#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a17 s GLY -7 N 0.00 1.55 0.28 5.00 0.00 -1.26 -4.95 107.32 107.94 3a17 s GLY -7 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.40 3a17 s GLY -7 CO 0.00 0.40 1.93 -2.00 0.00 0.00 0.00 173.10 173.43 3a17 h LEU -6 N -2.34 0.96 -7.66 0.66 5.85 -2.07 -3.37 115.31 107.35 3a17 h LEU -6 Ca -0.59 -0.06 -0.65 0.00 0.84 0.00 0.00 57.88 57.42 3a17 h LEU -6 Cb 1.34 -0.24 -0.39 0.00 0.37 0.00 0.00 40.66 41.73 3a17 h LEU -6 CO 0.54 0.74 -0.74 -0.69 -0.34 0.00 0.00 178.44 177.95 3a17 s VAL -5 N -5.81 2.07 0.44 1.05 1.01 -1.26 -5.11 120.40 112.79 3a17 s VAL -5 Ca -0.12 -2.07 -0.24 0.00 0.00 0.00 0.00 61.98 59.55 3a17 s VAL -5 Cb 0.17 -2.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 3a17 s VAL -5 CO 0.80 -0.49 1.26 -2.84 0.00 0.00 0.00 175.10 173.83 3a17 s PRO -4 N 1.04 3.78 0.27 2.72 0.02 -1.26 -5.05 135.00 136.51 3a17 s PRO -4 Ca 0.07 2.02 0.02 0.00 0.02 0.00 0.00 61.00 63.13 3a17 s PRO -4 Cb -0.19 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.73 3a17 s PRO -4 CO -0.09 -0.61 0.17 1.03 -0.33 0.00 0.00 177.00 177.17 3a17 s ARG -3 N -2.49 1.48 5.80 5.54 1.81 -1.26 -4.57 118.95 125.26 3a17 s ARG -3 Ca 0.61 -1.82 0.00 0.00 -1.72 0.00 0.00 55.73 52.80 3a17 s ARG -3 Cb -0.35 0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.27 3a17 s ARG -3 CO 0.43 -0.46 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 3a17 n GLY -2 N -0.47 3.32 0.00 -3.53 0.00 -1.26 -1.28 105.19 101.98 3a17 n GLY -2 Ca 0.03 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3a17 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a17 n SER -1 N 3.88 0.00 0.07 1.61 3.41 -0.68 -2.57 113.62 119.33 3a17 n SER -1 Ca 0.00 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 3a17 n SER -1 Cb 0.00 -0.47 0.28 0.00 -0.26 0.00 0.00 64.21 63.76 3a17 n SER -1 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3a17 n HIS 0 N -1.47 0.67 -1.83 7.33 8.25 -0.40 -4.88 115.22 122.88 3a17 n HIS 0 Ca 0.06 0.19 -0.36 0.00 -0.26 0.00 0.00 57.72 57.36 3a17 n HIS 0 Cb 0.25 -0.75 0.05 0.00 1.12 0.00 0.00 29.99 30.67 3a17 n HIS 0 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3a17 s MET 1 N -3.13 2.71 0.76 -0.41 -1.94 -1.06 -4.68 119.30 111.55 3a17 s MET 1 Ca 0.08 1.90 -0.15 0.00 -1.71 0.00 0.00 55.69 55.82 3a17 s MET 1 Cb 0.13 -1.89 0.06 0.00 2.01 0.00 0.00 34.83 35.14 3a17 s MET 1 CO 0.67 -1.43 1.23 -1.21 -0.01 0.00 0.00 175.02 174.26 3a17 s GLU 2 N -3.43 1.89 0.09 2.03 2.02 -1.15 -4.80 118.70 115.35 3a17 s GLU 2 Ca 0.79 1.84 0.01 0.00 0.02 0.00 0.00 54.97 57.63 3a17 s GLU 2 Cb -0.33 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 3a17 s GLU 2 CO 0.37 -2.04 0.22 0.45 0.02 0.00 0.00 175.26 174.28 3a17 s SER 3 N -1.95 6.29 0.38 -0.19 0.15 -1.26 -1.56 113.70 115.56 3a17 s SER 3 Ca 0.76 0.22 0.09 0.00 0.70 0.00 0.00 55.95 57.71 3a17 s SER 3 Cb -0.31 -1.91 0.76 0.00 -1.71 0.00 0.00 66.02 62.85 3a17 s SER 3 CO 0.47 0.13 1.91 0.00 1.20 0.00 0.00 173.24 176.96 3a17 h ALA 4 N 2.80 1.49 -2.15 5.45 0.00 -1.93 -3.43 119.26 121.49 3a17 h ALA 4 Ca -0.46 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 3a17 h ALA 4 Cb 1.17 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3a17 h ALA 4 CO 0.73 0.36 0.71 0.42 0.00 0.00 0.00 179.25 181.47 3a17 s ILE 5 N -4.75 4.71 0.46 0.00 1.01 -1.26 -4.98 121.20 116.38 3a17 s ILE 5 Ca -0.06 2.02 -0.23 0.00 0.00 0.00 0.00 60.65 62.39 3a17 s ILE 5 Cb 0.15 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 3a17 s ILE 5 CO 0.74 -0.11 0.89 0.61 0.00 0.00 0.00 174.94 177.06 3a17 n GLY 6 N 3.24 -0.54 0.10 6.18 0.00 -1.26 -4.81 105.19 108.10 3a17 n GLY 6 Ca 0.11 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 1.16 0.05 0.00 1.61 4.81 -1.95 -0.60 114.58 119.66 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 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3a17 h GLU 7 CO 0.54 0.03 0.00 -2.39 -0.73 0.00 0.00 179.01 176.46 3a17 n HIS 8 N -5.15 0.31 0.82 0.92 1.44 -1.26 -2.38 115.22 109.91 3a17 n HIS 8 Ca -0.03 0.13 0.09 0.00 -2.01 0.00 0.00 57.72 55.90 3a17 n HIS 8 Cb 0.11 -0.71 0.01 0.00 0.12 0.00 0.00 29.99 29.53 3a17 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a17 n LEU 9 N -1.79 1.95 -4.78 2.39 4.77 -0.27 -4.97 117.00 114.31 3a17 n LEU 9 Ca 0.02 -0.81 -0.37 0.00 -0.03 0.00 0.00 56.01 54.82 3a17 n LEU 9 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3a17 n LEU 9 CO 0.13 0.36 0.69 -1.10 -1.33 0.00 0.00 177.39 176.14 3a17 s GLN 10 N -2.01 4.47 0.33 3.23 -0.21 -1.00 -4.93 119.66 119.53 3a17 s GLN 10 Ca 0.17 1.42 -0.03 0.00 0.02 0.00 0.00 55.36 56.93 3a17 s GLN 10 Cb 0.15 -2.75 -0.00 0.00 1.00 0.00 0.00 33.01 31.41 3a17 s GLN 10 CO 0.42 0.15 0.46 0.00 -2.12 0.00 0.00 175.29 174.20 3a17 s PRO 12 N -3.21 4.19 0.25 0.00 0.02 -1.26 -4.98 135.00 130.01 3a17 s PRO 12 Ca 0.30 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.36 3a17 s PRO 12 Cb -0.00 -3.68 -0.09 0.00 0.02 0.00 0.00 34.50 30.75 3a17 s PRO 12 CO 0.19 -0.76 1.20 1.03 -0.33 0.00 0.00 177.00 178.32 3a17 s ARG 13 N 2.93 4.51 -0.08 5.54 0.52 -1.26 -4.86 118.95 126.24 3a17 s ARG 13 Ca 0.75 1.94 0.14 0.00 -0.52 0.00 0.00 55.73 58.03 3a17 s ARG 13 Cb -0.39 -3.18 -0.20 0.00 0.52 0.00 0.00 34.95 31.69 3a17 s ARG 13 CO 0.32 -0.01 0.18 0.25 0.02 0.00 0.00 175.30 176.06 3a17 n THR 14 N 1.68 0.51 -4.16 0.02 -2.24 0.31 -4.93 114.28 105.48 3a17 n THR 14 Ca 0.02 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 3a17 n THR 14 Cb 0.44 -0.26 -0.13 0.00 -2.10 0.00 0.00 70.33 68.28 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 -4.58 3.10 0.57 3.22 1.43 -0.57 -5.00 118.68 116.85 3a17 s LEU 15 Ca -0.06 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3a17 s LEU 15 Cb 0.07 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3a17 s LEU 15 CO 0.61 0.07 0.83 0.42 0.23 0.00 0.00 176.35 178.50 3a17 s THR 16 N 0.96 2.97 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 59.94 3a17 s THR 16 Cb -0.15 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.70 3a17 s THR 16 CO 0.01 -0.13 1.14 -0.13 -0.54 0.00 0.00 174.62 174.97 3a17 s ARG 17 N -4.86 0.85 0.00 3.99 0.52 -1.26 -5.00 118.95 113.19 3a17 s ARG 17 Ca 0.56 0.26 0.23 0.00 -0.52 0.00 0.00 55.73 56.26 3a17 s ARG 17 Cb -0.10 -1.81 0.42 0.00 0.52 0.00 0.00 34.95 33.98 3a17 s ARG 17 CO 0.41 -2.39 1.40 2.89 0.02 0.00 0.00 175.30 177.63 3a17 n ARG 18 N -3.89 2.52 -4.22 3.54 1.85 -1.26 -4.93 116.66 110.27 3a17 n ARG 18 Ca 0.07 -2.30 -0.20 0.00 -1.00 0.00 0.00 57.85 54.42 3a17 n ARG 18 Cb 0.59 -1.52 -0.12 0.00 -1.05 0.00 0.00 32.46 30.36 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 -1.50 1.34 0.92 8.89 -7.23 -1.26 -5.15 120.40 116.41 3a17 s VAL 19 Ca 0.39 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 3a17 s VAL 19 Cb 0.23 -1.27 0.15 0.00 0.56 0.00 0.00 36.38 36.04 3a17 s VAL 19 CO 0.32 -0.18 1.11 -2.84 -0.31 0.00 0.00 175.10 173.20 3a17 s PRO 20 N -1.85 1.02 0.41 4.82 0.02 -1.26 -4.92 135.00 133.24 3a17 s PRO 20 Ca 0.02 1.30 0.29 0.00 0.02 0.00 0.00 61.00 62.62 3a17 s PRO 20 Cb -0.10 -1.75 1.32 0.00 0.02 0.00 0.00 34.50 33.99 3a17 s PRO 20 CO 0.03 -2.54 1.87 -0.44 -0.33 0.00 0.00 177.00 175.59 3a17 h ASP 21 N -1.79 0.00 0.70 2.53 3.32 -2.01 -2.15 116.42 117.02 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 0.46 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.33 3a17 n THR 22 N -2.60 0.04 -1.52 0.35 -2.24 -1.26 -1.69 114.28 105.36 3a17 n THR 22 Ca 0.00 0.01 -0.46 0.00 -2.27 0.00 0.00 64.05 61.33 3a17 n THR 22 Cb 0.20 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.36 0.64 -4.45 4.78 9.36 -0.81 -4.40 117.16 120.91 3a17 n TYR 23 Ca 0.11 0.80 -0.26 0.00 3.32 0.00 0.00 57.90 61.88 3a17 n TYR 23 Cb 0.27 -2.15 -0.17 0.00 -0.63 0.00 0.00 39.34 36.66 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 -0.93 1.24 0.41 2.97 -4.23 -1.26 -4.15 115.64 109.69 3a17 s THR 24 Ca 0.63 -0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 60.37 3a17 s THR 24 Cb -0.81 -1.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.79 3a17 s THR 24 CO 0.58 0.39 1.27 -2.84 -0.54 0.00 0.00 174.62 173.48 3a17 s PRO 25 N 0.92 3.96 0.21 3.99 0.02 -1.26 -4.92 135.00 137.91 3a17 s PRO 25 Ca -0.09 2.08 0.24 0.00 0.02 0.00 0.00 61.00 63.25 3a17 s PRO 25 Cb -0.15 -2.72 0.91 0.00 0.02 0.00 0.00 34.50 32.56 3a17 s PRO 25 CO 0.00 -0.48 1.73 -0.35 -0.33 0.00 0.00 177.00 177.58 3a17 n PRO 26 N 0.07 0.19 -3.66 5.54 -0.04 -1.26 -4.80 135.00 131.05 3a17 n PRO 26 Ca 0.04 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 3a17 n PRO 26 Cb 0.44 -1.80 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 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 -3.20 -0.27 0.32 0.54 -0.12 -1.26 -5.04 117.98 108.94 3a17 s PHE 27 Ca 0.07 0.25 -0.28 0.00 -0.05 0.00 0.00 56.93 56.92 3a17 s PHE 27 Cb 0.11 0.22 -0.09 0.00 -0.63 0.00 0.00 43.02 42.63 3a17 s PHE 27 CO 0.46 -0.57 1.10 -1.25 -0.05 0.00 0.00 175.22 174.91 3a17 s PRO 28 N -2.41 4.49 0.15 1.99 0.04 -1.26 -5.02 135.00 132.98 3a17 s PRO 28 Ca -0.06 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.75 3a17 s PRO 28 Cb -0.01 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 3a17 s PRO 28 CO -0.02 0.09 -0.02 -1.64 0.04 0.00 0.00 177.00 175.45 3a17 s MET 29 N -1.75 1.03 0.15 4.56 -1.94 -1.26 -4.90 119.30 115.18 3a17 s MET 29 Ca 0.48 -1.48 0.03 0.00 -1.71 0.00 0.00 55.69 53.01 3a17 s MET 29 Cb -0.30 -0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.26 3a17 s MET 29 CO 0.38 -0.10 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.66 3a17 s TRP 30 N -3.66 1.15 0.11 -0.03 0.51 0.05 -2.33 118.94 114.75 3a17 s TRP 30 Ca 0.21 -0.92 0.03 0.00 -2.12 0.00 0.00 56.10 53.30 3a17 s TRP 30 Cb 0.06 -0.64 -0.04 0.00 -0.81 0.00 0.00 33.47 32.04 3a17 s TRP 30 CO 0.01 -0.11 -0.09 0.14 -0.51 0.00 0.00 176.95 176.40 3a17 s VAL 31 N -3.55 0.93 0.36 4.03 -7.23 -1.26 0.08 120.40 113.76 3a17 s VAL 31 Ca 0.19 -1.79 -0.28 0.00 -1.81 0.00 0.00 61.98 58.29 3a17 s VAL 31 Cb 0.05 -1.53 -0.11 0.00 0.56 0.00 0.00 36.38 35.35 3a17 s VAL 31 CO 0.01 -0.67 1.47 -0.83 -0.31 0.00 0.00 175.10 174.77 3a17 s GLY 32 N -2.73 2.89 0.03 2.32 0.00 -1.26 -1.08 107.32 107.49 3a17 s GLY 32 Ca 0.09 1.54 0.06 0.00 0.00 0.00 0.00 44.72 46.41 3a17 s GLY 32 CO -0.01 2.24 -0.17 0.50 0.00 0.00 0.00 173.10 175.66 3a17 s ARG 33 N -1.95 2.17 -0.25 2.90 1.81 0.82 -4.80 118.95 119.65 3a17 s ARG 33 Ca 0.53 -0.92 -0.23 0.00 -1.72 0.00 0.00 55.73 53.39 3a17 s ARG 33 Cb -0.46 -2.24 0.07 0.00 -0.45 0.00 0.00 34.95 31.87 3a17 s ARG 33 CO 0.61 0.56 0.67 0.00 -0.68 0.00 0.00 175.30 176.45 3a17 s ALA 34 N -0.90 -1.66 1.01 2.13 0.00 -1.26 -0.58 121.76 120.49 3a17 s ALA 34 Ca 0.14 1.91 -0.10 0.00 0.00 0.00 0.00 51.96 53.92 3a17 s ALA 34 Cb -0.11 -1.11 0.14 0.00 0.00 0.00 0.00 23.12 22.04 3a17 s ALA 34 CO 0.05 -0.32 0.78 -0.40 0.00 0.00 0.00 175.76 175.87 3a17 n ASP 35 N 2.81 -0.02 0.00 0.00 5.68 -1.26 -4.92 116.55 118.84 3a17 n ASP 35 Ca -0.14 -1.27 0.06 0.00 -0.50 0.00 0.00 54.79 52.94 3a17 n ASP 35 Cb 0.56 -0.60 0.27 0.00 -1.14 0.00 0.00 41.12 40.20 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 -3.54 0.00 -0.21 -1.12 5.75 -1.26 -2.16 116.55 114.01 3a17 n ASP 36 Ca 0.10 0.24 -0.04 0.00 -0.01 0.00 0.00 54.79 55.07 3a17 n ASP 36 Cb 0.34 -0.35 0.13 0.00 -1.03 0.00 0.00 41.12 40.21 3a17 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a17 h ALA 37 N 2.49 1.13 -1.98 2.12 0.00 -2.01 -3.39 119.26 117.63 3a17 h ALA 37 Ca 0.00 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 3a17 h ALA 37 Cb 0.13 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3a17 h ALA 37 CO 0.00 0.60 0.85 -1.17 0.00 0.00 0.00 179.25 179.53 3a17 s LEU 38 N -9.52 3.96 -0.01 0.00 0.20 -0.92 -4.85 118.68 107.54 3a17 s LEU 38 Ca -0.11 1.13 0.00 0.00 0.69 0.00 0.00 54.13 55.85 3a17 s LEU 38 Cb 0.16 