#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 3.63 0.24 0.03 2.02 -1.22 -4.80 118.70 118.61 3a18 s GLU 2 Ca 0.00 2.09 -0.12 0.00 0.02 0.00 0.00 54.97 56.97 3a18 s GLU 2 Cb 0.00 -2.49 -0.08 0.00 0.10 0.00 0.00 34.13 31.66 3a18 s GLU 2 CO 0.00 -0.75 0.60 0.45 0.02 0.00 0.00 175.26 175.57 3a18 s SER 3 N -0.96 6.69 0.53 -0.19 0.15 -1.26 -1.65 113.70 117.00 3a18 s SER 3 Ca 0.64 1.03 0.31 0.00 0.70 0.00 0.00 55.95 58.62 3a18 s SER 3 Cb -0.37 -2.27 1.42 0.00 -1.71 0.00 0.00 66.02 63.09 3a18 s SER 3 CO 0.45 -0.09 2.02 0.00 1.20 0.00 0.00 173.24 176.83 3a18 h ALA 4 N 2.59 1.09 -2.34 5.45 0.00 -1.93 -3.42 119.26 120.70 3a18 h ALA 4 Ca -0.47 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.77 3a18 h ALA 4 Cb 1.17 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3a18 h ALA 4 CO 0.68 0.12 0.44 0.42 0.00 0.00 0.00 179.25 180.91 3a18 s ILE 5 N -3.89 4.85 0.32 0.00 1.01 -1.26 -4.98 121.20 117.25 3a18 s ILE 5 Ca -0.01 1.70 -0.28 0.00 0.00 0.00 0.00 60.65 62.07 3a18 s ILE 5 Cb 0.11 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.28 3a18 s ILE 5 CO 0.56 0.00 1.10 0.61 0.00 0.00 0.00 174.94 177.21 3a18 n GLY 6 N 3.43 0.02 0.32 6.18 0.00 -1.26 -4.80 105.19 109.07 3a18 n GLY 6 Ca 0.05 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.42 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 2.11 0.79 0.00 1.61 4.81 -1.93 0.37 114.58 122.34 3a18 h GLU 7 Ca -0.42 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3a18 h GLU 7 Cb 1.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3a18 h GLU 7 CO 0.61 0.52 0.00 -2.39 -0.73 0.00 0.00 179.01 177.02 3a18 n HIS 8 N -4.73 0.56 0.99 0.92 1.44 -1.26 -2.43 115.22 110.70 3a18 n HIS 8 Ca 0.16 0.21 0.11 0.00 -2.01 0.00 0.00 57.72 56.18 3a18 n HIS 8 Cb 0.33 -0.83 -0.02 0.00 0.12 0.00 0.00 29.99 29.59 3a18 n HIS 8 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3a18 n LEU 9 N -1.99 1.89 -4.76 2.39 4.77 0.09 -4.95 117.00 114.44 3a18 n LEU 9 Ca 0.03 -0.72 -0.41 0.00 -0.03 0.00 0.00 56.01 54.88 3a18 n LEU 9 Cb 0.25 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3a18 n LEU 9 CO 0.20 0.36 0.85 -1.10 -1.33 0.00 0.00 177.39 176.37 3a18 s GLN 10 N -2.54 4.55 0.20 3.23 -0.21 -1.02 -4.96 119.66 118.92 3a18 s GLN 10 Ca 0.17 1.91 -0.14 0.00 0.02 0.00 0.00 55.36 57.32 3a18 s GLN 10 Cb 0.18 -3.17 0.01 0.00 1.00 0.00 0.00 33.01 31.02 3a18 s GLN 10 CO 0.61 0.07 0.45 0.00 -2.12 0.00 0.00 175.29 174.30 3a18 n PRO 12 N -0.32 2.05 -3.38 0.00 -0.02 -1.26 -4.95 135.00 127.11 3a18 n PRO 12 Ca -0.07 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 3a18 n PRO 12 Cb 0.62 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.21 4.08 -0.01 -0.52 0.52 -1.26 -4.84 118.95 115.71 3a18 s ARG 13 Ca 0.61 0.57 0.10 0.00 -0.52 0.00 0.00 55.73 56.50 3a18 s ARG 13 Cb -0.61 -3.24 -0.16 0.00 0.52 0.00 0.00 34.95 31.46 3a18 s ARG 13 CO 0.56 0.64 0.22 0.25 0.02 0.00 0.00 175.30 176.99 3a18 n THR 14 N 1.88 0.00 -5.15 0.02 -2.24 -0.53 -4.99 114.28 103.27 3a18 n THR 14 Ca -0.12 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3a18 n THR 14 Cb 0.52 0.27 -0.16 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.69 2.04 0.34 3.22 1.43 -0.65 -4.99 118.68 116.38 3a18 s LEU 15 Ca -0.04 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3a18 s LEU 15 Cb 0.06 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 3a18 s LEU 15 CO 0.42 0.28 0.05 0.42 0.23 0.00 0.00 176.35 177.75 3a18 s THR 16 N -0.54 2.79 0.91 5.49 -4.23 -1.26 -4.61 115.64 114.19 3a18 s THR 16 Ca 0.09 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 3a18 s THR 16 Cb -0.09 -2.85 0.14 0.00 1.34 0.00 0.00 72.50 71.04 3a18 s THR 16 CO -0.01 -0.21 1.11 -0.13 -0.54 0.00 0.00 174.62 174.85 3a18 s ARG 17 N -3.75 1.15 0.00 3.99 0.52 -1.26 -5.01 118.95 114.59 3a18 s ARG 17 Ca 0.35 0.45 0.21 0.00 -0.52 0.00 0.00 55.73 56.23 3a18 s ARG 17 Cb -0.01 -1.83 0.33 0.00 0.52 0.00 0.00 34.95 33.96 3a18 s ARG 17 CO 0.20 -2.23 1.30 2.89 0.02 0.00 0.00 175.30 177.48 3a18 n ARG 18 N -3.82 2.27 -4.84 3.54 1.85 -1.26 -4.93 116.66 109.48 3a18 n ARG 18 Ca 0.06 -2.08 -0.29 0.00 -1.00 0.00 0.00 57.85 54.55 3a18 n ARG 18 Cb 0.58 -1.45 -0.15 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 -1.49 2.04 0.99 8.89 -7.23 -1.26 -5.14 120.40 117.20 3a18 s VAL 19 Ca 0.32 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 3a18 s VAL 19 Cb 0.20 -1.76 0.18 0.00 0.56 0.00 0.00 36.38 35.57 3a18 s VAL 19 CO 0.28 0.32 1.08 -2.16 -0.31 0.00 0.00 175.10 174.32 3a18 s PRO 20 N -1.25 0.48 0.55 4.82 0.04 -1.26 -4.93 135.00 133.44 3a18 s PRO 20 Ca 0.11 0.96 0.32 0.00 0.04 0.00 0.00 61.00 62.43 3a18 s PRO 20 Cb -0.10 -1.71 1.51 0.00 0.04 0.00 0.00 34.50 34.25 3a18 s PRO 20 CO 0.02 -2.81 2.05 -0.44 0.04 0.00 0.00 177.00 175.86 3a18 h ASP 21 N -1.97 0.00 0.50 6.66 5.19 -2.01 -2.34 116.42 122.45 3a18 h ASP 21 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 3a18 h ASP 21 Cb 1.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.81 3a18 h ASP 21 CO 0.51 0.07 0.00 0.35 -3.12 0.00 0.00 179.24 177.05 3a18 n THR 22 N -3.29 1.03 -1.64 0.35 -2.24 -1.26 -4.85 114.28 102.38 3a18 n THR 22 Ca -0.01 0.26 -0.50 0.00 -2.27 0.00 0.00 64.05 61.54 3a18 n THR 22 Cb 0.26 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.59 1.89 -4.15 4.78 9.36 -0.88 -5.00 117.16 121.57 3a18 n TYR 23 Ca 0.03 0.45 -0.26 0.00 3.32 0.00 0.00 57.90 61.44 3a18 n TYR 23 Cb 0.17 -2.44 -0.17 0.00 -0.63 0.00 0.00 39.34 36.27 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 1.13 1.04 0.61 2.97 2.01 -1.26 -5.04 115.64 117.10 3a18 s THR 24 Ca 0.84 -0.34 -0.18 0.00 0.31 0.00 0.00 61.69 62.32 3a18 s THR 24 Cb -0.85 -1.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.62 3a18 s THR 24 CO 0.45 0.36 1.20 -2.16 -0.69 0.00 0.00 174.62 173.78 3a18 s PRO 25 N 1.32 2.89 0.00 4.92 0.04 -1.26 -4.95 135.00 137.95 3a18 s PRO 25 Ca -0.02 1.79 0.29 0.00 0.04 0.00 0.00 61.00 63.09 3a18 s PRO 25 Cb -0.14 -1.92 1.22 0.00 0.04 0.00 0.00 34.50 33.70 3a18 s PRO 25 CO -0.04 -1.26 1.85 -0.35 0.04 0.00 0.00 177.00 177.24 3a18 n PRO 26 N -1.74 0.92 -3.57 0.56 -0.04 -1.26 -4.86 135.00 125.00 3a18 n PRO 26 Ca 0.13 -0.36 -0.15 0.00 -0.04 0.00 0.00 63.50 63.08 3a18 n PRO 26 Cb 0.50 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.33 -0.48 0.31 0.54 -0.12 -1.26 -5.16 117.98 109.47 3a18 s PHE 27 Ca 0.32 0.66 -0.28 0.00 -0.05 0.00 0.00 56.93 57.58 3a18 s PHE 27 Cb 0.20 0.35 -0.09 0.00 -0.63 0.00 0.00 43.02 42.84 3a18 s PHE 27 CO 0.44 -0.61 1.11 -1.25 -0.05 0.00 0.00 175.22 174.87 3a18 s PRO 28 N -1.96 4.53 0.06 1.99 0.04 -1.26 -5.02 135.00 133.37 3a18 s PRO 28 Ca -0.08 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 3a18 s PRO 28 Cb -0.01 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 3a18 s PRO 28 CO 0.02 0.11 0.01 -1.64 0.04 0.00 0.00 177.00 175.54 3a18 s MET 29 N -1.65 0.65 0.17 4.56 -1.94 -1.26 -4.87 119.30 114.96 3a18 s MET 29 Ca 0.47 -1.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.30 3a18 s MET 29 Cb -0.31 0.23 -0.05 0.00 2.01 0.00 0.00 34.83 36.71 3a18 s MET 29 CO 0.40 -0.14 -0.05 -1.58 -0.01 0.00 0.00 175.02 173.65 3a18 s TRP 30 N -3.91 1.28 0.17 -0.03 0.51 -0.13 -2.30 118.94 114.53 3a18 s TRP 30 Ca 0.07 -0.88 0.04 0.00 -2.12 0.00 0.00 56.10 53.21 3a18 s TRP 30 Cb 0.07 -0.70 -0.05 0.00 -0.81 0.00 0.00 33.47 31.99 3a18 s TRP 30 CO -0.10 -0.05 -0.07 0.14 -0.51 0.00 0.00 176.95 176.37 3a18 s VAL 31 N -3.46 1.12 0.30 4.03 -7.23 -1.26 -0.12 120.40 113.77 3a18 s VAL 31 Ca 0.21 -2.05 -0.29 0.00 -1.81 0.00 0.00 61.98 58.04 3a18 s VAL 31 Cb 0.04 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.88 3a18 s VAL 31 CO 0.03 -0.61 1.10 -0.83 -0.31 0.00 0.00 175.10 174.48 3a18 s GLY 32 N -3.21 3.02 0.03 2.32 0.00 -1.26 -1.12 107.32 107.10 3a18 s GLY 32 Ca 0.21 0.89 0.06 0.00 0.00 0.00 0.00 44.72 45.87 3a18 s GLY 32 CO 0.03 1.47 -0.13 0.50 0.00 0.00 0.00 173.10 174.97 3a18 s ARG 33 N -1.61 2.26 -0.13 2.90 1.81 0.49 -4.83 118.95 119.83 3a18 s ARG 33 Ca 0.47 -0.89 -0.15 0.00 -1.72 0.00 0.00 55.73 53.43 3a18 s ARG 33 Cb -0.31 -2.32 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 3a18 s ARG 33 CO 0.40 0.56 0.41 0.00 -0.68 0.00 0.00 175.30 175.99 3a18 s ALA 34 N -0.98 -1.03 1.06 2.13 0.00 -1.26 0.09 121.76 121.78 3a18 s ALA 34 Ca 0.16 1.05 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3a18 s ALA 34 Cb -0.11 -0.53 0.15 0.00 0.00 0.00 0.00 23.12 22.63 3a18 s ALA 34 CO 0.07 -0.22 0.72 -0.40 0.00 0.00 0.00 175.76 175.93 3a18 n ASP 35 N 2.50 -0.70 -0.24 0.00 5.68 -1.26 -4.91 116.55 117.62 3a18 n ASP 35 Ca -0.15 -1.11 0.28 0.00 -0.50 0.00 0.00 54.79 53.32 3a18 n ASP 35 Cb 0.57 -0.59 0.68 0.00 -1.14 0.00 0.00 41.12 40.64 3a18 n ASP 35 CO 0.00 0.00 0.00 -0.78 -1.33 0.00 0.00 177.20 175.09 3a18 h ASP 36 N -1.47 0.10 -1.00 -1.12 3.58 -2.02 -2.72 116.42 111.77 3a18 h ASP 36 Ca -0.25 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.25 3a18 h ASP 36 Cb 0.71 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.70 3a18 h ASP 36 CO 0.17 0.03 0.66 0.00 -2.88 0.00 0.00 179.24 177.22 3a18 h ALA 37 N 1.53 1.33 -1.73 -0.78 0.00 -2.03 -3.39 119.26 114.20 3a18 h ALA 37 Ca 0.49 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.79 3a18 h ALA 37 Cb 1.76 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 3a18 h ALA 37 CO -0.06 0.56 1.00 -1.17 0.00 0.00 0.00 179.25 179.58 3a18 s LEU 38 N -10.15 3.58 -0.16 0.00 2.96 -1.03 -4.85 118.68 109.04 3a18 s LEU 38 Ca -0.13 0.56 0.06 0.00 -0.22 0.00 0.00 54.13 54.40 3a18 s LEU 38 Cb 0.19 -3.48 -0.14 0.00 0.50 0.00 0.00 46.19 43.26 3a18 s LEU 38 CO 0.82 -1.38 -0.08 0.00 -1.32 0.00 0.00 176.35 174.39 3a18 n GLN 39 N 8.05 0.96 -3.64 1.98 1.13 -1.26 -4.72 117.38 119.88 3a18 n GLN 39 Ca 0.14 0.06 -0.07 0.00 -1.94 0.00 0.00 57.00 55.19 3a18 n GLN 39 Cb 0.49 -1.35 -0.07 0.00 0.11 0.00 0.00 30.24 29.42 3a18 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3a18 s GLN 40 N -2.35 0.70 0.33 -1.09 0.74 -1.26 -0.75 119.66 115.98 3a18 s GLN 40 Ca -0.17 1.24 0.07 0.00 0.05 0.00 0.00 55.36 56.55 3a18 s GLN 40 Cb 0.05 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.34 3a18 s GLN 40 CO 0.47 -0.15 0.43 0.14 -0.55 0.00 0.00 175.29 175.63 3a18 s VAL 41 N 1.73 4.06 -0.09 1.34 -7.23 -0.79 -3.61 120.40 115.81 3a18 s VAL 41 Ca -0.10 -1.05 0.04 0.00 -1.81 0.00 0.00 61.98 59.06 3a18 s VAL 41 Cb -0.05 -3.40 -0.00 0.00 0.56 0.00 0.00 36.38 33.48 3a18 s VAL 41 CO -0.20 -0.17 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.49 3a18 s VAL 42 N -2.18 2.09 -0.32 1.32 1.01 -0.65 -3.33 120.40 118.35 3a18 s VAL 42 Ca 0.44 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3a18 s VAL 42 Cb -0.09 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.54 3a18 s VAL 42 CO 0.30 0.56 0.06 -0.04 0.00 0.00 0.00 175.10 175.98 3a18 s MET 43 N 0.24 2.61 -0.33 2.72 -1.94 0.11 -1.49 119.30 121.21 3a18 s MET 43 Ca -0.16 -1.17 -0.03 0.00 -1.71 0.00 0.00 55.69 52.62 3a18 s MET 43 Cb -0.17 -3.34 0.06 0.00 2.01 0.00 0.00 34.83 33.39 3a18 s MET 43 CO 0.08 -0.62 0.07 0.20 -0.01 0.00 0.00 175.02 174.74 3a18 s GLY 44 N 1.36 1.82 -0.37 -0.03 0.00 -0.00 -1.29 107.32 108.80 3a18 s GLY 44 Ca -0.02 -1.88 -0.16 0.00 0.00 0.00 0.00 44.72 42.66 3a18 s GLY 44 CO 0.01 0.77 0.40 -0.19 0.00 0.00 0.00 173.10 174.10 3a18 s TYR 45 N 1.29 3.19 -0.25 1.90 1.51 -0.47 -0.31 117.35 124.21 3a18 s TYR 45 Ca -0.02 -0.15 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3a18 s TYR 45 Cb -0.20 -2.77 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 3a18 s TYR 45 CO -0.00 -0.55 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.38 3a18 s LEU 46 N 2.09 3.30 0.16 -1.29 1.02 0.41 -0.84 118.68 123.53 3a18 s LEU 46 Ca 0.12 -0.60 0.08 0.00 0.02 0.00 0.00 54.13 53.76 3a18 s LEU 46 Cb -0.17 -1.77 -0.04 0.00 0.02 0.00 0.00 46.19 44.23 3a18 s LEU 46 CO 0.12 -0.10 -0.10 -0.83 0.02 0.00 0.00 176.35 175.46 3a18 s GLY 47 N 1.45 1.74 -0.07 -3.19 0.00 0.48 -0.66 107.32 107.08 3a18 s GLY 47 Ca 0.03 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.35 3a18 s GLY 47 CO -0.01 -1.42 -0.08 0.14 0.00 0.00 0.00 173.10 171.72 3a18 s VAL 48 N -1.55 0.89 -0.03 1.40 1.01 0.69 -1.93 120.40 120.89 3a18 s VAL 48 Ca 0.23 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.98 3a18 s VAL 48 Cb -0.09 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3a18 s VAL 48 CO 0.14 0.31 -0.25 -1.58 0.00 0.00 0.00 175.10 173.72 3a18 s GLN 49 N 0.97 2.21 0.19 2.72 0.74 0.17 -0.33 119.66 126.32 3a18 s GLN 49 Ca -0.09 -0.91 -0.19 0.00 0.05 0.00 0.00 55.36 54.22 3a18 s GLN 49 Cb -0.15 -2.05 0.04 0.00 1.10 0.00 0.00 33.01 31.95 3a18 s GLN 49 CO 0.00 0.50 0.54 -0.59 -0.55 0.00 0.00 175.29 175.19 3a18 s PHE 50 N -0.47 -0.22 0.00 1.67 -0.71 -0.35 -0.24 117.98 117.66 3a18 s PHE 50 Ca 0.06 -0.