#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a17 n GLY -7 N 0.00 -2.43 0.15 0.46 0.00 -1.26 -4.99 105.19 97.13 3a17 n GLY -7 Ca 0.00 -1.47 -0.21 0.00 0.00 0.00 0.00 46.02 44.35 3a17 n GLY -7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a17 h LEU -6 N 0.00 0.70 -7.39 0.99 5.85 -2.06 -3.41 115.31 109.99 3a17 h LEU -6 Ca -0.06 -0.84 -0.65 0.00 0.84 0.00 0.00 57.88 57.18 3a17 h LEU -6 Cb 0.19 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 40.60 3a17 h LEU -6 CO 0.04 1.46 -0.59 -0.69 -0.34 0.00 0.00 178.44 178.32 3a17 s VAL -5 N -2.92 2.74 0.49 1.05 1.01 -1.26 -5.10 120.40 116.41 3a17 s VAL -5 Ca -0.11 -3.33 -0.23 0.00 0.00 0.00 0.00 61.98 58.30 3a17 s VAL -5 Cb 0.04 -2.88 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 3a17 s VAL -5 CO 0.88 -0.82 1.30 -2.84 0.00 0.00 0.00 175.10 173.62 3a17 s PRO -4 N -0.33 3.52 0.26 2.72 0.02 -1.26 -5.03 135.00 134.91 3a17 s PRO -4 Ca 0.17 2.10 0.02 0.00 0.02 0.00 0.00 61.00 63.32 3a17 s PRO -4 Cb -0.24 -2.43 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 3a17 s PRO -4 CO -0.01 -0.84 0.18 1.03 -0.33 0.00 0.00 177.00 177.02 3a17 s ARG -3 N -2.68 1.46 7.06 5.54 0.52 -1.26 -4.58 118.95 125.00 3a17 s ARG -3 Ca 0.66 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 54.06 3a17 s ARG -3 Cb -0.37 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.27 3a17 s ARG -3 CO 0.45 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.71 3a17 n GLY -2 N -0.45 3.53 0.24 -3.53 0.00 -1.26 -1.74 105.19 101.98 3a17 n GLY -2 Ca 0.03 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 46.14 3a17 n GLY -2 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a17 h SER -1 N 0.00 0.00 1.12 1.61 4.64 -1.72 -2.90 113.55 116.30 3a17 h SER -1 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a17 h SER -1 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a17 h SER -1 CO 0.00 0.00 -0.10 1.41 -0.87 0.00 0.00 176.83 177.27 3a17 n HIS 0 N -2.94 0.40 -1.85 4.77 8.25 -0.71 -4.85 115.22 118.28 3a17 n HIS 0 Ca 0.01 0.12 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 3a17 n HIS 0 Cb 0.32 -0.66 0.04 0.00 1.12 0.00 0.00 29.99 30.82 3a17 n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3a17 s MET 1 N -3.05 2.93 0.62 -0.41 1.75 -1.10 -4.71 119.30 115.33 3a17 s MET 1 Ca 0.12 1.40 -0.17 0.00 -1.25 0.00 0.00 55.69 55.78 3a17 s MET 1 Cb 0.16 -1.97 -0.02 0.00 2.84 0.00 0.00 34.83 35.84 3a17 s MET 1 CO 0.59 -1.15 1.15 -1.21 -0.65 0.00 0.00 175.02 173.75 3a17 s GLU 2 N -3.99 2.90 0.17 4.11 2.02 -1.14 -4.82 118.70 117.94 3a17 s GLU 2 Ca 0.67 1.61 -0.07 0.00 0.02 0.00 0.00 54.97 57.20 3a17 s GLU 2 Cb -0.20 -1.94 -0.06 0.00 0.10 0.00 0.00 34.13 32.02 3a17 s GLU 2 CO 0.39 -1.21 0.45 0.45 0.02 0.00 0.00 175.26 175.35 3a17 s SER 3 N -2.03 6.56 0.44 -0.19 0.15 -1.26 -1.43 113.70 115.95 3a17 s SER 3 Ca 0.72 0.74 0.20 0.00 0.70 0.00 0.00 55.95 58.31 3a17 s SER 3 Cb -0.25 -2.15 1.02 0.00 -1.71 0.00 0.00 66.02 62.93 3a17 s SER 3 CO 0.36 0.02 1.92 0.00 1.20 0.00 0.00 173.24 176.74 3a17 h ALA 4 N 2.83 1.29 -2.43 5.45 0.00 -1.93 -3.43 119.26 121.04 3a17 h ALA 4 Ca -0.47 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 53.63 3a17 h ALA 4 Cb 1.17 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 4 CO 0.71 0.32 0.33 0.42 0.00 0.00 0.00 179.25 181.02 3a17 s ILE 5 N -4.10 4.91 0.46 0.00 1.01 -1.26 -4.98 121.20 117.23 3a17 s ILE 5 Ca -0.02 1.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.93 3a17 s ILE 5 Cb 0.13 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.41 3a17 s ILE 5 CO 0.66 0.04 0.88 0.61 0.00 0.00 0.00 174.94 177.14 3a17 n GLY 6 N 3.54 -0.55 0.11 6.18 0.00 -1.26 -4.81 105.19 108.40 3a17 n GLY 6 Ca 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 3a17 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a17 h GLU 7 N 1.15 0.08 0.00 1.61 4.81 -1.95 -0.67 114.58 119.61 3a17 h GLU 7 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3a17 h GLU 7 Cb 1.36 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3a17 h GLU 7 CO 0.54 0.05 0.00 -2.39 -0.73 0.00 0.00 179.01 176.48 3a17 n HIS 8 N -5.12 0.08 0.82 0.92 1.44 -1.26 -2.38 115.22 109.72 3a17 n HIS 8 Ca -0.02 0.03 0.09 0.00 -2.01 0.00 0.00 57.72 55.81 3a17 n HIS 8 Cb 0.10 -0.55 0.02 0.00 0.12 0.00 0.00 29.99 29.68 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 -1.57 2.01 -4.78 2.39 4.77 -0.29 -4.97 117.00 114.56 3a17 n LEU 9 Ca 0.03 -0.83 -0.38 0.00 -0.03 0.00 0.00 56.01 54.81 3a17 n LEU 9 Cb 0.16 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3a17 n LEU 9 CO 0.13 0.37 0.69 -1.10 -1.33 0.00 0.00 177.39 176.15 3a17 s GLN 10 N -1.98 4.52 0.34 3.23 -0.21 -1.00 -4.93 119.66 119.63 3a17 s GLN 10 Ca 0.17 1.44 -0.02 0.00 0.02 0.00 0.00 55.36 56.97 3a17 s GLN 10 Cb 0.15 -2.83 -0.00 0.00 1.00 0.00 0.00 33.01 31.33 3a17 s GLN 10 CO 0.41 0.20 0.46 0.00 -2.12 0.00 0.00 175.29 174.23 3a17 s PRO 12 N -3.11 4.19 0.26 0.00 0.02 -1.26 -4.98 135.00 130.12 3a17 s PRO 12 Ca 0.31 2.33 -0.29 0.00 0.02 0.00 0.00 61.00 63.36 3a17 s PRO 12 Cb -0.00 -3.73 -0.09 0.00 0.02 0.00 0.00 34.50 30.69 3a17 s PRO 12 CO 0.20 -0.78 1.18 1.03 -0.33 0.00 0.00 177.00 178.31 3a17 s ARG 13 N 3.10 4.53 -0.08 5.54 0.52 -1.26 -4.86 118.95 126.44 3a17 s ARG 13 Ca 0.75 1.93 0.14 0.00 -0.52 0.00 0.00 55.73 58.02 3a17 s ARG 13 Cb -0.39 -3.18 -0.20 0.00 0.52 0.00 0.00 34.95 31.70 3a17 s ARG 13 CO 0.33 0.02 0.18 0.25 0.02 0.00 0.00 175.30 176.10 3a17 n THR 14 N 1.54 0.50 -4.19 0.02 -2.24 0.38 -4.93 114.28 105.36 3a17 n THR 14 Ca 0.01 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 3a17 n THR 14 Cb 0.44 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.29 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 -4.57 3.08 0.57 3.22 1.43 -0.57 -5.00 118.68 116.84 3a17 s LEU 15 Ca -0.06 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3a17 s LEU 15 Cb 0.07 -1.76 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3a17 s LEU 15 CO 0.60 0.08 0.82 0.42 0.23 0.00 0.00 176.35 178.50 3a17 s THR 16 N 0.92 3.02 0.95 5.49 -4.23 -1.26 -4.68 115.64 115.84 3a17 s THR 16 Ca -0.00 -0.45 -0.13 0.00 -1.18 0.00 0.00 61.69 59.93 3a17 s THR 16 Cb -0.15 -3.17 0.16 0.00 1.34 0.00 0.00 72.50 70.68 3a17 s THR 16 CO 0.01 -0.14 1.13 -0.13 -0.54 0.00 0.00 174.62 174.95 3a17 s ARG 17 N -4.85 0.85 0.00 3.99 0.52 -1.26 -5.00 118.95 113.20 3a17 s ARG 17 Ca 0.55 0.32 0.23 0.00 -0.52 0.00 0.00 55.73 56.32 3a17 s ARG 17 Cb -0.10 -1.80 0.44 0.00 0.52 0.00 0.00 34.95 34.00 3a17 s ARG 17 CO 0.41 -2.40 1.41 2.89 0.02 0.00 0.00 175.30 177.63 3a17 n ARG 18 N -3.91 2.54 -4.25 3.54 1.85 -1.26 -4.93 116.66 110.24 3a17 n ARG 18 Ca 0.06 -2.33 -0.20 0.00 -1.00 0.00 0.00 57.85 54.38 3a17 n ARG 18 Cb 0.59 -1.52 -0.12 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.47 1.28 0.93 8.89 -7.23 -1.26 -5.15 120.40 116.39 3a17 s VAL 19 Ca 0.40 -1.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 3a17 s VAL 19 Cb 0.23 -1.20 0.15 0.00 0.56 0.00 0.00 36.38 36.13 3a17 s VAL 19 CO 0.32 -0.13 1.12 -2.16 -0.31 0.00 0.00 175.10 173.95 3a17 s PRO 20 N -1.66 0.93 0.29 4.82 0.04 -1.26 -4.91 135.00 133.25 3a17 s PRO 20 Ca 0.01 1.38 0.24 0.00 0.04 0.00 0.00 61.00 62.67 3a17 s PRO 20 Cb -0.10 -1.73 1.05 0.00 0.04 0.00 0.00 34.50 33.77 3a17 s PRO 20 CO 0.03 -2.63 1.73 -0.44 0.04 0.00 0.00 177.00 175.72 3a17 h ASP 21 N -1.86 0.00 0.63 6.66 3.32 -2.01 -2.16 116.42 120.99 3a17 h ASP 21 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3a17 h ASP 21 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3a17 h ASP 21 CO 0.44 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.31 3a17 n THR 22 N -2.31 0.01 -1.54 0.35 -2.24 -1.26 -2.07 114.28 105.22 3a17 n THR 22 Ca 0.01 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.35 3a17 n THR 22 Cb 0.20 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.32 0.79 -4.41 4.78 9.36 -0.82 -4.47 117.16 121.07 3a17 n TYR 23 Ca 0.13 0.76 -0.26 0.00 3.32 0.00 0.00 57.90 61.85 3a17 n TYR 23 Cb 0.25 -2.17 -0.17 0.00 -0.63 0.00 0.00 39.34 36.63 3a17 n TYR 23 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3a17 s THR 24 N -1.07 1.20 0.43 2.97 -4.23 -1.26 -4.18 115.64 109.50 3a17 s THR 24 Ca 0.60 -0.48 -0.25 0.00 -1.18 0.00 0.00 61.69 60.38 3a17 s THR 24 Cb -0.75 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 71.89 3a17 s THR 24 CO 0.59 0.38 1.23 -2.84 -0.54 0.00 0.00 174.62 173.44 3a17 s PRO 25 N 0.96 3.89 0.10 3.99 0.02 -1.26 -4.92 135.00 137.78 3a17 s PRO 25 Ca -0.09 1.96 0.25 0.00 0.02 0.00 0.00 61.00 63.14 3a17 s PRO 25 Cb -0.15 -2.61 0.96 0.00 0.02 0.00 0.00 34.50 32.72 3a17 s PRO 25 CO -0.00 -0.50 1.77 -0.35 -0.33 0.00 0.00 177.00 177.59 3a17 n PRO 26 N -0.11 0.11 -3.68 5.54 -0.04 -1.26 -4.79 135.00 130.77 3a17 n PRO 26 Ca 0.05 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 3a17 n PRO 26 Cb 0.46 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 3a17 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a17 s PHE 27 N -3.08 -0.26 0.30 0.54 -0.12 -1.26 -5.04 117.98 109.06 3a17 s PHE 27 Ca 0.10 0.25 -0.28 0.00 -0.05 0.00 0.00 56.93 56.95 3a17 s PHE 27 Cb 0.14 0.20 -0.09 0.00 -0.63 0.00 0.00 43.02 42.64 3a17 s PHE 27 CO 0.48 -0.55 1.10 -1.25 -0.05 0.00 0.00 175.22 174.95 3a17 s PRO 28 N -2.28 4.54 0.16 1.99 0.04 -1.26 -5.02 135.00 133.17 3a17 s PRO 28 Ca -0.07 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3a17 s PRO 28 Cb -0.01 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3a17 s PRO 28 CO -0.01 0.13 -0.01 -1.64 0.04 0.00 0.00 177.00 175.51 3a17 s MET 29 N -1.64 1.06 0.14 4.56 -1.94 -1.26 -4.90 119.30 115.32 3a17 s MET 29 Ca 0.47 -1.50 0.03 0.00 -1.71 0.00 0.00 55.69 52.98 3a17 s MET 29 Cb -0.31 -0.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 3a17 s MET 29 CO 0.39 -0.11 -0.06 -1.58 -0.01 0.00 0.00 175.02 173.66 3a17 s TRP 30 N -3.65 1.14 0.12 -0.03 0.51 0.01 -2.35 118.94 114.69 3a17 s TRP 30 Ca 0.22 -0.89 0.04 0.00 -2.12 0.00 0.00 56.10 53.35 3a17 s TRP 30 Cb 0.06 -0.63 -0.04 0.00 -0.81 0.00 0.00 33.47 32.05 3a17 s TRP 30 CO 0.02 -0.08 -0.09 0.14 -0.51 0.00 0.00 176.95 176.43 3a17 s VAL 31 N -3.52 0.99 0.35 4.03 -7.23 -1.26 0.02 120.40 113.79 3a17 s VAL 31 Ca 0.17 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3a17 s VAL 31 Cb 0.05 -1.64 -0.11 0.00 0.56 0.00 0.00 36.38 35.24 3a17 s VAL 31 CO -0.00 -0.70 1.49 -0.83 -0.31 0.00 0.00 175.10 174.75 3a17 s GLY 32 N -2.88 2.77 0.01 2.32 0.00 -1.26 -1.09 107.32 107.19 3a17 s GLY 32 Ca 0.12 1.55 0.05 0.00 0.00 0.00 0.00 44.72 46.43 3a17 s GLY 32 CO -0.01 2.29 -0.14 0.50 0.00 0.00 0.00 173.10 175.75 3a17 s ARG 33 N -1.72 2.30 -0.25 2.90 1.81 0.90 -4.80 118.95 120.08 3a17 s ARG 33 Ca 0.55 -0.85 -0.23 0.00 -1.72 0.00 0.00 55.73 53.47 3a17 s ARG 33 Cb -0.46 -2.32 0.06 0.00 -0.45 0.00 0.00 34.95 31.79 3a17 s ARG 33 CO 0.59 0.57 0.67 0.00 -0.68 0.00 0.00 175.30 176.45 3a17 s ALA 34 N -0.91 -1.65 0.99 2.13 0.00 -1.26 -0.59 121.76 120.47 3a17 s ALA 34 Ca 0.15 1.88 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 3a17 s ALA 34 Cb -0.11 -1.09 0.14 0.00 0.00 0.00 0.00 23.12 22.06 3a17 s ALA 34 CO 0.05 -0.32 0.83 -0.40 0.00 0.00 0.00 175.76 175.93 3a17 n ASP 35 N 2.72 0.08 0.00 0.00 5.68 -1.26 -4.91 116.55 118.86 3a17 n ASP 35 Ca -0.14 -1.31 0.05 0.00 -0.50 0.00 0.00 54.79 52.89 3a17 n ASP 35 Cb 0.55 -0.63 0.25 0.00 -1.14 0.00 0.00 41.12 40.15 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 -3.53 0.00 -0.19 -1.12 5.68 -1.26 -2.14 116.55 114.00 3a17 n ASP 36 Ca 0.10 0.22 -0.04 0.00 -0.50 0.00 0.00 54.79 54.57 3a17 n ASP 36 Cb 0.36 -0.33 0.14 0.00 -1.14 0.00 0.00 41.12 40.15 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 2.46 1.13 -1.98 2.12 0.00 -2.01 -3.39 119.26 117.59 3a17 h ALA 37 Ca 0.00 -0.21 -0.57 0.00 0.00 0.00 0.00 54.91 54.13 3a17 h ALA 37 Cb 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3a17 h ALA 37 CO 0.00 0.59 0.86 -1.17 0.00 0.00 0.00 179.25 179.53 3a17 s LEU 38 N -9.45 3.96 0.00 0.00 2.96 -0.91 -4.85 118.68 110.39 3a17 s LEU 38 Ca -0.11 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3a17 s LEU 38 Cb 0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.30 3a17 s LEU 38 CO 0.82 -0.87 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 3a17 n GLN 39 N 6.85 2.08 -3.64 1.98 6.02 -1.26 -4.75 117.38 124.66 3a17 n GLN 39 Ca 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.07 3a17 n GLN 39 Cb 0.47 -0.99 -0.06 0.00 1.02 0.00 0.00 30.24 30.68 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 -1.97 0.63 0.27 -1.09 0.74 -1.26 -0.94 119.66 116.04 3a17 s GLN 40 Ca 0.00 1.25 0.06 0.00 0.05 0.00 0.00 55.36 56.72 3a17 s GLN 40 Cb 0.00 0.39 -0.03 0.00 1.10 0.00 0.00 33.01 34.47 3a17 s GLN 40 CO 0.00 -0.16 0.35 0.14 -0.55 0.00 0.00 175.29 175.07 3a17 s VAL 41 N 2.06 4.71 -0.16 1.34 -7.23 -0.84 -3.67 120.40 116.61 3a17 s VAL 41 Ca -0.08 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.00 3a17 s VAL 41 Cb -0.07 -3.62 0.02 0.00 0.56 0.00 0.00 36.38 33.27 3a17 s VAL 41 CO -0.19 -0.28 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.43 3a17 s VAL 42 N -2.08 1.93 -0.44 1.32 1.01 -1.02 -3.39 120.40 117.73 3a17 s VAL 42 Ca 0.37 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 3a17 s VAL 42 Cb -0.09 -1.74 0.08 0.00 0.00 0.00 0.00 36.38 34.64 3a17 s VAL 42 CO 0.28 0.52 0.32 -0.04 0.00 0.00 0.00 175.10 176.18 3a17 s MET 43 N 1.16 2.72 -0.44 2.72 -1.94 0.01 -0.88 119.30 122.65 3a17 s MET 43 Ca 0.00 -1.46 -0.11 0.00 -1.71 0.00 0.00 55.69 52.41 3a17 s MET 43 Cb -0.14 -3.92 0.08 0.00 2.01 0.00 0.00 34.83 32.87 3a17 s MET 43 CO -0.08 -1.01 0.31 0.20 -0.01 0.00 0.00 175.02 174.43 3a17 s GLY 44 N 2.37 2.00 -0.45 -0.03 0.00 0.21 -1.51 107.32 109.92 3a17 s GLY 44 Ca 0.04 -2.19 -0.21 0.00 0.00 0.00 0.00 44.72 42.36 3a17 s GLY 44 CO 0.03 1.01 0.66 -0.19 0.00 0.00 0.00 173.10 174.61 3a17 s TYR 45 N 1.49 3.05 -0.20 1.90 1.51 -0.31 -0.57 117.35 124.22 3a17 s TYR 45 Ca 0.04 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 55.95 3a17 s TYR 45 Cb -0.24 -3.40 -0.02 0.00 -0.11 0.00 0.00 41.96 38.19 3a17 s TYR 45 CO 0.03 -0.91 -0.01 -0.51 -1.11 0.00 0.00 175.55 173.04 3a17 s LEU 46 N 2.85 3.20 0.12 -1.29 1.02 0.28 -0.39 118.68 124.48 3a17 s LEU 46 Ca 0.22 -0.22 0.10 0.00 0.02 0.00 0.00 54.13 54.25 3a17 s LEU 46 Cb -0.14 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 3a17 s LEU 46 CO 0.18 0.07 -0.22 -0.83 0.02 0.00 0.00 176.35 175.57 3a17 s GLY 47 N 0.97 1.62 -0.07 -3.19 0.00 0.12 -0.25 107.32 106.53 3a17 s GLY 47 Ca 0.01 -1.39 0.03 0.00 0.00 0.00 0.00 44.72 43.37 3a17 s GLY 47 CO 0.01 -1.36 -0.16 0.14 0.00 0.00 0.00 173.10 171.73 3a17 s VAL 48 N -1.08 1.43 -0.03 1.40 1.01 0.31 -2.01 120.40 121.43 3a17 s VAL 48 Ca 0.16 -0.67 0.06 0.00 0.00 0.00 0.00 61.98 61.53 3a17 s VAL 48 Cb -0.10 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3a17 s VAL 48 CO 0.08 0.42 -0.22 -1.58 0.00 0.00 0.00 175.10 173.80 3a17 s GLN 49 N 0.46 1.95 0.15 2.72 0.74 0.24 -0.42 119.66 125.50 3a17 s GLN 49 Ca -0.14 -0.78 -0.14 0.00 0.05 0.00 0.00 55.36 54.35 3a17 s GLN 49 Cb -0.16 -1.79 0.02 0.00 1.10 0.00 0.00 33.01 32.19 3a17 s GLN 49 CO 0.05 0.41 0.39 -0.59 -0.55 0.00 0.00 175.29 175.00 3a17 s PHE 50 N -0.33 -0.01 0.00 1.67 -0.71 -0.17 -0.18 117.98 118.24 3a17 s PHE 50 Ca 0.03 -0.34 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 3a17 s PHE 50 Cb -0.10 0.20 0.00 0.00 -1.21 0.00 0.00 43.02 41.91 3a17 s PHE 50 CO 0.01 -0.76 0.00 -2.13 -1.34 0.00 0.00 175.22 171.00 3a17 n ARG 51 N -0.24 2.72 -3.63 1.99 0.63 -1.26 0.12 116.66 116.97 3a17 n ARG 51 Ca -0.12 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.46 3a17 n ARG 51 Cb 0.63 -0.90 -0.05 0.00 0.45 0.00 0.00 32.46 32.58 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 -2.79 6.60 0.29 6.15 1.01 -1.26 -4.85 116.67 121.83 3a17 s ASP 52 Ca 0.00 0.72 0.04 0.00 0.71 0.00 0.00 52.55 54.02 3a17 s ASP 52 Cb 0.00 -2.15 0.64 0.00 1.01 0.00 0.00 42.92 42.42 3a17 s ASP 52 CO 0.00 0.21 1.81 -0.33 0.21 0.00 0.00 175.17 177.07 3a17 h GLU 53 N 3.88 0.86 0.00 8.23 4.39 -2.02 -2.08 114.58 127.85 3a17 h GLU 53 Ca -0.50 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3a17 h GLU 53 Cb 1.20 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3a17 h GLU 53 CO 0.66 0.57 0.00 -0.40 -1.16 0.00 0.00 179.01 178.68 3a17 n ASP 54 N -4.68 0.00 -0.11 1.42 5.68 -1.26 -2.99 116.55 114.62 3a17 n ASP 54 Ca 0.21 -1.38 0.11 0.00 -0.50 0.00 0.00 54.79 53.23 3a17 n ASP 54 Cb 0.45 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.76 0.28 -0.02 0.11 6.02 -0.78 -4.59 117.38 117.64 3a17 n GLN 55 Ca 0.11 -0.21 -0.09 0.00 -0.01 0.00 0.00 57.00 56.80 3a17 n GLN 55 Cb 0.05 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.78 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 0.52 -0.00 -0.53 -1.09 2.43 -1.69 0.20 114.38 114.21 3a17 h ARG 56 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a17 h ARG 56 Cb 0.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3a17 h ARG 56 CO 0.00 -0.00 0.23 -1.35 -1.51 0.00 0.00 179.97 177.33 3a17 h PRO 57 N -0.00 0.76 -0.17 0.20 0.11 -1.85 0.43 132.00 131.47 3a17 h PRO 57 Ca 0.07 -0.10 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 3a17 h PRO 57 Cb 0.11 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3a17 h PRO 57 CO -0.15 0.61 -0.41 0.00 -0.21 0.00 0.00 178.00 177.84 3a17 h ALA 58 N 1.50 0.98 -0.05 -0.75 0.00 -1.73 -1.66 119.26 117.55 3a17 h ALA 58 Ca 0.18 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 3a17 h ALA 58 Cb 0.12 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a17 h ALA 58 CO -0.02 0.62 -0.51 0.00 0.00 0.00 0.00 179.25 179.34 3a17 h ALA 59 N 1.24 0.12 -0.33 0.00 0.00 0.10 -2.50 119.26 117.89 3a17 h ALA 59 Ca 0.03 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3a17 h ALA 59 Cb 0.87 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3a17 h ALA 59 CO 0.07 0.33 0.03 -0.07 0.00 0.00 0.00 179.25 179.61 3a17 h LEU 60 N -0.05 0.46 -0.15 0.00 3.38 -0.17 -1.58 115.31 117.20 3a17 h LEU 60 Ca -0.05 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3a17 h LEU 60 Cb 1.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3a17 h LEU 60 CO 0.10 0.51 -0.36 -0.61 0.09 0.00 0.00 178.44 178.17 3a17 h GLN 61 N 0.49 0.51 -0.61 1.13 5.75 -1.36 -1.56 115.11 119.45 3a17 h GLN 61 Ca 0.11 -0.35 0.03 0.00 -0.15 0.00 0.00 58.65 58.30 3a17 h GLN 61 Cb 0.26 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 3a17 h GLN 61 CO 0.00 0.96 0.40 0.00 -2.65 0.00 0.00 178.83 177.55 3a17 h ALA 62 N 0.55 1.67 -0.17 3.38 0.00 -1.22 -1.27 119.26 122.20 3a17 h ALA 62 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3a17 h ALA 62 Cb 0.96 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3a17 h ALA 62 CO 0.08 0.26 -0.08 1.98 0.00 0.00 0.00 179.25 181.49 3a17 h MET 63 N 0.72 0.35 -0.80 0.00 1.85 -1.24 -2.58 114.93 113.24 3a17 h MET 63 Ca 0.24 -0.15 0.12 0.00 -0.61 0.00 0.00 59.70 59.30 3a17 h MET 63 Cb 0.08 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.04 3a17 h MET 63 CO -0.07 0.66 0.52 0.00 -0.40 0.00 0.00 176.91 177.62 3a17 h ARG 64 N 0.03 0.62 -0.15 0.39 3.08 -0.73 -1.07 114.38 116.55 3a17 h ARG 64 Ca 0.04 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3a17 h ARG 64 Cb 0.55 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3a17 h ARG 64 CO 0.02 0.41 -0.23 -0.44 -1.07 0.00 0.00 179.97 178.66 3a17 h ASP 65 N 0.63 0.46 -0.64 7.04 3.32 -1.18 0.97 116.42 127.02 3a17 h ASP 65 Ca 0.38 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3a17 h ASP 65 Cb 0.60 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3a17 h ASP 65 CO -0.15 0.90 0.35 0.40 -1.72 0.00 0.00 179.24 179.02 3a17 h ILE 66 N 0.04 1.20 -0.33 0.35 2.04 -1.11 -0.55 117.51 119.15 3a17 h ILE 66 Ca 0.01 -0.52 -0.18 0.00 1.00 0.00 0.00 64.86 65.18 3a17 h ILE 66 Cb 0.80 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3a17 h ILE 66 CO 0.05 0.23 -0.49 0.58 0.00 0.00 0.00 178.15 178.52 3a17 h VAL 67 N 0.93 1.27 -0.75 1.67 2.07 -1.13 -2.97 116.25 117.33 3a17 h VAL 67 Ca 0.23 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3a17 h VAL 67 Cb 0.04 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3a17 h VAL 67 CO -0.04 0.55 0.49 0.00 0.02 0.00 0.00 177.57 178.60 3a17 h ALA 68 N 0.72 1.45 0.00 1.67 0.00 -0.44 -1.07 119.26 121.59 3a17 h ALA 68 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a17 h ALA 68 Cb 1.10 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3a17 h ALA 68 CO 0.11 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.65 3a17 h GLY 69 N 1.03 0.00 2.00 0.00 0.00 -0.95 -1.15 103.07 104.01 3a17 h GLY 69 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3a17 h GLY 69 CO -0.06 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.22 3a17 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.14 -3.06 116.94 118.37 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 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3a17 h PHE 70 CO 0.00 0.00 0.00 -0.44 -0.60 0.00 0.00 178.31 177.27 3a17 h ASP 71 N 0.00 0.00 -4.04 2.17 3.32 -1.28 -3.41 116.42 113.19 3a17 h ASP 71 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3a17 h ASP 71 Cb 0.86 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.57 3a17 h ASP 71 CO 0.00 0.00 0.23 -0.76 -1.72 0.00 0.00 179.24 176.99 3a17 s LEU 72 N -5.58 2.20 0.47 1.55 1.43 -1.16 -4.95 118.68 112.64 3a17 s LEU 72 Ca 0.04 1.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.43 3a17 s LEU 72 Cb 0.09 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 3a17 s LEU 72 CO 0.54 -2.76 1.23 -2.65 0.23 0.00 0.00 176.35 172.94 3a17 n PRO 73 N -3.96 1.71 -1.87 1.29 -0.02 -1.26 -2.74 135.00 128.14 3a17 n PRO 73 Ca 0.07 0.62 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3a17 n PRO 73 Cb 0.55 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.16 -4.69 -4.59 2.55 8.00 -1.26 -4.78 116.55 111.63 3a17 n ASP 74 Ca 0.08 0.18 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 3a17 n ASP 74 Cb 0.42 -3.68 0.18 0.00 -0.02 0.00 0.00 41.12 38.02 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 -2.58 1.57 0.42 0.44 0.00 -1.11 -4.51 107.32 101.55 3a17 s GLY 75 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.97 3a17 s GLY 75 CO 0.00 0.14 1.15 2.56 0.00 0.00 0.00 173.10 176.95 3a17 s PRO 76 N -5.10 3.99 0.56 2.90 0.04 -1.26 -4.93 135.00 131.19 3a17 s PRO 76 Ca 0.66 1.77 0.34 0.00 0.04 0.00 0.00 61.00 63.81 3a17 s PRO 76 Cb -0.16 -2.58 1.56 0.00 0.04 0.00 0.00 34.50 33.36 3a17 s PRO 76 CO 0.56 -0.36 2.06 0.00 0.04 0.00 0.00 177.00 179.31 3a17 h ALA 77 N 2.45 1.05 -2.37 8.56 0.00 -1.24 -3.45 119.26 124.26 3a17 h ALA 77 Ca -0.49 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3a17 h ALA 77 Cb 1.24 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.83 3a17 h ALA 77 CO 0.62 0.06 -0.08 -1.58 0.00 0.00 0.00 179.25 178.26 3a17 s HIS 78 N -3.85 -0.35 0.15 0.00 5.65 -1.21 -4.96 115.29 110.72 3a17 s HIS 78 Ca -0.01 0.51 -0.16 0.00 0.25 0.00 0.00 55.06 55.65 3a17 s HIS 78 Cb 0.11 0.23 0.03 0.00 -1.18 0.00 0.00 32.58 31.77 3a17 s HIS 78 CO 0.53 -0.52 0.43 -3.38 -0.65 0.00 0.00 174.74 171.16 3a17 s HIS 79 N -1.66 -0.13 0.01 3.88 -0.00 -1.26 -1.32 115.29 114.80 3a17 s HIS 79 Ca -0.10 -0.20 -0.25 0.00 -0.00 0.00 0.00 55.06 54.51 3a17 s HIS 79 Cb -0.02 0.28 0.06 0.00 -0.00 0.00 0.00 32.58 32.89 3a17 s HIS 79 CO 0.04 -0.77 0.57 0.16 -0.00 0.00 0.00 174.74 174.73 3a17 s ASP 80 N -2.84 -0.51 -0.04 7.38 1.47 -1.00 -5.00 116.67 116.13 3a17 s ASP 80 Ca 0.06 0.38 0.04 0.00 1.18 0.00 0.00 52.55 54.21 3a17 s ASP 80 Cb 0.01 0.50 -0.03 0.00 -0.34 0.00 0.00 42.92 43.06 3a17 s ASP 80 CO -0.08 -0.66 -0.14 -0.76 0.68 0.00 0.00 175.17 174.21 3a17 s LEU 81 N -1.62 2.78 0.10 2.11 1.43 -1.26 -1.88 118.68 120.35 3a17 s LEU 81 Ca -0.08 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3a17 s LEU 81 Cb -0.01 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3a17 s LEU 81 CO 0.03 0.33 -0.05 0.42 0.23 0.00 0.00 176.35 177.31 3a17 s THR 82 N -0.78 0.65 0.01 5.49 -4.23 0.13 -0.76 115.64 116.15 3a17 s THR 82 Ca 0.12 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 3a17 s THR 82 Cb -0.11 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 3a17 s THR 82 CO 0.02 -0.83 -0.15 -2.28 -0.54 0.00 0.00 174.62 170.84 3a17 s HIS 83 N -3.66 1.30 -0.07 3.99 5.04 0.40 -0.54 115.29 121.75 3a17 s HIS 83 Ca 0.13 -0.30 -0.29 0.00 -1.54 0.00 0.00 55.06 53.06 3a17 s HIS 83 Cb 0.06 -0.80 0.07 0.00 0.04 0.00 0.00 32.58 31.94 3a17 s HIS 83 CO -0.04 0.01 0.66 -3.38 -2.34 0.00 0.00 174.74 169.66 3a17 s HIS 84 N -0.58 -0.65 -0.24 3.88 -3.43 -0.42 -1.60 115.29 112.24 3a17 s HIS 84 Ca 0.04 1.18 -0.12 0.00 -0.80 0.00 0.00 55.06 55.36 3a17 s HIS 84 Cb -0.07 0.38 -0.05 0.00 -1.43 0.00 0.00 32.58 31.41 3a17 s HIS 84 CO 0.00 -0.57 0.21 0.42 -2.00 0.00 0.00 174.74 172.80 3a17 s ILE 85 N -1.01 5.32 0.91 -5.38 1.01 -1.26 -0.04 121.20 120.76 3a17 s ILE 85 Ca -0.10 0.