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.36 3a17 s LEU 38 CO 0.82 -0.86 -0.01 0.00 -0.29 0.00 0.00 176.35 176.01 3a17 n GLN 39 N 6.82 1.11 -3.64 1.98 1.13 -1.26 -4.75 117.38 118.77 3a17 n GLN 39 Ca 0.12 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.14 3a17 n GLN 39 Cb 0.47 -1.02 -0.06 0.00 0.11 0.00 0.00 30.24 29.73 3a17 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3a17 s GLN 40 N -2.02 0.65 0.28 -1.09 0.74 -1.26 -0.84 119.66 116.11 3a17 s GLN 40 Ca -0.01 1.25 0.06 0.00 0.05 0.00 0.00 55.36 56.70 3a17 s GLN 40 Cb 0.00 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 3a17 s GLN 40 CO 0.03 -0.16 0.34 0.14 -0.55 0.00 0.00 175.29 175.09 3a17 s VAL 41 N 1.95 4.58 -0.15 1.34 -7.23 -0.82 -3.67 120.40 116.41 3a17 s VAL 41 Ca -0.09 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 3a17 s VAL 41 Cb -0.07 -3.57 0.02 0.00 0.56 0.00 0.00 36.38 33.32 3a17 s VAL 41 CO -0.19 -0.27 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.44 3a17 s VAL 42 N -2.10 1.87 -0.44 1.32 1.01 -1.02 -3.40 120.40 117.64 3a17 s VAL 42 Ca 0.37 -0.84 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3a17 s VAL 42 Cb -0.08 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.69 3a17 s VAL 42 CO 0.28 0.51 0.30 -0.04 0.00 0.00 0.00 175.10 176.16 3a17 s MET 43 N 1.12 2.72 -0.43 2.72 -1.94 0.02 -0.87 119.30 122.64 3a17 s MET 43 Ca -0.01 -1.43 -0.11 0.00 -1.71 0.00 0.00 55.69 52.43 3a17 s MET 43 Cb -0.14 -3.90 0.08 0.00 2.01 0.00 0.00 34.83 32.88 3a17 s MET 43 CO -0.07 -0.98 0.29 0.20 -0.01 0.00 0.00 175.02 174.45 3a17 s GLY 44 N 2.29 1.99 -0.45 -0.03 0.00 0.17 -1.37 107.32 109.90 3a17 s GLY 44 Ca 0.03 -2.14 -0.20 0.00 0.00 0.00 0.00 44.72 42.41 3a17 s GLY 44 CO 0.03 0.99 0.64 -0.19 0.00 0.00 0.00 173.10 174.58 3a17 s TYR 45 N 1.48 3.05 -0.20 1.90 1.51 -0.33 -0.56 117.35 124.21 3a17 s TYR 45 Ca 0.03 -0.16 -0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3a17 s TYR 45 Cb -0.23 -3.39 -0.02 0.00 -0.11 0.00 0.00 41.96 38.21 3a17 s TYR 45 CO 0.03 -0.91 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.03 3a17 s LEU 46 N 2.80 3.16 0.12 -1.29 1.02 0.28 -0.40 118.68 124.37 3a17 s LEU 46 Ca 0.21 -0.24 0.10 0.00 0.02 0.00 0.00 54.13 54.22 3a17 s LEU 46 Cb -0.15 -1.80 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 3a17 s LEU 46 CO 0.17 0.06 -0.23 -0.83 0.02 0.00 0.00 176.35 175.54 3a17 s GLY 47 N 1.01 1.62 -0.07 -3.19 0.00 0.11 -0.29 107.32 106.51 3a17 s GLY 47 Ca 0.01 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.36 3a17 s GLY 47 CO 0.01 -1.38 -0.16 0.14 0.00 0.00 0.00 173.10 171.71 3a17 s VAL 48 N -1.08 1.42 -0.03 1.40 1.01 0.35 -2.01 120.40 121.45 3a17 s VAL 48 Ca 0.16 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3a17 s VAL 48 Cb -0.10 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 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 1.93 0.15 2.72 0.74 0.17 -0.45 119.66 125.38 3a17 s GLN 49 Ca -0.14 -0.77 -0.14 0.00 0.05 0.00 0.00 55.36 54.36 3a17 s GLN 49 Cb -0.15 -1.77 0.02 0.00 1.10 0.00 0.00 33.01 32.20 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 -0.34 -0.01 0.00 1.67 -0.71 -0.15 -0.23 117.98 118.21 3a17 s PHE 50 Ca 0.04 -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 2.78 -3.57 1.99 0.63 -1.26 0.12 116.66 117.11 3a17 n ARG 51 Ca -0.12 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.45 3a17 n ARG 51 Cb 0.63 -0.90 -0.06 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 -2.78 6.67 0.32 6.15 1.11 -1.26 -4.85 116.67 122.03 3a17 s ASP 52 Ca 0.00 0.81 0.05 0.00 0.18 0.00 0.00 52.55 53.59 3a17 s ASP 52 Cb 0.00 -2.19 0.69 0.00 1.07 0.00 0.00 42.92 42.49 3a17 s ASP 52 CO 0.00 0.21 1.85 -0.33 1.18 0.00 0.00 175.17 178.08 3a17 h GLU 53 N 3.96 0.82 0.00 8.23 4.39 -2.02 -2.07 114.58 127.89 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 29.66 3a17 h GLU 53 CO 0.65 0.54 0.00 -0.40 -1.16 0.00 0.00 179.01 178.64 3a17 n ASP 54 N -4.60 0.00 -0.14 1.42 5.68 -1.26 -3.00 116.55 114.66 3a17 n ASP 54 Ca 0.18 -1.34 0.11 0.00 -0.50 0.00 0.00 54.79 53.25 3a17 n ASP 54 Cb 0.41 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.42 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 -0.77 0.37 0.02 0.11 6.02 -0.78 -4.60 117.38 117.75 3a17 n GLN 55 Ca 0.12 -0.29 -0.10 0.00 -0.01 0.00 0.00 57.00 56.72 3a17 n GLN 55 Cb 0.05 -1.49 -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 0.70 -0.12 -0.56 -1.09 2.43 -1.69 0.19 114.38 114.24 3a17 h ARG 56 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a17 h ARG 56 Cb 0.56 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 3a17 h ARG 56 CO 0.00 -0.08 0.30 -1.35 -1.51 0.00 0.00 179.97 177.33 3a17 h PRO 57 N -0.13 0.77 -0.19 0.20 0.11 -1.85 0.44 132.00 131.35 3a17 h PRO 57 Ca 0.06 -0.08 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 3a17 h PRO 57 Cb 0.20 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3a17 h PRO 57 CO -0.14 0.57 -0.38 0.00 -0.21 0.00 0.00 178.00 177.85 3a17 h ALA 58 N 1.56 1.01 -0.04 -0.75 0.00 -1.73 -1.60 119.26 117.70 3a17 h ALA 58 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3a17 h ALA 58 Cb 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a17 h ALA 58 CO -0.03 0.61 -0.52 0.00 0.00 0.00 0.00 179.25 179.31 3a17 h ALA 59 N 1.26 0.11 -0.28 0.00 0.00 0.12 -2.50 119.26 117.96 3a17 h ALA 59 Ca 0.04 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3a17 h ALA 59 Cb 0.82 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3a17 h ALA 59 CO 0.07 0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 179.56 3a17 h LEU 60 N -0.08 0.40 -0.15 0.00 3.38 -0.15 -1.51 115.31 117.20 3a17 h LEU 60 Ca -0.05 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3a17 h LEU 60 Cb 1.20 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3a17 h LEU 60 CO 0.10 0.46 -0.36 -0.61 0.09 0.00 0.00 178.44 178.13 3a17 h GLN 61 N 0.42 0.50 -0.56 1.13 5.75 -1.35 -1.58 115.11 119.42 3a17 h GLN 61 Ca 0.09 -0.34 0.02 0.00 -0.15 0.00 0.00 58.65 58.27 3a17 h GLN 61 Cb 0.28 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 3a17 h GLN 61 CO 0.01 0.96 0.37 0.00 -2.65 0.00 0.00 178.83 177.52 3a17 h ALA 62 N 0.54 1.67 -0.17 3.38 0.00 -1.21 -1.22 119.26 122.25 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 0.28 -0.08 1.98 0.00 0.00 0.00 179.25 181.52 3a17 h MET 63 N 0.70 0.36 -0.71 0.00 1.85 -1.23 -2.59 114.93 113.31 3a17 h MET 63 Ca 0.22 -0.15 0.10 0.00 -0.61 0.00 0.00 59.70 59.26 3a17 h MET 63 Cb 0.02 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 31.99 3a17 h MET 63 CO -0.05 0.66 0.47 0.00 -0.40 0.00 0.00 176.91 177.58 3a17 h ARG 64 N 0.04 0.54 -0.15 0.39 3.08 -0.72 -1.01 114.38 116.57 3a17 h ARG 64 Ca 0.04 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3a17 h ARG 64 Cb 0.55 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3a17 h ARG 64 CO 0.02 0.36 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.65 3a17 h ASP 65 N 0.56 0.42 -0.82 7.04 3.32 -1.18 0.72 116.42 126.48 3a17 h ASP 65 Ca 0.33 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 3a17 h ASP 65 Cb 0.53 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3a17 h ASP 65 CO -0.11 0.85 0.51 0.40 -1.72 0.00 0.00 179.24 179.17 3a17 h ILE 66 N 0.00 1.22 -0.37 0.35 2.04 -1.10 -0.44 117.51 119.22 3a17 h ILE 66 Ca 0.02 -0.47 -0.16 0.00 1.00 0.00 0.00 64.86 65.25 3a17 h ILE 66 Cb 0.75 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3a17 h ILE 66 CO 0.05 0.23 -0.38 0.58 0.00 0.00 0.00 178.15 178.63 3a17 h VAL 67 N 1.13 1.27 -0.72 1.67 2.07 -1.13 -2.96 116.25 117.59 3a17 h VAL 67 Ca 0.30 -1.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 3a17 h VAL 67 Cb -0.07 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 3a17 h VAL 67 CO -0.06 0.52 0.45 0.00 0.02 0.00 0.00 177.57 178.50 3a17 h ALA 68 N 0.76 1.44 0.00 1.67 0.00 -0.47 -1.05 119.26 121.61 3a17 h ALA 68 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a17 h ALA 68 Cb 0.97 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3a17 h ALA 68 CO 0.09 0.50 0.00 0.78 0.00 0.00 0.00 179.25 180.62 3a17 h GLY 69 N 1.00 0.00 2.00 0.00 0.00 -0.92 -1.19 103.07 103.96 3a17 h GLY 69 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3a17 h GLY 69 CO -0.05 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.23 3a17 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.13 -3.07 116.94 118.38 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 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 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 -1.29 -3.41 116.42 113.18 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 0.83 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.54 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 -5.28 2.21 0.47 1.55 1.43 -1.16 -4.95 118.68 112.96 3a17 s LEU 72 Ca 0.05 1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 54.46 3a17 s LEU 72 Cb 0.09 -3.93 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 3a17 s LEU 72 CO 0.53 -2.76 1.22 -2.65 0.23 0.00 0.00 176.35 172.92 3a17 n PRO 73 N -3.97 1.67 -1.97 1.29 -0.02 -1.26 -2.73 135.00 128.01 3a17 n PRO 73 Ca 0.07 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.99 3a17 n PRO 73 Cb 0.55 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.15 -4.87 -4.61 2.55 8.00 -1.26 -4.78 116.55 111.42 3a17 n ASP 74 Ca 0.09 0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.45 3a17 n ASP 74 Cb 0.42 -3.91 0.18 0.00 -0.02 0.00 0.00 41.12 37.78 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 -2.50 1.57 0.41 0.44 0.00 -1.10 -4.51 107.32 101.63 3a17 s GLY 75 Ca 0.00 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 43.97 3a17 s GLY 75 CO 0.00 0.14 1.18 2.56 0.00 0.00 0.00 173.10 176.98 3a17 s PRO 76 N -5.11 4.01 0.57 2.90 0.04 -1.26 -4.92 135.00 131.23 3a17 s PRO 76 Ca 0.66 1.86 0.36 0.00 0.04 0.00 0.00 61.00 63.91 3a17 s PRO 76 Cb -0.17 -2.65 1.61 0.00 0.04 0.00 0.00 34.50 33.33 3a17 s PRO 76 CO 0.56 -0.36 2.07 0.00 0.04 0.00 0.00 177.00 179.31 3a17 h ALA 77 N 2.57 1.01 -2.33 8.56 0.00 -1.29 -3.45 119.26 124.32 3a17 h ALA 77 Ca -0.49 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3a17 h ALA 77 Cb 1.24 -0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 77 CO 0.62 0.02 -0.03 -1.58 0.00 0.00 0.00 179.25 178.28 3a17 s HIS 78 N -3.80 -0.40 0.15 0.00 5.65 -1.20 -4.96 115.29 110.72 3a17 s HIS 78 Ca -0.00 0.60 -0.16 0.00 0.25 0.00 0.00 55.06 55.74 3a17 s HIS 78 Cb 0.10 0.27 0.03 0.00 -1.18 0.00 0.00 32.58 31.80 3a17 s HIS 78 CO 0.52 -0.54 0.43 -3.38 -0.65 0.00 0.00 174.74 171.12 3a17 s HIS 79 N -1.65 -0.14 -0.00 3.88 -0.00 -1.26 -1.29 115.29 114.83 3a17 s HIS 79 Ca -0.10 -0.19 -0.24 0.00 -0.00 0.00 0.00 55.06 54.53 3a17 s HIS 79 Cb -0.02 0.28 0.05 0.00 -0.00 0.00 0.00 32.58 32.89 3a17 s HIS 79 CO 0.04 -0.76 0.54 0.16 -0.00 0.00 0.00 174.74 174.71 3a17 s ASP 80 N -2.83 -0.47 -0.04 7.38 1.47 -1.02 -5.00 116.67 116.16 3a17 s ASP 80 Ca 0.06 0.35 0.04 0.00 1.18 0.00 0.00 52.55 54.18 3a17 s ASP 80 Cb 0.01 0.47 -0.03 0.00 -0.34 0.00 0.00 42.92 43.04 3a17 s ASP 80 CO -0.09 -0.62 -0.13 -1.48 0.68 0.00 0.00 175.17 173.53 3a17 s LEU 81 N -1.56 2.83 0.10 2.11 2.34 -1.26 -1.84 118.68 121.40 3a17 s LEU 81 Ca -0.09 -0.19 0.02 0.00 0.06 0.00 0.00 54.13 53.93 3a17 s LEU 81 Cb -0.01 -1.60 -0.04 0.00 -0.56 0.00 0.00 46.19 43.98 3a17 s LEU 81 CO 0.04 0.33 -0.07 0.42 -1.06 0.00 0.00 176.35 176.01 3a17 s THR 82 N -0.79 0.71 0.01 5.48 -4.23 0.13 -0.78 115.64 116.17 3a17 s THR 82 Ca 0.12 -1.94 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 3a17 s THR 82 Cb -0.11 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.03 3a17 s THR 82 CO 0.02 -0.87 -0.16 -2.28 -0.54 0.00 0.00 174.62 170.79 3a17 s HIS 83 N -3.62 1.39 -0.09 3.99 5.04 0.40 -0.48 115.29 121.93 3a17 s HIS 83 Ca 0.12 -0.31 -0.29 0.00 -1.54 0.00 0.00 55.06 53.04 3a17 s HIS 83 Cb 0.05 -0.86 0.07 0.00 0.04 0.00 0.00 32.58 31.88 3a17 s HIS 83 CO -0.05 0.01 0.67 -3.38 -2.34 0.00 0.00 174.74 169.65 3a17 s HIS 84 N -0.58 -0.66 -0.23 3.88 -3.43 -0.41 -1.56 115.29 112.30 3a17 s HIS 84 Ca 0.05 1.23 -0.12 0.00 -0.80 0.00 0.00 55.06 55.41 3a17 s HIS 84 Cb -0.07 0.37 -0.05 0.00 -1.43 0.00 0.00 32.58 31.40 3a17 s HIS 84 CO 0.00 -0.56 0.23 0.42 -2.00 0.00 0.00 174.74 172.84 3a17 s ILE 85 N -0.91 5.31 0.91 -5.38 1.01 -1.26 -0.05 121.20 120.82 3a17 s ILE 85 Ca -0.09 0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.75 3a17 s ILE 85 Cb -0.01 -3.57 0.17 0.00 0.01 0.00 0.00 42.46 39.05 3a17 s ILE 85 CO 0.08 0.30 1.27 1.51 0.00 0.00 0.00 174.94 178.10 3a17 s ASP 86 N 1.14 3.54 0.00 3.58 1.47 -0.44 -4.92 116.67 121.03 3a17 s ASP 86 Ca 0.11 0.36 0.15 0.00 1.18 0.00 0.00 52.55 54.35 3a17 s ASP 86 Cb -0.14 -0.54 0.87 0.00 -0.34 0.00 0.00 42.92 42.77 3a17 s ASP 86 CO 0.06 -2.47 1.35 -0.46 0.68 0.00 0.00 175.17 174.33 3a17 n ASN 87 N -3.60 0.00 -1.02 2.11 0.23 -1.26 -1.59 115.26 110.13 3a17 n ASN 87 Ca 0.13 -0.34 0.11 0.00 -0.53 0.00 0.00 54.58 53.96 3a17 n ASN 87 Cb 0.60 -0.07 0.16 0.00 -2.08 0.00 0.00 39.78 38.39 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 -1.07 2.30 -0.71 -3.83 1.13 -1.26 -4.96 117.38 108.98 3a17 n GLN 88 Ca 0.10 -2.