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.85 3a18 s PHE 50 Cb -0.11 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.14 3a18 s PHE 50 CO 0.00 -0.90 0.00 -2.13 -1.34 0.00 0.00 175.22 170.85 3a18 n ARG 51 N -0.34 0.16 -3.04 1.99 0.63 -1.26 0.68 116.66 115.47 3a18 n ARG 51 Ca -0.12 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.43 3a18 n ARG 51 Cb 0.63 -0.81 -0.06 0.00 0.45 0.00 0.00 32.46 32.67 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 -3.53 7.27 0.29 6.15 1.01 -1.26 -4.86 116.67 121.73 3a18 s ASP 52 Ca 0.00 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.84 3a18 s ASP 52 Cb 0.00 -2.47 0.60 0.00 1.01 0.00 0.00 42.92 42.07 3a18 s ASP 52 CO 0.00 0.16 1.81 -0.33 0.21 0.00 0.00 175.17 177.03 3a18 h GLU 53 N 4.07 0.89 0.00 8.23 4.39 -2.02 -1.86 114.58 128.28 3a18 h GLU 53 Ca -0.48 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3a18 h GLU 53 Cb 1.20 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 3a18 h GLU 53 CO 0.65 0.59 0.00 -0.40 -1.16 0.00 0.00 179.01 178.69 3a18 n ASP 54 N -4.67 0.05 0.03 1.42 5.75 -1.26 -1.73 116.55 116.13 3a18 n ASP 54 Ca 0.20 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.61 3a18 n ASP 54 Cb 0.42 -0.53 0.12 0.00 -1.03 0.00 0.00 41.12 40.10 3a18 n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a18 n GLN 55 N -1.56 0.20 -0.07 0.11 6.02 -0.70 -4.50 117.38 116.88 3a18 n GLN 55 Ca 0.02 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.96 3a18 n GLN 55 Cb 0.12 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.77 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 0.05 -0.35 -1.09 2.43 -1.43 -0.19 114.38 113.80 3a18 h ARG 56 Ca 0.00 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3a18 h ARG 56 Cb 0.66 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.15 3a18 h ARG 56 CO 0.00 0.03 0.05 -1.35 -1.51 0.00 0.00 179.97 177.19 3a18 h PRO 57 N 0.05 0.16 -0.78 0.20 0.11 -1.80 0.12 132.00 130.07 3a18 h PRO 57 Ca 0.13 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 3a18 h PRO 57 Cb 0.18 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 3a18 h PRO 57 CO -0.24 0.10 0.34 0.00 -0.21 0.00 0.00 178.00 178.00 3a18 h ALA 58 N 1.27 1.14 -0.27 -0.75 0.00 -1.80 -0.16 119.26 118.69 3a18 h ALA 58 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3a18 h ALA 58 Cb 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a18 h ALA 58 CO -0.24 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3a18 h ALA 59 N 1.26 0.37 -0.63 0.00 0.00 -0.46 0.24 119.26 120.03 3a18 h ALA 59 Ca 0.26 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3a18 h ALA 59 Cb 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3a18 h ALA 59 CO -0.03 0.10 0.16 -0.07 0.00 0.00 0.00 179.25 179.41 3a18 h LEU 60 N 0.26 0.92 -0.46 0.00 3.38 -0.63 -2.14 115.31 116.65 3a18 h LEU 60 Ca 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3a18 h LEU 60 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3a18 h LEU 60 CO 0.01 0.89 0.19 -0.61 0.09 0.00 0.00 178.44 179.01 3a18 h GLN 61 N 0.94 0.68 -0.77 1.13 5.75 -0.80 -0.58 115.11 121.46 3a18 h GLN 61 Ca 0.20 -0.12 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3a18 h GLN 61 Cb 0.32 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 3a18 h GLN 61 CO -0.00 0.61 0.47 0.00 -2.65 0.00 0.00 178.83 177.26 3a18 h ALA 62 N 1.04 0.98 -0.65 3.38 0.00 -0.78 0.43 119.26 123.66 3a18 h ALA 62 Ca 0.15 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3a18 h ALA 62 Cb 0.18 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3a18 h ALA 62 CO -0.01 0.45 0.42 1.98 0.00 0.00 0.00 179.25 182.08 3a18 h MET 63 N 1.06 0.80 -0.52 0.00 1.85 -1.12 -0.65 114.93 116.36 3a18 h MET 63 Ca 0.28 -0.05 -0.04 0.00 -0.61 0.00 0.00 59.70 59.28 3a18 h MET 63 Cb -0.05 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 31.78 3a18 h MET 63 CO -0.05 0.53 0.15 0.00 -0.40 0.00 0.00 176.91 177.14 3a18 h ARG 64 N 0.83 0.77 -0.20 0.39 3.08 -0.43 -1.56 114.38 117.26 3a18 h ARG 64 Ca 0.25 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3a18 h ARG 64 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3a18 h ARG 64 CO -0.09 0.68 0.08 -0.44 -1.07 0.00 0.00 179.97 179.13 3a18 h ASP 65 N 0.75 0.27 -0.15 7.04 3.32 -0.32 -1.69 116.42 125.65 3a18 h ASP 65 Ca 0.17 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3a18 h ASP 65 Cb 0.23 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3a18 h ASP 65 CO -0.01 0.37 0.05 0.40 -1.72 0.00 0.00 179.24 178.33 3a18 h ILE 66 N 0.16 0.97 -0.87 0.35 2.04 -0.83 -1.44 117.51 117.89 3a18 h ILE 66 Ca 0.07 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3a18 h ILE 66 Cb 0.18 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3a18 h ILE 66 CO -0.01 0.02 0.54 0.58 0.00 0.00 0.00 178.15 179.28 3a18 h VAL 67 N 0.13 1.01 -0.25 1.67 2.07 -1.26 -1.33 116.25 118.29 3a18 h VAL 67 Ca 0.06 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 3a18 h VAL 67 Cb 0.03 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 3a18 h VAL 67 CO -0.06 0.17 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 3a18 h ALA 68 N 1.42 1.33 0.00 1.67 0.00 -0.90 -2.14 119.26 120.65 3a18 h ALA 68 Ca 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a18 h ALA 68 Cb 0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3a18 h ALA 68 CO -0.19 0.45 -0.05 0.78 0.00 0.00 0.00 179.25 180.24 3a18 h GLY 69 N 0.87 0.00 2.00 0.00 0.00 -0.16 -1.86 103.07 103.92 3a18 h GLY 69 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3a18 h GLY 69 CO 0.03 0.00 -0.12 0.74 0.00 0.00 0.00 176.54 177.19 3a18 h PHE 70 N 0.00 0.00 -0.00 5.60 0.04 -1.11 -3.02 116.94 118.45 3a18 h PHE 70 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3a18 h PHE 70 Cb 0.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3a18 h PHE 70 CO 0.00 0.12 -0.02 -0.25 -0.60 0.00 0.00 178.31 177.56 3a18 n ASP 71 N -3.25 0.21 -4.84 2.17 9.92 -0.70 -4.18 116.55 115.88 3a18 n ASP 71 Ca 0.00 -0.77 -0.32 0.00 -0.53 0.00 0.00 54.79 53.18 3a18 n ASP 71 Cb 0.38 -0.08 -0.01 0.00 -0.64 0.00 0.00 41.12 40.77 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 -2.21 3.47 0.22 0.64 1.43 -1.14 -4.96 118.68 116.13 3a18 s LEU 72 Ca 0.39 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.79 3a18 s LEU 72 Cb 0.21 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.77 3a18 s LEU 72 CO 0.41 -0.84 0.93 -2.65 0.23 0.00 0.00 176.35 174.42 3a18 n PRO 73 N -2.05 0.90 -1.13 1.29 -0.02 -1.26 -1.56 135.00 131.17 3a18 n PRO 73 Ca 0.07 0.32 -0.05 0.00 -2.02 0.00 0.00 63.50 61.82 3a18 n PRO 73 Cb 0.54 -1.63 -0.02 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.64 -4.34 -4.37 2.55 8.00 -1.26 -4.69 116.55 114.07 3a18 n ASP 74 Ca 0.14 0.11 -0.29 0.00 0.71 0.00 0.00 54.79 55.46 3a18 n ASP 74 Cb 0.27 -2.24 0.23 0.00 -0.02 0.00 0.00 41.12 39.36 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 -2.40 1.54 0.59 0.44 0.00 -0.60 -4.45 107.32 102.43 3a18 s GLY 75 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 3a18 s GLY 75 CO 0.00 0.33 1.14 2.56 0.00 0.00 0.00 173.10 177.13 3a18 s PRO 76 N -4.82 3.12 0.39 2.90 0.04 -1.26 -4.94 135.00 130.44 3a18 s PRO 76 Ca 0.68 1.59 0.20 0.00 0.04 0.00 0.00 61.00 63.50 3a18 s PRO 76 Cb -0.20 -1.98 0.73 0.00 0.04 0.00 0.00 34.50 33.10 3a18 s PRO 76 CO 0.60 -1.03 1.76 0.00 0.04 0.00 0.00 177.00 178.37 3a18 h ALA 77 N 0.80 1.01 -2.44 8.56 0.00 -1.05 -3.46 119.26 122.68 3a18 h ALA 77 Ca -0.49 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 3a18 h ALA 77 Cb 1.26 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 3a18 h ALA 77 CO 0.56 0.42 -0.19 -1.58 0.00 0.00 0.00 179.25 178.46 3a18 s HIS 78 N -3.63 -0.28 0.15 0.00 5.65 -1.16 -4.98 115.29 111.03 3a18 s HIS 78 Ca 0.00 0.48 -0.16 0.00 0.25 0.00 0.00 55.06 55.62 3a18 s HIS 78 Cb 0.11 0.15 0.03 0.00 -1.18 0.00 0.00 32.58 31.69 3a18 s HIS 78 CO 0.68 -0.41 0.43 -3.38 -0.65 0.00 0.00 174.74 171.41 3a18 s HIS 79 N -1.19 -0.14 0.12 3.88 -0.00 -1.26 -0.89 115.29 115.81 3a18 s HIS 79 Ca -0.12 -0.18 -0.10 0.00 -0.00 0.00 0.00 55.06 54.66 3a18 s HIS 79 Cb -0.04 0.28 0.00 0.00 -0.00 0.00 0.00 32.58 32.82 3a18 s HIS 79 CO 0.05 -0.77 0.27 0.16 -0.00 0.00 0.00 174.74 174.45 3a18 s ASP 80 N -2.83 0.03 -0.04 7.38 1.47 -0.90 -5.00 116.67 116.78 3a18 s ASP 80 Ca 0.06 -0.67 0.06 0.00 1.18 0.00 0.00 52.55 53.17 3a18 s ASP 80 Cb 0.01 0.40 -0.01 0.00 -0.34 0.00 0.00 42.92 42.98 3a18 s ASP 80 CO -0.08 -0.82 -0.22 -0.76 0.68 0.00 0.00 175.17 173.97 3a18 s LEU 81 N -2.89 2.02 0.15 2.11 1.43 -1.26 -1.01 118.68 119.23 3a18 s LEU 81 Ca 0.09 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3a18 s LEU 81 Cb 0.04 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3a18 s LEU 81 CO -0.07 0.23 0.00 0.42 0.23 0.00 0.00 176.35 177.16 3a18 s THR 82 N -0.21 0.57 0.00 5.49 -4.23 0.24 -0.62 115.64 116.88 3a18 s THR 82 Ca 0.00 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 3a18 s THR 82 Cb -0.12 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 3a18 s THR 82 CO 0.02 -0.53 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.20 3a18 s HIS 83 N -3.73 0.82 0.08 3.99 5.04 0.63 -1.16 115.29 120.96 3a18 s HIS 83 Ca 0.22 -0.20 -0.19 0.00 -1.54 0.00 0.00 55.06 53.35 3a18 s HIS 83 Cb 0.06 -0.52 0.04 0.00 0.04 0.00 0.00 32.58 32.21 3a18 s HIS 83 CO 0.02 -0.01 0.44 -3.38 -2.34 0.00 0.00 174.74 169.47 3a18 s HIS 84 N -0.39 -0.30 -0.21 3.88 -3.43 -0.76 -0.76 115.29 113.32 3a18 s HIS 84 Ca 0.02 0.16 -0.06 0.00 -0.80 0.00 0.00 55.06 54.37 3a18 s HIS 84 Cb -0.05 0.28 -0.03 0.00 -1.43 0.00 0.00 32.58 31.36 3a18 s HIS 84 CO -0.00 -0.65 0.04 0.42 -2.00 0.00 0.00 174.74 172.55 3a18 s ILE 85 N -3.05 4.35 0.57 -5.38 1.01 -1.26 0.12 121.20 117.56 3a18 s ILE 85 Ca -0.02 -0.18 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3a18 s ILE 85 Cb 0.00 -2.98 0.13 0.00 0.01 0.00 0.00 42.46 39.62 3a18 s ILE 85 CO -0.07 0.41 0.78 -0.90 0.00 0.00 0.00 174.94 175.17 3a18 n ASP 86 N 4.18 0.09 -0.01 3.58 5.68 -0.19 -4.92 116.55 124.97 3a18 n ASP 86 Ca -0.17 -1.30 0.12 0.00 -0.50 0.00 0.00 54.79 52.95 3a18 n ASP 86 Cb 0.52 -0.59 0.73 0.00 -1.14 0.00 0.00 41.12 40.64 3a18 n ASP 86 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3a18 n ASN 87 N -3.48 0.03 -0.76 -1.12 0.23 -1.26 -2.36 115.26 106.53 3a18 n ASN 87 Ca 0.10 -1.23 0.11 0.00 -0.53 0.00 0.00 54.58 53.03 3a18 n ASN 87 Cb 0.34 -0.00 0.06 0.00 -2.08 0.00 0.00 39.78 38.11 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 -0.87 1.85 -0.67 -3.83 1.13 -1.26 -4.98 117.38 108.75 3a18 n GLN 88 Ca 0.19 -1.56 0.00 0.00 -1.94 0.00 0.00 57.00 53.68 3a18 n GLN 88 Cb 0.09 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 1.27 0.69 3.75 1.08 0.00 -1.00 -5.05 105.19 105.93 3a18 n GLY 89 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.23 3.67 0.10 1.61 1.51 -1.26 -4.79 117.35 115.96 3a18 s TYR 90 Ca 0.00 1.29 -0.27 0.00 -1.01 0.00 0.00 57.07 57.08 3a18 s TYR 90 Cb 0.00 -2.72 -0.06 0.00 -0.11 0.00 0.00 41.96 39.07 3a18 s TYR 90 CO 0.00 0.27 0.85 -1.21 -1.11 0.00 0.00 