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.68 3a17 s ILE 85 Cb -0.01 -3.55 0.17 0.00 0.01 0.00 0.00 42.46 39.08 3a17 s ILE 85 CO 0.09 0.31 1.27 1.51 0.00 0.00 0.00 174.94 178.12 3a17 s ASP 86 N 1.20 3.51 0.00 3.58 1.47 -0.43 -4.92 116.67 121.08 3a17 s ASP 86 Ca 0.09 0.37 0.15 0.00 1.18 0.00 0.00 52.55 54.34 3a17 s ASP 86 Cb -0.14 -0.54 0.85 0.00 -0.34 0.00 0.00 42.92 42.75 3a17 s ASP 86 CO 0.06 -2.49 1.36 -0.46 0.68 0.00 0.00 175.17 174.32 3a17 n ASN 87 N -3.61 0.00 -1.04 2.11 0.23 -1.26 -1.60 115.26 110.08 3a17 n ASN 87 Ca 0.13 -0.28 0.11 0.00 -0.53 0.00 0.00 54.58 54.02 3a17 n ASN 87 Cb 0.60 -0.10 0.17 0.00 -2.08 0.00 0.00 39.78 38.36 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 -1.10 2.34 -0.77 -3.83 1.13 -1.26 -4.96 117.38 108.93 3a17 n GLN 88 Ca 0.10 -2.12 0.00 0.00 -1.94 0.00 0.00 57.00 53.04 3a17 n GLN 88 Cb 0.08 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.96 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 1.12 3.75 1.08 0.00 -0.63 -5.03 105.19 106.85 3a17 n GLY 89 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.63 3.78 0.05 1.61 1.51 -1.26 -4.82 117.35 114.58 3a17 s TYR 90 Ca 0.00 1.79 -0.21 0.00 -1.01 0.00 0.00 57.07 57.65 3a17 s TYR 90 Cb 0.00 -3.14 -0.06 0.00 -0.11 0.00 0.00 41.96 38.65 3a17 s TYR 90 CO 0.00 -0.07 0.61 -1.21 -1.11 0.00 0.00 175.55 173.78 3a17 s GLU 91 N -1.15 4.30 -0.10 -0.62 2.02 0.31 -1.32 118.70 122.15 3a17 s GLU 91 Ca 0.43 0.80 0.01 0.00 0.02 0.00 0.00 54.97 56.23 3a17 s GLU 91 Cb -0.29 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.68 3a17 s GLU 91 CO 0.36 0.51 -0.11 -0.80 0.02 0.00 0.00 175.26 175.24 3a17 s ASN 92 N -0.70 2.11 -0.27 -0.19 0.01 0.94 -1.00 114.94 115.83 3a17 s ASN 92 Ca 0.31 -0.34 -0.10 0.00 -0.71 0.00 0.00 52.86 52.03 3a17 s ASN 92 Cb -0.19 -0.90 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 3a17 s ASN 92 CO 0.19 -0.04 0.15 -0.76 -1.51 0.00 0.00 177.10 175.13 3a17 s LEU 93 N 1.19 3.84 -0.14 0.60 1.43 0.43 -1.30 118.68 124.73 3a17 s LEU 93 Ca -0.04 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 3a17 s LEU 93 Cb -0.14 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3a17 s LEU 93 CO -0.03 -0.06 -0.19 -0.63 0.23 0.00 0.00 176.35 175.67 3a17 s ILE 94 N 1.70 2.38 -0.18 -0.59 1.01 0.30 -0.53 121.20 125.29 3a17 s ILE 94 Ca 0.07 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3a17 s ILE 94 Cb -0.16 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3a17 s ILE 94 CO 0.08 0.53 0.07 -0.69 0.00 0.00 0.00 174.94 174.93 3a17 s VAL 95 N 0.78 4.83 -0.14 2.92 1.01 0.66 0.19 120.40 130.65 3a17 s VAL 95 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.90 3a17 s VAL 95 Cb -0.16 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3a17 s VAL 95 CO -0.00 0.47 -0.16 0.54 0.00 0.00 0.00 175.10 175.95 3a17 s VAL 96 N 0.28 2.66 -0.05 2.92 0.11 -0.79 0.10 120.40 125.63 3a17 s VAL 96 Ca 0.04 -0.78 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 3a17 s VAL 96 Cb -0.12 -2.11 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 3a17 s VAL 96 CO 0.00 0.52 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.36 3a17 s GLY 97 N 0.66 1.61 -0.12 6.54 0.00 0.26 -2.37 107.32 113.90 3a17 s GLY 97 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3a17 s GLY 97 CO 0.02 -0.73 -0.13 -0.19 0.00 0.00 0.00 173.10 172.07 3a17 s TYR 98 N -0.78 2.80 0.10 1.90 2.02 -0.44 -0.62 117.35 122.34 3a17 s TYR 98 Ca 0.12 -0.58 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 3a17 s TYR 98 Cb -0.11 -1.82 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3a17 s TYR 98 CO 0.01 -0.16 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.14 3a17 s TRP 99 N 0.22 2.72 -0.49 2.71 0.51 -0.06 -0.61 118.94 123.95 3a17 s TRP 99 Ca -0.08 -0.16 0.24 0.00 -2.12 0.00 0.00 56.10 53.97 3a17 s TRP 99 Cb -0.15 -1.44 0.38 0.00 -0.81 0.00 0.00 33.47 31.45 3a17 s TRP 99 CO 0.05 0.41 1.53 0.87 -0.51 0.00 0.00 176.95 179.30 3a17 h LYS 100 N 3.72 0.00 -3.80 4.98 1.57 -1.89 -2.70 116.57 118.45 3a17 h LYS 100 Ca -0.49 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 3a17 h LYS 100 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 3a17 h LYS 100 CO 0.52 0.00 -0.35 0.16 -0.57 0.00 0.00 179.45 179.21 3a17 s ASP 101 N -5.55 0.09 0.04 0.86 -4.77 -1.24 -4.53 116.67 101.57 3a17 s ASP 101 Ca 0.06 -0.67 -0.23 0.00 -3.30 0.00 0.00 52.55 48.42 3a17 s ASP 101 Cb 0.08 0.36 -0.15 0.00 -1.09 0.00 0.00 42.92 42.12 3a17 s ASP 101 CO 0.68 -0.76 1.44 0.58 0.70 0.00 0.00 175.17 177.81 3a17 h VAL 102 N 2.70 1.27 -0.19 2.11 2.07 -1.89 -3.32 116.25 119.01 3a17 h VAL 102 Ca -0.34 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 3a17 h VAL 102 Cb 1.21 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3a17 h VAL 102 CO 0.55 0.25 -0.19 0.77 0.02 0.00 0.00 177.57 178.97 3a17 h SER 103 N -0.14 0.31 0.17 0.57 4.64 -1.98 -2.39 113.55 114.74 3a17 h SER 103 Ca 0.02 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 3a17 h SER 103 Cb 0.39 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3a17 h SER 103 CO 0.01 0.52 -0.46 0.77 -0.87 0.00 0.00 176.83 176.80 3a17 h SER 104 N 0.30 0.37 -0.06 4.97 4.64 -1.93 0.13 113.55 121.97 3a17 h SER 104 Ca 0.05 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.07 3a17 h SER 104 Cb 0.51 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3a17 h SER 104 CO 0.03 0.77 -0.42 -0.61 -0.87 0.00 0.00 176.83 175.74 3a17 h GLN 105 N 0.28 0.58 -0.32 4.77 -0.00 -1.58 -2.27 115.11 116.58 3a17 h GLN 105 Ca 0.02 -0.30 -0.04 0.00 -0.00 0.00 0.00 58.65 58.32 3a17 h GLN 105 Cb 0.91 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.39 3a17 h GLN 105 CO 0.08 0.89 0.03 1.25 0.00 0.00 0.00 178.83 181.08 3a17 h HIS 106 N 0.48 0.59 0.00 3.99 2.76 -1.04 0.27 115.15 122.20 3a17 h HIS 106 Ca 0.04 -0.09 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3a17 h HIS 106 Cb 0.92 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 3a17 h HIS 106 CO 0.04 0.64 -0.00 0.00 -1.30 0.00 0.00 177.93 177.31 3a17 h ARG 107 N 0.36 0.00 0.06 5.26 3.08 -0.95 -1.47 114.38 120.72 3a17 h ARG 107 Ca 0.10 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 3a17 h ARG 107 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3a17 h ARG 107 CO 0.01 0.00 -0.52 2.35 -1.07 0.00 0.00 179.97 180.74 3a17 h TRP 108 N 0.00 0.21 -0.19 3.04 7.01 -0.93 -2.36 115.95 122.73 3a17 h TRP 108 Ca -0.00 -0.16 0.04 0.00 2.11 0.00 0.00 58.89 60.89 3a17 h TRP 108 Cb 0.00 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 3a17 h TRP 108 CO 0.00 1.20 0.13 0.77 -2.79 0.00 0.00 178.44 177.76 3a17 h SER 109 N -0.73 0.05 0.25 2.65 0.02 -0.22 -2.91 113.55 112.66 3a17 h SER 109 Ca -0.11 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.78 3a17 h SER 109 Cb 1.31 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3a17 h SER 109 CO 0.03 0.03 -1.81 0.35 -1.14 0.00 0.00 176.83 174.30 3a17 n THR 110 N -4.49 0.39 -1.68 -2.27 -2.24 -0.58 -3.85 114.28 99.57 3a17 n THR 110 Ca 0.01 -0.57 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 3a17 n THR 110 Cb 0.23 -0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.27 3a17 n THR 110 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a17 n SER 111 N -2.45 2.50 -0.16 3.42 3.41 -0.89 -4.52 113.62 114.92 3a17 n SER 111 Ca -0.07 1.20 -0.10 0.00 -0.26 0.00 0.00 58.87 59.64 3a17 n SER 111 Cb 0.66 -1.45 -0.05 0.00 -0.26 0.00 0.00 64.21 63.11 3a17 n SER 111 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3a17 h THR 112 N 2.44 0.09 -0.59 6.66 2.02 -1.90 -0.55 112.91 121.08 3a17 h THR 112 Ca -0.45 0.00 0.07 0.00 0.77 0.00 0.00 66.41 66.80 3a17 h THR 112 Cb 1.29 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3a17 h THR 112 CO 0.62 0.00 0.39 1.55 0.37 0.00 0.00 175.52 178.45 3a17 h PRO 113 N -0.29 0.52 0.01 6.66 0.13 -1.94 -0.70 132.00 136.38 3a17 h PRO 113 Ca 0.15 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a17 h PRO 113 Cb 0.58 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.59 3a17 h PRO 113 CO -0.62 0.34 -0.00 0.82 -0.23 0.00 0.00 178.00 178.31 3a17 h ILE 114 N 0.54 1.47 -0.55 -3.56 1.08 -1.63 -3.22 117.51 111.64 3a17 h ILE 114 Ca 0.26 -2.02 -0.04 0.00 -0.39 0.00 0.00 64.86 62.66 3a17 h ILE 114 Cb 0.33 2.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.80 3a17 h ILE 114 CO -0.08 0.48 0.17 0.00 -0.69 0.00 0.00 178.15 178.04 3a17 h ALA 115 N -0.13 1.28 0.00 1.87 0.00 -0.95 -2.18 119.26 119.15 3a17 h ALA 115 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3a17 h ALA 115 Cb 0.80 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3a17 h ALA 115 CO 0.00 0.52 -0.60 0.66 0.00 0.00 0.00 179.25 179.83 3a17 h SER 116 N 0.79 0.00 -0.39 0.00 4.64 -1.30 -1.58 113.55 115.71 3a17 h SER 116 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 3a17 h SER 116 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3a17 h SER 116 CO -0.01 0.60 -0.23 -0.25 -0.87 0.00 0.00 176.83 176.08 3a17 h TRP 117 N 0.00 0.99 -0.04 4.77 7.01 -1.47 -2.44 115.95 124.78 3a17 h TRP 117 Ca -0.01 -0.26 -0.03 0.00 2.11 0.00 0.00 58.89 60.71 3a17 h TRP 117 Cb 1.11 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 3a17 h TRP 117 CO 0.00 1.03 -0.07 2.35 -2.79 0.00 0.00 178.44 178.96 3a17 h TRP 118 N 0.66 0.15 0.00 2.65 2.91 -1.29 -3.30 115.95 117.73 3a17 h TRP 118 Ca 0.08 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3a17 h TRP 118 Cb 0.79 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.42 3a17 h TRP 118 CO 0.06 0.66 -0.03 0.39 -1.03 0.00 0.00 178.44 178.48 3a17 n GLU 119 N -4.71 0.15 -1.62 2.65 1.02 -0.61 -4.89 120.64 112.64 3a17 n GLU 119 Ca -0.08 0.12 -0.43 0.00 -0.02 0.00 0.00 57.16 56.75 3a17 n GLU 119 Cb 0.33 -1.67 -0.00 0.00 -0.02 0.00 0.00 31.44 30.08 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 -1.93 1.53 0.03 1.62 2.88 -0.92 -4.89 113.62 111.95 3a17 n SER 120 Ca 0.06 1.12 0.10 0.00 -1.33 0.00 0.00 58.87 58.82 3a17 n SER 120 Cb 0.39 -1.35 0.44 0.00 -0.75 0.00 0.00 64.21 62.94 3a17 n SER 120 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3a17 n GLU 121 N 0.44 0.06 0.16 -1.46 4.71 -1.26 -3.09 120.64 120.20 3a17 n GLU 121 Ca 0.09 0.21 0.04 0.00 -0.01 0.00 0.00 57.16 57.48 3a17 n GLU 121 Cb 0.36 -1.59 0.45 0.00 -1.01 0.00 0.00 31.44 29.64 3a17 n GLU 121 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3a17 h ASP 122 N 0.00 0.14 -0.25 1.62 5.19 -1.94 -2.38 116.42 118.80 3a17 h ASP 122 Ca 0.00 -0.02 0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3a17 h ASP 122 Cb 0.39 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3a17 h ASP 122 CO 0.00 0.28 0.17 0.03 -3.12 0.00 0.00 179.24 176.61 3a17 h ARG 123 N 0.14 0.15 0.00 3.56 2.47 -1.86 0.23 114.38 119.07 3a17 h ARG 123 Ca 0.03 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3a17 h ARG 123 Cb 0.31 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 3a17 h ARG 123 CO 0.02 0.10 0.00 -0.07 0.56 0.00 0.00 179.97 180.58 3a17 h LEU 124 N 0.15 0.00 -0.74 3.04 3.38 -1.64 -3.33 115.31 116.17 3a17 h LEU 124 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a17 h LEU 124 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3a17 h LEU 124 CO -0.02 0.00 -0.02 -1.54 0.09 0.00 0.00 178.44 176.95 3a17 n SER 125 N -2.65 0.81 0.28 -0.43 3.41 -0.37 -4.60 113.62 110.08 3a17 n SER 125 Ca 0.04 -0.91 0.16 0.00 -0.26 0.00 0.00 58.87 57.91 3a17 n SER 125 Cb 0.44 0.30 0.76 0.00 -0.26 0.00 0.00 64.21 65.44 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 0.22 0.00 0.00 4.04 3.32 -0.72 -3.47 116.42 119.82 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 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3a17 h ASP 126 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 3a17 n GLY 127 N -0.28 2.98 3.81 2.75 0.00 -1.26 -5.03 105.19 108.16 3a17 n GLY 127 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.97 0.38 0.99 1.43 -1.26 -4.99 118.68 119.19 3a17 s LEU 128 Ca 0.00 1.76 -0.18 0.00 -1.03 0.00 0.00 54.13 54.67 3a17 s LEU 128 Cb 0.00 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 3a17 s LEU 128 CO 0.00 -0.40 0.85 -0.83 0.23 0.00 0.00 176.35 176.20 3a17 s GLY 129 N -2.06 2.38 0.01 -3.19 0.00 0.74 -4.78 107.32 100.43 3a17 s GLY 129 Ca 0.61 0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.59 3a17 s GLY 129 CO 0.16 0.50 -0.05 -1.36 0.00 0.00 0.00 173.10 172.35 3a17 s PHE 130 N -2.06 0.40 0.04 1.90 0.08 0.56 -0.59 117.98 118.30 3a17 s PHE 130 Ca 0.58 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 57.27 3a17 s PHE 130 Cb -0.10 -0.25 0.00 0.00 -0.57 0.00 0.00 43.02 42.10 3a17 s PHE 130 CO 0.15 -0.06 0.19 -0.59 -0.10 0.00 0.00 175.22 174.82 3a17 s PHE 131 N -0.69 0.05 -0.16 0.36 -0.12 -0.85 -0.27 117.98 116.30 3a17 s PHE 131 Ca -0.05 -0.26 -0.01 0.00 -0.05 0.00 0.00 56.93 56.56 3a17 s PHE 131 Cb -0.05 -0.03 0.04 0.00 -0.63 0.00 0.00 43.02 42.35 3a17 s PHE 131 CO -0.00 -0.42 -0.04 1.03 -0.05 0.00 0.00 175.22 175.73 3a17 s ARG 132 N -2.50 1.34 -0.51 1.99 0.52 -0.24 0.15 118.95 119.70 3a17 s ARG 132 Ca -0.06 -0.