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.08 3a17 n GLN 88 Cb 0.07 -1.46 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 1.34 1.21 3.75 1.08 0.00 -0.62 -5.03 105.19 106.92 3a17 n GLY 89 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3a17 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a17 s TYR 90 N -3.56 3.76 0.05 1.61 1.51 -1.26 -4.82 117.35 114.65 3a17 s TYR 90 Ca 0.00 1.78 -0.21 0.00 -1.01 0.00 0.00 57.07 57.64 3a17 s TYR 90 Cb 0.00 -3.15 -0.06 0.00 -0.11 0.00 0.00 41.96 38.64 3a17 s TYR 90 CO 0.00 -0.10 0.61 -1.21 -1.11 0.00 0.00 175.55 173.74 3a17 s GLU 91 N -1.13 4.30 -0.10 -0.62 2.02 0.32 -1.33 118.70 122.16 3a17 s GLU 91 Ca 0.44 0.80 0.01 0.00 0.02 0.00 0.00 54.97 56.24 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 -0.10 -0.80 0.02 0.00 0.00 175.26 175.25 3a17 s ASN 92 N -0.71 2.09 -0.27 -0.19 0.01 0.92 -0.98 114.94 115.81 3a17 s ASN 92 Ca 0.31 -0.33 -0.10 0.00 -0.71 0.00 0.00 52.86 52.04 3a17 s ASN 92 Cb -0.19 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.54 3a17 s ASN 92 CO 0.19 -0.05 0.14 -0.76 -1.51 0.00 0.00 177.10 175.12 3a17 s LEU 93 N 1.27 3.82 -0.14 0.60 1.43 0.40 -1.29 118.68 124.76 3a17 s LEU 93 Ca -0.03 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.97 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 -0.04 -0.06 -0.18 -0.63 0.23 0.00 0.00 176.35 175.67 3a17 s ILE 94 N 1.70 2.43 -0.17 -0.59 1.01 0.37 -0.50 121.20 125.44 3a17 s ILE 94 Ca 0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3a17 s ILE 94 Cb -0.16 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3a17 s ILE 94 CO 0.08 0.53 0.05 -0.69 0.00 0.00 0.00 174.94 174.91 3a17 s VAL 95 N 0.71 4.67 -0.14 2.92 1.01 0.61 0.22 120.40 130.40 3a17 s VAL 95 Ca -0.08 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3a17 s VAL 95 Cb -0.16 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3a17 s VAL 95 CO 0.01 0.47 -0.16 0.54 0.00 0.00 0.00 175.10 175.97 3a17 s VAL 96 N 0.29 2.71 -0.05 2.92 0.11 -0.77 0.98 120.40 126.59 3a17 s VAL 96 Ca 0.03 -0.77 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 3a17 s VAL 96 Cb -0.12 -2.13 -0.03 0.00 -1.53 0.00 0.00 36.38 32.57 3a17 s VAL 96 CO 0.01 0.52 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.36 3a17 s GLY 97 N 0.60 1.62 -0.13 6.54 0.00 0.28 -2.42 107.32 113.80 3a17 s GLY 97 Ca -0.09 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.67 3a17 s GLY 97 CO 0.03 -0.75 -0.14 -0.19 0.00 0.00 0.00 173.10 172.05 3a17 s TYR 98 N -0.80 2.79 0.10 1.90 2.02 -0.41 -0.66 117.35 122.30 3a17 s TYR 98 Ca 0.12 -0.68 0.07 0.00 -0.37 0.00 0.00 57.07 56.22 3a17 s TYR 98 Cb -0.11 -1.84 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 3a17 s TYR 98 CO 0.02 -0.23 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.09 3a17 s TRP 99 N 0.35 2.74 -0.51 2.71 0.51 -0.05 -0.70 118.94 124.00 3a17 s TRP 99 Ca -0.11 -0.16 0.24 0.00 -2.12 0.00 0.00 56.10 53.95 3a17 s TRP 99 Cb -0.16 -1.44 0.41 0.00 -0.81 0.00 0.00 33.47 31.47 3a17 s TRP 99 CO 0.06 0.42 1.54 0.87 -0.51 0.00 0.00 176.95 179.33 3a17 h LYS 100 N 3.69 0.00 -3.75 4.98 1.57 -1.89 -2.69 116.57 118.48 3a17 h LYS 100 Ca -0.49 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 3a17 h LYS 100 Cb 1.17 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.34 3a17 h LYS 100 CO 0.52 0.00 -0.30 0.16 -0.57 0.00 0.00 179.45 179.26 3a17 s ASP 101 N -5.44 0.04 0.04 0.86 -4.77 -1.24 -4.53 116.67 101.62 3a17 s ASP 101 Ca 0.07 -0.65 -0.22 0.00 -3.30 0.00 0.00 52.55 48.44 3a17 s ASP 101 Cb 0.08 0.39 -0.15 0.00 -1.09 0.00 0.00 42.92 42.16 3a17 s ASP 101 CO 0.67 -0.80 1.42 0.58 0.70 0.00 0.00 175.17 177.75 3a17 h VAL 102 N 2.62 1.29 -0.29 2.11 2.07 -1.89 -3.32 116.25 118.84 3a17 h VAL 102 Ca -0.33 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 3a17 h VAL 102 Cb 1.22 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 3a17 h VAL 102 CO 0.52 0.27 -0.06 0.77 0.02 0.00 0.00 177.57 179.09 3a17 h SER 103 N -0.13 0.44 0.08 0.57 4.64 -1.98 -2.36 113.55 114.81 3a17 h SER 103 Ca 0.03 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 3a17 h SER 103 Cb 0.43 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3a17 h SER 103 CO 0.01 0.56 -0.41 0.77 -0.87 0.00 0.00 176.83 176.89 3a17 h SER 104 N 0.45 0.44 -0.07 4.97 4.64 -1.93 0.10 113.55 122.15 3a17 h SER 104 Ca 0.09 -0.19 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 3a17 h SER 104 Cb 0.39 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 3a17 h SER 104 CO 0.02 0.81 -0.39 -0.61 -0.87 0.00 0.00 176.83 175.78 3a17 h GLN 105 N 0.35 0.59 -0.33 4.77 -0.00 -1.57 -2.31 115.11 116.60 3a17 h GLN 105 Ca 0.03 -0.30 -0.05 0.00 -0.00 0.00 0.00 58.65 58.33 3a17 h GLN 105 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 3a17 h GLN 105 CO 0.07 0.88 0.01 1.25 0.00 0.00 0.00 178.83 181.04 3a17 h HIS 106 N 0.49 0.64 -0.03 3.99 2.76 -1.01 0.28 115.15 122.27 3a17 h HIS 106 Ca 0.04 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3a17 h HIS 106 Cb 0.90 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.69 3a17 h HIS 106 CO 0.04 0.70 0.02 0.00 -1.30 0.00 0.00 177.93 177.39 3a17 h ARG 107 N 0.39 0.00 0.04 5.26 3.08 -0.97 -1.40 114.38 120.79 3a17 h ARG 107 Ca 0.10 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3a17 h ARG 107 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3a17 h ARG 107 CO 0.02 0.00 -0.41 2.35 -1.07 0.00 0.00 179.97 180.85 3a17 h TRP 108 N 0.00 0.17 -0.25 3.04 7.01 -0.94 -2.39 115.95 122.59 3a17 h TRP 108 Ca 0.01 -0.12 0.05 0.00 2.11 0.00 0.00 58.89 60.94 3a17 h TRP 108 Cb 0.06 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 3a17 h TRP 108 CO 0.00 1.16 0.17 0.77 -2.79 0.00 0.00 178.44 177.76 3a17 h SER 109 N -0.80 0.09 0.23 2.65 0.02 -0.20 -2.91 113.55 112.64 3a17 h SER 109 Ca -0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 3a17 h SER 109 Cb 1.24 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 3a17 h SER 109 CO 0.02 0.06 -1.80 0.35 -1.14 0.00 0.00 176.83 174.32 3a17 n THR 110 N -4.48 0.25 -1.66 -2.27 -2.24 -0.55 -3.84 114.28 99.49 3a17 n THR 110 Ca 0.02 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 3a17 n THR 110 Cb 0.26 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.40 2.31 -0.13 3.42 3.41 -0.90 -4.52 113.62 114.81 3a17 n SER 111 Ca -0.05 1.20 -0.10 0.00 -0.26 0.00 0.00 58.87 59.66 3a17 n SER 111 Cb 0.61 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.10 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 2.41 0.11 -0.66 6.66 2.02 -1.90 -0.60 112.91 120.94 3a17 h THR 112 Ca -0.44 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.83 3a17 h THR 112 Cb 1.30 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 3a17 h THR 112 CO 0.63 0.00 0.44 1.55 0.37 0.00 0.00 175.52 178.51 3a17 h PRO 113 N -0.31 0.54 0.00 6.66 0.13 -1.95 -0.80 132.00 136.27 3a17 h PRO 113 Ca 0.14 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 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 -0.58 0.36 -0.00 0.82 -0.23 0.00 0.00 178.00 178.36 3a17 h ILE 114 N 0.56 1.72 -0.55 -3.56 1.08 -1.63 -3.23 117.51 111.90 3a17 h ILE 114 Ca 0.30 -2.29 -0.04 0.00 -0.39 0.00 0.00 64.86 62.44 3a17 h ILE 114 Cb 0.44 3.25 -0.03 0.00 -3.07 0.00 0.00 36.82 37.41 3a17 h ILE 114 CO -0.10 0.58 0.17 0.00 -0.69 0.00 0.00 178.15 178.12 3a17 h ALA 115 N -0.04 1.27 0.00 1.87 0.00 -0.97 -2.18 119.26 119.21 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 0.96 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3a17 h ALA 115 CO 0.00 0.52 -0.61 0.66 0.00 0.00 0.00 179.25 179.82 3a17 h SER 116 N 0.80 0.00 -0.41 0.00 4.64 -1.32 -1.55 113.55 115.71 3a17 h SER 116 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 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 0.61 -0.20 -0.25 -0.87 0.00 0.00 176.83 176.12 3a17 h TRP 117 N 0.00 0.99 -0.02 4.77 7.01 -1.47 -2.40 115.95 124.82 3a17 h TRP 117 Ca -0.01 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 60.73 3a17 h TRP 117 Cb 1.11 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.94 3a17 h TRP 117 CO 0.00 1.02 -0.04 2.35 -2.79 0.00 0.00 178.44 178.97 3a17 h TRP 118 N 0.67 0.09 0.00 2.65 2.91 -1.29 -3.30 115.95 117.68 3a17 h TRP 118 Ca 0.09 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.08 3a17 h TRP 118 Cb 0.76 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 3a17 h TRP 118 CO 0.06 0.61 -0.04 0.39 -1.03 0.00 0.00 178.44 178.43 3a17 n GLU 119 N -4.76 0.16 -1.61 2.65 1.02 -0.60 -4.88 120.64 112.62 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 0.31 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.95 1.43 0.01 1.62 2.88 -0.90 -4.89 113.62 111.82 3a17 n SER 120 Ca 0.06 1.14 0.10 0.00 -1.33 0.00 0.00 58.87 58.84 3a17 n SER 120 Cb 0.39 -1.33 0.46 0.00 -0.75 0.00 0.00 64.21 62.98 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 0.55 0.02 0.14 -1.46 1.02 -1.26 -3.09 120.64 116.56 3a17 n GLU 121 Ca 0.09 0.15 0.04 0.00 -0.02 0.00 0.00 57.16 57.41 3a17 n GLU 121 Cb 0.35 -1.53 0.44 0.00 -0.02 0.00 0.00 31.44 30.67 3a17 n GLU 121 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3a17 h ASP 122 N 0.00 0.19 -0.12 1.62 5.19 -1.94 -2.44 116.42 118.93 3a17 h ASP 122 Ca 0.00 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 3a17 h ASP 122 Cb 0.38 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 3a17 h ASP 122 CO 0.00 0.31 0.08 0.03 -3.12 0.00 0.00 179.24 176.54 3a17 h ARG 123 N 0.20 0.09 0.00 3.56 2.47 -1.86 0.22 114.38 119.06 3a17 h ARG 123 Ca 0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 3a17 h ARG 123 Cb 0.28 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3a17 h ARG 123 CO 0.01 0.06 0.00 -0.07 0.56 0.00 0.00 179.97 180.54 3a17 h LEU 124 N 0.10 0.00 -0.74 3.04 3.38 -1.65 -3.33 115.31 116.10 3a17 h LEU 124 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a17 h LEU 124 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3a17 h LEU 124 CO -0.01 0.00 -0.01 -1.54 0.09 0.00 0.00 178.44 176.97 3a17 n SER 125 N -2.58 0.79 0.27 -0.43 3.41 -0.37 -4.61 113.62 110.10 3a17 n SER 125 Ca 0.04 -0.90 0.15 0.00 -0.26 0.00 0.00 58.87 57.90 3a17 n SER 125 Cb 0.43 0.29 0.74 0.00 -0.26 0.00 0.00 64.21 65.41 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 0.16 0.00 0.00 4.04 3.32 -0.74 -3.47 116.42 119.73 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 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3a17 h ASP 126 CO 0.00 0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.22 3a17 n GLY 127 N -0.42 2.98 3.80 2.75 0.00 -1.26 -5.03 105.19 108.01 3a17 n GLY 127 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3a17 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a17 s LEU 128 N 0.00 4.02 0.38 0.99 1.43 -1.26 -4.99 118.68 119.25 3a17 s LEU 128 Ca 0.00 1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.72 3a17 s LEU 128 Cb 0.00 -4.40 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 3a17 s LEU 128 CO 0.00 -0.40 0.86 -0.83 0.23 0.00 0.00 176.35 176.21 3a17 s GLY 129 N -1.95 2.38 0.01 -3.19 0.00 0.68 -4.78 107.32 100.47 3a17 s GLY 129 Ca 0.60 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.59 3a17 s GLY 129 CO 0.18 0.51 -0.05 -1.36 0.00 0.00 0.00 173.10 172.39 3a17 s PHE 130 N -2.09 0.41 0.04 1.90 0.08 0.59 -0.65 117.98 118.26 3a17 s PHE 130 Ca 0.59 -0.26 -0.08 0.00 0.12 0.00 0.00 56.93 57.30 3a17 s PHE 130 Cb -0.10 -0.26 -0.00 0.00 -0.57 0.00 0.00 43.02 42.10 3a17 s PHE 130 CO 0.15 -0.06 0.17 -0.59 -0.10 0.00 0.00 175.22 174.79 3a17 s PHE 131 N -0.66 0.10 -0.16 0.36 -0.71 -0.85 -0.27 117.98 115.78 3a17 s PHE 131 Ca -0.05 -0.35 -0.01 0.00 -1.04 0.00 0.00 56.93 55.49 3a17 s PHE 131 Cb -0.05 -0.06 0.04 0.00 -1.21 0.00 0.00 43.02 41.74 3a17 s PHE 131 CO -0.00 -0.42 -0.04 1.03 -1.34 0.00 0.00 175.22 174.46 3a17 s ARG 132 N -2.62 1.27 -0.53 1.99 0.52 -0.20 0.05 118.95 119.43 3a17 s ARG 132 Ca -0.05 -0.45 0.02 0.00 -0.52 0.00 0.00 55.73 54.72 3a17 s ARG 132 Cb -0.01 -1.93 0.14 0.00 0.52 0.00 0.00 34.95 33.67 3a17 s ARG 132 CO -0.04 -0.45 0.29 -1.21 0.02 0.00 0.00 175.30 173.91 3a17 s GLU 133 N 1.69 2.11 -0.28 3.54 2.02 0.47 -0.90 118.70 127.34 3a17 s GLU 133 Ca 0.01 -2.47 -0.05 0.00 0.02 0.00 0.00 54.97 52.47 3a17 s GLU 133 Cb -0.15 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.64 3a17 s GLU 133 CO -0.07 -1.11 0.04 0.42 0.02 0.00 0.00 175.26 174.56 3a17 s ILE 134 N -0.02 3.66 0.05 -1.63 -1.09 0.16 -1.18 121.20 121.15 3a17 s ILE 134 Ca 0.16 -0.80 0.08 0.00 -2.23 0.00 0.00 60.65 57.86 3a17 s ILE 134 Cb -0.23 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.73 3a17 s ILE 134 CO -0.02 0.10 -0.22 0.68 -1.23 0.00 0.00 174.94 174.25 3a17 s VAL 135 N 1.45 1.75 -0.45 2.92 -7.23 -0.47 -0.60 120.40 117.76 3a17 s VAL 135 Ca 0.02 -1.28 0.02 0.00 -1.81 0.00 0.00 61.98 58.93 3a17 s VAL 135 Cb -0.17 -1.53 0.14 0.00 0.56 0.00 0.00 36.38 35.38 3a17 s VAL 135 CO 0.01 0.19 0.26 0.00 -0.31 0.00 0.00 175.10 175.25 3a17 s ALA 136 N -0.85 2.10 0.27 1.32 0.00 0.01 -0.80 121.76 123.80 3a17 s ALA 136 Ca 0.08 -2.60 -0.24 0.00 0.00 0.00 0.00 51.96 49.20 3a17 s ALA 136 Cb -0.09 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 3a17 s ALA 136 CO 0.02 -2.06 0.86 -1.25 0.00 0.00 0.00 175.76 173.33 3a17 s PRO 137 N 0.27 4.49 0.83 0.00 0.04 -1.22 -4.82 135.00 134.59 3a17 s PRO 137 Ca 0.19 1.18 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 3a17 s PRO 137 Cb -0.21 -2.89 0.09 0.00 0.04 0.00 0.00 34.50 31.53 3a17 s PRO 137 CO -0.02 0.36 1.09 1.03 0.04 0.00 0.00 177.00 179.49 3a17 s ARG 138 N -1.90 1.84 0.32 4.56 0.52 -1.26 -1.94 118.95 121.09 3a17 s ARG 138 Ca 0.46 0.86 0.08 0.00 -0.52 0.00 0.00 55.73 56.62 3a17 s ARG 138 Cb -0.19 -1.87 0.82 0.00 0.52 0.00 0.00 34.95 34.23 3a17 s ARG 138 CO 0.24 -1.85 1.78 0.00 0.02 0.00 0.00 175.30 175.49 3a17 h ALA 139 N -1.26 1.79 0.00 2.13 0.00 -1.28 0.35 119.26 120.98 3a17 h ALA 139 Ca -0.47 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3a17 h ALA 139 Cb 1.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3a17 h ALA 139 CO 0.55 -0.16 0.00 -0.85 0.00 0.00 0.00 179.25 178.79 3a17 n GLU 140 N -4.73 0.02 -0.27 0.00 0.28 -1.26 -3.71 120.64 110.97 3a17 n GLU 140 Ca 0.23 0.24 0.07 0.00 -0.16 0.00 0.00 57.16 57.54 3a17 n GLU 140 Cb 0.62 -1.54 0.19 0.00 1.43 0.00 0.00 31.44 32.15 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 -1.58 2.91 -3.95 3.44 6.02 0.12 -1.69 117.38 122.66 3a17 n GLN 141 Ca 0.04 -2.33 -0.10 0.00 -0.01 0.00 0.00 57.00 54.60 3a17 n GLN 141 Cb 0.19 -1.47 -0.10 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.63 0.21 0.10 1.08 -0.12 -1.22 -0.80 117.98 115.59 3a17 s PHE 142 Ca 0.30 -0.45 0.06 0.00 -0.05 0.00 0.00 56.93 56.79 3a17 s PHE 142 Cb 0.20 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.40 3a17 s PHE 142 CO 0.13 -0.25 -0.15 -1.83 -0.05 0.00 0.00 175.22 173.07 3a17 s GLU 143 N -1.76 0.96 0.10 1.99 4.04 -0.12 -4.70 118.70 119.21 3a17 s GLU 143 Ca -0.13 -1.12 0.06 0.00 0.04 0.00 0.00 54.97 53.83 3a17 s GLU 143 Cb -0.07 -0.94 -0.03 0.00 0.02 0.00 0.00 34.13 33.10 3a17 s GLU 143 CO -0.01 0.20 -0.17 0.95 -1.84 0.00 0.00 175.26 174.39 3a17 s THR 144 N -1.66 1.40 -0.09 1.83 -4.23 -1.26 -1.29 115.64 110.34 3a17 s THR 144 Ca 0.04 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3a17 s THR 144 Cb -0.08 -1.38 0.04 0.00 1.34 0.00 0.00 72.50 72.43 3a17 s THR 144 CO 0.03 -0.22 0.19 -0.22 -0.54 0.00 0.00 174.62 173.86 3a17 s LEU 145 N -2.01 0.46 -0.04 4.79 2.96 -0.06 -4.56 118.68 120.23 3a17 s LEU 145 Ca 0.04 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.39 3a17 s LEU 145 Cb -0.09 0.51 0.00 0.00 0.50 0.00 0.00 46.19 47.12 3a17 s LEU 145 CO 0.03 -0.17 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.45 3a17 s TYR 146 N 1.40 1.32 -0.36 5.38 2.02 0.11 -0.99 117.35 126.24 3a17 s TYR 146 Ca -0.07 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.31 3a17 s TYR 146 Cb -0.11 -0.91 0.53 0.00 -0.40 0.00 0.00 41.96 41.06 3a17 s TYR 146 CO -0.07 -0.14 1.66 0.00 -1.57 0.00 0.00 175.55 175.43 3a17 n ALA 147 N 3.24 4.65 -3.24 3.71 0.00 -0.90 -0.77 120.51 127.19 3a17 n ALA 147 Ca -0.18 -2.08 -0.11 0.00 0.00 0.00 0.00 53.44 51.07 3a17 n ALA 147 Cb 0.54 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.48 -0.28 -0.33 0.00 -0.12 -1.26 -4.82 117.98 108.69 3a17 s PHE 148 Ca 0.43 -0.02 0.14 0.00 -0.05 0.00 0.00 56.93 57.43 3a17 s PHE 148 Cb 0.36 0.40 -0.19 0.00 -0.63 0.00 0.00 43.02 42.96 3a17 s PHE 148 CO 0.09 -0.83 0.45 1.04 -0.05 0.00 0.00 175.22 175.92 3a17 n GLN 149 N -0.31 1.40 -4.31 1.99 6.02 -1.26 -4.74 117.38 116.16 3a17 n GLN 149 Ca -0.14 -0.07 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 3a17 n GLN 149 Cb 0.64 -1.25 -0.11 0.00 1.02 0.00 0.00 30.24 30.54 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 -2.66 1.85 -1.19 -1.09 1.03 -1.26 -4.76 118.70 110.61 3a17 s GLU 150 Ca -0.00 -1.25 -0.17 0.00 0.03 0.00 0.00 54.97 53.58 3a17 s GLU 150 Cb 0.10 -2.10 -0.00 0.00 -0.80 0.00 0.00 34.13 31.32 3a17 s GLU 150 CO 0.58 0.46 0.72 -0.25 -1.33 0.00 0.00 175.26 175.44 3a17 n ASP 151 N 0.49 -4.24 -4.72 0.83 8.00 -1.26 -4.87 116.55 110.78 3a17 n ASP 151 Ca -0.14 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.92 3a17 n ASP 151 Cb 0.54 -3.26 -0.03 0.00 -0.02 0.00 0.00 41.12 38.35 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 -6.62 4.37 0.76 0.64 1.43 -1.26 -5.02 118.68 112.98 3a17 s LEU 152 Ca 0.38 2.75 -0.04 0.00 -1.03 0.00 0.00 54.13 56.19 3a17 s LEU 152 Cb -0.14 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.61 3a17 s LEU 152 CO 0.87 -0.90 1.05 -2.16 0.23 0.00 0.00 176.35 175.44 3a17 s PRO 153 N 1.06 1.57 4.13 1.29 0.04 -1.26 -3.08 135.00 138.74 3a17 s PRO 153 Ca 0.72 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.87 3a17 s PRO 153 Cb -0.47 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3a17 s PRO 153 CO 0.33 -1.57 0.00 0.41 0.04 0.00 0.00 177.00 176.20 3a17 n GLY 154 N -2.99 1.08 0.32 0.56 0.00 -1.26 -2.80 105.19 100.09 3a17 n GLY 154 Ca 0.14 -0.65 0.20 0.00 0.00 0.00 0.00 46.02 45.71 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 0.12 -0.39 1.61 3.04 -2.00 -1.83 116.25 116.81 3a17 h VAL 155 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 66.70 65.61 3a17 h VAL 155 Cb 0.00 1.10 -0.02 0.00 -2.01 0.00 0.00 31.29 30.36 3a17 h VAL 155 CO 0.00 0.01 0.26 1.23 -1.01 0.00 0.00 177.57 178.06 3a17 h GLY 156 N 0.35 0.47 2.00 3.17 0.00 -1.81 -2.07 103.07 105.17 3a17 h GLY 156 Ca -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 3a17 h GLY 156 CO 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 176.54 176.60 3a17 h ALA 157 N 1.77 1.37 -0.22 3.60 0.00 -1.25 -2.62 119.26 121.92 3a17 h ALA 157 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a17 h ALA 157 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3a17 h ALA 157 CO -0.04 0.10 0.00 1.33 0.00 0.00 0.00 179.25 180.64 3a17 n VAL 158 N -3.72 0.28 -2.46 0.00 0.24 -0.78 -4.94 118.33 106.94 3a17 n VAL 158 Ca -0.02 -0.64 -0.23 0.00 -2.04 0.00 0.00 64.34 61.41 3a17 n VAL 158 Cb 0.18 1.20 0.06 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.63 2.30 0.25 7.34 -1.94 -0.99 -4.91 119.30 119.71 3a17 s MET 159 Ca 0.32 -0.62 0.07 0.00 -1.71 0.00 0.00 55.69 53.75 3a17 s MET 159 Cb 0.20 -2.35 0.27 0.00 2.01 0.00 0.00 34.83 34.97 3a17 s MET 159 CO 0.29 -1.01 1.57 -0.44 -0.01 0.00 0.00 175.02 175.42 3a17 h ASP 160 N -0.26 0.13 0.00 3.03 3.32 -1.13 -3.49 116.42 118.02 3a17 h ASP 160 Ca -0.42 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3a17 h ASP 160 Cb 1.30 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.81 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 0.33 -0.95 3.77 2.75 0.00 -1.09 -5.01 105.19 104.99 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 4.78 1.06 -0.61 1.10 -1.26 -0.13 121.20 123.15 3a17 s ILE 162 Ca 0.00 -0.15 -0.15 0.00 -0.51 0.00 0.00 60.65 59.84 3a17 s ILE 162 Cb 0.00 -3.08 0.22 0.00 0.15 0.00 0.00 42.46 39.75 3a17 s ILE 162 CO 0.00 0.54 1.13 -0.94 -2.11 0.00 0.00 174.94 173.56 3a17 s SER 163 N -1.15 2.14 0.95 4.50 1.04 -0.24 -4.84 113.70 116.10 3a17 s SER 163 Ca 0.16 0.84 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 3a17 s SER 163 Cb -0.12 -1.28 0.11 0.00 0.10 0.00 0.00 66.02 64.84 3a17 s SER 163 CO 0.06 -3.39 0.69 0.61 0.98 0.00 0.00 173.24 172.18 3a17 n GLY 164 N -1.47 -1.10 3.68 7.32 0.00 -1.26 -4.74 105.19 107.62 3a17 n GLY 164 Ca 0.09 -1.73 -0.57 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.44 1.06 -3.93 1.61 1.02 -1.26 -4.62 120.64 112.07 3a17 n GLU 165 Ca 0.09 0.39 -0.29 0.00 -0.02 0.00 0.00 57.16 57.33 3a17 n GLU 165 Cb 0.31 -2.05 -0.04 0.00 -0.02 0.00 0.00 31.44 29.65 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 2.81 5.35 0.03 -3.67 -5.25 -0.98 -2.95 121.20 116.54 3a17 s ILE 166 Ca 0.96 -0.53 0.05 0.00 -0.99 0.00 0.00 60.65 60.13 3a17 s ILE 166 Cb -1.08 -3.68 -0.24 0.00 2.95 0.00 0.00 42.46 40.41 3a17 s ILE 166 CO 0.63 0.03 0.93 -1.13 -1.79 0.00 0.00 174.94 173.61 3a17 h ASN 167 N 2.64 0.14 -1.60 4.36 -0.73 -1.59 -3.42 115.58 115.38 3a17 h ASN 167 Ca -0.47 -0.21 -0.76 0.00 1.87 0.00 0.00 56.30 56.73 3a17 h ASN 167 Cb 1.18 -0.05 -0.17 0.00 0.27 0.00 0.00 38.32 39.55 3a17 h ASN 167 CO 0.72 1.17 1.88 -0.62 -0.37 0.00 0.00 177.43 180.21 3a17 n GLU 168 N -3.30 3.98 -3.91 6.67 4.71 -1.26 -4.59 120.64 122.94 3a17 n GLU 168 Ca -0.11 -3.71 -0.08 0.00 -0.01 0.00 0.00 57.16 53.25 3a17 n GLU 168 Cb 1.01 -2.80 -0.03 0.00 -1.01 0.00 0.00 31.44 28.62 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 -0.52 0.03 0.00 -0.32 -3.43 -1.26 -4.72 115.29 105.06 3a17 s HIS 169 Ca 0.41 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.21 3a17 s HIS 169 Cb 0.11 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.78 3a17 s HIS 169 CO 0.00 -1.16 0.00 0.41 -2.00 0.00 0.00 174.74 171.99 3a17 n GLY 170 N -0.44 0.84 3.29 -1.38 0.00 -1.26 -4.72 105.19 101.52 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 -2.04 -0.19 0.10 1.61 1.13 -1.26 -4.96 117.35 111.74 3a17 s TYR 171 Ca 0.00 0.10 -0.31 0.00 -1.41 0.00 0.00 57.07 55.45 3a17 s TYR 171 Cb 0.00 0.16 -0.08 0.00 -1.10 0.00 0.00 41.96 40.94 3a17 s TYR 171 CO 0.00 -0.54 1.48 -1.58 -2.51 0.00 0.00 175.55 172.40 3a17 s TRP 172 N -2.53 2.99 0.00 -3.49 0.52 -1.26 -2.33 118.94 112.83 3a17 s TRP 172 Ca -0.05 0.74 0.00 0.00 0.02 0.00 0.00 56.10 56.81 3a17 s TRP 172 Cb -0.01 -3.79 