#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a18 s GLU 2 N 0.00 3.71 0.05 0.03 2.02 -1.23 -4.86 118.70 118.41 3a18 s GLU 2 Ca 0.00 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 56.47 3a18 s GLU 2 Cb 0.00 -2.24 -0.06 0.00 0.10 0.00 0.00 34.13 31.93 3a18 s GLU 2 CO 0.00 -0.55 0.39 0.45 0.02 0.00 0.00 175.26 175.57 3a18 s SER 3 N -1.65 6.68 0.54 -0.19 0.15 -1.26 -1.57 113.70 116.40 3a18 s SER 3 Ca 0.66 0.83 0.23 0.00 0.70 0.00 0.00 55.95 58.37 3a18 s SER 3 Cb -0.23 -2.19 1.49 0.00 -1.71 0.00 0.00 66.02 63.37 3a18 s SER 3 CO 0.28 0.23 2.17 0.00 1.20 0.00 0.00 173.24 177.12 3a18 h ALA 4 N 4.08 1.70 -2.18 5.45 0.00 -1.93 -3.41 119.26 122.97 3a18 h ALA 4 Ca -0.50 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.80 3a18 h ALA 4 Cb 1.20 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3a18 h ALA 4 CO 0.64 0.04 0.65 0.42 0.00 0.00 0.00 179.25 181.01 3a18 s ILE 5 N -4.76 4.75 0.39 0.00 1.01 -1.26 -4.97 121.20 116.35 3a18 s ILE 5 Ca -0.05 1.88 -0.27 0.00 0.00 0.00 0.00 60.65 62.22 3a18 s ILE 5 Cb 0.16 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 3a18 s ILE 5 CO 0.61 -0.11 1.31 0.61 0.00 0.00 0.00 174.94 177.36 3a18 n GLY 6 N 3.41 0.65 0.25 6.18 0.00 -1.26 -4.79 105.19 109.64 3a18 n GLY 6 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3a18 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a18 h GLU 7 N 2.37 0.00 0.00 1.61 4.81 -1.92 0.17 114.58 121.61 3a18 h GLU 7 Ca -0.48 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3a18 h GLU 7 Cb 1.28 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 3a18 h GLU 7 CO 0.61 0.00 0.00 1.12 -0.73 0.00 0.00 179.01 180.02 3a18 h HIS 8 N 0.00 0.00 -0.01 0.92 2.07 -1.93 -2.16 115.15 114.03 3a18 h HIS 8 Ca 0.32 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 3a18 h HIS 8 Cb 0.49 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.47 3a18 h HIS 8 CO -0.54 0.00 -0.48 1.28 -3.07 0.00 0.00 177.93 175.13 3a18 n LEU 9 N -2.83 1.75 -4.72 6.12 4.77 0.55 -4.92 117.00 117.72 3a18 n LEU 9 Ca -0.01 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 3a18 n LEU 9 Cb 0.16 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3a18 n LEU 9 CO 0.21 0.33 0.92 -1.10 -1.33 0.00 0.00 177.39 176.42 3a18 s GLN 10 N -2.53 4.43 0.14 3.23 -0.21 -0.82 -4.94 119.66 118.97 3a18 s GLN 10 Ca 0.19 1.87 -0.02 0.00 0.02 0.00 0.00 55.36 57.41 3a18 s GLN 10 Cb 0.18 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 3a18 s GLN 10 CO 0.59 -0.24 0.10 0.00 -2.12 0.00 0.00 175.29 173.62 3a18 n PRO 12 N -0.13 1.81 -3.40 0.00 -0.02 -1.26 -4.95 135.00 127.05 3a18 n PRO 12 Ca -0.05 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3a18 n PRO 12 Cb 0.64 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 3a18 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a18 s ARG 13 N 0.81 3.90 -0.03 -0.52 0.52 -1.26 -4.91 118.95 117.46 3a18 s ARG 13 Ca 0.81 0.39 0.03 0.00 -0.52 0.00 0.00 55.73 56.44 3a18 s ARG 13 Cb -0.77 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 31.80 3a18 s ARG 13 CO 0.41 0.44 0.03 0.25 0.02 0.00 0.00 175.30 176.45 3a18 n THR 14 N 0.53 0.19 -4.30 0.02 -2.24 -0.27 -5.01 114.28 103.19 3a18 n THR 14 Ca -0.04 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 3a18 n THR 14 Cb 0.52 -0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 3a18 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a18 s LEU 15 N -4.02 3.69 0.37 3.22 1.43 -0.80 -5.00 118.68 117.57 3a18 s LEU 15 Ca -0.02 0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 3a18 s LEU 15 Cb 0.01 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3a18 s LEU 15 CO 0.15 0.37 0.22 0.42 0.23 0.00 0.00 176.35 177.74 3a18 s THR 16 N -0.93 2.87 0.88 5.49 -4.23 -1.26 -4.61 115.64 113.85 3a18 s THR 16 Ca 0.14 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 3a18 s THR 16 Cb -0.11 -3.01 0.12 0.00 1.34 0.00 0.00 72.50 70.83 3a18 s THR 16 CO 0.04 -0.11 1.15 -0.13 -0.54 0.00 0.00 174.62 175.03 3a18 s ARG 17 N -3.93 1.36 0.00 3.99 0.52 -1.26 -5.00 118.95 114.63 3a18 s ARG 17 Ca 0.41 0.23 0.22 0.00 -0.52 0.00 0.00 55.73 56.06 3a18 s ARG 17 Cb -0.02 -1.87 0.38 0.00 0.52 0.00 0.00 34.95 33.96 3a18 s ARG 17 CO 0.24 -2.04 1.35 2.89 0.02 0.00 0.00 175.30 177.76 3a18 n ARG 18 N -3.64 2.40 -4.74 3.54 1.85 -1.26 -4.93 116.66 109.87 3a18 n ARG 18 Ca 0.07 -2.19 -0.27 0.00 -1.00 0.00 0.00 57.85 54.46 3a18 n ARG 18 Cb 0.60 -1.48 -0.14 0.00 -1.05 0.00 0.00 32.46 30.39 3a18 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a18 s VAL 19 N -1.45 1.78 0.99 8.89 -7.23 -1.26 -5.14 120.40 116.98 3a18 s VAL 19 Ca 0.36 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 3a18 s VAL 19 Cb 0.21 -1.53 0.18 0.00 0.56 0.00 0.00 36.38 35.80 3a18 s VAL 19 CO 0.30 0.27 1.08 -2.16 -0.31 0.00 0.00 175.10 174.28 3a18 s PRO 20 N -1.13 0.48 0.59 4.82 0.04 -1.26 -4.92 135.00 133.63 3a18 s PRO 20 Ca 0.09 0.70 0.35 0.00 0.04 0.00 0.00 61.00 62.18 3a18 s PRO 20 Cb -0.09 -1.73 1.87 0.00 0.04 0.00 0.00 34.50 34.59 3a18 s PRO 20 CO 0.02 -2.75 2.20 -0.44 0.04 0.00 0.00 177.00 176.07 3a18 h ASP 21 N -1.91 0.00 0.43 6.66 3.32 -2.01 -2.40 116.42 120.51 3a18 h ASP 21 Ca -0.54 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3a18 h ASP 21 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3a18 h ASP 21 CO 0.55 0.04 0.00 0.35 -1.72 0.00 0.00 179.24 178.45 3a18 n THR 22 N -3.38 0.14 -1.71 0.35 -2.24 -1.26 -4.91 114.28 101.28 3a18 n THR 22 Ca -0.02 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3a18 n THR 22 Cb 0.16 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.76 3a18 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a18 n TYR 23 N -1.25 2.59 -3.99 4.78 9.36 -0.91 -5.01 117.16 122.73 3a18 n TYR 23 Ca 0.13 0.17 -0.25 0.00 3.32 0.00 0.00 57.90 61.28 3a18 n TYR 23 Cb 0.19 -2.61 -0.17 0.00 -0.63 0.00 0.00 39.34 36.13 3a18 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a18 s THR 24 N 0.80 0.86 0.62 2.97 2.01 -1.26 -5.02 115.64 116.61 3a18 s THR 24 Ca 0.74 -0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.34 3a18 s THR 24 Cb -0.56 -0.89 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 3a18 s THR 24 CO 0.38 0.33 1.25 -2.16 -0.69 0.00 0.00 174.62 173.73 3a18 s PRO 25 N 1.56 2.77 0.00 4.92 0.04 -1.26 -4.94 135.00 138.08 3a18 s PRO 25 Ca 0.01 1.95 0.30 0.00 0.04 0.00 0.00 61.00 63.30 3a18 s PRO 25 Cb -0.13 -1.89 1.37 0.00 0.04 0.00 0.00 34.50 33.89 3a18 s PRO 25 CO -0.05 -1.40 1.99 -0.35 0.04 0.00 0.00 177.00 177.22 3a18 n PRO 26 N -1.74 0.22 -3.58 0.56 -0.04 -1.26 -4.86 135.00 124.31 3a18 n PRO 26 Ca 0.15 -0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3a18 n PRO 26 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3a18 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a18 s PHE 27 N -2.78 -0.34 0.19 0.54 -0.12 -1.26 -5.08 117.98 109.12 3a18 s PHE 27 Ca 0.21 0.21 -0.30 0.00 -0.05 0.00 0.00 56.93 57.01 3a18 s PHE 27 Cb 0.20 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.84 3a18 s PHE 27 CO 0.50 -0.69 1.02 -2.14 -0.05 0.00 0.00 175.22 173.86 3a18 s PRO 28 N -3.12 4.70 0.06 1.99 0.02 -1.26 -5.01 135.00 132.37 3a18 s PRO 28 Ca -0.01 1.59 -0.00 0.00 0.02 0.00 0.00 61.00 62.60 3a18 s PRO 28 Cb 0.00 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 3a18 s PRO 28 CO -0.07 0.25 -0.04 -1.64 -0.33 0.00 0.00 177.00 175.17 3a18 s MET 29 N -0.62 0.65 0.20 5.54 -1.94 -1.26 -4.91 119.30 116.97 3a18 s MET 29 Ca 0.46 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.26 3a18 s MET 29 Cb -0.27 0.09 -0.05 0.00 2.01 0.00 0.00 34.83 36.61 3a18 s MET 29 CO 0.33 -0.08 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.64 3a18 s TRP 30 N -3.72 1.46 0.13 -0.03 0.51 -0.39 -1.68 118.94 115.21 3a18 s TRP 30 Ca 0.07 -0.85 0.03 0.00 -2.12 0.00 0.00 56.10 53.23 3a18 s TRP 30 Cb 0.06 -0.81 -0.04 0.00 -0.81 0.00 0.00 33.47 31.87 3a18 s TRP 30 CO -0.08 0.02 -0.07 0.14 -0.51 0.00 0.00 176.95 176.44 3a18 s VAL 31 N -3.37 0.89 0.27 4.03 -7.23 -1.26 -0.60 120.40 113.12 3a18 s VAL 31 Ca 0.24 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 3a18 s VAL 31 Cb 0.04 -1.80 -0.10 0.00 0.56 0.00 0.00 36.38 35.09 3a18 s VAL 31 CO 0.06 -0.78 1.23 -0.83 -0.31 0.00 0.00 175.10 174.47 3a18 s GLY 32 N -3.11 2.87 -0.02 2.32 0.00 -1.26 -1.34 107.32 106.77 3a18 s GLY 32 Ca 0.15 1.08 0.02 0.00 0.00 0.00 0.00 44.72 45.97 3a18 s GLY 32 CO -0.02 1.81 -0.05 0.50 0.00 0.00 0.00 173.10 175.34 3a18 s ARG 33 N -1.16 2.67 -0.05 2.90 1.81 0.76 -4.83 118.95 121.04 3a18 s ARG 33 Ca 0.50 -0.64 -0.19 0.00 -1.72 0.00 0.00 55.73 53.68 3a18 s ARG 33 Cb -0.36 -2.57 0.04 0.00 -0.45 0.00 0.00 34.95 31.61 3a18 s ARG 33 CO 0.44 0.63 0.42 0.00 -0.68 0.00 0.00 175.30 176.11 3a18 s ALA 34 N -0.95 -1.06 0.94 2.13 0.00 -1.26 0.30 121.76 121.85 3a18 s ALA 34 Ca 0.16 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3a18 s ALA 34 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3a18 s ALA 34 CO 0.06 -0.27 0.00 -0.40 0.00 0.00 0.00 175.76 175.14 3a18 n ASP 35 N 1.49 0.00 0.00 0.00 5.68 -1.26 -4.92 116.55 117.54 3a18 n ASP 35 Ca -0.19 -0.97 0.07 0.00 -0.50 0.00 0.00 54.79 53.19 3a18 n ASP 35 Cb 0.56 0.00 0.33 0.00 -1.14 0.00 0.00 41.12 40.87 3a18 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a18 n ASP 36 N -2.92 0.00 0.24 -1.12 5.75 -1.26 -2.43 116.55 114.82 3a18 n ASP 36 Ca 0.00 0.39 0.11 0.00 -0.01 0.00 0.00 54.79 55.27 3a18 n ASP 36 Cb 0.00 -0.44 0.61 0.00 -1.03 0.00 0.00 41.12 40.26 3a18 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a18 h ALA 37 N 2.56 1.20 -2.14 2.12 0.00 -2.01 -3.36 119.26 117.63 3a18 h ALA 37 Ca 0.00 -0.16 -0.72 0.00 0.00 0.00 0.00 54.91 54.03 3a18 h ALA 37 Cb 0.22 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.78 3a18 h ALA 37 CO 0.00 0.22 0.40 -1.17 0.00 0.00 0.00 179.25 178.70 3a18 s LEU 38 N -7.19 5.57 -0.14 0.00 2.96 -1.02 -4.84 118.68 114.02 3a18 s LEU 38 Ca -0.02 -1.97 -0.06 0.00 -0.22 0.00 0.00 54.13 51.86 3a18 s LEU 38 Cb 0.12 -2.32 -0.24 0.00 0.50 0.00 0.00 46.19 44.25 3a18 s LEU 38 CO 0.61 -0.97 0.27 0.00 -1.32 0.00 0.00 176.35 174.94 3a18 n GLN 39 N 5.88 0.74 -3.66 1.98 6.02 -1.26 -4.58 117.38 122.49 3a18 n GLN 39 Ca 0.09 0.26 -0.08 0.00 -0.01 0.00 0.00 57.00 57.27 3a18 n GLN 39 Cb 0.46 -1.68 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 3a18 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a18 s GLN 40 N -2.54 0.59 0.29 -1.09 0.74 -1.26 0.18 119.66 116.56 3a18 s GLN 40 Ca -0.25 1.09 0.07 0.00 0.05 0.00 0.00 55.36 56.33 3a18 s GLN 40 Cb 0.07 0.12 -0.03 0.00 1.10 0.00 0.00 33.01 34.27 3a18 s GLN 40 CO 0.74 -0.16 0.24 0.14 -0.55 0.00 0.00 175.29 175.70 3a18 s VAL 41 N 1.64 4.03 -0.12 1.34 -7.23 -0.44 -3.59 120.40 116.03 3a18 s VAL 41 Ca -0.09 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3a18 s VAL 41 Cb -0.07 -3.30 -0.00 0.00 0.56 0.00 0.00 36.38 33.57 3a18 s VAL 41 CO -0.17 -0.27 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.46 3a18 s VAL 42 N -2.21 2.39 -0.31 1.32 1.01 -0.79 -3.08 120.40 118.72 3a18 s VAL 42 Ca 0.36 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3a18 s VAL 42 Cb -0.07 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.38 3a18 s VAL 42 CO 0.26 0.54 0.08 -0.04 0.00 0.00 0.00 175.10 175.94 3a18 s MET 43 N 0.50 2.82 -0.29 2.72 -1.94 0.40 -1.56 119.30 121.95 3a18 s MET 43 Ca -0.13 -1.04 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 3a18 s MET 43 Cb -0.17 -3.38 0.04 0.00 2.01 0.00 0.00 34.83 33.33 3a18 s MET 43 CO 0.05 -0.56 -0.01 0.20 -0.01 0.00 0.00 175.02 174.69 3a18 s GLY 44 N 1.43 1.73 -0.37 -0.03 0.00 0.15 -1.63 107.32 108.61 3a18 s GLY 44 Ca 0.00 -1.68 -0.14 0.00 0.00 0.00 0.00 44.72 42.90 3a18 s GLY 44 CO 0.02 0.65 0.29 -0.19 0.00 0.00 0.00 173.10 173.87 3a18 s TYR 45 N 1.28 3.23 -0.25 1.90 1.51 -0.51 -0.29 117.35 124.21 3a18 s TYR 45 Ca -0.04 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 3a18 s TYR 45 Cb -0.19 -2.57 0.02 0.00 -0.11 0.00 0.00 41.96 39.12 3a18 s TYR 45 CO -0.02 -0.46 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.40 3a18 s LEU 46 N 1.78 3.24 0.16 -1.29 1.02 0.52 -0.98 118.68 123.12 3a18 s LEU 46 Ca 0.07 -0.85 0.08 0.00 0.02 0.00 0.00 54.13 53.45 3a18 s LEU 46 Cb -0.18 -1.68 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 