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 3a17 s ARG 132 Cb -0.01 -1.93 0.13 0.00 0.52 0.00 0.00 34.95 33.66 3a17 s ARG 132 CO -0.04 -0.43 0.27 -1.21 0.02 0.00 0.00 175.30 173.92 3a17 s GLU 133 N 1.67 2.05 -0.26 3.54 2.02 0.48 -0.89 118.70 127.31 3a17 s GLU 133 Ca 0.01 -2.46 -0.05 0.00 0.02 0.00 0.00 54.97 52.49 3a17 s GLU 133 Cb -0.15 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.67 3a17 s GLU 133 CO -0.08 -1.10 0.01 0.42 0.02 0.00 0.00 175.26 174.54 3a17 s ILE 134 N -0.01 3.57 0.04 -1.63 1.01 0.14 -1.16 121.20 123.17 3a17 s ILE 134 Ca 0.16 -0.69 0.07 0.00 0.00 0.00 0.00 60.65 60.18 3a17 s ILE 134 Cb -0.23 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 3a17 s ILE 134 CO -0.02 0.21 -0.19 0.68 0.00 0.00 0.00 174.94 175.62 3a17 s VAL 135 N 1.46 1.54 -0.44 2.92 -7.23 -0.57 -0.66 120.40 117.43 3a17 s VAL 135 Ca 0.03 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3a17 s VAL 135 Cb -0.16 -1.35 0.14 0.00 0.56 0.00 0.00 36.38 35.57 3a17 s VAL 135 CO -0.01 0.15 0.26 0.00 -0.31 0.00 0.00 175.10 175.20 3a17 s ALA 136 N -0.82 2.04 0.25 1.32 0.00 -0.03 -0.81 121.76 123.72 3a17 s ALA 136 Ca 0.06 -2.57 -0.25 0.00 0.00 0.00 0.00 51.96 49.20 3a17 s ALA 136 Cb -0.09 -1.85 -0.09 0.00 0.00 0.00 0.00 23.12 21.10 3a17 s ALA 136 CO 0.02 -2.06 0.85 -1.25 0.00 0.00 0.00 175.76 173.32 3a17 s PRO 137 N 0.30 4.53 0.82 0.00 0.04 -1.22 -4.83 135.00 134.65 3a17 s PRO 137 Ca 0.19 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 3a17 s PRO 137 Cb -0.20 -2.98 0.08 0.00 0.04 0.00 0.00 34.50 31.44 3a17 s PRO 137 CO -0.02 0.40 1.09 1.03 0.04 0.00 0.00 177.00 179.54 3a17 s ARG 138 N -1.73 1.92 0.31 4.56 0.52 -1.26 -1.98 118.95 121.30 3a17 s ARG 138 Ca 0.44 0.90 0.08 0.00 -0.52 0.00 0.00 55.73 56.63 3a17 s ARG 138 Cb -0.20 -1.88 0.82 0.00 0.52 0.00 0.00 34.95 34.21 3a17 s ARG 138 CO 0.25 -1.80 1.75 0.00 0.02 0.00 0.00 175.30 175.52 3a17 h ALA 139 N -1.23 1.75 0.00 2.13 0.00 -1.33 0.41 119.26 120.99 3a17 h ALA 139 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3a17 h ALA 139 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3a17 h ALA 139 CO 0.55 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.78 3a17 n GLU 140 N -4.82 0.01 -0.30 0.00 0.28 -1.26 -3.72 120.64 110.83 3a17 n GLU 140 Ca 0.25 0.22 0.07 0.00 -0.16 0.00 0.00 57.16 57.54 3a17 n GLU 140 Cb 0.66 -1.52 0.20 0.00 1.43 0.00 0.00 31.44 32.22 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 -1.54 2.90 -3.95 3.44 6.02 0.15 -1.67 117.38 122.73 3a17 n GLN 141 Ca 0.04 -2.43 -0.09 0.00 -0.01 0.00 0.00 57.00 54.51 3a17 n GLN 141 Cb 0.20 -1.55 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 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 -1.89 0.21 0.09 1.08 -0.71 -1.22 -0.89 117.98 114.65 3a17 s PHE 142 Ca 0.32 -0.47 0.06 0.00 -1.04 0.00 0.00 56.93 55.80 3a17 s PHE 142 Cb 0.23 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.85 3a17 s PHE 142 CO 0.12 -0.28 -0.15 -1.83 -1.34 0.00 0.00 175.22 171.75 3a17 s GLU 143 N -1.96 0.91 0.10 1.99 4.04 -0.15 -4.70 118.70 118.93 3a17 s GLU 143 Ca -0.11 -1.06 0.07 0.00 0.04 0.00 0.00 54.97 53.91 3a17 s GLU 143 Cb -0.05 -0.90 -0.03 0.00 0.02 0.00 0.00 34.13 33.17 3a17 s GLU 143 CO -0.02 0.19 -0.18 0.95 -1.84 0.00 0.00 175.26 174.36 3a17 s THR 144 N -1.54 1.51 -0.07 1.83 -4.23 -1.26 -1.18 115.64 110.69 3a17 s THR 144 Ca 0.02 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 3a17 s THR 144 Cb -0.08 -1.45 0.04 0.00 1.34 0.00 0.00 72.50 72.35 3a17 s THR 144 CO 0.03 -0.17 0.15 -0.22 -0.54 0.00 0.00 174.62 173.86 3a17 s LEU 145 N -2.00 0.57 -0.03 4.79 2.96 -0.13 -4.55 118.68 120.27 3a17 s LEU 145 Ca 0.05 0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3a17 s LEU 145 Cb -0.09 0.34 0.00 0.00 0.50 0.00 0.00 46.19 46.94 3a17 s LEU 145 CO 0.04 -0.17 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.46 3a17 s TYR 146 N 1.39 1.33 -0.38 5.38 2.02 0.10 -0.96 117.35 126.24 3a17 s TYR 146 Ca -0.07 -0.36 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 3a17 s TYR 146 Cb -0.12 -0.92 0.55 0.00 -0.40 0.00 0.00 41.96 41.08 3a17 s TYR 146 CO -0.06 -0.13 1.77 0.00 -1.57 0.00 0.00 175.55 175.56 3a17 n ALA 147 N 3.22 5.12 -3.32 3.71 0.00 -0.91 -0.81 120.51 127.52 3a17 n ALA 147 Ca -0.18 -2.43 -0.11 0.00 0.00 0.00 0.00 53.44 50.72 3a17 n ALA 147 Cb 0.54 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.76 -0.40 -0.38 0.00 -0.12 -1.26 -4.82 117.98 108.24 3a17 s PHE 148 Ca 0.48 0.14 0.15 0.00 -0.05 0.00 0.00 56.93 57.64 3a17 s PHE 148 Cb 0.40 0.47 -0.20 0.00 -0.63 0.00 0.00 43.02 43.07 3a17 s PHE 148 CO 0.09 -0.83 0.49 1.04 -0.05 0.00 0.00 175.22 175.95 3a17 n GLN 149 N -0.34 1.36 -4.31 1.99 6.02 -1.26 -4.75 117.38 116.09 3a17 n GLN 149 Ca -0.16 -0.06 -0.28 0.00 -0.01 0.00 0.00 57.00 56.49 3a17 n GLN 149 Cb 0.64 -1.27 -0.11 0.00 1.02 0.00 0.00 30.24 30.52 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 -2.70 1.84 -1.21 -1.09 1.03 -1.26 -4.75 118.70 110.55 3a17 s GLU 150 Ca 0.00 -1.24 -0.15 0.00 0.03 0.00 0.00 54.97 53.62 3a17 s GLU 150 Cb 0.10 -2.10 -0.00 0.00 -0.80 0.00 0.00 34.13 31.33 3a17 s GLU 150 CO 0.62 0.46 0.70 -0.25 -1.33 0.00 0.00 175.26 175.46 3a17 n ASP 151 N 0.54 -3.84 -4.73 0.83 8.00 -1.26 -4.87 116.55 111.23 3a17 n ASP 151 Ca -0.14 -1.01 -0.42 0.00 0.71 0.00 0.00 54.79 53.93 3a17 n ASP 151 Cb 0.54 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.31 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 -6.63 4.37 0.75 0.64 1.43 -1.26 -5.01 118.68 112.97 3a17 s LEU 152 Ca 0.33 2.73 -0.04 0.00 -1.03 0.00 0.00 54.13 56.13 3a17 s LEU 152 Cb -0.12 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.62 3a17 s LEU 152 CO 0.87 -0.86 1.04 -2.16 0.23 0.00 0.00 176.35 175.47 3a17 s PRO 153 N 0.71 1.58 4.25 1.29 0.04 -1.26 -3.09 135.00 138.52 3a17 s PRO 153 Ca 0.69 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.80 3a17 s PRO 153 Cb -0.46 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3a17 s PRO 153 CO 0.35 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3a17 n GLY 154 N -2.97 1.22 0.32 0.56 0.00 -1.26 -2.78 105.19 100.28 3a17 n GLY 154 Ca 0.14 -0.62 0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 0.06 -0.41 1.61 3.04 -2.00 -1.85 116.25 116.70 3a17 h VAL 155 Ca 0.00 -0.14 0.03 0.00 -1.01 0.00 0.00 66.70 65.57 3a17 h VAL 155 Cb 0.00 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 3a17 h VAL 155 CO 0.00 0.01 0.27 1.23 -1.01 0.00 0.00 177.57 178.07 3a17 h GLY 156 N 0.50 0.51 2.00 3.17 0.00 -1.81 -2.03 103.07 105.41 3a17 h GLY 156 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3a17 h GLY 156 CO 0.00 0.16 -0.07 0.00 0.00 0.00 0.00 176.54 176.63 3a17 h ALA 157 N 1.76 1.28 -0.24 3.60 0.00 -1.26 -2.62 119.26 121.79 3a17 h ALA 157 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a17 h ALA 157 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3a17 h ALA 157 CO -0.04 0.09 0.00 1.33 0.00 0.00 0.00 179.25 180.63 3a17 n VAL 158 N -3.58 0.33 -2.49 0.00 0.24 -0.77 -4.94 118.33 107.12 3a17 n VAL 158 Ca -0.02 -0.67 -0.23 0.00 -2.04 0.00 0.00 64.34 61.39 3a17 n VAL 158 Cb 0.19 1.13 0.05 0.00 -1.47 0.00 0.00 33.84 33.74 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 -1.52 2.38 0.25 7.34 -1.94 -0.99 -4.91 119.30 119.92 3a17 s MET 159 Ca 0.31 -0.63 0.07 0.00 -1.71 0.00 0.00 55.69 53.73 3a17 s MET 159 Cb 0.20 -2.38 0.30 0.00 2.01 0.00 0.00 34.83 34.96 3a17 s MET 159 CO 0.28 -0.92 1.58 -0.44 -0.01 0.00 0.00 175.02 175.51 3a17 h ASP 160 N -0.18 0.16 0.00 3.03 3.32 -1.14 -3.49 116.42 118.13 3a17 h ASP 160 Ca -0.43 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3a17 h ASP 160 Cb 1.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3a17 h ASP 160 CO 0.54 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 179.40 3a17 n GLY 161 N 0.25 -0.98 3.81 2.75 0.00 -1.09 -5.01 105.19 104.92 3a17 n GLY 161 Ca -0.02 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.00 4.99 1.04 -0.61 1.10 -1.26 -0.07 121.20 123.39 3a17 s ILE 162 Ca 0.00 -0.10 -0.15 0.00 -0.51 0.00 0.00 60.65 59.89 3a17 s ILE 162 Cb 0.00 -3.20 0.21 0.00 0.15 0.00 0.00 42.46 39.62 3a17 s ILE 162 CO 0.00 0.52 1.14 -0.94 -2.11 0.00 0.00 174.94 173.55 3a17 s SER 163 N -1.25 2.37 0.98 4.50 1.04 -0.25 -4.83 113.70 116.26 3a17 s SER 163 Ca 0.18 0.83 -0.09 0.00 0.48 0.00 0.00 55.95 57.35 3a17 s SER 163 Cb -0.12 -1.27 0.12 0.00 0.10 0.00 0.00 66.02 64.86 3a17 s SER 163 CO 0.07 -3.25 0.72 0.61 0.98 0.00 0.00 173.24 172.37 3a17 n GLY 164 N -1.68 -1.25 3.69 7.32 0.00 -1.26 -4.74 105.19 107.26 3a17 n GLY 164 Ca 0.09 -1.70 -0.58 0.00 0.00 0.00 0.00 46.02 43.83 3a17 n GLY 164 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a17 n GLU 165 N -2.51 1.04 -3.84 1.61 1.02 -1.26 -4.62 120.64 112.08 3a17 n GLU 165 Ca 0.09 0.38 -0.28 0.00 -0.02 0.00 0.00 57.16 57.33 3a17 n GLU 165 Cb 0.31 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.66 3a17 n GLU 165 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3a17 s ILE 166 N 2.97 5.29 -0.00 -3.67 -5.25 -0.99 -2.90 121.20 116.65 3a17 s ILE 166 Ca 0.97 -0.44 0.04 0.00 -0.99 0.00 0.00 60.65 60.23 3a17 s ILE 166 Cb -1.09 -3.70 -0.25 0.00 2.95 0.00 0.00 42.46 40.38 3a17 s ILE 166 CO 0.64 -0.03 0.82 -1.13 -1.79 0.00 0.00 174.94 173.45 3a17 h ASN 167 N 2.44 0.17 -1.57 4.36 -0.73 -1.56 -3.42 115.58 115.27 3a17 h ASN 167 Ca -0.47 -0.28 -0.76 0.00 1.87 0.00 0.00 56.30 56.66 3a17 h ASN 167 Cb 1.18 -0.06 -0.17 0.00 0.27 0.00 0.00 38.32 39.54 3a17 h ASN 167 CO 0.71 1.24 1.88 -0.62 -0.37 0.00 0.00 177.43 180.27 3a17 n GLU 168 N -3.29 3.79 -3.90 6.67 4.71 -1.26 -4.59 120.64 122.77 3a17 n GLU 168 Ca -0.15 -3.66 -0.08 0.00 -0.01 0.00 0.00 57.16 53.26 3a17 n GLU 168 Cb 1.03 -2.85 -0.03 0.00 -1.01 0.00 0.00 31.44 28.57 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 -0.14 -0.01 0.00 -0.32 -3.43 -1.26 -4.73 115.29 105.39 3a17 s HIS 169 Ca 0.39 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 3a17 s HIS 169 Cb 0.10 0.55 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 3a17 s HIS 169 CO 0.01 -1.16 0.00 0.41 -2.00 0.00 0.00 174.74 172.00 3a17 n GLY 170 N -0.44 0.84 3.26 -1.38 0.00 -1.26 -4.72 105.19 101.49 3a17 n GLY 170 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.06 -0.12 0.10 1.61 1.13 -1.26 -4.96 117.35 111.78 3a17 s TYR 171 Ca 0.00 -0.01 -0.31 0.00 -1.41 0.00 0.00 57.07 55.34 3a17 s TYR 171 Cb 0.00 0.11 -0.08 0.00 -1.10 0.00 0.00 41.96 40.89 3a17 s TYR 171 CO 0.00 -0.52 1.53 -1.58 -2.51 0.00 0.00 175.55 172.48 3a17 s TRP 172 N -2.59 2.85 0.00 -3.49 0.52 -1.26 -2.32 118.94 112.65 3a17 s TRP 172 Ca -0.05 0.62 0.00 0.00 0.02 0.00 0.00 56.10 56.69 3a17 s TRP 172 Cb -0.01 -3.85 0.00 0.00 -1.15 0.00 0.00 33.47 28.47 3a17 s TRP 172 CO -0.04 -3.21 0.00 0.41 0.02 0.00 0.00 176.95 174.14 3a17 n GLY 173 N 3.77 0.46 0.12 0.98 0.00 -1.26 -4.96 105.19 104.29 3a17 n GLY 173 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.02 1.61 4.64 -1.79 -2.79 113.55 115.23 3a17 h SER 174 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a17 h SER 174 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a17 h SER 174 CO 0.00 0.65 -0.01 -0.03 -0.87 0.00 0.00 176.83 176.57 3a17 h MET 175 N 0.00 -0.02 -0.48 4.77 -1.53 -1.85 -1.31 114.93 114.51 3a17 h MET 175 Ca -0.01 0.00 0.09 0.00 -3.44 0.00 0.00 59.70 56.35 3a17 h MET 175 Cb 1.47 0.00 -0.08 0.00 -0.55 0.00 0.00 31.60 32.45 3a17 h MET 175 CO 0.08 0.09 -0.01 -0.09 0.14 0.00 0.00 176.91 177.12 3a17 h ARG 176 N -0.13 0.10 0.00 0.39 2.43 -1.97 -1.76 114.38 113.44 3a17 h ARG 176 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3a17 h ARG 176 Cb 0.12 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3a17 h ARG 176 CO 0.00 0.07 0.00 0.93 -1.51 0.00 0.00 179.97 179.46 3a17 h GLU 177 N 0.10 0.00 0.00 0.20 5.08 -1.19 -1.68 114.58 117.09 3a17 h GLU 177 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3a17 h GLU 177 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 3a17 h GLU 177 CO -0.41 0.00 -0.12 0.00 -1.00 0.00 0.00 179.01 177.48 3a17 h ARG 178 N 0.00 0.00 -6.25 2.33 3.08 -0.31 -3.44 114.38 109.79 3a17 h ARG 178 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3a17 h ARG 178 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3a17 h ARG 178 CO 0.00 0.00 1.02 -0.06 -1.07 0.00 0.00 179.97 179.86 3a17 s PHE 179 N -3.16 2.42 0.37 3.04 0.40 -0.63 -4.66 117.98 115.77 3a17 s PHE 179 Ca 0.08 0.68 0.12 0.00 -0.60 0.00 0.00 56.93 57.22 3a17 s PHE 179 Cb 0.10 -3.81 0.92 0.00 0.51 0.00 0.00 43.02 40.73 3a17 s PHE 179 CO 0.64 -2.49 1.84 -1.35 0.70 0.00 0.00 175.22 174.57 3a17 h PRO 180 N 9.47 0.57 0.00 0.24 0.11 -1.82 -0.62 132.00 139.94 3a17 h PRO 180 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3a17 h PRO 180 Cb 1.13 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3a17 h PRO 180 CO 0.99 0.37 0.00 0.97 -0.21 0.00 0.00 178.00 180.12 3a17 h ILE 181 N 0.58 0.00 0.00 4.15 2.10 -1.67 -2.57 117.51 120.11 3a17 h ILE 181 Ca 0.49 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 66.19 3a17 h ILE 181 Cb 0.96 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 3a17 h ILE 181 CO -0.23 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.30 3a17 n SER 182 N -2.81 0.05 0.21 2.19 3.41 -0.24 -0.30 113.62 116.13 3a17 n SER 182 Ca -0.00 0.52 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 3a17 n SER 182 Cb 0.18 -0.53 0.45 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.00 0.00 4.33 4.20 -1.62 -3.37 115.11 118.64 3a17 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a17 h GLN 183 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3a17 h GLN 183 CO 0.00 0.30 -0.41 0.25 -0.67 0.00 0.00 178.83 178.30 3a17 n THR 184 N -3.90 0.00 -4.58 -0.54 -2.24 -0.87 -0.47 114.28 101.68 3a17 n THR 184 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 3a17 n THR 184 Cb 0.37 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.28 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 -1.47 4.01 0.00 3.42 2.15 0.59 -4.78 116.67 120.59 3a17 s ASP 185 Ca 0.00 -0.37 0.28 0.00 0.43 0.00 0.00 52.55 52.89 3a17 s ASP 185 Cb 0.00 -0.72 1.16 0.00 -0.30 0.00 0.00 42.92 43.06 3a17 s ASP 185 CO 0.00 0.25 1.84 0.79 -0.17 0.00 0.00 175.17 177.88 3a17 n TRP 186 N 1.47 0.00 -3.07 -5.34 7.02 -1.26 -4.20 117.44 112.06 3a17 n TRP 186 Ca -0.16 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.11 3a17 n TRP 186 Cb 0.52 -0.31 0.01 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.26 -3.91 -2.14 -0.99 2.81 -1.26 -4.94 117.12 105.43 3a17 n MET 187 Ca 0.11 0.71 -0.38 0.00 -1.81 0.00 0.00 57.70 56.33 3a17 n MET 187 Cb 0.30 -5.48 -0.00 0.00 -0.71 0.00 0.00 33.22 27.32 3a17 n MET 187 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3a17 s GLN 188 N -5.73 3.80 0.21 0.03 -1.52 -1.26 -4.69 119.66 110.51 3a17 s GLN 188 Ca 0.30 1.97 -0.15 0.00 -1.95 0.00 0.00 55.36 55.53 3a17 s GLN 188 Cb -0.15 -2.56 -0.08 0.00 -0.22 0.00 0.00 33.01 30.01 3a17 s GLN 188 CO 0.37 -0.57 0.62 0.00 -0.25 0.00 0.00 175.29 175.46 3a17 s ALA 189 N -1.39 3.49 -0.01 6.09 0.00 -1.26 -4.58 121.76 124.11 3a17 s ALA 189 Ca 0.61 -0.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.30 3a17 s ALA 189 Cb -0.34 -2.62 0.04 0.00 0.00 0.00 0.00 23.12 20.21 3a17 s ALA 189 CO 0.42 0.41 0.47 -1.54 0.00 0.00 0.00 175.76 175.52 3a17 s SER 190 N -1.92 -0.38 0.00 0.00 1.04 -1.23 -5.05 113.70 106.15 3a17 s SER 190 Ca 0.44 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3a17 s SER 190 Cb -0.14 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3a17 s SER 190 CO 0.20 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3a17 n GLY 191 N 0.92 -0.75 3.53 7.32 0.00 -1.26 -2.77 105.19 112.17 3a17 n GLY 191 Ca -0.20 -1.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.73 1.85 -0.29 1.61 8.01 -1.26 -4.90 118.70 122.00 3a17 s GLU 192 Ca 0.00 -1.71 -0.29 0.00 0.01 0.00 0.00 54.97 52.99 3a17 s GLU 192 Cb 0.00 -1.86 0.01 0.00 -4.31 0.00 0.00 34.13 27.97 3a17 s GLU 192 CO 0.00 0.31 1.05 -1.17 0.01 0.00 0.00 175.26 175.46 3a17 s LEU 193 N -3.57 4.00 -0.04 1.80 2.96 -1.26 -4.27 118.68 118.29 3a17 s LEU 193 Ca 0.31 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.41 3a17 s LEU 193 Cb -0.04 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.12 3a17 s LEU 193 CO 0.16 -0.79 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.15 3a17 s ARG 194 N 3.46 1.37 -0.01 1.98 0.52 -0.92 -0.93 118.95 124.44 3a17 s ARG 194 Ca 0.44 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 3a17 s ARG 194 Cb -0.13 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 3a17 s ARG 194 CO 0.12 0.13 1.40 0.08 0.02 0.00 0.00 175.30 177.05 3a17 s VAL 195 N 0.27 3.72 -0.37 3.52 1.01 -0.34 0.06 120.40 128.26 3a17 s VAL 195 Ca -0.06 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.09 3a17 s VAL 195 Cb -0.11 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.49 3a17 s VAL 195 CO 0.02 -0.01 0.33 2.30 0.00 0.00 0.00 175.10 177.74 3a17 n ILE 196 N 4.70 0.00 -3.71 2.22 -5.35 -0.23 -4.38 119.36 112.60 3a17 n ILE 196 Ca 0.13 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.14 3a17 n ILE 196 Cb 0.44 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.25 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 -1.61 -1.17 0.00 -1.28 0.00 -1.15 -5.00 121.76 111.55 3a17 s ALA 197 Ca 0.03 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.33 3a17 s ALA 197 Cb 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3a17 s ALA 197 CO 0.28 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3a17 n GLY 198 N 2.83 -1.65 3.10 0.00 0.00 -1.26 -1.43 105.19 106.78 3a17 n GLY 198 Ca -0.13 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 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 0.11 0.29 1.61 2.15 -1.26 -4.76 116.67 110.81 3a17 s ASP 199 Ca 0.00 0.69 0.02 0.00 0.43 0.00 0.00 52.55 53.69 3a17 s ASP 199 Cb 0.00 1.04 0.58 0.00 -0.30 0.00 0.00 42.92 44.24 3a17 s ASP 199 CO 0.00 -0.25 1.85 -0.65 -0.17 0.00 0.00 175.17 175.95 3a17 h PRO 200 N 8.22 0.94 -0.67 4.34 0.11 -1.92 -2.59 132.00 140.43 3a17 h PRO 200 Ca -0.16 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3a17 h PRO 200 Cb 1.12 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.98 3a17 h PRO 200 CO 0.15 0.62 0.28 0.00 -0.21 0.00 0.00 178.00 178.85 3a17 h ALA 201 N 1.54 1.23 -0.04 -0.75 0.00 -1.95 -2.88 119.26 116.41 3a17 h ALA 201 Ca 0.48 -0.16 -0.22 0.00 0.00 0.00 0.00 54.91 55.01 3a17 h ALA 201 Cb 0.48 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.02 3a17 h ALA 201 CO -0.24 0.57 -0.84 0.28 0.00 0.00 0.00 179.25 179.02 3a17 h VAL 202 N 0.97 1.32 0.00 0.00 2.07 -1.91 -3.49 116.25 115.21 3a17 h VAL 202 Ca 0.23 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3a17 h VAL 202 Cb 0.16 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3a17 h VAL 202 CO -0.02 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.82 3a17 n GLY 203 N 0.98 0.33 7.00 2.17 0.00 -1.01 -5.10 105.19 109.56 3a17 n GLY 203 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.08 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 2.81 3.66 -0.02 0.00 -1.26 -4.57 105.19 105.81 3a17 n GLY 204 Ca 0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 4.19 -0.06 1.61 0.52 -1.26 -0.19 118.95 123.77 3a17 s ARG 205 Ca 0.00 0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.69 3a17 s ARG 205 Cb 0.00 -3.57 0.01 0.00 0.52 0.00 0.00 34.95 31.91 3a17 s ARG 205 CO 0.00 -0.17 -0.13 0.08 0.02 0.00 0.00 175.30 175.10 3a17 s VAL 206 N 1.69 1.18 -0.19 3.52 1.01 0.14 -4.21 120.40 123.53 3a17 s VAL 206 Ca 0.25 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3a17 s VAL 206 Cb -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3a17 s VAL 206 CO 0.10 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 3a17 s VAL 207 N 0.51 2.37 -0.14 2.92 1.01 -0.51 -0.32 120.40 126.24 3a17 s VAL 207 Ca -0.12 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3a17 s VAL 207 Cb -0.14 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3a17 s VAL 207 CO 0.03 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 3a17 s VAL 208 N 1.33 4.35 -0.17 2.92 1.01 -0.21 -1.07 120.40 128.56 3a17 s VAL 208 Ca 0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3a17 s VAL 208 Cb -0.14 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 3a17 s VAL 208 CO -0.10 0.53 0.28 -0.60 0.00 0.00 0.00 175.10 175.21 3a17 s ARG 209 N -0.12 4.24 0.67 2.72 3.52 0.11 -3.36 118.95 126.74 3a17 s ARG 209 Ca 0.05 0.06 -0.08 0.00 -0.13 0.00 0.00 55.73 55.62 3a17 s ARG 209 Cb -0.13 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3a17 s ARG 209 CO 0.02 0.22 1.01 0.20 -0.81 0.00 0.00 175.30 175.94 3a17 s GLY 210 N 0.53 1.63 0.46 8.12 0.00 -1.26 -2.16 107.32 114.64 3a17 s GLY 210 Ca 0.16 -0.64 0.07 0.00 0.00 0.00 0.00 44.72 44.31 3a17 s GLY 210 CO 0.04 -0.28 0.33 -2.38 0.00 0.00 0.00 173.10 170.81 3a17 s HIS 211 N -3.22 2.33 0.38 1.90 -3.43 -1.26 -4.66 115.29 107.33 3a17 s HIS 211 Ca 0.57 -0.63 -0.28 0.00 -0.80 0.00 0.00 55.06 53.93 3a17 s HIS 211 Cb -0.11 -2.03 -0.11 0.00 -1.43 0.00 0.00 32.58 28.90 3a17 s HIS 211 CO 0.47 -0.15 1.43 -0.25 -2.00 0.00 0.00 174.74 174.25 3a17 n ASP 212 N -1.53 3.47 -3.85 7.38 8.00 -1.12 -3.56 116.55 125.34 3a17 n ASP 212 Ca 0.01 1.21 -0.27 0.00 0.71 0.00 0.00 54.79 56.44 3a17 n ASP 212 Cb 0.63 -1.59 0.02 0.00 -0.02 0.00 0.00 41.12 40.17 3a17 n ASP 212 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a17 n ASN 213 N 0.42 -3.28 -4.77 -2.24 3.02 0.94 -3.47 115.26 105.88 3a17 n ASN 213 Ca 0.03 -0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 53.39 3a17 n ASN 213 Cb 0.39 -3.86 -0.02 0.00 -0.61 0.00 0.00 39.78 35.67 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 -3.47 3.19 -0.08 2.41 1.01 -1.23 -4.40 121.20 118.63 3a17 s ILE 214 Ca 0.41 0.96 0.01 0.00 0.00 0.00 0.00 60.65 62.03 3a17 s ILE 214 Cb -0.20 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3a17 s ILE 214 CO 0.83 0.05 -0.10 0.00 0.00 0.00 0.00 174.94 175.72 3a17 s ALA 215 N -1.47 2.82 -0.14 9.38 0.00 -0.95 -2.88 121.76 128.51 3a17 s ALA 215 Ca 0.59 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3a17 s ALA 215 Cb -0.29 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.69 3a17 s ALA 215 CO 0.36 0.49 -0.16 -1.17 0.00 0.00 0.00 175.76 175.29 3a17 s LEU 216 N -0.52 1.76 -0.12 0.00 2.96 -0.24 0.08 118.68 122.59 3a17 s LEU 216 Ca 0.07 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3a17 s LEU 216 Cb -0.12 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 3a17 s LEU 216 CO 0.02 -0.02 -0.07 -0.51 -1.32 0.00 0.00 176.35 174.45 3a17 s ILE 217 N 1.29 3.67 -0.28 6.68 2.07 -0.55 -0.20 121.20 133.88 3a17 s ILE 217 Ca 0.01 -0.45 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 3a17 s ILE 217 Cb -0.14 -2.56 0.06 0.00 0.13 0.00 0.00 42.46 39.95 3a17 s ILE 217 CO -0.08 0.53 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.83 3a17 