175.55 174.35 3a18 s GLU 91 N 0.07 4.61 -0.15 -0.62 2.02 0.21 -1.02 118.70 123.82 3a18 s GLU 91 Ca 0.35 1.25 0.00 0.00 0.02 0.00 0.00 54.97 56.59 3a18 s GLU 91 Cb -0.19 -3.35 0.03 0.00 0.10 0.00 0.00 34.13 30.72 3a18 s GLU 91 CO 0.19 0.31 -0.10 -0.80 0.02 0.00 0.00 175.26 174.87 3a18 s ASN 92 N -0.24 2.73 -0.26 -0.19 0.01 0.12 -1.22 114.94 115.90 3a18 s ASN 92 Ca 0.42 -0.55 -0.13 0.00 -0.71 0.00 0.00 52.86 51.88 3a18 s ASN 92 Cb -0.22 -1.07 -0.04 0.00 0.41 0.00 0.00 41.25 40.33 3a18 s ASN 92 CO 0.27 -0.11 0.29 -0.76 -1.51 0.00 0.00 177.10 175.27 3a18 s LEU 93 N 1.55 4.07 -0.15 0.60 1.43 0.55 -1.83 118.68 124.88 3a18 s LEU 93 Ca 0.03 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3a18 s LEU 93 Cb -0.14 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.81 3a18 s LEU 93 CO -0.09 -0.08 -0.17 -0.63 0.23 0.00 0.00 176.35 175.61 3a18 s ILE 94 N 1.66 1.76 -0.29 -0.59 1.01 -0.31 -0.22 121.20 124.22 3a18 s ILE 94 Ca 0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 3a18 s ILE 94 Cb -0.15 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3a18 s ILE 94 CO 0.09 0.49 0.36 -0.69 0.00 0.00 0.00 174.94 175.19 3a18 s VAL 95 N 1.33 5.18 -0.25 2.92 1.01 0.17 -0.59 120.40 130.16 3a18 s VAL 95 Ca 0.03 0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.31 3a18 s VAL 95 Cb -0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3a18 s VAL 95 CO -0.10 0.09 0.14 0.54 0.00 0.00 0.00 175.10 175.77 3a18 s VAL 96 N 2.04 5.04 -0.04 2.92 0.11 -0.18 -0.44 120.40 129.86 3a18 s VAL 96 Ca 0.14 0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.27 3a18 s VAL 96 Cb -0.16 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.29 3a18 s VAL 96 CO 0.11 0.32 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.34 3a18 s GLY 97 N 1.39 1.81 -0.13 6.54 0.00 0.58 -2.11 107.32 115.40 3a18 s GLY 97 Ca 0.07 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.89 3a18 s GLY 97 CO 0.06 -0.73 -0.18 -0.19 0.00 0.00 0.00 173.10 172.06 3a18 s TYR 98 N -0.96 2.32 0.04 1.90 2.02 -0.07 -0.82 117.35 121.77 3a18 s TYR 98 Ca 0.16 -1.17 0.06 0.00 -0.37 0.00 0.00 57.07 55.74 3a18 s TYR 98 Cb -0.11 -1.63 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 3a18 s TYR 98 CO 0.06 -0.58 -0.12 -1.58 -1.57 0.00 0.00 175.55 171.76 3a18 s TRP 99 N 1.00 2.73 -0.98 2.71 0.51 -0.56 -0.33 118.94 124.03 3a18 s TRP 99 Ca -0.05 -0.15 0.28 0.00 -2.12 0.00 0.00 56.10 54.07 3a18 s TRP 99 Cb -0.15 -1.51 1.08 0.00 -0.81 0.00 0.00 33.47 32.08 3a18 s TRP 99 CO -0.04 0.34 1.83 1.63 -0.51 0.00 0.00 176.95 180.20 3a18 n LYS 100 N 1.37 0.02 -3.64 4.98 5.02 -1.26 -1.64 118.16 123.01 3a18 n LYS 100 Ca -0.15 0.02 -0.14 0.00 -2.02 0.00 0.00 58.31 56.02 3a18 n LYS 100 Cb 0.52 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.12 -0.35 0.13 4.39 -4.77 -1.24 -4.53 116.67 107.18 3a18 s ASP 101 Ca 0.13 0.14 -0.17 0.00 -3.30 0.00 0.00 52.55 49.35 3a18 s ASP 101 Cb 0.18 0.43 -0.02 0.00 -1.09 0.00 0.00 42.92 42.42 3a18 s ASP 101 CO 0.56 -0.63 1.68 0.58 0.70 0.00 0.00 175.17 178.06 3a18 h VAL 102 N 3.11 1.18 -0.65 2.11 2.07 -1.88 -3.11 116.25 119.08 3a18 h VAL 102 Ca -0.30 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 3a18 h VAL 102 Cb 1.19 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 3a18 h VAL 102 CO 0.42 0.20 0.27 0.28 0.02 0.00 0.00 177.57 178.76 3a18 h SER 103 N 0.43 0.87 -0.43 0.57 0.02 -1.97 -0.88 113.55 112.15 3a18 h SER 103 Ca 0.12 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3a18 h SER 103 Cb 0.17 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3a18 h SER 103 CO -0.01 0.77 0.15 0.77 -1.14 0.00 0.00 176.83 177.37 3a18 h SER 104 N 0.94 0.61 -0.54 3.07 4.64 -1.91 0.02 113.55 120.37 3a18 h SER 104 Ca 0.22 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 3a18 h SER 104 Cb 0.17 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.07 3a18 h SER 104 CO -0.02 0.64 0.23 -0.61 -0.87 0.00 0.00 176.83 176.20 3a18 h GLN 105 N 0.55 0.85 -0.23 4.77 -0.00 -1.38 -1.43 115.11 118.23 3a18 h GLN 105 Ca 0.14 -0.13 -0.07 0.00 -0.00 0.00 0.00 58.65 58.59 3a18 h GLN 105 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 3a18 h GLN 105 CO -0.01 0.70 -0.12 1.25 0.00 0.00 0.00 178.83 180.65 3a18 h HIS 106 N 0.84 0.57 -0.79 3.99 2.76 -0.83 0.44 115.15 122.14 3a18 h HIS 106 Ca 0.20 -0.14 0.02 0.00 -2.20 0.00 0.00 60.37 58.24 3a18 h HIS 106 Cb 0.17 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3a18 h HIS 106 CO 0.01 0.77 0.51 0.00 -1.30 0.00 0.00 177.93 177.93 3a18 h ARG 107 N 0.21 1.00 0.49 5.26 3.08 -0.84 -1.96 114.38 121.62 3a18 h ARG 107 Ca 0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3a18 h ARG 107 Cb 0.63 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3a18 h ARG 107 CO 0.04 0.66 -0.24 2.35 -1.07 0.00 0.00 179.97 181.71 3a18 h TRP 108 N 1.03 -0.61 -0.20 3.04 7.01 -1.11 -2.00 115.95 123.10 3a18 h TRP 108 Ca 0.30 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.33 3a18 h TRP 108 Cb -0.06 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 3a18 h TRP 108 CO -0.02 -0.31 0.14 1.03 -2.79 0.00 0.00 178.44 176.49 3a18 h SER 109 N -0.83 0.07 -0.03 2.65 0.87 -0.83 -2.13 113.55 113.32 3a18 h SER 109 Ca -0.07 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3a18 h SER 109 Cb 0.58 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3a18 h SER 109 CO 0.11 0.05 -0.02 0.35 -0.53 0.00 0.00 176.83 176.79 3a18 n THR 110 N -4.49 0.00 -2.23 2.23 -2.24 -0.75 -3.44 114.28 103.36 3a18 n THR 110 Ca 0.01 -0.49 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 3a18 n THR 110 Cb 0.22 1.47 -0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 -1.95 5.91 0.21 3.42 1.04 -0.76 -4.70 113.70 116.87 3a18 s SER 111 Ca 0.27 2.28 -0.18 0.00 0.48 0.00 0.00 55.95 58.80 3a18 s SER 111 Cb 0.19 -2.60 0.20 0.00 0.10 0.00 0.00 66.02 63.91 3a18 s SER 111 CO 0.30 -1.09 1.58 0.74 0.98 0.00 0.00 173.24 175.75 3a18 h THR 112 N 1.55 0.14 -0.40 2.02 2.02 -1.90 -1.00 112.91 115.34 3a18 h THR 112 Ca -0.50 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 3a18 h THR 112 Cb 1.26 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3a18 h THR 112 CO 0.59 0.00 -0.05 -0.65 0.37 0.00 0.00 175.52 175.78 3a18 h PRO 113 N -0.09 0.66 0.05 6.66 0.11 -1.92 -0.90 132.00 136.57 3a18 h PRO 113 Ca 0.29 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3a18 h PRO 113 Cb 0.57 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3a18 h PRO 113 CO -0.77 0.71 -0.03 0.82 -0.21 0.00 0.00 178.00 178.52 3a18 h ILE 114 N 0.62 1.21 -0.73 4.15 1.08 -1.67 -3.11 117.51 119.06 3a18 h ILE 114 Ca 0.12 -1.60 -0.05 0.00 -0.39 0.00 0.00 64.86 62.94 3a18 h ILE 114 Cb 0.46 2.16 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 3a18 h ILE 114 CO 0.02 0.36 0.25 0.00 -0.69 0.00 0.00 178.15 178.10 3a18 h ALA 115 N -0.13 1.07 -0.36 1.87 0.00 -1.18 -2.19 119.26 118.33 3a18 h ALA 115 Ca -0.01 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3a18 h ALA 115 Cb 0.65 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3a18 h ALA 115 CO 0.01 0.64 -0.10 0.66 0.00 0.00 0.00 179.25 180.47 3a18 h SER 116 N 1.07 0.60 -0.18 0.00 4.64 -1.30 -0.78 113.55 117.61 3a18 h SER 116 Ca 0.24 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3a18 h SER 116 Cb 0.26 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 3a18 h SER 116 CO -0.01 0.74 -0.02 -0.25 -0.87 0.00 0.00 176.83 176.42 3a18 h TRP 117 N 0.57 0.37 -0.49 4.77 7.01 -1.42 -2.35 115.95 124.42 3a18 h TRP 117 Ca 0.10 -0.07 -0.10 0.00 2.11 0.00 0.00 58.89 60.94 3a18 h TRP 117 Cb 0.51 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.46 3a18 h TRP 117 CO 0.02 0.56 -0.09 2.35 -2.79 0.00 0.00 178.44 178.50 3a18 h TRP 118 N 0.06 0.96 -0.00 2.65 2.91 -1.20 -3.12 115.95 118.21 3a18 h TRP 118 Ca 0.05 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.89 3a18 h TRP 118 Cb 0.43 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 3a18 h TRP 118 CO 0.04 0.92 -0.35 0.39 -1.03 0.00 0.00 178.44 178.42 3a18 n GLU 119 N -4.16 0.27 -1.77 2.65 1.02 -0.31 -4.91 120.64 113.42 3a18 n GLU 119 Ca 0.02 -0.14 -0.40 0.00 -0.02 0.00 0.00 57.16 56.62 3a18 n GLU 119 Cb 0.37 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.31 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 -2.83 5.72 0.59 1.62 0.15 -0.88 -4.88 113.70 113.19 3a18 s SER 120 Ca 0.16 2.92 0.34 0.00 0.70 0.00 0.00 55.95 60.08 3a18 s SER 120 Cb 0.18 -2.65 1.87 0.00 -1.71 0.00 0.00 66.02 63.71 3a18 s SER 120 CO 0.61 -1.28 2.22 -0.33 1.20 0.00 0.00 173.24 175.66 3a18 h GLU 121 N 2.14 0.00 0.00 5.44 3.07 -1.91 -2.39 114.58 120.93 3a18 h GLU 121 Ca -0.51 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.34 3a18 h GLU 121 Cb 1.27 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3a18 h GLU 121 CO 0.60 0.04 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.75 3a18 h ASP 122 N 0.00 0.00 0.43 1.42 5.19 -1.93 -1.48 116.42 120.05 3a18 h ASP 122 Ca -0.00 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.35 3a18 h ASP 122 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 3a18 h ASP 122 CO 0.00 0.06 -0.30 0.03 -3.12 0.00 0.00 179.24 175.91 3a18 h ARG 123 N 0.00 0.00 0.02 3.56 2.47 -1.72 -0.82 114.38 117.89 3a18 h ARG 123 Ca -0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 3a18 h ARG 123 Cb 0.25 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 3a18 h ARG 123 CO 0.01 0.30 -1.23 -0.07 0.56 0.00 0.00 179.97 179.54 3a18 h LEU 124 N 0.00 0.07 0.00 3.04 3.38 -1.46 -3.37 115.31 116.98 3a18 h LEU 124 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3a18 h LEU 124 Cb 0.60 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3a18 h LEU 124 CO 0.04 1.07 -0.73 -1.54 0.09 0.00 0.00 178.44 177.38 3a18 n SER 125 N -3.31 0.63 0.23 -0.43 3.41 -1.05 -4.16 113.62 108.94 3a18 n SER 125 Ca -0.06 -0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3a18 n SER 125 Cb 0.98 0.39 0.76 0.00 -0.26 0.00 0.00 64.21 66.08 3a18 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a18 h ASP 126 N 0.00 0.00 0.00 4.04 3.32 -1.32 -3.46 116.42 119.01 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 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3a18 h ASP 126 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3a18 n GLY 127 N -1.46 3.04 3.84 2.75 0.00 -1.26 -5.02 105.19 107.07 3a18 n GLY 127 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 3.29 0.02 0.99 1.43 -1.26 -5.00 118.68 118.14 3a18 s LEU 128 Ca 0.00 1.57 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3a18 s LEU 128 Cb 0.00 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.67 3a18 s LEU 128 CO 0.00 -1.08 0.43 -0.83 0.23 0.00 0.00 176.35 175.09 3a18 s GLY 129 N -3.66 2.49 0.01 -3.19 0.00 0.67 -4.68 107.32 98.96 3a18 s GLY 129 Ca 0.58 -0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.16 3a18 s GLY 129 CO 0.48 0.16 -0.16 -1.36 0.00 0.00 0.00 173.10 172.22 3a18 s PHE 130 N -1.11 1.44 0.02 1.90 0.08 0.00 0.44 117.98 120.75 3a18 s PHE 130 Ca 0.25 -0.31 -0.08 0.00 0.12 0.00 0.00 56.93 56.91 3a18 s PHE 130 Cb -0.17 -0.89 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 3a18 s PHE 130 CO 0.14 0.02 0.17 -0.59 -0.10 0.00 0.00 175.22 174.85 3a18 s PHE 131 N -0.58 0.05 -0.14 0.36 -0.12 -0.81 -0.04 117.98 116.70 3a18 s PHE 131 Ca 0.05 -0.20 -0.01 0.00 -0.05 0.00 0.00 56.93 56.72 3a18 s PHE 131 Cb -0.07 -0.04 0.04 0.00 -0.63 0.00 0.00 43.02 42.31 3a18 s PHE 131 CO 0.00 -0.36 -0.03 1.03 -0.05 0.00 0.00 175.22 175.82 3a18 s ARG 132 N -1.96 1.12 -0.45 1.99 0.52 0.34 -0.39 118.95 120.13 3a18 s ARG 132 Ca -0.10 -0.