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 3a17 s TRP 172 CO -0.03 -2.92 0.00 0.41 0.02 0.00 0.00 176.95 174.43 3a17 n GLY 173 N 3.67 0.49 0.12 0.98 0.00 -1.26 -4.95 105.19 104.23 3a17 n GLY 173 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.20 1.61 4.64 -1.79 -2.80 113.55 115.41 3a17 h SER 174 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 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 0.63 -0.10 -0.03 -0.87 0.00 0.00 176.83 176.46 3a17 h MET 175 N 0.00 -0.26 -0.44 4.77 -1.53 -1.85 -1.38 114.93 114.24 3a17 h MET 175 Ca -0.02 0.02 0.09 0.00 -3.44 0.00 0.00 59.70 56.35 3a17 h MET 175 Cb 1.50 0.06 -0.09 0.00 -0.55 0.00 0.00 31.60 32.51 3a17 h MET 175 CO 0.08 -0.15 -0.19 -0.09 0.14 0.00 0.00 176.91 176.71 3a17 h ARG 176 N -0.30 -0.09 0.00 0.39 2.43 -1.97 -1.86 114.38 112.98 3a17 h ARG 176 Ca -0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3a17 h ARG 176 Cb 0.23 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3a17 h ARG 176 CO 0.05 -0.06 0.00 0.93 -1.51 0.00 0.00 179.97 179.37 3a17 h GLU 177 N -0.09 0.00 0.00 0.20 5.08 -1.20 -1.56 114.58 117.00 3a17 h GLU 177 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3a17 h GLU 177 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3a17 h GLU 177 CO -0.50 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.41 3a17 h ARG 178 N 0.00 0.00 -6.28 2.33 3.08 -0.38 -3.44 114.38 109.69 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 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3a17 h ARG 178 CO 0.00 0.00 1.06 -0.06 -1.07 0.00 0.00 179.97 179.90 3a17 s PHE 179 N -3.15 2.30 0.37 3.04 0.40 -0.59 -4.65 117.98 115.69 3a17 s PHE 179 Ca 0.09 0.63 0.13 0.00 -0.60 0.00 0.00 56.93 57.17 3a17 s PHE 179 Cb 0.10 -3.91 0.94 0.00 0.51 0.00 0.00 43.02 40.66 3a17 s PHE 179 CO 0.64 -2.64 1.81 -1.35 0.70 0.00 0.00 175.22 174.38 3a17 h PRO 180 N 10.02 0.55 0.00 0.24 0.11 -1.83 -0.21 132.00 140.88 3a17 h PRO 180 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3a17 h PRO 180 Cb 1.14 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3a17 h PRO 180 CO 1.00 0.36 0.00 0.97 -0.21 0.00 0.00 178.00 180.12 3a17 h ILE 181 N 0.56 0.00 0.00 4.15 2.10 -1.68 -2.57 117.51 120.08 3a17 h ILE 181 Ca 0.53 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 66.25 3a17 h ILE 181 Cb 1.09 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.89 3a17 h ILE 181 CO -0.27 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.26 3a17 n SER 182 N -2.77 0.00 0.21 2.19 3.41 -0.09 -0.31 113.62 116.26 3a17 n SER 182 Ca -0.01 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 59.12 3a17 n SER 182 Cb 0.17 -0.48 0.44 0.00 -0.26 0.00 0.00 64.21 64.09 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 -3.37 115.11 118.65 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 0.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.96 3a17 h GLN 183 CO 0.00 0.30 -0.38 0.25 -0.67 0.00 0.00 178.83 178.33 3a17 n THR 184 N -3.99 0.00 -4.57 -0.54 -2.24 -0.87 -0.53 114.28 101.53 3a17 n THR 184 Ca -0.02 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.45 3a17 n THR 184 Cb 0.36 -0.03 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.14 3.99 0.00 3.42 -1.08 0.58 -4.78 116.67 117.65 3a17 s ASP 185 Ca 0.00 -0.38 0.28 0.00 -0.52 0.00 0.00 52.55 51.93 3a17 s ASP 185 Cb 0.00 -0.70 1.16 0.00 -1.46 0.00 0.00 42.92 41.92 3a17 s ASP 185 CO 0.00 0.25 1.85 0.79 0.52 0.00 0.00 175.17 178.58 3a17 n TRP 186 N 1.45 0.00 -3.20 -5.34 7.02 -1.26 -4.21 117.44 111.89 3a17 n TRP 186 Ca -0.16 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.10 3a17 n TRP 186 Cb 0.52 -0.35 0.01 0.00 -2.42 0.00 0.00 31.31 29.08 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 -1.34 -4.07 -2.13 -0.99 2.81 -1.26 -4.94 117.12 105.19 3a17 n MET 187 Ca 0.10 0.67 -0.38 0.00 -1.81 0.00 0.00 57.70 56.27 3a17 n MET 187 Cb 0.31 -5.44 -0.00 0.00 -0.71 0.00 0.00 33.22 27.37 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 -5.87 3.76 0.19 0.03 -1.52 -1.26 -4.69 119.66 110.31 3a17 s GLN 188 Ca 0.35 1.96 -0.16 0.00 -1.95 0.00 0.00 55.36 55.57 3a17 s GLN 188 Cb -0.17 -2.52 -0.08 0.00 -0.22 0.00 0.00 33.01 30.02 3a17 s GLN 188 CO 0.44 -0.60 0.62 0.00 -0.25 0.00 0.00 175.29 175.49 3a17 s ALA 189 N -1.41 3.51 0.01 6.09 0.00 -1.26 -4.58 121.76 124.12 3a17 s ALA 189 Ca 0.62 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 3a17 s ALA 189 Cb -0.33 -2.63 0.04 0.00 0.00 0.00 0.00 23.12 20.20 3a17 s ALA 189 CO 0.41 0.41 0.45 -1.54 0.00 0.00 0.00 175.76 175.49 3a17 s SER 190 N -1.79 -0.35 0.00 0.00 1.04 -1.22 -5.05 113.70 106.32 3a17 s SER 190 Ca 0.41 0.18 0.00 0.00 0.48 0.00 0.00 55.95 57.03 3a17 s SER 190 Cb -0.15 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3a17 s SER 190 CO 0.20 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3a17 n GLY 191 N 0.80 -0.76 3.52 7.32 0.00 -1.26 -2.77 105.19 112.04 3a17 n GLY 191 Ca -0.19 -1.69 -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 -1.72 1.82 -0.28 1.61 8.01 -1.26 -4.90 118.70 121.98 3a17 s GLU 192 Ca 0.00 -1.77 -0.28 0.00 0.01 0.00 0.00 54.97 52.92 3a17 s GLU 192 Cb 0.00 -1.81 0.01 0.00 -4.31 0.00 0.00 34.13 28.02 3a17 s GLU 192 CO 0.00 0.27 1.03 -1.17 0.01 0.00 0.00 175.26 175.40 3a17 s LEU 193 N -3.57 4.02 -0.04 1.80 2.96 -1.26 -4.27 118.68 118.31 3a17 s LEU 193 Ca 0.31 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.40 3a17 s LEU 193 Cb -0.03 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.17 3a17 s LEU 193 CO 0.16 -0.76 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.18 3a17 s ARG 194 N 3.39 1.32 -0.00 1.98 0.52 -0.92 -1.09 118.95 124.15 3a17 s ARG 194 Ca 0.43 -0.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.94 3a17 s ARG 194 Cb -0.14 -1.17 -0.05 0.00 0.52 0.00 0.00 34.95 34.11 3a17 s ARG 194 CO 0.11 0.13 1.41 0.08 0.02 0.00 0.00 175.30 177.05 3a17 s VAL 195 N 0.26 3.70 -0.37 3.52 1.01 -0.44 0.02 120.40 128.11 3a17 s VAL 195 Ca -0.06 1.08 0.07 0.00 0.00 0.00 0.00 61.98 63.08 3a17 s VAL 195 Cb -0.11 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 3a17 s VAL 195 CO 0.01 -0.00 0.33 2.30 0.00 0.00 0.00 175.10 177.74 3a17 n ILE 196 N 4.68 0.00 -3.71 2.22 -5.35 -0.20 -4.83 119.36 112.17 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 -1.63 -1.20 0.00 -1.28 0.00 -1.15 -5.00 121.76 111.51 3a17 s ALA 197 Ca 0.03 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3a17 s ALA 197 Cb 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3a17 s ALA 197 CO 0.28 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.23 3a17 n GLY 198 N 2.83 -1.72 3.09 0.00 0.00 -1.26 -1.43 105.19 106.70 3a17 n GLY 198 Ca -0.13 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 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 0.14 0.29 1.61 2.15 -1.26 -4.92 116.67 110.68 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 0.98 0.58 0.00 -0.30 0.00 0.00 42.92 44.19 3a17 s ASP 199 CO 0.00 -0.24 1.84 -0.65 -0.17 0.00 0.00 175.17 175.95 3a17 h PRO 200 N 8.23 0.94 -0.70 4.34 0.11 -1.92 -2.59 132.00 140.41 3a17 h PRO 200 Ca -0.15 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.87 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 0.31 0.00 -0.21 0.00 0.00 178.00 178.87 3a17 h ALA 201 N 1.55 1.23 -0.06 -0.75 0.00 -1.95 -2.89 119.26 116.38 3a17 h ALA 201 Ca 0.49 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 55.04 3a17 h ALA 201 Cb 0.51 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a17 h ALA 201 CO -0.26 0.58 -0.76 0.28 0.00 0.00 0.00 179.25 179.09 3a17 h VAL 202 N 1.00 1.33 0.00 0.00 2.07 -1.91 -3.49 116.25 115.24 3a17 h VAL 202 Ca 0.24 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.71 3a17 h VAL 202 Cb 0.14 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3a17 h VAL 202 CO -0.03 0.63 0.00 0.61 0.02 0.00 0.00 177.57 178.80 3a17 n GLY 203 N 0.90 0.32 7.00 2.17 0.00 -1.01 -5.10 105.19 109.48 3a17 n GLY 203 Ca -0.09 -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 2.80 3.66 -0.02 0.00 -1.26 -4.57 105.19 105.80 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 -0.18 118.95 123.77 3a17 s ARG 205 Ca 0.00 0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.70 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 -0.18 -0.13 0.08 0.02 0.00 0.00 175.30 175.09 3a17 s VAL 206 N 1.73 1.20 -0.19 3.52 1.01 0.14 -4.21 120.40 123.60 3a17 s VAL 206 Ca 0.25 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3a17 s VAL 206 Cb -0.16 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.16 3a17 s VAL 206 CO 0.10 0.37 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 3a17 s VAL 207 N 0.50 2.36 -0.14 2.92 1.01 -0.52 -0.35 120.40 126.19 3a17 s VAL 207 Ca -0.12 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 3a17 s VAL 207 Cb -0.15 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3a17 s VAL 207 CO 0.03 0.50 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 3a17 s VAL 208 N 1.33 4.34 -0.17 2.92 1.01 -0.20 -1.03 120.40 128.61 3a17 s VAL 208 Ca 0.05 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 3a17 s VAL 208 Cb -0.13 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3a17 s VAL 208 CO -0.11 0.52 0.28 -0.60 0.00 0.00 0.00 175.10 175.20 3a17 s ARG 209 N -0.09 4.24 0.69 2.72 3.52 0.10 -3.35 118.95 126.78 3a17 s ARG 209 Ca 0.04 0.06 -0.09 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 0.21 1.03 0.20 -0.81 0.00 0.00 175.30 175.95 3a17 s GLY 210 N 0.54 1.63 0.45 8.12 0.00 -1.26 -2.15 107.32 114.64 3a17 s GLY 210 Ca 0.16 -0.61 0.07 0.00 0.00 0.00 0.00 44.72 44.33 3a17 s GLY 210 CO 0.04 -0.24 0.32 -2.38 0.00 0.00 0.00 173.10 170.83 3a17 s HIS 211 N -3.26 2.38 0.35 1.90 -3.43 -1.26 -4.66 115.29 107.31 3a17 s HIS 211 Ca 0.58 -0.62 -0.28 0.00 -0.80 0.00 0.00 55.06 53.93 3a17 s HIS 211 Cb -0.11 -2.03 -0.12 0.00 -1.43 0.00 0.00 32.58 28.89 3a17 s HIS 211 CO 0.48 -0.11 1.40 -0.25 -2.00 0.00 0.00 174.74 174.26 3a17 n ASP 212 N -1.50 3.30 -3.85 7.38 8.00 -1.11 -3.53 116.55 125.24 3a17 n ASP 212 Ca 0.00 1.21 -0.27 0.00 0.71 0.00 0.00 54.79 56.45 3a17 n ASP 212 Cb 0.63 -1.55 0.02 0.00 -0.02 0.00 0.00 41.12 40.21 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 0.76 -3.15 -4.77 -2.24 3.02 0.82 -3.46 115.26 106.24 3a17 n ASN 213 Ca 0.04 -0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 53.39 3a17 n ASN 213 Cb 0.37 -3.87 -0.01 0.00 -0.61 0.00 0.00 39.78 35.66 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 -3.48 3.12 -0.08 2.41 1.01 -1.23 -4.39 121.20 118.55 3a17 s ILE 214 Ca 0.38 0.89 0.01 0.00 0.00 0.00 0.00 60.65 61.94 3a17 s ILE 214 Cb -0.19 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 3a17 s ILE 214 CO 0.83 0.04 -0.11 0.00 0.00 0.00 0.00 174.94 175.70 3a17 s ALA 215 N -1.48 2.77 -0.15 9.38 0.00 -0.95 -2.86 121.76 128.47 3a17 s ALA 215 Ca 0.60 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.65 3a17 s ALA 215 Cb -0.30 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 21.70 3a17 s ALA 215 CO 0.37 0.47 -0.17 -1.17 0.00 0.00 0.00 175.76 175.25 3a17 s LEU 216 N -0.43 1.87 -0.12 0.00 2.96 -0.21 -0.01 118.68 122.74 3a17 s LEU 216 Ca 0.06 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3a17 s LEU 216 Cb -0.12 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3a17 s LEU 216 CO 0.02 -0.01 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.45 3a17 s ILE 217 N 1.27 3.53 -0.28 6.68 2.07 -0.55 -0.26 121.20 133.65 3a17 s ILE 217 Ca 0.02 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 58.75 3a17 s ILE 217 Cb -0.14 -2.49 0.05 0.00 0.13 0.00 0.00 42.46 40.01 3a17 s ILE 217 CO -0.09 0.53 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.82 3a17 s ARG 218 N 0.03 2.40 -0.24 3.50 3.52 0.14 -1.19 118.95 127.11 3a17 s ARG 218 Ca -0.02 -1.27 -0.00 0.00 -0.13 0.00 0.00 55.73 54.31 3a17 s ARG 218 Cb -0.14 -3.05 0.03 