#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a17 n GLY -7 N 0.00 -0.91 0.21 0.23 0.00 -1.26 -4.93 105.19 98.54 3a17 n GLY -7 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.47 3a17 n GLY -7 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a17 h LEU -6 N -0.68 0.63 -7.66 0.99 5.85 -2.06 -3.36 115.31 109.03 3a17 h LEU -6 Ca -0.46 -0.19 -0.67 0.00 0.84 0.00 0.00 57.88 57.40 3a17 h LEU -6 Cb 1.32 -0.17 -0.38 0.00 0.37 0.00 0.00 40.66 41.81 3a17 h LEU -6 CO 0.43 0.65 -0.60 -0.69 -0.34 0.00 0.00 178.44 177.90 3a17 s VAL -5 N -5.46 2.87 0.36 1.05 1.01 -1.26 -5.09 120.40 113.87 3a17 s VAL -5 Ca -0.13 -2.53 -0.28 0.00 0.00 0.00 0.00 61.98 59.04 3a17 s VAL -5 Cb 0.11 -3.00 -0.11 0.00 0.00 0.00 0.00 36.38 33.38 3a17 s VAL -5 CO 0.77 -0.71 1.43 -2.84 0.00 0.00 0.00 175.10 173.75 3a17 s PRO -4 N 0.61 4.19 0.29 2.72 0.02 -1.26 -5.02 135.00 136.55 3a17 s PRO -4 Ca 0.12 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3a17 s PRO -4 Cb -0.22 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 3a17 s PRO -4 CO -0.05 -0.42 0.07 0.50 -0.33 0.00 0.00 177.00 176.78 3a17 s ARG -3 N -1.97 1.51 4.74 5.54 6.06 -1.26 -4.53 118.95 129.05 3a17 s ARG -3 Ca 0.52 -1.82 0.00 0.00 -2.50 0.00 0.00 55.73 51.92 3a17 s ARG -3 Cb -0.44 -0.57 0.00 0.00 0.06 0.00 0.00 34.95 34.00 3a17 s ARG -3 CO 0.59 -0.23 0.00 0.41 -2.50 0.00 0.00 175.30 173.58 3a17 n GLY -2 N -0.56 3.37 0.04 8.12 0.00 -1.26 -0.85 105.19 114.05 3a17 n GLY -2 Ca -0.01 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 5.14 0.31 0.10 1.61 3.41 -0.88 -3.00 113.62 120.30 3a17 n SER -1 Ca 0.00 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.28 3a17 n SER -1 Cb 0.00 -0.62 0.35 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.80 0.86 -2.21 7.33 8.25 -0.03 -4.87 115.22 122.75 3a17 n HIS 0 Ca 0.06 0.25 -0.37 0.00 -0.26 0.00 0.00 57.72 57.40 3a17 n HIS 0 Cb 0.33 -0.89 -0.00 0.00 1.12 0.00 0.00 29.99 30.56 3a17 n HIS 0 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3a17 s MET 1 N -3.12 3.58 0.55 -0.41 1.75 -1.16 -4.70 119.30 115.79 3a17 s MET 1 Ca 0.10 1.78 -0.21 0.00 -1.25 0.00 0.00 55.69 56.10 3a17 s MET 1 Cb 0.12 -2.29 -0.05 0.00 2.84 0.00 0.00 34.83 35.46 3a17 s MET 1 CO 0.63 -0.70 1.29 0.39 -0.65 0.00 0.00 175.02 175.97 3a17 n GLU 2 N -0.76 1.55 -3.44 4.11 1.02 -1.17 -4.77 120.64 117.18 3a17 n GLU 2 Ca 0.09 0.57 -0.32 0.00 -0.02 0.00 0.00 57.16 57.48 3a17 n GLU 2 Cb 0.48 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.36 3a17 n GLU 2 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a17 s SER 3 N -0.96 6.62 0.30 1.62 0.15 -1.26 -1.57 113.70 118.59 3a17 s SER 3 Ca 0.72 0.89 -0.02 0.00 0.70 0.00 0.00 55.95 58.24 3a17 s SER 3 Cb -0.43 -2.21 0.43 0.00 -1.71 0.00 0.00 66.02 62.10 3a17 s SER 3 CO 0.49 -0.05 1.96 0.00 1.20 0.00 0.00 173.24 176.84 3a17 h ALA 4 N 2.62 1.40 -2.24 5.45 0.00 -1.93 -3.43 119.26 121.13 3a17 h ALA 4 Ca -0.47 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 53.82 3a17 h ALA 4 Cb 1.17 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3a17 h ALA 4 CO 0.69 0.55 0.81 0.42 0.00 0.00 0.00 179.25 181.73 3a17 s ILE 5 N -5.91 4.23 0.45 0.00 1.01 -1.26 -4.98 121.20 114.73 3a17 s ILE 5 Ca -0.12 1.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.83 3a17 s ILE 5 Cb 0.18 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 3a17 s ILE 5 CO 0.79 -0.07 0.89 0.61 0.00 0.00 0.00 174.94 177.17 3a17 n GLY 6 N 3.51 -0.54 0.11 6.18 0.00 -1.26 -4.81 105.19 108.39 3a17 n GLY 6 Ca 0.13 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 1.20 -0.02 0.00 1.61 4.81 -1.94 -0.56 114.58 119.68 3a17 h GLU 7 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3a17 h GLU 7 Cb 1.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.74 3a17 h GLU 7 CO 0.55 -0.01 0.00 -2.39 -0.73 0.00 0.00 179.01 176.42 3a17 n HIS 8 N -5.21 0.09 0.80 0.92 1.44 -1.26 -2.40 115.22 109.62 3a17 n HIS 8 Ca -0.03 0.04 0.09 0.00 -2.01 0.00 0.00 57.72 55.81 3a17 n HIS 8 Cb 0.13 -0.56 0.01 0.00 0.12 0.00 0.00 29.99 29.69 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 -1.59 1.90 -4.78 2.39 4.77 -0.25 -4.97 117.00 114.48 3a17 n LEU 9 Ca 0.03 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.83 3a17 n LEU 9 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 3a17 n LEU 9 CO 0.13 0.35 0.70 -1.10 -1.33 0.00 0.00 177.39 176.14 3a17 s GLN 10 N -2.00 4.48 0.33 3.23 -0.21 -0.99 -4.93 119.66 119.57 3a17 s GLN 10 Ca 0.16 1.47 -0.02 0.00 0.02 0.00 0.00 55.36 56.99 3a17 s GLN 10 Cb 0.15 -2.81 -0.00 0.00 1.00 0.00 0.00 33.01 31.34 3a17 s GLN 10 CO 0.42 0.16 0.45 0.00 -2.12 0.00 0.00 175.29 174.20 3a17 s PRO 12 N -3.17 4.19 0.25 0.00 0.02 -1.26 -4.98 135.00 130.04 3a17 s PRO 12 Ca 0.31 2.33 -0.30 0.00 0.02 0.00 0.00 61.00 63.37 3a17 s PRO 12 Cb 0.00 -3.74 -0.09 0.00 0.02 0.00 0.00 34.50 30.68 3a17 s PRO 12 CO 0.20 -0.78 1.19 1.03 -0.33 0.00 0.00 177.00 178.31 3a17 s ARG 13 N 3.14 4.51 -0.08 5.54 0.52 -1.26 -4.86 118.95 126.47 3a17 s ARG 13 Ca 0.75 1.93 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 31.70 3a17 s ARG 13 CO 0.33 -0.00 0.19 0.25 0.02 0.00 0.00 175.30 176.09 3a17 n THR 14 N 1.65 0.47 -4.17 0.02 -2.24 0.36 -4.93 114.28 105.44 3a17 n THR 14 Ca 0.01 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.98 3a17 n THR 14 Cb 0.44 -0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 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 -4.52 3.10 0.58 3.22 1.43 -0.57 -5.00 118.68 116.91 3a17 s LEU 15 Ca -0.06 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3a17 s LEU 15 Cb 0.07 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.55 3a17 s LEU 15 CO 0.60 0.07 0.83 0.42 0.23 0.00 0.00 176.35 178.50 3a17 s THR 16 N 0.94 2.83 0.95 5.49 -4.23 -1.26 -4.68 115.64 115.67 3a17 s THR 16 Ca 0.00 -0.50 -0.13 0.00 -1.18 0.00 0.00 61.69 59.88 3a17 s THR 16 Cb -0.15 -3.10 0.16 0.00 1.34 0.00 0.00 72.50 70.76 3a17 s THR 16 CO 0.01 -0.08 1.13 -0.13 -0.54 0.00 0.00 174.62 175.01 3a17 s ARG 17 N -4.86 0.81 0.00 3.99 0.52 -1.26 -5.00 118.95 113.15 3a17 s ARG 17 Ca 0.56 0.33 0.23 0.00 -0.52 0.00 0.00 55.73 56.33 3a17 s ARG 17 Cb -0.10 -1.80 0.42 0.00 0.52 0.00 0.00 34.95 33.99 3a17 s ARG 17 CO 0.40 -2.43 1.40 2.89 0.02 0.00 0.00 175.30 177.58 3a17 n ARG 18 N -3.93 2.50 -4.23 3.54 1.85 -1.26 -4.93 116.66 110.20 3a17 n ARG 18 Ca 0.06 -2.29 -0.20 0.00 -1.00 0.00 0.00 57.85 54.42 3a17 n ARG 18 Cb 0.59 -1.51 -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 -1.46 1.32 0.92 8.89 -7.23 -1.26 -5.15 120.40 116.42 3a17 s VAL 19 Ca 0.38 -1.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.09 3a17 s VAL 19 Cb 0.23 -1.23 0.15 0.00 0.56 0.00 0.00 36.38 36.08 3a17 s VAL 19 CO 0.31 -0.15 1.14 -2.84 -0.31 0.00 0.00 175.10 173.26 3a17 s PRO 20 N -1.74 1.01 0.40 4.82 0.02 -1.26 -4.92 135.00 133.33 3a17 s PRO 20 Ca 0.01 1.52 0.29 0.00 0.02 0.00 0.00 61.00 62.84 3a17 s PRO 20 Cb -0.10 -1.73 1.32 0.00 0.02 0.00 0.00 34.50 34.01 3a17 s PRO 20 CO 0.03 -2.63 1.86 -0.44 -0.33 0.00 0.00 177.00 175.49 3a17 h ASP 21 N -1.87 0.00 0.64 2.53 5.19 -2.01 -2.11 116.42 118.79 3a17 h ASP 21 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3a17 h ASP 21 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 3a17 h ASP 21 CO 0.42 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.89 3a17 n THR 22 N -2.58 0.02 -1.51 0.35 -2.24 -1.26 -2.08 114.28 104.98 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 0.19 -0.52 -0.02 0.00 -2.10 0.00 0.00 70.33 67.89 3a17 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a17 n TYR 23 N -1.32 0.56 -4.39 4.78 9.36 -0.80 -4.53 117.16 120.82 3a17 n TYR 23 Ca 0.13 0.80 -0.26 0.00 3.32 0.00 0.00 57.90 61.89 3a17 n TYR 23 Cb 0.25 -2.13 -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 -1.05 1.19 0.42 2.97 -4.23 -1.26 -4.29 115.64 109.39 3a17 s THR 24 Ca 0.61 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 3a17 s THR 24 Cb -0.78 -1.12 -0.08 0.00 1.34 0.00 0.00 72.50 71.86 3a17 s THR 24 CO 0.58 0.38 1.23 -2.16 -0.54 0.00 0.00 174.62 174.12 3a17 s PRO 25 N 0.99 3.91 0.11 3.99 0.04 -1.26 -4.92 135.00 137.85 3a17 s PRO 25 Ca -0.08 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.18 3a17 s PRO 25 Cb -0.15 -2.64 0.93 0.00 0.04 0.00 0.00 34.50 32.68 3a17 s PRO 25 CO -0.00 -0.48 1.73 -0.35 0.04 0.00 0.00 177.00 177.93 3a17 n PRO 26 N -0.07 0.11 -3.66 0.56 -0.04 -1.26 -4.79 135.00 125.85 3a17 n PRO 26 Ca 0.05 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.59 3a17 n PRO 26 Cb 0.45 -1.66 -0.06 0.00 -0.04 0.00 0.00 33.50 32.20 3a17 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a17 s PHE 27 N -3.09 -0.27 0.31 0.54 -0.12 -1.26 -5.04 117.98 109.04 3a17 s PHE 27 Ca 0.09 0.23 -0.28 0.00 -0.05 0.00 0.00 56.93 56.92 3a17 s PHE 27 Cb 0.13 0.23 -0.09 0.00 -0.63 0.00 0.00 43.02 42.65 3a17 s PHE 27 CO 0.45 -0.58 1.10 -1.25 -0.05 0.00 0.00 175.22 174.89 3a17 s PRO 28 N -2.52 4.52 0.16 1.99 0.04 -1.26 -5.01 135.00 132.91 3a17 s PRO 28 Ca -0.05 1.76 0.02 0.00 0.04 0.00 0.00 61.00 62.77 3a17 s PRO 28 Cb -0.01 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 3a17 s PRO 28 CO -0.03 0.12 -0.01 -1.64 0.04 0.00 0.00 177.00 175.48 3a17 s MET 29 N -1.68 1.05 0.15 4.56 -1.94 -1.26 -4.90 119.30 115.27 3a17 s MET 29 Ca 0.47 -1.49 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 3a17 s MET 29 Cb -0.30 -0.24 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 3a17 s MET 29 CO 0.39 -0.11 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.64 3a17 s TRP 30 N -3.66 1.18 0.12 -0.03 0.51 0.02 -2.33 118.94 114.75 3a17 s TRP 30 Ca 0.22 -0.86 0.04 0.00 -2.12 0.00 0.00 56.10 53.37 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 0.02 -0.04 -0.10 0.14 -0.51 0.00 0.00 176.95 176.46 3a17 s VAL 31 N -3.47 1.02 0.36 4.03 -7.23 -1.26 0.01 120.40 113.86 3a17 s VAL 31 Ca 0.18 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 3a17 s VAL 31 Cb 0.04 -1.66 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 3a17 s VAL 31 CO 0.00 -0.70 1.51 -0.83 -0.31 0.00 0.00 175.10 174.78 3a17 s GLY 32 N -2.90 2.73 0.03 2.32 0.00 -1.26 -1.10 107.32 107.14 3a17 s GLY 32 Ca 0.12 1.58 0.06 0.00 0.00 0.00 0.00 44.72 46.48 3a17 s GLY 32 CO -0.00 2.34 -0.16 0.50 0.00 0.00 0.00 173.10 175.77 3a17 s ARG 33 N -1.69 2.19 -0.25 2.90 1.81 0.82 -4.80 118.95 119.92 3a17 s ARG 33 Ca 0.55 -0.91 -0.23 0.00 -1.72 0.00 0.00 55.73 53.42 3a17 s ARG 33 Cb -0.47 -2.25 0.07 0.00 -0.45 0.00 0.00 34.95 31.84 3a17 s ARG 33 CO 0.59 0.56 0.67 0.00 -0.68 0.00 0.00 175.30 176.44 3a17 s ALA 34 N -0.92 -1.66 0.98 2.13 0.00 -1.26 -0.58 121.76 120.44 3a17 s ALA 34 Ca 0.15 1.91 -0.08 0.00 0.00 0.00 0.00 51.96 53.93 3a17 s ALA 34 Cb -0.11 -1.11 0.11 0.00 0.00 0.00 0.00 23.12 22.02 3a17 s ALA 34 CO 0.05 -0.32 0.68 -0.40 0.00 0.00 0.00 175.76 175.77 3a17 n ASP 35 N 2.77 0.08 0.00 0.00 5.68 -1.26 -4.91 116.55 118.91 3a17 n ASP 35 Ca -0.14 -1.26 0.06 0.00 -0.50 0.00 0.00 54.79 52.94 3a17 n ASP 35 Cb 0.55 -0.52 0.28 0.00 -1.14 0.00 0.00 41.12 40.30 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 -3.42 0.00 -0.16 -1.12 5.68 -1.26 -2.18 116.55 114.10 3a17 n ASP 36 Ca 0.09 0.20 -0.04 0.00 -0.50 0.00 0.00 54.79 54.54 3a17 n ASP 36 Cb 0.30 -0.33 0.15 0.00 -1.14 0.00 0.00 41.12 40.10 3a17 n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a17 h ALA 37 N 2.52 1.13 -1.97 2.12 0.00 -2.01 -3.39 119.26 117.67 3a17 h ALA 37 Ca 0.00 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 54.11 3a17 h ALA 37 Cb 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3a17 h ALA 37 CO 0.00 0.58 0.84 -1.17 0.00 0.00 0.00 179.25 179.50 3a17 s LEU 38 N -9.36 3.95 0.00 0.00 0.20 -0.92 -4.85 118.68 107.69 3a17 s LEU 38 Ca -0.10 1.10 0.00 0.00 0.69 0.00 0.00 54.13 55.81 3a17 s LEU 38 Cb 0.15 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 3a17 s LEU 38 CO 0.81 -0.86 0.00 0.00 -0.29 0.00 0.00 176.35 176.02 3a17 n GLN 39 N 6.81 2.17 -3.64 1.98 6.02 -1.26 -4.75 117.38 124.71 3a17 n GLN 39 Ca 0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.06 3a17 n GLN 39 Cb 0.47 -1.00 -0.06 0.00 1.02 0.00 0.00 30.24 30.67 3a17 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a17 s GLN 40 N -1.99 0.65 0.29 -1.09 0.74 -1.26 -0.82 119.66 116.17 3a17 s GLN 40 Ca 0.00 1.25 0.06 0.00 0.05 0.00 0.00 55.36 56.72 3a17 s GLN 40 Cb 0.00 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 3a17 s GLN 40 CO 0.00 -0.16 0.34 0.14 -0.55 0.00 0.00 175.29 175.06 3a17 s VAL 41 N 1.95 4.43 -0.15 1.34 -7.23 -0.82 -3.68 120.40 116.26 3a17 s VAL 41 Ca -0.09 -1.