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3a18 s ARG 132 Cb -0.04 -1.73 0.12 0.00 0.52 0.00 0.00 34.95 33.82 3a18 s ARG 132 CO -0.01 -0.42 0.22 -1.21 0.02 0.00 0.00 175.30 173.90 3a18 s GLU 133 N 1.76 1.97 -0.20 3.54 2.02 -0.02 -0.36 118.70 127.41 3a18 s GLU 133 Ca 0.02 -2.10 -0.02 0.00 0.02 0.00 0.00 54.97 52.89 3a18 s GLU 133 Cb -0.14 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.62 3a18 s GLU 133 CO -0.07 -1.06 -0.11 0.42 0.02 0.00 0.00 175.26 174.45 3a18 s ILE 134 N 0.62 2.75 0.03 -1.63 1.01 0.20 -1.37 121.20 122.81 3a18 s ILE 134 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.08 3a18 s ILE 134 Cb -0.22 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 3a18 s ILE 134 CO -0.04 0.46 -0.12 0.68 0.00 0.00 0.00 174.94 175.91 3a18 s VAL 135 N 1.38 0.95 -0.49 2.92 -7.23 -0.41 -0.77 120.40 116.75 3a18 s VAL 135 Ca 0.05 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 3a18 s VAL 135 Cb -0.14 -0.88 0.17 0.00 0.56 0.00 0.00 36.38 36.09 3a18 s VAL 135 CO -0.08 -0.03 0.37 0.00 -0.31 0.00 0.00 175.10 175.05 3a18 s ALA 136 N -0.83 2.08 0.20 1.32 0.00 0.16 0.07 121.76 124.75 3a18 s ALA 136 Ca 0.00 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 48.86 3a18 s ALA 136 Cb -0.07 -1.77 -0.08 0.00 0.00 0.00 0.00 23.12 21.20 3a18 s ALA 136 CO 0.01 -2.02 0.98 -1.25 0.00 0.00 0.00 175.76 173.48 3a18 s PRO 137 N -0.27 4.76 0.91 0.00 0.04 -1.21 -4.81 135.00 134.42 3a18 s PRO 137 Ca 0.29 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3a18 s PRO 137 Cb -0.02 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.35 3a18 s PRO 137 CO -0.16 0.35 1.10 1.03 0.04 0.00 0.00 177.00 179.36 3a18 s ARG 138 N -0.77 1.15 0.40 4.56 0.52 -1.26 -1.89 118.95 121.67 3a18 s ARG 138 Ca 0.44 1.09 0.15 0.00 -0.52 0.00 0.00 55.73 56.89 3a18 s ARG 138 Cb -0.26 -1.78 1.02 0.00 0.52 0.00 0.00 34.95 34.45 3a18 s ARG 138 CO 0.33 -2.39 1.86 0.00 0.02 0.00 0.00 175.30 175.11 3a18 h ALA 139 N -1.67 2.11 0.00 2.13 0.00 -1.23 0.20 119.26 120.81 3a18 h ALA 139 Ca -0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a18 h ALA 139 Cb 1.27 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a18 h ALA 139 CO 0.50 -0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.51 3a18 n GLU 140 N -4.53 0.20 -0.27 0.00 0.28 -1.26 -3.74 120.64 111.31 3a18 n GLU 140 Ca 0.19 0.04 0.07 0.00 -0.16 0.00 0.00 57.16 57.30 3a18 n GLU 140 Cb 0.64 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.39 2.94 -3.98 3.44 6.02 0.72 -1.50 117.38 123.63 3a18 n GLN 141 Ca 0.10 -2.30 -0.08 0.00 -0.01 0.00 0.00 57.00 54.70 3a18 n GLN 141 Cb 0.26 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.35 0.30 0.08 1.08 -0.12 -1.23 -0.77 117.98 115.97 3a18 s PHE 142 Ca 0.31 -0.70 0.03 0.00 -0.05 0.00 0.00 56.93 56.52 3a18 s PHE 142 Cb 0.18 -0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3a18 s PHE 142 CO 0.17 -0.37 -0.10 -1.83 -0.05 0.00 0.00 175.22 173.04 3a18 s GLU 143 N -3.04 0.75 0.15 1.99 4.04 0.51 -4.59 118.70 118.50 3a18 s GLU 143 Ca -0.01 -1.01 0.06 0.00 0.04 0.00 0.00 54.97 54.04 3a18 s GLU 143 Cb 0.01 -0.49 -0.04 0.00 0.02 0.00 0.00 34.13 33.63 3a18 s GLU 143 CO -0.07 0.08 -0.13 0.95 -1.84 0.00 0.00 175.26 174.25 3a18 s THR 144 N -1.99 1.40 -0.20 1.83 -4.23 -1.26 -0.85 115.64 110.33 3a18 s THR 144 Ca -0.00 -1.92 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 3a18 s THR 144 Cb -0.06 -1.73 0.08 0.00 1.34 0.00 0.00 72.50 72.13 3a18 s THR 144 CO 0.00 -0.53 0.45 -0.22 -0.54 0.00 0.00 174.62 173.78 3a18 s LEU 145 N -2.82 -0.47 -0.05 4.79 2.96 -0.21 -4.69 118.68 118.19 3a18 s LEU 145 Ca 0.14 1.03 0.04 0.00 -0.22 0.00 0.00 54.13 55.12 3a18 s LEU 145 Cb -0.02 1.49 -0.00 0.00 0.50 0.00 0.00 46.19 48.15 3a18 s LEU 145 CO 0.03 -0.22 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.37 3a18 s TYR 146 N 2.05 1.73 -0.29 5.38 2.02 0.82 -0.94 117.35 128.14 3a18 s TYR 146 Ca -0.06 -0.53 0.03 0.00 -0.37 0.00 0.00 57.07 56.14 3a18 s TYR 146 Cb -0.10 -1.18 0.32 0.00 -0.40 0.00 0.00 41.96 40.60 3a18 s TYR 146 CO -0.14 -0.20 1.35 0.00 -1.57 0.00 0.00 175.55 175.00 3a18 n ALA 147 N 3.25 3.77 -3.66 3.71 0.00 -0.67 -0.95 120.51 125.96 3a18 n ALA 147 Ca -0.19 -1.23 -0.08 0.00 0.00 0.00 0.00 53.44 51.94 3a18 n ALA 147 Cb 0.53 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.55 -0.31 -0.03 0.00 -0.12 -1.26 -4.82 117.98 109.88 3a18 s PHE 148 Ca 0.26 -0.01 0.12 0.00 -0.05 0.00 0.00 56.93 57.25 3a18 s PHE 148 Cb 0.21 0.63 -0.18 0.00 -0.63 0.00 0.00 43.02 43.05 3a18 s PHE 148 CO 0.05 -0.98 0.23 1.04 -0.05 0.00 0.00 175.22 175.52 3a18 n GLN 149 N -0.41 0.65 -4.23 1.99 6.02 -1.26 -4.68 117.38 115.46 3a18 n GLN 149 Ca -0.09 -0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.57 3a18 n GLN 149 Cb 0.62 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.76 2.25 -1.25 -1.09 1.03 -1.26 -4.81 118.70 110.80 3a18 s GLU 150 Ca -0.05 -1.59 -0.12 0.00 0.03 0.00 0.00 54.97 53.25 3a18 s GLU 150 Cb 0.07 -2.08 -0.00 0.00 -0.80 0.00 0.00 34.13 31.31 3a18 s GLU 150 CO 0.51 0.18 0.65 -0.25 -1.33 0.00 0.00 175.26 175.01 3a18 n ASP 151 N -1.02 -3.05 -4.69 0.83 8.00 -1.26 -4.85 116.55 110.51 3a18 n ASP 151 Ca -0.04 -1.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.04 3a18 n ASP 151 Cb 0.61 -3.30 -0.03 0.00 -0.02 0.00 0.00 41.12 38.38 3a18 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a18 s LEU 152 N -6.69 4.38 0.81 0.64 1.43 -1.26 -5.02 118.68 112.97 3a18 s LEU 152 Ca 0.26 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3a18 s LEU 152 Cb -0.09 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.67 3a18 s LEU 152 CO 0.87 -0.92 1.15 -2.16 0.23 0.00 0.00 176.35 175.52 3a18 s PRO 153 N 2.50 1.66 5.49 1.29 0.04 -1.26 -3.19 135.00 141.54 3a18 s PRO 153 Ca 0.76 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.56 3a18 s PRO 153 Cb -0.42 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3a18 s PRO 153 CO 0.33 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3a18 n GLY 154 N -3.28 2.50 0.26 0.56 0.00 -1.26 -2.73 105.19 101.24 3a18 n GLY 154 Ca 0.10 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.76 0.00 1.61 3.04 -2.00 -2.13 116.25 117.53 3a18 h VAL 155 Ca 0.00 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 3a18 h VAL 155 Cb 0.00 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3a18 h VAL 155 CO 0.00 0.09 -0.03 1.23 -1.01 0.00 0.00 177.57 177.85 3a18 h GLY 156 N 0.44 0.00 2.00 3.17 0.00 -1.80 -1.71 103.07 105.18 3a18 h GLY 156 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3a18 h GLY 156 CO 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.43 3a18 h ALA 157 N 1.97 1.19 -0.01 3.60 0.00 -1.34 -2.74 119.26 121.92 3a18 h ALA 157 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a18 h ALA 157 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a18 h ALA 157 CO 0.00 0.15 -0.51 1.33 0.00 0.00 0.00 179.25 180.23 3a18 n VAL 158 N -3.51 0.00 -1.77 0.00 0.24 -0.65 -4.94 118.33 107.70 3a18 n VAL 158 Ca -0.01 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.74 3a18 n VAL 158 Cb 0.27 1.20 0.19 0.00 -1.47 0.00 0.00 33.84 34.03 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 -2.37 0.34 0.14 7.34 -1.94 -1.04 -4.94 119.30 116.84 3a18 s MET 159 Ca 0.15 -0.32 0.12 0.00 -1.71 0.00 0.00 55.69 53.93 3a18 s MET 159 Cb 0.16 -1.80 -0.11 0.00 2.01 0.00 0.00 34.83 35.09 3a18 s MET 159 CO 0.56 -2.63 1.19 -0.44 -0.01 0.00 0.00 175.02 173.69 3a18 h ASP 160 N -1.80 0.00 0.00 3.03 3.32 -0.63 -3.49 116.42 116.86 3a18 h ASP 160 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3a18 h ASP 160 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 3a18 h ASP 160 CO 0.39 0.77 0.00 0.61 -1.72 0.00 0.00 179.24 179.28 3a18 n GLY 161 N 1.34 -0.64 3.60 2.75 0.00 -0.81 -5.00 105.19 106.43 3a18 n GLY 161 Ca -0.03 -0.78 -0.32 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 3.62 0.94 -0.61 1.10 -1.26 -0.38 121.20 121.61 3a18 s ILE 162 Ca 0.00 -0.87 -0.15 0.00 -0.51 0.00 0.00 60.65 59.12 3a18 s ILE 162 Cb 0.00 -2.60 0.19 0.00 0.15 0.00 0.00 42.46 40.20 3a18 s ILE 162 CO 0.00 0.33 1.30 -0.94 -2.11 0.00 0.00 174.94 173.52 3a18 s SER 163 N -1.61 3.23 0.84 4.50 1.04 -0.28 -4.80 113.70 116.63 3a18 s SER 163 Ca 0.18 0.26 -0.02 0.00 0.48 0.00 0.00 55.95 56.85 3a18 s SER 163 Cb -0.11 -0.33 0.04 0.00 0.10 0.00 0.00 66.02 65.72 3a18 s SER 163 CO 0.09 -2.66 0.24 0.61 0.98 0.00 0.00 173.24 172.51 3a18 n GLY 164 N -3.70 -0.65 3.73 7.32 0.00 -1.26 -4.76 105.19 105.87 3a18 n GLY 164 Ca 0.15 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.38 4.19 0.17 1.61 2.02 -1.26 -4.56 118.70 117.49 3a18 s GLU 165 Ca 0.14 2.43 0.04 0.00 0.02 0.00 0.00 54.97 57.60 3a18 s GLU 165 Cb -0.00 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 3a18 s GLU 165 CO 0.10 -0.62 0.25 0.96 0.02 0.00 0.00 175.26 175.97 3a18 s ILE 166 N 0.89 5.06 -0.05 -1.63 -4.36 -0.97 -3.40 121.20 116.73 3a18 s ILE 166 Ca 0.69 -0.86 -0.16 0.00 -0.26 0.00 0.00 60.65 60.06 3a18 s ILE 166 Cb -0.45 -3.63 -0.31 0.00 1.25 0.00 0.00 42.46 39.32 3a18 s ILE 166 CO 0.35 -0.14 0.75 -1.13 0.24 0.00 0.00 174.94 175.01 3a18 h ASN 167 N 2.05 0.57 -0.19 4.36 -0.73 -1.62 -3.42 115.58 116.59 3a18 h ASN 167 Ca -0.49 -0.91 -0.71 0.00 1.87 0.00 0.00 56.30 56.06 3a18 h ASN 167 Cb 1.20 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 39.57 3a18 h ASN 167 CO 0.66 1.64 3.19 -0.62 -0.37 0.00 0.00 177.43 181.93 3a18 n GLU 168 N -3.83 3.24 -3.70 6.67 4.71 -1.26 -4.55 120.64 121.92 3a18 n GLU 168 Ca -0.21 -2.63 -0.10 0.00 -0.01 0.00 0.00 57.16 54.22 3a18 n GLU 168 Cb 0.98 -3.09 -0.03 0.00 -1.01 0.00 0.00 31.44 28.29 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 2.44 -0.23 0.00 -0.32 -3.43 -1.26 -4.66 115.29 107.82 3a18 s HIS 169 Ca 0.53 -0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.68 3a18 s HIS 169 Cb 0.15 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.81 3a18 s HIS 169 CO -0.07 -0.99 0.00 0.41 -2.00 0.00 0.00 174.74 172.09 3a18 n GLY 170 N -0.38 0.96 3.28 -1.38 0.00 -1.26 -4.64 105.19 101.77 3a18 n GLY 170 Ca -0.10 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 -0.31 0.20 1.61 1.13 -1.26 -4.97 117.35 111.76 3a18 s TYR 171 Ca 0.00 0.59 -0.32 0.00 -1.41 0.00 0.00 57.07 55.94 3a18 s TYR 171 Cb 0.00 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.89 3a18 s TYR 171 CO 0.00 -0.36 1.68 -1.58 -2.51 0.00 0.00 175.55 172.78 3a18 s TRP 172 N -0.86 2.94 0.00 -3.49 0.52 -1.26 -1.32 118.94 115.48 3a18 s TRP 172 Ca -0.09 0.42 0.00 0.00 0.02 0.00 0.00 56.10 56.44 3a18 s TRP 172 Cb -0.04 -4.09 0.00 0.00 -1.15 0.00 0.00 33.47 28.19 3a18 s TRP 172 CO 0.04 -4.09 0.00 0.41 0.02 0.00 0.00 176.95 173.32 3a18 n GLY 173 N 3.90 0.14 0.28 0.98 0.00 -1.26 -4.97 105.19 104.26 3a18 n GLY 173 Ca 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 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 0.99 -0.41 1.61 4.64 -1.53 -2.95 113.55 115.90 3a18 h SER 174 Ca 0.00 -0.39 0.09 0.00 -0.47 0.00 0.00 61.79 61.02 3a18 h SER 174 Cb 0.00 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 61.72 3a18 h SER 174 CO 0.00 1.18 -0.25 -0.03 -0.87 0.00 0.00 176.83 176.85 3a18 h MET 175 N 0.83 -0.17 -0.77 4.77 -1.53 -1.83 -0.99 114.93 115.23 3a18 h MET 175 Ca 0.10 0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.47 3a18 h MET 175 Cb 0.82 0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.83 3a18 h MET 175 CO 0.07 -0.12 0.42 -0.09 0.14 0.00 0.00 176.91 177.33 3a18 h ARG 176 N -0.18 0.69 0.00 0.39 2.43 -1.95 -1.88 114.38 113.88 3a18 h ARG 176 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a18 h ARG 176 Cb 0.49 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3a18 h ARG 176 CO -0.52 0.45 0.00 0.39 -1.51 0.00 0.00 179.97 178.79 3a18 n GLU 177 N -4.79 0.18 0.08 0.20 1.02 -0.46 -2.04 120.64 114.83 3a18 n GLU 177 Ca 0.12 0.43 0.12 0.00 -0.02 0.00 0.00 57.16 57.82 3a18 n GLU 177 Cb 0.27 -1.86 0.15 0.00 -0.02 0.00 0.00 31.44 29.98 3a18 n GLU 177 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a18 h ARG 178 N 0.00 0.00 -6.20 3.49 3.08 -0.49 -3.44 114.38 110.82 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 0.33 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 3a18 h ARG 178 CO 0.00 0.00 