0.00 -1.56 0.00 0.00 34.95 30.24 3a17 s ARG 218 CO 0.03 -0.58 -0.09 0.45 -0.81 0.00 0.00 175.30 174.30 3a17 s SER 219 N 1.20 4.12 0.31 -2.12 0.15 -1.02 -1.16 113.70 115.18 3a17 s SER 219 Ca -0.06 -0.92 0.09 0.00 0.70 0.00 0.00 55.95 55.76 3a17 s SER 219 Cb -0.20 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 3a17 s SER 219 CO -0.03 -0.11 0.03 -0.83 1.20 0.00 0.00 173.24 173.50 3a17 s GLY 220 N 1.28 1.85 -0.03 9.45 0.00 -0.23 -1.02 107.32 118.62 3a17 s GLY 220 Ca -0.01 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3a17 s GLY 220 CO -0.06 -1.79 0.01 1.20 0.00 0.00 0.00 173.10 172.47 3a17 s GLN 221 N -3.73 0.17 -0.18 2.90 1.11 0.77 -2.86 119.66 117.85 3a17 s GLN 221 Ca 0.34 0.12 -0.02 0.00 0.01 0.00 0.00 55.36 55.81 3a17 s GLN 221 Cb -0.04 -0.40 0.05 0.00 -1.01 0.00 0.00 33.01 31.62 3a17 s GLN 221 CO 0.20 -0.15 0.00 0.34 0.01 0.00 0.00 175.29 175.70 3a17 s ASP 222 N 1.05 2.81 -0.00 5.90 -1.08 0.82 -0.14 116.67 126.03 3a17 s ASP 222 Ca -0.09 -0.73 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 3a17 s ASP 222 Cb -0.13 -0.70 0.00 0.00 -1.46 0.00 0.00 42.92 40.63 3a17 s ASP 222 CO -0.02 -0.26 0.94 -2.67 0.52 0.00 0.00 175.17 173.68 3a17 n TRP 223 N 4.99 0.00 -0.14 -5.34 2.14 -0.45 -0.82 117.44 117.81 3a17 n TRP 223 Ca -0.10 -0.44 -0.03 0.00 2.07 0.00 0.00 57.50 59.00 3a17 n TRP 223 Cb 0.47 -0.04 0.04 0.00 -0.81 0.00 0.00 31.31 30.97 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 0.40 -0.34 -1.67 0.00 -1.78 -2.66 119.26 113.21 3a17 h ALA 224 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a17 h ALA 224 Cb 0.57 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3a17 h ALA 224 CO 0.00 -0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 3a17 n ASP 225 N -5.24 3.03 -4.77 0.00 8.00 -1.26 -4.98 116.55 111.32 3a17 n ASP 225 Ca 0.04 -1.93 -0.36 0.00 0.71 0.00 0.00 54.79 53.25 3a17 n ASP 225 Cb 0.25 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.56 2.87 0.88 2.24 0.00 -1.01 -4.99 121.76 120.19 3a17 s ALA 226 Ca 0.37 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3a17 s ALA 226 Cb 0.21 -3.36 0.12 0.00 0.00 0.00 0.00 23.12 20.09 3a17 s ALA 226 CO 0.30 -0.67 1.10 -1.21 0.00 0.00 0.00 175.76 175.28 3a17 s GLU 227 N -2.93 1.42 0.24 0.00 0.41 -1.26 -4.75 118.70 111.83 3a17 s GLU 227 Ca 0.67 0.69 -0.05 0.00 -0.41 0.00 0.00 54.97 55.87 3a17 s GLU 227 Cb -0.26 -1.84 0.46 0.00 -1.78 0.00 0.00 34.13 30.71 3a17 s GLU 227 CO 0.31 -2.09 1.67 0.00 -0.49 0.00 0.00 175.26 174.66 3a17 h ALA 228 N -1.44 0.92 -0.61 5.21 0.00 -1.99 -1.54 119.26 119.82 3a17 h ALA 228 Ca -0.49 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3a17 h ALA 228 Cb 1.29 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 3a17 h ALA 228 CO 0.57 -0.36 0.10 0.38 0.00 0.00 0.00 179.25 179.94 3a17 h ASP 229 N 0.23 0.94 1.13 0.00 2.03 -1.99 0.97 116.42 119.73 3a17 h ASP 229 Ca 0.42 -0.21 -0.13 0.00 -0.73 0.00 0.00 57.03 56.37 3a17 h ASP 229 Cb 0.72 -0.25 -0.02 0.00 -0.83 0.00 0.00 39.33 38.95 3a17 h ASP 229 CO -0.54 0.94 -0.63 -0.33 -1.03 0.00 0.00 179.24 177.64 3a17 h GLU 230 N 0.93 0.00 -0.50 4.15 5.08 -1.82 -0.20 114.58 122.23 3a17 h GLU 230 Ca 0.19 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3a17 h GLU 230 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3a17 h GLU 230 CO 0.01 0.63 0.04 0.00 -1.00 0.00 0.00 179.01 178.70 3a17 h ARG 231 N 0.00 0.86 -0.30 2.33 3.08 -0.71 -1.99 114.38 117.65 3a17 h ARG 231 Ca -0.01 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 3a17 h ARG 231 Cb 1.37 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.32 3a17 h ARG 231 CO 0.08 0.87 0.04 0.77 -1.07 0.00 0.00 179.97 180.66 3a17 h SER 232 N 0.72 0.48 -0.27 7.04 0.02 -0.70 -1.19 113.55 119.66 3a17 h SER 232 Ca 0.15 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3a17 h SER 232 Cb 0.46 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.79 3a17 h SER 232 CO 0.02 0.63 -0.41 0.25 -1.14 0.00 0.00 176.83 176.18 3a17 h LEU 233 N 0.31 -1.33 0.09 5.07 5.85 -0.96 0.31 115.31 124.65 3a17 h LEU 233 Ca 0.09 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 3a17 h LEU 233 Cb 0.36 0.56 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3a17 h LEU 233 CO 0.01 -0.39 -0.04 0.22 -0.34 0.00 0.00 178.44 177.89 3a17 h TYR 234 N -0.40 -0.12 0.02 1.25 3.20 -1.32 -1.31 116.97 118.30 3a17 h TYR 234 Ca 0.11 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 3a17 h TYR 234 Cb 0.60 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 3a17 h TYR 234 CO -0.54 0.09 -0.92 -0.07 -1.64 0.00 0.00 178.16 175.08 3a17 h LEU 235 N -0.31 0.17 0.09 2.82 3.38 -1.01 0.49 115.31 120.94 3a17 h LEU 235 Ca -0.01 -0.15 -0.37 0.00 0.09 0.00 0.00 57.88 57.44 3a17 h LEU 235 Cb 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3a17 h LEU 235 CO 0.02 1.00 -2.11 0.47 0.09 0.00 0.00 178.44 177.91 3a17 n ASP 236 N -3.57 2.08 -0.08 -0.43 8.00 0.11 -4.34 116.55 118.31 3a17 n ASP 236 Ca -0.03 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3a17 n ASP 236 Cb 0.85 -0.75 -0.14 0.00 -0.02 0.00 0.00 41.12 41.06 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 -3.47 0.68 -0.11 -1.24 -0.58 -0.53 -4.61 120.64 110.78 3a17 n GLU 237 Ca -0.36 0.13 -0.17 0.00 -0.42 0.00 0.00 57.16 56.34 3a17 n GLU 237 Cb 1.02 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 30.23 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 -3.04 1.50 -0.19 -3.67 5.41 -0.93 -4.68 119.36 113.76 3a17 n ILE 238 Ca -0.33 -0.04 -0.00 0.00 1.00 0.00 0.00 62.75 63.37 3a17 n ILE 238 Cb 1.08 -2.17 0.09 0.00 -0.71 0.00 0.00 39.64 37.93 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 -0.15 -1.04 1.39 5.85 -0.23 -1.12 115.31 119.02 3a17 h LEU 239 Ca -0.27 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3a17 h LEU 239 Cb 1.18 0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 3a17 h LEU 239 CO -0.16 -0.06 0.64 -0.65 -0.34 0.00 0.00 178.44 177.87 3a17 h PRO 240 N 0.17 1.11 0.00 5.25 0.11 -1.82 0.45 132.00 137.27 3a17 h PRO 240 Ca 0.30 -0.07 -0.22 0.00 0.11 0.00 0.00 66.00 66.12 3a17 h PRO 240 Cb 0.46 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3a17 h PRO 240 CO -0.44 0.74 -1.09 0.00 -0.21 0.00 0.00 178.00 176.99 3a17 h THR 241 N 1.15 1.57 -0.02 -1.15 1.03 -1.75 -2.16 112.91 111.58 3a17 h THR 241 Ca 0.43 -3.29 0.00 0.00 -0.01 0.00 0.00 66.41 63.54 3a17 h THR 241 Cb 0.19 2.77 -0.00 0.00 -1.07 0.00 0.00 68.15 70.04 3a17 h THR 241 CO -0.17 0.89 0.01 0.25 -0.01 0.00 0.00 175.52 176.49 3a17 h LEU 242 N 0.00 0.01 -0.32 0.00 5.85 -0.74 -1.36 115.31 118.76 3a17 h LEU 242 Ca -0.05 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3a17 h LEU 242 Cb 1.80 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.76 3a17 h LEU 242 CO 0.12 0.01 -0.15 -0.61 -0.34 0.00 0.00 178.44 177.47 3a17 h GLN 243 N 0.02 -0.10 -0.47 1.25 5.75 -0.14 -0.50 115.11 120.92 3a17 h GLN 243 Ca 0.01 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.61 3a17 h GLN 243 Cb 0.00 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.50 3a17 h GLN 243 CO -0.01 -0.06 -0.01 1.03 -2.65 0.00 0.00 178.83 177.12 3a17 h SER 244 N -0.10 -0.23 -0.68 -0.69 0.87 -1.29 0.41 113.55 111.84 3a17 h SER 244 Ca 0.16 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3a17 h SER 244 Cb 0.35 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 3a17 h SER 244 CO -0.38 -0.08 0.35 1.23 -0.53 0.00 0.00 176.83 177.43 3a17 h GLY 245 N 0.10 1.02 1.02 5.77 0.00 -0.57 -1.21 103.07 109.21 3a17 h GLY 245 Ca 0.24 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3a17 h GLY 245 CO -0.41 0.46 0.12 -0.33 0.00 0.00 0.00 176.54 176.39 3a17 h MET 246 N 0.93 0.96 -0.61 4.80 2.07 -0.81 -2.27 114.93 120.00 3a17 h MET 246 Ca 0.24 -0.24 0.06 0.00 -2.07 0.00 0.00 59.70 57.69 3a17 h MET 246 Cb 0.07 -0.12 -0.06 0.00 -1.87 0.00 0.00 31.60 29.62 3a17 h MET 246 CO -0.03 0.89 0.31 -0.44 1.07 0.00 0.00 176.91 178.70 3a17 h ASP 247 N 0.86 0.42 -0.39 1.22 5.19 -0.62 0.18 116.42 123.28 3a17 h ASP 247 Ca 0.18 0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 3a17 h ASP 247 Cb 0.38 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.83 3a17 h ASP 247 CO 0.01 0.27 0.24 0.15 -3.12 0.00 0.00 179.24 176.79 3a17 h PHE 248 N 0.57 0.46 -0.20 4.55 3.57 -1.06 -0.58 116.94 124.25 3a17 h PHE 248 Ca 0.28 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.65 3a17 h PHE 248 Cb 0.22 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3a17 h PHE 248 CO -0.10 0.28 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.71 3a17 h LEU 249 N 0.50 0.56 -0.87 0.59 3.38 -0.95 0.26 115.31 118.77 3a17 h LEU 249 Ca 0.15 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3a17 h LEU 249 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3a17 h LEU 249 CO -0.05 0.95 0.16 -0.09 0.09 0.00 0.00 178.44 179.50 3a17 h ARG 250 N 0.41 1.00 0.00 1.13 2.43 -0.42 -2.62 114.38 116.30 3a17 h ARG 250 Ca 0.02 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3a17 h ARG 250 Cb 0.99 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3a17 h ARG 250 CO 0.09 0.88 -1.04 -0.25 -1.51 0.00 0.00 179.97 178.13 3a17 n ASP 251 N -4.25 0.84 -0.72 -3.80 8.00 -0.25 -4.45 116.55 111.92 3a17 n ASP 251 Ca 0.05 -0.71 0.05 0.00 0.71 0.00 0.00 54.79 54.90 3a17 n ASP 251 Cb 0.24 1.18 0.11 0.00 -0.02 0.00 0.00 41.12 42.64 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 1.40 -0.29 -2.24 3.02 0.89 -4.92 115.26 111.54 3a17 n ASN 252 Ca 0.02 -2.95 -0.09 0.00 -0.03 0.00 0.00 54.58 51.53 3a17 n ASN 252 Cb 0.32 -0.40 -0.08 0.00 -0.61 0.00 0.00 39.78 39.01 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 0.65 -1.24 1.10 7.41 0.00 -1.63 -2.45 103.07 106.92 3a17 h GLY 253 Ca -0.06 0.86 0.08 0.00 0.00 0.00 0.00 47.33 48.20 3a17 h GLY 253 CO 0.03 -0.19 0.41 -2.55 0.00 0.00 0.00 176.54 174.24 3a17 h PRO 254 N -0.05 0.54 0.00 4.80 0.11 -1.90 0.78 132.00 136.28 3a17 h PRO 254 Ca 0.11 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3a17 h PRO 254 Cb 0.35 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 3a17 h PRO 254 CO -0.70 0.36 -0.05 0.00 -0.21 0.00 0.00 178.00 177.40 3a17 h ALA 255 N 1.67 1.20 0.00 -0.75 0.00 -1.83 -3.22 119.26 116.34 3a17 h ALA 255 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3a17 h ALA 255 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3a17 h ALA 255 CO -0.08 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.55 3a17 n VAL 256 N -3.43 0.00 -0.44 0.00 0.24 -0.47 -5.03 118.33 109.19 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 0.17 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.67 1.26 3.26 7.63 0.00 0.14 -4.78 105.19 113.37 3a17 n GLY 257 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 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 8.65 0.67 -2.82 0.00 0.05 -1.31 -3.39 116.97 118.82 3a17 h TYR 259 Ca -0.25 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.40 3a17 h TYR 259 Cb 1.09 -0.20 -0.27 0.00 1.01 0.00 0.00 36.73 38.35 3a17 h TYR 259 CO 0.68 0.29 -0.37 0.45 -1.05 0.00 0.00 178.16 178.16 3a17 s SER 260 N -5.56 -0.40 -0.09 3.88 0.15 -1.07 -4.75 113.70 105.86 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 0.17 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 65.12 3a17 s SER 260 CO 0.76 -0.17 -0.10 0.21 1.20 0.00 0.00 173.24 175.14 3a17 s ASN 261 N 1.16 1.92 -0.04 5.45 2.47 -1.26 -0.49 114.94 124.15 3a17 s ASN 261 Ca -0.08 -0.30 0.05 0.00 0.42 0.00 0.00 52.86 52.96 3a17 s ASN 261 Cb -0.08 -0.82 -0.01 0.00 -1.45 0.00 0.00 41.25 38.89 3a17 s ASN 261 CO -0.09 -0.03 -0.20 -0.13 -3.72 0.00 0.00 177.10 172.92 3a17 s ARG 262 N 1.12 1.98 -0.29 0.43 0.52 0.58 -4.61 118.95 118.67 3a17 s ARG 262 Ca -0.06 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 3a17 s ARG 262 Cb -0.14 -1.73 0.06 0.00 0.52 0.00 0.00 34.95 33.65 3a17 s ARG 262 CO -0.02 0.31 -0.04 0.12 