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3a17 s VAL 41 Cb -0.07 -3.51 0.02 0.00 0.56 0.00 0.00 36.38 33.38 3a17 s VAL 41 CO -0.19 -0.26 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.47 3a17 s VAL 42 N -2.13 1.81 -0.44 1.32 1.01 -1.02 -3.38 120.40 117.57 3a17 s VAL 42 Ca 0.38 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 3a17 s VAL 42 Cb -0.08 -1.64 0.08 0.00 0.00 0.00 0.00 36.38 34.73 3a17 s VAL 42 CO 0.28 0.50 0.31 -0.04 0.00 0.00 0.00 175.10 176.15 3a17 s MET 43 N 1.15 2.73 -0.43 2.72 -1.94 0.01 -0.86 119.30 122.68 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 -3.91 0.08 0.00 2.01 0.00 0.00 34.83 32.87 3a17 s MET 43 CO -0.07 -0.99 0.29 0.20 -0.01 0.00 0.00 175.02 174.45 3a17 s GLY 44 N 2.31 1.99 -0.45 -0.03 0.00 0.16 -1.42 107.32 109.86 3a17 s GLY 44 Ca 0.03 -2.15 -0.21 0.00 0.00 0.00 0.00 44.72 42.40 3a17 s GLY 44 CO 0.04 0.99 0.66 -0.19 0.00 0.00 0.00 173.10 174.59 3a17 s TYR 45 N 1.48 3.05 -0.19 1.90 1.51 -0.31 -0.56 117.35 124.22 3a17 s TYR 45 Ca 0.03 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.92 3a17 s TYR 45 Cb -0.23 -3.41 -0.02 0.00 -0.11 0.00 0.00 41.96 38.18 3a17 s TYR 45 CO 0.03 -0.92 -0.02 -0.51 -1.11 0.00 0.00 175.55 173.02 3a17 s LEU 46 N 2.85 3.15 0.12 -1.29 1.02 0.28 -0.41 118.68 124.40 3a17 s LEU 46 Ca 0.22 -0.24 0.10 0.00 0.02 0.00 0.00 54.13 54.23 3a17 s LEU 46 Cb -0.15 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3a17 s LEU 46 CO 0.18 0.07 -0.24 -0.83 0.02 0.00 0.00 176.35 175.55 3a17 s GLY 47 N 0.96 1.61 -0.06 -3.19 0.00 0.95 -0.26 107.32 107.33 3a17 s GLY 47 Ca 0.01 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.34 3a17 s GLY 47 CO 0.01 -1.39 -0.15 0.14 0.00 0.00 0.00 173.10 171.71 3a17 s VAL 48 N -1.08 1.35 -0.03 1.40 1.01 0.34 -2.01 120.40 121.38 3a17 s VAL 48 Ca 0.15 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3a17 s VAL 48 Cb -0.10 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3a17 s VAL 48 CO 0.07 0.40 -0.22 -1.58 0.00 0.00 0.00 175.10 173.77 3a17 s GLN 49 N 0.43 2.01 0.15 2.72 0.74 0.20 -0.39 119.66 125.52 3a17 s GLN 49 Ca -0.12 -0.79 -0.15 0.00 0.05 0.00 0.00 55.36 54.35 3a17 s GLN 49 Cb -0.15 -1.83 0.02 0.00 1.10 0.00 0.00 33.01 32.15 3a17 s GLN 49 CO 0.04 0.41 0.40 -0.59 -0.55 0.00 0.00 175.29 175.00 3a17 s PHE 50 N -0.32 -0.03 0.00 1.67 -0.71 -0.17 -0.23 117.98 118.19 3a17 s PHE 50 Ca 0.03 -0.31 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 3a17 s PHE 50 Cb -0.11 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 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 -0.25 2.74 -3.58 1.99 0.63 -1.26 0.12 116.66 117.05 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 32.59 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 -2.77 6.66 0.30 6.15 1.11 -1.26 -4.85 116.67 122.01 3a17 s ASP 52 Ca 0.00 0.80 0.04 0.00 0.18 0.00 0.00 52.55 53.57 3a17 s ASP 52 Cb 0.00 -2.18 0.65 0.00 1.07 0.00 0.00 42.92 42.46 3a17 s ASP 52 CO 0.00 0.22 1.83 -0.08 1.18 0.00 0.00 175.17 178.31 3a17 h GLU 53 N 3.96 0.86 0.00 8.23 4.57 -2.02 -2.03 114.58 128.16 3a17 h GLU 53 Ca -0.50 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.63 3a17 h GLU 53 Cb 1.20 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3a17 h GLU 53 CO 0.65 0.57 0.00 -0.40 -1.18 0.00 0.00 179.01 178.65 3a17 n ASP 54 N -4.64 0.00 -0.15 1.04 5.68 -1.26 -2.99 116.55 114.22 3a17 n ASP 54 Ca 0.20 -1.25 0.11 0.00 -0.50 0.00 0.00 54.79 53.35 3a17 n ASP 54 Cb 0.43 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.80 0.40 0.01 0.11 6.02 -0.76 -4.60 117.38 117.76 3a17 n GLN 55 Ca 0.13 -0.31 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 3a17 n GLN 55 Cb 0.06 -1.49 -0.05 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 0.75 -0.05 -0.60 -1.09 2.43 -1.69 0.20 114.38 114.33 3a17 h ARG 56 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 3a17 h ARG 56 Cb 0.57 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 3a17 h ARG 56 CO 0.00 -0.04 0.34 -1.35 -1.51 0.00 0.00 179.97 177.41 3a17 h PRO 57 N -0.06 0.82 -0.15 0.20 0.11 -1.85 0.43 132.00 131.50 3a17 h PRO 57 Ca 0.05 -0.08 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 3a17 h PRO 57 Cb 0.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 3a17 h PRO 57 CO -0.12 0.59 -0.42 0.00 -0.21 0.00 0.00 178.00 177.85 3a17 h ALA 58 N 1.54 1.00 -0.03 -0.75 0.00 -1.73 -1.63 119.26 117.67 3a17 h ALA 58 Ca 0.21 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 3a17 h ALA 58 Cb 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3a17 h ALA 58 CO -0.04 0.62 -0.57 0.00 0.00 0.00 0.00 179.25 179.26 3a17 h ALA 59 N 1.26 0.10 -0.31 0.00 0.00 0.08 -2.49 119.26 117.91 3a17 h ALA 59 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3a17 h ALA 59 Cb 0.86 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3a17 h ALA 59 CO 0.07 0.35 0.02 -0.07 0.00 0.00 0.00 179.25 179.62 3a17 h LEU 60 N -0.06 0.43 -0.14 0.00 3.38 -0.16 -1.54 115.31 117.22 3a17 h LEU 60 Ca -0.06 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 3a17 h LEU 60 Cb 1.26 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3a17 h LEU 60 CO 0.11 0.48 -0.37 -0.61 0.09 0.00 0.00 178.44 178.14 3a17 h GLN 61 N 0.45 0.51 -0.55 1.13 5.75 -1.35 -1.58 115.11 119.46 3a17 h GLN 61 Ca 0.10 -0.35 0.02 0.00 -0.15 0.00 0.00 58.65 58.27 3a17 h GLN 61 Cb 0.26 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3a17 h GLN 61 CO 0.00 0.97 0.36 0.00 -2.65 0.00 0.00 178.83 177.52 3a17 h ALA 62 N 0.54 1.68 -0.18 3.38 0.00 -1.21 -1.25 119.26 122.23 3a17 h ALA 62 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3a17 h ALA 62 Cb 0.98 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a17 h ALA 62 CO 0.08 0.27 -0.07 1.98 0.00 0.00 0.00 179.25 181.51 3a17 h MET 63 N 0.67 0.36 -0.68 0.00 1.85 -1.24 -2.58 114.93 113.32 3a17 h MET 63 Ca 0.21 -0.15 0.10 0.00 -0.61 0.00 0.00 59.70 59.25 3a17 h MET 63 Cb 0.03 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.00 3a17 h MET 63 CO -0.05 0.65 0.45 0.00 -0.40 0.00 0.00 176.91 177.56 3a17 h ARG 64 N 0.05 0.53 -0.13 0.39 3.08 -0.70 -0.96 114.38 116.64 3a17 h ARG 64 Ca 0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3a17 h ARG 64 Cb 0.54 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3a17 h ARG 64 CO 0.02 0.35 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.70 3a17 h ASP 65 N 0.55 0.35 -0.71 7.04 3.32 -1.18 0.77 116.42 126.55 3a17 h ASP 65 Ca 0.31 -0.49 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 3a17 h ASP 65 Cb 0.49 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3a17 h ASP 65 CO -0.10 0.76 0.41 0.40 -1.72 0.00 0.00 179.24 178.99 3a17 h ILE 66 N -0.07 1.21 -0.37 0.35 2.04 -1.09 -0.46 117.51 119.13 3a17 h ILE 66 Ca 0.02 -0.51 -0.16 0.00 1.00 0.00 0.00 64.86 65.21 3a17 h ILE 66 Cb 0.67 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3a17 h ILE 66 CO 0.03 0.23 -0.42 0.58 0.00 0.00 0.00 178.15 178.58 3a17 h VAL 67 N 1.00 1.27 -0.77 1.67 2.07 -1.12 -2.96 116.25 117.41 3a17 h VAL 67 Ca 0.26 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3a17 h VAL 67 Cb 0.00 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3a17 h VAL 67 CO -0.04 0.53 0.50 0.00 0.02 0.00 0.00 177.57 178.58 3a17 h ALA 68 N 0.77 1.43 0.00 1.67 0.00 -0.47 -1.04 119.26 121.62 3a17 h ALA 68 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a17 h ALA 68 Cb 1.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3a17 h ALA 68 CO 0.10 0.52 0.00 0.78 0.00 0.00 0.00 179.25 180.65 3a17 h GLY 69 N 1.06 0.00 2.00 0.00 0.00 -0.92 -1.19 103.07 104.01 3a17 h GLY 69 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3a17 h GLY 69 CO -0.06 0.00 0.00 0.74 0.00 0.00 0.00 176.54 177.22 3a17 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.14 -3.07 116.94 118.37 3a17 h PHE 70 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a17 h PHE 70 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3a17 h PHE 70 CO 0.00 0.00 0.00 -0.44 -0.60 0.00 0.00 178.31 177.27 3a17 h ASP 71 N 0.00 0.00 -4.04 2.17 3.32 -1.29 -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 0.87 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.57 3a17 h ASP 71 CO 0.00 0.00 0.23 -0.76 -1.72 0.00 0.00 179.24 176.99 3a17 s LEU 72 N -5.48 2.23 0.45 1.55 1.43 -1.16 -4.95 118.68 112.74 3a17 s LEU 72 Ca 0.04 1.57 -0.24 0.00 -1.03 0.00 0.00 54.13 54.47 3a17 s LEU 72 Cb 0.09 -3.96 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 3a17 s LEU 72 CO 0.53 -2.78 1.20 -2.65 0.23 0.00 0.00 176.35 172.88 3a17 n PRO 73 N -3.98 1.69 -1.87 1.29 -0.02 -1.26 -2.74 135.00 128.11 3a17 n PRO 73 Ca 0.07 0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 3a17 n PRO 73 Cb 0.55 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 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 0.09 -4.69 -4.68 2.55 8.00 -1.26 -4.78 116.55 111.78 3a17 n ASP 74 Ca 0.08 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 3a17 n ASP 74 Cb 0.40 -3.67 0.17 0.00 -0.02 0.00 0.00 41.12 38.00 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 -2.57 1.56 0.43 0.44 0.00 -1.11 -4.51 107.32 101.56 3a17 s GLY 75 Ca 0.00 -0.43 -0.24 0.00 0.00 0.00 0.00 44.72 44.05 3a17 s GLY 75 CO 0.00 0.19 1.19 2.56 0.00 0.00 0.00 173.10 177.03 3a17 s PRO 76 N -5.04 3.90 0.55 2.90 0.04 -1.26 -4.93 135.00 131.17 3a17 s PRO 76 Ca 0.65 1.86 0.33 0.00 0.04 0.00 0.00 61.00 63.88 3a17 s PRO 76 Cb -0.18 -2.57 1.52 0.00 0.04 0.00 0.00 34.50 33.32 3a17 s PRO 76 CO 0.57 -0.46 2.05 0.00 0.04 0.00 0.00 177.00 179.20 3a17 h ALA 77 N 2.37 1.06 -2.38 8.56 0.00 -1.29 -3.45 119.26 124.13 3a17 h ALA 77 Ca -0.49 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3a17 h ALA 77 Cb 1.24 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.84 3a17 h ALA 77 CO 0.61 0.07 -0.06 -1.58 0.00 0.00 0.00 179.25 178.30 3a17 s HIS 78 N -3.86 -0.37 0.14 0.00 5.65 -1.20 -4.96 115.29 110.69 3a17 s HIS 78 Ca -0.01 0.51 -0.16 0.00 0.25 0.00 0.00 55.06 55.66 3a17 s HIS 78 Cb 0.11 0.25 0.03 0.00 -1.18 0.00 0.00 32.58 31.79 3a17 s HIS 78 CO 0.54 -0.54 0.40 -3.38 -0.65 0.00 0.00 174.74 171.12 3a17 s HIS 79 N -1.79 -0.14 0.00 3.88 -0.00 -1.26 -1.33 115.29 114.66 3a17 s HIS 79 Ca -0.09 -0.19 -0.23 0.00 -0.00 0.00 0.00 55.06 54.55 3a17 s HIS 79 Cb -0.02 0.25 0.05 0.00 -0.00 0.00 0.00 32.58 32.86 3a17 s HIS 79 CO 0.03 -0.73 0.51 0.16 -0.00 0.00 0.00 174.74 174.71 3a17 s ASP 80 N -2.83 -0.43 -0.03 7.38 1.47 -1.01 -5.00 116.67 116.22 3a17 s ASP 80 Ca 0.05 0.30 0.04 0.00 1.18 0.00 0.00 52.55 54.12 3a17 s ASP 80 Cb 0.02 0.46 -0.03 0.00 -0.34 0.00 0.00 42.92 43.03 3a17 s ASP 80 CO -0.10 -0.62 -0.14 -1.48 0.68 0.00 0.00 175.17 173.51 3a17 s LEU 81 N -1.60 2.76 0.10 2.11 2.34 -1.26 -1.83 118.68 121.30 3a17 s LEU 81 Ca -0.09 -0.23 0.01 0.00 0.06 0.00 0.00 54.13 53.89 3a17 s LEU 81 Cb -0.01 -1.58 -0.04 0.00 -0.56 0.00 0.00 46.19 44.00 3a17 s LEU 81 CO 0.03 0.32 -0.05 0.42 -1.06 0.00 0.00 176.35 176.01 3a17 s THR 82 N -0.79 0.64 0.01 5.48 -4.23 0.13 -0.74 115.64 116.14 3a17 s THR 82 Ca 0.13 -1.93 0.05 0.00 -1.18 0.00 0.00 61.69 58.76 3a17 s THR 82 Cb -0.11 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3a17 s THR 82 CO 0.02 -0.82 -0.17 -2.28 -0.54 0.00 0.00 174.62 170.83 3a17 s HIS 83 N -3.66 1.49 -0.07 3.99 5.04 0.37 -0.43 115.29 122.01 3a17 s HIS 83 Ca 0.13 -0.31 -0.29 0.00 -1.54 0.00 0.00 55.06 