54.97 52.84 3a17 s GLU 133 Cb -0.12 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.73 3a17 s GLU 133 CO -0.05 -1.05 -0.10 0.42 0.02 0.00 0.00 175.26 174.51 3a17 s ILE 134 N 0.47 2.84 0.05 -1.63 1.01 0.33 -1.27 121.20 123.00 3a17 s ILE 134 Ca 0.13 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.11 3a17 s ILE 134 Cb -0.22 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3a17 s ILE 134 CO -0.04 0.43 -0.16 0.68 0.00 0.00 0.00 174.94 175.85 3a17 s VAL 135 N 1.39 1.24 -0.47 2.92 -7.23 -0.22 -0.62 120.40 117.40 3a17 s VAL 135 Ca 0.05 -1.10 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 3a17 s VAL 135 Cb -0.14 -1.12 0.16 0.00 0.56 0.00 0.00 36.38 35.84 3a17 s VAL 135 CO -0.07 0.01 0.34 0.00 -0.31 0.00 0.00 175.10 175.08 3a17 s ALA 136 N -0.91 1.94 0.24 1.32 0.00 -0.48 -0.04 121.76 123.84 3a17 s ALA 136 Ca 0.02 -2.69 -0.30 0.00 0.00 0.00 0.00 51.96 48.99 3a17 s ALA 136 Cb -0.08 -1.75 -0.09 0.00 0.00 0.00 0.00 23.12 21.20 3a17 s ALA 136 CO 0.02 -2.03 0.94 -1.25 0.00 0.00 0.00 175.76 173.44 3a17 s PRO 137 N -0.10 4.85 0.93 0.00 0.04 -1.21 -4.82 135.00 134.69 3a17 s PRO 137 Ca 0.28 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3a17 s PRO 137 Cb -0.05 -3.27 0.15 0.00 0.04 0.00 0.00 34.50 31.37 3a17 s PRO 137 CO -0.14 0.51 1.09 1.03 0.04 0.00 0.00 177.00 179.53 3a17 s ARG 138 N -1.20 0.98 0.48 4.56 0.52 -1.26 -1.88 118.95 121.15 3a17 s ARG 138 Ca 0.41 0.99 0.24 0.00 -0.52 0.00 0.00 55.73 56.85 3a17 s ARG 138 Cb -0.26 -1.76 1.29 0.00 0.52 0.00 0.00 34.95 34.73 3a17 s ARG 138 CO 0.32 -2.48 1.87 0.00 0.02 0.00 0.00 175.30 175.04 3a17 h ALA 139 N -1.73 2.52 -0.00 2.13 0.00 -0.58 0.82 119.26 122.42 3a17 h ALA 139 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3a17 h ALA 139 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3a17 h ALA 139 CO 0.51 -0.79 -0.15 -0.85 0.00 0.00 0.00 179.25 177.97 3a17 n GLU 140 N -4.40 0.28 -0.49 0.00 0.28 -1.26 -3.85 120.64 111.20 3a17 n GLU 140 Ca 0.19 -0.08 0.08 0.00 -0.16 0.00 0.00 57.16 57.18 3a17 n GLU 140 Cb 0.82 -1.50 0.28 0.00 1.43 0.00 0.00 31.44 32.47 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 -1.29 3.35 -3.81 3.44 6.02 0.28 -1.66 117.38 123.71 3a17 n GLN 141 Ca 0.10 -2.75 -0.11 0.00 -0.01 0.00 0.00 57.00 54.23 3a17 n GLN 141 Cb 0.31 -1.81 -0.08 0.00 1.02 0.00 0.00 30.24 29.68 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 -2.31 -0.02 0.05 1.08 -0.12 -1.23 -1.47 117.98 113.96 3a17 s PHE 142 Ca 0.42 -0.14 0.02 0.00 -0.05 0.00 0.00 56.93 57.19 3a17 s PHE 142 Cb 0.31 0.03 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 3a17 s PHE 142 CO 0.14 -0.45 -0.08 -1.83 -0.05 0.00 0.00 175.22 172.95 3a17 s GLU 143 N -2.42 0.60 0.03 1.99 4.04 -0.37 -4.62 118.70 117.96 3a17 s GLU 143 Ca -0.06 -0.88 0.06 0.00 0.04 0.00 0.00 54.97 54.13 3a17 s GLU 143 Cb -0.02 -0.30 -0.02 0.00 0.02 0.00 0.00 34.13 33.81 3a17 s GLU 143 CO -0.03 0.04 -0.16 0.95 -1.84 0.00 0.00 175.26 174.22 3a17 s THR 144 N -1.81 1.31 -0.04 1.83 -4.23 -1.26 -1.08 115.64 110.36 3a17 s THR 144 Ca -0.05 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 3a17 s THR 144 Cb -0.07 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.64 3a17 s THR 144 CO -0.00 0.13 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.98 3a17 s LEU 145 N -1.02 1.10 -0.04 4.79 2.96 -0.70 -4.45 118.68 121.33 3a17 s LEU 145 Ca 0.04 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3a17 s LEU 145 Cb -0.08 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.32 3a17 s LEU 145 CO 0.01 -0.11 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.49 3a17 s TYR 146 N 1.15 1.39 -0.29 5.38 2.02 0.16 -0.79 117.35 126.37 3a17 s TYR 146 Ca -0.08 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3a17 s TYR 146 Cb -0.14 -0.96 0.34 0.00 -0.40 0.00 0.00 41.96 40.80 3a17 s TYR 146 CO -0.02 -0.15 1.66 0.00 -1.57 0.00 0.00 175.55 175.47 3a17 n ALA 147 N 3.27 4.55 -3.79 3.71 0.00 -0.44 -0.43 120.51 127.39 3a17 n ALA 147 Ca -0.19 -1.72 -0.02 0.00 0.00 0.00 0.00 53.44 51.51 3a17 n ALA 147 Cb 0.53 -1.30 -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 -1.94 -0.04 0.00 0.00 -0.71 -1.26 -4.78 117.98 109.25 3a17 s PHE 148 Ca 0.33 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 3a17 s PHE 148 Cb 0.27 0.65 0.00 0.00 -1.21 0.00 0.00 43.02 42.73 3a17 s PHE 148 CO 0.04 -0.77 0.00 1.04 -1.34 0.00 0.00 175.22 174.19 3a17 n GLN 149 N -0.57 3.38 -4.71 1.99 6.02 -1.26 -4.59 117.38 117.64 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 -0.70 -0.13 0.00 1.02 0.00 0.00 30.24 31.03 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 -1.35 2.03 -1.09 -1.09 1.03 -1.26 -4.75 118.70 112.23 3a17 s GLU 150 Ca 0.00 -1.00 -0.16 0.00 0.03 0.00 0.00 54.97 53.84 3a17 s GLU 150 Cb 0.00 -2.15 -0.03 0.00 -0.80 0.00 0.00 34.13 31.15 3a17 s GLU 150 CO 0.00 0.54 0.83 -0.25 -1.33 0.00 0.00 175.26 175.05 3a17 n ASP 151 N 1.62 -5.82 -4.69 0.83 8.00 -1.26 -4.86 116.55 110.36 3a17 n ASP 151 Ca -0.16 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 3a17 n ASP 151 Cb 0.52 -3.97 -0.03 0.00 -0.02 0.00 0.00 41.12 37.63 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 -6.04 4.37 0.96 0.64 1.43 -1.26 -5.01 118.68 113.77 3a17 s LEU 152 Ca 0.45 2.50 -0.16 0.00 -1.03 0.00 0.00 54.13 55.89 3a17 s LEU 152 Cb -0.13 -3.56 0.20 0.00 0.03 0.00 0.00 46.19 42.72 3a17 s LEU 152 CO 0.82 -0.89 1.31 -2.16 0.23 0.00 0.00 176.35 175.66 3a17 s PRO 153 N 2.59 0.63 5.24 1.29 0.04 -1.26 -2.89 135.00 140.63 3a17 s PRO 153 Ca 0.74 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.42 3a17 s PRO 153 Cb -0.40 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3a17 s PRO 153 CO 0.32 -2.43 0.00 0.41 0.04 0.00 0.00 177.00 175.34 3a17 n GLY 154 N -3.61 2.19 0.25 0.56 0.00 -1.26 -2.52 105.19 100.80 3a17 n GLY 154 Ca 0.15 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.42 -0.18 1.61 3.04 -1.98 -2.57 116.25 116.60 3a17 h VAL 155 Ca 0.00 -0.80 0.05 0.00 -1.01 0.00 0.00 66.70 64.95 3a17 h VAL 155 Cb 0.00 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 3a17 h VAL 155 CO 0.00 0.14 0.16 1.23 -1.01 0.00 0.00 177.57 178.09 3a17 h GLY 156 N 1.65 0.00 2.00 3.17 0.00 -1.77 -1.43 103.07 106.69 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 -0.14 0.00 0.00 0.00 0.00 176.54 176.42 3a17 h ALA 157 N 1.85 1.31 -0.37 3.60 0.00 -1.32 -2.99 119.26 121.35 3a17 h ALA 157 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a17 h ALA 157 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3a17 h ALA 157 CO -0.00 0.17 0.00 1.33 0.00 0.00 0.00 179.25 180.75 3a17 n VAL 158 N -3.71 0.65 -2.71 0.00 0.24 -0.54 -4.93 118.33 107.33 3a17 n VAL 158 Ca -0.02 -0.82 -0.21 0.00 -2.04 0.00 0.00 64.34 61.25 3a17 n VAL 158 Cb 0.25 0.81 0.06 0.00 -1.47 0.00 0.00 33.84 33.49 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 -1.18 2.32 -0.00 7.34 -1.94 -1.13 -4.94 119.30 119.77 3a17 s MET 159 Ca 0.32 -1.02 -0.23 0.00 -1.71 0.00 0.00 55.69 53.05 3a17 s MET 159 Cb 0.18 -2.49 -0.18 0.00 2.01 0.00 0.00 34.83 34.34 3a17 s MET 159 CO 0.25 -0.88 1.25 -0.44 -0.01 0.00 0.00 175.02 175.19 3a17 h ASP 160 N -0.01 0.19 0.00 3.03 3.32 -1.03 -3.49 116.42 118.43 3a17 h ASP 160 Ca -0.39 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.12 3a17 h ASP 160 Cb 1.