0.02 0.00 0.00 175.30 175.70 3a17 s PHE 263 N -0.10 3.29 0.09 -0.53 5.36 -1.26 -0.44 117.98 124.39 3a17 s PHE 263 Ca -0.02 -2.08 0.09 0.00 -0.96 0.00 0.00 56.93 53.97 3a17 s PHE 263 Cb -0.12 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.44 3a17 s PHE 263 CO 0.02 -0.84 -0.25 0.14 -1.46 0.00 0.00 175.22 172.84 3a17 s VAL 264 N 1.19 2.02 -0.11 3.12 -7.23 0.06 -4.80 120.40 114.66 3a17 s VAL 264 Ca -0.06 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3a17 s VAL 264 Cb -0.20 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3a17 s VAL 264 CO -0.03 0.13 -0.08 -0.60 -0.31 0.00 0.00 175.10 174.22 3a17 s ARG 265 N -1.72 3.15 0.45 4.82 6.06 -0.60 -1.40 118.95 129.71 3a17 s ARG 265 Ca 0.11 -0.58 -0.23 0.00 -2.50 0.00 0.00 55.73 52.52 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 0.43 1.21 -0.80 -2.50 0.00 0.00 175.30 173.68 3a17 s ASN 266 N -0.20 6.13 0.12 -2.12 -0.87 0.02 -0.45 114.94 117.57 3a17 s ASN 266 Ca 0.02 2.41 0.04 0.00 -1.57 0.00 0.00 52.86 53.76 3a17 s ASN 266 Cb -0.13 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.45 3a17 s ASN 266 CO 0.03 -0.96 -0.09 0.27 -2.57 0.00 0.00 177.10 173.78 3a17 s ILE 267 N -1.46 0.99 0.88 0.60 -4.36 0.04 -0.07 121.20 117.81 3a17 s ILE 267 Ca 0.63 -1.88 -0.12 0.00 -0.26 0.00 0.00 60.65 59.02 3a17 s ILE 267 Cb -0.32 -1.64 0.16 0.00 1.25 0.00 0.00 42.46 41.92 3a17 s ILE 267 CO 0.39 -0.70 1.22 1.51 0.24 0.00 0.00 174.94 177.59 3a17 s ASP 268 N -2.88 3.61 0.55 4.36 1.47 -0.44 -4.38 116.67 118.97 3a17 s ASP 268 Ca 0.12 0.18 0.25 0.00 1.18 0.00 0.00 52.55 54.27 3a17 s ASP 268 Cb 0.01 -0.37 1.45 0.00 -0.34 0.00 0.00 42.92 43.67 3a17 s ASP 268 CO -0.01 -2.40 2.03 -0.29 0.68 0.00 0.00 175.17 175.18 3a17 h ILE 269 N -1.28 0.67 -0.00 2.11 6.09 -1.97 -0.55 117.51 122.57 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 1.25 0.78 0.00 0.00 0.47 0.00 0.00 36.82 39.32 3a17 h ILE 269 CO 0.42 0.00 -0.18 0.47 -3.07 0.00 0.00 178.15 175.79 3a17 n ASP 270 N -4.20 0.21 0.00 2.19 8.00 -1.26 -4.89 116.55 116.59 3a17 n ASP 270 Ca 0.06 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3a17 n ASP 270 Cb 0.49 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 1.48 0.74 3.73 0.44 0.00 -0.21 -5.07 105.19 106.30 3a17 n GLY 271 Ca 0.07 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.25 7.41 0.34 1.61 0.01 -1.26 -4.84 114.94 115.96 3a17 s ASN 272 Ca 0.00 1.69 -0.29 0.00 -0.71 0.00 0.00 52.86 53.55 3a17 s ASN 272 Cb 0.00 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 39.00 3a17 s ASN 272 CO 0.00 -0.05 1.41 -0.36 -1.51 0.00 0.00 177.10 176.58 3a17 s PHE 273 N 0.04 2.84 0.29 2.20 0.08 -1.26 -1.33 117.98 120.84 3a17 s PHE 273 Ca 0.45 1.24 0.08 0.00 0.12 0.00 0.00 56.93 58.83 3a17 s PHE 273 Cb -0.22 -3.85 -0.04 0.00 -0.57 0.00 0.00 43.02 38.33 3a17 s PHE 273 CO 0.28 -2.49 0.11 -0.51 -0.10 0.00 0.00 175.22 172.51 3a17 s LEU 274 N -1.71 3.37 -0.73 -0.37 1.43 0.89 -4.86 118.68 116.70 3a17 s LEU 274 Ca 0.52 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.96 3a17 s LEU 274 Cb -0.43 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3a17 s LEU 274 CO 0.56 -0.14 2.93 0.47 0.23 0.00 0.00 176.35 180.40 3a17 n ASP 275 N -1.07 6.90 -3.82 2.29 8.00 -1.26 -4.40 116.55 123.18 3a17 n ASP 275 Ca -0.05 -2.91 -0.13 0.00 0.71 0.00 0.00 54.79 52.42 3a17 n ASP 275 Cb 0.60 -1.36 -0.13 0.00 -0.02 0.00 0.00 41.12 40.20 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 -1.25 1.40 0.21 0.64 1.02 -1.26 -1.35 118.68 118.10 3a17 s LEU 276 Ca 0.62 0.25 -0.05 0.00 0.02 0.00 0.00 54.13 54.97 3a17 s LEU 276 Cb 0.29 0.40 -0.03 0.00 0.02 0.00 0.00 46.19 46.87 3a17 s LEU 276 CO -0.11 -0.06 0.23 -0.94 0.02 0.00 0.00 176.35 175.49 3a17 s SER 277 N 0.25 0.08 0.16 2.29 1.04 0.80 -0.80 113.70 117.52 3a17 s SER 277 Ca -0.02 -1.25 -0.23 0.00 0.48 0.00 0.00 55.95 54.93 3a17 s SER 277 Cb -0.03 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.60 3a17 s SER 277 CO -0.01 -0.93 0.65 -0.72 0.98 0.00 0.00 173.24 173.21 3a17 s TYR 278 N -4.12 -0.47 0.15 5.02 1.13 -0.50 -0.16 117.35 118.41 3a17 s TYR 278 Ca 0.34 0.24 -0.26 0.00 -1.41 0.00 0.00 57.07 55.98 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 0.80 1.21 -2.51 0.00 0.00 175.55 174.29 3a17 s ASN 279 N -2.75 7.40 -0.25 -0.18 3.04 -0.19 -0.76 114.94 121.25 3a17 s ASN 279 Ca 0.03 1.66 0.03 0.00 0.04 0.00 0.00 52.86 54.61 3a17 s ASN 279 Cb -0.02 -2.51 0.05 0.00 -1.54 0.00 0.00 41.25 37.23 3a17 s ASN 279 CO -0.10 0.16 -0.12 -0.63 -3.04 0.00 0.00 177.10 173.37 3a17 s ILE 280 N -0.91 2.10 -0.15 -5.21 1.01 0.42 -2.44 121.20 116.02 3a17 s ILE 280 Ca 0.37 -1.50 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 3a17 s ILE 280 Cb -0.23 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.09 3a17 s ILE 280 CO 0.27 0.05 -0.06 -0.83 0.00 0.00 0.00 174.94 174.37 3a17 s GLY 281 N 1.15 0.91 -0.11 6.18 0.00 -0.33 -0.31 107.32 114.80 3a17 s GLY 281 Ca -0.07 -0.73 -0.16 0.00 0.00 0.00 0.00 44.72 43.76 3a17 s GLY 281 CO -0.06 0.90 0.42 0.30 0.00 0.00 0.00 173.10 174.66 3a17 s HIS 282 N 1.66 3.53 0.14 1.90 3.76 0.36 -1.49 115.29 125.15 3a17 s HIS 282 Ca 0.02 0.82 0.10 0.00 -0.15 0.00 0.00 55.06 55.85 3a17 s HIS 282 Cb -0.14 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.05 3a17 s HIS 282 CO -0.08 0.25 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.25 3a17 s TRP 283 N 0.34 2.11 0.42 1.40 0.52 0.98 -0.90 118.94 123.82 3a17 s TRP 283 Ca 0.23 -0.40 0.14 0.00 0.02 0.00 0.00 56.10 56.09 3a17 s TRP 283 Cb -0.15 -1.12 0.91 0.00 -1.15 0.00 0.00 33.47 31.97 3a17 s TRP 283 CO 0.09 0.34 1.94 0.00 0.02 0.00 0.00 176.95 179.34 3a17 h ALA 284 N 3.73 1.60 -2.62 0.98 0.00 -0.76 -2.53 119.26 119.67 3a17 h ALA 284 Ca -0.48 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3a17 h ALA 284 Cb 1.18 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3a17 h ALA 284 CO 0.42 0.30 0.22 -1.54 0.00 0.00 0.00 179.25 178.65 3a17 s SER 285 N -6.98 -0.59 0.29 0.00 1.04 -1.26 -4.59 113.70 101.62 3a17 s SER 285 Ca -0.04 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.65 3a17 s SER 285 Cb 0.15 0.57 0.45 0.00 0.10 0.00 0.00 66.02 67.29 3a17 s SER 285 CO 0.71 -0.83 1.80 0.25 0.98 0.00 0.00 173.24 176.15 3a17 h LEU 286 N 2.34 0.60 -0.76 2.42 5.85 -1.84 -2.78 115.31 121.15 3a17 h LEU 286 Ca -0.31 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.29 3a17 h LEU 286 Cb 1.25 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3a17 h LEU 286 CO 0.38 0.70 0.48 0.44 -0.34 0.00 0.00 178.44 180.11 3a17 h ASP 287 N 0.59 0.81 -0.20 1.25 5.19 -1.95 -0.02 116.42 122.08 3a17 h ASP 287 Ca 0.11 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.41 3a17 h ASP 287 Cb 0.44 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 3a17 h ASP 287 CO 0.02 0.57 -0.24 1.56 -3.12 0.00 0.00 179.24 178.03 3a17 h GLN 288 N 0.96 0.67 -0.31 3.56 4.20 -1.83 0.24 115.11 122.60 3a17 h GLN 288 Ca 0.30 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3a17 h GLN 288 Cb -0.02 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3a17 h GLN 288 CO -0.10 0.85 0.01 1.25 -0.67 0.00 0.00 178.83 180.17 3a17 h LEU 289 N 0.59 0.52 -0.52 1.46 5.85 -1.32 -1.86 115.31 120.03 3a17 h LEU 289 Ca 0.08 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3a17 h LEU 289 Cb 0.72 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3a17 h LEU 289 CO 0.06 0.69 0.19 -0.33 -0.34 0.00 0.00 178.44 178.71 3a17 h GLU 290 N 0.34 0.37 -0.44 1.25 5.08 -0.58 -2.10 114.58 118.49 3a17 h GLU 290 Ca 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3a17 h GLU 290 Cb 0.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3a17 h GLU 290 CO 0.01 0.24 0.18 0.00 -1.00 0.00 0.00 179.01 178.45 3a17 h ARG 291 N 0.38 0.66 -0.26 2.33 2.47 -0.37 -2.80 114.38 116.78 3a17 h ARG 291 Ca 0.25 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3a17 h ARG 291 Cb 0.26 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3a17 h ARG 291 CO -0.25 0.60 0.17 2.35 0.56 0.00 0.00 179.97 183.40 3a17 h TRP 292 N 0.57 0.34 0.00 3.04 7.01 -1.14 -2.84 115.95 122.92 3a17 h TRP 292 Ca 0.15 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.06 3a17 h TRP 292 Cb 0.18 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 3a17 h TRP 292 CO 0.00 0.24 -0.44 0.66 -2.79 0.00 0.00 178.44 176.11 3a17 h SER 293 N 0.34 0.00 0.11 2.65 4.64 -1.28 0.36 113.55 120.37 3a17 h SER 293 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3a17 h SER 293 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3a17 h SER 293 CO -0.02 0.44 -0.46 -1.84 -0.87 0.00 0.00 176.83 174.08 3a17 n GLU 294 N -3.55 0.87 0.00 4.77 0.28 -1.07 -4.33 120.64 117.62 3a17 n GLU 294 Ca -0.00 -0.65 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 3a17 n GLU 294 Cb 0.56 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.94 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 -0.50 2.71 -4.72 -1.84 3.41 -1.08 -5.00 113.62 106.61 3a17 n SER 295 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.29 3a17 n SER 295 Cb 0.40 0.42 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 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 -1.29 3.66 0.54 7.33 2.46 0.10 -4.94 115.29 123.15 3a17 s HIS 296 Ca 0.00 1.66 0.21 0.00 0.47 0.00 0.00 55.06 57.40 3a17 s HIS 296 Cb 0.00 -3.16 1.40 0.00 -0.13 0.00 0.00 32.58 30.69 3a17 s HIS 296 CO 0.00 -0.20 2.11 -1.00 -2.47 0.00 0.00 174.74 173.17 3a17 h PRO 297 N 6.25 0.00 0.62 2.88 0.13 -1.96 -1.08 132.00 138.83 3a17 h PRO 297 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3a17 h PRO 297 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.35 3a17 h PRO 297 CO 0.75 0.00 -0.30 1.79 -0.23 0.00 0.00 178.00 180.01 3a17 h THR 298 N 0.00 0.17 -0.98 1.56 1.35 -1.92 -0.74 112.91 112.36 3a17 h THR 298 Ca 0.09 -0.35 0.03 0.00 -0.55 0.00 0.00 66.41 65.62 3a17 h THR 298 Cb 0.36 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 66.96 3a17 h THR 298 CO -0.00 0.03 0.64 -0.74 -0.25 0.00 0.00 175.52 175.19 3a17 h HIS 299 N -1.13 1.20 -0.53 4.73 -0.00 -1.82 -2.85 115.15 114.76 3a17 h HIS 299 Ca -0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.28 3a17 h HIS 299 Cb 0.68 -0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3a17 h HIS 299 CO 0.00 0.71 0.18 -0.07 -0.00 0.00 0.00 177.93 178.75 3a17 h LEU 300 N 1.25 0.75 -0.25 0.26 3.38 -1.20 -1.00 115.31 118.50 3a17 h LEU 300 Ca 0.38 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.22 3a17 h LEU 300 Cb -0.03 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 3a17 h LEU 300 CO -0.11 0.75 -0.16 -0.09 0.09 0.00 0.00 178.44 178.91 3a17 h ARG 301 N 0.72 -0.14 -0.01 1.13 2.43 -0.96 -1.26 114.38 116.29 3a17 h ARG 301 Ca 0.17 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3a17 h ARG 301 Cb 0.25 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3a17 h ARG 301 CO -0.01 -0.09 -0.74 -0.84 -1.51 0.00 0.00 179.97 176.78 3a17 h ILE 302 N -0.14 1.49 -0.41 1.20 3.07 -1.39 -2.45 117.51 118.88 3a17 h ILE 302 Ca 0.14 -2.41 0.05 0.00 1.55 0.00 0.00 64.86 64.18 3a17 h ILE 302 Cb 0.35 2.30 -0.04 0.00 -0.27 0.00 0.00 36.82 39.16 3a17 h ILE 302 CO -0.34 0.70 0.16 0.15 -1.05 0.00 0.00 178.15 177.77 3a17 h PHE 303 N 0.06 0.29 -0.07 0.16 3.04 -0.91 -1.24 116.94 118.28 3a17 h PHE 303 Ca -0.02 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 3a17 h PHE 303 Cb 1.30 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.73 3a17 h PHE 303 CO 0.01 0.12 -0.46 1.79 -2.02 0.00 0.00 178.31 177.75 3a17 h THR 304 N 0.34 1.33 -0.23 4.41 1.35 -1.06 -1.90 112.91 117.15 3a17 h THR 304 Ca 0.19 -1.63 -0.02 0.00 -0.55 0.00 0.00 66.41 64.40 3a17 h THR 304 Cb 0.15 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3a17 h THR 304 CO -0.18 0.48 0.08 0.74 -0.25 0.00 0.00 175.52 176.39 3a17 h THR 305 N 0.13 1.18 -0.09 6.82 2.02 -1.09 -1.54 112.91 120.34 3a17 h THR 305 Ca 0.01 