3a18 s LEU 46 CO 0.11 -0.13 -0.08 -0.83 0.02 0.00 0.00 176.35 175.44 3a18 s GLY 47 N 1.34 1.75 -0.08 -3.19 0.00 0.02 -0.60 107.32 106.56 3a18 s GLY 47 Ca 0.00 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.37 3a18 s GLY 47 CO -0.04 -1.39 -0.15 0.14 0.00 0.00 0.00 173.10 171.66 3a18 s VAL 48 N -1.56 1.38 -0.03 1.40 1.01 0.94 -1.72 120.40 121.81 3a18 s VAL 48 Ca 0.24 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3a18 s VAL 48 Cb -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3a18 s VAL 48 CO 0.15 0.41 -0.20 -1.58 0.00 0.00 0.00 175.10 173.88 3a18 s GLN 49 N 0.61 1.83 0.19 2.72 0.74 0.86 -0.54 119.66 126.06 3a18 s GLN 49 Ca -0.15 -0.72 -0.20 0.00 0.05 0.00 0.00 55.36 54.33 3a18 s GLN 49 Cb -0.16 -1.68 0.05 0.00 1.10 0.00 0.00 33.01 32.32 3a18 s GLN 49 CO 0.05 0.38 0.58 -0.59 -0.55 0.00 0.00 175.29 175.15 3a18 s PHE 50 N -0.28 -0.33 0.00 1.67 -0.71 -0.51 0.04 117.98 117.86 3a18 s PHE 50 Ca 0.03 0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.95 3a18 s PHE 50 Cb -0.10 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.22 3a18 s PHE 50 CO 0.01 -0.91 0.00 -2.13 -1.34 0.00 0.00 175.22 170.84 3a18 n ARG 51 N -0.37 0.66 -2.74 1.99 0.63 -1.26 0.59 116.66 116.17 3a18 n ARG 51 Ca -0.13 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.40 3a18 n ARG 51 Cb 0.63 -0.77 -0.05 0.00 0.45 0.00 0.00 32.46 32.72 3a18 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a18 s ASP 52 N -3.10 7.60 0.29 6.15 1.01 -1.26 -4.88 116.67 122.48 3a18 s ASP 52 Ca 0.00 1.90 0.01 0.00 0.71 0.00 0.00 52.55 55.17 3a18 s ASP 52 Cb 0.00 -2.60 0.55 0.00 1.01 0.00 0.00 42.92 41.88 3a18 s ASP 52 CO 0.00 0.08 1.87 -0.08 0.21 0.00 0.00 175.17 177.25 3a18 h GLU 53 N 4.64 0.98 0.00 8.23 4.57 -2.02 -1.77 114.58 129.21 3a18 h GLU 53 Ca -0.44 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3a18 h GLU 53 Cb 1.20 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 3a18 h GLU 53 CO 0.69 0.65 0.00 0.38 -1.18 0.00 0.00 179.01 179.55 3a18 h ASP 54 N 1.01 0.00 1.35 1.04 3.04 -2.04 -1.17 116.42 119.64 3a18 h ASP 54 Ca 0.45 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.24 3a18 h ASP 54 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.65 3a18 h ASP 54 CO -0.20 0.00 -0.06 0.00 -2.04 0.00 0.00 179.24 176.94 3a18 n GLN 55 N -3.02 0.23 -0.11 4.15 6.02 -0.67 -4.32 117.38 119.66 3a18 n GLN 55 Ca -0.02 0.17 -0.06 0.00 -0.01 0.00 0.00 57.00 57.08 3a18 n GLN 55 Cb 0.12 -1.75 0.02 0.00 1.02 0.00 0.00 30.24 29.65 3a18 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a18 h ARG 56 N 0.00 0.28 -0.53 -1.09 2.43 -1.30 0.73 114.38 114.89 3a18 h ARG 56 Ca 0.00 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3a18 h ARG 56 Cb 0.70 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 3a18 h ARG 56 CO 0.00 0.18 0.22 -1.35 -1.51 0.00 0.00 179.97 177.51 3a18 h PRO 57 N 0.28 0.41 -0.42 0.20 0.11 -1.80 0.30 132.00 131.10 3a18 h PRO 57 Ca 0.17 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.14 3a18 h PRO 57 Cb 0.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 3a18 h PRO 57 CO -0.18 0.27 -0.22 0.00 -0.21 0.00 0.00 178.00 177.66 3a18 h ALA 58 N 1.33 0.82 -0.48 -0.75 0.00 -1.73 -1.75 119.26 116.69 3a18 h ALA 58 Ca 0.25 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3a18 h ALA 58 Cb 0.23 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3a18 h ALA 58 CO -0.22 0.65 0.14 0.00 0.00 0.00 0.00 179.25 179.82 3a18 h ALA 59 N 1.01 0.63 -0.35 0.00 0.00 -0.42 -1.15 119.26 118.99 3a18 h ALA 59 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3a18 h ALA 59 Cb 0.75 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3a18 h ALA 59 CO 0.06 0.30 -0.26 -0.07 0.00 0.00 0.00 179.25 179.28 3a18 h LEU 60 N 0.65 0.72 -0.36 0.00 3.38 -0.85 -1.77 115.31 117.09 3a18 h LEU 60 Ca 0.15 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3a18 h LEU 60 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3a18 h LEU 60 CO -0.00 0.95 0.20 -0.61 0.09 0.00 0.00 178.44 179.07 3a18 h GLN 61 N 0.61 0.49 -0.47 1.13 5.75 -1.18 -1.17 115.11 120.27 3a18 h GLN 61 Ca 0.08 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.58 3a18 h GLN 61 Cb 0.76 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 29.16 3a18 h GLN 61 CO 0.06 0.40 0.19 0.00 -2.65 0.00 0.00 178.83 176.84 3a18 h ALA 62 N 1.06 0.58 -0.69 3.38 0.00 -0.96 0.20 119.26 122.83 3a18 h ALA 62 Ca 0.13 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3a18 h ALA 62 Cb 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3a18 h ALA 62 CO -0.02 -0.19 0.45 1.98 0.00 0.00 0.00 179.25 181.47 3a18 h MET 63 N 0.38 0.88 -0.81 0.00 1.85 -1.15 -1.06 114.93 115.02 3a18 h MET 63 Ca 0.22 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.24 3a18 h MET 63 Cb 0.20 -0.20 -0.04 0.00 0.43 0.00 0.00 31.60 31.99 3a18 h MET 63 CO -0.21 0.58 0.42 0.00 -0.40 0.00 0.00 176.91 177.30 3a18 h ARG 64 N 0.90 1.15 -0.73 0.39 3.08 -0.42 -1.31 114.38 117.44 3a18 h ARG 64 Ca 0.26 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.13 3a18 h ARG 64 Cb -0.06 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.74 3a18 h ARG 64 CO -0.07 0.87 0.33 -0.44 -1.07 0.00 0.00 179.97 179.58 3a18 h ASP 65 N 1.14 0.97 -0.26 7.04 3.32 -0.13 -0.92 116.42 127.57 3a18 h ASP 65 Ca 0.28 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3a18 h ASP 65 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3a18 h ASP 65 CO -0.04 0.85 0.11 0.40 -1.72 0.00 0.00 179.24 178.84 3a18 h ILE 66 N 1.03 1.17 -0.65 0.35 2.04 -0.89 -2.38 117.51 118.18 3a18 h ILE 66 Ca 0.25 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 3a18 h ILE 66 Cb 0.15 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3a18 h ILE 66 CO -0.03 0.17 0.26 0.58 0.00 0.00 0.00 178.15 179.13 3a18 h VAL 67 N 0.28 1.23 -0.77 1.67 2.07 -1.08 -2.16 116.25 117.48 3a18 h VAL 67 Ca 0.09 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3a18 h VAL 67 Cb 0.17 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3a18 h VAL 67 CO -0.01 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.29 3a18 h ALA 68 N 1.35 1.28 0.00 1.67 0.00 -1.01 -2.01 119.26 120.54 3a18 h ALA 68 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3a18 h ALA 68 Cb 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3a18 h ALA 68 CO -0.02 0.58 0.00 0.78 0.00 0.00 0.00 179.25 180.59 3a18 h GLY 69 N 1.12 0.00 2.00 0.00 0.00 -0.86 -2.12 103.07 103.21 3a18 h GLY 69 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3a18 h GLY 69 CO -0.04 0.00 -0.06 0.74 0.00 0.00 0.00 176.54 177.18 3a18 h PHE 70 N 0.00 0.00 -0.02 5.60 -1.00 -1.05 -3.09 116.94 117.37 3a18 h PHE 70 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3a18 h PHE 70 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 3a18 h PHE 70 CO 0.00 0.06 0.00 -0.25 -1.61 0.00 0.00 178.31 176.51 3a18 n ASP 71 N -3.16 0.84 -4.91 2.17 9.92 -0.79 -4.07 116.55 116.55 3a18 n ASP 71 Ca 0.01 -1.33 -0.28 0.00 -0.53 0.00 0.00 54.79 52.67 3a18 n ASP 71 Cb 0.38 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.90 3a18 n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3a18 s LEU 72 N -1.93 2.98 0.29 0.64 1.43 -1.17 -4.96 118.68 115.97 3a18 s LEU 72 Ca 0.40 0.77 -0.28 0.00 -1.03 0.00 0.00 54.13 53.99 3a18 s LEU 72 Cb 0.20 -3.51 -0.14 0.00 0.03 0.00 0.00 46.19 42.77 3a18 s LEU 72 CO 0.33 -1.34 1.07 -2.65 0.23 0.00 0.00 176.35 173.98 3a18 n PRO 73 N -2.85 1.48 -1.16 1.29 -0.02 -1.26 -1.68 135.00 130.80 3a18 n PRO 73 Ca 0.06 0.52 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 3a18 n PRO 73 Cb 0.58 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 3a18 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a18 n ASP 74 N 1.20 -4.79 -4.37 2.55 8.00 -1.26 -4.72 116.55 113.16 3a18 n ASP 74 Ca 0.09 0.14 -0.29 0.00 0.71 0.00 0.00 54.79 55.44 3a18 n ASP 74 Cb 0.32 -2.78 0.24 0.00 -0.02 0.00 0.00 41.12 38.88 3a18 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a18 s GLY 75 N -2.36 1.53 0.56 0.44 0.00 -0.68 -4.46 107.32 102.37 3a18 s GLY 75 Ca 0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 44.72 44.16 3a18 s GLY 75 CO 0.00 0.37 1.14 2.56 0.00 0.00 0.00 173.10 177.17 3a18 s PRO 76 N -4.76 3.24 0.42 2.90 0.04 -1.26 -4.93 135.00 130.65 3a18 s PRO 76 Ca 0.68 1.61 0.17 0.00 0.04 0.00 0.00 61.00 63.50 3a18 s PRO 76 Cb -0.21 -1.99 0.93 0.00 0.04 0.00 0.00 34.50 33.28 3a18 s PRO 76 CO 0.61 -0.94 1.91 0.00 0.04 0.00 0.00 177.00 178.62 3a18 h ALA 77 N 1.02 1.39 -2.46 8.56 0.00 -1.31 -3.46 119.26 123.01 3a18 h ALA 77 Ca -0.50 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.05 3a18 h ALA 77 Cb 1.26 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.81 3a18 h ALA 77 CO 0.56 0.35 -0.23 -1.58 0.00 0.00 0.00 179.25 178.35 3a18 s HIS 78 N -4.23 -0.23 0.09 0.00 5.65 -1.17 -5.00 115.29 110.40 3a18 s HIS 78 Ca -0.03 0.34 -0.17 0.00 0.25 0.00 0.00 55.06 55.45 3a18 s HIS 78 Cb 0.14 0.13 0.04 0.00 -1.18 0.00 0.00 32.58 31.71 3a18 s HIS 78 CO 0.69 -0.42 0.42 -3.38 -0.65 0.00 0.00 174.74 171.40 3a18 s HIS 79 N -1.34 -0.25 0.10 3.88 -0.00 -1.26 -1.14 115.29 115.28 3a18 s HIS 79 Ca -0.13 0.06 -0.08 0.00 -0.00 0.00 0.00 55.06 54.91 3a18 s HIS 79 Cb -0.05 0.26 -0.01 0.00 -0.00 0.00 0.00 32.58 32.78 3a18 s HIS 79 CO 0.05 -0.65 0.19 0.16 -0.00 0.00 0.00 174.74 174.48 3a18 s ASP 80 N -2.46 0.13 -0.05 7.38 1.47 -0.94 -5.00 116.67 117.21 3a18 s ASP 80 Ca -0.01 -0.72 0.06 0.00 1.18 0.00 0.00 52.55 53.06 3a18 s ASP 80 Cb 0.01 0.35 -0.01 0.00 -0.34 0.00 0.00 42.92 42.92 3a18 s ASP 80 CO -0.08 -0.75 -0.24 -0.76 0.68 0.00 0.00 175.17 174.02 3a18 s LEU 81 N -2.89 2.12 0.10 2.11 1.43 -1.26 -1.56 118.68 118.73 3a18 s LEU 81 Ca 0.08 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 3a18 s LEU 81 Cb 0.05 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 3a18 s LEU 81 CO -0.09 0.27 -0.04 0.42 0.23 0.00 0.00 176.35 177.14 3a18 s THR 82 N -0.34 0.56 0.00 5.49 -4.23 0.37 -0.72 115.64 116.79 3a18 s THR 82 Ca 0.02 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 3a18 s THR 82 Cb -0.12 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 71.97 3a18 s THR 82 CO 0.02 -0.82 -0.14 -2.28 -0.54 0.00 0.00 174.62 170.86 3a18 s HIS 83 N -3.71 1.24 0.02 3.99 5.04 0.98 -1.03 115.29 121.82 3a18 s HIS 83 Ca 0.13 -0.27 -0.22 0.00 -1.54 0.00 0.00 55.06 53.16 3a18 s HIS 83 Cb 0.06 -0.78 0.05 0.00 0.04 0.00 0.00 32.58 31.95 3a18 s HIS 83 CO -0.04 -0.00 0.51 -3.38 -2.34 0.00 0.00 174.74 169.48 3a18 s HIS 84 N -0.48 -0.41 -0.23 3.88 -3.43 -0.76 -1.26 115.29 112.60 3a18 s HIS 84 Ca 0.04 0.52 -0.09 0.00 -0.80 0.00 0.00 55.06 54.73 3a18 s HIS 84 Cb -0.06 0.31 -0.04 0.00 -1.43 0.00 0.00 32.58 31.35 3a18 s HIS 84 CO 0.00 -0.60 0.11 0.42 -2.00 0.00 0.00 174.74 172.67 3a18 s ILE 85 N -2.12 4.93 0.94 -5.38 1.01 -1.26 0.00 121.20 119.33 3a18 s ILE 85 Ca -0.07 0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.48 3a18 s ILE 85 Cb -0.01 -3.29 0.21 0.00 0.01 0.00 0.00 42.46 39.38 3a18 s ILE 85 CO 0.01 0.37 1.28 1.51 0.00 0.00 0.00 174.94 178.11 3a18 s ASP 86 N 1.06 3.15 0.00 3.58 1.47 -0.23 -4.91 116.67 120.79 3a18 s ASP 86 Ca 0.06 0.04 0.24 0.00 1.18 0.00 0.00 52.55 54.07 3a18 s ASP 86 Cb -0.14 -0.07 1.41 0.00 -0.34 0.00 0.00 42.92 43.78 3a18 s ASP 86 CO 0.04 -2.69 1.81 -0.46 0.68 0.00 0.00 175.17 174.55 3a18 n ASN 87 N -3.65 0.00 -0.98 2.11 0.23 -1.26 -1.59 115.26 110.12 3a18 n ASN 87 Ca 0.16 -0.64 0.11 0.00 -0.53 0.00 0.00 54.58 53.68 3a18 n ASN 87 Cb 0.59 -0.05 0.16 0.00 -2.08 0.00 0.00 39.78 38.40 3a18 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a18 n GLN 88 N -1.05 2.23 -1.00 -3.83 1.13 -1.26 -4.98 117.38 108.62 3a18 n GLN 88 Ca 0.17 -2.04 -0.00 0.00 -1.94 0.00 0.00 57.00 53.19 3a18 n GLN 88 Cb 0.10 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.01 3a18 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a18 n GLY 89 N 1.28 0.46 3.77 1.08 0.00 -0.62 -5.03 105.19 106.13 3a18 n GLY 89 Ca 0.16 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3a18 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a18 s TYR 90 N -1.99 3.75 0.14 1.61 1.51 -1.26 -4.80 117.35 116.30 3a18 s TYR 90 Ca 0.00 1.31 -0.22 0.00 -1.01 0.00 0.00 57.07 57.15 3a18 s TYR 90 Cb 0.00 -2.63 -0.07 0.00 -0.11 0.00 0.00 41.96 39.14 3a18 s