#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 2.50 0.03 0.03 2.02 -1.22 -4.84 118.70 117.22 3a18 s GLU 2 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3a18 s GLU 2 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 3a18 s GLU 2 CO 0.00 -1.47 0.11 0.45 0.02 0.00 0.00 175.26 174.37 3a18 s SER 3 N -3.04 5.80 0.52 -0.19 0.15 -1.26 -1.76 113.70 113.92 3a18 s SER 3 Ca 0.64 0.14 0.20 0.00 0.70 0.00 0.00 55.95 57.63 3a18 s SER 3 Cb -0.19 -1.67 1.35 0.00 -1.71 0.00 0.00 66.02 63.80 3a18 s SER 3 CO 0.50 0.23 2.13 0.00 1.20 0.00 0.00 173.24 177.29 3a18 h ALA 4 N 3.70 1.74 -2.29 5.45 0.00 -1.93 -3.42 119.26 122.50 3a18 h ALA 4 Ca -0.48 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 53.80 3a18 h ALA 4 Cb 1.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3a18 h ALA 4 CO 0.66 0.08 0.52 0.42 0.00 0.00 0.00 179.25 180.92 3a18 s ILE 5 N -4.76 4.82 0.34 0.00 1.01 -1.26 -4.98 121.20 116.35 3a18 s ILE 5 Ca -0.04 1.83 -0.27 0.00 0.00 0.00 0.00 60.65 62.17 3a18 s ILE 5 Cb 0.16 -4.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.28 3a18 s ILE 5 CO 0.64 -0.02 1.01 0.61 0.00 0.00 0.00 174.94 177.19 3a18 n GLY 6 N 3.32 -0.23 0.27 6.18 0.00 -1.26 -4.80 105.19 108.67 3a18 n GLY 6 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 1.85 0.66 0.00 1.61 4.81 -1.93 0.27 114.58 121.85 3a18 h GLU 7 Ca -0.42 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3a18 h GLU 7 Cb 1.34 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3a18 h GLU 7 CO 0.59 0.44 0.00 -2.39 -0.73 0.00 0.00 179.01 176.92 3a18 n HIS 8 N -4.80 0.77 1.01 0.92 1.44 -1.26 -2.33 115.22 110.96 3a18 n HIS 8 Ca 0.10 0.32 0.11 0.00 -2.01 0.00 0.00 57.72 56.24 3a18 n HIS 8 Cb 0.23 -1.01 0.01 0.00 0.12 0.00 0.00 29.99 29.34 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 -2.22 2.05 -4.76 2.39 4.77 0.06 -4.95 117.00 114.34 3a18 n LEU 9 Ca 0.02 -0.75 -0.40 0.00 -0.03 0.00 0.00 56.01 54.84 3a18 n LEU 9 Cb 0.19 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3a18 n LEU 9 CO 0.18 0.38 0.82 -1.10 -1.33 0.00 0.00 177.39 176.34 3a18 s GLN 10 N -2.46 4.59 0.21 3.23 -0.21 -0.99 -4.95 119.66 119.08 3a18 s GLN 10 Ca 0.19 1.86 -0.13 0.00 0.02 0.00 0.00 55.36 57.30 3a18 s GLN 10 Cb 0.18 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 31.04 3a18 s GLN 10 CO 0.56 0.15 0.44 0.00 -2.12 0.00 0.00 175.29 174.32 3a18 n PRO 12 N -0.32 2.09 -3.29 0.00 -0.02 -1.26 -4.95 135.00 127.25 3a18 n PRO 12 Ca -0.06 0.74 -0.39 0.00 -2.02 0.00 0.00 63.50 61.78 3a18 n PRO 12 Cb 0.62 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 3a18 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a18 s ARG 13 N -0.78 4.20 -0.01 -0.52 0.52 -1.26 -4.84 118.95 116.26 3a18 s ARG 13 Ca 0.65 0.69 0.10 0.00 -0.52 0.00 0.00 55.73 56.65 3a18 s ARG 13 Cb -0.62 -3.27 -0.15 0.00 0.52 0.00 0.00 34.95 31.44 3a18 s ARG 13 CO 0.53 0.57 0.24 0.25 0.02 0.00 0.00 175.30 176.90 3a18 n THR 14 N 2.02 0.00 -5.16 0.02 -2.24 -0.50 -4.99 114.28 103.43 3a18 n THR 14 Ca -0.10 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3a18 n THR 14 Cb 0.51 0.35 -0.16 0.00 -2.10 0.00 0.00 70.33 68.93 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 -3.56 2.04 0.36 3.22 1.43 -0.74 -4.98 118.68 116.45 3a18 s LEU 15 Ca -0.03 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 3a18 s LEU 15 Cb 0.06 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 45.03 3a18 s LEU 15 CO 0.41 0.28 0.12 0.42 0.23 0.00 0.00 176.35 177.81 3a18 s THR 16 N -0.49 2.69 0.85 5.49 -4.23 -1.26 -4.60 115.64 114.09 3a18 s THR 16 Ca 0.07 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.69 3a18 s THR 16 Cb -0.10 -2.93 0.10 0.00 1.34 0.00 0.00 72.50 70.92 3a18 s THR 16 CO -0.00 -0.13 1.14 -0.13 -0.54 0.00 0.00 174.62 174.96 3a18 s ARG 17 N -3.83 1.60 0.00 3.99 0.52 -1.26 -5.00 118.95 114.97 3a18 s ARG 17 Ca 0.38 0.28 0.21 0.00 -0.52 0.00 0.00 55.73 56.08 3a18 s ARG 17 Cb 0.00 -1.89 0.41 0.00 0.52 0.00 0.00 34.95 33.99 3a18 s ARG 17 CO 0.22 -1.88 1.37 2.89 0.02 0.00 0.00 175.30 177.92 3a18 n ARG 18 N -3.54 2.44 -4.74 3.54 1.85 -1.26 -4.93 116.66 110.01 3a18 n ARG 18 Ca 0.07 -2.24 -0.25 0.00 -1.00 0.00 0.00 57.85 54.42 3a18 n ARG 18 Cb 0.59 -1.48 -0.15 0.00 -1.05 0.00 0.00 32.46 30.38 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 -1.37 1.58 0.97 8.89 -7.23 -1.26 -5.14 120.40 116.84 3a18 s VAL 19 Ca 0.37 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.38 3a18 s VAL 19 Cb 0.21 -1.35 0.17 0.00 0.56 0.00 0.00 36.38 35.97 3a18 s VAL 19 CO 0.29 0.28 1.09 -2.16 -0.31 0.00 0.00 175.10 