0.98 -0.06 -1.07 0.00 0.00 179.97 179.82 3a18 s PHE 179 N -3.20 2.47 0.47 3.04 0.40 -0.87 -4.60 117.98 115.69 3a18 s PHE 179 Ca 0.05 0.66 0.16 0.00 -0.60 0.00 0.00 56.93 57.20 3a18 s PHE 179 Cb 0.12 -3.69 1.14 0.00 0.51 0.00 0.00 43.02 41.11 3a18 s PHE 179 CO 0.72 -2.61 2.03 -1.35 0.70 0.00 0.00 175.22 174.72 3a18 h PRO 180 N 8.82 0.24 0.00 0.24 0.11 -1.79 -1.68 132.00 137.93 3a18 h PRO 180 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3a18 h PRO 180 Cb 1.13 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a18 h PRO 180 CO 0.97 0.16 0.00 0.97 -0.21 0.00 0.00 178.00 179.88 3a18 h ILE 181 N 0.24 0.00 0.00 4.15 2.10 -1.62 -2.57 117.51 119.82 3a18 h ILE 181 Ca 0.19 -0.34 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3a18 h ILE 181 Cb 0.44 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3a18 h ILE 181 CO -0.04 0.00 0.00 0.77 -1.08 0.00 0.00 178.15 177.80 3a18 h SER 182 N 0.00 0.00 0.51 2.19 4.64 -1.44 0.25 113.55 119.69 3a18 h SER 182 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3a18 h SER 182 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3a18 h SER 182 CO 0.00 0.00 -0.11 1.56 -0.87 0.00 0.00 176.83 177.41 3a18 h GLN 183 N 0.00 0.00 0.00 4.77 4.20 -1.64 -3.37 115.11 119.06 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 0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3a18 h GLN 183 CO 0.00 0.11 -0.06 0.25 -0.67 0.00 0.00 178.83 178.46 3a18 n THR 184 N -3.48 0.00 -4.45 -0.54 -2.24 -0.60 -1.45 114.28 101.52 3a18 n THR 184 Ca -0.01 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.55 3a18 n THR 184 Cb 0.26 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.17 1.26 0.11 3.42 -1.08 0.76 -4.79 116.67 116.19 3a18 s ASP 185 Ca 0.00 -0.20 0.24 0.00 -0.52 0.00 0.00 52.55 52.06 3a18 s ASP 185 Cb 0.00 -0.14 0.93 0.00 -1.46 0.00 0.00 42.92 42.26 3a18 s ASP 185 CO 0.00 0.12 1.74 0.79 0.52 0.00 0.00 175.17 178.35 3a18 n TRP 186 N 2.78 0.43 -3.88 -5.34 7.02 -1.26 -4.06 117.44 113.13 3a18 n TRP 186 Ca -0.14 0.14 -0.26 0.00 -1.02 0.00 0.00 57.50 56.23 3a18 n TRP 186 Cb 0.56 -0.73 0.01 0.00 -2.42 0.00 0.00 31.31 28.73 3a18 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a18 n MET 187 N -1.87 -4.35 -2.63 -0.99 2.81 -1.26 -4.91 117.12 103.93 3a18 n MET 187 Ca 0.05 0.52 -0.42 0.00 -1.81 0.00 0.00 57.70 56.04 3a18 n MET 187 Cb 0.31 -5.02 -0.03 0.00 -0.71 0.00 0.00 33.22 27.76 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 -6.39 4.57 0.31 0.03 0.74 -1.26 -4.63 119.66 113.03 3a18 s GLN 188 Ca 0.21 1.54 -0.29 0.00 0.05 0.00 0.00 55.36 56.87 3a18 s GLN 188 Cb -0.11 -3.39 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 3a18 s GLN 188 CO 0.85 -0.01 1.16 0.00 -0.55 0.00 0.00 175.29 176.74 3a18 s ALA 189 N 0.60 3.40 0.14 1.58 0.00 -1.26 -4.61 121.76 121.60 3a18 s ALA 189 Ca 0.52 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 3a18 s ALA 189 Cb -0.24 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3a18 s ALA 189 CO 0.30 -0.32 0.38 -1.54 0.00 0.00 0.00 175.76 174.57 3a18 s SER 190 N -0.82 -0.15 0.00 0.00 1.04 -1.18 -5.05 113.70 107.54 3a18 s SER 190 Ca 0.47 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.44 3a18 s SER 190 Cb -0.34 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3a18 s SER 190 CO 0.43 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.39 3a18 n GLY 191 N -0.22 -2.70 3.36 7.32 0.00 -1.26 -2.97 105.19 108.71 3a18 n GLY 191 Ca -0.14 -1.66 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 3a18 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a18 s GLU 192 N -0.93 1.34 -0.28 1.61 8.01 -1.26 -4.93 118.70 122.26 3a18 s GLU 192 Ca 0.00 -1.47 -0.29 0.00 0.01 0.00 0.00 54.97 53.22 3a18 s GLU 192 Cb 0.00 -1.40 -0.02 0.00 -4.31 0.00 0.00 34.13 28.40 3a18 s GLU 192 CO 0.00 0.28 1.57 -1.17 0.01 0.00 0.00 175.26 175.95 3a18 s LEU 193 N -2.81 3.78 -0.06 1.80 2.96 -1.26 -4.24 118.68 118.85 3a18 s LEU 193 Ca 0.18 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.53 3a18 s LEU 193 Cb -0.05 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3a18 s LEU 193 CO 0.08 -1.34 -0.23 -0.13 -1.32 0.00 0.00 176.35 173.41 3a18 s ARG 194 N 4.81 2.53 -0.10 1.98 0.52 -0.53 -0.10 118.95 128.06 3a18 s ARG 194 Ca 0.69 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3a18 s ARG 194 Cb -0.22 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 3a18 s ARG 194 CO 0.30 0.31 1.27 0.08 0.02 0.00 0.00 175.30 177.28 3a18 s VAL 195 N -0.01 4.18 -0.44 3.52 1.01 -0.16 -0.26 120.40 128.24 3a18 s VAL 195 Ca -0.07 1.48 0.10 0.00 0.00 0.00 0.00 61.98 63.49 3a18 s VAL 195 Cb -0.14 -3.95 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 3a18 s VAL 195 CO 0.05 -0.06 0.41 2.30 0.00 0.00 0.00 175.10 177.80 3a18 n ILE 196 N 4.98 0.00 -3.67 2.22 -5.35 0.22 -4.29 119.36 113.46 3a18 n ILE 196 Ca 0.13 -0.26 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 3a18 n ILE 196 Cb 0.45 0.95 -0.08 0.00 -1.74 0.00 0.00 39.64 39.22 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 -2.00 -1.45 0.00 -1.28 0.00 -1.16 -4.98 121.76 110.90 3a18 s ALA 197 Ca 0.03 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3a18 s ALA 197 Cb 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 22.18 3a18 s ALA 197 CO 0.41 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.29 3a18 n GLY 198 N 3.18 -1.95 3.04 0.00 0.00 -1.26 -1.02 105.19 107.19 3a18 n GLY 198 Ca -0.16 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 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 0.29 0.49 1.61 -1.08 -1.26 -4.93 116.67 107.78 3a18 s ASP 199 Ca 0.00 0.59 0.22 0.00 -0.52 0.00 0.00 52.55 52.84 3a18 s ASP 199 Cb 0.00 0.86 1.25 0.00 -1.46 0.00 0.00 42.92 43.57 3a18 s ASP 199 CO 0.00 -0.25 1.95 -0.65 0.52 0.00 0.00 175.17 176.74 3a18 h PRO 200 N 8.26 0.18 0.00 4.34 0.11 -1.92 -0.92 132.00 142.04 3a18 h PRO 200 Ca -0.15 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3a18 h PRO 200 Cb 1.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a18 h PRO 200 CO 0.15 0.12 -0.14 0.00 -0.21 0.00 0.00 178.00 177.92 3a18 h ALA 201 N 1.68 1.04 0.00 -0.75 0.00 -1.96 -3.09 119.26 116.18 3a18 h ALA 201 Ca 0.32 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3a18 h ALA 201 Cb 1.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3a18 h ALA 201 CO -0.05 0.18 -1.53 0.28 0.00 0.00 0.00 179.25 178.13 3a18 n VAL 202 N -3.31 0.56 -4.08 0.00 0.31 -0.39 -5.08 118.33 106.35 3a18 n VAL 202 Ca 0.00 -0.58 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3a18 n VAL 202 Cb 0.37 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.29 -0.20 7.00 2.92 0.00 -0.99 -5.03 105.19 110.18 3a18 n GLY 203 Ca -0.06 -1.06 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 1.36 3.67 -0.02 0.00 -1.26 -4.59 105.19 104.34 3a18 n GLY 204 Ca 0.00 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 4.25 -0.04 1.61 0.52 -1.26 -1.45 118.95 122.58 3a18 s ARG 205 Ca 0.00 0.75 0.04 0.00 -0.52 0.00 0.00 55.73 56.00 3a18 s ARG 205 Cb 0.00 -3.57 -0.00 0.00 0.52 0.00 0.00 34.95 31.90 3a18 s ARG 205 CO 0.00 -0.24 -0.15 0.08 0.02 0.00 0.00 175.30 175.00 3a18 s VAL 206 N 1.90 1.29 -0.16 3.52 1.01 -0.19 -4.26 120.40 123.51 3a18 s VAL 206 Ca 0.32 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3a18 s VAL 206 Cb -0.16 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.12 3a18 s VAL 206 CO 0.11 0.38 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 3a18 s VAL 207 N 0.09 1.97 -0.13 2.92 1.01 -0.19 -1.32 120.40 124.75 3a18 s VAL 207 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 3a18 s VAL 207 Cb -0.11 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 3a18 s VAL 207 CO 0.02 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 3a18 s VAL 208 N 1.17 3.32 -0.15 2.92 1.01 0.80 -0.61 120.40 128.85 3a18 s VAL 208 Ca 0.01 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 3a18 s VAL 208 Cb -0.14 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 3a18 s VAL 208 CO -0.09 0.52 0.09 -0.60 0.00 0.00 0.00 175.10 175.01 3a18 s ARG 209 N 0.27 3.72 0.97 2.72 3.52 0.64 -1.84 118.95 128.95 3a18 s ARG 209 Ca -0.07 -0.27 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 3a18 s ARG 209 Cb -0.15 -3.18 0.18 0.00 -1.56 0.00 0.00 34.95 30.24 3a18 s ARG 209 CO 0.05 0.48 1.19 0.20 -0.81 0.00 0.00 175.30 176.41 3a18 s GLY 210 N -0.20 1.64 0.31 8.12 0.00 -1.26 -1.45 107.32 114.47 3a18 s GLY 210 Ca 0.09 -0.82 0.10 0.00 0.00 0.00 0.00 44.72 44.09 3a18 s GLY 210 CO 0.01 -0.15 -0.07 -2.38 0.00 0.00 0.00 173.10 170.52 3a18 s HIS 211 N -3.45 2.48 -0.03 1.90 -3.43 -1.26 -4.64 115.29 106.86 3a18 s HIS 211 Ca 0.68 -0.38 -0.39 0.00 -0.80 0.00 0.00 55.06 54.17 3a18 s HIS 211 Cb -0.10 -1.29 -0.18 0.00 -1.43 0.00 0.00 32.58 29.58 3a18 s HIS 211 CO 0.53 0.59 1.31 -0.25 -2.00 0.00 0.00 174.74 174.91 3a18 n ASP 212 N -0.83 1.09 -2.85 7.38 8.00 -1.16 -2.76 116.55 125.44 3a18 n ASP 212 Ca -0.05 1.13 -0.21 0.00 0.71 0.00 0.00 54.79 56.38 3a18 n ASP 212 Cb 0.61 -1.06 0.04 0.00 -0.02 0.00 0.00 41.12 40.69 3a18 n ASP 212 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a18 n ASN 213 N 2.57 -5.81 -4.77 -2.24 3.02 0.97 -3.10 115.26 105.90 3a18 n ASN 213 Ca 0.21 -0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.06 3a18 n ASN 213 Cb 0.12 -4.61 -0.00 0.00 -0.61 0.00 0.00 39.78 34.68 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 -3.15 2.25 -0.02 2.41 1.01 -1.11 -4.09 121.20 118.50 3a18 s ILE 214 Ca 0.31 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.23 3a18 s ILE 214 Cb -0.14 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3a18 s ILE 214 CO 0.38 0.05 -0.08 0.00 0.00 0.00 0.00 174.94 175.30 3a18 s ALA 215 N -1.15 2.97 -0.13 9.38 0.00 -0.70 -2.87 121.76 129.26 3a18 s ALA 215 Ca 0.54 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3a18 s ALA 215 Cb -0.44 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3a18 s ALA 215 CO 0.59 0.60 -0.18 -1.17 0.00 0.00 0.00 175.76 175.59 3a18 s LEU 216 N -1.18 1.92 -0.15 0.00 2.96 -0.37 0.19 118.68 122.05 3a18 s LEU 216 Ca 0.15 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3a18 s LEU 216 Cb -0.11 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3a18 s LEU 216 CO 0.05 0.03 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.54 3a18 s ILE 217 N 1.01 3.68 -0.32 6.68 2.07 0.49 -1.47 121.20 133.34 3a18 s ILE 217 Ca -0.04 -0.43 -0.05 0.00 -1.41 0.00 0.00 60.65 58.72 3a18 s ILE 217 Cb -0.15 -2.60 0.04 0.00 0.13 0.00 0.00 42.46 39.88 3a18 s ILE 217 CO -0.04 0.49 0.06 -0.60 -1.91 0.00 0.00 174.94 172.94 3a18 s ARG 218 N 0.44 2.55 -0.22 3.50 3.52 -0.21 -0.90 118.95 127.63 3a18 s ARG 218 Ca -0.05 -1.21 0.00 0.00 -0.13 0.00 0.00 55.73 54.34 3a18 s ARG 218 Cb -0.15 -3.35 0.03 0.00 -1.56 0.00 0.00 34.95 29.93 3a18 s ARG 218 CO 0.03 -0.64 -0.13 0.45 -0.81 0.00 0.00 175.30 174.20 3a18 s SER 219 N 1.34 3.78 0.26 -2.12 0.15 -0.96 -0.73 113.70 115.43 3a18 s SER 219 Ca -0.03 -0.82 0.10 0.00 0.70 0.00 0.00 55.95 55.90 3a18 s SER 219 Cb -0.20 -1.56 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 3a18 s SER 219 CO 0.01 -0.07 -0.07 -0.83 1.20 0.00 0.00 173.24 173.48 3a18 s GLY 220 N 1.28 1.73 -0.03 9.45 0.00 -0.04 -0.77 107.32 118.95 3a18 s GLY 220 Ca 0.01 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.06 3a18 s GLY 220 CO -0.08 -1.76 -0.09 1.20 0.00 0.00 0.00 173.10 172.37 3a18 s GLN 221 N -3.50 1.03 -0.20 2.90 1.11 -0.30 -2.59 119.66 118.11 3a18 s GLN 221 Ca 0.30 -0.30 -0.03 0.00 0.01 0.00 0.00 55.36 55.34 3a18 s GLN 221 Cb -0.06 -0.95 0.06 0.00 -1.01 0.00 0.00 33.01 31.05 3a18 s GLN 221 CO 0.18 0.09 0.05 0.34 0.01 0.00 0.00 175.29 175.96 3a18 s ASP 222 N 0.30 2.93 -0.07 5.90 -1.08 0.68 -0.65 116.67 124.67 3a18 s ASP 222 Ca -0.05 -0.86 0.11 0.00 -0.52 0.00 0.00 52.55 51.23 3a18 s ASP 222 Cb -0.10 -0.55 0.26 0.00 -1.46 0.00 0.00 42.92 41.07 3a18 s ASP 222 CO 0.01 -0.32 1.18 -2.67 