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3a17 h ASP 160 CO 0.47 0.69 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 3a17 n GLY 161 N 0.36 1.24 3.74 2.75 0.00 -1.03 -5.01 105.19 107.24 3a17 n GLY 161 Ca -0.08 -0.55 -0.33 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 -1.94 4.53 0.87 -0.61 1.10 -1.26 -0.04 121.20 123.86 3a17 s ILE 162 Ca 0.00 -0.40 -0.13 0.00 -0.51 0.00 0.00 60.65 59.61 3a17 s ILE 162 Cb 0.00 -3.02 0.14 0.00 0.15 0.00 0.00 42.46 39.73 3a17 s ILE 162 CO 0.00 0.42 1.24 -0.94 -2.11 0.00 0.00 174.94 173.55 3a17 s SER 163 N -1.48 3.86 1.01 4.50 1.04 -0.58 -4.83 113.70 117.22 3a17 s SER 163 Ca 0.20 0.50 -0.05 0.00 0.48 0.00 0.00 55.95 57.08 3a17 s SER 163 Cb -0.12 -0.79 0.06 0.00 0.10 0.00 0.00 66.02 65.28 3a17 s SER 163 CO 0.10 -2.28 0.34 0.61 0.98 0.00 0.00 173.24 172.99 3a17 n GLY 164 N -3.50 -1.45 3.68 7.32 0.00 -1.26 -4.71 105.19 105.27 3a17 n GLY 164 Ca 0.12 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.75 4.16 0.32 1.61 2.02 -1.26 -4.53 118.70 117.26 3a17 s GLU 165 Ca 0.20 2.50 -0.01 0.00 0.02 0.00 0.00 54.97 57.67 3a17 s GLU 165 Cb -0.01 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 3a17 s GLU 165 CO 0.14 -0.86 0.54 0.96 0.02 0.00 0.00 175.26 176.07 3a17 s ILE 166 N 3.42 5.09 -0.12 -1.63 -4.36 -0.87 -3.75 121.20 118.97 3a17 s ILE 166 Ca 0.81 -0.28 -0.24 0.00 -0.26 0.00 0.00 60.65 60.68 3a17 s ILE 166 Cb -0.42 -3.81 -0.26 0.00 1.25 0.00 0.00 42.46 39.21 3a17 s ILE 166 CO 0.36 -0.46 0.66 -1.13 0.24 0.00 0.00 174.94 174.61 3a17 h ASN 167 N 1.12 0.17 0.00 4.36 -0.73 -1.70 -3.43 115.58 115.37 3a17 h ASN 167 Ca -0.49 -0.88 -0.69 0.00 1.87 0.00 0.00 56.30 56.11 3a17 h ASN 167 Cb 1.21 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.72 3a17 h ASN 167 CO 0.63 1.28 3.27 -0.62 -0.37 0.00 0.00 177.43 181.63 3a17 n GLU 168 N -4.35 2.99 -3.85 6.67 4.71 -1.26 -4.47 120.64 121.08 3a17 n GLU 168 Ca -0.17 -2.44 -0.08 0.00 -0.01 0.00 0.00 57.16 54.45 3a17 n GLU 168 Cb 0.67 -3.14 -0.03 0.00 -1.01 0.00 0.00 31.44 27.93 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 3.03 -0.09 0.00 -0.32 -3.43 -1.26 -4.65 115.29 108.57 3a17 s HIS 169 Ca 0.53 -0.32 0.00 0.00 -0.80 0.00 0.00 55.06 54.47 3a17 s HIS 169 Cb 0.15 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.85 3a17 s HIS 169 CO -0.07 -1.12 0.00 0.41 -2.00 0.00 0.00 174.74 171.95 3a17 n GLY 170 N -0.42 0.77 3.14 -1.38 0.00 -1.26 -4.69 105.19 101.35 3a17 n GLY 170 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.21 0.29 -0.05 1.61 1.13 -1.26 -4.90 117.35 111.96 3a17 s TYR 171 Ca 0.00 -0.73 -0.30 0.00 -1.41 0.00 0.00 57.07 54.63 3a17 s TYR 171 Cb 0.00 -0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 3a17 s TYR 171 CO 0.00 -0.44 1.29 -1.58 -2.51 0.00 0.00 175.55 172.31 3a17 s TRP 172 N -3.53 3.00 0.00 -3.49 0.52 -1.26 -2.15 118.94 112.03 3a17 s TRP 172 Ca 0.03 1.03 0.00 0.00 0.02 0.00 0.00 56.10 57.18 3a17 s TRP 172 Cb 0.04 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 28.84 3a17 s TRP 172 CO -0.09 -1.81 0.00 0.41 0.02 0.00 0.00 176.95 175.48 3a17 n GLY 173 N 3.51 1.46 0.22 0.98 0.00 -1.26 -4.98 105.19 105.13 3a17 n GLY 173 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 0.62 -0.14 1.61 4.64 -1.75 -2.97 113.55 115.56 3a17 h SER 174 Ca 0.00 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.07 3a17 h SER 174 Cb 0.00 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 61.87 3a17 h SER 174 CO 0.00 0.99 -0.16 -0.03 -0.87 0.00 0.00 176.83 176.76 3a17 h MET 175 N 0.46 -0.19 -0.53 4.77 -1.53 -1.82 -2.22 114.93 113.87 3a17 h MET 175 Ca 0.03 0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.40 3a17 h MET 175 Cb 0.98 0.04 -0.08 0.00 -0.55 0.00 0.00 31.60 31.99 3a17 h MET 175 CO 0.09 -0.12 0.06 -0.09 0.14 0.00 0.00 176.91 176.99 3a17 h ARG 176 N -0.19 0.18 0.00 0.39 2.43 -1.95 -1.82 114.38 113.43 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 0.34 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3a17 h ARG 176 CO -0.26 0.12 0.00 0.93 -1.51 0.00 0.00 179.97 179.25 3a17 h GLU 177 N 0.19 0.00 0.00 0.20 5.08 -1.30 -1.22 114.58 117.54 3a17 h GLU 177 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3a17 h GLU 177 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3a17 h GLU 177 CO -0.39 0.00 -0.43 0.54 -1.00 0.00 0.00 179.01 177.73 3a17 n ARG 178 N -2.42 0.19 -2.40 2.33 1.74 -0.69 -4.69 116.66 110.71 3a17 n ARG 178 Ca 0.01 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.74 3a17 n ARG 178 Cb 0.19 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 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 -3.10 2.75 0.30 -1.55 0.40 -0.46 -4.62 117.98 111.70 3a17 s PHE 179 Ca 0.09 0.93 0.05 0.00 -0.60 0.00 0.00 56.93 57.40 3a17 s PHE 179 Cb 0.15 -3.66 0.71 0.00 0.51 0.00 0.00 43.02 40.72 3a17 s PHE 179 CO 0.67 -1.79 1.79 -1.35 0.70 0.00 0.00 175.22 175.24 3a17 h PRO 180 N 8.69 0.78 0.00 0.24 0.11 -1.81 -1.68 132.00 138.34 3a17 h PRO 180 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3a17 h PRO 180 Cb 1.10 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3a17 h PRO 180 CO 0.99 0.52 0.00 0.97 -0.21 0.00 0.00 178.00 180.27 3a17 h ILE 181 N 0.80 0.00 0.00 4.15 2.10 -1.68 -2.57 117.51 120.32 3a17 h ILE 181 Ca 0.57 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.32 3a17 h ILE 181 Cb 0.83 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.56 3a17 h ILE 181 CO -0.36 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.17 3a17 n SER 182 N -2.67 0.00 0.15 2.19 3.41 -0.63 -0.11 113.62 115.96 3a17 n SER 182 Ca -0.00 0.44 0.02 0.00 -0.26 0.00 0.00 58.87 59.07 3a17 n SER 182 Cb 0.16 -0.47 0.36 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 0.13 0.00 4.33 4.20 -1.64 -3.36 115.11 118.76 3a17 h GLN 183 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3a17 h GLN 183 Cb 0.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3a17 h GLN 183 CO 0.00 0.40 -0.77 0.25 -0.67 0.00 0.00 178.83 178.04 3a17 n THR 184 N -4.17 0.00 -4.70 -0.54 -2.24 -0.62 -0.43 114.28 101.58 3a17 n THR 184 Ca -0.01 -0.03 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 3a17 n THR 184 Cb 0.36 0.45 -0.15 0.00 -2.10 0.00 0.00 70.33 68.89 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 -1.60 2.01 0.00 3.42 2.15 0.85 -4.81 116.67 118.70 3a17 s ASP 185 Ca 0.00 -0.36 0.25 0.00 0.43 0.00 0.00 52.55 52.87 3a17 s ASP 185 Cb 0.00 -0.20 1.06 0.00 -0.30 0.00 0.00 42.92 43.48 3a17 s ASP 185 CO 0.00 0.17 1.80 0.79 -0.17 0.00 0.00 175.17 177.76 3a17 n TRP 186 N 2.41 0.02 -4.10 -5.34 7.02 -1.26 -4.14 117.44 112.05 3a17 n TRP 186 Ca -0.16 0.01 -0.32 0.00 -1.02 0.00 0.00 57.50 56.01 3a17 n TRP 186 Cb 0.54 -0.51 -0.02 0.00 -2.42 0.00 0.00 31.31 28.90 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 -1.51 -3.48 -2.32 -0.99 2.81 -1.26 -4.90 117.12 105.46 3a17 n MET 187 Ca 0.06 0.41 -0.41 0.00 -1.81 0.00 0.00 57.70 55.95 3a17 n MET 187 Cb 0.29 -4.95 -0.03 0.00 -0.71 0.00 0.00 33.22 27.82 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 -6.78 4.50 0.18 0.03 0.74 -1.26 -4.63 119.66 112.44 3a17 s GLN 188 Ca 0.49 1.97 -0.22 0.00 0.05 0.00 0.00 55.36 57.66 3a17 s GLN 188 Cb -0.26 -3.16 -0.08 0.00 1.10 0.00 0.00 33.01 30.61 3a17 s GLN 188 CO 0.90 0.00 0.72 0.00 -0.55 0.00 0.00 175.29 176.36 3a17 s ALA 189 N -0.90 3.46 0.07 1.58 0.00 -1.26 -4.63 121.76 120.08 3a17 s ALA 189 Ca 0.48 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 3a17 s ALA 189 Cb -0.35 -2.84 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3a17 s ALA 189 CO 0.44 0.33 0.34 -1.54 0.00 0.00 0.00 175.76 175.33 3a17 s SER 190 N -1.39 -0.16 0.00 0.00 1.04 -1.23 -5.06 113.70 106.91 3a17 s SER 190 Ca 0.38 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.57 3a17 s SER 190 Cb -0.19 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3a17 s SER 190 CO 0.23 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3a17 n GLY 191 N 0.25 -0.00 3.52 7.32 0.00 -1.26 -2.67 105.19 112.35 3a17 n GLY 191 Ca -0.17 -1.81 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.86 1.89 -0.28 1.61 8.01 -1.26 -4.93 118.70 121.87 3a17 s GLU 192 Ca 0.00 -1.37 -0.29 0.00 0.01 0.00 0.00 54.97 53.32 3a17 s GLU 192 Cb 0.00 -2.05 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 3a17 s GLU 192 CO 0.00 0.42 1.12 -1.17 0.01 0.00 0.00 175.26 175.64 3a17 s LEU 193 N -2.82 3.98 -0.01 1.80 2.96 -1.26 -4.36 118.68 118.97 3a17 s LEU 193 Ca 0.24 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 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 0.14 -0.85 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.14 3a17 s ARG 194 N 3.62 0.48 0.21 1.98 0.52 -0.90 -0.83 118.95 124.03 3a17 s ARG 194 Ca 0.48 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 3a17 s ARG 194 Cb -0.14 -0.49 -0.09 0.00 0.52 0.00 0.00 34.95 34.75 3a17 s ARG 194 CO 0.14 0.06 1.31 0.08 0.02 0.00 0.00 175.30 176.92 3a17 s VAL 195 N 0.13 3.16 0.00 3.52 1.01 -0.57 0.36 120.40 128.01 3a17 s VAL 195 Ca -0.01 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3a17 s VAL 195 Cb -0.05 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3a17 s VAL 195 CO -0.00 0.15 0.22 2.30 0.00 0.00 0.00 175.10 177.76 3a17 n ILE 196 N 2.49 0.00 -3.67 2.22 -5.35 -0.27 -4.42 119.36 110.35 3a17 n ILE 196 Ca 0.06 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 3a17 n ILE 196 Cb 0.43 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 39.27 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 -0.49 -1.38 0.00 -1.28 0.00 -1.17 -4.97 121.76 112.46 3a17 s ALA 197 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3a17 s ALA 197 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.02 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 4.11 -2.00 2.83 0.00 0.00 -1.26 -0.99 105.19 107.88 3a17 n GLY 198 Ca -0.21 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.97 0.98 0.46 1.61 -1.08 -1.26 -4.81 116.67 108.60 3a17 s ASP 199 Ca 0.00 0.06 0.21 0.00 -0.52 0.00 0.00 52.55 52.30 3a17 s ASP 199 Cb 0.00 0.51 1.20 0.00 -1.46 0.00 0.00 42.92 43.17 3a17 s ASP 199 CO 0.00 -0.30 1.92 -0.65 0.52 0.00 0.00 175.17 176.66 3a17 h PRO 200 N 8.30 0.25 0.00 4.34 0.11 -1.92 -0.43 132.00 142.64 3a17 h PRO 200 Ca -0.16 -0.01 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 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 3a17 n ALA 201 N -2.58 2.04 0.26 -0.75 0.00 -1.26 -3.13 120.51 115.09 3a17 n ALA 201 Ca 0.15 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.54 3a17 n ALA 201 Cb 0.66 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.28 0.00 -4.14 0.00 0.31 -0.18 -5.09 118.33 107.96 3a17 n VAL 202 Ca 0.09 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3a17 n VAL 202 Cb 0.15 0.79 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 1.45 -1.23 7.00 2.92 0.00 -1.18 -5.04 105.19 109.10 3a17 n GLY 203 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.23 3.71 -0.02 0.00 -1.26 -4.69 105.19 103.16 3a17 n GLY 204 Ca 0.00 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 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 4.48 -0.04 1.61 0.52 -1.26 -1.15 118.95 123.11 3a17 s ARG 205 Ca 0.00 1.22 0.01 0.00 -0.52 0.00 0.00 55.73 56.45 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 0.62 -0.13 3.52 1.01 0.57 -4.28 120.40 122.89 3a17 s VAL 206 Ca 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 3a17 s VAL 206 Cb -0.19 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 3a17 s VAL 206 CO 0.22 0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 3a17 s VAL 207 N 0.75 3.17 -0.13 2.92 1.01 -0.16 -0.92 120.40 127.04 3a17 s VAL 207 Ca -0.11 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 3a17 s VAL 207 Cb -0.14 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3a17 s VAL 207 CO 0.01 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.88 3a17 s VAL 208 N 0.35 3.77 -0.14 2.92 1.01 -0.45 -1.11 120.40 126.75 3a17 s VAL 208 Ca -0.10 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3a17 s VAL 208 Cb -0.16 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3a17 s VAL 208 CO 0.05 0.53 0.48 -0.60 0.00 0.00 0.00 175.10 175.56 3a17 s ARG 209 N -0.01 4.30 0.99 2.72 3.52 0.16 -3.58 118.95 127.05 3a17 s ARG 209 Ca 0.00 0.42 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 3a17 s ARG 209 Cb -0.13 -3.46 0.20 0.00 -1.56 0.00 0.00 34.95 29.99 3a17 s ARG 209 CO 0.03 0.10 1.26 0.20 -0.81 0.00 0.00 175.30 176.07 3a17 s GLY 210 N 0.73 1.71 0.45 8.12 0.00 -1.26 -2.11 107.32 114.96 3a17 s GLY 210 Ca 0.25 -1.06 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3a17 s GLY 210 CO 0.10 -0.31 0.02 -2.38 0.00 0.00 0.00 173.10 170.53 3a17 s HIS 211 N -3.66 2.10 0.32 1.90 -3.43 -1.26 -4.77 115.29 106.48 3a17 s HIS 211 Ca 0.72 -0.89 -0.29 0.00 -0.80 0.00 0.00 55.06 53.80 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 0.00 174.74 174.47 3a17 s ASP 212 N -3.75 6.49 -1.53 7.38 1.01 -1.09 -3.60 116.67 121.57 3a17 s ASP 212 Ca 0.21 2.88 -0.05 0.00 0.71 0.00 0.00 52.55 56.29 3a17 s ASP 212 Cb 0.05 -2.65 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3a17 s ASP 212 CO 0.11 -0.79 0.60 0.59 0.21 0.00 0.00 175.17 175.88 3a17 n ASN 213 N 1.45 -5.89 -4.75 0.27 3.02 0.70 -3.47 115.26 106.59 3a17 n ASN 213 Ca 0.04 -0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 53.92 3a17 n ASN 213 Cb 0.39 -4.77 0.04 0.00 -0.61 0.00 0.00 39.78 34.84 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 -3.16 2.24 0.15 2.41 1.01 -1.24 -4.09 121.20 118.53 3a17 s ILE 214 Ca 0.31 0.16 0.09 0.00 0.00 0.00 0.00 60.65 61.22 3a17 s ILE 214 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3a17 s ILE 214 CO 0.39 -0.01 -0.16 0.00 0.00 0.00 0.00 174.94 175.16 3a17 s ALA 215 N -1.39 2.76 -0.08 9.38 0.00 -0.40 -2.91 121.76 129.12 3a17 s ALA 215 Ca 0.75 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.25 3a17 s ALA 215 Cb -0.37 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.15 3a17 s ALA 215 CO 0.42 0.52 -0.02 -1.17 0.00 0.00 0.00 175.76 175.51 3a17 s LEU 216 N -2.50 0.81 -0.17 0.00 2.96 0.20 -0.76 118.68 119.21 3a17 s LEU 216 Ca 0.21 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3a17 s LEU 216 Cb -0.09 -0.52 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 3a17 s LEU 216 CO 0.12 -0.16 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.44 