53.05 3a17 s HIS 83 Cb 0.06 -0.93 0.07 0.00 0.04 0.00 0.00 32.58 31.82 3a17 s HIS 83 CO -0.04 0.01 0.66 -3.38 -2.34 0.00 0.00 174.74 169.66 3a17 s HIS 84 N -0.56 -0.65 -0.24 3.88 -3.43 -0.43 -1.57 115.29 112.29 3a17 s HIS 84 Ca 0.06 1.18 -0.12 0.00 -0.80 0.00 0.00 55.06 55.38 3a17 s HIS 84 Cb -0.07 0.38 -0.05 0.00 -1.43 0.00 0.00 32.58 31.41 3a17 s HIS 84 CO 0.00 -0.57 0.21 0.42 -2.00 0.00 0.00 174.74 172.80 3a17 s ILE 85 N -1.01 5.32 0.92 -5.38 1.01 -1.26 0.02 121.20 120.82 3a17 s ILE 85 Ca -0.10 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.68 3a17 s ILE 85 Cb -0.01 -3.55 0.17 0.00 0.01 0.00 0.00 42.46 39.08 3a17 s ILE 85 CO 0.09 0.31 1.27 1.51 0.00 0.00 0.00 174.94 178.11 3a17 s ASP 86 N 1.20 3.48 0.00 3.58 1.47 -0.42 -4.92 116.67 121.05 3a17 s ASP 86 Ca 0.10 0.45 0.15 0.00 1.18 0.00 0.00 52.55 54.42 3a17 s ASP 86 Cb -0.14 -0.64 0.84 0.00 -0.34 0.00 0.00 42.92 42.64 3a17 s ASP 86 CO 0.06 -2.52 1.33 -0.46 0.68 0.00 0.00 175.17 174.26 3a17 n ASN 87 N -3.66 0.00 -1.04 2.11 6.94 -1.26 -1.61 115.26 116.73 3a17 n ASN 87 Ca 0.13 -0.29 0.11 0.00 -0.02 0.00 0.00 54.58 54.50 3a17 n ASN 87 Cb 0.60 -0.09 0.18 0.00 -2.36 0.00 0.00 39.78 38.11 3a17 n ASN 87 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a17 n GLN 88 N -1.09 2.35 -0.77 -3.83 1.13 -1.26 -4.96 117.38 108.95 3a17 n GLN 88 Ca 0.10 -2.15 0.00 0.00 -1.94 0.00 0.00 57.00 53.01 3a17 n GLN 88 Cb 0.07 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.95 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 1.35 1.12 3.75 1.08 0.00 -0.63 -5.03 105.19 106.83 3a17 n GLY 89 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3a17 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a17 s TYR 90 N -3.63 3.84 0.04 1.61 1.51 -1.26 -4.82 117.35 114.63 3a17 s TYR 90 Ca 0.00 1.84 -0.20 0.00 -1.01 0.00 0.00 57.07 57.70 3a17 s TYR 90 Cb 0.00 -3.09 -0.06 0.00 -0.11 0.00 0.00 41.96 38.70 3a17 s TYR 90 CO 0.00 0.09 0.59 -1.21 -1.11 0.00 0.00 175.55 173.90 3a17 s GLU 91 N -1.25 4.26 -0.10 -0.62 2.02 0.33 -1.30 118.70 122.04 3a17 s GLU 91 Ca 0.42 0.75 0.01 0.00 0.02 0.00 0.00 54.97 56.17 3a17 s GLU 91 Cb -0.28 -3.29 0.02 0.00 0.10 0.00 0.00 34.13 30.68 3a17 s GLU 91 CO 0.35 0.52 -0.11 -0.80 0.02 0.00 0.00 175.26 175.24 3a17 s ASN 92 N -0.70 2.12 -0.28 -0.19 0.01 0.10 -1.00 114.94 115.01 3a17 s ASN 92 Ca 0.30 -0.34 -0.10 0.00 -0.71 0.00 0.00 52.86 52.01 3a17 s ASN 92 Cb -0.19 -0.91 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 3a17 s ASN 92 CO 0.18 -0.04 0.15 -0.76 -1.51 0.00 0.00 177.10 175.13 3a17 s LEU 93 N 1.21 3.88 -0.14 0.60 1.43 0.47 -1.31 118.68 124.82 3a17 s LEU 93 Ca -0.04 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3a17 s LEU 93 Cb -0.14 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.03 3a17 s LEU 93 CO -0.03 -0.07 -0.18 -0.63 0.23 0.00 0.00 176.35 175.67 3a17 s ILE 94 N 1.70 2.48 -0.18 -0.59 1.01 0.43 -0.51 121.20 125.54 3a17 s ILE 94 Ca 0.07 -0.84 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 3a17 s ILE 94 Cb -0.16 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3a17 s ILE 94 CO 0.08 0.53 0.06 -0.69 0.00 0.00 0.00 174.94 174.92 3a17 s VAL 95 N 0.70 4.74 -0.14 2.92 1.01 0.64 0.21 120.40 130.48 3a17 s VAL 95 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3a17 s VAL 95 Cb -0.16 -3.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3a17 s VAL 95 CO 0.01 0.46 -0.15 0.54 0.00 0.00 0.00 175.10 175.97 3a17 s VAL 96 N 0.40 2.78 -0.05 2.92 0.11 -0.76 0.99 120.40 126.79 3a17 s VAL 96 Ca 0.03 -0.74 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 3a17 s VAL 96 Cb -0.12 -2.17 -0.03 0.00 -1.53 0.00 0.00 36.38 32.53 3a17 s VAL 96 CO 0.00 0.52 -0.09 -0.83 -3.33 0.00 0.00 175.10 171.38 3a17 s GLY 97 N 0.65 1.67 -0.12 6.54 0.00 0.27 -2.39 107.32 113.93 3a17 s GLY 97 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.70 3a17 s GLY 97 CO 0.02 -0.74 -0.14 -0.19 0.00 0.00 0.00 173.10 172.05 3a17 s TYR 98 N -0.84 2.79 0.09 1.90 2.02 -0.44 -0.67 117.35 122.21 3a17 s TYR 98 Ca 0.13 -0.66 0.07 0.00 -0.37 0.00 0.00 57.07 56.24 3a17 s TYR 98 Cb -0.11 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.59 3a17 s TYR 98 CO 0.03 -0.22 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.12 3a17 s TRP 99 N 0.31 2.77 -0.50 2.71 0.51 -0.04 -0.69 118.94 124.01 3a17 s TRP 99 Ca -0.11 -0.14 0.24 0.00 -2.12 0.00 0.00 56.10 53.97 3a17 s TRP 99 Cb -0.16 -1.46 0.40 0.00 -0.81 0.00 0.00 33.47 31.45 3a17 s TRP 99 CO 0.06 0.43 1.53 0.87 -0.51 0.00 0.00 176.95 179.33 3a17 h LYS 100 N 3.67 0.00 -3.79 4.98 1.57 -1.89 -2.70 116.57 118.41 3a17 h LYS 100 Ca -0.49 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.21 3a17 h LYS 100 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 3a17 h LYS 100 CO 0.53 0.00 -0.33 0.16 -0.57 0.00 0.00 179.45 179.24 3a17 s ASP 101 N -5.46 0.07 0.03 0.86 -4.77 -1.24 -4.53 116.67 101.64 3a17 s ASP 101 Ca 0.07 -0.67 -0.23 0.00 -3.30 0.00 0.00 52.55 48.42 3a17 s ASP 101 Cb 0.08 0.37 -0.15 0.00 -1.09 0.00 0.00 42.92 42.13 3a17 s ASP 101 CO 0.68 -0.77 1.43 0.58 0.70 0.00 0.00 175.17 177.78 3a17 h VAL 102 N 2.67 1.28 -0.28 2.11 2.07 -1.89 -3.32 116.25 118.89 3a17 h VAL 102 Ca -0.33 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.25 3a17 h VAL 102 Cb 1.21 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3a17 h VAL 102 CO 0.54 0.25 -0.08 0.77 0.02 0.00 0.00 177.57 179.06 3a17 h SER 103 N -0.15 0.43 0.13 0.57 4.64 -1.98 -2.35 113.55 114.84 3a17 h SER 103 Ca 0.02 -0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 3a17 h SER 103 Cb 0.39 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3a17 h SER 103 CO 0.01 0.56 -0.42 0.77 -0.87 0.00 0.00 176.83 176.88 3a17 h SER 104 N 0.43 0.38 0.00 4.97 4.64 -1.93 0.20 113.55 122.25 3a17 h SER 104 Ca 0.09 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 3a17 h SER 104 Cb 0.41 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3a17 h SER 104 CO 0.02 0.76 -0.45 -0.61 -0.87 0.00 0.00 176.83 175.68 3a17 h GLN 105 N 0.30 0.53 -0.33 4.77 -0.00 -1.57 -2.32 115.11 116.49 3a17 h GLN 105 Ca 0.03 -0.29 -0.05 0.00 -0.00 0.00 0.00 58.65 58.34 3a17 h GLN 105 Cb 0.86 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.34 3a17 h GLN 105 CO 0.07 0.88 0.02 1.25 0.00 0.00 0.00 178.83 181.05 3a17 h HIS 106 N 0.43 0.62 -0.03 3.99 2.76 -0.99 0.27 115.15 122.21 3a17 h HIS 106 Ca 0.03 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.11 3a17 h HIS 106 Cb 0.95 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 29.75 3a17 h HIS 106 CO 0.04 0.68 0.03 0.00 -1.30 0.00 0.00 177.93 177.38 3a17 h ARG 107 N 0.39 0.00 0.04 5.26 3.08 -0.95 -1.40 114.38 120.81 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 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3a17 h ARG 107 CO 0.01 0.00 -0.42 2.35 -1.07 0.00 0.00 179.97 180.85 3a17 h TRP 108 N 0.00 0.17 -0.18 3.04 7.01 -0.94 -2.37 115.95 122.68 3a17 h TRP 108 Ca 0.02 -0.12 0.04 0.00 2.11 0.00 0.00 58.89 60.93 3a17 h TRP 108 Cb 0.08 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 3a17 h TRP 108 CO 0.00 1.16 0.13 0.77 -2.79 0.00 0.00 178.44 177.71 3a17 h SER 109 N -0.79 0.05 0.25 2.65 0.02 -0.20 -2.91 113.55 112.61 3a17 h SER 109 Ca -0.09 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 3a17 h SER 109 Cb 1.24 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3a17 h SER 109 CO 0.02 0.03 -1.80 0.35 -1.14 0.00 0.00 176.83 174.30 3a17 n THR 110 N -4.49 0.33 -1.67 -2.27 -2.24 -0.55 -3.85 114.28 99.53 3a17 n THR 110 Ca 0.01 -0.55 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 3a17 n THR 110 Cb 0.23 -0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.29 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 -2.43 2.34 -0.15 3.42 3.41 -0.89 -4.53 113.62 114.80 3a17 n SER 111 Ca -0.06 1.19 -0.08 0.00 -0.26 0.00 0.00 58.87 59.66 3a17 n SER 111 Cb 0.64 -1.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.13 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 2.36 0.16 -0.58 6.66 2.02 -1.90 -0.63 112.91 121.00 3a17 h THR 112 Ca -0.44 0.00 0.05 0.00 0.77 0.00 0.00 66.41 66.78 3a17 h THR 112 Cb 1.30 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3a17 h THR 112 CO 0.62 0.00 0.39 -0.65 0.37 0.00 0.00 175.52 176.25 3a17 h PRO 113 N -0.25 0.61 0.00 6.66 0.11 -1.94 -0.82 132.00 136.37 3a17 h PRO 113 Ca 0.18 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3a17 h PRO 113 Cb 0.56 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3a17 h PRO 113 CO -0.60 0.40 -0.00 0.82 -0.21 0.00 0.00 178.00 178.41 3a17 h ILE 114 N 0.63 1.72 -0.59 4.15 1.08 -1.64 -3.22 117.51 119.64 3a17 h ILE 114 Ca 0.24 -2.27 -0.04 0.00 -0.39 0.00 0.00 64.86 62.41 3a17 h ILE 114 Cb 0.18 3.24 -0.03 0.00 -3.07 0.00 0.00 36.82 37.14 3a17 h ILE 114 CO -0.07 0.58 0.21 0.00 -0.69 0.00 0.00 178.15 178.18 3a17 h ALA 115 N -0.03 1.26 0.00 1.87 0.00 -0.97 -2.18 119.26 119.22 3a17 h ALA 115 Ca -0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 3a17 h ALA 115 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3a17 h ALA 115 CO 0.00 0.53 -0.61 0.66 0.00 0.00 0.00 179.25 179.84 3a17 h SER 116 N 0.85 0.00 -0.40 0.00 4.64 -1.32 -1.56 113.55 115.75 3a17 h SER 116 Ca 0.20 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.41 3a17 h SER 116 Cb 0.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3a17 h SER 116 CO -0.01 0.61 -0.18 -0.25 -0.87 0.00 0.00 176.83 176.13 3a17 h TRP 117 N 0.00 0.96 -0.01 4.77 7.01 -1.47 -2.41 115.95 124.79 3a17 h TRP 117 Ca -0.01 -0.23 -0.01 0.00 2.11 0.00 0.00 58.89 60.75 3a17 h TRP 117 Cb 1.12 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.96 3a17 h TRP 117 CO 0.00 0.99 -0.02 2.35 -2.79 0.00 0.00 178.44 178.97 3a17 h TRP 118 N 0.65 0.05 0.00 2.65 2.91 -1.29 -3.30 115.95 117.61 3a17 h TRP 118 Ca 0.09 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3a17 h TRP 118 Cb 0.73 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 3a17 h TRP 118 CO 0.06 0.56 -0.01 0.39 -1.03 0.00 0.00 178.44 178.40 3a17 n GLU 119 N -4.80 0.16 -1.60 2.65 1.02 -0.60 -4.88 120.64 112.59 3a17 n GLU 119 Ca -0.08 0.13 -0.44 0.00 -0.02 0.00 0.00 57.16 56.75 3a17 n GLU 119 Cb 0.28 -1.69 -0.01 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.97 1.43 0.02 1.62 2.88 -0.91 -4.89 113.62 111.81 3a17 n SER 120 Ca 0.06 1.16 0.10 0.00 -1.33 0.00 0.00 58.87 58.86 3a17 n SER 120 Cb 0.40 -1.32 0.43 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.61 0.04 0.14 -1.46 4.71 -1.26 -3.08 120.64 120.35 3a17 n GLU 121 Ca 0.09 0.19 0.04 0.00 -0.01 0.00 0.00 57.16 57.47 3a17 n GLU 121 Cb 0.34 -1.57 0.44 0.00 -1.01 0.00 0.00 31.44 29.64 3a17 n GLU 121 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3a17 h ASP 122 N 0.00 0.18 -0.20 1.62 5.19 -1.94 -2.40 116.42 118.88 3a17 h ASP 122 Ca 0.00 -0.03 0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3a17 h ASP 122 Cb 0.38 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3a17 h ASP 122 CO 0.00 0.30 0.14 0.03 -3.12 0.00 0.00 179.24 176.59 3a17 h ARG 123 N 0.19 0.14 0.00 3.56 2.47 -1.86 0.23 114.38 119.10 3a17 h ARG 123 Ca 0.04 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3a17 h ARG 123 Cb 0.29 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3a17 h ARG 123 CO 0.02 0.09 0.00 -0.07 0.56 0.00 0.00 179.97 180.56 3a17 h LEU 124 N 0.14 0.00 -0.75 3.04 3.38 -1.65 -3.33 115.31 116.15 3a17 h LEU 124 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a17 h LEU 124 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3a17 h LEU 124 CO -0.01 0.00 -0.02 -1.54 0.09 0.00 0.00 178.44 176.96 3a17 n SER 125 N -2.68 0.81 0.28 -0.43 3.41 -0.37 -4.61 113.62 110.02 3a17 n SER 125 Ca 0.04 -0.90 0.16 0.00 -0.26 0.00 0.00 58.87 57.91 3a17 n SER 125 Cb 0.43 0.29 0.75 0.00 -0.26 0.00 0.00 64.21 65.42 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 0.18 0.00 0.00 4.04 3.32 -0.73 -3.47 116.42 119.77 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 