TYR 90 CO 0.00 0.42 0.68 -1.21 -1.11 0.00 0.00 175.55 174.33 3a18 s GLU 91 N -0.52 4.37 -0.16 -0.62 2.02 0.20 -1.06 118.70 122.93 3a18 s GLU 91 Ca 0.32 0.94 -0.02 0.00 0.02 0.00 0.00 54.97 56.23 3a18 s GLU 91 Cb -0.19 -3.19 0.05 0.00 0.10 0.00 0.00 34.13 30.89 3a18 s GLU 91 CO 0.20 0.57 -0.00 -0.80 0.02 0.00 0.00 175.26 175.25 3a18 s ASN 92 N -1.22 2.60 -0.23 -0.19 0.01 0.10 -1.42 114.94 114.60 3a18 s ASN 92 Ca 0.34 -0.61 -0.18 0.00 -0.71 0.00 0.00 52.86 51.71 3a18 s ASN 92 Cb -0.21 -0.68 -0.03 0.00 0.41 0.00 0.00 41.25 40.75 3a18 s ASN 92 CO 0.22 -0.24 0.49 -0.76 -1.51 0.00 0.00 177.10 175.31 3a18 s LEU 93 N 1.80 4.11 -0.11 0.60 1.02 0.29 -1.83 118.68 124.57 3a18 s LEU 93 Ca 0.01 0.57 0.01 0.00 0.02 0.00 0.00 54.13 54.74 3a18 s LEU 93 Cb -0.15 -2.64 0.02 0.00 0.02 0.00 0.00 46.19 43.43 3a18 s LEU 93 CO -0.07 -0.20 -0.13 -0.63 0.02 0.00 0.00 176.35 175.33 3a18 s ILE 94 N 1.86 1.36 -0.24 -0.59 1.01 -0.20 -0.04 121.20 124.35 3a18 s ILE 94 Ca 0.22 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.24 3a18 s ILE 94 Cb -0.15 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3a18 s ILE 94 CO 0.09 0.41 0.09 -0.69 0.00 0.00 0.00 174.94 174.85 3a18 s VAL 95 N 1.15 4.59 -0.21 2.92 1.01 0.23 -0.48 120.40 129.60 3a18 s VAL 95 Ca -0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 3a18 s VAL 95 Cb -0.14 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3a18 s VAL 95 CO -0.03 0.34 0.10 0.54 0.00 0.00 0.00 175.10 176.05 3a18 s VAL 96 N 1.45 5.00 -0.03 2.92 0.11 -0.60 -0.35 120.40 128.89 3a18 s VAL 96 Ca 0.06 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 3a18 s VAL 96 Cb -0.15 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.37 3a18 s VAL 96 CO 0.05 0.40 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.34 3a18 s GLY 97 N 0.76 1.77 -0.15 6.54 0.00 0.60 -2.22 107.32 114.62 3a18 s GLY 97 Ca 0.05 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3a18 s GLY 97 CO 0.02 -0.78 -0.21 -0.19 0.00 0.00 0.00 173.10 171.94 3a18 s TYR 98 N -0.95 2.71 -0.01 1.90 1.51 -0.29 -0.67 117.35 121.55 3a18 s TYR 98 Ca 0.16 -1.44 0.01 0.00 -1.01 0.00 0.00 57.07 54.79 3a18 s TYR 98 Cb -0.11 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.85 3a18 s TYR 98 CO 0.06 -0.68 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.23 3a18 s TRP 99 N 0.97 3.05 -1.61 2.71 0.51 -0.60 -0.73 118.94 123.23 3a18 s TRP 99 Ca -0.03 0.07 0.30 0.00 -2.12 0.00 0.00 56.10 54.32 3a18 s TRP 99 Cb -0.15 -1.67 1.50 0.00 -0.81 0.00 0.00 33.47 32.34 3a18 s TRP 99 CO -0.06 0.44 2.03 1.63 -0.51 0.00 0.00 176.95 180.48 3a18 n LYS 100 N 1.53 0.63 -3.51 4.98 5.02 -1.26 -1.89 118.16 123.66 3a18 n LYS 100 Ca -0.15 -0.08 -0.11 0.00 -2.02 0.00 0.00 58.31 55.94 3a18 n LYS 100 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 3a18 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a18 s ASP 101 N -2.43 -0.46 0.08 4.39 -4.77 -1.24 -4.60 116.67 107.65 3a18 s ASP 101 Ca 0.32 -0.13 -0.15 0.00 -3.30 0.00 0.00 52.55 49.30 3a18 s ASP 101 Cb 0.21 0.57 -0.17 0.00 -1.09 0.00 0.00 42.92 42.44 3a18 s ASP 101 CO 0.45 -0.96 1.27 0.58 0.70 0.00 0.00 175.17 177.21 3a18 h VAL 102 N 2.11 1.31 -0.53 2.11 2.07 -1.90 -3.26 116.25 118.16 3a18 h VAL 102 Ca -0.33 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 3a18 h VAL 102 Cb 1.29 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3a18 h VAL 102 CO 0.40 0.60 0.28 0.77 0.02 0.00 0.00 177.57 179.64 3a18 h SER 103 N 0.37 0.67 -0.71 0.57 4.64 -1.97 -0.93 113.55 116.19 3a18 h SER 103 Ca -0.05 -0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.22 3a18 h SER 103 Cb 1.32 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 63.19 3a18 h SER 103 CO 0.14 0.58 0.41 0.77 -0.87 0.00 0.00 176.83 177.86 3a18 h SER 104 N 0.71 0.63 -0.54 4.97 4.64 -1.93 0.12 113.55 122.16 3a18 h SER 104 Ca 0.18 0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.42 3a18 h SER 104 Cb 0.07 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3a18 h SER 104 CO -0.03 0.41 -0.10 -0.61 -0.87 0.00 0.00 176.83 175.64 3a18 h GLN 105 N 0.77 1.02 -0.26 4.77 -0.00 -1.48 -0.58 115.11 119.34 3a18 h GLN 105 Ca 0.31 -0.37 -0.02 0.00 -0.00 0.00 0.00 58.65 58.56 3a18 h GLN 105 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3a18 h GLN 105 CO -0.17 1.06 0.07 1.25 0.00 0.00 0.00 178.83 181.04 3a18 h HIS 106 N 0.89 0.43 -0.90 3.99 2.76 -0.92 -0.92 115.15 120.48 3a18 h HIS 106 Ca 0.14 -0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 3a18 h HIS 106 Cb 0.67 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.44 3a18 h HIS 106 CO 0.05 0.49 0.58 0.00 -1.30 0.00 0.00 177.93 177.75 3a18 h ARG 107 N 0.24 0.93 0.05 5.26 3.08 -0.83 -1.75 114.38 121.36 3a18 h ARG 107 Ca 0.08 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3a18 h ARG 107 Cb 0.27 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3a18 h ARG 107 CO 0.00 0.62 -0.02 2.35 -1.07 0.00 0.00 179.97 181.85 3a18 h TRP 108 N 0.96 -0.06 0.00 3.04 7.01 -0.84 -2.41 115.95 123.65 3a18 h TRP 108 Ca 0.40 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.36 3a18 h TRP 108 Cb 0.29 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 3a18 h TRP 108 CO -0.00 0.33 -0.17 0.66 -2.79 0.00 0.00 178.44 176.46 3a18 h SER 109 N -0.46 0.00 0.46 2.65 4.64 -1.02 -2.74 113.55 117.08 3a18 h SER 109 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3a18 h SER 109 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3a18 h SER 109 CO 0.01 0.17 -0.72 0.35 -0.87 0.00 0.00 176.83 175.78 3a18 n THR 110 N -3.29 0.09 -1.94 2.95 -2.24 -0.67 -3.49 114.28 105.68 3a18 n THR 110 Ca 0.01 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 3a18 n THR 110 Cb 0.43 0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3a18 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a18 s SER 111 N -3.39 6.26 0.18 3.42 1.04 -0.91 -4.71 113.70 115.60 3a18 s SER 111 Ca 0.08 2.82 -0.15 0.00 0.48 0.00 0.00 55.95 59.17 3a18 s SER 111 Cb 0.16 -2.65 0.16 0.00 0.10 0.00 0.00 66.02 63.79 3a18 s SER 111 CO 0.75 -0.90 1.65 0.74 0.98 0.00 0.00 173.24 176.46 3a18 h THR 112 N 2.61 0.51 0.00 2.02 2.02 -1.91 0.43 112.91 118.59 3a18 h THR 112 Ca -0.50 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3a18 h THR 112 Cb 1.25 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3a18 h THR 112 CO 0.63 0.00 -0.08 -0.65 0.37 0.00 0.00 175.52 175.79 3a18 h PRO 113 N 0.01 0.00 0.11 6.66 0.11 -1.93 -0.04 132.00 136.92 3a18 h PRO 113 Ca 0.24 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.09 3a18 h PRO 113 Cb 0.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 3a18 h PRO 113 CO -0.50 0.08 -1.30 0.82 -0.21 0.00 0.00 178.00 176.89 3a18 h ILE 114 N 0.00 1.10 -0.39 4.15 1.08 -1.60 -3.31 117.51 118.53 3a18 h ILE 114 Ca -0.00 -2.40 -0.12 0.00 -0.39 0.00 0.00 64.86 61.95 3a18 h ILE 114 Cb 0.15 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 3a18 h ILE 114 CO 0.01 0.68 -0.22 0.00 -0.69 0.00 0.00 178.15 177.93 3a18 h ALA 115 N -0.05 0.56 0.00 1.87 0.00 -0.75 -2.78 119.26 118.10 3a18 h ALA 115 Ca -0.28 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 3a18 h ALA 115 Cb 1.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3a18 h ALA 115 CO 0.05 0.53 -0.32 0.66 0.00 0.00 0.00 179.25 180.18 3a18 h SER 116 N 0.65 0.00 -0.17 0.00 4.64 -1.20 -1.63 113.55 115.84 3a18 h SER 116 Ca 0.08 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.29 3a18 h SER 116 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3a18 h SER 116 CO 0.06 0.32 -0.32 -0.25 -0.87 0.00 0.00 176.83 175.77 3a18 h TRP 117 N 0.00 0.65 -0.08 4.77 7.01 -1.62 -2.46 115.95 124.22 3a18 h TRP 117 Ca -0.00 -0.23 -0.16 0.00 2.11 0.00 0.00 58.89 60.60 3a18 h TRP 117 Cb 0.62 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 3a18 h TRP 117 CO 0.00 0.96 -0.65 2.35 -2.79 0.00 0.00 178.44 178.30 3a18 h TRP 118 N 0.16 0.44 -0.01 2.65 2.91 -1.32 -3.06 115.95 117.72 3a18 h TRP 118 Ca 0.01 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.85 3a18 h TRP 118 Cb 0.91 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 3a18 h TRP 118 CO 0.09 0.89 -0.15 0.39 -1.03 0.00 0.00 178.44 178.64 3a18 n GLU 119 N -3.86 0.76 -2.00 2.65 1.02 -0.63 -4.94 120.64 113.65 3a18 n GLU 119 Ca -0.03 -0.33 -0.37 0.00 -0.02 0.00 0.00 57.16 56.41 3a18 n GLU 119 Cb 0.66 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.61 3a18 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a18 s SER 120 N -2.46 5.35 0.45 1.62 0.15 -0.93 -4.92 113.70 112.96 3a18 s SER 120 Ca 0.28 2.47 0.18 0.00 0.70 0.00 0.00 55.95 59.58 3a18 s SER 120 Cb 0.20 -2.61 1.06 0.00 -1.71 0.00 0.00 66.02 62.96 3a18 s SER 120 CO 0.48 -1.49 1.96 -0.33 1.20 0.00 0.00 173.24 175.06 3a18 h GLU 121 N 1.20 0.00 -0.22 5.44 4.39 -1.90 -2.70 114.58 120.79 3a18 h GLU 121 Ca -0.50 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.26 3a18 h GLU 121 Cb 1.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 3a18 h GLU 121 CO 0.56 0.22 0.22 -0.44 -1.16 0.00 0.00 179.01 178.41 3a18 h ASP 122 N 0.00 0.00 0.19 1.42 3.32 -1.92 -2.15 116.42 117.28 3a18 h ASP 122 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3a18 h ASP 122 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3a18 h ASP 122 CO 0.03 0.00 -0.31 0.03 -1.72 0.00 0.00 179.24 177.27 3a18 h ARG 123 N 0.00 0.19 0.04 3.56 2.47 -1.77 0.62 114.38 119.49 3a18 h ARG 123 Ca 0.10 -0.07 -0.29 0.00 -1.26 0.00 0.00 59.98 58.46 3a18 h ARG 123 Cb 0.54 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 3a18 h ARG 123 CO -0.00 0.49 -1.61 -0.07 0.56 0.00 0.00 179.97 179.34 3a18 h LEU 124 N 0.17 0.13 0.00 3.04 3.38 -1.59 -3.36 115.31 117.08 3a18 h LEU 124 Ca 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3a18 h LEU 124 Cb 0.65 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3a18 h LEU 124 CO 0.05 1.21 -0.28 0.77 0.09 0.00 0.00 178.44 180.27 3a18 h SER 125 N 0.02 0.00 -0.70 -0.43 4.64 -1.38 -3.36 113.55 112.35 3a18 h SER 125 Ca -0.26 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.10 3a18 h SER 125 Cb 1.98 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.03 3a18 h SER 125 CO 0.10 0.01 0.46 0.44 -0.87 0.00 0.00 176.83 176.98 3a18 h ASP 126 N 0.00 0.61 0.00 4.97 3.32 -1.02 -3.46 116.42 120.84 3a18 h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a18 h ASP 126 Cb 0.91 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3a18 h ASP 126 CO 0.00 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 3a18 n GLY 127 N -1.46 1.70 3.90 2.75 0.00 -1.26 -5.04 105.19 105.79 3a18 n GLY 127 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 3a18 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a18 s LEU 128 N 0.00 3.90 0.22 0.99 1.43 -1.26 -4.99 118.68 118.98 3a18 s LEU 128 Ca 0.00 0.89 -0.20 0.00 -1.03 0.00 0.00 54.13 53.79 3a18 s LEU 128 Cb 0.00 -3.76 -0.08 0.00 0.03 0.00 0.00 46.19 42.38 3a18 s LEU 128 CO 0.00 -0.34 0.73 -0.83 0.23 0.00 0.00 176.35 176.14 3a18 s GLY 129 N -3.36 2.62 0.04 -3.19 0.00 0.11 -4.70 107.32 98.83 3a18 s GLY 129 Ca 0.47 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.41 3a18 s GLY 129 CO 0.33 0.54 -0.13 -1.36 0.00 0.00 0.00 173.10 172.48 3a18 s PHE 130 N -1.52 1.17 0.04 1.90 0.08 0.15 -0.10 117.98 119.69 3a18 s PHE 130 Ca 0.43 -0.37 -0.09 0.00 0.12 0.00 0.00 56.93 57.03 3a18 s PHE 130 Cb -0.17 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.59 3a18 s PHE 130 CO 0.21 0.03 0.18 -0.59 -0.10 0.00 0.00 175.22 174.95 3a18 s PHE 131 N -0.90 0.07 -0.13 0.36 -0.12 -0.70 -0.24 117.98 116.31 3a18 s PHE 131 Ca 0.00 -0.29 -0.01 0.00 -0.05 0.00 0.00 56.93 56.59 3a18 s PHE 131 Cb -0.08 -0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.30 3a18 s PHE 131 CO 0.01 -0.41 -0.05 1.03 -0.05 0.00 0.00 175.22 175.75 3a18 s ARG 132 N -2.48 1.35 -0.44 1.99 0.52 0.12 -0.80 118.95 119.21 3a18 s ARG 132 Ca -0.06 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3a18 s ARG 132 Cb -0.02 -1.70 0.12 0.00 0.52 0.00 0.00 34.95 33.88 3a18 s ARG 132 CO -0.03 -0.35 0.17 -1.21 0.02 0.00 0.00 175.30 173.89 3a18 s GLU 133 N 1.72 1.71 -0.17 3.54 2.02 -0.16 0.03 118.70 127.40 3a18 s GLU 133 Ca 0.03 -2.25 -0.02 0.00 0.02 0.00 0.00 54.97 52.75 3a18 s GLU 133 Cb -0.14 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 