174.30 3a18 s PRO 20 N -0.89 0.66 0.54 4.82 0.04 -1.26 -4.92 135.00 133.99 3a18 s PRO 20 Ca 0.07 1.05 0.31 0.00 0.04 0.00 0.00 61.00 62.47 3a18 s PRO 20 Cb -0.08 -1.72 1.54 0.00 0.04 0.00 0.00 34.50 34.27 3a18 s PRO 20 CO 0.01 -2.72 2.08 -0.44 0.04 0.00 0.00 177.00 175.97 3a18 h ASP 21 N -1.91 0.00 0.43 6.66 5.19 -2.01 -2.28 116.42 122.51 3a18 h ASP 21 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 3a18 h ASP 21 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3a18 h ASP 21 CO 0.50 0.09 0.00 0.35 -3.12 0.00 0.00 179.24 177.06 3a18 n THR 22 N -3.43 1.16 -1.64 0.35 -2.24 -1.26 -4.85 114.28 102.36 3a18 n THR 22 Ca -0.01 0.30 -0.48 0.00 -2.27 0.00 0.00 64.05 61.59 3a18 n THR 22 Cb 0.24 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 67.31 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 -1.58 2.00 -4.21 4.78 9.36 -0.86 -5.00 117.16 121.65 3a18 n TYR 23 Ca 0.03 0.40 -0.25 0.00 3.32 0.00 0.00 57.90 61.40 3a18 n TYR 23 Cb 0.14 -2.47 -0.17 0.00 -0.63 0.00 0.00 39.34 36.22 3a18 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a18 s THR 24 N 0.74 1.03 0.58 2.97 2.01 -1.26 -5.04 115.64 116.67 3a18 s THR 24 Ca 0.81 -0.35 -0.19 0.00 0.31 0.00 0.00 61.69 62.27 3a18 s THR 24 Cb -0.78 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 70.70 3a18 s THR 24 CO 0.41 0.35 1.19 -2.16 -0.69 0.00 0.00 174.62 173.72 3a18 s PRO 25 N 1.21 3.04 0.00 4.92 0.04 -1.26 -4.95 135.00 138.00 3a18 s PRO 25 Ca -0.05 1.78 0.29 0.00 0.04 0.00 0.00 61.00 63.07 3a18 s PRO 25 Cb -0.14 -1.94 1.32 0.00 0.04 0.00 0.00 34.50 33.78 3a18 s PRO 25 CO -0.03 -1.14 1.91 -0.35 0.04 0.00 0.00 177.00 177.44 3a18 n PRO 26 N -1.55 0.84 -3.53 0.56 -0.04 -1.26 -4.86 135.00 125.17 3a18 n PRO 26 Ca 0.13 -0.27 -0.15 0.00 -0.04 0.00 0.00 63.50 63.17 3a18 n PRO 26 Cb 0.50 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 -2.35 -0.52 0.25 0.54 -0.12 -1.26 -5.16 117.98 109.37 3a18 s PHE 27 Ca 0.33 0.64 -0.30 0.00 -0.05 0.00 0.00 56.93 57.55 3a18 s PHE 27 Cb 0.20 0.40 -0.09 0.00 -0.63 0.00 0.00 43.02 42.91 3a18 s PHE 27 CO 0.44 -0.67 1.07 -1.25 -0.05 0.00 0.00 175.22 174.76 3a18 s PRO 28 N -2.31 4.67 0.05 1.99 0.04 -1.26 -5.02 135.00 133.14 3a18 s PRO 28 Ca -0.06 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.71 3a18 s PRO 28 Cb -0.01 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3a18 s PRO 28 CO -0.00 0.24 -0.02 -1.64 0.04 0.00 0.00 177.00 175.61 3a18 s MET 29 N -1.20 0.57 0.18 4.56 -1.94 -1.26 -4.85 119.30 115.36 3a18 s MET 29 Ca 0.45 -1.12 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 3a18 s MET 29 Cb -0.31 0.20 -0.05 0.00 2.01 0.00 0.00 34.83 36.69 3a18 s MET 29 CO 0.38 -0.11 -0.04 -1.58 -0.01 0.00 0.00 175.02 173.67 3a18 s TRP 30 N -3.56 1.35 0.12 -0.03 0.51 -0.07 -2.13 118.94 115.13 3a18 s TRP 30 Ca 0.04 -0.88 0.03 0.00 -2.12 0.00 0.00 56.10 53.17 3a18 s TRP 30 Cb 0.05 -0.74 -0.04 0.00 -0.81 0.00 0.00 33.47 31.93 3a18 s TRP 30 CO -0.09 -0.03 -0.08 0.14 -0.51 0.00 0.00 176.95 176.39 3a18 s VAL 31 N -3.44 0.87 0.28 4.03 -7.23 -1.26 -0.19 120.40 113.47 3a18 s VAL 31 Ca 0.22 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.12 3a18 s VAL 31 Cb 0.04 -1.76 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 3a18 s VAL 31 CO 0.04 -0.81 1.21 -0.83 -0.31 0.00 0.00 175.10 174.40 3a18 s GLY 32 N -3.10 2.95 0.01 2.32 0.00 -1.26 -1.06 107.32 107.19 3a18 s GLY 32 Ca 0.14 1.07 0.05 0.00 0.00 0.00 0.00 44.72 45.99 3a18 s GLY 32 CO -0.02 1.76 -0.13 0.50 0.00 0.00 0.00 173.10 175.20 3a18 s ARG 33 N -1.35 2.30 -0.08 2.90 1.81 0.59 -4.83 118.95 120.29 3a18 s ARG 33 Ca 0.48 -0.85 -0.14 0.00 -1.72 0.00 0.00 55.73 53.51 3a18 s ARG 33 Cb -0.36 -2.32 0.03 0.00 -0.45 0.00 0.00 34.95 31.85 3a18 s ARG 33 CO 0.45 0.57 0.34 0.00 -0.68 0.00 0.00 175.30 175.99 3a18 s ALA 34 N -0.92 -0.85 1.04 2.13 0.00 -1.26 0.08 121.76 121.97 3a18 s ALA 34 Ca 0.15 0.72 -0.09 0.00 0.00 0.00 0.00 51.96 52.74 3a18 s ALA 34 Cb -0.11 -0.30 0.13 0.00 0.00 0.00 0.00 23.12 22.84 3a18 s ALA 34 CO 0.05 -0.21 0.66 -0.40 0.00 0.00 0.00 175.76 175.87 3a18 n ASP 35 N 2.19 -0.41 -0.22 0.00 5.68 -1.26 -4.91 116.55 117.61 3a18 n ASP 35 Ca -0.17 -1.14 0.29 0.00 -0.50 0.00 0.00 54.79 53.28 3a18 n ASP 35 Cb 0.57 -0.53 0.71 0.00 -1.14 0.00 0.00 41.12 40.73 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 -1.20 0.04 -0.90 -1.12 3.58 -2.02 -2.66 116.42 112.15 3a18 h ASP 36 Ca -0.22 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.24 3a18 h ASP 36 Cb 0.63 -0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.64 3a18 h ASP 36 CO 0.15 