3a17 s ILE 217 N 1.77 3.74 -0.34 6.68 2.07 -0.54 -0.83 121.20 133.75 3a17 s ILE 217 Ca 0.03 -0.40 -0.08 0.00 -1.41 0.00 0.00 60.65 58.78 3a17 s ILE 217 Cb -0.13 -2.65 0.02 0.00 0.13 0.00 0.00 42.46 39.84 3a17 s ILE 217 CO -0.05 0.47 0.14 -0.60 -1.91 0.00 0.00 174.94 172.99 3a17 s ARG 218 N 0.62 2.86 -0.19 3.50 3.52 0.27 -1.68 118.95 127.85 3a17 s ARG 218 Ca -0.03 -1.03 0.01 0.00 -0.13 0.00 0.00 55.73 54.55 3a17 s ARG 218 Cb -0.14 -3.54 0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3a17 s ARG 218 CO 0.02 -0.60 -0.18 0.45 -0.81 0.00 0.00 175.30 174.18 3a17 s SER 219 N 1.49 3.34 0.28 -2.12 0.15 -0.94 -0.20 113.70 115.71 3a17 s SER 219 Ca 0.01 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 56.06 3a17 s SER 219 Cb -0.19 -1.50 -0.05 0.00 -1.71 0.00 0.00 66.02 62.57 3a17 s SER 219 CO 0.04 -0.02 -0.19 -0.83 1.20 0.00 0.00 173.24 173.44 3a17 s GLY 220 N 1.28 1.88 -0.03 9.45 0.00 0.28 -0.33 107.32 119.85 3a17 s GLY 220 Ca 0.04 -1.88 -0.00 0.00 0.00 0.00 0.00 44.72 42.87 3a17 s GLY 220 CO -0.12 -1.96 0.03 1.20 0.00 0.00 0.00 173.10 172.25 3a17 s GLN 221 N -3.53 0.10 -0.22 2.90 1.11 0.77 -2.82 119.66 117.97 3a17 s GLN 221 Ca 0.30 0.20 -0.01 0.00 0.01 0.00 0.00 55.36 55.85 3a17 s GLN 221 Cb -0.04 -0.44 0.06 0.00 -1.01 0.00 0.00 33.01 31.59 3a17 s GLN 221 CO 0.15 -0.21 0.02 0.34 0.01 0.00 0.00 175.29 175.59 3a17 s ASP 222 N 1.41 3.34 -0.12 5.90 2.15 -0.05 -0.05 116.67 129.25 3a17 s ASP 222 Ca -0.05 -1.04 0.16 0.00 0.43 0.00 0.00 52.55 52.06 3a17 s ASP 222 Cb -0.13 -0.81 0.29 0.00 -0.30 0.00 0.00 42.92 41.97 3a17 s ASP 222 CO -0.03 -0.30 1.17 -2.67 -0.17 0.00 0.00 175.17 173.18 3a17 n TRP 223 N 4.90 0.14 0.10 -5.34 2.14 -0.61 -0.65 117.44 118.12 3a17 n TRP 223 Ca -0.09 -0.91 0.04 0.00 2.07 0.00 0.00 57.50 58.61 3a17 n TRP 223 Cb 0.46 -0.16 0.44 0.00 -0.81 0.00 0.00 31.31 31.24 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 0.30 1.66 -0.10 -1.67 0.00 -1.80 -2.46 119.26 115.18 3a17 h ALA 224 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3a17 h ALA 224 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3a17 h ALA 224 CO 0.03 0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3a17 n ASP 225 N -4.40 2.86 -4.75 0.00 8.00 -1.26 -5.00 116.55 112.01 3a17 n ASP 225 Ca 0.00 -1.93 -0.41 0.00 0.71 0.00 0.00 54.79 53.17 3a17 n ASP 225 Cb 0.16 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -1.89 3.48 0.94 2.24 0.00 -0.93 -4.87 121.76 120.73 3a17 s ALA 226 Ca 0.31 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 3a17 s ALA 226 Cb 0.21 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 20.04 3a17 s ALA 226 CO 0.31 -0.47 1.12 -1.21 0.00 0.00 0.00 175.76 175.50 3a17 s GLU 227 N -0.99 0.88 0.27 0.00 0.41 -1.26 -4.57 118.70 113.43 3a17 s GLU 227 Ca 0.51 0.38 -0.05 0.00 -0.41 0.00 0.00 54.97 55.41 3a17 s GLU 227 Cb -0.36 -1.80 0.54 0.00 -1.78 0.00 0.00 34.13 30.72 3a17 s GLU 227 CO 0.44 -2.40 1.60 0.00 -0.49 0.00 0.00 175.26 174.41 3a17 h ALA 228 N -1.65 0.88 -0.29 5.21 0.00 -1.98 0.50 119.26 121.94 3a17 h ALA 228 Ca -0.52 0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3a17 h ALA 228 Cb 1.33 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 3a17 h ALA 228 CO 0.60 -0.46 -0.13 0.38 0.00 0.00 0.00 179.25 179.64 3a17 h ASP 229 N 0.06 0.62 0.45 0.00 2.03 -1.99 -1.56 116.42 116.03 3a17 h ASP 229 Ca 0.48 -0.40 -0.20 0.00 -0.73 0.00 0.00 57.03 56.17 3a17 h ASP 229 Cb 0.88 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 3a17 h ASP 229 CO -0.79 0.89 -0.86 -0.08 -1.03 0.00 0.00 179.24 177.37 3a17 h GLU 230 N 0.35 0.29 -0.58 4.15 4.81 -1.76 0.61 114.58 122.45 3a17 h GLU 230 Ca 0.07 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3a17 h GLU 230 Cb 0.65 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 3a17 h GLU 230 CO 0.04 0.99 0.19 0.00 -0.73 0.00 0.00 179.01 179.50 3a17 h ARG 231 N 0.17 0.34 -0.09 1.92 3.08 0.02 -1.83 114.38 117.99 3a17 h ARG 231 Ca -0.05 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 3a17 h ARG 231 Cb 1.47 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 31.45 3a17 h ARG 231 CO 0.14 0.23 -0.59 1.03 -1.07 0.00 0.00 179.97 179.70 3a17 h SER 232 N 0.35 0.67 -0.50 7.04 0.87 -1.03 -0.98 113.55 119.97 3a17 h SER 232 Ca 0.29 -0.67 0.10 0.00 -1.23 0.00 0.00 61.79 60.29 3a17 h SER 232 Cb 0.38 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.04 3a17 h SER 232 CO -0.32 1.23 -0.28 0.25 -0.53 0.00 0.00 176.83 177.18 3a17 h LEU 233 N 0.15 -0.95 0.04 2.23 5.85 -0.76 0.32 115.31 122.19 3a17 h LEU 233 Ca -0.05 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3a17 h LEU 233 Cb 1.24 0.49 0.00 0.00 0.37 0.00 0.00 40.66 42.76 3a17 h LEU 233 CO 0.12 -0.28 -0.02 0.22 -0.34 0.00 0.00 178.44 178.14 3a17 h TYR 234 N -0.16 -0.05 -0.09 1.25 3.20 -1.33 -1.80 116.97 117.99 3a17 h TYR 234 Ca 0.22 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.89 3a17 h TYR 234 Cb 0.52 0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.80 3a17 h TYR 234 CO -0.55 0.50 -0.76 -0.07 -1.64 0.00 0.00 178.16 175.64 3a17 h LEU 235 N -0.64 0.58 0.00 2.82 3.38 -1.11 0.36 115.31 120.70 3a17 h LEU 235 Ca -0.01 -0.39 -0.15 0.00 0.09 0.00 0.00 57.88 57.43 3a17 h LEU 235 Cb 0.57 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3a17 h LEU 235 CO 0.01 1.15 -1.75 0.47 0.09 0.00 0.00 178.44 178.41 3a17 n ASP 236 N -3.85 0.43 -0.06 -0.43 8.00 0.11 -4.35 116.55 116.40 3a17 n ASP 236 Ca -0.05 0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 3a17 n ASP 236 Cb 0.73 0.89 -0.04 0.00 -0.02 0.00 0.00 41.12 42.67 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 -2.66 0.26 -0.07 -1.24 -0.58 -0.87 -4.71 120.64 110.77 3a17 n GLU 237 Ca -0.12 0.10 -0.14 0.00 -0.42 0.00 0.00 57.16 56.59 3a17 n GLU 237 Cb 0.80 -0.97 -0.11 0.00 -0.57 0.00 0.00 31.44 30.59 3a17 n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3a17 h ILE 238 N -0.36 1.36 -0.49 -3.67 2.04 -1.05 -3.40 117.51 111.95 3a17 h ILE 238 Ca -0.30 -2.12 0.07 0.00 1.00 0.00 0.00 64.86 63.52 3a17 h ILE 238 Cb 1.28 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 39.97 3a17 h ILE 238 CO -0.16 0.46 0.13 0.25 0.00 0.00 0.00 178.15 178.83 3a17 h LEU 239 N -1.00 0.09 -0.99 1.44 5.85 -0.49 -2.28 115.31 117.92 3a17 h LEU 239 Ca -0.07 0.07 0.21 0.00 0.84 0.00 0.00 57.88 58.93 3a17 h LEU 239 Cb 0.92 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 41.92 3a17 h LEU 239 CO -0.04 0.08 0.58 -0.65 -0.34 0.00 0.00 178.44 178.07 3a17 h PRO 240 N 0.29 0.66 -0.09 5.25 0.11 -1.77 0.97 132.00 137.42 3a17 h PRO 240 Ca 0.24 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 66.09 3a17 h PRO 240 Cb 0.29 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.26 3a17 h PRO 240 CO -0.28 0.44 -0.83 1.15 -0.21 0.00 0.00 178.00 178.26 3a17 h THR 241 N 0.68 1.32 -0.65 -1.15 2.02 -1.67 -2.26 112.91 111.19 3a17 h THR 241 Ca 0.59 -2.12 -0.04 0.00 0.77 0.00 0.00 66.41 65.61 3a17 h THR 241 Cb 1.00 2.14 -0.03 0.00 -1.74 0.00 0.00 68.15 69.52 3a17 h THR 241 CO -0.42 0.66 0.24 0.25 0.37 0.00 0.00 175.52 176.62 3a17 h LEU 242 N 0.41 0.92 -0.19 2.58 5.85 -0.38 -1.68 115.31 122.81 3a17 h LEU 242 Ca -0.06 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.51 