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3a17 h ASP 126 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 3a17 n GLY 127 N -0.28 2.98 3.81 2.75 0.00 -1.26 -5.03 105.19 108.16 3a17 n GLY 127 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 4.00 0.38 0.99 1.43 -1.26 -4.99 118.68 119.23 3a17 s LEU 128 Ca 0.00 1.77 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 3a17 s LEU 128 Cb 0.00 -4.44 -0.10 0.00 0.03 0.00 0.00 46.19 41.68 3a17 s LEU 128 CO 0.00 -0.39 0.87 -0.83 0.23 0.00 0.00 176.35 176.23 3a17 s GLY 129 N -2.02 2.40 0.01 -3.19 0.00 0.68 -4.78 107.32 100.43 3a17 s GLY 129 Ca 0.61 0.27 0.01 0.00 0.00 0.00 0.00 44.72 45.61 3a17 s GLY 129 CO 0.17 0.54 -0.05 -1.36 0.00 0.00 0.00 173.10 172.39 3a17 s PHE 130 N -2.06 0.45 0.04 1.90 0.08 0.61 -0.63 117.98 118.38 3a17 s PHE 130 Ca 0.58 -0.27 -0.07 0.00 0.12 0.00 0.00 56.93 57.29 3a17 s PHE 130 Cb -0.10 -0.28 -0.00 0.00 -0.57 0.00 0.00 43.02 42.06 3a17 s PHE 130 CO 0.15 -0.05 0.15 -0.59 -0.10 0.00 0.00 175.22 174.78 3a17 s PHE 131 N -0.68 0.13 -0.15 0.36 -0.12 -0.85 -0.26 117.98 116.41 3a17 s PHE 131 Ca -0.04 -0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 56.42 3a17 s PHE 131 Cb -0.05 -0.09 0.04 0.00 -0.63 0.00 0.00 43.02 42.29 3a17 s PHE 131 CO -0.00 -0.40 -0.04 1.03 -0.05 0.00 0.00 175.22 175.76 3a17 s ARG 132 N -2.66 1.24 -0.53 1.99 0.52 -0.22 -0.04 118.95 119.26 3a17 s ARG 132 Ca -0.04 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 3a17 s ARG 132 Cb -0.01 -1.87 0.13 0.00 0.52 0.00 0.00 34.95 33.73 3a17 s ARG 132 CO -0.05 -0.43 0.29 -1.21 0.02 0.00 0.00 175.30 173.92 3a17 s GLU 133 N 1.71 2.10 -0.26 3.54 2.02 0.45 -0.89 118.70 127.37 3a17 s GLU 133 Ca 0.01 -2.47 -0.04 0.00 0.02 0.00 0.00 54.97 52.49 3a17 s GLU 133 Cb -0.15 -3.45 0.01 0.00 0.10 0.00 0.00 34.13 30.65 3a17 s GLU 133 CO -0.07 -1.11 0.01 0.42 0.02 0.00 0.00 175.26 174.52 3a17 s ILE 134 N -0.02 3.44 0.06 -1.63 1.01 0.18 -1.16 121.20 123.08 3a17 s ILE 134 Ca 0.16 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.09 3a17 s ILE 134 Cb -0.23 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 3a17 s ILE 134 CO -0.02 0.18 -0.22 0.68 0.00 0.00 0.00 174.94 175.56 3a17 s VAL 135 N 1.43 1.76 -0.43 2.92 -7.23 -0.51 -0.61 120.40 117.72 3a17 s VAL 135 Ca 0.02 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3a17 s VAL 135 Cb -0.17 -1.54 0.14 0.00 0.56 0.00 0.00 36.38 35.38 3a17 s VAL 135 CO -0.01 0.17 0.24 0.00 -0.31 0.00 0.00 175.10 175.19 3a17 s ALA 136 N -0.88 1.98 0.26 1.32 0.00 0.07 -0.81 121.76 123.70 3a17 s ALA 136 Ca 0.08 -2.50 -0.24 0.00 0.00 0.00 0.00 51.96 49.30 3a17 s ALA 136 Cb -0.09 -1.84 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 3a17 s ALA 136 CO 0.02 -2.07 0.85 -1.25 0.00 0.00 0.00 175.76 173.31 3a17 s PRO 137 N 0.42 4.50 0.81 0.00 0.04 -1.22 -4.83 135.00 134.72 3a17 s PRO 137 Ca 0.18 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 3a17 s PRO 137 Cb -0.23 -2.93 0.08 0.00 0.04 0.00 0.00 34.50 31.46 3a17 s PRO 137 CO -0.00 0.38 1.09 1.03 0.04 0.00 0.00 177.00 179.53 3a17 s ARG 138 N -1.83 1.97 0.31 4.56 0.52 -1.26 -1.93 118.95 121.29 3a17 s ARG 138 Ca 0.45 0.85 0.08 0.00 -0.52 0.00 0.00 55.73 56.59 3a17 s ARG 138 Cb -0.19 -1.89 0.83 0.00 0.52 0.00 0.00 34.95 34.22 3a17 s ARG 138 CO 0.24 -1.75 1.73 0.00 0.02 0.00 0.00 175.30 175.54 3a17 h ALA 139 N -1.20 1.70 0.00 2.13 0.00 -1.27 0.39 119.26 121.01 3a17 h ALA 139 Ca -0.47 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a17 h ALA 139 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a17 h ALA 139 CO 0.56 -0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.71 3a17 n GLU 140 N -4.89 0.05 -0.25 0.00 0.28 -1.26 -3.70 120.64 110.86 3a17 n GLU 140 Ca 0.25 0.18 0.06 0.00 -0.16 0.00 0.00 57.16 57.50 3a17 n GLU 140 Cb 0.69 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 32.24 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 -1.46 2.88 -3.98 3.44 6.02 0.14 -1.65 117.38 122.77 3a17 n GLN 141 Ca 0.05 -2.26 -0.09 0.00 -0.01 0.00 0.00 57.00 54.69 3a17 n GLN 141 Cb 0.19 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 29.92 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 -1.53 0.26 0.09 1.08 -0.71 -1.22 -0.86 117.98 115.09 3a17 s PHE 142 Ca 0.28 -0.55 0.06 0.00 -1.04 0.00 0.00 56.93 55.68 3a17 s PHE 142 Cb 0.18 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 3a17 s PHE 142 CO 0.13 -0.24 -0.16 -1.83 -1.34 0.00 0.00 175.22 171.78 3a17 s GLU 143 N -1.88 0.95 0.10 1.99 4.04 -0.12 -4.70 118.70 119.08 3a17 s GLU 143 Ca -0.12 -1.08 0.07 0.00 0.04 0.00 0.00 54.97 53.88 3a17 s GLU 143 Cb -0.07 -0.99 -0.03 0.00 0.02 0.00 0.00 34.13 33.06 3a17 s GLU 143 CO -0.02 0.22 -0.17 0.95 -1.84 0.00 0.00 175.26 174.39 3a17 s THR 144 N -1.46 1.44 -0.07 1.83 -4.23 -1.26 -1.31 115.64 110.58 3a17 s THR 144 Ca 0.03 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 3a17 s THR 144 Cb -0.09 -1.39 0.04 0.00 1.34 0.00 0.00 72.50 72.40 3a17 s THR 144 CO 0.03 -0.19 0.15 -0.22 -0.54 0.00 0.00 174.62 173.85 3a17 s LEU 145 N -1.98 0.52 -0.03 4.79 2.96 -0.12 -4.55 118.68 120.27 3a17 s LEU 145 Ca 0.04 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 3a17 s LEU 145 Cb -0.09 0.36 -0.00 0.00 0.50 0.00 0.00 46.19 46.96 3a17 s LEU 145 CO 0.03 -0.17 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.44 3a17 s TYR 146 N 1.44 1.38 -0.37 5.38 2.02 0.10 -0.98 117.35 126.32 3a17 s TYR 146 Ca -0.06 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 3a17 s TYR 146 Cb -0.12 -0.93 0.57 0.00 -0.40 0.00 0.00 41.96 41.08 3a17 s TYR 146 CO -0.06 -0.12 1.74 0.00 -1.57 0.00 0.00 175.55 175.54 3a17 n ALA 147 N 3.13 4.95 -3.26 3.71 0.00 -0.90 -0.80 120.51 127.34 3a17 n ALA 147 Ca -0.18 -2.33 -0.11 0.00 0.00 0.00 0.00 53.44 50.83 3a17 n ALA 147 Cb 0.54 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.71 -0.37 -0.34 0.00 -0.12 -1.26 -4.82 117.98 108.36 3a17 s PHE 148 Ca 0.47 0.10 0.15 0.00 -0.05 0.00 0.00 56.93 57.60 3a17 s PHE 148 Cb 0.39 0.44 -0.20 0.00 -0.63 0.00 0.00 43.02 43.02 3a17 s PHE 148 CO 0.09 -0.81 0.48 1.04 -0.05 0.00 0.00 175.22 175.97 3a17 n GLN 149 N -0.32 1.24 -4.29 1.99 6.02 -1.26 -4.74 117.38 116.01 3a17 n GLN 149 Ca -0.16 -0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.47 3a17 n GLN 149 Cb 0.64 -1.29 -0.11 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.75 1.90 -1.20 -1.09 1.03 -1.26 -4.75 118.70 110.57 3a17 s GLU 150 Ca -0.00 -1.20 -0.15 0.00 0.03 0.00 0.00 54.97 53.64 3a17 s GLU 150 Cb 0.10 -2.14 -0.01 0.00 -0.80 0.00 0.00 34.13 31.29 3a17 s GLU 150 CO 0.62 0.47 0.71 -0.25 -1.33 0.00 0.00 175.26 175.48 3a17 n ASP 151 N 0.54 -4.01 -4.73 0.83 8.00 -1.26 -4.87 116.55 111.05 3a17 n ASP 151 Ca -0.14 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.94 3a17 n ASP 151 Cb 0.54 -3.35 -0.03 0.00 -0.02 0.00 0.00 41.12 38.26 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 -6.59 4.37 0.74 0.64 1.43 -1.26 -5.01 118.68 112.98 3a17 s LEU 152 Ca 0.35 2.81 -0.03 0.00 -1.03 0.00 0.00 54.13 56.23 3a17 s LEU 152 Cb -0.12 -3.60 0.13 0.00 0.03 0.00 0.00 46.19 42.62 3a17 s LEU 152 CO 0.86 -0.91 1.02 -2.16 0.23 0.00 0.00 176.35 175.39 3a17 s PRO 153 N 0.84 1.64 4.34 1.29 0.04 -1.26 -3.07 135.00 138.82 3a17 s PRO 153 Ca 0.71 -0.96 0.00 0.00 0.04 0.00 0.00 61.00 60.79 3a17 s PRO 153 Cb -0.48 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.79 3a17 s PRO 153 CO 0.35 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 176.30 3a17 n GLY 154 N -2.92 1.30 0.32 0.56 0.00 -1.26 -2.79 105.19 100.39 3a17 n GLY 154 Ca 0.14 -0.62 0.21 0.00 0.00 0.00 0.00 46.02 45.75 3a17 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a17 h VAL 155 N 0.00 0.02 -0.49 1.61 3.04 -2.00 -1.98 116.25 116.46 3a17 h VAL 155 Ca 0.00 -0.19 0.04 0.00 -1.01 0.00 0.00 66.70 65.54 3a17 h VAL 155 Cb 0.00 1.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.44 3a17 h VAL 155 CO 0.00 0.00 0.32 1.23 -1.01 0.00 0.00 177.57 178.12 3a17 h GLY 156 N 0.73 0.58 2.00 3.17 0.00 -1.81 -2.02 103.07 105.72 3a17 h GLY 156 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 3a17 h GLY 156 CO 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 176.54 176.64 3a17 h ALA 157 N 1.73 1.25 -0.18 3.60 0.00 -1.28 -2.63 119.26 121.75 3a17 h ALA 157 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a17 h ALA 157 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3a17 h ALA 157 CO -0.05 0.08 0.00 1.33 0.00 0.00 0.00 179.25 180.60 3a17 n VAL 158 N -3.52 0.23 -2.44 0.00 0.24 -0.77 -4.94 118.33 107.13 3a17 n VAL 158 Ca -0.02 -0.61 -0.23 0.00 -2.04 0.00 0.00 64.34 61.43 3a17 n VAL 158 Cb 0.18 1.24 0.06 0.00 -1.47 0.00 0.00 33.84 33.85 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 -1.64 2.25 0.24 7.34 -1.94 -0.99 -4.91 119.30 119.65 3a17 s MET 159 Ca 0.30 -0.61 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 3a17 s MET 159 Cb 0.19 -2.33 0.26 0.00 2.01 0.00 0.00 34.83 34.97 3a17 s MET 159 CO 0.28 -1.06 1.56 -0.44 -0.01 0.00 0.00 175.02 175.36 3a17 h ASP 160 N -0.31 0.17 0.00 3.03 3.32 -1.13 -3.49 116.42 118.01 3a17 h ASP 160 Ca -0.42 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3a17 h ASP 160 Cb 1.30 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3a17 h ASP 160 CO 0.53 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 179.43 3a17 n GLY 161 N 0.32 -1.00 3.80 2.75 0.00 -1.09 -5.01 105.19 104.96 3a17 n GLY 161 Ca -0.02 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 4.97 1.06 -0.61 1.10 -1.26 -0.13 121.20 123.33 3a17 s ILE 162 Ca 0.00 -0.10 -0.16 0.00 -0.51 0.00 0.00 60.65 59.88 3a17 s ILE 162 Cb 0.00 -3.19 0.22 0.00 0.15 0.00 0.00 42.46 39.65 3a17 s ILE 162 CO 0.00 0.53 1.14 -0.94 -2.11 0.00 0.00 174.94 173.55 3a17 s SER 163 N -1.24 2.13 0.93 4.50 1.04 -0.26 -4.84 113.70 115.97 3a17 s SER 163 Ca 0.17 0.80 -0.07 0.00 0.48 0.00 0.00 55.95 57.33 3a17 s SER 163 Cb -0.12 -1.20 0.11 0.00 0.10 0.00 0.00 66.02 64.92 3a17 s SER 163 CO 0.07 -3.39 0.69 0.61 0.98 0.00 0.00 173.24 172.20 3a17 n GLY 164 N -1.58 -0.99 3.69 7.32 0.00 -1.26 -4.75 105.19 107.63 3a17 n GLY 164 Ca 0.10 -1.74 -0.58 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.43 1.01 -3.89 1.61 1.02 -1.26 -4.62 120.64 112.08 3a17 n GLU 165 Ca 0.09 0.37 -0.28 0.00 -0.02 0.00 0.00 57.16 57.32 3a17 n GLU 165 Cb 0.31 -2.03 -0.04 0.00 -0.02 0.00 0.00 31.44 29.67 3a17 n GLU 165 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3a17 s ILE 166 N 2.97 5.32 0.01 -3.67 -5.25 -0.98 -3.04 121.20 116.57 3a17 s ILE 166 Ca 0.97 -0.49 0.05 0.00 -0.99 0.00 0.00 60.65 60.19 3a17 s ILE 166 Cb -1.10 -3.69 -0.24 0.00 2.95 0.00 0.00 42.46 40.37 3a17 s ILE 166 CO 0.64 -0.01 0.89 -1.13 -1.79 0.00 0.00 174.94 173.55 3a17 h ASN 167 N 2.52 0.16 -1.70 4.36 -0.73 -1.59 -3.43 115.58 115.16 3a17 h ASN 167 Ca -0.47 -0.23 -0.77 0.00 1.87 0.00 0.00 56.30 56.70 3a17 h ASN 167 Cb 1.18 -0.05 -0.18 0.00 0.27 0.00 0.00 38.32 39.54 3a17 h ASN 167 CO 0.72 1.20 1.77 -0.62 -0.37 0.00 0.00 177.43 180.12 3a17 n GLU 168 N -3.29 3.85 -3.88 6.67 4.71 -1.26 -4.58 120.64 122.86 3a17 n GLU 168 Ca -0.13 -3.75 -0.08 0.00 -0.01 0.00 0.00 57.16 53.19 3a17 n GLU 168 Cb 1.02 -2.82 -0.03 0.00 -1.01 0.00 0.00 31.44 28.60 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 -0.39 -0.08 0.00 -0.32 -3.43 -1.26 -4.73 115.29 105.08 3a17 s HIS 169 Ca 0.38 -0.36 0.00 0.00 -0.80 0.00 0.00 55.06 54.28 3a17 s HIS 169 Cb 0.09 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.84 3a17 s HIS 169 CO 0.02 -1.18 0.00 0.41 -2.00 0.00 0.00 174.74 171.99 3a17 n GLY 170 N -0.44 0.83 3.25 -1.38 0.00 -1.26 -4.71 105.19 101.47 3a17 n GLY 170 Ca -0.04 0.00 -0.11 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 -2.10 -0.08 0.08 1.61 1.13 -1.26 -4.96 117.35 111.77 3a17 s TYR 171 Ca 0.00 -0.10 -0.31 0.00 -1.41 0.00 0.00 57.07 55.25 3a17 s TYR 171 Cb 0.00 0.09 -0.08 0.00 -1.10 0.00 0.00 41.96 40.87 3a17 s TYR 171 CO 0.00 -0.52 1.48 -1.58 -2.51 0.00 0.00 175.55 172.42 3a17 s TRP 172 N -2.77 2.92 0.00 -3.49 0.52 -1.26 -2.33 118.94 112.54 3a17 s TRP 172 Ca -0.03 0.72 0.00 0.00 0.02 0.00 0.00 56.10 56.80 3a17 s TRP 172 Cb -0.00 -3.79 0.00 0.00 -1.15 0.00 0.00 33.47 28.53 3a17 s TRP 172 CO -0.05 -2.92 0.00 0.41 0.02 0.00 0.00 176.95 174.41 3a17 n GLY 173 N 3.69 0.45 0.11 0.98 0.00 -1.26 -4.96 105.19 104.20 3a17 n GLY 173 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 0.07 1.61 4.64 -1.79 -2.81 113.55 115.27 3a17 h SER 174 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a17 h SER 174 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a17 h SER 174 CO 0.00 0.72 -0.03 -0.03 -0.87 0.00 0.00 176.83 176.61 3a17 h MET 175 N 0.00 -0.09 -0.47 4.77 -1.53 -1.85 -1.33 114.93 114.43 3a17 h MET 175 Ca -0.01 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.35 3a17 h MET 175 Cb 1.53 0.02 -0.08 0.00 -0.55 0.00 0.00 31.60 32.51 3a17 h MET 175 CO 0.09 -0.02 -0.07 -0.09 0.14 0.00 0.00 176.91 176.96 3a17 h ARG 176 N -0.14 0.04 0.00 0.39 2.43 -1.97 -1.95 114.38 113.19 3a17 h ARG 176 Ca -0.01 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3a17 h ARG 176 Cb 0.11 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3a17 h ARG 176 CO 0.02 0.03 0.00 0.93 -1.51 0.00 0.00 179.97 179.43 3a17 h GLU 177 N 0.04 0.00 0.00 0.20 5.08 -1.20 -1.70 114.58 117.00 3a17 h GLU 177 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3a17 h GLU 177 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3a17 h GLU 177 CO -0.45 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.46 3a17 h ARG 178 N 0.00 0.00 -6.26 2.33 3.08 -0.43 -3.44 114.38 109.66 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 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3a17 h ARG 178 CO 0.00 0.00 1.05 -0.06 -1.07 0.00 0.00 179.97 179.89 3a17 s PHE 179 N -3.16 2.32 0.36 3.04 0.40 -0.64 -4.65 117.98 115.65 3a17 s PHE 179 Ca 0.08 0.62 0.12 0.00 -0.60 0.00 0.00 56.93 57.15 3a17 s PHE 179 Cb 0.09 -3.86 0.91 0.00 0.51 0.00 0.00 43.02 40.68 3a17 s PHE 179 CO 0.64 -2.69 1.82 -1.35 0.70 0.00 0.00 175.22 174.35 3a17 h PRO 180 N 9.76 0.57 0.00 0.24 0.11 -1.83 -0.42 132.00 140.43 3a17 h PRO 180 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a17 h PRO 180 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3a17 h PRO 180 CO 0.99 0.38 0.00 0.97 -0.21 0.00 0.00 178.00 180.13 3a17 h ILE 181 N 0.59 0.00 0.00 4.15 2.10 -1.66 -2.57 117.51 120.11 3a17 h ILE 181 Ca 0.52 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 66.25 3a17 h ILE 181 Cb 1.04 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 37.95 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 -3.03 0.00 0.21 2.19 3.41 -0.17 -0.35 113.62 115.88 3a17 n SER 182 Ca -0.01 0.48 0.05 0.00 -0.26 0.00 0.00 58.87 59.13 3a17 n SER 182 Cb 0.17 -0.49 0.44 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3a17 h GLN 183 CO 0.00 0.30 -0.38 0.25 -0.67 0.00 0.00 178.83 178.33 3a17 n THR 184 N -3.95 0.00 -4.59 -0.54 -2.24 -0.85 -0.49 114.28 101.63 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 0.37 -0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.20 4.08 0.00 3.42 -1.08 0.53 -4.78 116.67 117.65 3a17 s ASP 185 Ca 0.00 -0.33 0.28 0.00 -0.52 0.00 0.00 52.55 51.99 3a17 s ASP 185 Cb 0.00 -0.77 1.16 0.00 -1.46 0.00 0.00 42.92 41.85 3a17 s ASP 185 CO 0.00 0.26 1.84 0.79 0.52 0.00 0.00 175.17 178.59 3a17 n TRP 186 N 1.55 0.00 -3.11 -5.34 7.02 -1.26 -4.20 117.44 112.09 3a17 n TRP 186 Ca -0.16 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.10 3a17 n TRP 186 Cb 0.52 -0.31 0.01 0.00 -2.42 0.00 0.00 31.31 29.12 3a17 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a17 n MET 187 N -1.27 -3.96 -2.09 -0.99 2.81 -1.26 -4.94 117.12 105.42 3a17 n MET 187 Ca 0.11 0.70 -0.38 0.00 -1.81 0.00 0.00 57.70 56.31 3a17 n MET 187 Cb 0.30 -5.47 0.00 0.00 -0.71 0.00 0.00 33.22 27.34 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 -5.77 3.77 0.20 0.03 -1.52 -1.26 -4.69 119.66 110.42 3a17 s GLN 188 Ca 0.32 2.02 -0.14 0.00 -1.95 0.00 0.00 55.36 55.61 3a17 s GLN 188 Cb -0.15 -2.56 -0.07 0.00 -0.22 0.00 0.00 33.01 30.00 3a17 s GLN 188 CO 0.39 -0.61 0.61 0.00 -0.25 0.00 0.00 175.29 175.42 3a17 s ALA 189 N -1.37 3.51 0.00 6.09 0.00 -1.26 -4.57 121.76 124.16 3a17 s ALA 189 Ca 0.61 -0.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 3a17 s ALA 189 Cb -0.35 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.22 3a17 s ALA 189 CO 0.43 0.43 0.47 -1.54 0.00 0.00 0.00 175.76 175.55 3a17 s SER 190 N -1.91 -0.38 0.00 0.00 1.04 -1.23 -5.05 113.70 106.17 3a17 s SER 190 Ca 0.43 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3a17 s SER 190 Cb -0.14 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3a17 s SER 190 CO 0.20 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3a17 n GLY 191 N 0.84 -0.76 3.54 7.32 0.00 -1.26 -2.76 105.19 112.11 3a17 n GLY 191 Ca -0.20 -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 -1.77 1.87 -0.30 1.61 8.01 -1.26 -4.89 118.70 121.96 3a17 s GLU 192 Ca 0.00 -1.76 -0.29 0.00 0.01 0.00 0.00 54.97 52.94 3a17 s GLU 192 Cb 0.00 -1.84 0.01 0.00 -4.31 0.00 0.00 34.13 28.00 3a17 s GLU 192 CO 0.00 0.26 1.05 -1.17 0.01 0.00 0.00 175.26 175.41 3a17 s LEU 193 N -3.59 3.98 -0.04 1.80 2.96 -1.26 -4.28 118.68 118.26 3a17 s LEU 193 Ca 0.32 1.11 0.03 0.00 -0.22 0.00 0.00 54.13 55.37 3a17 s LEU 193 Cb -0.03 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3a17 s LEU 193 CO 0.17 -0.81 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.13 3a17 s ARG 194 N 3.49 1.36 0.01 1.98 0.52 -0.92 -0.15 118.95 125.24 3a17 s ARG 194 Ca 0.44 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.92 3a17 s ARG 194 Cb -0.13 -1.21 -0.05 0.00 0.52 0.00 0.00 34.95 34.08 3a17 s ARG 194 CO 0.13 0.15 1.37 0.08 0.02 0.00 0.00 175.30 177.05 3a17 s VAL 195 N 0.19 3.75 -0.37 3.52 1.01 -0.54 -0.01 120.40 127.95 3a17 s VAL 195 Ca -0.05 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.15 3a17 s VAL 195 Cb -0.11 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 3a17 s VAL 195 CO 0.01 0.01 0.32 2.30 0.00 0.00 0.00 175.10 177.75 3a17 n ILE 196 N 4.57 0.00 -3.71 2.22 -5.35 -0.22 -4.91 119.36 111.96 3a17 n ILE 196 Ca 0.13 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 62.12 3a17 n ILE 196 Cb 0.44 1.01 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 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 -1.57 -1.20 0.00 -1.28 0.00 -1.15 -5.00 121.76 111.56 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 22.37 3a17 s ALA 197 CO 0.27 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3a17 n GLY 198 N 2.82 -1.70 3.09 0.00 0.00 -1.26 -1.42 105.19 106.72 3a17 n GLY 198 Ca -0.13 -1.32 -0.12 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 0.16 0.31 1.61 2.15 -1.26 -4.92 116.67 110.72 3a17 s ASP 199 Ca 0.00 0.69 0.03 0.00 0.43 0.00 0.00 52.55 53.70 3a17 s ASP 199 Cb 0.00 0.96 0.62 0.00 -0.30 0.00 0.00 42.92 44.20 3a17 s ASP 199 CO 0.00 -0.24 1.86 -0.65 -0.17 0.00 0.00 175.17 175.96 3a17 h PRO 200 N 8.24 0.89 -0.74 4.34 0.11 -1.92 -2.60 132.00 140.32 3a17 h PRO 200 Ca -0.15 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 3a17 h PRO 200 Cb 1.12 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 3a17 h PRO 200 CO 0.14 0.59 0.35 0.00 -0.21 0.00 0.00 178.00 178.87 3a17 h ALA 201 N 1.55 1.22 -0.05 -0.75 0.00 -1.95 -2.88 119.26 116.40 3a17 h ALA 201 Ca 0.46 -0.15 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 3a17 h ALA 201 Cb 0.50 -0.30 0.02 0.00 0.00 0.00 0.00 17.79 18.01 3a17 h ALA 201 CO -0.23 0.59 -0.85 0.28 0.00 0.00 0.00 179.25 179.04 3a17 h VAL 202 N 1.05 1.31 0.00 0.00 2.07 -1.91 -3.49 116.25 115.29 3a17 h VAL 202 Ca 0.26 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3a17 h VAL 202 Cb 0.11 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3a17 h VAL 202 CO -0.03 0.65 0.00 0.61 0.02 0.00 0.00 177.57 178.82 3a17 n GLY 203 N 0.96 0.34 7.00 2.17 0.00 -1.01 -5.10 105.19 109.55 3a17 n GLY 203 Ca -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.08 3a17 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a17 n GLY 204 N 0.00 2.80 3.66 -0.02 0.00 -1.26 -4.57 105.19 105.80 3a17 n GLY 204 Ca 0.00 -0.39 -0.40 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 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.72 3a17 s ARG 205 Cb 0.00 -3.58 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3a17 s ARG 205 CO 0.00 -0.20 -0.13 0.08 0.02 0.00 0.00 175.30 175.07 3a17 s VAL 206 N 1.80 1.19 -0.19 3.52 1.01 0.14 -4.21 120.40 123.65 3a17 s VAL 206 Ca 0.26 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 3a17 s VAL 206 Cb -0.16 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3a17 s VAL 206 CO 0.10 0.36 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 3a17 s VAL 207 N 0.47 2.35 -0.13 2.92 1.01 -0.51 -0.38 120.40 126.12 3a17 s VAL 207 Ca -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3a17 s VAL 207 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3a17 s VAL 207 CO 0.03 0.49 0.00 -0.69 0.00 0.00 0.00 175.10 174.93 3a17 s VAL 208 N 1.32 4.29 -0.19 2.92 1.01 -0.19 -1.06 120.40 128.51 3a17 s VAL 208 Ca 0.05 -0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 3a17 s VAL 208 Cb -0.14 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3a17 s VAL 208 CO -0.11 0.54 0.30 -0.60 0.00 0.00 0.00 175.10 175.24 3a17 s ARG 209 N -0.22 4.21 0.68 2.72 6.06 0.98 -3.36 118.95 130.02 3a17 s ARG 209 Ca 0.05 0.07 -0.09 0.00 -2.50 0.00 0.00 55.73 53.27 3a17 s ARG 209 Cb -0.12 -3.48 0.03 0.00 0.06 0.00 0.00 34.95 31.44 3a17 s ARG 209 CO 0.02 0.13 1.02 0.20 -2.50 0.00 0.00 175.30 174.17 3a17 s GLY 210 N 0.73 1.63 0.45 8.12 0.00 -1.26 -2.16 107.32 114.83 3a17 s GLY 210 Ca 0.16 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.31 3a17 s GLY 210 CO 0.05 -0.27 0.31 -2.38 0.00 0.00 0.00 173.10 170.81 3a17 s HIS 211 N -3.23 2.35 0.38 1.90 -3.43 -1.26 -4.66 115.29 107.33 3a17 s HIS 211 Ca 0.58 -0.64 -0.28 0.00 -0.80 0.00 0.00 55.06 53.92 3a17 s HIS 211 Cb -0.11 -2.01 -0.11 0.00 -1.43 0.00 0.00 32.58 28.92 3a17 s HIS 211 CO 0.48 -0.10 1.40 -0.25 -2.00 0.00 0.00 174.74 174.27 3a17 n ASP 212 N -1.49 3.33 -3.91 7.38 8.00 -1.11 -3.53 116.55 125.22 3a17 n ASP 212 Ca -0.00 1.20 -0.28 0.00 0.71 0.00 0.00 54.79 56.43 3a17 n ASP 212 Cb 0.64 -1.57 0.01 0.00 -0.02 0.00 0.00 41.12 40.18 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 0.48 -2.64 -4.77 -2.24 3.02 0.90 -3.48 115.26 106.53 3a17 n ASN 213 Ca 0.03 -0.87 -0.37 0.00 -0.03 0.00 0.00 54.58 53.34 3a17 n ASN 213 Cb 0.38 -3.61 -0.01 0.00 -0.61 0.00 0.00 39.78 35.93 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 -3.54 3.13 -0.08 2.41 1.01 -1.23 -4.40 121.20 118.50 3a17 s ILE 214 Ca 0.35 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.90 3a17 s ILE 214 Cb -0.18 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3a17 s ILE 214 CO 0.85 0.02 -0.12 0.00 0.00 0.00 0.00 174.94 175.69 3a17 s ALA 215 N -1.51 2.73 -0.15 9.38 0.00 -0.96 -2.87 121.76 128.37 3a17 s ALA 215 Ca 0.61 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.65 3a17 s ALA 215 Cb -0.29 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.74 3a17 s ALA 215 CO 0.36 0.47 -0.18 -1.17 0.00 0.00 0.00 175.76 175.24 3a17 s LEU 216 N -0.42 1.91 -0.13 0.00 2.96 -0.19 0.02 118.68 122.84 3a17 s LEU 216 Ca 0.05 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3a17 s LEU 216 Cb -0.12 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3a17 s LEU 216 CO 0.02 -0.00 -0.08 -0.51 -1.32 0.00 0.00 176.35 174.46 3a17 s ILE 217 N 1.23 3.56 -0.28 6.68 2.07 -0.56 -0.25 121.20 133.65 3a17 s ILE 217 Ca 0.01 -0.49 -0.00 0.00 -1.41 0.00 0.00 60.65 58.76 3a17 s ILE 217 Cb -0.14 -2.51 0.05 0.00 0.13 0.00 0.00 42.46 39.99 3a17 s ILE 217 CO -0.08 0.53 -0.05 -0.60 -1.91 0.00 0.00 174.94 172.82 3a17 s ARG 218 N 0.09 2.45 -0.24 3.50 3.52 0.09 -1.19 