0.01 0.59 0.00 -2.88 0.00 0.00 179.24 177.12 3a18 h ALA 37 N 1.53 1.14 -1.78 -0.78 0.00 -2.03 -3.39 119.26 113.96 3a18 h ALA 37 Ca 0.47 -0.06 -0.57 0.00 0.00 0.00 0.00 54.91 54.75 3a18 h ALA 37 Cb 1.79 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.17 3a18 h ALA 37 CO -0.03 0.53 1.04 -1.17 0.00 0.00 0.00 179.25 179.63 3a18 s LEU 38 N -10.13 3.60 -0.13 0.00 2.96 -1.00 -4.85 118.68 109.12 3a18 s LEU 38 Ca -0.13 0.76 0.08 0.00 -0.22 0.00 0.00 54.13 54.62 3a18 s LEU 38 Cb 0.17 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.18 3a18 s LEU 38 CO 0.80 -1.40 -0.02 0.00 -1.32 0.00 0.00 176.35 174.42 3a18 n GLN 39 N 8.03 1.46 -3.63 1.98 1.13 -1.26 -4.72 117.38 120.36 3a18 n GLN 39 Ca 0.16 0.03 -0.04 0.00 -1.94 0.00 0.00 57.00 55.20 3a18 n GLN 39 Cb 0.48 -1.32 -0.07 0.00 0.11 0.00 0.00 30.24 29.45 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 -2.31 0.54 0.33 -1.09 0.74 -1.26 -1.08 119.66 115.54 3a18 s GLN 40 Ca -0.11 0.97 0.07 0.00 0.05 0.00 0.00 55.36 56.34 3a18 s GLN 40 Cb 0.04 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.30 3a18 s GLN 40 CO 0.46 -0.12 0.37 0.14 -0.55 0.00 0.00 175.29 175.59 3a18 s VAL 41 N 1.61 3.83 -0.08 1.34 -7.23 -0.77 -3.60 120.40 115.51 3a18 s VAL 41 Ca -0.09 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 58.92 3a18 s VAL 41 Cb -0.05 -3.30 -0.00 0.00 0.56 0.00 0.00 36.38 33.58 3a18 s VAL 41 CO -0.18 -0.18 -0.24 -0.69 -0.31 0.00 0.00 175.10 173.51 3a18 s VAL 42 N -2.24 2.01 -0.31 1.32 1.01 -0.74 -3.38 120.40 118.08 3a18 s VAL 42 Ca 0.42 -1.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3a18 s VAL 42 Cb -0.07 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.64 3a18 s VAL 42 CO 0.28 0.55 0.01 -0.04 0.00 0.00 0.00 175.10 175.91 3a18 s MET 43 N 0.15 2.43 -0.34 2.72 -1.94 0.83 -1.36 119.30 121.79 3a18 s MET 43 Ca -0.13 -1.28 -0.04 0.00 -1.71 0.00 0.00 55.69 52.54 3a18 s MET 43 Cb -0.16 -3.21 0.06 0.00 2.01 0.00 0.00 34.83 33.53 3a18 s MET 43 CO 0.07 -0.64 0.09 0.20 -0.01 0.00 0.00 175.02 174.73 3a18 s GLY 44 N 1.28 1.85 -0.34 -0.03 0.00 0.19 -1.18 107.32 109.08 3a18 s GLY 44 Ca -0.05 -1.94 -0.16 0.00 0.00 0.00 0.00 44.72 42.57 3a18 s GLY 44 CO -0.01 0.81 0.42 -0.19 0.00 0.00 0.00 173.10 174.13 3a18 s TYR 45 N 1.29 3.20 -0.25 1.90 1.51 -0.50 -0.19 117.35 124.31 3a18 s TYR 45 Ca -0.01 0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 56.10 3a18 s TYR 45 Cb -0.21 -2.76 0.03 0.00 -0.11 0.00 0.00 41.96 38.91 3a18 s TYR 45 CO -0.00 -0.46 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.40 3a18 s LEU 46 N 2.16 3.16 0.15 -1.29 1.02 0.32 -1.01 118.68 123.19 3a18 s LEU 46 Ca 0.14 -0.87 0.08 0.00 0.02 0.00 0.00 54.13 53.51 3a18 s LEU 46 Cb -0.16 -1.66 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 3a18 s LEU 46 CO 0.12 -0.12 -0.10 -0.83 0.02 0.00 0.00 176.35 175.44 3a18 s GLY 47 N 1.32 1.75 -0.07 -3.19 0.00 0.29 -0.67 107.32 106.75 3a18 s GLY 47 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 44.72 43.36 3a18 s GLY 47 CO -0.05 -1.38 -0.11 0.14 0.00 0.00 0.00 173.10 171.70 3a18 s VAL 48 N -1.50 1.10 -0.04 1.40 1.01 0.76 -1.95 120.40 121.18 3a18 s VAL 48 Ca 0.23 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.85 3a18 s VAL 48 Cb -0.10 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 3a18 s VAL 48 CO 0.15 0.35 -0.25 -1.58 0.00 0.00 0.00 175.10 173.77 3a18 s GLN 49 N 0.87 2.33 0.15 2.72 0.74 0.10 -0.23 119.66 126.34 3a18 s GLN 49 Ca -0.11 -0.91 -0.19 0.00 0.05 0.00 0.00 55.36 54.20 3a18 s GLN 49 Cb -0.15 -2.11 0.05 0.00 1.10 0.00 0.00 33.01 31.90 3a18 s GLN 49 CO 0.01 0.48 0.50 -0.59 -0.55 0.00 0.00 175.29 175.14 3a18 s PHE 50 N -0.40 -0.35 0.00 1.67 -0.71 -0.25 -0.16 117.98 117.78 3a18 s PHE 50 Ca 0.04 0.07 0.00 0.00 -1.04 0.00 0.00 56.93 56.00 3a18 s PHE 50 Cb -0.12 0.41 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 3a18 s PHE 50 CO 0.01 -0.79 0.00 -2.13 -1.34 0.00 0.00 175.22 170.97 3a18 n ARG 51 N -0.30 0.95 -3.16 1.99 0.63 -1.26 0.60 116.66 116.10 3a18 n ARG 51 Ca -0.16 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.39 3a18 n ARG 51 Cb 0.64 -0.90 -0.06 0.00 0.45 0.00 0.00 32.46 32.59 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 -3.46 7.17 0.29 6.15 1.01 -1.26 -4.87 116.67 121.70 3a18 s ASP 52 Ca 0.00 1.40 0.05 0.00 0.71 0.00 0.00 52.55 54.70 3a18 s ASP 52 Cb 0.00 -2.41 0.71 0.00 1.01 0.00 0.00 42.92 42.23 3a18 s ASP 52 CO 0.00 0.23 1.76 -0.33 0.21 0.00 0.00 175.17 177.04 3a18 h GLU 53 N 4.33 0.67 0.00 8.23 4.39 -2.02 -1.72 114.58 128.46 3a18 h GLU 53 Ca -0.49 