3a18 s GLU 133 CO -0.08 -1.04 -0.07 0.42 0.02 0.00 0.00 175.26 174.51 3a18 s ILE 134 N 0.28 3.39 0.06 -1.63 1.01 -0.23 -1.43 121.20 122.65 3a18 s ILE 134 Ca 0.14 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3a18 s ILE 134 Cb -0.23 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3a18 s ILE 134 CO -0.04 0.48 -0.09 0.68 0.00 0.00 0.00 174.94 175.97 3a18 s VAL 135 N 0.75 0.75 -0.46 2.92 -7.23 -0.64 -0.73 120.40 115.76 3a18 s VAL 135 Ca -0.03 -1.32 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 3a18 s VAL 135 Cb -0.15 -0.96 0.17 0.00 0.56 0.00 0.00 36.38 36.01 3a18 s VAL 135 CO 0.02 -0.44 0.37 0.00 -0.31 0.00 0.00 175.10 174.74 3a18 n ALA 136 N 1.09 2.95 -1.82 1.32 0.00 -0.38 -0.45 120.51 123.22 3a18 n ALA 136 Ca -0.20 -3.34 -0.40 0.00 0.00 0.00 0.00 53.44 49.49 3a18 n ALA 136 Cb 0.56 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.16 3a18 n ALA 136 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a18 s PRO 137 N -0.22 4.68 0.83 0.00 0.04 -1.18 -4.76 135.00 134.40 3a18 s PRO 137 Ca 0.32 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.97 3a18 s PRO 137 Cb 0.03 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.44 3a18 s PRO 137 CO -0.19 0.26 1.10 1.03 0.04 0.00 0.00 177.00 179.23 3a18 s ARG 138 N -1.18 1.75 0.53 4.56 0.52 -1.26 -1.33 118.95 122.53 3a18 s ARG 138 Ca 0.45 1.14 0.24 0.00 -0.52 0.00 0.00 55.73 57.03 3a18 s ARG 138 Cb -0.30 -1.84 1.38 0.00 0.52 0.00 0.00 34.95 34.71 3a18 s ARG 138 CO 0.38 -1.99 2.02 0.00 0.02 0.00 0.00 175.30 175.73 3a18 h ALA 139 N -1.38 2.41 0.00 2.13 0.00 -0.51 0.13 119.26 122.03 3a18 h ALA 139 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a18 h ALA 139 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a18 h ALA 139 CO 0.50 -0.54 0.00 -0.85 0.00 0.00 0.00 179.25 178.36 3a18 n GLU 140 N -4.40 0.06 -0.40 0.00 0.28 -1.26 -3.76 120.64 111.16 3a18 n GLU 140 Ca 0.07 0.12 0.08 0.00 -0.16 0.00 0.00 57.16 57.27 3a18 n GLU 140 Cb 0.52 -1.58 0.24 0.00 1.43 0.00 0.00 31.44 32.05 3a18 n GLU 140 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3a18 n GLN 141 N -1.69 3.07 -3.97 3.44 6.02 0.43 -1.35 117.38 123.34 3a18 n GLN 141 Ca 0.06 -2.64 -0.09 0.00 -0.01 0.00 0.00 57.00 54.32 3a18 n GLN 141 Cb 0.31 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.77 3a18 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a18 s PHE 142 N -2.23 0.28 0.08 1.08 -0.12 -1.23 -1.04 117.98 114.80 3a18 s PHE 142 Ca 0.38 -0.64 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 3a18 s PHE 142 Cb 0.28 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3a18 s PHE 142 CO 0.12 -0.34 -0.11 -1.83 -0.05 0.00 0.00 175.22 173.01 3a18 s GLU 143 N -2.73 0.78 0.17 1.99 4.04 -0.36 -4.62 118.70 117.96 3a18 s GLU 143 Ca -0.04 -1.00 0.09 0.00 0.04 0.00 0.00 54.97 54.06 3a18 s GLU 143 Cb -0.01 -0.62 -0.04 0.00 0.02 0.00 0.00 34.13 33.49 3a18 s GLU 143 CO -0.05 0.12 -0.18 0.95 -1.84 0.00 0.00 175.26 174.25 3a18 s THR 144 N -1.73 1.85 -0.14 1.83 -4.23 -1.26 -1.42 115.64 110.54 3a18 s THR 144 Ca -0.01 -1.94 -0.06 0.00 -1.18 0.00 0.00 61.69 58.50 3a18 s THR 144 Cb -0.07 -1.87 0.06 0.00 1.34 0.00 0.00 72.50 71.96 3a18 s THR 144 CO 0.01 -0.32 0.29 -0.22 -0.54 0.00 0.00 174.62 173.85 3a18 s LEU 145 N -2.71 -0.11 -0.06 4.79 2.96 -0.37 -4.65 118.68 118.53 3a18 s LEU 145 Ca 0.16 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 3a18 s LEU 145 Cb -0.06 0.87 0.00 0.00 0.50 0.00 0.00 46.19 47.51 3a18 s LEU 145 CO 0.07 -0.21 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.42 3a18 s TYR 146 N 1.99 1.74 -0.53 5.38 2.02 0.23 -1.12 117.35 127.06 3a18 s TYR 146 Ca -0.03 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.11 3a18 s TYR 146 Cb -0.11 -1.21 0.33 0.00 -0.40 0.00 0.00 41.96 40.57 3a18 s TYR 146 CO -0.10 -0.26 1.15 0.00 -1.57 0.00 0.00 175.55 174.77 3a18 n ALA 147 N 3.50 3.32 -3.62 3.71 0.00 -0.34 -1.27 120.51 125.82 3a18 n ALA 147 Ca -0.20 -0.95 -0.08 0.00 0.00 0.00 0.00 53.44 52.21 3a18 n ALA 147 Cb 0.52 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 3a18 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a18 s PHE 148 N -1.65 0.08 -0.01 0.00 -0.71 -1.26 -4.81 117.98 109.63 3a18 s PHE 148 Ca 0.24 -0.54 0.02 0.00 -1.04 0.00 0.00 56.93 55.61 3a18 s PHE 148 Cb 0.19 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.52 3a18 s PHE 148 CO 0.06 -1.23 0.04 1.04 -1.34 0.00 0.00 175.22 173.79 3a18 n GLN 149 N -0.46 0.52 -4.33 1.99 6.02 -1.26 -4.67 117.38 115.19 3a18 n GLN 149 Ca -0.04 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 3a18 n GLN 149 Cb 0.60 -1.00 -0.09 0.00 1.02 0.00 0.00 30.24 30.76 3a18 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a18 s GLU 150 N -2.04 2.64 -0.84 -1.09 1.03 -1.26 -4.75 118.70 112.39 3a18 s GLU 150 Ca -0.01 -0.70 -0.03 0.00 0.03 0.00 0.00 54.97 54.27 3a18 s GLU 150 Cb 0.01 -2.57 -0.03 0.00 -0.80 0.00 0.00 34.13 30.73 3a18 s GLU 150 CO 0.07 0.60 0.72 -3.47 -1.33 0.00 0.00 175.26 171.85 3a18 n ASP 151 N 1.33 -4.23 -4.71 0.83 2.03 -1.26 -4.89 116.55 105.65 3a18 n ASP 151 Ca -0.14 -0.51 -0.42 0.00 0.52 0.00 0.00 54.79 54.23 3a18 n ASP 151 Cb 0.52 -4.05 -0.03 0.00 -0.72 0.00 0.00 41.12 36.85 3a18 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3a18 s LEU 152 N -4.99 4.37 0.61 -2.67 1.43 -1.26 -5.02 118.68 111.15 3a18 s LEU 152 Ca 0.22 2.39 -0.08 0.00 -1.03 0.00 0.00 54.13 55.63 3a18 s LEU 152 Cb -0.03 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3a18 s LEU 152 CO 0.56 -0.72 0.95 -2.16 0.23 0.00 0.00 176.35 175.21 3a18 s PRO 153 N 1.31 3.01 4.90 1.29 0.04 -1.26 -3.14 135.00 141.15 3a18 s PRO 153 Ca 0.66 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.90 3a18 s PRO 153 Cb -0.38 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 31.96 3a18 s PRO 153 CO 0.30 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 177.02 3a18 n GLY 154 N -2.68 1.75 0.27 0.56 0.00 -1.26 -2.86 105.19 100.97 3a18 n GLY 154 Ca 0.05 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.59 3a18 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a18 h VAL 155 N 0.00 0.74 -0.30 1.61 3.04 -1.99 -1.22 116.25 118.12 3a18 h VAL 155 Ca 0.00 -0.14 0.09 0.00 -1.01 0.00 0.00 66.70 65.64 3a18 h VAL 155 Cb 0.00 1.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 3a18 h VAL 155 CO 0.00 0.04 0.22 1.23 -1.01 0.00 0.00 177.57 178.05 3a18 h GLY 156 N 0.17 0.00 2.00 3.17 0.00 -1.81 -1.58 103.07 105.01 3a18 h GLY 156 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3a18 h GLY 156 CO 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.51 3a18 h ALA 157 N 1.84 1.02 -0.02 3.60 0.00 -1.16 -2.85 119.26 121.69 3a18 h ALA 157 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3a18 h ALA 157 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3a18 h ALA 157 CO -0.00 0.05 -0.28 1.33 0.00 0.00 0.00 179.25 180.35 3a18 n VAL 158 N -3.17 0.00 -1.97 0.00 0.24 -0.61 -4.95 118.33 107.87 3a18 n VAL 158 Ca -0.00 -0.36 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 3a18 n VAL 158 Cb 0.29 1.27 0.17 0.00 -1.47 0.00 0.00 33.84 34.10 3a18 n VAL 158 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3a18 s MET 159 N -1.99 0.85 0.05 7.34 -1.94 -1.08 -4.96 119.30 117.58 3a18 s MET 159 Ca 0.18 -0.40 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3a18 s MET 159 Cb 0.15 -1.89 -0.25 0.00 2.01 0.00 0.00 34.83 34.85 3a18 s MET 159 CO 0.41 -2.26 1.03 -0.44 -0.01 0.00 0.00 175.02 173.74 3a18 h ASP 160 N -1.50 0.23 0.00 3.03 3.32 -0.43 -3.49 116.42 117.58 3a18 h ASP 160 Ca -0.44 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.32 3a18 h ASP 160 Cb 1.25 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.72 3a18 h ASP 160 CO 0.41 1.24 0.00 0.61 -1.72 0.00 0.00 179.24 179.78 3a18 n GLY 161 N 1.52 -0.63 3.75 2.75 0.00 -0.80 -5.00 105.19 106.79 3a18 n GLY 161 Ca -0.10 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.90 3a18 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a18 s ILE 162 N -3.00 4.43 0.83 -0.61 1.10 -1.26 -0.17 121.20 122.52 3a18 s ILE 162 Ca 0.00 -0.75 -0.10 0.00 -0.51 0.00 0.00 60.65 59.29 3a18 s ILE 162 Cb 0.00 -3.11 0.14 0.00 0.15 0.00 0.00 42.46 39.65 3a18 s ILE 162 CO 0.00 0.17 1.16 -0.94 -2.11 0.00 0.00 174.94 173.22 3a18 s SER 163 N -2.23 3.91 1.03 4.50 1.04 -0.45 -4.78 113.70 116.72 3a18 s SER 163 Ca 0.27 0.19 -0.07 0.00 0.48 0.00 0.00 55.95 56.82 3a18 s SER 163 Cb -0.12 -0.49 0.10 0.00 0.10 0.00 0.00 66.02 65.61 3a18 s SER 163 CO 0.19 -2.20 0.50 0.61 0.98 0.00 0.00 173.24 173.32 3a18 n GLY 164 N -3.31 -1.68 3.73 7.32 0.00 -1.26 -4.74 105.19 105.25 3a18 n GLY 164 Ca 0.13 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3a18 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a18 s GLU 165 N -4.10 4.19 0.07 1.61 2.02 -1.26 -4.52 118.70 116.70 3a18 s GLU 165 Ca 0.29 2.45 0.02 0.00 0.02 0.00 0.00 54.97 57.76 3a18 s GLU 165 Cb -0.01 -3.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 3a18 s GLU 165 CO 0.21 -0.59 0.11 0.96 0.02 0.00 0.00 175.26 175.97 3a18 s ILE 166 N 0.53 4.75 0.09 -1.63 -4.36 -0.68 -3.57 121.20 116.33 3a18 s ILE 166 Ca 0.66 -0.67 -0.14 0.00 -0.26 0.00 0.00 60.65 60.25 3a18 s ILE 166 Cb -0.45 -3.30 -0.19 0.00 1.25 0.00 0.00 42.46 39.77 3a18 s ILE 166 CO 0.39 0.13 1.25 -1.13 0.24 0.00 0.00 174.94 175.82 3a18 h ASN 167 N 3.23 0.92 -0.33 4.36 -0.73 -1.62 -3.41 115.58 118.01 3a18 h ASN 167 Ca -0.46 -0.68 -0.70 0.00 1.87 0.00 0.00 56.30 56.33 3a18 h ASN 167 Cb 1.16 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 39.45 3a18 h ASN 167 CO 0.68 1.46 3.29 -0.62 -0.37 0.00 0.00 177.43 181.88 3a18 n GLU 168 N -3.92 3.68 -3.90 6.67 4.71 -1.26 -4.48 120.64 122.13 3a18 n GLU 168 Ca -0.09 -2.63 -0.08 0.00 -0.01 0.00 0.00 57.16 54.35 3a18 n GLU 168 Cb 0.80 -2.89 -0.03 0.00 -1.01 0.00 0.00 31.44 28.31 3a18 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a18 s HIS 169 N 1.63 0.03 0.00 -0.32 -3.43 -1.26 -4.68 115.29 107.26 3a18 s HIS 169 Ca 0.60 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 3a18 s HIS 169 Cb 0.17 0.49 0.00 0.00 -1.43 0.00 0.00 32.58 31.80 3a18 s HIS 169 CO -0.07 -1.12 0.00 0.41 -2.00 0.00 0.00 174.74 171.96 3a18 n GLY 170 N -0.42 0.83 3.25 -1.38 0.00 -1.26 -4.63 105.19 101.58 3a18 n GLY 170 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 3a18 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a18 s TYR 171 N -2.05 -0.19 0.15 1.61 1.13 -1.26 -4.93 117.35 111.80 3a18 s TYR 171 Ca 0.00 0.28 -0.31 0.00 -1.41 0.00 0.00 57.07 55.62 3a18 s TYR 171 Cb 0.00 0.11 -0.10 0.00 -1.10 0.00 0.00 41.96 40.87 3a18 s TYR 171 CO 0.00 -0.41 1.52 -1.58 -2.51 0.00 0.00 175.55 172.58 3a18 s TRP 172 N -1.41 3.11 0.00 -3.49 0.52 -1.26 -1.60 118.94 114.81 3a18 s TRP 172 Ca -0.13 0.71 0.00 0.00 0.02 0.00 0.00 56.10 56.70 3a18 s TRP 172 Cb -0.05 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 3a18 s TRP 172 CO 0.04 -3.16 0.00 0.41 0.02 0.00 0.00 176.95 174.25 3a18 n GLY 173 N 3.69 0.26 0.18 0.98 0.00 -1.26 -4.97 105.19 104.07 3a18 n GLY 173 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 3a18 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a18 h SER 174 N 0.00 0.36 -0.00 1.61 4.64 -1.62 -2.88 113.55 115.65 3a18 h SER 174 Ca 0.00 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 3a18 h SER 174 Cb 0.00 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3a18 h SER 174 CO 0.00 0.87 -0.16 -0.03 -0.87 0.00 0.00 176.83 176.64 3a18 h MET 175 N 0.24 -0.26 -0.68 4.77 -1.53 -1.83 -1.53 114.93 114.11 3a18 h MET 175 Ca -0.00 0.02 0.12 0.00 -3.44 0.00 0.00 59.70 56.39 3a18 h MET 175 Cb 1.11 0.06 -0.09 0.00 -0.55 0.00 0.00 31.60 32.13 3a18 h MET 175 CO 0.10 -0.17 0.25 -0.09 0.14 0.00 0.00 176.91 177.13 3a18 h ARG 176 N -0.27 0.39 0.00 0.39 2.43 -1.95 -1.08 114.38 114.30 3a18 h ARG 176 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a18 h ARG 176 Cb 0.34 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3a18 h ARG 176 CO -0.16 0.26 0.00 0.93 -1.51 0.00 0.00 179.97 179.49 3a18 h GLU 177 N 0.40 0.00 0.00 0.20 5.08 -1.24 -2.15 114.58 116.88 3a18 h GLU 177 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3a18 h GLU 177 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3a18 h GLU 177 CO -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 3a18 h ARG 178 N 0.00 0.00 -6.21 2.33 3.08 -0.17 -3.43 114.38 109.98 3a18 h ARG 178 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3a18 h ARG 178 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3a18 h ARG 178 CO 0.00 0.00 1.00 -0.06 -1.07 0.00 0.00 179.97 179.84 3a18 s PHE 179 N -3.24 2.39 0.38 3.04 0.40 -0.81 -4.58 117.98 115.57 3a18 s PHE 179 Ca 0.07 0.60 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 3a18 s PHE 179 Cb 0.09 -3.73 0.87 0.00 0.51 0.00 0.00 43.02 40.76 3a18 s PHE 179 CO 0.59 -2.78 1.93 -1.35 0.70 0.00 0.00 175.22 174.31 3a18 h PRO 180 N 8.98 0.60 0.00 0.24 0.11 -1.81 -1.63 132.00 138.48 3a18 h PRO 180 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a18 h PRO 180 Cb 1.14 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3a18 h PRO 180 CO 0.97 0.39 0.00 1.51 -0.21 0.00 0.00 178.00 180.66 3a18 n ILE 181 N -4.50 0.91 0.30 4.15 3.06 -0.46 -2.50 119.36 120.32 3a18 n ILE 181 Ca 0.13 0.36 0.14 0.00 -2.50 0.00 0.00 62.75 60.88 3a18 n ILE 181 Cb 0.37 -1.30 0.66 0.00 0.54 0.00 0.00 39.64 39.91 3a18 n ILE 181 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3a18 h SER 182 N 0.00 0.00 0.31 9.51 4.64 -1.46 0.37 113.55 126.92 3a18 h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a18 h SER 182 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3a18 h SER 182 CO 0.00 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.52 3a18 h GLN 183 N 0.00 0.00 0.00 4.77 4.20 -1.67 -3.38 115.11 119.03 3a18 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a18 h GLN 183 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3a18 h GLN 183 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 3a18 n THR 184 N -3.08 0.00 -5.00 -0.54 -2.24 -0.56 -1.11 114.28 101.75 3a18 n THR 184 Ca -0.02 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.48 3a18 n THR 184 Cb 0.14 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.21 3a18 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a18 s ASP 185 N -0.78 2.46 0.42 3.42 -1.08 0.12 -4.74 116.67 116.50 3a18 s ASP 185 Ca 0.00 -0.40 0.28 0.00 -0.52 0.00 0.00 52.55 51.92 3a18 s ASP 185 Cb 0.00 -0.55 0.98 0.00 -1.46 0.00 0.00 42.92 41.90 3a18 s ASP 185 CO 0.00 0.21 1.82 -0.50 0.52 0.00 0.00 175.17 177.21 3a18 h TRP 186 N 6.00 0.00 -6.28 -5.34 4.06 -1.91 -3.37 115.95 109.12 3a18 h TRP 186 Ca -0.35 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.14 3a18 h TRP 186 Cb 1.16 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.30 3a18 h TRP 186 CO 0.42 0.00 -0.77 -1.33 -3.56 0.00 0.00 178.44 173.20 3a18 n MET 187 N -2.81 -5.36 -2.40 0.49 2.81 -1.26 -4.92 117.12 103.66 3a18 n MET 187 Ca 0.02 0.59 -0.42 0.00 -1.81 0.00 0.00 57.70 56.09 3a18 n MET 187 Cb 0.36 -5.41 -0.03 0.00 -0.71 0.00 0.00 33.22 27.42 3a18 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a18 s GLN 188 N -6.52 4.45 0.31 0.03 0.74 -1.26 -4.60 119.66 112.81 3a18 s GLN 188 Ca 0.54 1.81 -0.28 0.00 0.05 0.00 0.00 55.36 57.48 3a18 s GLN 188 Cb -0.27 -3.31 -0.09 0.00 1.10 0.00 0.00 33.01 30.44 3a18 s GLN 188 CO 0.83 -0.20 1.13 0.00 -0.55 0.00 0.00 175.29 176.50 3a18 s ALA 189 N 0.69 3.36 0.06 1.58 0.00 -1.26 -4.62 121.76 121.57 3a18 s ALA 189 Ca 0.57 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.32 3a18 s ALA 189 Cb -0.31 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3a18 s ALA 189 CO 0.31 -0.28 0.35 -1.54 0.00 0.00 0.00 175.76 174.60 3a18 s SER 190 N -0.91 -0.18 0.00 0.00 1.04 -1.16 -5.03 113.70 107.46 3a18 s SER 190 Ca 0.48 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.72 3a18 s SER 190 Cb -0.32 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3a18 s SER 190 CO 0.41 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3a18 n GLY 191 N 0.36 -2.24 3.08 7.32 0.00 -1.26 -1.87 105.19 110.57 3a18 n GLY 191 Ca -0.18 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 3a18 n GLY 191 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a18 s GLU 192 N -0.26 0.58 -0.09 1.61 -1.05 -1.26 -4.89 118.70 113.34 3a18 s GLU 192 Ca 0.00 -0.91 -0.30 0.00 -0.15 0.00 0.00 54.97 53.61 3a18 s GLU 192 Cb 0.00 -0.18 -0.03 0.00 -0.44 0.00 0.00 34.13 33.48 3a18 s GLU 192 CO 0.00 0.01 1.31 -1.17 0.95 0.00 0.00 175.26 176.36 3a18 s LEU 193 N -2.02 4.25 -0.02 1.83 2.96 -1.26 -4.23 118.68 120.19 3a18 s LEU 193 Ca -0.04 1.86 0.02 0.00 -0.22 0.00 0.00 54.13 55.75 3a18 s LEU 193 Cb -0.05 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.10 3a18 s LEU 193 CO -0.02 -0.72 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.10 3a18 s ARG 194 N 3.00 0.71 -0.09 1.98 0.52 -0.57 -0.69 118.95 123.81 3a18 s ARG 194 Ca 0.59 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.29 3a18 s ARG 194 Cb -0.25 -0.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.50 3a18 s ARG 194 CO 0.20 0.07 1.13 0.08 0.02 0.00 0.00 175.30 176.80 3a18 s VAL 195 N 0.25 4.47 -0.31 3.52 1.01 0.04 -0.41 120.40 128.97 3a18 s VAL 195 Ca -0.03 1.77 0.16 0.00 0.00 0.00 0.00 61.98 63.88 3a18 s VAL 195 Cb -0.08 -4.14 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3a18 s VAL 195 CO 0.00 -0.02 0.48 2.30 0.00 0.00 0.00 175.10 177.86 3a18 n ILE 196 N 4.69 0.00 -3.72 2.22 -5.35 0.53 -4.39 119.36 113.34 3a18 n ILE 196 Ca 0.10 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 3a18 n ILE 196 Cb 0.47 0.48 -0.10 0.00 -1.74 0.00 0.00 39.64 38.75 3a18 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a18 s ALA 197 N -2.87 -1.10 0.00 -1.28 0.00 -1.13 -4.99 121.76 110.39 3a18 s ALA 197 Ca -0.01 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3a18 s ALA 197 Cb 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3a18 s ALA 197 CO 0.66 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.62 3a18 n GLY 198 N 2.91 -1.78 3.27 0.00 0.00 -1.26 -1.41 105.19 106.91 3a18 n GLY 198 Ca -0.14 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.44 3a18 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a18 s ASP 199 N -4.00 -0.27 0.53 1.61 2.15 -1.26 -4.81 116.67 110.61 3a18 s ASP 199 Ca 0.00 0.99 0.19 0.00 0.43 0.00 0.00 52.55 54.16 3a18 s ASP 199 Cb 0.00 1.38 1.38 0.00 -0.30 0.00 0.00 42.92 45.38 3a18 s ASP 199 CO 0.00 -0.23 2.16 -0.65 -0.17 0.00 0.00 175.17 176.27 3a18 h PRO 200 N 8.17 0.00 0.00 4.34 0.11 -1.93 -2.46 132.00 140.23 3a18 h PRO 200 Ca -0.16 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 3a18 h PRO 200 Cb 1.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3a18 h PRO 200 CO 0.12 0.02 -0.10 0.00 -0.21 0.00 0.00 178.00 177.84 3a18 h ALA 201 N 1.98 1.03 0.00 -0.75 0.00 -1.96 -3.15 119.26 116.40 3a18 h ALA 201 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3a18 h ALA 201 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3a18 h ALA 201 CO 0.00 0.13 -1.44 0.28 0.00 0.00 0.00 179.25 178.22 3a18 n VAL 202 N -3.25 0.00 -3.81 0.00 0.31 -0.94 -5.04 118.33 105.60 3a18 n VAL 202 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3a18 n VAL 202 Cb 0.36 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 3a18 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a18 n GLY 203 N 1.40 -0.22 7.00 2.92 0.00 -1.17 -5.05 105.19 110.08 3a18 n GLY 203 Ca -0.00 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3a18 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a18 n GLY 204 N 0.00 0.40 3.68 -0.02 0.00 -1.26 -4.60 105.19 103.39 3a18 n GLY 204 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3a18 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a18 s ARG 205 N 0.00 4.33 -0.04 1.61 0.52 -1.26 -1.19 118.95 122.93 3a18 s ARG 205 Ca 0.00 0.95 0.03 0.00 -0.52 0.00 0.00 55.73 56.19 3a18 s ARG 205 Cb 0.00 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.93 3a18 s ARG 205 CO 0.00 -0.21 -0.13 0.08 0.02 0.00 0.00 175.30 175.06 3a18 s VAL 206 N 1.73 1.11 -0.14 3.52 1.01 0.13 -4.23 120.40 123.54 3a18 s VAL 206 Ca 0.38 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3a18 s VAL 206 Cb -0.17 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.25 3a18 s VAL 206 CO 0.14 0.33 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 3a18 s VAL 207 N 0.18 1.78 -0.08 2.92 1.01 -0.50 -1.02 120.40 124.69 3a18 s VAL 207 Ca -0.05 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.17 3a18 s VAL 207 Cb -0.11 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3a18 s VAL 207 CO 0.02 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.74 3a18 s VAL 208 N 1.06 2.64 -0.06 2.92 1.01 0.46 -0.35 120.40 128.09 3a18 s VAL 208 Ca -0.03 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 3a18 s VAL 208 Cb -0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3a18 s VAL 208 CO -0.05 0.56 0.07 -0.13 0.00 0.00 0.00 175.10 175.56 3a18 s ARG 209 N -0.13 3.14 0.83 2.72 0.52 0.45 -1.68 118.95 124.82 3a18 s ARG 209 Ca -0.03 -0.37 -0.09 0.00 -0.52 0.00 0.00 55.73 54.73 3a18 s ARG 209 Cb -0.14 -2.93 0.15 0.00 0.52 0.00 0.00 34.95 32.56 3a18 s ARG 209 CO 0.04 0.70 1.15 0.20 0.02 0.00 0.00 175.30 177.41 3a18 s GLY 210 N -1.31 1.76 0.51 -3.53 0.00 -1.26 -1.51 107.32 101.97 3a18 s GLY 210 Ca 0.18 -1.38 0.03 0.00 0.00 0.00 0.00 44.72 43.55 3a18 s GLY 210 CO 0.08 -0.74 0.10 -2.38 0.00 0.00 0.00 173.10 170.16 3a18 s HIS 211 N -3.51 1.89 0.14 1.90 -3.43 -1.26 -4.81 115.29 106.20 3a18 s HIS 211 Ca 0.69 -0.90 -0.31 0.00 -0.80 0.00 0.00 55.06 53.74 3a18 s HIS 211 Cb -0.05 -1.70 -0.11 0.00 -1.43 0.00 0.00 32.58 29.29 3a18 s HIS 211 CO 0.48 0.09 1.82 0.34 -2.00 0.00 0.00 174.74 175.48 3a18 s ASP 212 N -3.96 6.40 -1.28 7.38 2.15 -0.78 -3.20 116.67 123.38 3a18 s ASP 212 Ca 0.15 2.80 -0.06 0.00 0.43 0.00 0.00 52.55 55.87 3a18 s ASP 212 Cb 0.01 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3a18 s ASP 212 CO 0.09 -1.01 0.83 0.59 -0.17 0.00 0.00 175.17 175.49 3a18 n ASN 213 N 5.34 -5.77 -4.78 -0.34 3.02 0.49 -2.96 115.26 110.26 3a18 n ASN 213 Ca 0.17 -0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 53.94 3a18 n ASN 213 Cb 0.37 -4.48 -0.00 0.00 -0.61 0.00 0.00 39.78 35.06 3a18 n ASN 213 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3a18 s ILE 214 N -3.21 2.09 0.02 2.41 1.01 -1.19 -4.03 121.20 118.29 3a18 s ILE 214 Ca 0.41 0.09 0.04 0.00 0.00 0.00 0.00 60.65 61.19 3a18 s ILE 214 Cb -0.18 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 3a18 s ILE 214 CO 0.51 0.02 -0.07 0.00 0.00 0.00 0.00 174.94 175.39 3a18 s ALA 215 N -1.13 3.00 -0.11 9.38 0.00 -0.63 -2.41 121.76 129.85 3a18 s ALA 215 Ca 0.53 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3a18 s ALA 215 Cb -0.46 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.59 3a18 s ALA 215 CO 0.62 0.62 -0.12 -1.17 0.00 0.00 0.00 175.76 175.71 3a18 s LEU 216 N -1.53 1.56 -0.15 0.00 2.96 -0.07 -0.12 118.68 121.33 3a18 s LEU 216 Ca 0.18 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3a18 s LEU 216 Cb -0.11 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3a18 s LEU 216 CO 0.08 -0.03 -0.04 -0.51 -1.32 0.00 0.00 176.35 174.53 3a18 s ILE 217 N 1.24 3.88 -0.31 6.68 2.07 0.21 -0.64 121.20 134.33 3a18 s ILE 217 Ca -0.02 -0.37 -0.03 0.00 -1.41 0.00 0.00 60.65 58.82 3a18 s ILE 217 Cb -0.14 -2.69 0.05 0.00 0.13 0.00 0.00 42.46 39.81 3a18 s ILE 217 CO -0.05 0.51 0.03 -0.60 -1.91 0.00 0.00 174.94 172.92 3a18 s ARG 218 N 0.24 2.45 -0.21 3.50 3.52 -0.15 -1.00 118.95 127.30 3a18 s ARG 218 Ca -0.03 -1.27 -0.01 0.00 -0.13 0.00 0.00 55.73 54.29 3a18 s ARG 218 Cb -0.14 -3.26 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3a18 s ARG 218 CO 0.03 -0.65 -0.12 0.45 -0.81 0.00 0.00 175.30 174.21 3a18 s SER 219 N 1.31 3.78 0.26 -2.12 0.15 -0.86 -1.02 113.70 115.20 3a18 s SER 219 Ca -0.04 -0.57 0.12 0.00 0.70 0.00 0.00 55.95 56.16 3a18 s SER 219 Cb -0.20 -1.61 -0.05 0.00 -1.71 0.00 0.00 66.02 62.45 3a18 s SER 219 CO -0.00 -0.02 -0.20 -0.83 1.20 0.00 0.00 173.24 173.38 3a18 s GLY 220 N 1.37 1.82 -0.04 9.45 0.00 0.24 -0.28 107.32 119.88 3a18 s GLY 220 Ca 0.05 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.96 3a18 s GLY 220 CO -0.08 -1.89 -0.03 1.20 0.00 0.00 0.00 173.10 172.30 3a18 s GLN 221 N -3.34 0.70 -0.16 2.90 1.11 0.58 -2.56 119.66 118.89 3a18 s GLN 221 Ca 0.28 -0.05 -0.02 0.00 0.01 0.00 0.00 55.36 55.57 3a18 s GLN 221 Cb -0.05 -0.76 0.05 0.00 -1.01 0.00 0.00 