118.95 127.16 3a17 s ARG 218 Ca -0.03 -1.24 -0.00 0.00 -0.13 0.00 0.00 55.73 54.33 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 -0.56 -0.09 0.45 -0.81 0.00 0.00 175.30 174.32 3a17 s SER 219 N 1.22 4.18 0.30 -2.12 0.15 -1.03 -1.08 113.70 115.32 3a17 s SER 219 Ca -0.05 -0.98 0.09 0.00 0.70 0.00 0.00 55.95 55.71 3a17 s SER 219 Cb -0.19 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 3a17 s SER 219 CO -0.03 -0.13 0.03 -0.83 1.20 0.00 0.00 173.24 173.48 3a17 s GLY 220 N 1.26 1.83 -0.03 9.45 0.00 -0.26 -1.13 107.32 118.45 3a17 s GLY 220 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3a17 s GLY 220 CO -0.06 -1.78 0.01 1.20 0.00 0.00 0.00 173.10 172.47 3a17 s GLN 221 N -3.72 0.19 -0.17 2.90 1.11 0.83 -2.86 119.66 117.94 3a17 s GLN 221 Ca 0.34 0.12 -0.02 0.00 0.01 0.00 0.00 55.36 55.80 3a17 s GLN 221 Cb -0.04 -0.42 0.05 0.00 -1.01 0.00 0.00 33.01 31.59 3a17 s GLN 221 CO 0.20 -0.15 0.01 0.34 0.01 0.00 0.00 175.29 175.70 3a17 s ASP 222 N 1.07 2.65 -0.01 5.90 2.15 0.87 -0.15 116.67 129.16 3a17 s ASP 222 Ca -0.09 -0.65 0.02 0.00 0.43 0.00 0.00 52.55 52.25 3a17 s ASP 222 Cb -0.13 -0.63 0.03 0.00 -0.30 0.00 0.00 42.92 41.88 3a17 s ASP 222 CO -0.02 -0.26 0.95 -2.67 -0.17 0.00 0.00 175.17 173.00 3a17 n TRP 223 N 5.03 0.00 -0.15 -5.34 2.14 -0.49 -0.82 117.44 117.80 3a17 n TRP 223 Ca -0.09 -0.48 -0.02 0.00 2.07 0.00 0.00 57.50 58.98 3a17 n TRP 223 Cb 0.48 -0.05 0.05 0.00 -0.81 0.00 0.00 31.31 30.98 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 0.46 -0.41 -1.67 0.00 -1.78 -2.67 119.26 113.18 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 0.61 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3a17 h ALA 224 CO 0.00 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 3a17 n ASP 225 N -5.23 3.29 -4.78 0.00 8.00 -1.26 -4.98 116.55 111.59 3a17 n ASP 225 Ca 0.05 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.23 3a17 n ASP 225 Cb 0.26 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 -1.47 2.87 0.89 2.24 0.00 -1.01 -4.99 121.76 120.29 3a17 s ALA 226 Ca 0.39 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 3a17 s ALA 226 Cb 0.22 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 20.13 3a17 s ALA 226 CO 0.31 -0.59 1.10 -1.21 0.00 0.00 0.00 175.76 175.37 3a17 s GLU 227 N -2.98 1.31 0.23 0.00 0.41 -1.26 -4.75 118.70 111.66 3a17 s GLU 227 Ca 0.67 0.66 -0.09 0.00 -0.41 0.00 0.00 54.97 55.80 3a17 s GLU 227 Cb -0.24 -1.83 0.37 0.00 -1.78 0.00 0.00 34.13 30.65 3a17 s GLU 227 CO 0.28 -2.16 1.64 0.00 -0.49 0.00 0.00 175.26 174.53 3a17 h ALA 228 N -1.49 0.68 -0.71 5.21 0.00 -1.98 -1.51 119.26 119.47 3a17 h ALA 228 Ca -0.50 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3a17 h ALA 228 Cb 1.29 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 3a17 h ALA 228 CO 0.57 -0.41 0.21 0.38 0.00 0.00 0.00 179.25 180.00 3a17 h ASP 229 N 0.09 1.03 1.04 0.00 2.03 -1.99 0.90 116.42 119.52 3a17 h ASP 229 Ca 0.37 -0.20 -0.13 0.00 -0.73 0.00 0.00 57.03 56.35 3a17 h ASP 229 Cb 0.63 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 3a17 h ASP 229 CO -0.63 0.97 -0.62 -0.33 -1.03 0.00 0.00 179.24 177.60 3a17 h GLU 230 N 1.06 0.00 -0.49 4.15 5.08 -1.82 -0.20 114.58 122.35 3a17 h GLU 230 Ca 0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3a17 h GLU 230 Cb 0.31 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3a17 h GLU 230 CO -0.01 0.62 -0.01 0.00 -1.00 0.00 0.00 179.01 178.62 3a17 h ARG 231 N 0.00 0.88 -0.25 2.33 3.08 -0.67 -1.95 114.38 117.79 3a17 h ARG 231 Ca -0.01 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 3a17 h ARG 231 Cb 1.31 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 3a17 h ARG 231 CO 0.08 0.92 -0.01 0.77 -1.07 0.00 0.00 179.97 180.66 3a17 h SER 232 N 0.74 0.45 -0.44 7.04 0.02 -0.71 -1.16 113.55 119.48 3a17 h SER 232 Ca 0.14 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 3a17 h SER 232 Cb 0.52 -0.12 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 3a17 h SER 232 CO 0.03 0.65 -0.50 0.25 -1.14 0.00 0.00 176.83 176.12 3a17 h LEU 233 N 0.23 -1.67 0.13 5.07 7.12 -0.98 0.35 115.31 125.56 3a17 h LEU 233 Ca 0.07 0.24 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 3a17 h LEU 233 Cb 0.43 0.71 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 3a17 h LEU 233 CO 0.01 -0.38 -0.06 0.22 -0.13 0.00 0.00 178.44 178.10 3a17 h TYR 234 N -0.34 -0.16 0.00 1.25 3.20 -1.31 -1.29 116.97 118.31 3a17 h TYR 234 Ca 0.11 -0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.79 3a17 h TYR 234 Cb 0.59 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 3a17 h TYR 234 CO -0.70 0.03 -0.87 -0.07 -1.64 0.00 0.00 178.16 174.92 3a17 h LEU 235 N -0.34 0.20 0.08 2.82 3.38 -0.98 0.52 115.31 120.99 3a17 h LEU 235 Ca -0.02 -0.16 -0.37 0.00 0.09 0.00 0.00 57.88 57.42 3a17 h LEU 235 Cb 0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3a17 h LEU 235 CO 0.03 0.97 -2.11 0.47 0.09 0.00 0.00 178.44 177.88 3a17 n ASP 236 N -3.63 2.06 -0.08 -0.43 8.00 0.12 -4.35 116.55 118.24 3a17 n ASP 236 Ca -0.03 0.12 -0.14 0.00 0.71 0.00 0.00 54.79 55.46 3a17 n ASP 236 Cb 0.80 -0.74 -0.14 0.00 -0.02 0.00 0.00 41.12 41.03 3a17 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a17 n GLU 237 N -3.50 0.68 -0.11 -1.24 -0.58 -0.53 -4.61 120.64 110.75 3a17 n GLU 237 Ca -0.37 0.13 -0.17 0.00 -0.42 0.00 0.00 57.16 56.33 3a17 n GLU 237 Cb 1.00 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 30.22 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 -3.06 1.50 -0.18 -3.67 5.41 -0.94 -4.67 119.36 113.75 3a17 n ILE 238 Ca -0.35 -0.05 -0.00 0.00 1.00 0.00 0.00 62.75 63.35 3a17 n ILE 238 Cb 1.07 -2.16 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 -0.08 -0.94 1.39 5.85 -0.17 -0.99 115.31 119.37 3a17 h LEU 239 Ca -0.28 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3a17 h LEU 239 Cb 1.18 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.32 3a17 h LEU 239 CO -0.17 -0.02 0.59 -0.65 -0.34 0.00 0.00 178.44 177.84 3a17 h PRO 240 N 0.20 1.00 0.01 5.25 0.11 -1.82 0.48 132.00 137.24 3a17 h PRO 240 Ca 0.29 -0.06 -0.22 0.00 0.11 0.00 0.00 66.00 66.12 3a17 h PRO 240 Cb 0.44 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 3a17 h PRO 240 CO -0.41 0.66 -1.09 0.00 -0.21 0.00 0.00 178.00 176.95 3a17 h THR 241 N 1.03 1.61 -0.09 -1.15 1.03 -1.75 -2.16 112.91 111.44 3a17 h THR 241 Ca 0.42 -3.33 0.00 0.00 -0.01 0.00 0.00 66.41 63.49 3a17 h THR 241 Cb 0.25 2.80 -0.00 0.00 -1.07 0.00 0.00 68.15 70.13 3a17 h THR 241 CO -0.20 0.92 0.06 0.25 -0.01 0.00 0.00 175.52 176.54 3a17 h LEU 242 N 0.00 0.10 -0.30 0.00 5.85 -0.72 -1.35 115.31 118.89 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 1.81 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.75 3a17 h LEU 242 CO 0.13 0.07 -0.14 -0.61 -0.34 0.00 0.00 178.44 177.55 3a17 h GLN 243 N 0.12 -0.09 -0.51 1.25 5.75 -0.06 -0.57 115.11 121.00 3a17 h GLN 243 Ca 0.03 0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.63 3a17 h GLN 243 Cb -0.01 0.02 -0.07 0.00 1.07 0.00 0.00 27.48 28.49 3a17 h GLN 243 CO -0.01 -0.06 0.07 0.77 -2.65 0.00 0.00 178.83 176.95 3a17 h SER 244 N -0.10 -0.06 -0.70 -0.69 0.02 -1.28 0.36 113.55 111.11 3a17 h SER 244 Ca 0.16 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 3a17 h SER 244 Cb 0.33 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3a17 h SER 244 CO -0.36 -0.00 0.33 1.23 -1.14 0.00 0.00 176.83 176.88 3a17 h GLY 245 N 0.20 1.08 1.01 -3.77 0.00 -0.57 -1.18 103.07 99.84 3a17 h GLY 245 Ca 0.26 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3a17 h GLY 245 CO -0.36 0.51 0.12 -0.33 0.00 0.00 0.00 176.54 176.48 3a17 h MET 246 N 0.97 0.91 -0.63 4.80 2.07 -0.78 -2.29 114.93 119.99 3a17 h MET 246 Ca 0.24 -0.23 0.07 0.00 -2.07 0.00 0.00 59.70 57.70 3a17 h MET 246 Cb 0.12 -0.11 -0.06 0.00 -1.87 0.00 0.00 31.60 29.68 3a17 h MET 246 CO -0.03 0.86 0.32 -0.44 1.07 0.00 0.00 176.91 178.69 3a17 h ASP 247 N 0.81 0.45 -0.38 1.22 3.32 -0.63 0.20 116.42 121.40 3a17 h ASP 247 Ca 0.17 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3a17 h ASP 247 Cb 0.38 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3a17 h ASP 247 CO 0.01 0.28 0.24 0.15 -1.72 0.00 0.00 179.24 178.20 3a17 h PHE 248 N 0.59 0.46 -0.21 4.55 3.57 -1.05 -0.67 116.94 124.17 3a17 h PHE 248 Ca 0.29 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 3a17 h PHE 248 Cb 0.23 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3a17 h PHE 248 CO -0.10 0.28 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.74 3a17 h LEU 249 N 0.49 0.56 -0.89 0.59 3.38 -0.94 0.27 115.31 118.77 3a17 h LEU 249 Ca 0.14 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 3a17 h LEU 249 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3a17 h LEU 249 CO -0.04 0.93 -0.00 -0.09 0.09 0.00 0.00 178.44 179.32 3a17 h ARG 250 N 0.42 0.82 0.00 1.13 2.43 -0.38 -2.61 114.38 116.19 3a17 h ARG 250 Ca 0.03 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3a17 h ARG 250 Cb 0.95 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 3a17 h ARG 250 CO 0.08 0.83 -1.11 -0.25 -1.51 0.00 0.00 179.97 178.01 3a17 n ASP 251 N -4.21 0.84 -0.68 -3.80 8.00 -0.28 -4.45 116.55 111.96 3a17 n ASP 251 Ca 0.03 -0.66 0.06 0.00 0.71 0.00 0.00 54.79 54.93 3a17 n ASP 251 Cb 0.31 1.23 0.12 0.00 -0.02 0.00 0.00 41.12 42.76 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 -1.61 1.45 -0.31 -2.24 3.02 0.94 -4.92 115.26 111.58 3a17 n ASN 252 Ca 0.01 -3.00 -0.10 0.00 -0.03 0.00 0.00 54.58 51.46 3a17 n ASN 252 Cb 0.33 -0.41 -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 0.64 -1.15 1.42 7.41 0.00 -1.62 -2.48 103.07 107.29 3a17 h GLY 253 Ca -0.06 0.84 0.04 0.00 0.00 0.00 0.00 47.33 48.15 3a17 h GLY 253 CO 0.02 -0.14 0.31 -2.55 0.00 0.00 0.00 176.54 174.18 3a17 h PRO 254 N -0.06 0.48 0.00 4.80 0.11 -1.90 0.70 132.00 136.14 3a17 h PRO 254 Ca 0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3a17 h PRO 254 Cb 0.37 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3a17 h PRO 254 CO -0.74 0.32 -0.04 0.00 -0.21 0.00 0.00 178.00 177.32 3a17 h ALA 255 N 1.73 1.21 0.00 -0.75 0.00 -1.83 -3.22 119.26 116.41 3a17 h ALA 255 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a17 h ALA 255 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a17 h ALA 255 CO -0.05 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.59 3a17 n VAL 256 N -3.45 0.00 -0.43 0.00 0.24 -0.47 -5.03 118.33 109.19 3a17 n VAL 256 Ca -0.02 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3a17 n VAL 256 Cb 0.16 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 3a17 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a17 n GLY 257 N 0.72 1.25 3.27 7.63 0.00 0.12 -4.78 105.19 113.39 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 0.65 -2.85 0.00 0.05 -1.33 -3.39 116.97 118.75 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 -0.19 -0.28 0.00 1.01 0.00 0.00 36.73 38.36 3a17 h TYR 259 CO 0.67 0.27 -0.39 0.45 -1.05 0.00 0.00 178.16 178.12 3a17 s SER 260 N -5.54 -0.38 -0.09 3.88 0.15 -1.08 -4.73 113.70 105.91 3a17 s SER 260 Ca -0.13 0.70 0.01 0.00 0.70 0.00 0.00 55.95 57.23 3a17 s SER 260 Cb 0.17 0.60 0.02 0.00 -1.71 0.00 0.00 66.02 65.10 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 1.20 2.01 -0.04 5.45 2.47 -1.26 -0.53 114.94 124.25 3a17 s ASN 261 Ca -0.08 -0.31 0.05 0.00 0.42 0.00 0.00 52.86 52.94 3a17 s ASN 261 Cb -0.09 -0.85 -0.01 0.00 -1.45 0.00 0.00 41.25 38.85 3a17 s ASN 261 CO -0.09 -0.04 -0.21 -0.13 -3.72 0.00 0.00 177.10 172.91 3a17 s ARG 262 N 1.21 2.03 -0.30 0.43 0.52 0.65 -4.61 118.95 118.88 3a17 s ARG 262 Ca -0.04 -0.74 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 3a17 s ARG 262 Cb -0.14 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.61 3a17 s ARG 262 CO -0.03 0.33 -0.02 0.12 0.02 0.00 0.00 175.30 175.72 3a17 s PHE 263 N -0.13 3.30 0.09 -0.53 5.36 -1.26 -0.37 117.98 124.45 3a17 s PHE 263 Ca -0.01 -2.07 0.10 0.00 -0.96 