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.17 3a18 h GLU 53 Cb 1.21 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3a18 h GLU 53 CO 0.64 0.45 0.00 -0.40 -1.16 0.00 0.00 179.01 178.54 3a18 n ASP 54 N -4.82 0.00 0.02 1.42 5.75 -1.26 -1.62 116.55 116.04 3a18 n ASP 54 Ca 0.22 0.50 0.11 0.00 -0.01 0.00 0.00 54.79 55.61 3a18 n ASP 54 Cb 0.56 -0.50 0.11 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.50 0.15 -0.11 0.11 6.02 -0.65 -4.51 117.38 116.90 3a18 n GLN 55 Ca 0.02 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.97 3a18 n GLN 55 Cb 0.12 -1.56 0.02 0.00 1.02 0.00 0.00 30.24 29.83 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 0.25 -0.29 -1.09 2.43 -1.40 -0.55 114.38 113.73 3a18 h ARG 56 Ca 0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3a18 h ARG 56 Cb 0.62 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3a18 h ARG 56 CO 0.00 0.16 0.03 -1.35 -1.51 0.00 0.00 179.97 177.30 3a18 h PRO 57 N 0.26 0.12 -0.85 0.20 0.11 -1.80 0.10 132.00 130.14 3a18 h PRO 57 Ca 0.17 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 3a18 h PRO 57 Cb 0.15 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 3a18 h PRO 57 CO -0.18 0.08 0.44 0.00 -0.21 0.00 0.00 178.00 178.13 3a18 h ALA 58 N 1.23 1.09 -0.35 -0.75 0.00 -1.80 -0.29 119.26 118.39 3a18 h ALA 58 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3a18 h ALA 58 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3a18 h ALA 58 CO -0.21 0.63 0.03 0.00 0.00 0.00 0.00 179.25 179.70 3a18 h ALA 59 N 1.24 0.47 -0.49 0.00 0.00 -0.70 0.67 119.26 120.44 3a18 h ALA 59 Ca 0.30 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3a18 h ALA 59 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a18 h ALA 59 CO -0.04 0.19 0.02 -0.07 0.00 0.00 0.00 179.25 179.35 3a18 h LEU 60 N 0.42 0.77 -0.49 0.00 3.38 -0.66 -2.19 115.31 116.55 3a18 h LEU 60 Ca 0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3a18 h LEU 60 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3a18 h LEU 60 CO 0.01 0.83 0.12 -0.61 0.09 0.00 0.00 178.44 178.88 3a18 h GLN 61 N 0.76 0.78 -0.88 1.13 5.75 -0.78 -0.67 115.11 121.19 3a18 h GLN 61 Ca 0.15 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3a18 h GLN 61 Cb 0.43 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 3a18 h GLN 61 CO 0.02 0.76 0.54 0.00 -2.65 0.00 0.00 178.83 177.50 3a18 h ALA 62 N 0.99 1.12 -0.57 3.38 0.00 -0.69 0.05 119.26 123.55 3a18 h ALA 62 Ca 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3a18 h ALA 62 Cb 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3a18 h ALA 62 CO 0.00 0.58 0.31 1.98 0.00 0.00 0.00 179.25 182.12 3a18 h MET 63 N 1.21 0.79 -0.66 0.00 1.85 -1.12 -0.81 114.93 116.19 3a18 h MET 63 Ca 0.32 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 3a18 h MET 63 Cb -0.06 -0.16 -0.03 0.00 0.43 0.00 0.00 31.60 31.78 3a18 h MET 63 CO -0.06 0.60 0.35 0.00 -0.40 0.00 0.00 176.91 177.40 3a18 h ARG 64 N 0.76 0.91 -0.18 0.39 3.08 -0.52 -1.26 114.38 117.56 3a18 h ARG 64 Ca 0.20 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3a18 h ARG 64 Cb 0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3a18 h ARG 64 CO -0.03 0.67 0.07 -0.44 -1.07 0.00 0.00 179.97 179.17 3a18 h ASP 65 N 0.92 0.24 -0.22 7.04 3.32 -0.42 -1.41 116.42 125.88 3a18 h ASP 65 Ca 0.23 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3a18 h ASP 65 Cb 0.04 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3a18 h ASP 65 CO -0.04 0.33 0.10 0.40 -1.72 0.00 0.00 179.24 178.31 3a18 h ILE 66 N 0.14 0.98 -0.72 0.35 2.04 -0.82 -1.13 117.51 118.35 3a18 h ILE 66 Ca 0.06 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3a18 h ILE 66 Cb 0.16 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3a18 h ILE 66 CO -0.01 0.04 0.42 0.58 0.00 0.00 0.00 178.15 179.18 3a18 h VAL 67 N 0.21 1.00 -0.39 1.67 2.07 -1.19 -1.50 116.25 118.13 3a18 h VAL 67 Ca 0.09 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3a18 h VAL 67 Cb 0.03 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 3a18 h VAL 67 CO -0.07 0.14 0.07 0.00 0.02 0.00 0.00 177.57 177.73 3a18 h ALA 68 N 1.36 1.40 0.00 1.67 0.00 -0.85 -2.03 119.26 120.81 3a18 h ALA 68 Ca 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a18 h ALA 68 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3a18 h ALA 68 CO -0.17 0.43 -0.03 0.78 0.00 0.00 0.00 179.25 180.25 3a18 h GLY 69 N 0.82 0.00 2.00 0.00 0.00 -0.14 -1.87 103.07 103.87 3a18 h GLY 69 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3a18 h GLY 69 CO 0.00 0.00 -0.19 0.74 0.00 0.00 0.00 