33.01 31.23 3a18 s GLN 221 CO 0.13 -0.10 0.00 0.34 0.01 0.00 0.00 175.29 175.68 3a18 s ASP 222 N 0.99 2.65 -0.08 5.90 -1.08 0.16 -0.45 116.67 124.76 3a18 s ASP 222 Ca -0.10 -0.64 0.11 0.00 -0.52 0.00 0.00 52.55 51.40 3a18 s ASP 222 Cb -0.14 -0.66 0.17 0.00 -1.46 0.00 0.00 42.92 40.83 3a18 s ASP 222 CO -0.01 -0.25 1.08 -2.67 0.52 0.00 0.00 175.17 173.84 3a18 n TRP 223 N 5.02 0.00 -0.15 -5.34 2.14 -0.62 -0.76 117.44 117.73 3a18 n TRP 223 Ca -0.09 -0.78 0.03 0.00 2.07 0.00 0.00 57.50 58.73 3a18 n TRP 223 Cb 0.48 -0.11 0.32 0.00 -0.81 0.00 0.00 31.31 31.19 3a18 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a18 h ALA 224 N 0.00 1.59 -0.19 -1.67 0.00 -1.85 -2.88 119.26 114.27 3a18 h ALA 224 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a18 h ALA 224 Cb 0.83 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3a18 h ALA 224 CO 0.00 0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 3a18 n ASP 225 N -4.45 2.75 -4.76 0.00 8.00 -1.26 -4.97 116.55 111.86 3a18 n ASP 225 Ca 0.07 -1.81 -0.40 0.00 0.71 0.00 0.00 54.79 53.36 3a18 n ASP 225 Cb 0.09 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 3a18 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a18 s ALA 226 N -1.29 3.42 0.74 2.24 0.00 -1.09 -4.90 121.76 120.88 3a18 s ALA 226 Ca 0.25 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3a18 s ALA 226 Cb 0.16 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.97 3a18 s ALA 226 CO 0.22 -0.23 1.11 -1.21 0.00 0.00 0.00 175.76 175.64 3a18 s GLU 227 N -1.50 2.46 0.27 0.00 0.41 -1.26 -4.66 118.70 114.42 3a18 s GLU 227 Ca 0.45 0.23 -0.06 0.00 -0.41 0.00 0.00 54.97 55.17 3a18 s GLU 227 Cb -0.33 -2.03 0.48 0.00 -1.78 0.00 0.00 34.13 30.47 3a18 s GLU 227 CO 0.43 -1.24 1.50 0.00 -0.49 0.00 0.00 175.26 175.46 3a18 n ALA 228 N -3.08 0.27 -0.10 5.21 0.00 -1.26 -0.92 120.51 120.63 3a18 n ALA 228 Ca 0.07 1.05 -0.11 0.00 0.00 0.00 0.00 53.44 54.45 3a18 n ALA 228 Cb 0.59 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 3a18 n ALA 228 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3a18 h ASP 229 N 0.00 0.53 0.30 0.00 2.03 -2.00 -1.51 116.42 115.76 3a18 h ASP 229 Ca 0.48 -0.33 -0.14 0.00 -0.73 0.00 0.00 57.03 56.31 3a18 h ASP 229 Cb 0.77 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 3a18 h ASP 229 CO -0.98 0.74 -0.55 -0.08 -1.03 0.00 0.00 179.24 177.34 3a18 h GLU 230 N 0.31 0.27 -0.46 4.15 4.81 -1.61 -1.93 114.58 120.13 3a18 h GLU 230 Ca 0.08 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3a18 h GLU 230 Cb 0.48 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3a18 h GLU 230 CO 0.02 0.75 0.30 0.00 -0.73 0.00 0.00 179.01 179.36 3a18 h ARG 231 N 0.21 0.59 -0.69 1.92 3.08 -0.92 -2.06 114.38 116.52 3a18 h ARG 231 Ca 0.00 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3a18 h ARG 231 Cb 1.04 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 3a18 h ARG 231 CO 0.09 0.39 0.45 0.77 -1.07 0.00 0.00 179.97 180.60 3a18 h SER 232 N 0.61 0.78 -0.44 7.04 0.02 -1.01 0.23 113.55 120.79 3a18 h SER 232 Ca 0.17 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3a18 h SER 232 Cb -0.06 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 3a18 h SER 232 CO -0.04 0.56 0.14 -0.07 -1.14 0.00 0.00 176.83 176.28 3a18 h LEU 233 N 0.92 0.13 -0.10 5.07 3.38 -1.07 0.16 115.31 123.81 3a18 h LEU 233 Ca 0.26 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 3a18 h LEU 233 Cb -0.08 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3a18 h LEU 233 CO -0.07 0.10 -0.12 0.22 0.09 0.00 0.00 178.44 178.67 3a18 h TYR 234 N 0.30 0.31 -0.16 1.13 3.20 -1.11 -2.19 116.97 118.45 3a18 h TYR 234 Ca 0.21 -0.10 -0.16 0.00 3.14 0.00 0.00 58.73 61.82 3a18 h TYR 234 Cb 0.22 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3a18 h TYR 234 CO -0.17 0.70 -0.57 -0.07 -1.64 0.00 0.00 178.16 176.41 3a18 h LEU 235 N -0.18 0.56 0.03 2.82 3.38 -0.83 0.37 115.31 121.46 3a18 h LEU 235 Ca 0.01 -0.31 -0.32 0.00 0.09 0.00 0.00 57.88 57.35 3a18 h LEU 235 Cb 0.66 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3a18 h LEU 235 CO 0.03 1.02 -1.84 0.47 0.09 0.00 0.00 178.44 178.20 3a18 n ASP 236 N -3.94 1.17 -0.07 -0.43 8.00 0.56 -4.30 116.55 117.54 3a18 n ASP 236 Ca -0.03 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 3a18 n ASP 236 Cb 0.62 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3a18 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a18 n GLU 237 N -3.14 0.45 -0.11 -1.24 -0.58 -0.84 -4.67 120.64 110.51 3a18 n GLU 237 Ca -0.22 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.39 3a18 n GLU 237 Cb 1.06 -1.27 -0.10 0.00 -0.57 0.00 0.00 31.44 30.56 3a18 n GLU 237 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3a18 n ILE 238 N -2.87 1.52 -0.22 -3.67 5.41 -0.89 -4.45 119.36 114.19 3a18 n ILE 238 Ca -0.24 -0.05 -0.01 0.00 1.00 0.00 0.00 62.75 63.45 3a18 n ILE 238 Cb 0.76 -2.07 0.10 0.00 -0.71 0.00 0.00 39.64 37.72 3a18 n ILE 238 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3a18 h LEU 239 N -1.00 0.48 -1.40 1.39 5.85 -0.49 -1.42 115.31 118.72 3a18 h LEU 239 Ca -0.35 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.44 3a18 h LEU 239 Cb 1.24 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3a18 h LEU 239 CO -0.21 0.30 0.43 -0.65 -0.34 0.00 0.00 178.44 177.97 3a18 h PRO 240 N 0.62 0.76 -0.03 5.25 0.11 -1.80 0.26 132.00 137.17 3a18 h PRO 240 Ca 0.30 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.16 3a18 h PRO 240 Cb 0.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 3a18 h PRO 240 CO -0.21 0.50 -0.87 1.79 -0.21 0.00 0.00 178.00 179.01 3a18 h THR 241 N 0.78 1.40 -0.37 -1.15 1.35 -1.63 -2.37 112.91 110.94 3a18 h THR 241 Ca 0.26 -2.37 -0.02 0.00 -0.55 0.00 0.00 66.41 63.73 3a18 h THR 241 Cb 0.07 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3a18 h THR 241 CO -0.07 0.71 0.14 0.25 -0.25 0.00 0.00 175.52 176.30 3a18 h LEU 242 N 0.23 0.51 -0.77 3.87 5.85 -0.58 -2.01 115.31 122.42 3a18 h LEU 242 Ca -0.06 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3a18 h LEU 242 Cb 1.48 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3a18 h LEU 242 CO 0.15 0.54 0.49 -0.61 -0.34 0.00 0.00 178.44 178.67 3a18 h GLN 243 N 0.45 0.91 -0.22 1.25 5.75 -0.50 -0.88 115.11 121.87 3a18 h GLN 243 Ca 0.12 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3a18 h GLN 243 Cb 0.20 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 3a18 h GLN 243 CO -0.01 0.61 0.10 1.03 -2.65 0.00 0.00 178.83 177.90 3a18 h SER 244 N 0.94 0.14 -0.57 -0.69 0.87 -1.24 0.08 113.55 113.08 3a18 h SER 244 Ca 0.31 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3a18 h SER 244 Cb 0.02 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 3a18 h SER 244 CO -0.12 0.11 0.25 1.23 -0.53 0.00 0.00 176.83 177.78 3a18 h GLY 245 N 0.21 0.95 0.76 5.77 0.00 -1.01 -1.52 103.07 108.23 3a18 h GLY 245 Ca 0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3a18 h GLY 245 CO -0.08 0.45 -0.29 -0.33 0.00 0.00 0.00 176.54 176.29 3a18 h MET 246 N 0.87 0.41 -0.44 4.80 2.07 -0.80 -2.27 114.93 119.57 3a18 h MET 246 Ca 0.21 -0.28 0.08 0.00 -2.07 0.00 0.00 59.70 57.63 3a18 h MET 246 Cb 0.15 0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 29.86 3a18 h MET 246 CO -0.02 0.89 0.07 -0.44 1.07 0.00 0.00 176.91 178.48 3a18 h ASP 247 N -0.00 -0.04 -0.15 1.22 5.19 -0.90 0.64 116.42 122.38 3a18 h ASP 247 Ca -0.00 0.08 0.04 0.00 -0.62 0.00 0.00 57.03 56.53 3a18 h ASP 247 Cb 0.90 0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.49 3a18 h ASP 247 CO 0.06 0.01 -0.14 0.15 -3.12 0.00 0.00 179.24 176.20 3a18 h PHE 248 N 0.19 -0.36 -0.34 4.55 3.57 -1.20 0.08 116.94 123.43 3a18 h PHE 248 Ca 0.22 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 3a18 h PHE 248 Cb 0.29 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 3a18 h PHE 248 CO -0.23 -0.21 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.43 3a18 h LEU 249 N -0.17 0.59 -1.06 0.59 3.38 -1.01 0.31 115.31 117.94 3a18 h LEU 249 Ca 0.10 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3a18 h LEU 249 Cb 0.31 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3a18 h LEU 249 CO -0.25 0.76 -0.12 -0.09 0.09 0.00 0.00 178.44 178.83 3a18 h ARG 250 N 0.55 0.53 -0.00 1.13 2.43 -0.48 -2.97 114.38 115.57 3a18 h ARG 250 Ca 0.09 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a18 h ARG 250 Cb 0.56 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3a18 h ARG 250 CO 0.04 0.64 -0.60 -0.25 -1.51 0.00 0.00 179.97 178.29 3a18 n ASP 251 N -4.20 0.64 -1.77 -3.80 8.00 -0.02 -4.54 116.55 110.86 3a18 n ASP 251 Ca 0.01 -0.82 -0.03 0.00 0.71 0.00 0.00 54.79 54.65 3a18 n ASP 251 Cb 0.33 0.98 0.07 0.00 -0.02 0.00 0.00 41.12 42.48 3a18 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a18 n ASN 252 N -1.27 2.27 0.27 -2.24 3.02 0.11 -4.95 115.26 112.47 3a18 n ASN 252 Ca 0.03 -2.88 -0.16 0.00 -0.03 0.00 0.00 54.58 51.53 3a18 n ASN 252 Cb 0.21 -0.41 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 3a18 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a18 h GLY 253 N 1.71 -1.20 0.14 7.41 0.00 -1.71 -3.09 103.07 106.33 3a18 h GLY 253 Ca -0.01 0.55 0.21 0.00 0.00 0.00 0.00 47.33 48.09 3a18 h GLY 253 CO 0.26 -0.37 0.62 -2.55 0.00 0.00 0.00 176.54 174.51 3a18 h PRO 254 N -0.90 0.51 -0.22 4.80 0.11 -1.90 0.47 132.00 134.86 3a18 h PRO 254 Ca -0.06 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3a18 h PRO 254 Cb 0.77 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3a18 h PRO 254 CO -0.04 0.34 -0.14 0.00 -0.21 0.00 0.00 178.00 177.94 3a18 h ALA 255 N 1.62 1.35 -0.00 -0.75 0.00 -1.91 -3.21 119.26 116.36 3a18 h ALA 255 Ca 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3a18 h ALA 255 Cb 1.17 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3a18 h ALA 255 CO -0.27 0.44 -0.47 1.33 0.00 0.00 0.00 179.25 180.27 3a18 n VAL 256 N -4.22 0.00 -0.32 0.00 0.24 -0.62 -5.00 118.33 108.41 3a18 n VAL 256 Ca -0.00 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 3a18 n VAL 256 Cb 0.31 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 3a18 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a18 n GLY 257 N 1.20 0.90 3.47 7.63 0.00 0.05 -4.76 105.19 113.67 3a18 n GLY 257 Ca 0.03 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 3a18 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a18 h TYR 259 N 8.63 0.94 -2.81 0.00 0.05 -0.98 -3.34 116.97 119.45 3a18 h TYR 259 Ca -0.27 -0.16 -0.15 0.00 0.05 0.00 0.00 58.73 58.19 3a18 h TYR 259 Cb 1.12 -0.24 -0.28 0.00 1.01 0.00 0.00 36.73 38.34 3a18 h TYR 259 CO 0.58 0.89 -0.39 0.45 -1.05 0.00 0.00 178.16 178.63 3a18 s SER 260 N -6.36 -0.36 -0.11 3.88 0.15 -1.09 -4.75 113.70 105.06 3a18 s SER 260 Ca -0.12 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.25 3a18 s SER 260 Cb 0.11 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 65.08 3a18 s SER 260 CO 0.82 -0.19 -0.10 0.21 1.20 0.00 0.00 173.24 175.19 3a18 s ASN 261 N 1.43 2.20 -0.04 5.45 2.47 -1.26 -0.94 114.94 124.26 3a18 s ASN 261 Ca -0.09 -0.34 0.06 0.00 0.42 0.00 0.00 52.86 52.91 3a18 s ASN 261 Cb -0.10 -0.91 -0.01 0.00 -1.45 0.00 0.00 41.25 38.79 3a18 s ASN 261 CO -0.11 -0.08 -0.21 -0.13 -3.72 0.00 0.00 177.10 172.86 3a18 s ARG 262 N 1.45 1.97 -0.32 0.43 0.52 0.01 -4.65 118.95 118.37 3a18 s ARG 262 Ca 0.01 -0.76 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 3a18 s ARG 262 Cb -0.13 -1.77 0.08 0.00 0.52 0.00 0.00 34.95 33.64 3a18 s ARG 262 CO -0.06 0.37 0.01 0.12 0.02 0.00 0.00 175.30 175.76 3a18 s PHE 263 N -0.24 3.48 0.14 -0.53 5.36 -1.26 -0.91 117.98 124.02 3a18 s PHE 263 Ca 0.01 -2.48 0.08 0.00 -0.96 0.00 0.00 56.93 53.58 3a18 s PHE 263 Cb -0.11 -2.48 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 3a18 s PHE 263 CO 0.01 -0.90 -0.11 0.14 -1.46 0.00 0.00 175.22 172.90 3a18 s VAL 264 N 1.07 3.23 -0.08 3.12 -7.23 0.80 -4.77 120.40 116.54 3a18 s VAL 264 Ca 0.01 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 58.75 3a18 s VAL 264 Cb -0.20 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3a18 s VAL 264 CO -0.05 0.02 -0.17 -0.60 -0.31 0.00 0.00 175.10 173.98 3a18 s ARG 265 N -2.46 2.80 0.52 4.82 6.06 -0.39 -0.63 118.95 129.67 3a18 s ARG 265 Ca 0.22 -0.76 -0.21 0.00 -2.50 0.00 0.00 