3a17 h LEU 242 Cb 1.45 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 3a17 h LEU 242 CO 0.16 0.85 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.47 3a17 h GLN 243 N 0.93 0.02 -0.81 1.25 5.75 0.90 0.15 115.11 123.30 3a17 h GLN 243 Ca 0.21 -0.00 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 3a17 h GLN 243 Cb 0.24 -0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 3a17 h GLN 243 CO -0.01 0.01 0.50 1.03 -2.65 0.00 0.00 178.83 177.71 3a17 h SER 244 N 0.02 0.79 -0.39 -0.69 0.87 -1.19 0.15 113.55 113.11 3a17 h SER 244 Ca 0.09 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 3a17 h SER 244 Cb 0.13 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3a17 h SER 244 CO -0.19 0.52 0.05 1.23 -0.53 0.00 0.00 176.83 177.91 3a17 h GLY 245 N 0.93 0.70 1.14 5.77 0.00 -0.75 -1.48 103.07 109.39 3a17 h GLY 245 Ca 0.34 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3a17 h GLY 245 CO -0.16 0.44 0.26 -0.33 0.00 0.00 0.00 176.54 176.76 3a17 h MET 246 N 0.49 1.08 -0.58 4.80 2.07 -0.08 -1.85 114.93 120.86 3a17 h MET 246 Ca 0.12 -0.20 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 3a17 h MET 246 Cb 0.39 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.92 3a17 h MET 246 CO 0.01 0.90 0.22 -0.44 1.07 0.00 0.00 176.91 178.67 3a17 h ASP 247 N 1.05 0.80 0.40 1.22 3.32 -0.54 -1.03 116.42 121.65 3a17 h ASP 247 Ca 0.24 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3a17 h ASP 247 Cb 0.24 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3a17 h ASP 247 CO -0.02 0.76 -0.32 0.15 -1.72 0.00 0.00 179.24 178.09 3a17 h PHE 248 N 0.80 -0.86 -0.76 4.55 3.57 -0.88 -0.31 116.94 123.05 3a17 h PHE 248 Ca 0.19 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3a17 h PHE 248 Cb 0.21 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 3a17 h PHE 248 CO 0.01 -0.47 0.50 -0.07 -2.23 0.00 0.00 178.31 176.05 3a17 h LEU 249 N -0.72 0.88 -0.64 0.59 3.38 -1.27 0.51 115.31 118.04 3a17 h LEU 249 Ca -0.03 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3a17 h LEU 249 Cb 0.63 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3a17 h LEU 249 CO -0.02 0.64 0.16 -0.09 0.09 0.00 0.00 178.44 179.22 3a17 h ARG 250 N 1.03 1.03 -0.01 1.13 2.43 -0.88 -2.55 114.38 116.56 3a17 h ARG 250 Ca 0.28 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a17 h ARG 250 Cb -0.11 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3a17 h ARG 250 CO -0.06 0.93 -0.57 -0.25 -1.51 0.00 0.00 179.97 178.51 3a17 n ASP 251 N -4.31 1.71 -1.13 -3.80 8.00 -0.15 -4.36 116.55 112.50 3a17 n ASP 251 Ca 0.04 -1.36 0.05 0.00 0.71 0.00 0.00 54.79 54.23 3a17 n ASP 251 Cb 0.25 0.60 0.08 0.00 -0.02 0.00 0.00 41.12 42.04 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 -0.38 1.22 -0.02 -2.24 3.02 0.17 -4.94 115.26 112.09 3a17 n ASN 252 Ca 0.08 -2.66 -0.12 0.00 -0.03 0.00 0.00 54.58 51.85 3a17 n ASN 252 Cb 0.41 -0.38 -0.08 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.94 -1.21 0.25 7.41 0.00 -1.63 -2.33 103.07 106.50 3a17 h GLY 253 Ca -0.14 0.69 0.20 0.00 0.00 0.00 0.00 47.33 48.09 3a17 h GLY 253 CO 0.06 -0.28 0.61 -2.55 0.00 0.00 0.00 176.54 174.38 3a17 h PRO 254 N -0.43 0.46 0.00 4.80 0.11 -1.89 -0.83 132.00 134.22 3a17 h PRO 254 Ca 0.03 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3a17 h PRO 254 Cb 0.52 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 3a17 h PRO 254 CO -0.36 0.31 -0.12 0.00 -0.21 0.00 0.00 178.00 177.62 3a17 h ALA 255 N 1.61 1.25 0.00 -0.75 0.00 -1.79 -3.22 119.26 116.37 3a17 h ALA 255 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a17 h ALA 255 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a17 h ALA 255 CO -0.22 0.15 0.00 1.33 0.00 0.00 0.00 179.25 180.51 3a17 n VAL 256 N -3.60 0.00 0.00 0.00 0.24 -0.86 -5.02 118.33 109.10 3a17 n VAL 256 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 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 0.49 1.15 3.39 7.63 0.00 -0.79 -4.75 105.19 112.32 3a17 n GLY 257 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 8.61 0.73 -1.99 0.00 0.05 -0.68 -3.35 116.97 120.34 3a17 h TYR 259 Ca -0.27 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.46 3a17 h TYR 259 Cb 1.11 -0.20 -0.21 0.00 1.01 0.00 0.00 36.73 38.44 3a17 h TYR 259 CO 0.59 0.72 -0.05 0.45 -1.05 0.00 0.00 178.16 178.82 3a17 s SER 260 N -6.70 -1.05 -0.10 3.88 0.15 -1.19 -4.65 113.70 104.05 3a17 s SER 260 Ca -0.09 1.54 0.03 0.00 0.70 0.00 0.00 55.95 58.13 3a17 s SER 260 Cb 0.15 1.86 -0.01 0.00 -1.71 0.00 0.00 66.02 66.31 3a17 s SER 260 CO 0.80 -0.23 -0.20 0.21 1.20 0.00 0.00 173.24 175.02 3a17 s ASN 261 N 2.29 3.43 -0.04 5.45 2.47 -1.26 -0.83 114.94 126.46 3a17 s ASN 261 Ca -0.08 -0.46 0.03 0.00 0.42 0.00 0.00 52.86 52.76 3a17 s ASN 261 Cb -0.09 -1.40 0.01 0.00 -1.45 0.00 0.00 41.25 38.32 3a17 s ASN 261 CO -0.19 0.18 -0.10 -0.13 -3.72 0.00 0.00 177.10 173.13 3a17 s ARG 262 N 0.26 1.18 -0.32 0.43 0.52 -0.20 -4.69 118.95 116.13 3a17 s ARG 262 Ca -0.14 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3a17 s ARG 262 Cb -0.17 -1.06 0.08 0.00 0.52 0.00 0.00 34.95 34.32 3a17 s ARG 262 CO 0.07 0.10 0.01 0.12 0.02 0.00 0.00 175.30 175.62 3a17 s PHE 263 N 0.31 3.51 0.18 -0.53 5.36 -1.26 -0.68 117.98 124.87 3a17 s PHE 263 Ca -0.06 -2.55 0.09 0.00 -0.96 0.00 0.00 56.93 53.46 3a17 s PHE 263 Cb -0.11 -2.51 -0.04 0.00 -0.34 0.00 0.00 43.02 40.02 3a17 s PHE 263 CO 0.01 -0.91 -0.13 0.14 -1.46 0.00 0.00 175.22 172.87 3a17 s VAL 264 N 1.05 3.00 -0.06 3.12 -7.23 -0.11 -4.78 120.40 115.39 3a17 s VAL 264 Ca 0.02 -1.72 0.05 0.00 -1.81 0.00 0.00 61.98 58.51 3a17 s VAL 264 Cb -0.20 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 3a17 s VAL 264 CO -0.06 -0.10 -0.21 -0.60 -0.31 0.00 0.00 175.10 173.82 3a17 s ARG 265 N -2.75 2.60 0.43 4.82 3.52 -0.58 -1.73 118.95 125.26 3a17 s ARG 265 Ca 0.24 -0.84 -0.25 0.00 -0.13 0.00 0.00 55.73 54.75 3a17 s ARG 265 Cb -0.09 -2.25 -0.08 0.00 -1.56 0.00 0.00 34.95 30.97 3a17 s ARG 265 CO 0.14 0.43 1.31 -0.80 -0.81 0.00 0.00 175.30 175.56 3a17 s ASN 266 N -0.26 6.11 0.25 -2.12 -0.87 -0.09 -0.52 114.94 117.45 3a17 s ASN 266 Ca -0.00 2.65 0.08 0.00 -1.57 0.00 0.00 52.86 54.02 3a17 s ASN 266 Cb -0.13 -2.64 -0.05 0.00 -0.02 0.00 0.00 41.25 38.41 3a17 s ASN 266 CO 0.03 -0.99 -0.12 0.27 -2.57 0.00 0.00 177.10 173.72 3a17 s ILE 267 N -1.30 1.87 0.84 0.60 -4.36 0.11 -0.12 121.20 118.84 3a17 s ILE 267 Ca 0.60 -2.22 -0.06 0.00 -0.26 0.00 0.00 60.65 58.71 3a17 s ILE 267 Cb -0.38 -2.27 0.17 0.00 1.25 0.00 0.00 42.46 41.24 3a17 s ILE 267 CO 0.48 -0.44 1.14 1.51 0.24 0.00 0.00 174.94 177.87 3a17 s ASP 268 N -3.41 3.71 0.58 4.36 1.47 -0.39 -4.47 116.67 118.52 3a17 s ASP 268 Ca 0.27 -0.24 0.28 0.00 1.18 0.00 0.00 52.55 54.04 3a17 s ASP 268 Cb 0.00 0.07 1.67 0.00 -0.34 0.00 0.00 42.92 44.32 3a17 s ASP 268 CO 0.11 -2.31 2.16 -0.29 0.68 0.00 0.00 175.17 175.51 3a17 h ILE 269 N -1.02 0.55 -0.02 2.11 6.09 -1.98 -1.09 117.51 122.15 3a17 h ILE 269 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 3a17 h ILE 269 Cb 1.24 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.44 3a17 h ILE 269 CO 0.36 0.00 -0.06 0.47 -3.07 0.00 0.00 178.15 175.85 3a17 n ASP 270 N -3.91 