176.54 177.09 3a18 h PHE 70 N 0.00 0.00 0.00 5.60 0.04 -1.11 -2.95 116.94 118.52 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 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3a18 h PHE 70 CO 0.00 0.19 0.00 -0.25 -0.60 0.00 0.00 178.31 177.65 3a18 n ASP 71 N -3.32 0.00 -4.84 2.17 9.92 -0.70 -4.14 116.55 115.63 3a18 n ASP 71 Ca 0.01 -0.52 -0.32 0.00 -0.53 0.00 0.00 54.79 53.43 3a18 n ASP 71 Cb 0.43 -0.15 -0.00 0.00 -0.64 0.00 0.00 41.12 40.76 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 -2.30 3.43 0.24 0.64 1.43 -1.12 -4.96 118.68 116.04 3a18 s LEU 72 Ca 0.36 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.75 3a18 s LEU 72 Cb 0.20 -4.50 -0.15 0.00 0.03 0.00 0.00 46.19 41.77 3a18 s LEU 72 CO 0.40 -0.88 0.95 -2.65 0.23 0.00 0.00 176.35 174.40 3a18 n PRO 73 N -2.18 0.99 -1.11 1.29 -0.02 -1.26 -1.51 135.00 131.20 3a18 n PRO 73 Ca 0.07 0.35 -0.04 0.00 -2.02 0.00 0.00 63.50 61.86 3a18 n PRO 73 Cb 0.54 -1.68 -0.02 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.58 -4.27 -4.56 2.55 8.00 -1.26 -4.69 116.55 113.90 3a18 n ASP 74 Ca 0.13 0.10 -0.28 0.00 0.71 0.00 0.00 54.79 55.44 3a18 n ASP 74 Cb 0.28 -2.11 0.22 0.00 -0.02 0.00 0.00 41.12 39.49 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 -2.37 1.55 0.67 0.44 0.00 -0.57 -4.44 107.32 102.60 3a18 s GLY 75 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 44.72 44.35 3a18 s GLY 75 CO 0.00 0.47 1.17 2.56 0.00 0.00 0.00 173.10 177.30 3a18 s PRO 76 N -4.66 2.59 0.42 2.90 0.04 -1.26 -4.93 135.00 130.09 3a18 s PRO 76 Ca 0.67 1.66 0.23 0.00 0.04 0.00 0.00 61.00 63.60 3a18 s PRO 76 Cb -0.22 -1.90 0.71 0.00 0.04 0.00 0.00 34.50 33.13 3a18 s PRO 76 CO 0.62 -1.47 1.74 0.00 0.04 0.00 0.00 177.00 177.93 3a18 h ALA 77 N 0.15 0.94 -2.43 8.56 0.00 -1.28 -3.46 119.26 121.74 3a18 h ALA 77 Ca -0.48 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.11 3a18 h ALA 77 Cb 1.28 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.84 3a18 h ALA 77 CO 0.53 0.29 -0.19 -1.58 0.00 0.00 0.00 179.25 178.30 3a18 s HIS 78 N -3.46 -0.26 0.15 0.00 5.65 -1.15 -4.97 115.29 111.25 3a18 s HIS 78 Ca 0.02 0.39 -0.16 0.00 0.25 0.00 0.00 55.06 55.56 3a18 s HIS 78 Cb 0.09 0.16 0.03 0.00 -1.18 0.00 0.00 32.58 31.68 3a18 s HIS 78 CO 0.65 -0.44 0.43 -3.38 -0.65 0.00 0.00 174.74 171.35 3a18 s HIS 79 N -1.44 -0.16 0.13 3.88 -0.00 -1.26 -1.11 115.29 115.34 3a18 s HIS 79 Ca -0.12 -0.16 -0.08 0.00 -0.00 0.00 0.00 55.06 54.70 3a18 s HIS 79 Cb -0.04 0.29 -0.01 0.00 -0.00 0.00 0.00 32.58 32.82 3a18 s HIS 79 CO 0.04 -0.76 0.22 0.16 -0.00 0.00 0.00 174.74 174.40 3a18 s ASP 80 N -2.83 0.10 -0.05 7.38 1.47 -0.89 -5.00 116.67 116.87 3a18 s ASP 80 Ca 0.05 -0.84 0.06 0.00 1.18 0.00 0.00 52.55 53.00 3a18 s ASP 80 Cb 0.01 0.38 -0.01 0.00 -0.34 0.00 0.00 42.92 42.97 3a18 s ASP 80 CO -0.09 -0.82 -0.22 -0.76 0.68 0.00 0.00 175.17 173.96 3a18 s LEU 81 N -2.94 2.02 0.18 2.11 1.43 -1.26 -0.98 118.68 119.24 3a18 s LEU 81 Ca 0.14 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3a18 s LEU 81 Cb 0.04 -1.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 3a18 s LEU 81 CO -0.04 0.23 0.02 0.42 0.23 0.00 0.00 176.35 177.21 3a18 s THR 82 N -0.17 0.64 0.01 5.49 -4.23 -0.08 -0.62 115.64 116.68 3a18 s THR 82 Ca -0.01 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 3a18 s THR 82 Cb -0.12 -2.18 -0.01 0.00 1.34 0.00 0.00 72.50 71.52 3a18 s THR 82 CO 0.02 -0.41 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.35 3a18 s HIS 83 N -3.69 0.50 0.13 3.99 5.04 0.13 -1.07 115.29 120.32 3a18 s HIS 83 Ca 0.26 -0.24 -0.21 0.00 -1.54 0.00 0.00 55.06 53.33 3a18 s HIS 83 Cb 0.06 -0.31 0.06 0.00 0.04 0.00 0.00 32.58 32.43 3a18 s HIS 83 CO 0.05 -0.04 0.53 -3.38 -2.34 0.00 0.00 174.74 169.56 3a18 s HIS 84 N -0.60 -0.43 -0.18 3.88 -3.43 -0.77 -0.87 115.29 112.89 3a18 s HIS 84 Ca -0.03 0.23 -0.03 0.00 -0.80 0.00 0.00 55.06 54.42 3a18 s HIS 84 Cb -0.05 0.44 -0.02 0.00 -1.43 0.00 0.00 32.58 31.52 3a18 s HIS 84 CO -0.00 -0.77 -0.05 0.42 -2.00 0.00 0.00 174.74 172.34 3a18 s ILE 85 N -3.56 3.58 0.80 -5.38 1.01 -1.26 -0.12 121.20 116.28 3a18 s ILE 85 Ca 0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3a18 s ILE 85 Cb -0.00 -2.59 0.18 0.00 0.01 0.00 0.00 42.46 40.06 3a18 s ILE 85 CO -0.11 0.46 1.09 -0.90 0.00 0.00 0.00 174.94 175.48 3a18 n ASP 86 N 4.14 0.11 0.00 3.58 5.68 -0.20 -4.91 116.55 124.95 3a18 n ASP 86 Ca -0.18 -1.41 0.10 0.00 -0.50 0.00 0.00 54.79 52.80 3a18 n ASP 86 Cb 0.52 -0.83 0.59 0.00 -1.14 0.00 0.00 41.12 40.25 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 -3.69 0.00 -0.79 -1.12 0.23 -1.26 -2.14 115.26 106.49 3a18 n ASN 87 Ca 0.14 -1.33 0.10 0.00 -0.53 0.00 0.00 54.58 52.96 3a18 n ASN 87 Cb 0.48 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.26 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 -0.82 1.83 -0.69 -3.83 1.13 -1.26 -4.98 117.38 108.76 3a18 n GLN 88 Ca 0.15 -1.66 0.00 0.00 -1.94 0.00 0.00 57.00 53.54 3a18 n GLN 88 Cb 0.07 -1.39 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 1.17 0.68 3.76 1.08 0.00 -0.91 -5.05 105.19 105.91 3a18 n GLY 89 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.16 3.64 0.03 1.61 1.51 -1.26 -4.79 117.35 115.93 3a18 s TYR 90 Ca 0.00 1.