55.73 52.48 3a18 s ARG 265 Cb -0.10 -2.39 -0.05 0.00 0.06 0.00 0.00 34.95 32.47 3a18 s ARG 265 CO 0.14 0.42 1.25 -0.80 -2.50 0.00 0.00 175.30 173.81 3a18 s ASN 266 N -0.21 5.59 0.09 -2.12 -0.87 -0.28 -0.02 114.94 117.12 3a18 s ASN 266 Ca -0.00 2.50 0.02 0.00 -1.57 0.00 0.00 52.86 53.81 3a18 s ASN 266 Cb -0.13 -2.61 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 3a18 s ASN 266 CO 0.03 -1.33 -0.07 0.27 -2.57 0.00 0.00 177.10 173.43 3a18 s ILE 267 N -1.46 0.70 0.82 0.60 -4.36 0.10 -1.00 121.20 116.60 3a18 s ILE 267 Ca 0.70 -1.84 -0.13 0.00 -0.26 0.00 0.00 60.65 59.12 3a18 s ILE 267 Cb -0.33 -1.57 0.19 0.00 1.25 0.00 0.00 42.46 41.99 3a18 s ILE 267 CO 0.39 -0.81 1.11 -0.90 0.24 0.00 0.00 174.94 174.97 3a18 n ASP 268 N 0.13 0.20 0.16 4.36 5.68 -0.24 -4.42 116.55 122.41 3a18 n ASP 268 Ca -0.13 -1.47 0.11 0.00 -0.50 0.00 0.00 54.79 52.80 3a18 n ASP 268 Cb 0.60 -0.84 0.56 0.00 -1.14 0.00 0.00 41.12 40.30 3a18 n ASP 268 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a18 n ILE 269 N -3.48 1.02 0.98 2.12 0.13 -1.26 -2.04 119.36 116.83 3a18 n ILE 269 Ca 0.14 0.65 0.10 0.00 -1.10 0.00 0.00 62.75 62.54 3a18 n ILE 269 Cb 0.50 -1.64 -0.12 0.00 -0.84 0.00 0.00 39.64 37.54 3a18 n ILE 269 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 3a18 n ASP 270 N -2.24 1.00 0.00 9.51 8.00 -1.26 -4.85 116.55 126.70 3a18 n ASP 270 Ca -0.01 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3a18 n ASP 270 Cb 0.06 0.99 0.00 0.00 -0.02 0.00 0.00 41.12 42.16 3a18 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a18 n GLY 271 N 1.49 0.51 3.74 0.44 0.00 -0.87 -5.08 105.19 105.43 3a18 n GLY 271 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3a18 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a18 s ASN 272 N -2.43 7.17 0.37 1.61 0.01 -1.26 -4.77 114.94 115.64 3a18 s ASN 272 Ca 0.00 2.20 -0.27 0.00 -0.71 0.00 0.00 52.86 54.09 3a18 s ASN 272 Cb 0.00 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.96 3a18 s ASN 272 CO 0.00 -0.29 1.21 -0.36 -1.51 0.00 0.00 177.10 176.15 3a18 s PHE 273 N -0.33 3.09 0.27 2.20 0.08 -1.26 -1.08 117.98 120.94 3a18 s PHE 273 Ca 0.50 1.52 0.09 0.00 0.12 0.00 0.00 56.93 59.17 3a18 s PHE 273 Cb -0.32 -3.48 -0.04 0.00 -0.57 0.00 0.00 43.02 38.61 3a18 s PHE 273 CO 0.37 -1.45 0.03 -0.51 -0.10 0.00 0.00 175.22 173.56 3a18 s LEU 274 N -2.21 3.26 -0.57 -0.37 1.43 -0.17 -4.86 118.68 115.18 3a18 s LEU 274 Ca 0.54 -0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 3a18 s LEU 274 Cb -0.34 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3a18 s LEU 274 CO 0.43 -0.03 3.00 0.47 0.23 0.00 0.00 176.35 180.46 3a18 n ASP 275 N -0.94 6.57 -3.94 2.29 8.00 -1.26 -4.44 116.55 122.83 3a18 n ASP 275 Ca -0.06 -2.90 -0.11 0.00 0.71 0.00 0.00 54.79 52.42 3a18 n ASP 275 Cb 0.59 -1.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.22 3a18 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a18 s LEU 276 N -1.25 2.12 0.07 0.64 1.02 -1.26 -1.59 118.68 118.43 3a18 s LEU 276 Ca 0.62 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 54.47 3a18 s LEU 276 Cb 0.31 0.01 -0.02 0.00 0.02 0.00 0.00 46.19 46.51 3a18 s LEU 276 CO -0.12 -0.13 0.07 -0.94 0.02 0.00 0.00 176.35 175.24 3a18 s SER 277 N -0.73 0.33 0.12 2.29 1.04 0.41 -1.13 113.70 116.03 3a18 s SER 277 Ca -0.07 -0.85 -0.17 0.00 0.48 0.00 0.00 55.95 55.34 3a18 s SER 277 Cb -0.05 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.37 3a18 s SER 277 CO -0.00 -0.66 0.42 -0.72 0.98 0.00 0.00 173.24 173.25 3a18 s TYR 278 N -3.90 -0.23 0.07 5.02 1.13 0.19 -0.30 117.35 119.32 3a18 s TYR 278 Ca 0.06 -0.04 -0.26 0.00 -1.41 0.00 0.00 57.07 55.43 3a18 s TYR 278 Cb 0.07 0.27 -0.06 0.00 -1.10 0.00 0.00 41.96 41.14 3a18 s TYR 278 CO -0.10 -0.70 0.79 1.21 -2.51 0.00 0.00 175.55 174.24 3a18 s ASN 279 N -2.71 7.26 -0.25 -0.18 3.04 0.61 -0.14 114.94 122.57 3a18 s ASN 279 Ca 0.02 1.51 -0.00 0.00 0.04 0.00 0.00 52.86 54.43 3a18 s ASN 279 Cb 0.01 -2.49 0.04 0.00 -1.54 0.00 0.00 41.25 37.28 3a18 s ASN 279 CO -0.11 0.03 -0.08 -0.63 -3.04 0.00 0.00 177.10 173.27 3a18 s ILE 280 N -0.17 2.63 -0.09 -5.21 1.01 -0.08 -2.02 121.20 117.27 3a18 s ILE 280 Ca 0.39 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3a18 s ILE 280 Cb -0.21 -2.39 0.02 0.00 0.01 0.00 0.00 42.46 39.89 3a18 s ILE 280 CO 0.24 0.13 -0.06 -0.83 0.00 0.00 0.00 174.94 174.41 3a18 s GLY 281 N 1.25 0.69 -0.19 6.18 0.00 -0.17 -0.81 107.32 114.28 3a18 s GLY 281 Ca -0.03 -0.36 -0.08 0.00 0.00 0.00 0.00 44.72 44.26 3a18 s GLY 281 CO -0.05 0.68 0.07 0.30 0.00 0.00 0.00 173.10 174.10 3a18 s HIS 282 N 1.44 3.25 0.10 1.90 3.76 -0.11 -0.62 115.29 125.00 3a18 s HIS 282 Ca -0.01 0.07 0.08 0.00 -0.15 0.00 0.00 55.06 55.04 3a18 s HIS 282 Cb -0.13 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3a18 s HIS 282 CO -0.04 0.14 -0.21 -1.58 -0.85 0.00 0.00 174.74 172.20 3a18 s TRP 283 N 0.43 1.76 0.24 1.40 0.52 0.83 -0.36 118.94 123.76 3a18 s TRP 283 Ca 0.03 -0.42 0.22 0.00 0.02 0.00 0.00 56.10 55.96 3a18 s TRP 283 Cb -0.12 -0.97 0.97 0.00 -1.15 0.00 0.00 33.47 32.20 3a18 s TRP 283 CO 0.00 0.20 1.86 0.00 0.02 0.00 0.00 176.95 179.04 3a18 h ALA 284 N 4.09 1.11 -2.66 0.98 0.00 -1.10 -1.69 119.26 119.99 3a18 h ALA 284 Ca -0.46 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 3a18 h ALA 284 Cb 1.18 -0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.78 3a18 h ALA 284 CO 0.40 0.32 0.06 -1.54 0.00 0.00 0.00 179.25 178.48 3a18 s SER 285 N -6.32 -0.43 0.24 0.00 1.04 -1.26 -4.53 113.70 102.44 3a18 s SER 285 Ca -0.01 0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.39 3a18 s SER 285 Cb 0.12 0.51 0.22 0.00 0.10 0.00 0.00 66.02 66.97 3a18 s SER 285 CO 0.64 -0.81 1.89 0.25 0.98 0.00 0.00 173.24 176.20 3a18 h LEU 286 N 2.51 1.10 -1.25 2.42 5.85 -1.82 -2.97 115.31 121.16 3a18 h LEU 286 Ca -0.32 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 3a18 h LEU 286 Cb 1.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 3a18 h LEU 286 CO 0.42 0.84 -0.34 -2.24 -0.34 0.00 0.00 178.44 176.78 3a18 h ASP 287 N 1.27 0.06 -0.61 1.25 2.03 -1.94 -0.08 116.42 118.40 3a18 h ASP 287 Ca 0.33 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.53 3a18 h ASP 287 Cb -0.07 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 3a18 h ASP 287 CO -0.06 0.40 0.06 1.56 -1.03 0.00 0.00 179.24 180.16 3a18 h GLN 288 N 0.06 1.04 -0.17 4.15 4.20 -1.86 -0.35 115.11 122.18 3a18 h GLN 288 Ca 0.01 -0.30 0.01 0.00 0.06 0.00 0.00 58.65 58.42 3a18 h GLN 288 Cb 0.63 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3a18 h GLN 288 CO 0.05 0.99 0.09 1.25 -0.67 0.00 0.00 178.83 180.54 3a18 h LEU 289 N 0.94 0.15 -0.41 1.46 5.85 -1.29 -1.79 115.31 120.21 3a18 h LEU 289 Ca 0.18 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3a18 h LEU 289 Cb 0.49 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.40 3a18 h LEU 289 CO 0.02 0.11 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.70 3a18 h GLU 290 N 0.19 -0.12 -0.17 1.25 5.08 -0.78 -1.60 114.58 118.43 3a18 h GLU 290 Ca 0.07 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3a18 h GLU 290 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3a18 h GLU 290 CO -0.04 -0.08 0.03 0.00 -1.00 0.00 0.00 179.01 177.92 3a18 h ARG 291 N -0.13 0.10 0.03 2.33 2.47 -0.83 -1.68 114.38 116.66 3a18 h ARG 291 Ca 0.20 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.92 3a18 h ARG 291 Cb 0.44 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3a18 h ARG 291 CO -0.49 0.06 -0.06 2.35 0.56 0.00 0.00 179.97 182.39 3a18 h TRP 292 N 0.10 -0.14 -1.01 3.04 7.01 -1.11 -2.47 115.95 121.37 3a18 h TRP 292 Ca 0.08 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.12 3a18 h TRP 292 Cb 0.07 0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.13 3a18 h TRP 292 CO -0.14 -0.09 0.66 0.66 -2.79 0.00 0.00 178.44 176.74 3a18 h SER 293 N -0.11 1.09 0.09 2.65 4.64 -1.02 -0.13 113.55 120.76 3a18 h SER 293 Ca 0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3a18 h SER 293 Cb 0.13 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3a18 h SER 293 CO -0.04 0.74 -0.15 -1.84 -0.87 0.00 0.00 176.83 174.67 3a18 n GLU 294 N -4.45 1.33 0.00 4.77 0.28 -0.66 -4.33 120.64 117.58 3a18 n GLU 294 Ca 0.14 -0.84 0.00 0.00 -0.16 0.00 0.00 57.16 56.30 3a18 n GLU 294 Cb 0.11 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.50 3a18 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a18 n SER 295 N -0.10 2.11 -4.73 -1.84 3.41 -0.94 -4.99 113.62 106.55 3a18 n SER 295 Ca 0.15 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.34 3a18 n SER 295 Cb 0.38 0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.53 3a18 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a18 s HIS 296 N -1.38 3.31 0.24 7.33 2.46 -0.08 -4.91 115.29 122.26 3a18 s HIS 296 Ca 0.00 1.18 -0.08 0.00 0.47 0.00 0.00 55.06 56.63 3a18 s HIS 296 Cb 0.00 -3.57 0.40 0.00 -0.13 0.00 0.00 32.58 29.28 3a18 s HIS 296 CO 0.00 -1.84 1.63 -1.35 -2.47 0.00 0.00 174.74 170.71 3a18 h PRO 297 N 6.04 0.06 0.03 2.88 0.11 -1.96 -0.44 132.00 138.73 3a18 h PRO 297 Ca -0.43 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3a18 h PRO 297 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3a18 h PRO 297 CO 0.80 0.04 -0.01 1.79 -0.21 0.00 0.00 178.00 180.41 3a18 h THR 298 N 0.07 0.97 -0.33 -1.15 1.35 -1.91 0.56 112.91 112.46 3a18 h THR 298 Ca 0.40 -0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.11 3a18 h THR 298 Cb 0.67 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.06 3a18 h THR 298 CO -0.69 0.00 -0.35 -0.74 -0.25 0.00 0.00 175.52 173.49 3a18 h HIS 299 N -0.04 0.89 -0.37 4.73 -0.00 -1.80 -2.54 115.15 116.02 3a18 h HIS 299 Ca -0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3a18 h HIS 299 Cb 0.03 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 3a18 h HIS 299 CO -0.08 1.00 0.23 -0.07 -0.00 0.00 0.00 177.93 179.01 3a18 h LEU 300 N 0.63 0.43 0.79 0.26 3.38 -0.75 -0.07 115.31 119.98 3a18 h LEU 300 Ca 0.06 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3a18 h LEU 300 Cb 0.89 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3a18 h LEU 300 CO 0.08 0.32 -0.38 0.03 0.09 0.00 0.00 178.44 178.58 3a18 h ARG 301 N 0.50 -1.02 0.00 1.13 3.08 0.51 -2.96 114.38 115.62 3a18 h ARG 301 Ca 0.13 0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.16 3a18 h ARG 301 Cb -0.03 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3a18 h ARG 301 CO -0.03 -0.68 -0.46 -0.84 -1.07 0.00 0.00 179.97 176.89 3a18 h ILE 302 N -1.07 1.33 -0.45 2.04 3.07 -1.34 -3.05 117.51 118.05 3a18 h ILE 302 Ca -0.11 -1.59 0.05 0.00 1.55 0.00 0.00 64.86 64.76 3a18 h ILE 302 Cb 0.82 1.86 -0.05 0.00 -0.27 0.00 0.00 36.82 39.18 3a18 h ILE 302 CO 0.18 0.46 0.17 0.15 -1.05 0.00 0.00 178.15 178.05 3a18 h PHE 303 N 0.00 0.31 -0.15 0.16 3.57 -1.03 -1.80 116.94 117.99 3a18 h PHE 303 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 3a18 h PHE 303 Cb 0.82 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3a18 h PHE 303 CO 0.00 0.12 -0.53 1.79 -2.23 0.00 0.00 178.31 177.46 3a18 h THR 304 N 0.35 1.34 -0.49 4.41 1.35 -1.42 -2.86 112.91 115.59 3a18 h THR 304 Ca 0.21 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 3a18 h THR 304 Cb 0.19 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3a18 h THR 304 CO -0.20 0.55 0.31 0.74 -0.25 0.00 0.00 175.52 176.66 3a18 h THR 305 N 0.34 1.14 -0.29 6.82 2.02 -1.35 -1.41 112.91 120.18 3a18 h THR 305 Ca 0.01 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3a18 h THR 305 Cb 1.04 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3a18 h THR 305 CO 0.09 0.14 0.16 0.15 0.37 0.00 0.00 175.52 176.43 3a18 h PHE 306 N 0.66 0.30 -0.87 3.16 3.57 -1.24 -1.06 116.94 121.46 3a18 h PHE 306 Ca 0.18 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.82 3a18 h PHE 306 Cb -0.05 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 3a18 h PHE 306 CO -0.04 0.18 0.56 0.74 -2.23 0.00 0.00 178.31 177.52 3a18 h PHE 307 N 0.34 0.80 -0.26 0.41 -1.00 -1.24 0.45 116.94 116.44 3a18 h PHE 307 Ca 0.11 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.81 3a18 h PHE 307 Cb 0.01 -0.25 -0.00 0.00 3.61 0.00 0.00 35.95 39.31 3a18 h PHE 307 CO -0.08 0.31 -0.27 -0.09 -1.61 0.00 0.00 178.31 176.57 3a18 h ARG 308 N 0.69 0.64 0.00 1.51 1.12 -0.37 -3.31 114.38 114.66 3a18 h ARG 308 Ca 0.43 -0.34 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 3a18 h ARG 308 Cb 0.66 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.64 3a18 h ARG 308 CO -0.19 0.95 -1.00 1.33 -3.11 0.00 0.00 179.97 177.95 3a18 n VAL 309 N -4.31 0.24 -0.42 0.20 0.24 -0.49 -4.36 118.33 109.44 3a18 n VAL 309 Ca -0.04 -0.29 0.35 0.00 -2.04 0.00 0.00 64.34 62.31 3a18 n VAL 309 Cb 0.46 0.08 0.63 0.00 -1.47 0.00 0.00 33.84 33.53 3a18 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a18 h ALA 310 N 2.45 2.63 -0.20 2.33 0.00 -0.22 0.11 119.26 126.36 3a18 h ALA 310 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3a18 h ALA 310 Cb 0.77 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3a18 h ALA 310 CO 0.00 -1.24 0.02 0.00 0.00 0.00 0.00 179.25 178.03 3a18 h ALA 311 N 1.63 0.26 -0.01 0.00 0.00 -1.82 -3.31 119.26 116.02 3a18 h ALA 311 Ca 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3a18 h ALA 311 Cb 2.