1.68 0.00 2.19 8.00 -1.26 -4.90 116.55 118.35 3a17 n ASP 270 Ca -0.00 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.01 3a17 n ASP 270 Cb 0.23 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.24 0.62 3.76 0.44 0.00 -0.41 -5.05 105.19 105.77 3a17 n GLY 271 Ca 0.17 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.24 7.47 0.26 1.61 0.01 -1.26 -4.82 114.94 115.98 3a17 s ASN 272 Ca 0.00 2.03 -0.29 0.00 -0.71 0.00 0.00 52.86 53.88 3a17 s ASN 272 Cb 0.00 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.96 3a17 s ASN 272 CO 0.00 0.02 1.25 -0.36 -1.51 0.00 0.00 177.10 176.50 3a17 s PHE 273 N -1.25 3.28 0.32 2.20 0.08 -1.26 -1.26 117.98 120.09 3a17 s PHE 273 Ca 0.44 1.43 0.08 0.00 0.12 0.00 0.00 56.93 58.99 3a17 s PHE 273 Cb -0.27 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.61 3a17 s PHE 273 CO 0.33 -1.48 0.20 -0.51 -0.10 0.00 0.00 175.22 173.66 3a17 s LEU 274 N -1.05 3.46 -0.40 -0.37 1.43 0.82 -4.89 118.68 117.69 3a17 s LEU 274 Ca 0.51 -0.59 -0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3a17 s LEU 274 Cb -0.36 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 43.92 3a17 s LEU 274 CO 0.44 -0.27 2.71 0.47 0.23 0.00 0.00 176.35 179.93 3a17 n ASP 275 N -1.23 6.38 -4.15 2.29 8.00 -1.26 -4.39 116.55 122.19 3a17 n ASP 275 Ca -0.03 -3.13 -0.17 0.00 0.71 0.00 0.00 54.79 52.17 3a17 n ASP 275 Cb 0.60 -1.22 -0.12 0.00 -0.02 0.00 0.00 41.12 40.36 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 -1.95 2.27 0.16 0.64 1.02 -1.26 -1.57 118.68 117.99 3a17 s LEU 276 Ca 0.55 -0.59 -0.08 0.00 0.02 0.00 0.00 54.13 54.03 3a17 s LEU 276 Cb 0.35 -0.45 -0.01 0.00 0.02 0.00 0.00 46.19 46.10 3a17 s LEU 276 CO -0.17 -0.09 0.25 -0.94 0.02 0.00 0.00 176.35 175.42 3a17 s SER 277 N -1.67 0.08 0.26 2.29 1.04 0.92 -0.91 113.70 115.71 3a17 s SER 277 Ca -0.03 -0.93 -0.21 0.00 0.48 0.00 0.00 55.95 55.26 3a17 s SER 277 Cb -0.10 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.46 3a17 s SER 277 CO 0.02 -0.87 0.69 -0.72 0.98 0.00 0.00 173.24 173.34 3a17 s TYR 278 N -3.98 -0.20 -0.10 5.02 1.13 -0.71 -0.16 117.35 118.35 3a17 s TYR 278 Ca 0.19 -0.23 -0.12 0.00 -1.41 0.00 0.00 57.07 55.50 3a17 s TYR 278 Cb 0.04 0.66 -0.05 0.00 -1.10 0.00 0.00 41.96 41.51 3a17 s TYR 278 CO 0.01 -1.18 0.28 1.21 -2.51 0.00 0.00 175.55 173.36 3a17 s ASN 279 N -2.91 6.53 -0.34 -0.18 3.04 0.55 -0.94 114.94 120.69 3a17 s ASN 279 Ca 0.10 0.63 -0.01 0.00 0.04 0.00 0.00 52.86 53.62 3a17 s ASN 279 Cb -0.05 -2.17 0.08 0.00 -1.54 0.00 0.00 41.25 37.57 3a17 s ASN 279 CO 0.05 0.26 0.07 -0.63 -3.04 0.00 0.00 177.10 173.81 3a17 s ILE 280 N -0.44 2.91 -0.11 -5.21 1.01 0.15 -2.21 121.20 117.31 3a17 s ILE 280 Ca 0.18 -1.80 0.02 0.00 0.00 0.00 0.00 60.65 59.04 3a17 s ILE 280 Cb -0.14 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3a17 s ILE 280 CO 0.07 -0.39 -0.17 -0.83 0.00 0.00 0.00 174.94 173.62 3a17 s GLY 281 N 1.38 1.10 -0.17 6.18 0.00 -0.67 -1.03 107.32 114.11 3a17 s GLY 281 Ca 0.02 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 3a17 s GLY 281 CO -0.04 0.17 0.20 0.30 0.00 0.00 0.00 173.10 173.73 3a17 s HIS 282 N 0.94 3.47 -0.01 1.90 3.76 -0.01 -1.47 115.29 123.87 3a17 s HIS 282 Ca -0.07 0.48 0.06 0.00 -0.15 0.00 0.00 55.06 55.38 3a17 s HIS 282 Cb -0.15 -2.19 -0.02 0.00 1.11 0.00 0.00 32.58 31.33 3a17 s HIS 282 CO -0.01 0.36 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.45 3a17 s TRP 283 N 0.11 1.83 0.52 1.40 0.52 0.06 0.04 118.94 123.42 3a17 s TRP 283 Ca 0.13 -0.35 0.37 0.00 0.02 0.00 0.00 56.10 56.27 3a17 s TRP 283 Cb -0.12 -1.17 1.98 0.00 -1.15 0.00 0.00 33.47 33.01 3a17 s TRP 283 CO 0.02 -0.02 2.24 0.00 0.02 0.00 0.00 176.95 179.20 3a17 h ALA 284 N 5.58 1.15 -2.82 0.98 0.00 -1.13 -1.06 119.26 121.95 3a17 h ALA 284 Ca -0.39 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3a17 h ALA 284 Cb 1.14 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 3a17 h ALA 284 CO 0.48 0.03 0.29 -1.54 0.00 0.00 0.00 179.25 178.50 3a17 s SER 285 N -5.61 -0.45 0.23 0.00 1.04 -1.26 -4.55 113.70 103.11 3a17 s SER 285 Ca -0.04 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.29 3a17 s SER 285 Cb 0.13 0.57 0.24 0.00 0.10 0.00 0.00 66.02 67.06 3a17 s SER 285 CO 0.49 -0.96 1.57 0.25 0.98 0.00 0.00 173.24 175.56 3a17 h LEU 286 N 2.00 0.36 -0.88 2.42 5.85 -1.82 -3.16 115.31 120.07 3a17 h LEU 286 Ca -0.28 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 3a17 h LEU 286 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 3a17 h LEU 286 CO 0.33 0.84 -0.35 -2.24 -0.34 0.00 0.00 178.44 176.69 3a17 h ASP 287 N 0.24 0.00 -0.22 1.25 2.03 -1.95 0.11 116.42 117.89 3a17 h ASP 287 Ca 0.00 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.24 3a17 h ASP 287 Cb 1.06 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 3a17 h ASP 287 CO 0.09 0.35 -0.10 1.56 -1.03 0.00 0.00 179.24 180.11 3a17 h GLN 288 N 0.00 0.46 -0.87 4.15 4.20 -1.89 0.18 115.11 121.33 3a17 h GLN 288 Ca -0.00 -0.20 0.09 0.00 0.06 0.00 0.00 58.65 58.60 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 0.73 0.53 1.25 -0.67 0.00 0.00 178.83 180.71 3a17 h LEU 289 N 0.17 0.79 -0.28 1.46 5.85 -1.44 0.08 115.31 121.93 3a17 h LEU 289 Ca 0.05 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.82 3a17 h LEU 289 Cb 0.58 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3a17 h LEU 289 CO 0.03 0.46 0.16 -0.33 -0.34 0.00 0.00 178.44 178.43 3a17 h GLU 290 N 0.90 0.33 -0.82 1.25 5.08 -0.55 -2.53 114.58 118.24 3a17 h GLU 290 Ca 0.41 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.73 3a17 h GLU 290 Cb 0.31 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 3a17 h GLU 290 CO -0.22 0.22 0.42 0.00 -1.00 0.00 0.00 179.01 178.42 3a17 h ARG 291 N 0.34 1.16 0.15 2.33 2.47 0.31 -2.55 114.38 118.59 3a17 h ARG 291 Ca 0.11 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.67 3a17 h ARG 291 Cb -0.01 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 3a17 h ARG 291 CO -0.05 0.87 -0.07 2.35 0.56 0.00 0.00 179.97 183.63 3a17 h TRP 292 N 1.14 -0.19 0.00 3.04 7.01 -0.96 -2.40 115.95 123.60 3a17 h TRP 292 Ca 0.28 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3a17 h TRP 292 Cb 0.08 0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3a17 h TRP 292 CO 0.01 0.11 -0.07 0.66 -2.79 0.00 0.00 178.44 176.36 3a17 h SER 293 N -0.50 0.00 0.20 2.65 4.64 -1.38 -0.12 113.55 119.04 3a17 h SER 293 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3a17 h SER 293 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3a17 h SER 293 CO 0.03 0.07 -0.86 -1.84 -0.87 0.00 0.00 176.83 173.36 3a17 n GLU 294 N -4.26 0.04 0.00 4.77 0.28 -0.97 -4.42 120.64 116.08 3a17 n GLU 294 Ca -0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 3a17 n GLU 294 Cb 0.15 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.51 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 -1.56 4.49 -4.72 -1.84 3.41 -0.91 -4.99 113.62 107.51 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 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.87 3.61 0.42 7.33 2.46 -0.10 -4.93 115.29 122.21 3a17 s HIS 296 Ca 0.00 1.58 0.12 0.00 0.47 0.00 0.00 55.06 57.24 3a17 s HIS 296 Cb 0.00 -3.24 0.98 0.00 -0.13 0.00 0.00 