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.94 3a18 s TYR 90 Cb 0.00 -2.58 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 3a18 s TYR 90 CO 0.00 0.32 0.72 -1.21 -1.11 0.00 0.00 175.55 174.27 3a18 s GLU 91 N -0.03 4.45 -0.15 -0.62 2.02 0.20 -1.04 118.70 123.53 3a18 s GLU 91 Ca 0.30 0.97 0.00 0.00 0.02 0.00 0.00 54.97 56.26 3a18 s GLU 91 Cb -0.17 -3.36 0.02 0.00 0.10 0.00 0.00 34.13 30.72 3a18 s GLU 91 CO 0.15 0.30 -0.13 -0.80 0.02 0.00 0.00 175.26 174.80 3a18 s ASN 92 N -0.07 2.68 -0.25 -0.19 0.01 0.83 -1.09 114.94 116.86 3a18 s ASN 92 Ca 0.36 -0.49 -0.13 0.00 -0.71 0.00 0.00 52.86 51.89 3a18 s ASN 92 Cb -0.20 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.27 3a18 s ASN 92 CO 0.21 -0.07 0.27 -0.76 -1.51 0.00 0.00 177.10 175.24 3a18 s LEU 93 N 1.50 4.07 -0.15 0.60 1.43 0.69 -1.85 118.68 124.98 3a18 s LEU 93 Ca 0.05 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3a18 s LEU 93 Cb -0.13 -2.27 0.02 0.00 0.03 0.00 0.00 46.19 43.84 3a18 s LEU 93 CO -0.10 -0.06 -0.17 -0.63 0.23 0.00 0.00 176.35 175.62 3a18 s ILE 94 N 1.58 1.73 -0.30 -0.59 1.01 -0.23 -0.17 121.20 124.23 3a18 s ILE 94 Ca 0.11 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 3a18 s ILE 94 Cb -0.15 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3a18 s ILE 94 CO 0.08 0.49 0.30 -0.69 0.00 0.00 0.00 174.94 175.12 3a18 s VAL 95 N 1.28 5.22 -0.24 2.92 1.01 0.16 -0.90 120.40 129.85 3a18 s VAL 95 Ca 0.02 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.10 3a18 s VAL 95 Cb -0.14 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3a18 s VAL 95 CO -0.09 0.09 0.15 0.54 0.00 0.00 0.00 175.10 175.79 3a18 s VAL 96 N 1.93 5.23 -0.01 2.92 0.11 -0.15 -0.52 120.40 129.89 3a18 s VAL 96 Ca 0.11 0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.32 3a18 s VAL 96 Cb -0.16 -3.44 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 3a18 s VAL 96 CO 0.11 0.35 -0.06 -0.83 -3.33 0.00 0.00 175.10 171.34 3a18 s GLY 97 N 1.10 1.75 -0.13 6.54 0.00 0.73 -2.09 107.32 115.23 3a18 s GLY 97 Ca 0.07 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3a18 s GLY 97 CO 0.05 -0.83 -0.16 -0.19 0.00 0.00 0.00 173.10 171.96 3a18 s TYR 98 N -0.97 2.19 0.07 1.90 2.02 -0.26 -0.64 117.35 121.65 3a18 s TYR 98 Ca 0.16 -1.11 0.06 0.00 -0.37 0.00 0.00 57.07 55.81 3a18 s TYR 98 Cb -0.11 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 3a18 s TYR 98 CO 0.06 -0.57 -0.09 -1.58 -1.57 0.00 0.00 175.55 171.80 3a18 s TRP 99 N 1.11 2.77 -1.31 2.71 0.51 -0.46 -0.68 118.94 123.59 3a18 s TRP 99 Ca -0.03 -0.13 0.28 0.00 -2.12 0.00 0.00 56.10 54.10 3a18 s TRP 99 Cb -0.14 -1.50 1.09 0.00 -0.81 0.00 0.00 33.47 32.11 3a18 s TRP 99 CO -0.05 0.39 1.79 1.63 -0.51 0.00 0.00 176.95 180.20 3a18 n LYS 100 N 1.06 0.33 -3.57 4.98 5.02 -1.26 -1.79 118.16 122.93 3a18 n LYS 100 Ca -0.14 -0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 55.88 3a18 n LYS 100 Cb 0.52 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 3a18 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a18 s ASP 101 N -2.74 -0.52 0.10 4.39 -4.77 -1.24 -4.55 116.67 107.34 3a18 s ASP 101 Ca 0.21 0.46 -0.21 0.00 -3.30 0.00 0.00 52.55 49.70 3a18 s ASP 101 Cb 0.19 0.49 -0.11 0.00 -1.09 0.00 0.00 42.92 42.40 3a18 s ASP 101 CO 0.54 -0.62 1.72 0.58 0.70 0.00 0.00 175.17 178.09 3a18 h VAL 102 N 3.08 1.06 -0.51 2.11 2.07 -1.88 -3.13 116.25 119.04 3a18 h VAL 102 Ca -0.29 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3a18 h VAL 102 Cb 1.17 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3a18 h VAL 102 CO 0.40 0.05 0.33 0.28 0.02 0.00 0.00 177.57 178.64 3a18 h SER 103 N 0.10 0.59 -0.37 0.57 0.02 -1.97 -1.30 113.55 111.20 3a18 h SER 103 Ca 0.04 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3a18 h SER 103 Cb 0.03 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3a18 h SER 103 CO -0.01 0.44 -0.21 0.77 -1.14 0.00 0.00 176.83 