0.52 0.00 0.00 175.17 173.89 3a18 n TRP 223 N 5.08 0.29 0.28 -5.34 2.14 -0.65 -0.64 117.44 118.60 3a18 n TRP 223 Ca -0.08 -0.72 0.12 0.00 2.07 0.00 0.00 57.50 58.88 3a18 n TRP 223 Cb 0.47 -0.13 0.78 0.00 -0.81 0.00 0.00 31.31 31.62 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 0.80 1.72 -0.16 -1.67 0.00 -1.80 -2.71 119.26 115.44 3a18 h ALA 224 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a18 h ALA 224 Cb 0.89 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3a18 h ALA 224 CO 0.05 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 3a18 n ASP 225 N -4.15 2.27 -4.77 0.00 8.00 -1.26 -5.01 116.55 111.63 3a18 n ASP 225 Ca -0.03 -1.75 -0.38 0.00 0.71 0.00 0.00 54.79 53.34 3a18 n ASP 225 Cb 0.10 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 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 -0.87 3.15 0.93 2.24 0.00 -1.02 -4.96 121.76 121.24 3a18 s ALA 226 Ca 0.13 0.87 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3a18 s ALA 226 Cb 0.08 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 20.01 3a18 s ALA 226 CO 0.10 -0.38 1.14 -1.21 0.00 0.00 0.00 175.76 175.41 3a18 s GLU 227 N -2.28 0.97 0.29 0.00 0.41 -1.26 -4.73 118.70 112.10 3a18 s GLU 227 Ca 0.56 0.28 0.03 0.00 -0.41 0.00 0.00 54.97 55.43 3a18 s GLU 227 Cb -0.28 -1.82 0.67 0.00 -1.78 0.00 0.00 34.13 30.92 3a18 s GLU 227 CO 0.35 -2.31 1.74 0.00 -0.49 0.00 0.00 175.26 174.55 3a18 h ALA 228 N -1.58 1.45 -0.14 5.21 0.00 -1.99 -0.67 119.26 121.54 3a18 h ALA 228 Ca -0.51 0.11 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 3a18 h ALA 228 Cb 1.33 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.16 3a18 h ALA 228 CO 0.60 -0.19 -0.77 0.38 0.00 0.00 0.00 179.25 179.27 3a18 h ASP 229 N 0.57 0.84 -0.13 0.00 2.03 -1.96 -2.42 116.42 115.34 3a18 h ASP 229 Ca 0.54 -0.55 -0.19 0.00 -0.73 0.00 0.00 57.03 56.09 3a18 h ASP 229 Cb 0.89 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 3a18 h ASP 229 CO -0.43 1.34 -0.63 -0.08 -1.03 0.00 0.00 179.24 178.41 3a18 h GLU 230 N 0.48 0.75 -0.29 4.15 4.81 -1.68 -2.07 114.58 120.73 3a18 h GLU 230 Ca -0.05 -0.52 0.06 0.00 -0.13 0.00 0.00 59.36 58.73 3a18 h GLU 230 Cb 1.39 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.78 3a18 h GLU 230 CO 0.15 1.14 -0.14 0.00 -0.73 0.00 0.00 179.01 179.43 3a18 h ARG 231 N 0.55 -0.10 -0.69 1.92 3.08 -1.13 -0.49 114.38 117.53 3a18 h ARG 231 Ca -0.01 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3a18 h ARG 231 Cb 1.22 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3a18 h ARG 231 CO 0.13 -0.07 0.23 0.77 -1.07 0.00 0.00 179.97 179.96 3a18 h SER 232 N -0.11 0.96 -0.64 7.04 0.02 -1.38 0.24 113.55 119.70 3a18 h SER 232 Ca 0.15 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3a18 h SER 232 Cb 0.33 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 3a18 h SER 232 CO -0.35 0.89 0.37 -0.07 -1.14 0.00 0.00 176.83 176.53 3a18 h LEU 233 N 1.01 0.78 0.00 5.07 3.38 -0.99 0.66 115.31 125.21 3a18 h LEU 233 Ca 0.23 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3a18 h LEU 233 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3a18 h LEU 233 CO -0.01 0.62 -0.00 0.22 0.09 0.00 0.00 178.44 179.36 3a18 h TYR 234 N 0.87 -0.00 0.00 1.13 3.20 -0.70 -2.00 116.97 119.47 3a18 h TYR 234 Ca 0.23 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.99 3a18 h TYR 234 Cb -0.00 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3a18 h TYR 234 CO -0.01 0.46 -0.51 -0.07 -1.64 0.00 0.00 178.16 176.38 3a18 h LEU 235 N -0.46 0.00 0.00 2.82 3.38 -0.46 0.30 115.31 120.88 3a18 h LEU 235 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3a18 h LEU 235 Cb 0.46 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3a18 h LEU 235 CO 0.00 0.51 -2.22 0.47 0.09 0.00 0.00 178.44 177.29 3a18 n ASP 236 N -3.74 0.60 -0.04 -0.43 8.00 0.22 -4.37 116.55 116.79 3a18 n ASP 236 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.46 3a18 n ASP 236 Cb 0.56 0.95 -0.08 0.00 -0.02 0.00 0.00 41.12 42.53 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 -2.66 2.07 -0.12 -1.24 -0.58 -0.78 -4.65 120.64 112.69 3a18 n GLU 237 Ca -0.29 -0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.21 3a18 n GLU 237 Cb 1.08 -1.25 -0.07 0.00 -0.57 0.00 0.00 31.44 30.62 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 -2.28 1.51 -0.20 -3.67 5.41 -0.86 -4.60 119.36 114.68 3a18 n ILE 238 Ca -0.13 -0.20 -0.00 0.00 1.00 0.00 0.00 62.75 63.41 3a18 n ILE 238 Cb 0.72 -2.04 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 -0.99 0.18 -0.78 1.39 5.85 -0.65 -1.68 115.31 118.63 3a18 h LEU 239 Ca -0.46 0.08 0.14 0.00 0.84 0.00 0.00 57.88 58.49 3a18 h LEU 239 Cb 1.40 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.41 3a18 h LEU 239 CO -0.28 0.11 0.33 -0.65 -0.34 0.00 0.00 178.44 177.62 3a18 h PRO 240 N 0.37 0.47 -0.21 5.25 0.11 -1.83 0.48 132.00 136.65 3a18 h PRO 240 Ca 0.30 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 3a18 h PRO 240 Cb 0.39 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 3a18 h PRO 240 CO -0.32 0.31 -0.59 1.79 -0.21 0.00 0.00 178.00 178.98 3a18 h THR 241 N 0.48 1.31 -0.23 -1.15 1.35 -1.64 -1.26 112.91 111.77 3a18 h THR 241 Ca 0.43 -1.83 -0.01 0.00 -0.55 0.00 0.00 66.41 64.46 3a18 h THR 241 Cb 0.64 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3a18 h THR 241 CO -0.40 0.58 0.12 0.25 -0.25 0.00 0.00 175.52 175.82 3a18 h LEU 242 N 0.51 0.28 -0.83 3.87 5.85 -0.67 -1.65 115.31 122.68 3a18 h LEU 242 Ca -0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3a18 h LEU 242 Cb 1.17 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3a18 h LEU 242 CO 0.12 0.30 0.54 -0.61 -0.34 0.00 0.00 178.44 178.45 3a18 h GLN 243 N 0.25 1.07 -0.69 1.25 5.75 0.05 -0.40 115.11 122.39 3a18 h GLN 243 Ca 0.08 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3a18 h GLN 243 Cb 0.08 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3a18 h GLN 243 CO -0.01 0.71 0.42 1.03 -2.65 0.00 0.00 178.83 178.33 3a18 h SER 244 N 1.10 0.82 -0.58 -0.69 0.87 -1.06 -0.87 113.55 113.14 3a18 h SER 244 Ca 0.31 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3a18 h SER 244 Cb -0.09 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3a18 h SER 244 CO -0.08 0.63 -0.04 1.23 -0.53 0.00 0.00 176.83 178.05 3a18 h GLY 245 N 0.94 1.14 1.01 5.77 0.00 -0.67 -1.93 103.07 109.32 3a18 h GLY 245 Ca 0.25 -0.86 -0.09 0.00 0.00 0.00 0.00 47.33 46.62 3a18 h GLY 245 CO -0.05 0.79 -0.07 -0.33 0.00 0.00 0.00 176.54 176.89 3a18 h MET 246 N 0.94 0.85 -0.75 4.80 2.07 -0.88 -1.89 114.93 120.07 3a18 h MET 246 Ca 0.16 -0.31 0.02 0.00 -2.07 0.00 0.00 59.70 57.50 3a18 h MET 246 Cb 0.60 -0.06 -0.04 0.00 -1.87 0.00 0.00 31.60 30.23 3a18 h MET 246 CO 0.04 0.94 0.49 -0.44 1.07 0.00 0.00 176.91 179.00 3a18 h ASP 247 N 0.69 0.82 0.05 1.22 3.32 -1.11 -0.22 116.42 121.20 3a18 h ASP 247 Ca 0.12 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3a18 h ASP 247 Cb 0.60 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3a18 h ASP 247 CO 0.04 0.58 -0.08 0.15 -1.72 0.00 0.00 179.24 178.21 3a18 h PHE 248 N 0.97 -0.20 -0.63 4.55 3.57 -1.04 -1.08 116.94 123.07 3a18 h PHE 248 Ca 0.29 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 3a18 h PHE 248 Cb -0.05 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3a18 h PHE 248 CO -0.03 -0.12 0.14 -0.07 -2.23 0.00 0.00 178.31 175.99 3a18 h LEU 249 N -0.16 0.97 -1.38 0.59 3.38 -1.23 0.13 115.31 117.61 3a18 h LEU 249 Ca 0.01 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.80 3a18 h LEU 249 Cb 0.17 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 3a18 h LEU 249 CO -0.04 0.96 0.47 -0.09 0.09 0.00 0.00 178.44 179.83 3a18 h ARG 250 N 0.94 0.75 -0.00 1.13 2.43 -0.83 -2.64 114.38 116.14 3a18 h ARG 250 Ca 0.20 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3a18 h ARG 250 Cb 0.38 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3a18 h ARG 250 CO 0.01 0.49 -0.36 -0.25 -1.51 0.00 0.00 179.97 178.35 3a18 n ASP 251 N -4.47 0.92 -1.41 -3.80 8.00 -0.43 -4.51 116.55 110.86 3a18 n ASP 251 Ca 0.10 -0.96 0.03 0.00 0.71 0.00 0.00 54.79 54.67 3a18 n ASP 251 Cb 0.20 0.72 0.07 0.00 -0.02 0.00 0.00 41.12 42.09 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 -0.71 1.36 0.09 -2.24 3.02 0.44 -4.95 115.26 112.28 3a18 n ASN 252 Ca 0.03 -2.54 -0.14 0.00 -0.03 0.00 0.00 54.58 51.90 3a18 n ASN 252 Cb 0.20 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.93 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 1.18 -0.76 1.32 7.41 0.00 -1.65 -2.86 103.07 107.72 3a18 h GLY 253 Ca -0.14 0.48 0.07 0.00 0.00 0.00 0.00 47.33 47.73 3a18 h GLY 253 CO 0.10 -0.26 0.30 -2.55 0.00 0.00 0.00 176.54 174.13 3a18 h PRO 254 N -0.60 0.29 -0.29 4.80 0.11 -1.89 0.78 132.00 135.20 3a18 h PRO 254 Ca 0.03 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 3a18 h PRO 254 Cb 0.65 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3a18 h PRO 254 CO -0.26 0.19 0.04 0.00 -0.21 0.00 0.00 178.00 177.76 3a18 h ALA 255 N 1.77 1.54 -0.00 -0.75 0.00 -1.88 -3.25 119.26 116.68 3a18 h ALA 255 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3a18 h ALA 255 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3a18 h ALA 255 CO -0.04 0.34 -0.37 1.33 0.00 0.00 0.00 179.25 180.51 3a18 n VAL 256 N -4.35 0.00 -0.83 0.00 0.24 -0.76 -5.00 118.33 107.62 3a18 n VAL 256 Ca 0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3a18 n VAL 256 Cb 0.19 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.62 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 1.10 1.32 3.21 7.63 0.00 0.06 -4.78 105.19 113.73 3a18 n GLY 257 Ca 0.03 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 8.29 0.67 -2.40 0.00 0.05 -1.16 -3.36 116.97 119.06 3a18 h TYR 259 Ca -0.20 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 58.48 3a18 h TYR 259 Cb 1.07 -0.20 -0.24 0.00 1.01 0.00 0.00 36.73 38.37 3a18 h TYR 259 CO 0.60 0.55 -0.16 0.45 -1.05 0.00 0.00 178.16 178.55 3a18 s SER 260 N -6.64 -0.67 -0.10 3.88 0.15 -1.11 -4.71 113.70 104.49 3a18 s SER 260 Ca -0.09 1.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.69 3a18 s SER 260 Cb 0.16 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3a18 s SER 260 CO 0.77 -0.21 -0.05 0.21 1.20 0.00 0.00 173.24 175.16 3a18 s ASN 261 N 1.33 2.05 -0.06 5.45 2.47 -1.26 -1.04 114.94 123.87 3a18 s ASN 261 Ca -0.08 -0.26 0.05 0.00 0.42 0.00 0.00 52.86 52.99 3a18 s ASN 261 Cb -0.07 -0.73 -0.01 0.00 -1.45 0.00 0.00 41.25 38.99 3a18 s ASN 261 CO -0.13 -0.14 -0.23 -0.13 -3.72 0.00 0.00 177.10 172.74 3a18 s ARG 262 N 1.78 2.58 -0.31 0.43 0.52 -0.19 -4.60 118.95 119.16 3a18 s ARG 262 Ca 0.05 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3a18 s ARG 262 Cb -0.13 -2.21 0.07 0.00 0.52 0.00 0.00 34.95 33.20 3a18 s ARG 262 CO -0.07 0.41 0.00 0.12 0.02 0.00 0.00 175.30 175.78 3a18 s PHE 263 N -0.22 3.41 0.22 -0.53 5.36 -1.26 -0.73 117.98 124.22 3a18 s PHE 263 Ca -0.01 -2.30 0.10 0.00 -0.96 0.00 0.00 56.93 53.75 3a18 s PHE 263 Cb -0.13 -2.37 -0.04 0.00 -0.34 0.00 0.00 43.02 40.14 3a18 s PHE 263 CO 0.03 -0.88 -0.10 0.14 -1.46 0.00 0.00 175.22 172.96 3a18 s VAL 264 N 1.12 3.08 -0.10 3.12 -7.23 -0.05 -4.78 120.40 115.56 3a18 s VAL 264 Ca -0.01 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 3a18 s VAL 264 Cb -0.20 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3a18 s VAL 264 CO -0.04 -0.24 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.72 3a18 s ARG 265 N -3.19 3.08 0.45 4.82 6.06 0.06 -1.43 118.95 128.79 3a18 s ARG 265 Ca 0.27 -0.79 -0.25 0.00 -2.50 0.00 0.00 55.73 52.47 3a18 s ARG 265 Cb -0.07 -2.42 -0.08 0.00 0.06 0.00 0.00 34.95 32.44 3a18 s ARG 265 CO 0.16 0.26 1.34 -0.80 -2.50 0.00 0.00 175.30 173.76 3a18 s ASN 266 N 0.19 5.99 0.13 -2.12 -0.87 -0.29 -0.27 114.94 117.71 3a18 s ASN 266 Ca -0.11 2.73 0.04 0.00 -1.57 0.00 0.00 52.86 53.94 3a18 s ASN 266 Cb -0.16 