0.00 0.00 56.93 53.98 3a17 s PHE 263 Cb -0.12 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3a17 s PHE 263 CO 0.02 -0.84 -0.25 0.14 -1.46 0.00 0.00 175.22 172.83 3a17 s VAL 264 N 1.19 2.07 -0.11 3.12 -7.23 0.04 -4.79 120.40 114.68 3a17 s VAL 264 Ca -0.05 -1.56 -0.01 0.00 -1.81 0.00 0.00 61.98 58.55 3a17 s VAL 264 Cb -0.20 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 3a17 s VAL 264 CO -0.03 0.15 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.25 3a17 s ARG 265 N -1.71 3.17 0.46 4.82 6.06 -0.61 -1.40 118.95 129.74 3a17 s ARG 265 Ca 0.11 -0.56 -0.23 0.00 -2.50 0.00 0.00 55.73 52.55 3a17 s ARG 265 Cb -0.10 -2.71 -0.07 0.00 0.06 0.00 0.00 34.95 32.13 3a17 s ARG 265 CO 0.04 0.45 1.18 -0.80 -2.50 0.00 0.00 175.30 173.67 3a17 s ASN 266 N -0.22 6.13 0.11 -2.12 -0.87 -0.04 -0.48 114.94 117.46 3a17 s ASN 266 Ca 0.03 2.35 0.03 0.00 -1.57 0.00 0.00 52.86 53.70 3a17 s ASN 266 Cb -0.13 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.46 3a17 s ASN 266 CO 0.03 -0.95 -0.09 0.27 -2.57 0.00 0.00 177.10 173.79 3a17 s ILE 267 N -1.52 0.93 0.87 0.60 -4.36 0.08 -0.13 121.20 117.68 3a17 s ILE 267 Ca 0.64 -1.84 -0.12 0.00 -0.26 0.00 0.00 60.65 59.07 3a17 s ILE 267 Cb -0.30 -1.58 0.16 0.00 1.25 0.00 0.00 42.46 41.99 3a17 s ILE 267 CO 0.36 -0.70 1.21 1.51 0.24 0.00 0.00 174.94 177.56 3a17 s ASP 268 N -2.81 3.70 0.55 4.36 1.47 -0.45 -4.38 116.67 119.11 3a17 s ASP 268 Ca 0.10 0.22 0.26 0.00 1.18 0.00 0.00 52.55 54.31 3a17 s ASP 268 Cb 0.01 -0.44 1.46 0.00 -0.34 0.00 0.00 42.92 43.61 3a17 s ASP 268 CO -0.01 -2.35 2.01 -0.29 0.68 0.00 0.00 175.17 175.21 3a17 h ILE 269 N -1.25 0.63 0.00 2.11 6.09 -1.97 -0.45 117.51 122.68 3a17 h ILE 269 Ca -0.43 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3a17 h ILE 269 Cb 1.26 0.75 0.00 0.00 0.47 0.00 0.00 36.82 39.30 3a17 h ILE 269 CO 0.44 0.00 -0.19 0.47 -3.07 0.00 0.00 178.15 175.80 3a17 n ASP 270 N -4.16 0.22 0.00 2.19 8.00 -1.26 -4.89 116.55 116.65 3a17 n ASP 270 Ca 0.07 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.81 3a17 n ASP 270 Cb 0.53 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 3a17 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a17 n GLY 271 N 1.49 0.75 3.73 0.44 0.00 -0.18 -5.07 105.19 106.36 3a17 n GLY 271 Ca 0.06 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.23 7.46 0.34 1.61 0.01 -1.26 -4.84 114.94 116.03 3a17 s ASN 272 Ca 0.00 1.74 -0.29 0.00 -0.71 0.00 0.00 52.86 53.61 3a17 s ASN 272 Cb 0.00 -2.57 -0.11 0.00 0.41 0.00 0.00 41.25 38.99 3a17 s ASN 272 CO 0.00 -0.05 1.39 -0.36 -1.51 0.00 0.00 177.10 176.58 3a17 s PHE 273 N -0.05 2.87 0.27 2.20 0.08 -1.26 -1.33 117.98 120.76 3a17 s PHE 273 Ca 0.45 1.27 0.09 0.00 0.12 0.00 0.00 56.93 58.86 3a17 s PHE 273 Cb -0.23 -3.83 -0.04 0.00 -0.57 0.00 0.00 43.02 38.35 3a17 s PHE 273 CO 0.29 -2.39 0.09 -0.51 -0.10 0.00 0.00 175.22 172.60 3a17 s LEU 274 N -1.73 3.40 -0.81 -0.37 1.43 0.81 -4.87 118.68 116.55 3a17 s LEU 274 Ca 0.52 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 3a17 s LEU 274 Cb -0.43 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3a17 s LEU 274 CO 0.56 -0.06 2.91 0.47 0.23 0.00 0.00 176.35 180.45 3a17 n ASP 275 N -1.03 7.06 -3.81 2.29 8.00 -1.26 -4.39 116.55 123.39 3a17 n ASP 275 Ca -0.06 -2.90 -0.13 0.00 0.71 0.00 0.00 54.79 52.42 3a17 n ASP 275 Cb 0.59 -1.37 -0.13 0.00 -0.02 0.00 0.00 41.12 40.18 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 -1.20 1.39 0.21 0.64 1.02 -1.26 -1.40 118.68 118.08 3a17 s LEU 276 Ca 0.62 0.26 -0.05 0.00 0.02 0.00 0.00 54.13 54.98 3a17 s LEU 276 Cb 0.28 0.42 -0.03 0.00 0.02 0.00 0.00 46.19 46.87 3a17 s LEU 276 CO -0.10 -0.06 0.24 -0.94 0.02 0.00 0.00 176.35 175.51 3a17 s SER 277 N 0.25 0.07 0.16 2.29 1.04 0.79 -0.86 113.70 117.45 3a17 s SER 277 Ca -0.02 -1.24 -0.23 0.00 0.48 0.00 0.00 55.95 54.94 3a17 s SER 277 Cb -0.03 0.45 0.07 0.00 0.10 0.00 0.00 66.02 66.61 3a17 s SER 277 CO -0.01 -0.94 0.65 -0.72 0.98 0.00 0.00 173.24 173.21 3a17 s TYR 278 N -4.11 -0.47 0.16 5.02 1.13 -0.50 -0.12 117.35 118.46 3a17 s TYR 278 Ca 0.33 0.23 -0.26 0.00 -1.41 0.00 0.00 57.07 55.96 3a17 s TYR 278 Cb 0.05 0.58 -0.08 0.00 -1.10 0.00 0.00 41.96 41.41 3a17 s TYR 278 CO 0.11 -0.87 0.80 1.21 -2.51 0.00 0.00 175.55 174.28 3a17 s ASN 279 N -2.75 7.40 -0.26 -0.18 3.04 -0.28 -0.78 114.94 121.13 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 0.06 0.00 -1.54 0.00 0.00 41.25 37.24 3a17 s ASN 279 CO -0.10 0.17 -0.10 -0.63 -3.04 0.00 0.00 177.10 173.41 3a17 s ILE 280 N -0.98 2.06 -0.16 -5.21 1.01 0.51 -2.47 121.20 115.97 3a17 s ILE 280 Ca 0.37 -1.56 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 3a17 s ILE 280 Cb -0.23 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.08 3a17 s ILE 280 CO 0.27 -0.04 -0.05 -0.83 0.00 0.00 0.00 174.94 174.29 3a17 s GLY 281 N 1.15 0.91 -0.10 6.18 0.00 -0.34 -0.25 107.32 114.88 3a17 s GLY 281 Ca -0.08 -0.77 -0.18 0.00 0.00 0.00 0.00 44.72 43.69 3a17 s GLY 281 CO -0.05 0.96 0.47 0.30 0.00 0.00 0.00 173.10 174.77 3a17 s HIS 282 N 1.66 3.54 0.15 1.90 3.76 0.31 -1.49 115.29 125.13 3a17 s HIS 282 Ca 0.01 0.90 0.11 0.00 -0.15 0.00 0.00 55.06 55.93 3a17 s HIS 282 Cb -0.15 -2.52 -0.04 0.00 1.11 0.00 0.00 32.58 30.98 3a17 s HIS 282 CO -0.08 0.23 -0.25 -1.58 -0.85 0.00 0.00 174.74 172.21 3a17 s TRP 283 N 0.41 2.25 0.41 1.40 0.52 0.10 -0.95 118.94 123.08 3a17 s TRP 283 Ca 0.25 -0.38 0.13 0.00 0.02 0.00 0.00 56.10 56.12 3a17 s TRP 283 Cb -0.15 -1.18 0.87 0.00 -1.15 0.00 0.00 33.47 31.86 3a17 s TRP 283 CO 0.11 0.39 1.93 0.00 0.02 0.00 0.00 176.95 179.39 3a17 h ALA 284 N 3.62 1.57 -2.62 0.98 0.00 -0.77 -2.55 119.26 119.50 3a17 h ALA 284 Ca -0.49 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3a17 h ALA 284 Cb 1.19 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 3a17 h ALA 284 CO 0.43 0.32 0.22 -1.54 0.00 0.00 0.00 179.25 178.68 3a17 s SER 285 N -6.96 -0.59 0.30 0.00 1.04 -1.26 -4.58 113.70 101.65 3a17 s SER 285 Ca -0.04 0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3a17 s SER 285 Cb 0.15 0.57 0.48 0.00 0.10 0.00 0.00 66.02 67.32 3a17 s SER 285 CO 0.71 -0.83 1.86 0.25 0.98 0.00 0.00 173.24 176.22 3a17 h LEU 286 N 2.34 0.69 -0.62 2.42 5.85 -1.84 -2.74 115.31 121.41 3a17 h LEU 286 Ca -0.31 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.35 3a17 h LEU 286 Cb 1.25 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 3a17 h LEU 286 CO 0.38 0.68 0.35 0.44 -0.34 0.00 0.00 178.44 179.95 3a17 h ASP 287 N 0.73 0.53 -0.13 1.25 5.19 -1.95 0.01 116.42 122.05 3a17 h ASP 287 Ca 0.16 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.48 3a17 h ASP 287 Cb 0.26 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.67 3a17 h ASP 287 CO -0.00 0.36 -0.29 1.56 -3.12 0.00 0.00 179.24 177.74 3a17 h GLN 288 N 0.67 0.61 -0.32 3.56 4.20 -1.82 0.24 115.11 122.24 3a17 h GLN 288 Ca 0.27 -0.26 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 3a17 h GLN 288 Cb 0.13 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3a17 h GLN 288 CO -0.16 0.84 0.04 1.25 -0.67 0.00 0.00 178.83 180.13 3a17 h LEU 289 N 0.52 0.52 -0.49 1.46 5.85 -1.31 -1.90 115.31 119.97 3a17 h LEU 289 Ca 0.07 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.57 3a17 h LEU 289 Cb 0.77 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3a17 h LEU 289 CO 0.06 0.66 0.20 -0.33 -0.34 0.00 0.00 178.44 178.69 3a17 h GLU 290 N 0.36 0.38 -0.46 1.25 5.08 -0.57 -2.15 114.58 118.48 3a17 h GLU 290 Ca 0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3a17 h GLU 290 Cb 0.36 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3a17 h GLU 290 CO 0.01 0.25 0.22 0.00 -1.00 0.00 0.00 179.01 178.49 3a17 h ARG 291 N 0.39 0.65 -0.20 2.33 2.47 -0.39 -2.79 114.38 116.84 3a17 h ARG 291 Ca 0.23 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3a17 h ARG 291 Cb 0.20 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.39 3a17 h ARG 291 CO -0.21 0.55 0.13 2.35 0.56 0.00 0.00 179.97 183.35 3a17 h TRP 292 N 0.59 0.26 0.00 3.04 7.01 -1.16 -2.81 115.95 122.89 3a17 h TRP 292 Ca 0.16 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 3a17 h TRP 292 Cb 0.11 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 3a17 h TRP 292 CO -0.01 0.19 -0.38 0.66 -2.79 0.00 0.00 178.44 176.11 3a17 h SER 293 N 0.26 0.00 0.07 2.65 4.64 -1.28 0.37 113.55 120.25 3a17 h SER 293 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3a17 h SER 293 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3a17 h SER 293 CO -0.01 0.38 -0.47 -1.84 -0.87 0.00 0.00 176.83 174.01 3a17 n GLU 294 N -3.50 0.96 0.00 4.77 0.28 -1.06 -4.35 120.64 117.73 3a17 n GLU 294 Ca -0.00 -0.74 0.00 0.00 -0.16 0.00 0.00 57.16 56.26 3a17 n GLU 294 Cb 0.52 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.91 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 -0.38 2.47 -4.72 -1.84 3.41 -1.06 -5.00 113.62 106.50 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 0.42 0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 64.76 3a17 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a17 s HIS 296 N -1.12 3.68 0.50 7.33 2.46 0.10 -4.94 115.29 123.29 3a17 s HIS 296 Ca 0.00 1.67 0.19 0.00 0.47 0.00 0.00 55.06 57.39 3a17 s HIS 296 Cb 0.00 -3.15 1.24 0.00 -0.13 0.00 0.00 32.58 30.54 3a17 s HIS 296 CO 0.00 -0.17 2.04 -1.35 -2.47 0.00 0.00 174.74 172.80 3a17 h PRO 297 N 6.11 0.13 0.66 2.88 0.11 -1.96 -1.05 132.00 138.87 3a17 h PRO 297 Ca -0.42 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.65 3a17 h PRO 297 Cb 1.21 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3a17 h PRO 297 CO 0.74 0.08 -0.32 1.79 -0.21 0.00 0.00 178.00 180.09 3a17 h THR 298 N 0.13 0.11 -0.96 -1.15 1.35 -1.92 -0.55 112.91 109.92 3a17 h THR 298 Ca 0.17 -0.33 0.05 0.00 -0.55 0.00 0.00 66.41 65.75 3a17 h THR 298 Cb 0.52 0.15 -0.06 0.00 -1.73 0.00 0.00 68.15 67.03 3a17 h THR 298 CO -0.02 0.02 0.62 -0.74 -0.25 0.00 0.00 175.52 175.14 3a17 h HIS 299 N -1.18 1.16 -0.50 4.73 -0.00 -1.82 -2.81 115.15 114.73 3a17 h HIS 299 Ca -0.09 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 3a17 h HIS 299 Cb 0.70 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 3a17 h HIS 299 CO 0.00 0.63 0.14 -0.07 -0.00 0.00 0.00 177.93 178.64 3a17 h LEU 300 N 1.17 0.74 -0.24 0.26 3.38 -1.18 -0.77 115.31 118.67 3a17 h LEU 300 Ca 0.40 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.21 3a17 h LEU 300 Cb 0.08 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3a17 h LEU 300 CO -0.15 0.76 -0.25 -0.09 0.09 0.00 0.00 178.44 178.81 3a17 h ARG 301 N 0.68 -0.25 -0.02 1.13 2.43 -0.91 -1.29 114.38 116.16 3a17 h ARG 301 Ca 0.16 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.19 3a17 h ARG 301 Cb 0.30 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3a17 h ARG 301 CO -0.00 -0.17 -0.71 -0.84 -1.51 0.00 0.00 179.97 176.74 3a17 h ILE 302 N -0.26 1.47 -0.45 1.20 3.07 -1.39 -2.43 117.51 118.72 3a17 h ILE 302 Ca 0.14 -2.33 0.05 0.00 1.55 0.00 0.00 64.86 64.27 3a17 h ILE 302 Cb 0.47 2.25 -0.05 0.00 -0.27 0.00 0.00 36.82 39.22 3a17 h ILE 302 CO -0.39 0.67 0.19 0.15 -1.05 0.00 0.00 178.15 177.72 3a17 h PHE 303 N 0.07 0.34 -0.12 0.16 3.04 -0.92 -1.33 116.94 118.19 3a17 h PHE 303 Ca -0.02 0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 3a17 h PHE 303 Cb 1.26 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.67 3a17 h PHE 303 CO 0.01 0.15 -0.40 1.79 -2.02 0.00 0.00 178.31 177.84 3a17 h THR 304 N 0.38 1.31 -0.21 4.41 1.35 -1.07 -1.91 112.91 117.17 3a17 h THR 304 Ca 0.20 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.55 3a17 h THR 304 Cb 0.16 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 3a17 h THR 304 CO -0.18 0.45 0.09 0.74 -0.25 0.00 0.00 175.52 176.37 3a17 h THR 305 N 0.22 1.15 -0.12 6.82 2.02 -1.10 -1.53 112.91 120.38 3a17 h THR 305 Ca 0.02 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3a17 h THR 305 Cb 0.81 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3a17 h THR 