176.69 3a18 h SER 104 N 0.70 0.82 -0.33 3.07 4.64 -1.91 -0.31 113.55 120.22 3a18 h SER 104 Ca 0.19 -0.42 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 3a18 h SER 104 Cb -0.06 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.78 3a18 h SER 104 CO -0.04 1.06 0.07 -0.61 -0.87 0.00 0.00 176.83 176.44 3a18 h GLN 105 N 0.58 0.62 -0.19 4.77 -0.00 -1.36 -1.68 115.11 117.85 3a18 h GLN 105 Ca 0.08 -0.12 -0.14 0.00 -0.00 0.00 0.00 58.65 58.47 3a18 h GLN 105 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.15 3a18 h GLN 105 CO 0.06 0.59 -0.43 1.25 0.00 0.00 0.00 178.83 180.31 3a18 h HIS 106 N 0.61 0.79 -0.73 3.99 2.76 -0.94 -0.21 115.15 121.41 3a18 h HIS 106 Ca 0.14 -0.30 0.01 0.00 -2.20 0.00 0.00 60.37 58.02 3a18 h HIS 106 Cb 0.27 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.05 3a18 h HIS 106 CO 0.01 1.06 0.48 0.00 -1.30 0.00 0.00 177.93 178.18 3a18 h ARG 107 N 0.29 0.97 0.45 5.26 3.08 -0.92 -1.91 114.38 121.60 3a18 h ARG 107 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 3a18 h ARG 107 Cb 1.03 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3a18 h ARG 107 CO 0.09 0.64 -0.22 2.35 -1.07 0.00 0.00 179.97 181.77 3a18 h TRP 108 N 0.99 -0.56 -0.06 3.04 7.01 -1.21 -1.96 115.95 123.20 3a18 h TRP 108 Ca 0.27 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.27 3a18 h TRP 108 Cb -0.11 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.13 3a18 h TRP 108 CO -0.02 -0.26 0.05 1.03 -2.79 0.00 0.00 178.44 176.44 3a18 h SER 109 N -0.78 0.00 -0.03 2.65 0.87 -0.97 -2.27 113.55 113.02 3a18 h SER 109 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 3a18 h SER 109 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3a18 h SER 109 CO 0.10 0.00 -0.08 0.35 -0.53 0.00 0.00 176.83 176.67 3a18 n THR 110 N -4.51 0.00 -2.11 2.23 -2.24 -0.72 -3.53 114.28 103.40 3a18 n THR 110 Ca -0.01 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 60.94 3a18 n THR 110 Cb 0.15 1.42 0.02 0.00 -2.10 0.00 0.00 70.33 69.82 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 -1.93 5.55 0.20 3.42 1.04 -0.74 -4.70 113.70 116.53 3a18 s SER 111 Ca 0.24 2.35 -0.20 0.00 0.48 0.00 0.00 55.95 58.83 3a18 s SER 111 Cb 0.18 -2.60 0.16 0.00 0.10 0.00 0.00 66.02 63.86 3a18 s SER 111 CO 0.32 -1.35 1.58 0.74 0.98 0.00 0.00 173.24 175.52 3a18 h THR 112 N 1.24 0.14 -0.26 2.02 2.02 -1.90 -0.79 112.91 115.38 3a18 h THR 112 Ca -0.50 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 3a18 h THR 112 Cb 1.28 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3a18 h THR 112 CO 0.57 0.00 -0.16 -0.65 0.37 0.00 0.00 175.52 175.65 3a18 h PRO 113 N -0.12 0.44 0.03 6.66 0.11 -1.92 -0.73 132.00 136.48 3a18 h PRO 113 Ca 0.26 -0.13 -0.00 0.00 0.11 0.00 0.00 66.00 66.24 3a18 h PRO 113 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3a18 h PRO 113 CO -0.74 0.60 -0.02 0.82 -0.21 0.00 0.00 178.00 178.45 3a18 h ILE 114 N 0.41 1.22 -0.71 4.15 1.08 -1.67 -3.12 117.51 118.87 3a18 h ILE 114 Ca 0.07 -1.73 -0.04 0.00 -0.39 0.00 0.00 64.86 62.77 3a18 h ILE 114 Cb 0.52 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 3a18 h ILE 114 CO 0.03 0.38 0.28 0.00 -0.69 0.00 0.00 178.15 178.15 3a18 h ALA 115 N -0.21 1.14 -0.58 1.87 0.00 -1.15 -1.96 119.26 118.36 3a18 h ALA 115 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3a18 h ALA 115 Cb 0.67 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3a18 h ALA 115 CO 0.01 0.61 0.04 0.66 0.00 0.00 0.00 179.25 180.57 3a18 h SER 116 N 1.03 0.95 -0.24 0.00 4.64 -1.27 -0.92 113.55 117.74 3a18 h SER 116 Ca 0.24 -0.24 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3a18 h SER 116 Cb 0.21 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3a18 h SER 116 CO -0.02 0.98 0.11 -0.25 -0.87 0.00 0.00 176.83 176.78 3a18 h TRP 117 N 0.91 0.36 -0.51 4.77 7.01 -1.42 -2.18 115.95 124.90 3a18 h TRP 117 Ca 0.17 -0.02 -0.12 0.00 2.11 0.00 0.00 58.89 61.03 3a18 h TRP 117 Cb 0.48 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.41 3a18 h TRP 117 CO 0.03 0.37 -0.16 2.35 -2.79 0.00 0.00 178.44 178.24 3a18 h TRP 118 N 0.25 1.14 -0.00 2.65 2.91 -1.19 -3.15 115.95 118.55 3a18 h TRP 118 Ca 0.08 -0.26 0.00 0.00 1.13 0.00 0.00 58.89 59.85 3a18 h TRP 118 Cb 0.15 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 3a18 h TRP 118 CO -0.01 1.08 -0.23 0.39 -1.03 0.00 0.00 178.44 178.63 3a18 n GLU 119 N -4.13 0.39 -1.78 2.65 1.02 -0.37 -4.90 120.64 113.53 3a18 n GLU 119 Ca 0.01 -0.17 -0.40 0.00 -0.02 0.00 0.00 57.16 56.59 3a18 n GLU 119 Cb 0.43 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 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 -2.73 5.70 0.58 1.62 0.15 -0.82 -4.88 113.70 113.32 3a18 s SER 120 Ca 0.20 2.90 0.34 0.00 0.70 0.00 0.00 55.95 60.10 3a18 s SER 120 Cb 0.19 -2.65 1.79 0.00 -1.71 0.00 0.00 66.02 63.64 3a18 s SER 120 CO 0.56 -1.29 2.17 -0.33 1.20 0.00 0.00 173.24 175.55 3a18 h GLU 121 N 2.10 0.00 0.00 5.44 3.07 -1.91 -2.40 114.58 120.88 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 1.