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.25 38.39 3a18 s ASN 266 CO 0.06 -1.08 -0.09 0.27 -2.57 0.00 0.00 177.10 173.70 3a18 s ILE 267 N -1.27 1.02 0.70 0.60 -4.36 0.21 0.41 121.20 118.50 3a18 s ILE 267 Ca 0.61 -1.99 -0.11 0.00 -0.26 0.00 0.00 60.65 58.91 3a18 s ILE 267 Cb -0.39 -1.76 0.16 0.00 1.25 0.00 0.00 42.46 41.72 3a18 s ILE 267 CO 0.50 -0.76 0.95 -0.90 0.24 0.00 0.00 174.94 174.97 3a18 n ASP 268 N -0.08 0.20 0.34 4.36 5.68 -0.31 -4.42 116.55 122.31 3a18 n ASP 268 Ca -0.11 -1.42 0.23 0.00 -0.50 0.00 0.00 54.79 52.98 3a18 n ASP 268 Cb 0.60 -0.72 1.20 0.00 -1.14 0.00 0.00 41.12 41.06 3a18 n ASP 268 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3a18 h ILE 269 N -1.43 0.01 -0.16 2.12 6.09 -1.98 -2.09 117.51 120.07 3a18 h ILE 269 Ca -0.31 -0.03 0.00 0.00 -1.37 0.00 0.00 64.86 63.15 3a18 h ILE 269 Cb 0.88 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.20 3a18 h ILE 269 CO 0.23 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.78 3a18 n ASP 270 N -3.09 2.97 0.00 2.19 8.00 -1.26 -4.83 116.55 120.53 3a18 n ASP 270 Ca -0.03 -1.91 0.00 0.00 0.71 0.00 0.00 54.79 53.57 3a18 n ASP 270 Cb 0.08 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.24 0.76 3.73 0.44 0.00 -0.79 -5.05 105.19 105.52 3a18 n GLY 271 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.18 7.28 0.35 1.61 0.01 -1.26 -4.81 114.94 115.95 3a18 s ASN 272 Ca 0.00 2.04 -0.28 0.00 -0.71 0.00 0.00 52.86 53.91 3a18 s ASN 272 Cb 0.00 -2.60 -0.10 0.00 0.41 0.00 0.00 41.25 38.96 3a18 s ASN 272 CO 0.00 -0.22 1.31 -0.36 -1.51 0.00 0.00 177.10 176.31 3a18 s PHE 273 N -0.07 2.97 0.27 2.20 0.08 -1.26 -1.17 117.98 121.00 3a18 s PHE 273 Ca 0.50 1.41 0.08 0.00 0.12 0.00 0.00 56.93 59.03 3a18 s PHE 273 Cb -0.28 -3.68 -0.04 0.00 -0.57 0.00 0.00 43.02 38.45 3a18 s PHE 273 CO 0.34 -1.94 0.17 -0.51 -0.10 0.00 0.00 175.22 173.17 3a18 s LEU 274 N -2.00 3.65 -0.82 -0.37 1.43 0.16 -4.85 118.68 115.89 3a18 s LEU 274 Ca 0.51 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 3a18 s LEU 274 Cb -0.39 -2.19 0.07 0.00 0.03 0.00 0.00 46.19 43.71 3a18 s LEU 274 CO 0.52 -0.08 2.64 0.47 0.23 0.00 0.00 176.35 180.13 3a18 n ASP 275 N -1.15 7.13 -3.94 2.29 8.00 -1.26 -4.41 116.55 123.21 3a18 n ASP 275 Ca -0.07 -3.15 -0.10 0.00 0.71 0.00 0.00 54.79 52.18 3a18 n ASP 275 Cb 0.58 -1.30 -0.12 0.00 -0.02 0.00 0.00 41.12 40.27 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 -2.07 2.14 0.20 0.64 1.02 -1.26 -1.64 118.68 117.71 3a18 s LEU 276 Ca 0.57 -0.30 -0.04 0.00 0.02 0.00 0.00 54.13 54.38 3a18 s LEU 276 Cb 0.30 0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.52 3a18 s LEU 276 CO -0.16 -0.17 0.21 -0.94 0.02 0.00 0.00 176.35 175.31 3a18 s SER 277 N -0.87 0.11 0.02 2.29 1.04 0.17 -1.14 113.70 115.32 3a18 s SER 277 Ca -0.09 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 54.85 3a18 s SER 277 Cb -0.06 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.56 3a18 s SER 277 CO -0.01 -0.90 0.73 -0.72 0.98 0.00 0.00 173.24 173.33 3a18 s TYR 278 N -4.09 -0.52 0.19 5.02 1.13 -0.52 -1.15 117.35 117.41 3a18 s TYR 278 Ca 0.31 0.61 -0.29 0.00 -1.41 0.00 0.00 57.07 56.29 3a18 s TYR 278 Cb 0.05 0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 41.32 3a18 s TYR 278 CO 0.09 -0.64 0.91 1.21 -2.51 0.00 0.00 175.55 174.60 3a18 s ASN 279 N -1.97 7.55 -0.27 -0.18 3.04 0.05 -0.87 114.94 122.30 3a18 s ASN 279 Ca -0.03 1.84 0.03 0.00 0.04 0.00 0.00 52.86 54.74 3a18 s ASN 279 Cb -0.01 -2.58 0.07 0.00 -1.54 0.00 0.00 41.25 37.19 3a18 s ASN 279 CO -0.03 0.11 -0.07 -0.63 -3.04 0.00 0.00 177.10 173.44 3a18 s ILE 280 N -0.85 2.09 -0.12 -5.21 1.01 0.09 -2.25 121.20 115.96 3a18 s ILE 280 Ca 0.41 -1.70 0.01 0.00 0.00 0.00 0.00 60.65 59.37 3a18 s ILE 280 Cb -0.25 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 39.96 3a18 s ILE 280 CO 0.30 -0.14 -0.13 -0.83 0.00 0.00 0.00 174.94 174.14 3a18 s GLY 281 N 1.11 0.99 -0.20 6.18 0.00 -0.08 -1.02 107.32 114.30 3a18 s GLY 281 Ca -0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 3a18 s GLY 281 CO -0.06 0.42 0.10 0.30 0.00 0.00 0.00 173.10 173.86 3a18 s HIS 282 N 1.24 3.29 0.04 1.90 3.76 -0.21 -0.38 115.29 124.94 3a18 s HIS 282 Ca -0.02 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.11 3a18 s HIS 282 Cb -0.14 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 3a18 s HIS 282 CO -0.05 0.15 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.18 3a18 s TRP 283 N 0.55 1.96 0.51 1.40 0.52 0.13 -0.66 118.94 123.34 3a18 s TRP 283 Ca 0.05 -0.38 0.23 0.00 0.02 0.00 0.00 56.10 56.02 3a18 s TRP 283 Cb -0.12 -1.17 1.45 0.00 -1.15 0.00 0.00 33.47 32.48 3a18 s TRP 283 CO 0.01 0.10 2.14 0.00 0.02 0.00 0.00 176.95 179.21 3a18 h ALA 284 N 4.85 1.60 -2.80 0.98 0.00 -0.92 -1.86 119.26 121.11 3a18 h ALA 284 Ca -0.44 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 3a18 h ALA 284 Cb 1.15 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 3a18 h ALA 284 CO 0.44 0.08 0.05 -1.54 0.00 0.00 0.00 179.25 178.28 3a18 s SER 285 N -6.52 -0.39 0.23 0.00 1.04 -1.26 -4.52 113.70 102.28 3a18 s SER 285 Ca -0.04 -0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.22 3a18 s SER 285 Cb 0.15 0.52 0.24 0.00 0.10 0.00 0.00 66.02 67.03 3a18 s SER 285 CO 0.61 -0.87 1.78 0.25 0.98 0.00 0.00 173.24 175.99 3a18 h LEU 286 N 2.31 0.97 -0.90 2.42 5.85 -1.82 -2.95 115.31 121.19 3a18 h LEU 286 Ca -0.33 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.10 3a18 h LEU 286 Cb 1.27 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3a18 h LEU 286 CO 0.43 0.92 -0.34 -2.24 -0.34 0.00 0.00 178.44 176.86 3a18 h ASP 287 N 1.00 0.40 -0.92 1.25 2.03 -1.95 -0.87 116.42 117.37 3a18 h ASP 287 Ca 0.22 -0.16 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 3a18 h ASP 287 Cb 0.30 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 38.64 3a18 h ASP 287 CO -0.01 0.72 0.54 1.56 -1.03 0.00 0.00 179.24 181.03 3a18 h GLN 288 N 0.34 1.27 -0.61 4.15 4.20 -1.88 0.53 115.11 123.10 3a18 h GLN 288 Ca 0.04 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3a18 h GLN 288 Cb 0.77 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3a18 h GLN 288 CO 0.06 0.90 0.25 1.25 -0.67 0.00 0.00 178.83 180.62 3a18 h LEU 289 N 1.28 0.83 -0.46 1.46 5.85 -1.27 -1.54 115.31 121.46 3a18 h LEU 289 Ca 0.33 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.90 3a18 h LEU 289 Cb -0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3a18 h LEU 289 CO -0.06 0.77 0.28 -0.33 -0.34 0.00 0.00 178.44 178.76 3a18 h GLU 290 N 0.84 0.55 -0.49 1.25 5.08 -0.67 -1.75 114.58 119.40 3a18 h GLU 290 Ca 0.20 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3a18 h GLU 290 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3a18 h GLU 290 CO -0.02 0.36 0.31 0.00 -1.00 0.00 0.00 179.01 178.67 3a18 h ARG 291 N 0.57 0.65 -0.11 2.33 2.47 -0.64 -2.14 114.38 117.51 3a18 h ARG 291 Ca 0.18 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 3a18 h ARG 291 Cb -0.01 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.16 3a18 h ARG 291 CO -0.07 0.44 0.03 2.35 0.56 0.00 0.00 179.97 183.29 3a18 h TRP 292 N 0.66 0.17 -0.58 3.04 7.01 -1.07 -2.51 115.95 122.66 3a18 h TRP 292 Ca 0.18 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 3a18 h TRP 292 Cb -0.05 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 3a18 h TRP 292 CO -0.04 0.32 0.29 0.66 -2.79 0.00 0.00 178.44 176.88 3a18 h SER 293 N -0.02 0.73 0.58 2.65 4.64 -1.17 -1.24 113.55 119.72 3a18 h SER 293 Ca 0.03 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3a18 h SER 293 Cb 0.22 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3a18 h SER 293 CO -0.00 0.61 -0.77 -1.84 -0.87 0.00 0.00 176.83 173.96 3a18 n GLU 294 N -4.37 0.22 0.00 4.77 0.28 -0.82 -4.25 120.64 116.48 3a18 n GLU 294 Ca 0.05 0.03 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3a18 n GLU 294 Cb 0.12 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.39 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 -1.90 3.14 -4.72 -1.84 3.41 -0.95 -4.95 113.62 105.81 3a18 n SER 295 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3a18 n SER 295 Cb 0.41 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.42 3.52 0.45 7.33 2.46 -0.48 -4.92 115.29 122.22 3a18 s HIS 296 Ca 0.00 1.44 0.21 0.00 0.47 0.00 0.00 55.06 57.18 3a18 s HIS 296 Cb 0.00 -3.33 1.19 0.00 -0.13 0.00 0.00 32.58 30.31 3a18 s HIS 296 CO 0.00 -0.87 1.86 -1.00 -2.47 0.00 0.00 174.74 172.26 3a18 h PRO 297 N 6.52 0.29 0.51 2.88 0.13 -1.97 -1.63 132.00 138.75 3a18 h PRO 297 Ca -0.42 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3a18 h PRO 297 Cb 1.22 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.28 3a18 h PRO 297 CO 0.78 0.19 -0.25 1.79 -0.23 0.00 0.00 178.00 180.29 3a18 h THR 298 N 0.30 0.49 -0.30 1.56 1.35 -1.93 1.11 112.91 115.49 3a18 h THR 298 Ca 0.46 -0.11 -0.13 0.00 -0.55 0.00 0.00 66.41 66.09 3a18 h THR 298 Cb 1.31 0.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3a18 h THR 298 CO -0.14 0.02 -0.33 -0.74 -0.25 0.00 0.00 175.52 174.08 3a18 h HIS 299 N -0.75 0.75 -0.62 4.73 -0.00 -1.75 0.59 115.15 118.09 3a18 h HIS 299 Ca -0.07 -0.20 -0.05 0.00 -0.00 0.00 0.00 60.37 60.05 3a18 h HIS 299 Cb 0.56 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.77 3a18 h HIS 299 CO -0.03 0.89 0.18 -0.07 -0.00 0.00 0.00 177.93 178.90 3a18 h LEU 300 N 0.54 0.92 0.67 0.26 3.38 -1.27 1.34 115.31 121.16 3a18 h LEU 300 Ca 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3a18 h LEU 300 Cb 0.83 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3a18 h LEU 300 CO 0.07 0.90 -0.33 -0.09 0.09 0.00 0.00 178.44 179.08 3a18 h ARG 301 N 0.90 -0.88 -0.80 1.13 2.43 0.17 1.08 114.38 118.41 3a18 h ARG 301 Ca 0.20 0.06 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 3a18 h ARG 301 Cb 0.32 0.20 -0.14 0.00 -0.42 0.00 0.00 29.97 29.93 3a18 h ARG 301 CO -0.00 -0.59 -0.34 0.82 -1.51 0.00 0.00 179.97 178.35 3a18 h ILE 302 N -0.91 0.10 -0.60 1.20 2.04 0.34 1.11 117.51 120.78 3a18 h ILE 302 Ca -0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3a18 h ILE 302 Cb 0.71 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 3a18 h ILE 302 CO 0.14 0.00 0.31 0.15 0.00 0.00 0.00 178.15 178.75 3a18 h PHE 303 N -0.07 0.84 0.10 1.37 3.04 0.23 -0.19 116.94 122.27 3a18 h PHE 303 Ca 0.30 -0.03 -0.26 0.00 3.98 0.00 0.00 57.97 61.97 3a18 h PHE 303 Cb 0.58 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.82 3a18 h PHE 303 CO -0.74 0.62 -1.17 1.79 -2.02 0.00 0.00 178.31 176.79 3a18 h THR 304 N 0.82 1.52 0.00 4.41 1.35 0.18 -3.08 112.91 118.10 3a18 h THR 304 Ca 0.21 -3.03 -0.06 0.00 -0.55 0.00 0.00 66.41 62.98 3a18 h THR 304 Cb 0.08 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3a18 h THR 304 CO -0.03 0.88 -0.28 0.74 -0.25 0.00 0.00 175.52 176.58 3a18 h THR 305 N 0.08 0.78 0.00 6.82 2.02 0.13 -1.40 112.91 121.34 3a18 h THR 305 Ca -0.11 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 3a18 h THR 305 Cb 1.90 1.73 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 3a18 h THR 305 CO 0.19 0.28 -0.00 0.15 0.37 0.00 0.00 175.52 176.50 3a18 h PHE 306 N 0.00 -0.00 0.00 3.16 3.57 -1.04 -2.89 116.94 119.74 3a18 h PHE 306 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3a18 h PHE 306 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3a18 h PHE 306 CO 0.00 0.31 -0.36 0.74 -2.23 0.00 0.00 178.31 176.78 3a18 h PHE 307 N -0.32 0.00 -0.29 0.41 0.04 -1.43 -0.50 116.94 114.85 3a18 h PHE 307 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3a18 h PHE 307 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3a18 h PHE 307 CO 0.03 0.36 -0.07 -0.09 -0.60 0.00 0.00 178.31 177.93 3a18 h ARG 308 N 0.00 0.56 -0.01 1.51 2.43 -1.28 -3.27 114.38 114.31 3a18 h ARG 308 Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3a18 h ARG 308 Cb 0.90 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3a18 h ARG 308 CO 0.05 0.76 -0.43 1.33 -1.51 0.00 0.00 179.97 180.16 3a18 n VAL 309 N -4.49 0.00 -0.51 0.20 0.24 -1.09 -4.66 118.33 108.01 3a18 n VAL 309 Ca -0.03 -0.22 0.42 0.00 -2.04 0.00 0.00 64.34 62.47 3a18 n VAL 309 Cb 0.32 1.03 0.73 0.00 -1.47 0.00 0.00 33.84 34.45 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 3.82 3.24 -0.52 2.33 0.00 -1.14 -1.86 119.26 125.13 3a18 h ALA 310 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a18 h ALA 310 Cb 0.69 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3a18 h ALA 310 CO 0.00 -1.76 0.32 0.00 0.00 0.00 0.00 179.25 177.81 3a18 h ALA 311 N 1.33 1.59 -0.34 0.00 0.00 -1.84 -2.77 119.26 117.23 3a18 h ALA 311 Ca 0.79 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.65 3a18 h ALA 311 Cb 2.