s ARG 218 N -0.01 2.26 -0.23 3.50 3.52 0.08 -1.15 118.95 126.91 3a17 s ARG 218 Ca -0.00 -1.37 -0.01 0.00 -0.13 0.00 0.00 55.73 54.22 3a17 s ARG 218 Cb -0.14 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3a17 s ARG 218 CO 0.03 -0.63 -0.09 0.45 -0.81 0.00 0.00 175.30 174.25 3a17 s SER 219 N 1.17 4.08 0.30 -2.12 0.15 -1.04 -1.19 113.70 115.05 3a17 s SER 219 Ca -0.06 -0.81 0.10 0.00 0.70 0.00 0.00 55.95 55.87 3a17 s SER 219 Cb -0.20 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 3a17 s SER 219 CO -0.04 -0.09 -0.01 -0.83 1.20 0.00 0.00 173.24 173.46 3a17 s GLY 220 N 1.32 1.85 -0.02 9.45 0.00 -0.17 -1.08 107.32 118.66 3a17 s GLY 220 Ca 0.01 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3a17 s GLY 220 CO -0.06 -1.82 0.02 1.20 0.00 0.00 0.00 173.10 172.44 3a17 s GLN 221 N -3.68 0.10 -0.18 2.90 1.11 0.10 -2.90 119.66 117.12 3a17 s GLN 221 Ca 0.33 0.14 -0.02 0.00 0.01 0.00 0.00 55.36 55.82 3a17 s GLN 221 Cb -0.04 -0.35 0.05 0.00 -1.01 0.00 0.00 33.01 31.67 3a17 s GLN 221 CO 0.19 -0.15 0.01 0.34 0.01 0.00 0.00 175.29 175.69 3a17 s ASP 222 N 1.05 2.85 -0.01 5.90 -1.08 0.88 -0.11 116.67 126.16 3a17 s ASP 222 Ca -0.09 -0.75 0.01 0.00 -0.52 0.00 0.00 52.55 51.19 3a17 s ASP 222 Cb -0.13 -0.70 0.02 0.00 -1.46 0.00 0.00 42.92 40.65 3a17 s ASP 222 CO -0.02 -0.27 0.97 -2.67 0.52 0.00 0.00 175.17 173.70 3a17 n TRP 223 N 4.99 0.00 -0.17 -5.34 2.14 -0.52 -0.76 117.44 117.79 3a17 n TRP 223 Ca -0.10 -0.48 -0.02 0.00 2.07 0.00 0.00 57.50 58.98 3a17 n TRP 223 Cb 0.47 -0.05 0.07 0.00 -0.81 0.00 0.00 31.31 30.99 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 0.00 0.50 -0.51 -1.67 0.00 -1.77 -2.64 119.26 113.17 3a17 h ALA 224 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a17 h ALA 224 Cb 0.57 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3a17 h ALA 224 CO 0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.62 3a17 n ASP 225 N -5.23 3.48 -4.78 0.00 8.00 -1.26 -4.98 116.55 111.78 3a17 n ASP 225 Ca 0.06 -1.98 -0.36 0.00 0.71 0.00 0.00 54.79 53.22 3a17 n ASP 225 Cb 0.28 -0.33 -0.01 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.34 2.90 0.88 2.24 0.00 -1.00 -4.99 121.76 120.46 3a17 s ALA 226 Ca 0.42 0.84 -0.11 0.00 0.00 0.00 0.00 51.96 53.10 3a17 s ALA 226 Cb 0.23 -3.35 0.12 0.00 0.00 0.00 0.00 23.12 20.12 3a17 s ALA 226 CO 0.31 -0.58 1.09 -1.21 0.00 0.00 0.00 175.76 175.37 3a17 s GLU 227 N -2.88 1.38 0.24 0.00 0.41 -1.26 -4.75 118.70 111.84 3a17 s GLU 227 Ca 0.66 0.82 -0.09 0.00 -0.41 0.00 0.00 54.97 55.94 3a17 s GLU 227 Cb -0.25 -1.82 0.38 0.00 -1.78 0.00 0.00 34.13 30.65 3a17 s GLU 227 CO 0.30 -2.15 1.62 0.00 -0.49 0.00 0.00 175.26 174.54 3a17 h ALA 228 N -1.48 0.65 -0.66 5.21 0.00 -1.98 -1.52 119.26 119.47 3a17 h ALA 228 Ca -0.49 0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 3a17 h ALA 228 Cb 1.28 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3a17 h ALA 228 CO 0.55 -0.42 0.16 0.38 0.00 0.00 0.00 179.25 179.91 3a17 h ASP 229 N 0.05 0.98 1.10 0.00 2.03 -1.99 0.93 116.42 119.51 3a17 h ASP 229 Ca 0.39 -0.20 -0.13 0.00 -0.73 0.00 0.00 57.03 56.36 3a17 h ASP 229 Cb 0.65 -0.26 -0.02 0.00 -0.83 0.00 0.00 39.33 38.87 3a17 h ASP 229 CO -0.72 0.95 -0.60 -0.33 -1.03 0.00 0.00 179.24 177.51 3a17 h GLU 230 N 0.99 0.00 -0.48 4.15 5.08 -1.82 -0.05 114.58 122.45 3a17 h GLU 230 Ca 0.21 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 3a17 h GLU 230 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3a17 h GLU 230 CO 0.00 0.60 0.03 0.00 -1.00 0.00 0.00 179.01 178.63 3a17 h ARG 231 N 0.00 0.82 -0.22 2.33 3.08 -0.69 -2.06 114.38 117.64 3a17 h ARG 231 Ca -0.01 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 3a17 h ARG 231 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3a17 h ARG 231 CO 0.08 0.86 0.04 0.77 -1.07 0.00 0.00 179.97 180.65 3a17 h SER 232 N 0.68 0.34 -0.39 7.04 0.02 -0.70 -1.10 113.55 119.44 3a17 h SER 232 Ca 0.14 -0.25 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3a17 h SER 232 Cb 0.47 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.83 3a17 h SER 232 CO 0.02 0.50 -0.44 0.25 -1.14 0.00 0.00 176.83 176.01 3a17 h LEU 233 N 0.16 -1.47 0.09 5.07 5.85 -0.95 0.33 115.31 124.39 3a17 h LEU 233 Ca 0.07 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3a17 h LEU 233 Cb 0.30 0.63 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3a17 h LEU 233 CO 0.00 -0.38 -0.04 0.22 -0.34 0.00 0.00 178.44 177.90 3a17 h TYR 234 N -0.35 -0.11 0.01 1.25 3.20 -1.33 -1.30 116.97 118.34 3a17 h TYR 234 Ca 0.13 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 3a17 h TYR 234 Cb 0.59 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3a17 h TYR 234 CO -0.63 0.11 -0.87 -0.07 -1.64 0.00 0.00 178.16 175.06 3a17 h LEU 235 N -0.32 0.16 0.08 2.82 3.38 -0.97 0.48 115.31 120.93 3a17 h LEU 235 Ca -0.01 -0.13 -0.36 0.00 0.09 0.00 0.00 57.88 57.47 3a17 h LEU 235 Cb 0.27 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3a17 h LEU 235 CO 0.02 0.95 -2.01 0.47 0.09 0.00 0.00 178.44 177.96 3a17 n ASP 236 N -3.61 2.05 -0.08 -0.43 8.00 0.11 -4.35 116.55 118.24 3a17 n ASP 236 Ca -0.03 0.18 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 3a17 n ASP 236 Cb 0.81 -0.79 -0.15 0.00 -0.02 0.00 0.00 41.12 40.97 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 -3.63 0.68 -0.10 -1.24 -0.58 -0.53 -4.61 120.64 110.62 3a17 n GLU 237 Ca -0.36 0.09 -0.16 0.00 -0.42 0.00 0.00 57.16 56.31 3a17 n GLU 237 Cb 0.97 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 30.20 3a17 n GLU 237 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3a17 n ILE 238 N -2.92 1.50 -0.19 -3.67 5.41 -0.93 -4.68 119.36 113.88 3a17 n ILE 238 Ca -0.32 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3a17 n ILE 238 Cb 1.11 -2.19 0.10 0.00 -0.71 0.00 0.00 39.64 37.95 3a17 n ILE 238 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3a17 h LEU 239 N -1.00 -0.00 -1.00 1.39 5.85 -0.25 -1.09 115.31 119.21 3a17 h LEU 239 Ca -0.24 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3a17 h LEU 239 Cb 1.16 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3a17 h LEU 239 CO -0.15 0.01 0.65 -0.65 -0.34 0.00 0.00 178.44 177.96 3a17 h PRO 240 N 0.25 1.11 0.04 5.25 0.11 -1.82 0.48 132.00 137.43 3a17 h PRO 240 Ca 0.31 -0.07 -0.24 0.00 0.11 0.00 0.00 66.00 66.11 3a17 h PRO 240 Cb 0.45 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.31 3a17 h PRO 240 CO -0.40 0.74 -1.04 1.15 -0.21 0.00 0.00 178.00 178.24 3a17 h THR 241 N 1.15 1.43 -0.05 -1.15 2.02 -1.75 -2.08 112.91 112.48 3a17 h THR 241 Ca 0.44 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.99 3a17 h THR 241 Cb 0.22 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 3a17 h THR 241 CO -0.19 0.78 0.02 0.25 0.37 0.00 0.00 175.52 176.75 3a17 h LEU 242 N 0.18 0.03 -0.30 2.58 5.85 -0.70 -1.22 115.31 121.73 3a17 h LEU 242 Ca -0.10 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3a17 h LEU 242 Cb 1.70 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.67 3a17 h LEU 242 CO 0.18 0.03 -0.12 -0.61 -0.34 0.00 0.00 178.44 177.57 3a17 h GLN 243 N 0.05 -0.06 -0.47 1.25 5.75 -0.07 -0.43 115.11 121.13 3a17 h GLN 243 Ca 0.02 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 3a17 h GLN 243 Cb 0.01 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.50 3a17 h GLN 243 CO -0.02 -0.04 0.01 1.03 -2.65 0.00 0.00 178.83 177.15 3a17 h SER 244 N -0.07 -0.19 -0.68 -0.69 0.87 -1.26 0.45 113.55 112.00 3a17 h SER 244 Ca 0.15 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3a17 h SER 244 Cb 0.29 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 3a17 h SER 244 CO -0.34 -0.06 0.40 1.23 -0.53 0.00 0.00 176.83 177.53 3a17 h GLY 245 N 0.12 0.98 1.05 5.77 0.00 -0.57 -1.25 103.07 109.17 3a17 h GLY 245 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3a17 h GLY 245 CO -0.38 0.40 0.11 -0.33 0.00 0.00 0.00 176.54 176.34 3a17 h MET 246 N 0.92 1.04 -0.62 4.80 2.07 -0.74 -2.26 114.93 120.14 3a17 h MET 246 Ca 0.24 -0.27 0.05 0.00 -2.07 0.00 0.00 59.70 57.65 3a17 h MET 246 Cb -0.02 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 29.53 3a17 h MET 246 CO -0.04 0.96 0.33 -0.44 1.07 0.00 0.00 176.91 178.79 3a17 h ASP 247 N 0.95 0.49 -0.39 1.22 3.32 -0.62 0.16 116.42 121.54 3a17 h ASP 247 Ca 0.19 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.28 3a17 h ASP 247 Cb 0.42 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 3a17 h ASP 247 CO 0.01 0.32 0.25 0.15 -1.72 0.00 0.00 179.24 178.25 3a17 h PHE 248 N 0.63 0.47 -0.23 4.55 3.57 -1.05 -0.70 116.94 124.18 3a17 h PHE 248 Ca 0.27 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 3a17 h PHE 248 Cb 0.17 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3a17 h PHE 248 CO -0.09 0.29 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.79 3a17 h LEU 249 N 0.51 0.58 -0.89 0.59 3.38 -1.00 0.25 115.31 118.72 3a17 h LEU 249 Ca 0.15 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3a17 h LEU 249 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3a17 h LEU 249 CO -0.05 0.92 0.06 -0.09 0.09 0.00 0.00 178.44 179.37 3a17 h ARG 250 N 0.44 0.88 0.00 1.13 2.43 -0.46 -2.64 114.38 116.16 3a17 h ARG 250 Ca 0.04 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3a17 h ARG 250 Cb 0.92 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 3a17 h ARG 250 CO 0.08 0.84 -1.05 -0.25 -1.51 0.00 0.00 179.97 178.09 3a17 n ASP 251 N -4.23 0.85 -0.81 -3.80 8.00 -0.29 -4.46 116.55 111.81 3a17 n ASP 251 Ca 0.03 -0.68 0.05 0.00 0.71 0.00 0.00 54.79 54.91 3a17 n ASP 251 Cb 0.28 1.20 0.11 0.00 -0.02 0.00 0.00 41.12 42.69 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 -1.57 1.37 -0.28 -2.24 3.02 0.86 -4.92 115.26 111.49 3a17 n ASN 252 Ca 0.02 -2.93 -0.10 0.00 -0.03 0.00 0.00 54.58 51.53 3a17 n ASN 252 Cb 0.31 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.74 -1.14 1.06 7.41 0.00 -1.63 -2.52 103.07 107.00 3a17 h GLY 253 Ca -0.08 0.82 0.07 0.00 0.00 0.00 0.00 47.33 48.15 3a17 h GLY 253 CO 0.03 -0.15 0.44 -2.55 0.00 0.00 0.00 176.54 174.32 3a17 h PRO 254 N -0.11 0.61 0.00 4.80 0.11 -1.90 0.90 132.00 136.41 3a17 h PRO 254 Ca 0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3a17 h PRO 254 Cb 0.40 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3a17 h PRO 254 CO -0.70 0.40 -0.03 0.00 -0.21 0.00 0.00 178.00 177.46 3a17 h ALA 255 N 1.65 1.12 0.00 -0.75 0.00 -1.84 -3.21 119.26 116.23 3a17 h ALA 255 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a17 h ALA 255 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3a17 h ALA 255 CO -0.09 0.04 0.00 1.33 0.00 0.00 0.00 179.25 180.52 3a17 n VAL 256 N -3.29 0.00 -0.40 0.00 0.24 -0.45 -5.03 118.33 109.40 3a17 n VAL 256 Ca -0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3a17 n VAL 256 Cb 0.16 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 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 0.76 1.31 3.27 7.63 0.00 0.18 -4.78 105.19 113.56 3a17 n GLY 257 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 8.57 0.60 -2.82 0.00 0.05 -1.32 -3.39 116.97 118.65 3a17 h TYR 259 Ca -0.24 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.42 3a17 h TYR 259 Cb 1.09 -0.17 -0.27 0.00 1.01 0.00 0.00 36.73 38.38 3a17 h TYR 259 CO 0.65 0.25 -0.36 0.45 -1.05 0.00 0.00 178.16 178.10 3a17 s SER 260 N -5.53 -0.40 -0.09 3.88 0.15 -1.08 -4.73 113.70 105.91 3a17 s SER 260 Ca -0.13 0.73 0.01 0.00 0.70 0.00 0.00 55.95 57.26 3a17 s SER 260 Cb 0.16 0.64 0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3a17 s SER 260 CO 0.75 -0.17 -0.10 0.21 1.20 0.00 0.00 173.24 175.14 3a17 s ASN 261 N 1.10 1.99 -0.05 5.45 2.47 -1.26 -0.49 114.94 124.15 3a17 s ASN 261 Ca -0.08 -0.31 0.05 0.00 0.42 0.00 0.00 52.86 52.95 3a17 s ASN 261 Cb -0.08 -0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 38.87 3a17 s ASN 261 CO -0.09 -0.04 -0.20 -0.13 -3.72 0.00 0.00 177.10 172.92 3a17 s ARG 262 N 1.19 2.03 -0.29 0.43 0.52 0.60 -4.62 118.95 118.81 3a17 s ARG 262 Ca -0.05 -0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3a17 s ARG 262 Cb -0.14 -1.75 0.06 0.00 0.52 0.00 0.00 34.95 33.64 3a17 s ARG 262 CO -0.03 0.29 -0.03 0.12 0.02 0.00 0.00 