32.58 30.20 3a17 s HIS 296 CO 0.00 -0.50 1.98 -1.35 -2.47 0.00 0.00 174.74 172.40 3a17 h PRO 297 N 5.96 0.45 0.59 2.88 0.11 -1.96 -2.09 132.00 137.94 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 0.30 -0.29 1.79 -0.21 0.00 0.00 178.00 180.34 3a17 h THR 298 N 0.46 0.24 -0.94 -1.15 1.35 -1.92 -0.88 112.91 110.07 3a17 h THR 298 Ca 0.28 -0.35 0.05 0.00 -0.55 0.00 0.00 66.41 65.84 3a17 h THR 298 Cb 0.49 0.32 -0.06 0.00 -1.73 0.00 0.00 68.15 67.17 3a17 h THR 298 CO -0.08 0.03 0.60 -0.74 -0.25 0.00 0.00 175.52 175.09 3a17 h HIS 299 N -1.07 1.13 -0.68 4.73 -0.00 -1.86 -2.61 115.15 114.78 3a17 h HIS 299 Ca -0.08 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.32 3a17 h HIS 299 Cb 0.67 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 3a17 h HIS 299 CO 0.00 0.61 0.42 -0.07 -0.00 0.00 0.00 177.93 178.89 3a17 h LEU 300 N 1.13 0.81 -0.14 0.26 3.38 -1.24 0.29 115.31 119.80 3a17 h LEU 300 Ca 0.39 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.31 3a17 h LEU 300 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3a17 h LEU 300 CO -0.15 0.62 0.03 -0.09 0.09 0.00 0.00 178.44 178.94 3a17 h ARG 301 N 0.94 0.23 -0.22 1.13 2.43 -0.80 -2.30 114.38 115.79 3a17 h ARG 301 Ca 0.25 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 3a17 h ARG 301 Cb -0.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3a17 h ARG 301 CO -0.05 0.40 -0.44 -0.84 -1.51 0.00 0.00 179.97 177.53 3a17 h ILE 302 N 0.02 1.31 -0.34 1.20 3.07 -1.21 -0.41 117.51 121.15 3a17 h ILE 302 Ca 0.04 -1.63 0.07 0.00 1.55 0.00 0.00 64.86 64.90 3a17 h ILE 302 Cb 0.28 1.62 -0.07 0.00 -0.27 0.00 0.00 36.82 38.38 3a17 h ILE 302 CO 0.00 0.51 -0.15 0.15 -1.05 0.00 0.00 178.15 177.61 3a17 h PHE 303 N 0.44 -0.37 -0.44 0.16 3.57 -0.97 0.67 116.94 120.00 3a17 h PHE 303 Ca 0.03 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3a17 h PHE 303 Cb 0.95 0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3a17 h PHE 303 CO 0.04 -0.23 0.08 1.15 -2.23 0.00 0.00 178.31 177.12 3a17 h THR 304 N -0.10 1.24 -0.51 4.41 2.02 -1.13 -1.94 112.91 116.90 3a17 h THR 304 Ca 0.17 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.52 3a17 h THR 304 Cb 0.36 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3a17 h THR 304 CO -0.40 0.31 0.27 0.74 0.37 0.00 0.00 175.52 176.80 3a17 h THR 305 N 0.59 0.98 -0.13 3.16 2.02 -0.79 -1.60 112.91 117.15 3a17 h THR 305 Ca 0.13 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3a17 h THR 305 Cb 0.37 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3a17 h THR 305 CO 0.01 0.10 -0.04 0.15 0.37 0.00 0.00 175.52 176.10 3a17 h PHE 306 N 0.53 -0.09 -0.77 3.16 3.04 -0.57 0.16 116.94 122.40 3a17 h PHE 306 Ca 0.22 0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.33 3a17 h PHE 306 Cb 0.10 0.06 -0.10 0.00 2.56 0.00 0.00 35.95 38.58 3a17 h PHE 306 CO -0.09 -0.07 0.30 0.74 -2.02 0.00 0.00 178.31 177.17 3a17 h PHE 307 N -0.02 0.51 -0.44 0.41 -1.00 -1.07 0.24 116.94 115.57 3a17 h PHE 307 Ca 0.06 0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.78 3a17 h PHE 307 Cb 0.11 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3a17 h PHE 307 CO -0.18 0.05 -0.12 -0.09 -1.61 0.00 0.00 178.31 176.37 3a17 h ARG 308 N 0.43 0.80 -0.01 1.51 2.43 -0.57 -3.35 114.38 115.63 3a17 h ARG 308 Ca 0.43 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a17 h ARG 308 Cb 0.66 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 3a17 h ARG 308 CO -0.42 0.88 -0.10 1.33 -1.51 0.00 0.00 179.97 180.15 3a17 n VAL 309 N -4.16 0.00 -0.12 0.20 0.24 -0.02 -4.75 118.33 109.72 3a17 n VAL 309 Ca 0.01 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.82 3a17 n VAL 309 Cb 0.37 1.17 0.03 0.00 -1.47 0.00 0.00 33.84 33.95 3a17 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a17 h ALA 310 N 1.91 0.44 -0.24 2.33 0.00 -0.69 -2.16 119.26 120.85 3a17 h ALA 310 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3a17 h ALA 310 Cb 0.39 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3a17 h ALA 310 CO 0.00 -0.31 0.17 0.00 0.00 0.00 0.00 179.25 179.11 3a17 h ALA 311 N 1.30 2.19 -0.01 0.00 0.00 -1.85 -2.43 119.26 118.46 3a17 h ALA 311 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a17 h ALA 311 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3a17 h ALA 311 CO -0.25 -0.26 -0.33 0.41 0.00 0.00 0.00 179.25 178.82 3a17 n GLY 312 N -1.58 -0.33 3.71 0.00 0.00 -0.83 -4.92 105.19 101.25 3a17 n GLY 312 Ca 0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.47 4.36 -0.07 0.99 1.43 -0.92 -4.91 118.68 117.09 3a17 s LEU 313 Ca 0.23 2.30 -0.04 0.00 -1.03 0.00 0.00 54.13 55.60 3a17 s LEU 313 Cb 0.19 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3a17 s LEU 313 CO 0.53 -0.66 -0.09 -1.54 0.23 0.00 0.00 176.35 174.82 3a17 n SER 314 N 4.13 0.53 -0.00 2.29 3.41 -1.26 -4.90 113.62 117.82 3a17 n SER 314 Ca 0.12 0.09 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3a17 n SER 314 Cb 0.42 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 3a17 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a17 n LYS 315 N -3.31 1.19 -2.12 4.33 4.76 -1.26 -4.97 118.16 116.79 3a17 n LYS 315 Ca -0.14 -0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 54.82 3a17 n LYS 315 Cb 0.60 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.65 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 -3.27 4.34 -0.24 -0.35 2.96 -1.26 -4.63 118.68 116.24 3a17 s LEU 316 Ca -0.02 2.28 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 3a17 s LEU 316 Cb 0.05 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.21 3a17 s LEU 316 CO 0.32 -0.76 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.35 3a17 s ARG 317 N 2.22 2.73 0.02 1.98 0.52 0.17 -5.00 118.95 121.58 3a17 s ARG 317 Ca 0.67 -1.03 0.08 0.00 -0.52 0.00 0.00 55.73 54.93 3a17 s ARG 317 Cb -0.35 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 3a17 s ARG 317 CO 0.29 -0.40 -0.25 -0.51 0.02 0.00 0.00 175.30 174.46 3a17 s LEU 318 N 1.27 2.11 0.04 2.53 1.43 -1.26 -0.87 118.68 123.92 3a17 s LEU 318 Ca -0.01 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 3a17 s LEU 318 Cb -0.17 -1.22 0.09 0.00 0.03 0.00 0.00 46.19 44.93 3a17 s LEU 318 CO -0.06 0.26 0.82 -0.72 0.23 0.00 0.00 176.35 176.88 3a17 s TYR 319 N -0.70 -0.38 0.20 0.29 1.13 -1.13 -1.33 117.35 115.44 3a17 s TYR 319 Ca 0.10 0.22 -0.01 0.00 -1.41 0.00 0.00 57.07 55.96 3a17 s TYR 319 Cb -0.09 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.28 3a17 s TYR 319 CO 0.01 -0.63 0.13 -3.38 -2.51 0.00 0.00 175.55 169.16 3a17 s HIS 320 N -3.28 1.12 -0.02 -3.49 -3.43 0.03 -0.55 115.29 105.67 3a17 s HIS 320 Ca 0.04 -1.35 0.01 0.00 -0.80 0.00 0.00 55.06 52.96 3a17 s HIS 320 Cb -0.01 -0.54 0.01 0.00 -1.43 0.00 0.00 32.58 30.61 3a17 s HIS 320 CO -0.09 -0.64 -0.02 -1.83 -2.00 0.00 0.00 174.74 170.16 3a17 s GLU 321 N -4.15 0.32 0.02 -0.38 -1.05 0.72 -1.71 118.70 112.47 3a17 s GLU 321 Ca 0.37 -0.05 0.03 0.00 -0.15 0.00 0.00 54.97 55.18 3a17 s GLU 321 Cb 0.07 -0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.36 3a17 s GLU 321 CO 0.11 -0.02 -0.10 0.08 0.95 0.00 0.00 175.26 176.29 3a17 s VAL 322 N 0.40 0.74 0.04 1.83 1.01 -0.24 -0.57 120.40 123.61 3a17 s VAL 322 Ca -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.20 3a17 s VAL 322 Cb -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 3a17 s VAL 322 CO -0.01 -0.00 0.06 -0.44 0.00 0.00 0.00 175.10 174.71 3a17 s SER 323 N -0.78 0.24 0.07 3.32 0.01 -0.01 -1.23 113.70 115.33 3a17 s SER 323 Ca -0.00 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.67 3a17 s SER 323 Cb -0.06 0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.35 3a17 s SER 323 CO 0.00 -0.51 -0.09 0.68 0.41 0.00 0.00 173.24 173.73 3a17 s VAL 324 N -2.75 0.79 -0.00 3.43 -7.23 -0.55 -0.63 120.40 113.46 3a17 s VAL 324 Ca -0.04 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 3a17 s VAL 324 Cb -0.00 -1.06 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 3a17 s VAL 324 CO -0.05 -0.47 0.10 -0.36 -0.31 0.00 0.00 175.10 174.00 3a17 s PHE 325 N -1.98 0.06 0.73 2.82 0.40 -1.15 -4.56 117.98 114.31 3a17 s PHE 325 Ca -0.01 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 3a17 s PHE 325 Cb -0.06 -0.07 0.04 0.00 0.51 0.00 0.00 43.02 43.44 3a17 s PHE 325 CO -0.00 -0.23 1.23 -0.51 0.70 0.00 0.00 175.22 176.41 3a17 s ASP 326 N -1.16 4.15 0.24 1.36 1.11 -1.26 -0.22 116.67 120.89 3a17 s ASP 326 Ca -0.13 2.44 -0.05 0.00 0.18 0.00 0.00 52.55 54.99 3a17 s ASP 326 Cb -0.07 -2.60 0.47 0.00 1.07 0.00 0.00 42.92 41.79 3a17 s ASP 326 CO 0.01 -2.30 1.70 0.00 1.18 0.00 0.00 175.17 175.76 3a17 h ALA 327 N -0.22 0.99 0.00 5.23 0.00 -1.87 -1.71 119.26 121.69 3a17 h ALA 327 Ca -0.48 0.15 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 19.28 3a17 h ALA 327 CO 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3a17 h ALA 328 N 1.59 1.00 -0.63 0.00 0.00 -1.91 -3.02 119.26 116.28 3a17 h ALA 328 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 3a17 h ALA 328 Cb 0.69 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3a17 h ALA 328 CO -0.48 0.00 0.17 -0.25 0.00 0.00 0.00 179.25 178.69 3a17 n ASP 329 N -2.46 4.89 -4.03 0.00 8.00 -0.64 -4.88 116.55 117.42 3a17 n ASP 329 Ca 0.01 -3.02 -0.20 0.00 0.71 0.00 0.00 54.79 52.29 3a17 n ASP 329 Cb 0.23 -0.71 -0.15 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.72 0.97 -0.04 -1.24 -0.21 -1.14 -1.38 119.66 113.89 3a17 s GLN 330 Ca 0.51 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.51 3a17 s GLN 330 Cb 0.40 -0.91 0.03 0.00 1.00 0.00 0.00 33.01 33.52 3a17 s GLN 330 CO 0.13 0.18 0.04 -1.17 -2.12 0.00 0.00 175.29 172.35 3a17 s LEU 331 N -0.02 0.52 -0.28 2.90 0.20 0.20 -4.64 118.68 117.56 3a17 s LEU 331 Ca 0.00 0.04 0.00 0.00 0.69 0.00 0.00 54.13 54.86 3a17 s LEU 331 Cb -0.07 -0.17 0.08 0.00 -0.43 0.00 0.00 46.19 45.61 3a17 s LEU 331 CO 0.00 -0.20 0.04 -0.31 -0.29 0.00 0.00 176.35 175.59 3a17 s TYR 332 N 1.77 2.14 -0.09 5.38 2.02 -1.24 -0.51 117.35 126.83 3a17 s TYR 332 Ca 0.00 -1.84 0.02 0.00 -0.37 0.00 0.00 57.07 54.89 3a17 s TYR 332 Cb -0.12 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.63 3a17 s TYR 332 CO -0.03 -0.83 -0.16 -1.21 -1.57 0.00 0.00 175.55 171.75 3a17 s GLU 333 N 1.47 2.97 -0.08 -0.62 2.02 -0.26 -1.33 118.70 122.88 3a17 s GLU 333 Ca 0.04 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.32 3a17 s GLU 333 Cb -0.18 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.60 3a17 s GLU 333 CO -0.15 0.36 -0.11 0.71 0.02 0.00 0.00 175.26 176.08 3a17 s TYR 334 N -0.05 1.47 -0.23 1.61 2.02 -0.10 -0.49 117.35 121.57 3a17 s TYR 334 Ca -0.04 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3a17 s TYR 334 Cb -0.14 -1.10 0.03 0.00 -0.40 0.00 0.00 41.96 40.34 3a17 s TYR 334 CO 0.04 -0.32 -0.10 0.42 -1.57 0.00 0.00 175.55 174.01 3a17 s ILE 335 N 0.86 2.57 -1.36 2.71 1.01 0.25 -0.31 121.20 126.92 3a17 s ILE 335 Ca -0.11 -1.08 -0.05 0.00 0.00 0.00 0.00 60.65 59.41 3a17 s ILE 335 Cb -0.15 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.07 3a17 s ILE 335 CO 0.01 0.26 0.41 0.59 0.00 0.00 0.00 174.94 176.21 3a17 n ASN 336 N 4.62 -4.70 -4.91 3.58 3.02 -0.30 -0.41 115.26 116.16 3a17 n ASN 336 Ca -0.17 -0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 53.88 3a17 n ASN 336 Cb 0.47 -3.87 -0.03 0.00 -0.61 0.00 0.00 39.78 35.75 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 -2.18 2.83 0.38 0.00 -3.43 -1.26 -4.82 115.29 106.81 3a17 s HIS 338 Ca 0.44 1.54 0.19 0.00 -0.80 0.00 0.00 55.06 56.42 3a17 s HIS 338 Cb -0.10 -3.36 1.04 0.00 -1.43 0.00 0.00 32.58 28.72 3a17 s HIS 338 CO 0.32 -1.52 1.53 -1.35 -2.00 0.00 0.00 174.74 171.73 3a17 h PRO 339 N 1.84 0.00 -0.22 -0.38 0.11 -1.97 0.62 132.00 132.00 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 0.59 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 3a17 n GLY 340 N -1.27 0.56 3.63 -0.55 0.00 -1.26 -3.11 105.19 103.19 3a17 n GLY 340 Ca -0.01 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.71 4.12 0.00 2.61 2.01 0.21 -4.39 115.64 118.49 3a17 s THR 341 Ca 0.32 1.28 0.00 0.00 0.31 0.00 0.00 61.69 63.60 3a17 s THR 341 Cb 0.18 -4.11 0.00 0.00 0.01 0.00 0.00 72.50 68.58 3a17 s THR 341 CO 0.26 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 3a17 n GLY 342 N 4.27 3.12 0.00 4.40 0.00 -1.26 -1.03 105.19 114.69 3a17 n GLY 342 Ca 0.15 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.59 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 11.68 0.93 0.03 1.61 0.00 -1.26 -3.23 117.12 126.88 3a17 n MET 343 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.56 3a17 n MET 343 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 31.71 3a17 n MET 343 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3a17 h LEU 344 N 0.00 0.70 -0.49 4.03 3.38 -1.35 -3.24 115.31 118.35 3a17 h LEU 344 Ca 0.00 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.49 3a17 h LEU 344 Cb 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3a17 h LEU 344 CO 0.00 1.26 0.32 -0.09 0.09 0.00 0.00 178.44 180.02 3a17 h ARG 345 N 0.37 0.63 -0.23 1.13 2.43 -1.51 -3.13 114.38 114.07 3a17 h ARG 345 Ca -0.06 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a17 h ARG 345 Cb 1.43 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3a17 h ARG 345 CO 0.15 0.42 0.00 -0.25 -1.51 0.00 0.00 179.97 178.78 3a17 n ASP 346 N -4.75 2.86 -4.68 -3.80 8.00 -1.26 -4.97 116.55 107.94 3a17 n ASP 346 Ca 0.02 -1.84 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3a17 n ASP 346 Cb 0.03 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 s ALA 347 N -1.27 3.57 0.06 2.24 0.00 -1.18 -4.83 121.76 120.34 3a17 s ALA 347 Ca 0.27 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.70 3a17 s ALA 347 Cb 0.16 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3a17 s ALA 347 CO 0.23 -0.94 1.57 0.14 0.00 0.00 0.00 175.76 176.77 3a17 s VAL 348 N 2.58 3.20 0.53 0.00 -7.23 -0.01 -4.70 120.40 114.78 3a17 s VAL 348 Ca 0.62 0.66 -0.21 0.00 -1.81 0.00 0.00 61.98 61.23 3a17 s VAL 348 Cb -0.29 -3.42 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 3a17 s VAL 348 CO 0.24 0.00 1.20 -0.89 -0.31 0.00 0.00 175.10 175.35 3a17 s THR 349 N 2.45 2.81 -2.00 5.32 2.01 -1.26 -1.51 115.64 123.45 3a17 s THR 349 Ca 0.71 0.55 0.01 0.00 0.31 0.00 0.00 61.69 63.28 3a17 s THR 349 Cb -0.38 -3.25 0.04 0.00 0.01 0.00 0.00 72.50 68.92 3a17 s THR 349 CO 0.31 -0.06 0.58 -0.38 -0.69 0.00 0.00 174.62 174.38