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.13 3a18 h ALA 311 CO -0.43 -0.05 -0.51 0.41 0.00 0.00 0.00 179.25 178.68 3a18 n GLY 312 N -0.39 -0.16 3.66 0.00 0.00 -0.24 -4.99 105.19 103.07 3a18 n GLY 312 Ca -0.04 -0.54 -0.46 0.00 0.00 0.00 0.00 46.02 44.97 3a18 n GLY 312 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a18 n LEU 313 N -0.38 2.90 0.00 0.99 7.94 0.20 -4.88 117.00 123.76 3a18 n LEU 313 Ca 0.07 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 3a18 n LEU 313 Cb 0.37 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.93 3a18 n LEU 313 CO 0.27 -0.44 -0.29 -1.54 -1.11 0.00 0.00 177.39 174.27 3a18 n SER 314 N 3.00 1.31 -0.01 1.96 3.41 -1.26 -4.93 113.62 117.10 3a18 n SER 314 Ca 0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.80 3a18 n SER 314 Cb 0.28 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.16 3a18 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a18 n LYS 315 N -2.40 0.79 -2.04 4.33 4.76 -1.26 -4.98 118.16 117.36 3a18 n LYS 315 Ca 0.00 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 3a18 n LYS 315 Cb 0.29 -1.23 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 3a18 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a18 s LEU 316 N -3.88 4.38 -0.28 -0.35 2.96 -1.26 -4.42 118.68 115.81 3a18 s LEU 316 Ca -0.04 2.53 -0.03 0.00 -0.22 0.00 0.00 54.13 56.37 3a18 s LEU 316 Cb 0.05 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3a18 s LEU 316 CO 0.39 -0.73 -0.00 -0.13 -1.32 0.00 0.00 176.35 174.56 3a18 s ARG 317 N 0.76 2.73 -0.04 1.98 0.52 0.06 -4.99 118.95 119.97 3a18 s ARG 317 Ca 0.66 -1.07 0.06 0.00 -0.52 0.00 0.00 55.73 54.85 3a18 s ARG 317 Cb -0.41 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 31.88 3a18 s ARG 317 CO 0.34 -0.50 -0.20 -0.51 0.02 0.00 0.00 175.30 174.44 3a18 s LEU 318 N 1.34 2.41 0.24 2.53 1.43 -1.26 -0.67 118.68 124.70 3a18 s LEU 318 Ca -0.01 -0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.54 3a18 s LEU 318 Cb -0.18 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.63 3a18 s LEU 318 CO -0.01 0.33 0.68 -0.72 0.23 0.00 0.00 176.35 176.86 3a18 s TYR 319 N -0.67 -0.31 0.14 0.29 1.13 -1.06 -1.20 117.35 115.67 3a18 s TYR 319 Ca 0.11 -0.06 -0.10 0.00 -1.41 0.00 0.00 57.07 55.61 3a18 s TYR 319 Cb -0.10 0.66 0.00 0.00 -1.10 0.00 0.00 41.96 41.41 3a18 s TYR 319 CO -0.00 -1.10 0.29 -3.38 -2.51 0.00 0.00 175.55 168.84 3a18 s HIS 320 N -3.86 0.23 -0.01 -3.49 -3.43 -0.27 -0.59 115.29 103.87 3a18 s HIS 320 Ca 0.07 -0.61 0.04 0.00 -0.80 0.00 0.00 55.06 53.76 3a18 s HIS 320 Cb -0.04 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 3a18 s HIS 320 CO -0.00 -0.68 -0.12 -1.83 -2.00 0.00 0.00 174.74 170.11 3a18 s GLU 321 N -3.91 0.99 -0.04 -0.38 -1.05 -0.19 -1.23 118.70 112.89 3a18 s GLU 321 Ca 0.12 -0.43 0.02 0.00 -0.15 0.00 0.00 54.97 54.52 3a18 s GLU 321 Cb 0.03 -0.96 0.01 0.00 -0.44 0.00 0.00 34.13 32.78 3a18 s GLU 321 CO -0.04 0.26 -0.07 0.08 0.95 0.00 0.00 175.26 176.43 3a18 s VAL 322 N -0.26 0.69 0.15 1.83 1.01 -0.51 -0.98 120.40 122.33 3a18 s VAL 322 Ca 0.04 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 61.86 3a18 s VAL 322 Cb -0.05 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3a18 s VAL 322 CO -0.00 0.24 -0.22 -0.44 0.00 0.00 0.00 175.10 174.68 3a18 s SER 323 N 0.57 2.97 0.19 3.32 0.01 0.19 -1.23 113.70 119.72 3a18 s SER 323 Ca -0.09 -0.80 0.09 0.00 1.31 0.00 0.00 55.95 56.46 3a18 s SER 323 Cb -0.12 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 3a18 s SER 323 CO 0.01 0.07 -0.19 0.68 0.41 0.00 0.00 173.24 174.22 3a18 s VAL 324 N -1.57 1.95 -0.00 3.43 -7.23 -0.20 -0.89 120.40 115.87 3a18 s VAL 324 Ca 0.15 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3a18 s VAL 324 Cb -0.08 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.90 3a18 s VAL 324 CO 0.07 -0.34 -0.06 -0.36 -0.31 0.00 0.00 175.10 174.11 3a18 s PHE 325 N -2.17 0.50 0.59 2.82 0.08 -1.01 -4.63 117.98 114.16 3a18 s PHE 325 Ca 0.19 -0.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.96 3a18 s PHE 325 Cb -0.05 -0.33 -0.06 0.00 -0.57 0.00 0.00 43.02 42.01 3a18 s PHE 325 CO 0.08 -0.01 0.83 -0.25 -0.10 0.00 0.00 175.22 175.77 3a18 n ASP 326 N 2.95 0.23 -0.27 1.36 9.92 -1.26 -0.38 116.55 129.11 3a18 n ASP 326 Ca -0.13 0.79 0.08 0.00 -0.53 0.00 0.00 54.79 55.00 3a18 n ASP 326 Cb 0.58 -1.32 0.23 0.00 -0.64 0.00 0.00 41.12 39.96 3a18 n ASP 326 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a18 h ALA 327 N 0.44 1.13 0.00 2.24 0.00 -1.88 -2.06 119.26 119.13 3a18 h ALA 327 Ca -0.47 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3a18 h ALA 327 Cb 1.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3a18 h ALA 327 CO 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3a18 h ALA 328 N 1.65 1.00 -0.66 0.00 0.00 -1.90 -3.33 119.26 116.02 3a18 h ALA 328 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.96 3a18 h ALA 328 Cb 0.83 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.42 3a18 h ALA 328 CO -0.52 0.00 0.54 -0.25 0.00 0.00 0.00 179.25 179.02 3a18 n ASP 329 N -3.01 5.93 -3.77 0.00 8.00 -0.77 -4.86 116.55 118.07 3a18 n ASP 329 Ca 0.02 -3.24 -0.13 0.00 0.71 0.00 0.00 54.79 52.15 3a18 n ASP 329 Cb 0.37 -0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 3a18 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a18 s GLN 330 N -2.42 0.56 -0.21 -1.24 -0.21 -1.25 -1.25 119.66 113.65 3a18 s GLN 330 Ca 0.41 -0.01 -0.10 0.00 0.02 0.00 0.00 55.36 55.68 3a18 s GLN 330 Cb 0.33 0.25 0.08 0.00 1.00 0.00 0.00 33.01 34.67 3a18 s GLN 330 CO 0.02 -0.13 0.49 -1.17 -2.12 0.00 0.00 175.29 172.37 3a18 s LEU 331 N -0.87 -0.48 -0.26 2.90 2.96 0.09 -4.55 118.68 118.48 3a18 s LEU 331 Ca -0.09 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 54.93 3a18 s LEU 331 Cb -0.05 1.63 0.06 0.00 0.50 0.00 0.00 46.19 48.33 3a18 s LEU 331 CO 0.03 -0.21 -0.09 -0.31 -1.32 0.00 0.00 176.35 174.45 3a18 s TYR 332 N 1.86 3.08 -0.04 5.38 2.02 -0.67 -1.07 117.35 127.91 3a18 s TYR 332 Ca -0.07 -2.23 0.05 0.00 -0.37 0.00 0.00 57.07 54.45 3a18 s TYR 332 Cb -0.09 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3a18 s TYR 332 CO -0.15 -0.86 -0.18 -1.21 -1.57 0.00 0.00 175.55 171.58 3a18 s GLU 333 N 1.16 2.36 -0.01 -0.62 2.02 0.10 -0.40 118.70 123.31 3a18 s GLU 333 Ca -0.07 -0.78 0.01 0.00 0.02 0.00 0.00 54.97 54.15 3a18 s GLU 333 Cb -0.20 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.78 3a18 s GLU 333 CO -0.06 0.60 -0.02 0.71 0.02 0.00 0.00 175.26 176.52 3a18 s TYR 334 N -0.71 0.30 -0.19 1.61 1.51 -0.19 -0.70 117.35 118.98 3a18 s TYR 334 Ca 0.11 -0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3a18 s TYR 334 Cb -0.10 -0.28 0.04 0.00 -0.11 0.00 0.00 41.96 41.50 3a18 s TYR 334 CO 0.00 -0.06 -0.09 0.42 -1.11 0.00 0.00 175.55 174.71 3a18 s ILE 335 N 0.41 1.47 -1.55 2.71 1.01 0.67 -0.69 121.20 125.23 3a18 s ILE 335 Ca -0.04 -0.87 -0.14 0.00 0.00 0.00 0.00 60.65 59.59 3a18 s ILE 335 Cb -0.07 -1.57 0.09 0.00 0.01 0.00 0.00 42.46 40.92 3a18 s ILE 335 CO -0.01 0.17 0.95 0.59 0.00 0.00 0.00 174.94 176.64 3a18 n ASN 336 N 4.75 -4.69 -4.90 3.58 3.02 -0.33 -0.67 115.26 116.00 3a18 n ASN 336 Ca -0.14 -0.78 -0.29 0.00 -0.03 0.00 0.00 54.58 53.33 3a18 n ASN 336 Cb 0.47 -3.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.85 3a18 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a18 s HIS 338 N -1.90 2.38 -1.81 0.00 -3.43 -1.26 -4.78 115.29 104.49 3a18 s HIS 338 Ca 0.42 1.46 0.09 0.00 -0.80 0.00 0.00 55.06 56.23 3a18 s HIS 338 Cb -0.11 -3.61 0.48 0.00 -1.43 0.00 0.00 32.58 27.91 3a18 s HIS 338 CO 0.27 -2.45 1.02 -2.30 -2.00 0.00 0.00 174.74 169.29 3a18 n PRO 339 N -1.26 0.22 -0.07 -0.38 -0.02 -1.26 -1.63 135.00 130.59 3a18 n PRO 339 Ca 0.12 0.07 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3a18 n PRO 339 Cb 0.47 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.60 3a18 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a18 n GLY 340 N -0.50 1.28 3.69 -1.23 0.00 -1.26 -3.25 105.19 103.91 3a18 n GLY 340 Ca 0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3a18 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a18 s THR 341 N -1.79 4.10 0.00 2.61 2.01 -0.65 -4.39 115.64 117.54 3a18 s THR 341 Ca 0.32 1.45 0.00 0.00 0.31 0.00 0.00 61.69 63.77 3a18 s THR 341 Cb 0.21 -3.93 0.00 0.00 0.01 0.00 0.00 72.50 68.79 3a18 s THR 341 CO 0.30 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 3a18 n GLY 342 N 3.44 2.71 0.11 4.40 0.00 -1.26 -1.03 105.19 113.57 3a18 n GLY 342 Ca 0.12 0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.44 3a18 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a18 n MET 343 N 14.00 0.18 0.10 1.61 2.81 -1.26 -3.34 117.12 131.21 3a18 n MET 343 Ca 0.00 0.39 0.02 0.00 -1.81 0.00 0.00 57.70 56.30 3a18 n MET 343 Cb 0.00 -1.82 0.38 0.00 -0.71 0.00 0.00 33.22 31.06 3a18 n MET 343 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a18 h LEU 344 N 0.00 0.26 -0.43 4.03 3.38 -1.36 -2.93 115.31 118.27 3a18 h LEU 344 Ca 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3a18 h LEU 344 Cb 0.38 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3a18 h LEU 344 CO 0.00 0.41 0.21 -0.09 0.09 0.00 0.00 178.44 179.06 3a18 h ARG 345 N 0.27 0.62 -0.01 1.13 2.43 -1.55 -3.30 114.38 113.96 3a18 h ARG 345 Ca 0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3a18 h ARG 345 Cb 0.37 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3a18 h ARG 345 CO 0.02 0.53 -0.25 -0.25 -1.51 0.00 0.00 179.97 178.51 3a18 n ASP 346 N -4.67 1.46 -4.76 -3.80 8.00 -1.23 -5.00 116.55 106.54 3a18 n ASP 346 Ca 0.01 -1.23 -0.41 0.00 0.71 0.00 0.00 54.79 53.87 3a18 n ASP 346 Cb 0.11 0.43 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 3a18 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a18 s ALA 347 N -1.57 3.55 -0.00 2.24 0.00 -1.11 -4.89 121.76 119.99 3a18 s ALA 347 Ca 0.11 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 3a18 s ALA 347 Cb 0.10 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3a18 s ALA 347 CO 0.31 -0.72 1.25 0.14 0.00 0.00 0.00 175.76 176.74 3a18 s VAL 348 N -0.70 4.04 0.73 0.00 -7.23 0.13 -4.77 120.40 112.60 3a18 s VAL 348 Ca 0.53 1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 62.01 3a18 s VAL 348 Cb -0.41 -3.91 0.03 0.00 0.56 0.00 0.00 36.38 32.65 3a18 s VAL 348 CO 0.50 0.04 1.07 0.42 -0.31 0.00 0.00 175.10 176.82 3a18 s THR 349 N 1.87 3.68 0.33 5.32 -4.23 -1.26 -0.78 115.64 120.58 3a18 s THR 349 Ca 0.59 0.55 0.01 0.00 -1.18 0.00 0.00 61.69 61.65 3a18 s THR 349 Cb -0.28 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.58 3a18 s THR 349 CO 0.25 -0.71 1.99 0.40 -0.54 0.00 0.00 174.62 176.01 3a18 h ILE 350 N -0.88 1.16 -0.11 2.99 2.04 -1.88 -1.77 117.51 119.07 3a18 h ILE 350 Ca -0.45 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 3a18 h ILE 350 Cb 1.23 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3a18 h ILE 350 CO 0.57 0.17 0.02 0.00 0.00 0.00 0.00 178.15 178.91 3a18 n ALA 351 N -2.43 2.78 -0.21 1.87 0.00 -1.26 -5.15 120.51 116.10 3a18 n ALA 351 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3a18 n ALA 351 Cb 0.06 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3a18 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89