175.30 175.67 3a17 s PHE 263 N -0.02 3.29 0.10 -0.53 5.36 -1.26 -0.37 117.98 124.55 3a17 s PHE 263 Ca -0.04 -2.06 0.10 0.00 -0.96 0.00 0.00 56.93 53.96 3a17 s PHE 263 Cb -0.12 -2.11 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3a17 s PHE 263 CO 0.03 -0.84 -0.25 0.14 -1.46 0.00 0.00 175.22 172.84 3a17 s VAL 264 N 1.19 2.06 -0.10 3.12 -7.23 0.01 -4.79 120.40 114.66 3a17 s VAL 264 Ca -0.06 -1.58 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 3a17 s VAL 264 Cb -0.20 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 3a17 s VAL 264 CO -0.03 0.13 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.22 3a17 s ARG 265 N -1.76 3.12 0.46 4.82 6.06 -0.63 -1.43 118.95 129.60 3a17 s ARG 265 Ca 0.11 -0.57 -0.23 0.00 -2.50 0.00 0.00 55.73 52.54 3a17 s ARG 265 Cb -0.10 -2.68 -0.07 0.00 0.06 0.00 0.00 34.95 32.16 3a17 s ARG 265 CO 0.04 0.46 1.18 -0.80 -2.50 0.00 0.00 175.30 173.69 3a17 s ASN 266 N -0.26 6.11 0.11 -2.12 -0.87 0.00 -0.46 114.94 117.46 3a17 s ASN 266 Ca 0.03 2.35 0.04 0.00 -1.57 0.00 0.00 52.86 53.71 3a17 s ASN 266 Cb -0.13 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 3a17 s ASN 266 CO 0.03 -0.96 -0.09 0.27 -2.57 0.00 0.00 177.10 173.77 3a17 s ILE 267 N -1.51 0.97 0.87 0.60 -4.36 0.06 -0.11 121.20 117.72 3a17 s ILE 267 Ca 0.64 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 59.08 3a17 s ILE 267 Cb -0.30 -1.58 0.16 0.00 1.25 0.00 0.00 42.46 41.99 3a17 s ILE 267 CO 0.36 -0.68 1.21 1.51 0.24 0.00 0.00 174.94 177.58 3a17 s ASP 268 N -2.79 3.67 0.55 4.36 1.47 -0.43 -4.37 116.67 119.12 3a17 s ASP 268 Ca 0.10 0.20 0.26 0.00 1.18 0.00 0.00 52.55 54.29 3a17 s ASP 268 Cb 0.00 -0.41 1.44 0.00 -0.34 0.00 0.00 42.92 43.62 3a17 s ASP 268 CO -0.01 -2.36 2.00 -0.29 0.68 0.00 0.00 175.17 175.19 3a17 h ILE 269 N -1.25 0.65 -0.00 2.11 6.09 -1.97 -0.46 117.51 122.67 3a17 h ILE 269 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3a17 h ILE 269 Cb 1.26 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.28 3a17 h ILE 269 CO 0.43 0.00 -0.19 0.47 -3.07 0.00 0.00 178.15 175.79 3a17 n ASP 270 N -4.21 0.21 0.00 2.19 8.00 -1.26 -4.89 116.55 116.59 3a17 n ASP 270 Ca 0.08 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3a17 n ASP 270 Cb 0.57 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 1.49 0.74 3.74 0.44 0.00 -0.18 -5.07 105.19 106.34 3a17 n GLY 271 Ca 0.07 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.27 7.38 0.34 1.61 0.01 -1.26 -4.84 114.94 115.91 3a17 s ASN 272 Ca 0.00 1.65 -0.29 0.00 -0.71 0.00 0.00 52.86 53.51 3a17 s ASN 272 Cb 0.00 -2.53 -0.11 0.00 0.41 0.00 0.00 41.25 39.02 3a17 s ASN 272 CO 0.00 -0.01 1.38 -0.36 -1.51 0.00 0.00 177.10 176.60 3a17 s PHE 273 N -0.12 2.88 0.28 2.20 0.08 -1.26 -1.31 117.98 120.74 3a17 s PHE 273 Ca 0.43 1.29 0.08 0.00 0.12 0.00 0.00 56.93 58.85 3a17 s PHE 273 Cb -0.22 -3.81 -0.04 0.00 -0.57 0.00 0.00 43.02 38.37 3a17 s PHE 273 CO 0.27 -2.33 0.11 -0.51 -0.10 0.00 0.00 175.22 172.66 3a17 s LEU 274 N -1.78 3.43 -0.79 -0.37 1.43 0.85 -4.86 118.68 116.58 3a17 s LEU 274 Ca 0.51 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 53.01 3a17 s LEU 274 Cb -0.42 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.82 3a17 s LEU 274 CO 0.56 -0.11 2.89 0.47 0.23 0.00 0.00 176.35 180.39 3a17 n ASP 275 N -1.08 7.03 -3.81 2.29 8.00 -1.26 -4.40 116.55 123.32 3a17 n ASP 275 Ca -0.06 -2.92 -0.13 0.00 0.71 0.00 0.00 54.79 52.40 3a17 n ASP 275 Cb 0.59 -1.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.19 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 -1.28 1.31 0.21 0.64 1.02 -1.26 -1.43 118.68 117.89 3a17 s LEU 276 Ca 0.61 0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.98 3a17 s LEU 276 Cb 0.28 0.41 -0.03 0.00 0.02 0.00 0.00 46.19 46.87 3a17 s LEU 276 CO -0.11 -0.07 0.23 -0.94 0.02 0.00 0.00 176.35 175.48 3a17 s SER 277 N 0.35 0.08 0.16 2.29 1.04 0.84 -0.82 113.70 117.64 3a17 s SER 277 Ca -0.02 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 54.92 3a17 s SER 277 Cb -0.04 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.59 3a17 s SER 277 CO -0.01 -0.92 0.66 -0.72 0.98 0.00 0.00 173.24 173.22 3a17 s TYR 278 N -4.12 -0.46 0.16 5.02 1.13 -0.51 0.01 117.35 118.58 3a17 s TYR 278 Ca 0.34 0.23 -0.26 0.00 -1.41 0.00 0.00 57.07 55.96 3a17 s TYR 278 Cb 0.05 0.58 -0.08 0.00 -1.10 0.00 0.00 41.96 41.41 3a17 s TYR 278 CO 0.11 -0.87 0.81 1.21 -2.51 0.00 0.00 175.55 174.30 3a17 s ASN 279 N -2.75 7.42 -0.26 -0.18 3.04 -0.24 -0.81 114.94 121.17 3a17 s ASN 279 Ca 0.03 1.69 0.03 0.00 0.04 0.00 0.00 52.86 54.65 3a17 s ASN 279 Cb -0.02 -2.52 0.06 0.00 -1.54 0.00 0.00 41.25 37.23 3a17 s ASN 279 CO -0.10 0.16 -0.11 -0.63 -3.04 0.00 0.00 177.10 173.39 3a17 s ILE 280 N -0.97 2.15 -0.16 -5.21 1.01 0.50 -2.49 121.20 116.03 3a17 s ILE 280 Ca 0.38 -1.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.41 3a17 s ILE 280 Cb -0.23 -2.26 0.04 0.00 0.01 0.00 0.00 42.46 40.02 3a17 s ILE 280 CO 0.27 -0.02 -0.06 -0.83 0.00 0.00 0.00 174.94 174.29 3a17 s GLY 281 N 1.11 0.96 -0.12 6.18 0.00 -0.30 -0.29 107.32 114.85 3a17 s GLY 281 Ca -0.09 -0.80 -0.17 0.00 0.00 0.00 0.00 44.72 43.67 3a17 s GLY 281 CO -0.05 0.88 0.42 0.30 0.00 0.00 0.00 173.10 174.65 3a17 s HIS 282 N 1.63 3.51 0.15 1.90 3.76 0.36 -1.48 115.29 125.13 3a17 s HIS 282 Ca 0.02 0.82 0.11 0.00 -0.15 0.00 0.00 55.06 55.85 3a17 s HIS 282 Cb -0.15 -2.48 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 3a17 s HIS 282 CO -0.08 0.22 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.21 3a17 s TRP 283 N 0.45 2.22 0.40 1.40 0.52 0.11 -0.92 118.94 123.13 3a17 s TRP 283 Ca 0.23 -0.38 0.17 0.00 0.02 0.00 0.00 56.10 56.14 3a17 s TRP 283 Cb -0.15 -1.16 1.00 0.00 -1.15 0.00 0.00 33.47 32.01 3a17 s TRP 283 CO 0.09 0.39 1.94 0.00 0.02 0.00 0.00 176.95 179.39 3a17 h ALA 284 N 3.59 1.46 -2.64 0.98 0.00 -0.76 -2.51 119.26 119.38 3a17 h ALA 284 Ca -0.48 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3a17 h ALA 284 Cb 1.19 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 3a17 h ALA 284 CO 0.43 0.30 0.22 -1.54 0.00 0.00 0.00 179.25 178.67 3a17 s SER 285 N -6.75 -0.59 0.28 0.00 1.04 -1.26 -4.58 113.70 101.84 3a17 s SER 285 Ca -0.03 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3a17 s SER 285 Cb 0.14 0.57 0.42 0.00 0.10 0.00 0.00 66.02 67.25 3a17 s SER 285 CO 0.68 -0.83 1.79 0.25 0.98 0.00 0.00 173.24 176.10 3a17 h LEU 286 N 2.32 0.66 -1.01 2.42 5.85 -1.84 -2.76 115.31 120.95 3a17 h LEU 286 Ca -0.31 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.24 3a17 h LEU 286 Cb 1.25 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 3a17 h LEU 286 CO 0.38 0.74 0.49 -2.24 -0.34 0.00 0.00 178.44 177.48 3a17 h ASP 287 N 0.65 1.05 -0.14 1.25 2.03 -1.95 0.00 116.42 119.31 3a17 h ASP 287 Ca 0.13 -0.08 -0.13 0.00 -0.73 0.00 0.00 57.03 56.23 3a17 h ASP 287 Cb 0.44 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 3a17 h ASP 287 CO 0.02 0.83 -0.33 1.56 -1.03 0.00 0.00 179.24 180.29 3a17 h GLN 288 N 1.20 0.64 -0.29 4.15 4.20 -1.83 0.23 115.11 123.41 3a17 h GLN 288 Ca 0.31 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3a17 h GLN 288 Cb -0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3a17 h GLN 288 CO -0.05 0.89 0.06 1.25 -0.67 0.00 0.00 178.83 180.30 3a17 h LEU 289 N 0.54 0.45 -0.47 1.46 5.85 -1.32 -1.94 115.31 119.88 3a17 h LEU 289 Ca 0.06 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3a17 h LEU 289 Cb 0.83 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3a17 h LEU 289 CO 0.07 0.58 0.11 -0.33 -0.34 0.00 0.00 178.44 178.53 3a17 h GLU 290 N 0.30 0.25 -0.50 1.25 5.08 -0.62 -2.14 114.58 118.20 3a17 h GLU 290 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3a17 h GLU 290 Cb 0.31 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3a17 h GLU 290 CO 0.00 0.17 0.23 0.00 -1.00 0.00 0.00 179.01 178.41 3a17 h ARG 291 N 0.26 0.72 -0.27 2.33 2.47 -0.39 -2.80 114.38 116.70 3a17 h ARG 291 Ca 0.23 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 3a17 h ARG 291 Cb 0.28 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3a17 h ARG 291 CO -0.28 0.61 0.13 2.35 0.56 0.00 0.00 179.97 183.33 3a17 h TRP 292 N 0.66 0.39 0.00 3.04 7.01 -1.18 -2.82 115.95 123.05 3a17 h TRP 292 Ca 0.17 -0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 3a17 h TRP 292 Cb 0.13 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3a17 h TRP 292 CO -0.00 0.36 -0.38 0.66 -2.79 0.00 0.00 178.44 176.29 3a17 h SER 293 N 0.30 0.00 0.12 2.65 4.64 -1.28 0.57 113.55 120.54 3a17 h SER 293 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3a17 h SER 293 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3a17 h SER 293 CO -0.01 0.38 -0.51 -1.84 -0.87 0.00 0.00 176.83 173.99 3a17 n GLU 294 N -3.59 0.76 0.00 4.77 0.28 -1.07 -4.34 120.64 117.45 3a17 n GLU 294 Ca -0.00 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 3a17 n GLU 294 Cb 0.50 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.88 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 -0.63 2.44 -4.72 -1.84 3.41 -1.07 -5.00 113.62 106.21 3a17 n SER 295 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 3a17 n SER 295 Cb 0.39 0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.73 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 -1.12 3.65 0.53 7.33 2.46 0.17 -4.94 115.29 123.37 3a17 s HIS 296 Ca 0.00 1.63 0.20 0.00 0.47 0.00 0.00 55.06 57.36 3a17 s HIS 296 Cb 0.00 -3.19 1.35 0.00 -0.13 0.00 0.00 32.58 30.62 3a17 s HIS 296 CO 0.00 -0.29 2.11 -1.35 -2.47 0.00 0.00 174.74 172.74 3a17 h PRO 297 N 6.21 0.00 0.67 2.88 0.11 -1.96 -1.16 132.00 138.74 3a17 h PRO 297 Ca -0.42 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3a17 h PRO 297 Cb 1.22 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 3a17 h PRO 297 CO 0.75 0.00 -0.32 1.79 -0.21 0.00 0.00 178.00 180.01 3a17 h THR 298 N 0.00 0.12 -0.98 -1.15 1.35 -1.92 -0.49 112.91 109.85 3a17 h THR 298 Ca 0.07 -0.31 0.02 0.00 -0.55 0.00 0.00 66.41 65.64 3a17 h THR 298 Cb 0.29 0.17 -0.05 0.00 -1.73 0.00 0.00 68.15 66.83 3a17 h THR 298 CO -0.00 0.02 0.64 -0.74 -0.25 0.00 0.00 175.52 175.19 3a17 h HIS 299 N -1.17 1.21 -0.51 4.73 -0.00 -1.82 -2.81 115.15 114.79 3a17 h HIS 299 Ca -0.09 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.26 3a17 h HIS 299 Cb 0.71 -0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 3a17 h HIS 299 CO 0.00 0.73 0.15 -0.07 -0.00 0.00 0.00 177.93 178.75 3a17 h LEU 300 N 1.28 0.75 -0.23 0.26 3.38 -1.21 -0.89 115.31 118.65 3a17 h LEU 300 Ca 0.37 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3a17 h LEU 300 Cb -0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3a17 h LEU 300 CO -0.10 0.77 -0.18 -0.09 0.09 0.00 0.00 178.44 178.93 3a17 h ARG 301 N 0.69 -0.17 -0.00 1.13 2.43 -0.91 -1.34 114.38 116.21 3a17 h ARG 301 Ca 0.16 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 3a17 h ARG 301 Cb 0.29 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3a17 h ARG 301 CO -0.00 -0.11 -0.72 -0.84 -1.51 0.00 0.00 179.97 176.78 3a17 h ILE 302 N -0.18 1.50 -0.42 1.20 3.07 -1.39 -2.38 117.51 118.92 3a17 h ILE 302 Ca 0.13 -2.43 0.03 0.00 1.55 0.00 0.00 64.86 64.15 3a17 h ILE 302 Cb 0.37 2.31 -0.03 0.00 -0.27 0.00 0.00 36.82 39.20 3a17 h ILE 302 CO -0.34 0.70 0.21 0.15 -1.05 0.00 0.00 178.15 177.82 3a17 h PHE 303 N 0.02 0.39 -0.12 0.16 3.04 -0.93 -1.43 116.94 118.09 3a17 h PHE 303 Ca -0.01 0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 3a17 h PHE 303 Cb 1.27 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.65 3a17 h PHE 303 CO 0.00 0.21 -0.40 1.79 -2.02 0.00 0.00 178.31 177.89 3a17 h THR 304 N 0.43 1.30 -0.20 4.41 1.35 -1.07 -1.92 112.91 117.22 3a17 h THR 304 Ca 0.18 -1.49 -0.01 0.00 -0.55 0.00 0.00 66.41 64.54 3a17 h THR 304 Cb 0.07 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3a17 h THR 304 CO -0.12 0.45 0.08 0.74 -0.25 0.00 0.00 175.52 176.42 3a17 h THR 305 N 0.21 1.16 -0.09 6.82 2.02 -1.14 -1.58 112.91 120.32 3a17 h THR 305 Ca 0.02 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.74 3a17 h THR 305 Cb 0.80 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.29 3a17 h THR 305 CO 0.06 0.16 -0.12 0.15 0.37 0.00 0.00 175.52 176.14 3a17 h PHE 306 N 0.17 -0.29 -0.93 3.16 3.04 -1.09 -0.52 116.94 120.49 3a17 h PHE 306 Ca 0.07 0.02 0.22 0.00 3.98 0.00 0.00 57.97 62.25 3a17 h PHE 306 Cb 0.17 0.14 -0.07 0.00 2.56 0.00 0.00 35.95 38.76 3a17 h PHE 306 CO -0.01 -0.17 0.62 0.74 -2.02 0.00 0.00 178.31 177.46 3a17 h PHE 307 N -0.15 0.50 0.02 0.41 -1.00 -1.25 0.54 116.94 116.02 3a17 h PHE 307 Ca 0.07 0.02 -0.22 0.00 2.81 0.00 0.00 57.97 60.65 3a17 h PHE 307 Cb 0.26 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3a17 h PHE 307 CO -0.22 0.12 -0.97 -0.09 -1.61 0.00 0.00 178.31 175.54 3a17 h ARG 308 N 0.36 0.27 0.00 1.51 2.43 -0.28 -3.35 114.38 115.32 3a17 h ARG 308 Ca 0.49 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3a17 h ARG 308 Cb 1.28 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3a17 h ARG 308 CO -0.18 1.05 -0.83 1.33 -1.51 0.00 0.00 179.97 179.83 3a17 n VAL 309 N -3.65 0.00 -0.34 0.20 0.24 -0.30 -4.66 118.33 109.82 3a17 n VAL 309 Ca -0.05 -0.10 0.18 0.00 -2.04 0.00 0.00 64.34 62.33 3a17 n VAL 309 Cb 0.86 0.98 0.39 0.00 -1.47 0.00 0.00 33.84 34.60 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 2.43 1.78 -0.53 2.33 0.00 -0.08 -2.23 119.26 122.96 3a17 h ALA 310 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3a17 h ALA 310 Cb 0.42 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 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 1.75 1.30 0.00 0.00 0.00 -1.84 -3.20 119.26 117.27 3a17 h ALA 311 Ca 0.65 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3a17 h ALA 311 Cb 1.