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.48 3a18 h ALA 311 CO -0.16 0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3a18 n GLY 312 N -1.39 1.85 3.62 0.00 0.00 -0.70 -4.89 105.19 103.68 3a18 n GLY 312 Ca 0.05 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 3a18 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a18 s LEU 313 N -1.34 3.31 0.00 0.99 1.43 -1.05 -4.49 118.68 117.54 3a18 s LEU 313 Ca 0.29 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3a18 s LEU 313 Cb 0.20 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3a18 s LEU 313 CO 0.12 0.34 0.00 -1.54 0.23 0.00 0.00 176.35 175.50 3a18 n SER 314 N 1.96 0.00 0.00 2.29 3.41 -1.26 -4.98 113.62 115.04 3a18 n SER 314 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3a18 n SER 314 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.35 3.79 -1.88 4.33 4.76 -1.26 -5.03 118.16 122.52 3a18 n LYS 315 Ca 0.00 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 3a18 n LYS 315 Cb 0.00 -0.57 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 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 -1.79 4.37 -0.24 -0.35 2.96 -1.26 -4.59 118.68 117.78 3a18 s LEU 316 Ca 0.00 2.70 -0.04 0.00 -0.22 0.00 0.00 54.13 56.57 3a18 s LEU 316 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3a18 s LEU 316 CO 0.00 -0.85 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.02 3a18 s ARG 317 N 0.91 3.19 0.06 1.98 0.52 0.19 -4.98 118.95 120.82 3a18 s ARG 317 Ca 0.70 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 55.23 3a18 s ARG 317 Cb -0.45 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 31.91 3a18 s ARG 317 CO 0.33 -0.30 -0.24 -0.51 0.02 0.00 0.00 175.30 174.61 3a18 s LEU 318 N 1.45 2.20 0.12 2.53 1.43 -1.26 -0.23 118.68 124.92 3a18 s LEU 318 Ca 0.04 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 3a18 s LEU 318 Cb -0.15 -1.11 0.07 0.00 0.03 0.00 0.00 46.19 45.03 3a18 s LEU 318 CO -0.02 0.19 0.89 -0.72 0.23 0.00 0.00 176.35 176.91 3a18 s TYR 319 N -0.86 -0.23 0.11 0.29 1.13 -1.07 -1.66 117.35 115.06 3a18 s TYR 319 Ca 0.10 -0.04 -0.11 0.00 -1.41 0.00 0.00 57.07 55.60 3a18 s TYR 319 Cb -0.09 0.61 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 3a18 s TYR 319 CO 0.03 -0.80 0.27 -3.38 -2.51 0.00 0.00 175.55 169.16 3a18 s HIS 320 N -3.34 0.08 -0.05 -3.49 -3.43 -0.11 -0.86 115.29 104.09 3a18 s HIS 320 Ca 0.09 -0.47 0.04 0.00 -0.80 0.00 0.00 55.06 53.92 3a18 s HIS 320 Cb -0.02 0.04 -0.00 0.00 -1.43 0.00 0.00 32.58 31.17 3a18 s HIS 320 CO -0.01 -0.63 -0.18 -1.83 -2.00 0.00 0.00 174.74 170.09 3a18 s GLU 321 N -3.86 1.89 -0.05 -0.38 -1.05 0.09 -1.04 118.70 114.29 3a18 s GLU 321 Ca 0.06 -0.63 0.04 0.00 -0.15 0.00 0.00 54.97 54.29 3a18 s GLU 321 Cb 0.04 -1.62 0.00 0.00 -0.44 0.00 0.00 34.13 32.11 3a18 s GLU 321 CO -0.09 0.23 -0.15 0.08 0.95 0.00 0.00 175.26 176.28 3a18 s VAL 322 N 0.08 1.31 0.09 1.83 1.01 -0.03 -1.05 120.40 123.65 3a18 s VAL 322 Ca -0.05 -0.63 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3a18 s VAL 322 Cb -0.12 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 3a18 s VAL 322 CO 0.03 0.39 -0.14 -0.44 0.00 0.00 0.00 175.10 174.93 3a18 s SER 323 N 0.21 1.81 0.18 3.32 0.01 -0.54 -0.37 113.70 118.32 3a18 s SER 323 Ca -0.07 -0.71 0.09 0.00 1.31 0.00 0.00 55.95 56.57 3a18 s SER 323 Cb -0.12 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 3a18 s SER 323 CO 0.03 -0.11 -0.18 0.68 0.41 0.00 0.00 173.24 174.07 3a18 s VAL 324 N -1.67 1.84 -0.00 3.43 -7.23 0.05 -1.24 120.40 115.58 3a18 s VAL 324 Ca 0.03 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 3a18 s VAL 324 Cb -0.08 -1.89 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 3a18 s VAL 324 CO 0.02 -0.36 0.11 -0.36 -0.31 0.00 0.00 175.10 174.21 3a18 s PHE 325 N -2.20 0.05 0.76 2.82 0.40 -1.14 -4.59 117.98 114.07 3a18 s PHE 325 Ca 0.17 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.24 3a18 s PHE 325 Cb -0.05 -0.05 0.05 0.00 0.51 0.00 0.00 43.02 43.48 3a18 s PHE 325 CO 0.07 -0.24 1.21 -0.51 0.70 0.00 0.00 175.22 176.45 3a18 s ASP 326 N -1.18 3.99 0.22 1.36 1.01 -1.26 -0.02 116.67 120.79 3a18 s ASP 326 Ca -0.13 2.37 -0.08 0.00 0.71 0.00 0.00 52.55 55.42 3a18 s ASP 326 Cb -0.07 -2.59 0.25 0.00 1.01 0.00 0.00 42.92 41.53 3a18 s ASP 326 CO 0.01 -2.40 1.83 0.00 0.21 0.00 0.00 175.17 174.81 3a18 h ALA 327 N -0.49 0.97 0.00 5.23 0.00 -1.83 -1.32 119.26 121.83 3a18 h ALA 327 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a18 h ALA 327 Cb 1.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3a18 h ALA 327 CO 0.49 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3a18 h ALA 328 N 1.35 1.00 -0.62 0.00 0.00 -1.92 -2.67 119.26 116.40 3a18 h ALA 328 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a18 h ALA 328 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a18 h ALA 328 CO -0.17 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.83 3a18 n ASP 329 N -2.40 5.04 -3.99 0.00 8.00 -0.50 -4.87 116.55 117.83 3a18 n ASP 329 Ca -0.01 -2.59 -0.21 0.00 0.71 0.00 0.00 54.79 52.70 3a18 n ASP 329 Cb 0.10 -0.62 -0.16 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 -2.13 0.99 -0.05 -1.24 -0.21 -1.01 -0.67 119.66 115.35 3a18 s GLN 330 Ca 0.52 -0.29 -0.00 0.00 0.02 0.00 0.00 55.36 55.60 3a18 s GLN 330 Cb 0.35 -0.92 0.03 0.00 1.00 0.00 0.00 33.01 33.47 3a18 s GLN 330 CO 0.22 0.09 -0.00 -1.17 -2.12 0.00 0.00 175.29 172.30 3a18 s LEU 331 N 0.29 0.91 -0.25 2.90 0.20 0.05 -4.25 118.68 118.52 3a18 s LEU 331 Ca -0.05 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.73 3a18 s LEU 331 Cb -0.10 -0.34 0.07 0.00 -0.43 0.00 0.00 46.19 45.39 3a18 s LEU 331 CO 0.01 -0.13 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.58 3a18 s TYR 332 N 1.43 2.63 -0.05 5.38 2.02 -0.77 -0.63 117.35 127.36 3a18 s TYR 332 Ca -0.04 -1.98 0.05 0.00 -0.37 0.00 0.00 57.07 54.74 3a18 s TYR 332 Cb -0.13 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 3a18 s TYR 332 CO -0.03 -0.82 -0.22 -1.21 -1.57 0.00 0.00 175.55 171.71 3a18 s GLU 333 N 1.31 2.19 -0.01 -0.62 2.02 0.51 -0.14 118.70 123.96 3a18 s GLU 333 Ca -0.04 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.21 3a18 s GLU 333 Cb -0.19 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.15 3a18 s GLU 333 CO -0.07 0.33 -0.10 0.71 0.02 0.00 0.00 175.26 176.15 3a18 s TYR 334 N -0.11 0.95 -0.14 1.61 1.51 -0.44 -0.50 117.35 120.23 3a18 s TYR 334 Ca -0.03 -0.19 0.00 0.00 -1.01 0.00 0.00 57.07 55.84 3a18 s TYR 334 Cb -0.12 -0.62 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 3a18 s TYR 334 CO 0.03 -0.04 -0.10 0.42 -1.11 0.00 0.00 175.55 174.75 3a18 s ILE 335 N -0.15 1.32 -1.44 2.71 1.01 0.95 -1.02 121.20 124.58 3a18 s ILE 335 Ca 0.02 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 3a18 s ILE 335 Cb -0.05 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.13 3a18 s ILE 335 CO -0.00 0.35 0.68 0.59 0.00 0.00 0.00 174.94 176.56 3a18 n ASN 336 N 4.84 -1.99 -4.83 3.58 3.02 -0.53 -0.82 115.26 118.53 3a18 n ASN 336 Ca -0.14 -0.90 -0.28 0.00 -0.03 0.00 0.00 54.58 53.23 3a18 n ASN 336 Cb 0.49 -3.52 -0.05 0.00 -0.61 0.00 0.00 39.78 36.09 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 -1.59 2.50 -1.31 0.00 -3.43 -1.26 -4.84 115.29 105.36 3a18 s HIS 338 Ca 0.32 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 56.06 3a18 s HIS 338 Cb -0.11 -3.53 0.00 0.00 -1.43 0.00 0.00 32.58 27.50 3a18 s HIS 338 CO 0.25 -2.19 0.81 -2.30 -2.00 0.00 0.00 174.74 169.31 3a18 n PRO 339 N -1.14 0.00 0.00 -0.38 -0.02 -1.26 -1.22 135.00 130.98 3a18 n PRO 339 Ca 0.11 0.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3a18 n PRO 339 Cb 0.48 -1.51 0.12 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.31 0.69 3.67 -1.23 0.00 -1.26 -3.10 105.19 102.65 3a18 n GLY 340 Ca 0.00 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.11 3.65 0.00 2.61 2.01 -0.36 -4.36 115.64 117.08 3a18 s THR 341 Ca 0.27 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.16 3a18 s THR 341 Cb 0.20 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3a18 s THR 341 CO 0.36 -0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 3a18 n GLY 342 N 3.91 3.15 0.00 4.40 0.00 -1.26 -1.05 105.19 114.35 3a18 n GLY 342 Ca 0.16 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 0.95 0.11 1.61 2.81 -1.26 -3.24 117.12 132.10 3a18 n MET 343 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3a18 n MET 343 Cb 0.00 -1.47 0.31 0.00 -0.71 0.00 0.00 33.22 31.35 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 0.21 -0.32 4.03 3.38 -1.36 -3.09 115.31 118.16 3a18 h LEU 344 Ca 0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3a18 h LEU 344 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3a18 h LEU 344 CO 0.00 0.50 0.07 -0.09 0.09 0.00 0.00 178.44 179.01 3a18 h ARG 345 N 0.19 0.52 0.00 1.13 2.43 -1.51 -3.32 114.38 113.82 3a18 h ARG 345 Ca 0.03 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3a18 h ARG 345 Cb 0.60 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3a18 h ARG 345 CO 0.04 0.59 -1.12 -0.25 -1.51 0.00 0.00 179.97 177.72 3a18 n ASP 346 N -4.64 0.84 -4.76 -3.80 9.92 -1.25 -5.00 116.55 107.86 3a18 n ASP 346 Ca -0.02 -0.64 -0.39 0.00 -0.53 0.00 0.00 54.79 53.21 3a18 n ASP 346 Cb 0.20 1.25 0.02 0.00 -0.64 0.00 0.00 41.12 41.94 3a18 n ASP 346 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a18 s ALA 347 N -2.82 3.09 0.26 2.24 0.00 -1.17 -4.89 121.76 118.47 3a18 s ALA 347 Ca 0.03 1.36 -0.05 0.00 0.00 0.00 0.00 51.96 53.29 3a18 s ALA 347 Cb 0.13 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3a18 s ALA 347 CO 0.72 -1.17 0.53 0.14 0.00 0.00 0.00 175.76 175.98 3a18 s VAL 348 N -1.26 5.04 0.32 0.00 -7.23 0.85 -4.78 120.40 113.34 3a18 s VAL 348 Ca 0.64 0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.76 3a18 s VAL 348 Cb -0.41 -3.71 -0.08 0.00 0.56 0.00 0.00 36.38 32.74 3a18 s VAL 348 CO 0.51 -0.24 0.71 0.42 -0.31 0.00 0.00 175.10 176.19 3a18 s THR 349 N -1.99 4.75 0.14 5.32 -4.23 -1.26 -0.99 115.64 117.38 3a18 s THR 349 Ca 0.44 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.44 3a18 s THR 349 Cb -0.11 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 3a18 s THR 349 CO 0.28 -0.24 1.57 -0.29 -0.54 0.00 0.00 174.62 175.40 3a18 h ILE 350 N 1.78 0.07 0.00 2.99 6.09 -1.95 -1.92 117.51 124.58 3a18 h ILE 350 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3a18 h ILE 350 Cb 1.18 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.54 3a18 h ILE 350 CO 0.66 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.74 3a18 n ALA 351 N -3.05 2.21 -0.82 0.18 0.00 -1.26 -4.20 120.51 113.57 3a18 n ALA 351 Ca -0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3a18 n ALA 351 Cb 0.36 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 3a18 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a18 n GLU 352 N -1.93 1.58 0.00 0.00 1.02 -0.72 -5.30 120.64 115.28 3a18 n GLU 352 Ca 0.06 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.35 3a18 n GLU 352 Cb 0.37 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3a18 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92