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3a17 h THR 305 Cb 0.87 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3a17 h THR 305 CO 0.07 0.18 -0.10 0.15 0.37 0.00 0.00 175.52 176.19 3a17 h PHE 306 N 0.21 -0.24 -0.88 3.16 3.04 -1.05 -0.71 116.94 120.46 3a17 h PHE 306 Ca 0.07 0.01 0.20 0.00 3.98 0.00 0.00 57.97 62.24 3a17 h PHE 306 Cb 0.21 0.12 -0.06 0.00 2.56 0.00 0.00 35.95 38.78 3a17 h PHE 306 CO -0.00 -0.15 0.59 0.74 -2.02 0.00 0.00 178.31 177.47 3a17 h PHE 307 N -0.13 0.49 0.00 0.41 -1.00 -1.23 0.49 116.94 115.97 3a17 h PHE 307 Ca 0.07 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.71 3a17 h PHE 307 Cb 0.23 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.61 3a17 h PHE 307 CO -0.21 0.13 -0.81 0.07 -1.61 0.00 0.00 178.31 175.88 3a17 h ARG 308 N 0.37 0.00 -0.00 1.51 0.11 -0.33 -3.34 114.38 112.70 3a17 h ARG 308 Ca 0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.53 3a17 h ARG 308 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3a17 h ARG 308 CO -0.16 0.61 -0.77 1.33 0.10 0.00 0.00 179.97 181.09 3a17 n VAL 309 N -3.21 0.00 -0.32 0.08 0.24 -0.36 -4.67 118.33 110.09 3a17 n VAL 309 Ca -0.01 -0.12 0.15 0.00 -2.04 0.00 0.00 64.34 62.32 3a17 n VAL 309 Cb 0.82 1.01 0.38 0.00 -1.47 0.00 0.00 33.84 34.58 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 2.44 1.85 -0.59 2.33 0.00 -0.18 -2.28 119.26 122.83 3a17 h ALA 310 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3a17 h ALA 310 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3a17 h ALA 310 CO 0.00 -0.18 0.28 0.00 0.00 0.00 0.00 179.25 179.35 3a17 h ALA 311 N 1.62 1.38 0.00 0.00 0.00 -1.84 -3.19 119.26 117.22 3a17 h ALA 311 Ca 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3a17 h ALA 311 Cb 0.96 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3a17 h ALA 311 CO -0.30 0.49 -0.03 0.41 0.00 0.00 0.00 179.25 179.81 3a17 n GLY 312 N -1.15 4.45 3.71 0.00 0.00 -1.05 -5.00 105.19 106.16 3a17 n GLY 312 Ca 0.05 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 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 -1.28 3.82 0.00 0.99 7.94 -0.88 -4.93 117.00 122.65 3a17 n LEU 313 Ca 0.14 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 3a17 n LEU 313 Cb 0.62 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 43.04 3a17 n LEU 313 CO 0.01 0.01 -0.46 -1.54 -1.11 0.00 0.00 177.39 174.30 3a17 n SER 314 N 3.17 2.31 0.00 1.96 3.41 -1.26 -4.96 113.62 118.24 3a17 n SER 314 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3a17 n SER 314 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 3a17 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a17 n LYS 315 N -2.62 2.15 -1.84 4.33 4.76 -1.26 -5.03 118.16 118.64 3a17 n LYS 315 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3a17 n LYS 315 Cb 0.46 -0.84 -0.03 0.00 -1.84 0.00 0.00 35.03 32.78 3a17 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a17 s LEU 316 N -2.32 4.37 -0.22 -0.35 2.96 -1.26 -4.61 118.68 117.24 3a17 s LEU 316 Ca 0.00 2.78 0.02 0.00 -0.22 0.00 0.00 54.13 56.70 3a17 s LEU 316 Cb 0.00 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.13 3a17 s LEU 316 CO 0.00 -0.88 -0.13 -0.13 -1.32 0.00 0.00 176.35 173.90 3a17 s ARG 317 N 0.61 2.33 0.02 1.98 0.52 -0.00 -4.98 118.95 119.42 3a17 s ARG 317 Ca 0.69 -1.05 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3a17 s ARG 317 Cb -0.46 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.34 3a17 s ARG 317 CO 0.37 -0.44 -0.22 -0.51 0.02 0.00 0.00 175.30 174.52 3a17 s LEU 318 N 1.25 2.11 0.27 2.53 1.43 -1.26 -0.13 118.68 124.88 3a17 s LEU 318 Ca -0.03 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 3a17 s LEU 318 Cb -0.17 -1.08 0.03 0.00 0.03 0.00 0.00 46.19 44.99 3a17 s LEU 318 CO -0.08 0.22 0.71 -0.72 0.23 0.00 0.00 176.35 176.71 3a17 s TYR 319 N -0.67 -0.22 0.17 0.29 1.13 -1.14 -2.12 117.35 114.79 3a17 s TYR 319 Ca 0.08 -0.21 -0.16 0.00 -1.41 0.00 0.00 57.07 55.38 3a17 s TYR 319 Cb -0.09 0.69 0.02 0.00 -1.10 0.00 0.00 41.96 41.49 3a17 s TYR 319 CO 0.01 -1.20 0.45 -3.38 -2.51 0.00 0.00 175.55 168.92 3a17 s HIS 320 N -3.90 -0.05 -0.02 -3.49 -3.43 -0.16 -1.06 115.29 103.17 3a17 s HIS 320 Ca 0.10 -0.29 0.01 0.00 -0.80 0.00 0.00 55.06 54.08 3a17 s HIS 320 Cb -0.05 0.28 0.01 0.00 -1.43 0.00 0.00 32.58 31.38 3a17 s HIS 320 CO 0.05 -0.82 -0.04 -1.83 -2.00 0.00 0.00 174.74 170.10 3a17 s GLU 321 N -3.87 0.56 -0.03 -0.38 -1.05 -0.31 -0.88 118.70 112.73 3a17 s GLU 321 Ca 0.09 -0.12 0.02 0.00 -0.15 0.00 0.00 54.97 54.81 3a17 s GLU 321 Cb 0.01 -0.58 0.01 0.00 -0.44 0.00 0.00 34.13 33.12 3a17 s GLU 321 CO -0.05 0.01 -0.08 0.08 0.95 0.00 0.00 175.26 176.16 3a17 s VAL 322 N 0.43 0.76 0.10 1.83 1.01 -0.41 -0.68 120.40 123.42 3a17 s VAL 322 Ca -0.05 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3a17 s VAL 322 Cb -0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3a17 s VAL 322 CO -0.00 0.25 -0.14 -0.44 0.00 0.00 0.00 175.10 174.77 3a17 s SER 323 N 0.37 1.81 0.09 3.32 0.01 0.64 -0.94 113.70 118.99 3a17 s SER 323 Ca -0.06 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.56 3a17 s SER 323 Cb -0.10 -0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3a17 s SER 323 CO 0.01 -0.12 -0.19 0.68 0.41 0.00 0.00 173.24 174.03 3a17 s VAL 324 N -1.75 1.56 0.05 3.43 -7.23 0.02 -1.04 120.40 115.43 3a17 s VAL 324 Ca 0.03 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.79 3a17 s VAL 324 Cb -0.07 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 3a17 s VAL 324 CO 0.02 -0.08 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.27 3a17 s PHE 325 N -1.15 0.96 0.57 2.82 0.08 -1.14 -4.56 117.98 115.56 3a17 s PHE 325 Ca 0.04 -0.42 -0.19 0.00 0.12 0.00 0.00 56.93 56.48 3a17 s PHE 325 Cb -0.10 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.74 3a17 s PHE 325 CO 0.04 -0.00 1.18 -0.51 -0.10 0.00 0.00 175.22 175.82 3a17 s ASP 326 N -1.41 5.45 0.32 1.36 1.01 -1.26 -0.13 116.67 122.00 3a17 s ASP 326 Ca -0.04 2.31 0.09 0.00 0.71 0.00 0.00 52.55 55.62 3a17 s ASP 326 Cb -0.09 -2.59 0.91 0.00 1.01 0.00 0.00 42.92 42.16 3a17 s ASP 326 CO 0.01 -1.41 1.66 0.00 0.21 0.00 0.00 175.17 175.64 3a17 h ALA 327 N 1.08 1.64 0.00 5.23 0.00 -1.83 -0.30 119.26 125.08 3a17 h ALA 327 Ca -0.50 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3a17 h ALA 327 Cb 1.28 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3a17 h ALA 327 CO 0.56 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3a17 n ALA 328 N -2.48 1.77 -1.08 0.00 0.00 -1.26 -2.93 120.51 114.52 3a17 n ALA 328 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.66 3a17 n ALA 328 Cb 0.84 -1.26 0.28 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.46 4.15 -4.10 0.00 8.00 -0.12 -4.95 116.55 118.06 3a17 n ASP 329 Ca 0.05 -3.21 -0.22 0.00 0.71 0.00 0.00 54.79 52.12 3a17 n ASP 329 Cb 0.18 -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 -2.95 1.11 -0.07 -1.24 -0.21 -1.15 -0.81 119.66 114.34 3a17 s GLN 330 Ca 0.48 -0.50 -0.03 0.00 0.02 0.00 0.00 55.36 55.34 3a17 s GLN 330 Cb 0.39 -1.08 0.04 0.00 1.00 0.00 0.00 33.01 33.37 3a17 s GLN 330 CO 0.10 0.30 0.10 -1.17 -2.12 0.00 0.00 175.29 172.49 3a17 s LEU 331 N -0.34 0.10 -0.34 2.90 0.20 0.23 -4.66 118.68 116.76 3a17 s LEU 331 Ca 0.05 0.06 0.02 0.00 0.69 0.00 0.00 54.13 54.95 3a17 s LEU 331 Cb -0.05 -0.02 0.10 0.00 -0.43 0.00 0.00 46.19 45.79 3a17 s LEU 331 CO -0.00 -0.26 0.09 -0.31 -0.29 0.00 0.00 176.35 175.57 3a17 s TYR 332 N 2.20 2.97 -0.11 5.38 2.02 -1.21 -0.66 117.35 127.94 3a17 s TYR 332 Ca 0.04 -2.57 -0.02 0.00 -0.37 0.00 0.00 57.07 54.15 3a17 s TYR 332 Cb -0.13 -2.47 -0.03 0.00 -0.40 0.00 0.00 41.96 38.93 3a17 s TYR 332 CO -0.05 -0.91 -0.02 -1.21 -1.57 0.00 0.00 175.55 171.79 3a17 s GLU 333 N 1.05 3.23 -0.06 -0.62 2.02 -0.07 -1.03 118.70 123.22 3a17 s GLU 333 Ca 0.11 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.64 3a17 s GLU 333 Cb -0.19 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.25 3a17 s GLU 333 CO -0.13 0.51 -0.05 0.71 0.02 0.00 0.00 175.26 176.33 3a17 s TYR 334 N -0.37 0.85 -0.21 1.61 1.51 0.53 -1.03 117.35 120.24 3a17 s TYR 334 Ca 0.06 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 3a17 s TYR 334 Cb -0.12 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3a17 s TYR 334 CO 0.02 -0.24 -0.14 0.42 -1.11 0.00 0.00 175.55 174.50 3a17 s ILE 335 N 1.12 1.97 -1.42 2.71 1.01 0.62 0.25 121.20 127.46 3a17 s ILE 335 Ca -0.08 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 3a17 s ILE 335 Cb -0.14 -1.95 0.07 0.00 0.01 0.00 0.00 42.46 40.45 3a17 s ILE 335 CO -0.01 0.25 0.66 0.59 0.00 0.00 0.00 174.94 176.43 3a17 n ASN 336 N 4.58 -4.41 -4.88 3.58 3.02 0.74 -0.30 115.26 117.59 3a17 n ASN 336 Ca -0.17 -0.51 -0.34 0.00 -0.03 0.00 0.00 54.58 53.53 3a17 n ASN 336 Cb 0.46 -3.59 -0.05 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.37 2.13 -0.82 0.00 -3.43 -1.26 -4.86 115.29 105.69 3a17 s HIS 338 Ca 0.31 1.56 0.01 0.00 -0.80 0.00 0.00 55.06 56.14 3a17 s HIS 338 Cb -0.13 -3.51 0.05 0.00 -1.43 0.00 0.00 32.58 27.56 3a17 s HIS 338 CO 0.18 -2.57 0.96 -2.30 -2.00 0.00 0.00 174.74 169.01 3a17 n PRO 339 N -2.34 0.01 -0.68 -0.38 -0.02 -1.26 -1.80 135.00 128.53 3a17 n PRO 339 Ca 0.14 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 3a17 n PRO 339 Cb 0.50 -1.60 0.35 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.42 3.05 3.64 -1.23 0.00 -1.26 -2.49 105.19 105.47 3a17 n GLY 340 Ca -0.00 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.30 5.11 0.00 2.61 2.01 -0.74 -4.60 115.64 117.73 3a17 s THR 341 Ca 0.50 0.84 0.00 0.00 0.31 0.00 0.00 61.69 63.34 3a17 s THR 341 Cb 0.35 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3a17 s THR 341 CO 0.19 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 3a17 n GLY 342 N 4.22 3.89 0.01 4.40 0.00 -1.26 -1.37 105.19 115.08 3a17 n GLY 342 Ca -0.05 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 0.18 -0.19 1.61 2.81 -1.26 -3.82 117.12 130.45 3a17 n MET 343 Ca 0.00 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.84 3a17 n MET 343 Cb 0.00 -1.50 0.15 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.04 0.89 -0.70 4.03 3.38 -1.49 -2.86 115.31 118.59 3a17 h LEU 344 Ca 0.00 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3a17 h LEU 344 Cb 0.42 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3a17 h LEU 344 CO 0.00 0.82 0.46 -0.09 0.09 0.00 0.00 178.44 179.72 3a17 h ARG 345 N 0.93 0.90 -0.01 1.13 2.43 -1.59 -3.26 114.38 114.91 3a17 h ARG 345 Ca 0.21 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3a17 h ARG 345 Cb 0.24 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3a17 h ARG 345 CO -0.01 0.59 -0.10 -0.25 -1.51 0.00 0.00 179.97 178.69 3a17 n ASP 346 N -4.62 1.71 -4.74 -3.80 8.00 -1.22 -4.98 116.55 106.90 3a17 n ASP 346 Ca 0.07 -1.36 -0.36 0.00 0.71 0.00 0.00 54.79 53.85 3a17 n ASP 346 Cb 0.04 0.20 0.06 0.00 -0.02 0.00 0.00 41.12 41.40 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a17 s ALA 347 N -1.22 2.38 0.43 2.24 0.00 -1.08 -4.87 121.76 119.65 3a17 s ALA 347 Ca 0.12 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 3a17 s ALA 347 Cb 0.10 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3a17 s ALA 347 CO 0.21 -1.48 0.79 0.14 0.00 0.00 0.00 175.76 175.42 3a17 s VAL 348 N -1.68 4.80 0.00 0.00 -7.23 -0.25 -4.88 120.40 111.17 3a17 s VAL 348 Ca 0.78 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 61.50 3a17 s VAL 348 Cb -0.31 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.86 3a17 s VAL 348 CO 0.38 -0.62 0.00 0.35 -0.31 0.00 0.00 175.10 174.91 3a17 n THR 349 N -1.56 0.00 -0.24 5.32 -2.24 -1.26 -1.32 114.28 112.98 3a17 n THR 349 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3a17 n THR 349 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3a17 n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50