305 CO 0.06 0.15 -0.07 0.15 0.37 0.00 0.00 175.52 176.18 3a17 h PHE 306 N 0.19 -0.17 -0.90 3.16 3.04 -1.07 -0.65 116.94 120.54 3a17 h PHE 306 Ca 0.07 0.01 0.21 0.00 3.98 0.00 0.00 57.97 62.24 3a17 h PHE 306 Cb 0.15 0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.69 3a17 h PHE 306 CO -0.02 -0.11 0.60 0.74 -2.02 0.00 0.00 178.31 177.49 3a17 h PHE 307 N -0.07 0.51 0.03 0.41 -1.00 -1.24 0.52 116.94 116.10 3a17 h PHE 307 Ca 0.07 0.02 -0.22 0.00 2.81 0.00 0.00 57.97 60.64 3a17 h PHE 307 Cb 0.18 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 3a17 h PHE 307 CO -0.20 0.13 -0.99 -0.09 -1.61 0.00 0.00 178.31 175.56 3a17 h ARG 308 N 0.38 0.24 0.00 1.51 2.43 -0.35 -3.34 114.38 115.25 3a17 h ARG 308 Ca 0.47 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3a17 h ARG 308 Cb 1.20 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 3a17 h ARG 308 CO -0.17 1.05 -0.92 1.33 -1.51 0.00 0.00 179.97 179.76 3a17 n VAL 309 N -3.62 0.00 -0.30 0.20 0.24 -0.34 -4.66 118.33 109.85 3a17 n VAL 309 Ca -0.05 -0.10 0.16 0.00 -2.04 0.00 0.00 64.34 62.31 3a17 n VAL 309 Cb 0.88 0.94 0.42 0.00 -1.47 0.00 0.00 33.84 34.61 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 2.50 1.97 -0.65 2.33 0.00 -0.13 -2.22 119.26 123.05 3a17 h ALA 310 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3a17 h ALA 310 Cb 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3a17 h ALA 310 CO 0.00 -0.29 0.32 0.00 0.00 0.00 0.00 179.25 179.28 3a17 h ALA 311 N 1.62 1.34 0.00 0.00 0.00 -1.84 -3.21 119.26 117.17 3a17 h ALA 311 Ca 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3a17 h ALA 311 Cb 1.05 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3a17 h ALA 311 CO -0.26 0.52 -0.03 0.41 0.00 0.00 0.00 179.25 179.89 3a17 n GLY 312 N -1.14 4.52 3.71 0.00 0.00 -1.05 -5.00 105.19 106.23 3a17 n GLY 312 Ca 0.06 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 3a17 n GLY 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a17 n LEU 313 N -1.31 3.79 -0.00 0.99 4.77 -0.86 -4.93 117.00 119.45 3a17 n LEU 313 Ca 0.14 1.12 -0.01 0.00 -0.03 0.00 0.00 56.01 57.23 3a17 n LEU 313 Cb 0.63 -1.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.19 3a17 n LEU 313 CO 0.01 -0.05 -0.52 -1.20 -1.33 0.00 0.00 177.39 174.29 3a17 n SER 314 N 2.79 1.00 0.00 -1.43 7.64 -1.26 -4.96 113.62 117.39 3a17 n SER 314 Ca 0.12 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3a17 n SER 314 Cb 0.34 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 3a17 n SER 314 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3a17 n LYS 315 N -2.91 2.24 -1.83 1.43 4.76 -1.26 -5.03 118.16 115.57 3a17 n LYS 315 Ca -0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.01 3a17 n LYS 315 Cb 0.51 -0.83 -0.03 0.00 -1.84 0.00 0.00 35.03 32.85 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 -2.26 4.36 -0.23 -0.35 2.96 -1.26 -4.60 118.68 117.31 3a17 s LEU 316 Ca 0.00 2.80 0.02 0.00 -0.22 0.00 0.00 54.13 56.73 3a17 s LEU 316 Cb 0.00 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.13 3a17 s LEU 316 CO 0.00 -0.89 -0.12 -0.13 -1.32 0.00 0.00 176.35 173.90 3a17 s ARG 317 N 0.55 2.23 0.02 1.98 0.52 -0.01 -4.98 118.95 119.27 3a17 s ARG 317 Ca 0.69 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 3a17 s ARG 317 Cb -0.47 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.32 3a17 s ARG 317 CO 0.37 -0.47 -0.23 -0.51 0.02 0.00 0.00 175.30 174.49 3a17 s LEU 318 N 1.26 2.12 0.26 2.53 1.43 -1.26 -0.09 118.68 124.92 3a17 s LEU 318 Ca -0.04 -0.49 -0.22 0.00 -1.03 0.00 0.00 54.13 52.35 3a17 s LEU 318 Cb -0.18 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 44.96 3a17 s LEU 318 CO -0.07 0.22 0.73 -0.72 0.23 0.00 0.00 176.35 176.74 3a17 s TYR 319 N -0.70 -0.22 0.17 0.29 1.13 -1.13 -2.11 117.35 114.78 3a17 s TYR 319 Ca 0.09 -0.20 -0.15 0.00 -1.41 0.00 0.00 57.07 55.40 3a17 s TYR 319 Cb -0.09 0.69 0.02 0.00 -1.10 0.00 0.00 41.96 41.48 3a17 s TYR 319 CO 0.01 -1.17 0.44 -3.38 -2.51 0.00 0.00 175.55 168.94 3a17 s HIS 320 N -3.85 -0.03 -0.02 -3.49 -3.43 -0.15 -1.10 115.29 103.22 3a17 s HIS 320 Ca 0.10 -0.31 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 3a17 s HIS 320 Cb -0.05 0.26 0.01 0.00 -1.43 0.00 0.00 32.58 31.37 3a17 s HIS 320 CO 0.05 -0.81 -0.05 -1.83 -2.00 0.00 0.00 174.74 170.09 3a17 s GLU 321 N -3.87 0.61 -0.03 -0.38 -1.05 -0.24 -0.94 118.70 112.79 3a17 s GLU 321 Ca 0.09 -0.14 0.02 0.00 -0.15 0.00 0.00 54.97 54.79 3a17 s GLU 321 Cb 0.01 -0.62 0.01 0.00 -0.44 0.00 0.00 34.13 33.08 3a17 s GLU 321 CO -0.05 0.02 -0.09 0.08 0.95 0.00 0.00 175.26 176.17 3a17 s VAL 322 N 0.39 0.80 0.10 1.83 1.01 -0.42 -0.73 120.40 123.38 3a17 s VAL 322 Ca -0.05 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3a17 s VAL 322 Cb -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 3a17 s VAL 322 CO -0.00 0.26 -0.14 -0.44 0.00 0.00 0.00 175.10 174.78 3a17 s SER 323 N 0.34 1.79 0.09 3.32 0.01 0.65 -0.94 113.70 118.96 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 -0.13 -0.19 0.68 0.41 0.00 0.00 173.24 174.02 3a17 s VAL 324 N -1.77 1.58 0.05 3.43 -7.23 -0.04 -1.02 120.40 115.40 3a17 s VAL 324 Ca 0.03 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 58.77 3a17 s VAL 324 Cb -0.07 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 3a17 s VAL 324 CO 0.02 -0.08 -0.11 -0.36 -0.31 0.00 0.00 175.10 174.26 3a17 s PHE 325 N -1.16 0.95 0.55 2.82 0.08 -1.14 -4.57 117.98 115.50 3a17 s PHE 325 Ca 0.05 -0.42 -0.20 0.00 0.12 0.00 0.00 56.93 56.48 3a17 s PHE 325 Cb -0.10 -0.55 -0.05 0.00 -0.57 0.00 0.00 43.02 41.75 3a17 s PHE 325 CO 0.04 -0.01 1.17 -0.51 -0.10 0.00 0.00 175.22 175.81 3a17 s ASP 326 N -1.39 5.56 0.32 1.36 1.01 -1.26 -0.07 116.67 122.20 3a17 s ASP 326 Ca -0.04 2.30 0.08 0.00 0.71 0.00 0.00 52.55 55.60 3a17 s ASP 326 Cb -0.09 -2.59 0.90 0.00 1.01 0.00 0.00 42.92 42.15 3a17 s ASP 326 CO 0.01 -1.34 1.63 0.00 0.21 0.00 0.00 175.17 175.68 3a17 h ALA 327 N 1.19 1.56 0.00 5.23 0.00 -1.83 -0.31 119.26 125.09 3a17 h ALA 327 Ca -0.50 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3a17 h ALA 327 Cb 1.28 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3a17 h ALA 327 CO 0.57 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3a17 n ALA 328 N -2.60 1.74 -1.11 0.00 0.00 -1.26 -2.93 120.51 114.34 3a17 n ALA 328 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 3a17 n ALA 328 Cb 0.85 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.48 4.04 -4.10 0.00 8.00 -0.13 -4.95 116.55 117.93 3a17 n ASP 329 Ca 0.04 -3.26 -0.22 0.00 0.71 0.00 0.00 54.79 52.06 3a17 n ASP 329 Cb 0.18 -0.65 -0.15 0.00 -0.02 0.00 0.00 41.12 40.48 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 -2.99 1.09 -0.08 -1.24 -0.21 -1.15 -0.75 119.66 114.32 3a17 s GLN 330 Ca 0.48 -0.51 -0.03 0.00 0.02 0.00 0.00 55.36 55.33 3a17 s GLN 330 Cb 0.40 -1.05 0.04 0.00 1.00 0.00 0.00 33.01 33.40 3a17 s GLN 330 CO 0.09 0.29 0.11 -1.17 -2.12 0.00 0.00 175.29 172.48 3a17 s LEU 331 N -0.38 0.08 -0.36 2.90 0.20 0.22 -4.66 118.68 116.67 3a17 s LEU 331 Ca 0.05 0.07 0.02 0.00 0.69 0.00 0.00 54.13 54.96 3a17 s LEU 331 Cb -0.05 0.02 0.11 0.00 -0.43 0.00 0.00 46.19 45.83 3a17 s LEU 331 CO -0.00 -0.26 0.10 -0.31 -0.29 0.00 0.00 176.35 175.58 3a17 s TYR 332 N 2.22 2.87 -0.11 5.38 2.02 -1.21 -0.65 117.35 127.87 3a17 s TYR 332 Ca 0.04 -2.55 -0.02 0.00 -0.37 0.00 0.00 57.07 54.17 3a17 s TYR 332 Cb -0.13 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 38.98 3a17 s TYR 332 CO -0.05 -0.89 -0.01 -1.21 -1.57 0.00 0.00 175.55 171.81 3a17 s GLU 333 N 0.98 3.23 -0.06 -0.62 2.02 -0.06 -1.02 118.70 123.16 3a17 s GLU 333 Ca 0.12 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.66 3a17 s GLU 333 Cb -0.20 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.22 3a17 s GLU 333 CO -0.12 0.53 -0.04 0.71 0.02 0.00 0.00 175.26 176.36 3a17 s TYR 334 N -0.42 0.82 -0.21 1.61 1.51 0.48 -1.05 117.35 120.09 3a17 s TYR 334 Ca 0.07 -0.25 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3a17 s TYR 334 Cb -0.12 -0.75 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3a17 s TYR 334 CO 0.02 -0.24 -0.15 0.42 -1.11 0.00 0.00 175.55 174.49 3a17 s ILE 335 N 1.16 1.97 -1.42 2.71 1.01 0.65 0.25 121.20 127.53 3a17 s ILE 335 Ca -0.07 -1.16 -0.10 0.00 0.00 0.00 0.00 60.65 59.32 3a17 s ILE 335 Cb -0.14 -1.94 0.07 0.00 0.01 0.00 0.00 42.46 40.47 3a17 s ILE 335 CO -0.01 0.28 0.65 0.59 0.00 0.00 0.00 174.94 176.45 3a17 n ASN 336 N 4.58 -4.34 -4.88 3.58 3.02 0.74 -0.29 115.26 117.68 3a17 n ASN 336 Ca -0.17 -0.51 -0.34 0.00 -0.03 0.00 0.00 54.58 53.52 3a17 n ASN 336 Cb 0.47 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 3a17 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a17 s HIS 338 N -1.38 2.13 -0.88 0.00 -3.43 -1.26 -4.86 115.29 105.62 3a17 s HIS 338 Ca 0.31 1.54 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 3a17 s HIS 338 Cb -0.13 -3.56 0.00 0.00 -1.43 0.00 0.00 32.58 27.46 3a17 s HIS 338 CO 0.18 -2.65 0.91 -2.30 -2.00 0.00 0.00 174.74 168.88 3a17 n PRO 339 N -2.18 0.00 -0.54 -0.38 -0.02 -1.26 -1.68 135.00 128.94 3a17 n PRO 339 Ca 0.14 0.41 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 3a17 n PRO 339 Cb 0.49 -1.57 0.32 0.00 -0.02 0.00 0.00 33.50 32.72 3a17 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a17 n GLY 340 N -1.41 2.89 3.68 -1.23 0.00 -1.26 -2.86 105.19 105.00 3a17 n GLY 340 Ca 0.00 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 3a17 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a17 s THR 341 N -1.83 5.04 0.00 2.61 2.01 -0.68 -4.63 115.64 118.17 3a17 s THR 341 Ca 0.47 1.21 0.00 0.00 0.31 0.00 0.00 61.69 63.68 3a17 s THR 341 Cb 0.30 -3.95 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3a17 s THR 341 CO 0.22 0.16 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3a17 n GLY 342 N 3.60 4.14 0.04 4.40 0.00 -1.26 -1.56 105.19 114.55 3a17 n GLY 342 Ca -0.02 0.10 0.13 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 0.23 -0.10 1.61 2.81 -1.26 -3.90 117.12 130.51 3a17 n MET 343 Ca 0.00 -0.08 -0.02 0.00 -1.81 0.00 0.00 57.70 55.79 3a17 n MET 343 Cb 0.00 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 31.23 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 0.20 0.70 -0.78 4.03 3.38 -1.56 -2.21 115.31 119.07 3a17 h LEU 344 Ca 0.00 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3a17 h LEU 344 Cb 0.45 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3a17 h LEU 344 CO 0.00 0.71 0.49 -0.09 0.09 0.00 0.00 178.44 179.64 3a17 h ARG 345 N 0.73 0.91 -0.00 1.13 2.43 -1.64 -3.22 114.38 114.71 3a17 h ARG 345 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3a17 h ARG 345 Cb 0.31 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3a17 h ARG 345 CO 0.00 0.60 -0.21 -0.25 -1.51 0.00 0.00 179.97 178.60 3a17 n ASP 346 N -4.63 0.91 -4.77 -3.80 9.92 -1.22 -4.99 116.55 107.97 3a17 n ASP 346 Ca 0.09 -0.96 -0.41 0.00 -0.53 0.00 0.00 54.79 52.99 3a17 n ASP 346 Cb 0.11 0.59 -0.01 0.00 -0.64 0.00 0.00 41.12 41.17 3a17 n ASP 346 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a17 s ALA 347 N -1.31 3.59 0.06 2.24 0.00 -0.83 -4.83 121.76 120.67 3a17 s ALA 347 Ca 0.06 1.47 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 3a17 s ALA 347 Cb 0.06 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3a17 s ALA 347 CO 0.23 -0.91 0.96 0.54 0.00 0.00 0.00 175.76 176.57 3a17 s VAL 348 N -0.83 4.68 -0.02 0.00 0.11 0.79 -4.80 120.40 120.33 3a17 s VAL 348 Ca 0.54 2.04 0.01 0.00 -2.93 0.00 0.00 61.98 61.64 3a17 s VAL 348 Cb -0.45 -4.31 -0.02 0.00 -1.53 0.00 0.00 36.38 30.07 3a17 s VAL 348 CO 0.56 0.25 -0.00 0.35 -3.33 0.00 0.00 175.10 172.93 3a17 n THR 349 N 3.28 0.13 0.00 5.04 -2.24 -1.26 -1.47 114.28 117.75 3a17 n THR 349 Ca 0.04 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3a17 n THR 349 Cb 0.50 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3a17 n THR 349 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12