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 311 CO -0.50 0.50 -0.03 0.41 0.00 0.00 0.00 179.25 179.64 3a17 n GLY 312 N -0.98 4.49 3.71 0.00 0.00 -1.05 -5.00 105.19 106.36 3a17 n GLY 312 Ca 0.04 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 3a17 n GLY 312 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a17 n LEU 313 N -1.29 3.87 0.00 0.99 7.94 -0.87 -4.93 117.00 122.71 3a17 n LEU 313 Ca 0.14 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.15 3a17 n LEU 313 Cb 0.62 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3a17 n LEU 313 CO 0.01 0.00 -0.49 -0.24 -1.11 0.00 0.00 177.39 175.56 3a17 n SER 314 N 2.94 0.76 0.00 1.96 2.88 -1.26 -4.96 113.62 115.94 3a17 n SER 314 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3a17 n SER 314 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 -2.89 2.24 -1.80 -1.46 5.02 -1.26 -5.03 118.16 112.99 3a17 n LYS 315 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3a17 n LYS 315 Cb 0.49 -0.82 -0.02 0.00 -0.02 0.00 0.00 35.03 34.66 3a17 n LYS 315 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3a17 s LEU 316 N -2.02 4.36 -0.22 -0.35 2.96 -1.26 -4.60 118.68 117.55 3a17 s LEU 316 Ca 0.00 2.85 0.02 0.00 -0.22 0.00 0.00 54.13 56.78 3a17 s LEU 316 Cb 0.00 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.12 3a17 s LEU 316 CO 0.00 -0.91 -0.12 -0.13 -1.32 0.00 0.00 176.35 173.87 3a17 s ARG 317 N 0.41 2.24 0.02 1.98 0.52 0.06 -4.98 118.95 119.21 3a17 s ARG 317 Ca 0.69 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 3a17 s ARG 317 Cb -0.48 -2.61 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 3a17 s ARG 317 CO 0.39 -0.45 -0.21 -0.51 0.02 0.00 0.00 175.30 174.54 3a17 s LEU 318 N 1.28 2.11 0.25 2.53 1.43 -1.26 -0.08 118.68 124.94 3a17 s LEU 318 Ca -0.03 -0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 52.38 3a17 s LEU 318 Cb -0.17 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.03 3a17 s LEU 318 CO -0.08 0.21 0.74 -0.72 0.23 0.00 0.00 176.35 176.73 3a17 s TYR 319 N -0.67 -0.22 0.17 0.29 1.13 -1.14 -2.14 117.35 114.77 3a17 s TYR 319 Ca 0.08 -0.18 -0.14 0.00 -1.41 0.00 0.00 57.07 55.42 3a17 s TYR 319 Cb -0.09 0.68 0.01 0.00 -1.10 0.00 0.00 41.96 41.47 3a17 s TYR 319 CO 0.01 -1.13 0.41 -3.38 -2.51 0.00 0.00 175.55 168.95 3a17 s HIS 320 N -3.81 0.07 -0.02 -3.49 -3.43 -0.13 -1.00 115.29 103.47 3a17 s HIS 320 Ca 0.10 -0.42 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 3a17 s HIS 320 Cb -0.05 0.20 0.01 0.00 -1.43 0.00 0.00 32.58 31.31 3a17 s HIS 320 CO 0.04 -0.81 -0.04 -1.83 -2.00 0.00 0.00 174.74 170.10 3a17 s GLU 321 N -3.90 0.53 -0.04 -0.38 -1.05 -0.33 -0.96 118.70 112.57 3a17 s GLU 321 Ca 0.11 -0.09 0.02 0.00 -0.15 0.00 0.00 54.97 54.86 3a17 s GLU 321 Cb 0.01 -0.57 0.01 0.00 -0.44 0.00 0.00 34.13 33.14 3a17 s GLU 321 CO -0.03 -0.01 -0.09 0.08 0.95 0.00 0.00 175.26 176.15 3a17 s VAL 322 N 0.51 0.85 0.11 1.83 1.01 -0.33 -0.74 120.40 123.65 3a17 s VAL 322 Ca -0.06 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3a17 s VAL 322 Cb -0.09 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3a17 s VAL 322 CO -0.00 0.28 -0.13 -0.44 0.00 0.00 0.00 175.10 174.80 3a17 s SER 323 N 0.41 1.86 0.09 3.32 0.01 0.72 -0.97 113.70 119.14 3a17 s SER 323 Ca -0.07 -0.79 0.07 0.00 1.31 0.00 0.00 55.95 56.47 3a17 s SER 323 Cb -0.11 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 3a17 s SER 323 CO 0.01 -0.16 -0.19 0.68 0.41 0.00 0.00 173.24 173.99 3a17 s VAL 324 N -2.10 1.58 0.05 3.43 -7.23 -0.07 -1.08 120.40 114.98 3a17 s VAL 324 Ca 0.07 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 3a17 s VAL 324 Cb -0.05 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 3a17 s VAL 324 CO 0.02 -0.07 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.28 3a17 s PHE 325 N -1.14 0.93 0.56 2.82 0.08 -1.14 -4.57 117.98 115.53 3a17 s PHE 325 Ca 0.05 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.48 3a17 s PHE 325 Cb -0.10 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 3a17 s PHE 325 CO 0.04 -0.01 1.19 -0.51 -0.10 0.00 0.00 175.22 175.83 3a17 s ASP 326 N -1.43 5.43 0.31 1.36 1.01 -1.26 -0.04 116.67 122.05 3a17 s ASP 326 Ca -0.04 2.35 0.07 0.00 0.71 0.00 0.00 52.55 55.63 3a17 s ASP 326 Cb -0.09 -2.60 0.87 0.00 1.01 0.00 0.00 42.92 42.12 3a17 s ASP 326 CO 0.01 -1.42 1.63 0.00 0.21 0.00 0.00 175.17 175.59 3a17 h ALA 327 N 1.13 1.50 0.00 5.23 0.00 -1.83 -0.15 119.26 125.14 3a17 h ALA 327 Ca -0.50 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a17 h ALA 327 Cb 1.28 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3a17 h ALA 327 CO 0.56 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3a17 n ALA 328 N -2.65 1.65 -1.03 0.00 0.00 -1.26 -2.89 120.51 114.32 3a17 n ALA 328 Ca 0.26 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.70 3a17 n ALA 328 Cb 0.83 -1.25 0.30 0.00 0.00 0.00 0.00 19.45 19.34 3a17 n ALA 328 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3a17 n ASP 329 N -1.61 4.48 -4.10 0.00 8.00 -0.07 -4.95 116.55 118.30 3a17 n ASP 329 Ca 0.03 -3.12 -0.21 0.00 0.71 0.00 0.00 54.79 52.20 3a17 n ASP 329 Cb 0.17 -0.64 -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 -2.90 1.03 -0.08 -1.24 -0.21 -1.14 -0.85 119.66 114.26 3a17 s GLN 330 Ca 0.49 -0.52 -0.03 0.00 0.02 0.00 0.00 55.36 55.32 3a17 s GLN 330 Cb 0.39 -1.00 0.04 0.00 1.00 0.00 0.00 33.01 33.45 3a17 s GLN 330 CO 0.11 0.27 0.11 -1.17 -2.12 0.00 0.00 175.29 172.49 3a17 s LEU 331 N -0.46 0.08 -0.35 2.90 0.20 0.17 -4.66 118.68 116.56 3a17 s LEU 331 Ca 0.04 0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.93 3a17 s LEU 331 Cb -0.06 0.01 0.10 0.00 -0.43 0.00 0.00 46.19 45.82 3a17 s LEU 331 CO -0.00 -0.27 0.09 -0.31 -0.29 0.00 0.00 176.35 175.57 3a17 s TYR 332 N 2.21 2.89 -0.11 5.38 2.02 -1.21 -0.68 117.35 127.85 3a17 s TYR 332 Ca 0.04 -2.54 -0.02 0.00 -0.37 0.00 0.00 57.07 54.18 3a17 s TYR 332 Cb -0.13 -2.43 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3a17 s TYR 332 CO -0.05 -0.90 -0.02 -1.21 -1.57 0.00 0.00 175.55 171.80 3a17 s GLU 333 N 1.03 3.23 -0.05 -0.62 2.02 -0.07 -1.04 118.70 123.19 3a17 s GLU 333 Ca 0.11 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.65 3a17 s GLU 333 Cb -0.19 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.23 3a17 s GLU 333 CO -0.13 0.53 -0.05 0.71 0.02 0.00 0.00 175.26 176.34 3a17 s TYR 334 N -0.41 0.83 -0.21 1.61 1.51 0.57 -1.07 117.35 120.18 3a17 s TYR 334 Ca 0.07 -0.26 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 3a17 s TYR 334 Cb -0.12 -0.74 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 3a17 s TYR 334 CO 0.02 -0.23 -0.14 0.42 -1.11 0.00 0.00 175.55 174.51 3a17 s ILE 335 N 1.06 1.94 -1.41 2.71 1.01 0.63 0.25 121.20 127.39 3a17 s ILE 335 Ca -0.09 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3a17 s ILE 335 Cb -0.14 -1.92 0.07 0.00 0.01 0.00 0.00 42.46 40.48 3a17 s ILE 335 CO -0.01 0.25 0.64 0.59 0.00 0.00 0.00 174.94 176.41 3a17 n ASN 336 N 4.59 -4.35 -4.88 3.58 3.02 0.74 -0.33 115.26 117.63 3a17 n ASN 336 Ca -0.17 -0.49 -0.34 0.00 -0.03 0.00 0.00 54.58 53.55 3a17 n ASN 336 Cb 0.47 -3.55 -0.05 0.00 -0.61 0.00 0.00 39.78 36.03 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 -1.38 2.10 -0.87 0.00 -3.43 -1.26 -4.86 115.29 105.59 3a17 s HIS 338 Ca 0.31 1.56 0.00 0.00 -0.80 0.00 0.00 55.06 56.13 3a17 s HIS 338 Cb -0.13 -3.53 0.00 0.00 -1.43 0.00 0.00 32.58 27.49 3a17 s HIS 338 CO 0.18 -2.63 0.94 -2.30 -2.00 0.00 0.00 174.74 168.93 3a17 n PRO 339 N -2.37 0.00 -0.48 -0.38 -0.02 -1.26 -1.69 135.00 128.79 3a17 n PRO 339 Ca 0.14 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 62.15 3a17 n PRO 339 Cb 0.50 -1.56 0.31 0.00 -0.02 0.00 0.00 33.50 32.72 3a17 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a17 n GLY 340 N -1.44 2.85 3.65 -1.23 0.00 -1.26 -2.46 105.19 105.29 3a17 n GLY 340 Ca -0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 -1.66 4.94 0.00 2.61 2.01 -0.68 -4.59 115.64 118.27 3a17 s THR 341 Ca 0.45 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.79 3a17 s THR 341 Cb 0.28 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.78 3a17 s THR 341 CO 0.23 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 3a17 n GLY 342 N 3.85 3.72 0.05 4.40 0.00 -1.26 -1.63 105.19 114.32 3a17 n GLY 342 Ca 0.02 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 14.00 0.12 -0.29 1.61 2.81 -1.26 -3.66 117.12 130.45 3a17 n MET 343 Ca 0.00 0.15 -0.04 0.00 -1.81 0.00 0.00 57.70 56.00 3a17 n MET 343 Cb 0.00 -1.65 0.07 0.00 -0.71 0.00 0.00 33.22 30.93 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 0.91 -0.20 4.03 3.38 -1.58 -2.69 115.31 119.16 3a17 h LEU 344 Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3a17 h LEU 344 Cb 0.56 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 3a17 h LEU 344 CO 0.00 0.66 -0.09 -0.09 0.09 0.00 0.00 178.44 179.01 3a17 h ARG 345 N 1.08 -0.06 -0.00 1.13 2.43 -1.55 -3.15 114.38 114.25 3a17 h ARG 345 Ca 0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3a17 h ARG 345 Cb -0.12 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 3a17 h ARG 345 CO -0.06 -0.04 -0.82 -0.25 -1.51 0.00 0.00 179.97 177.29 3a17 n ASP 346 N -5.25 1.14 -4.77 -3.80 9.92 -1.23 -4.96 116.55 107.61 3a17 n ASP 346 Ca -0.02 -1.01 -0.41 0.00 -0.53 0.00 0.00 54.79 52.82 3a17 n ASP 346 Cb 0.17 0.78 -0.02 0.00 -0.64 0.00 0.00 41.12 41.41 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a17 s ALA 347 N -2.88 3.52 0.11 2.24 0.00 -1.02 -4.87 121.76 118.87 3a17 s ALA 347 Ca 0.11 1.31 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 3a17 s ALA 347 Cb 0.17 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.72 3a17 s ALA 347 CO 0.78 -0.71 1.18 0.14 0.00 0.00 0.00 175.76 177.15 3a17 s VAL 348 N -1.03 3.89 0.63 0.00 -7.23 -0.10 -4.81 120.40 111.76 3a17 s VAL 348 Ca 0.50 1.46 -0.12 0.00 -1.81 0.00 0.00 61.98 62.01 3a17 s VAL 348 Cb -0.41 -3.93 -0.03 0.00 0.56 0.00 0.00 36.38 32.57 3a17 s VAL 348 CO 0.53 0.17 1.04 0.42 -0.31 0.00 0.00 175.10 176.95 3a17 s THR 349 N 0.53 4.30 0.52 5.32 -4.23 -1.26 -1.20 115.64 119.62 3a17 s THR 349 Ca 0.55 0.85 0.28 0.00 -1.18 0.00 0.00 61.69 62.19 3a17 s THR 349 Cb -0.30 -3.60 0.33 0.00 1.34 0.00 0.00 72.50 70.26 3a17 s THR 349 CO 0.32 -0.88 2.18 -0.29 -0.54 0.00 0.00 174.62 175.41 3a17 h ILE 350 N -0.17 0.57 0.00 2.99 6.09 -1.86 -3.46 117.51 121.67 3a17 h ILE 350 Ca -0.45 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 3a17 h ILE 350 Cb 1.20 1.14 0.00 0.00 0.47 0.00 0.00 36.82 39.63 3a17 h ILE 350 CO 0.59 0.05 0.00 0.00 -3.07 0.00 0.00 178.15 175.72