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.18 3a18 h GLU 121 CO 0.60 0.05 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.75 3a18 h ASP 122 N 0.00 0.00 0.25 1.42 5.19 -1.93 -1.79 116.42 119.57 3a18 h ASP 122 Ca -0.00 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.34 3a18 h ASP 122 Cb 0.23 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3a18 h ASP 122 CO 0.01 0.07 -0.29 0.03 -3.12 0.00 0.00 179.24 175.94 3a18 h ARG 123 N 0.00 0.07 0.05 3.56 2.47 -1.72 -0.70 114.38 118.10 3a18 h ARG 123 Ca -0.00 -0.02 -0.24 0.00 -1.26 0.00 0.00 59.98 58.46 3a18 h ARG 123 Cb 0.26 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.55 3a18 h ARG 123 CO 0.01 0.36 -1.14 -0.07 0.56 0.00 0.00 179.97 179.69 3a18 h LEU 124 N 0.06 0.15 0.00 3.04 3.38 -1.51 -3.36 115.31 117.07 3a18 h LEU 124 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3a18 h LEU 124 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3a18 h LEU 124 CO 0.04 1.13 -0.58 -1.54 0.09 0.00 0.00 178.44 177.58 3a18 n SER 125 N -3.40 0.60 0.25 -0.43 3.41 -1.04 -4.14 113.62 108.87 3a18 n SER 125 Ca -0.04 -0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.66 3a18 n SER 125 Cb 0.98 0.19 0.66 0.00 -0.26 0.00 0.00 64.21 65.78 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 -1.28 -3.46 116.42 119.04 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 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 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 -1.53 2.86 3.86 2.75 0.00 -1.26 -5.02 105.19 106.84 3a18 n GLY 127 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.33 0.05 0.99 1.43 -1.26 -5.00 118.68 118.21 3a18 s LEU 128 Ca 0.00 1.49 -0.16 0.00 -1.03 0.00 0.00 54.13 54.43 3a18 s LEU 128 Cb 0.00 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.67 3a18 s LEU 128 CO 0.00 -0.87 0.47 -0.83 0.23 0.00 0.00 176.35 175.35 3a18 s GLY 129 N -3.82 2.52 0.02 -3.19 0.00 0.77 -4.67 107.32 98.95 3a18 s GLY 129 Ca 0.57 -0.15 0.06 0.00 0.00 0.00 0.00 44.72 45.20 3a18 s GLY 129 CO 0.48 0.21 -0.17 -1.36 0.00 0.00 0.00 173.10 172.26 3a18 s PHE 130 N -1.16 1.52 0.01 1.90 0.08 0.19 0.00 117.98 120.52 3a18 s PHE 130 Ca 0.28 -0.33 -0.09 0.00 0.12 0.00 0.00 56.93 56.91 3a18 s PHE 130 Cb -0.17 -0.93 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 3a18 s PHE 130 CO 0.16 0.03 0.17 -0.59 -0.10 0.00 0.00 175.22 174.89 3a18 s PHE 131 N -0.64 0.02 -0.14 0.36 -0.12 -0.82 -0.10 117.98 116.54 3a18 s PHE 131 Ca 0.05 -0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 56.80 3a18 s PHE 131 Cb -0.08 -0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3a18 s PHE 131 CO 0.01 -0.34 -0.05 1.03 -0.05 0.00 0.00 175.22 175.82 3a18 s ARG 132 N -1.70 1.37 -0.43 1.99 0.52 0.27 -0.55 118.95 120.41 3a18 s ARG 132 Ca -0.12 -0.36 0.02 0.00 -0.52 0.00 0.00 55.73 54.75 3a18 s ARG 132 Cb -0.06 -1.77 0.12 0.00 0.52 0.00 0.00 34.95 33.76 3a18 s ARG 132 CO 0.00 -0.37 0.18 -1.21 0.02 0.00 0.00 175.30 173.92 3a18 s GLU 133 N 1.70 1.82 -0.18 3.54 2.02 -0.18 -0.35 118.70 127.07 3a18 s GLU 133 Ca 0.03 -2.15 -0.01 0.00 0.02 0.00 0.00 54.97 52.86 3a18 s GLU 133 Cb -0.14 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.73 3a18 s GLU 133 CO -0.08 -1.03 -0.13 0.42 0.02 0.00 0.00 175.26 174.46 3a18 s ILE 134 N 0.51 2.71 0.03 -1.63 1.01 -0.02 -1.41 121.20 122.40 3a18 s ILE 134 Ca 0.13 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.08 3a18 s ILE 134 Cb -0.22 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 3a18 s ILE 134 CO -0.05 0.49 -0.10 0.68 0.00 0.00 0.00 174.94 175.97 3a18 s VAL 135 N 1.15 0.72 -0.46 2.92 -7.23 -0.33 -0.65 120.40 116.52 3a18 s VAL 135 Ca 0.01 -0.91 0.04 0.00 -1.81 0.00 0.00 61.98 59.31 3a18 s VAL 135 Cb -0.14 -0.71 0.17 0.00 0.56 0.00 0.00 36.38 36.26 3a18 s VAL 135 CO -0.05 -0.16 0.36 0.00 -0.31 0.00 0.00 175.10 174.94 3a18 s ALA 136 N -0.97 1.83 0.26 1.32 0.00 0.17 -0.12 121.76 124.25 3a18 s ALA 136 Ca -0.04 -2.68 -0.30 0.00 0.00 0.00 0.00 51.96 48.95 3a18 s ALA 136 Cb -0.08 -1.70 -0.09 0.00 0.00 0.00 0.00 23.12 21.25 3a18 s ALA 136 CO 0.01 -2.00 0.99 -1.25 0.00 0.00 0.00 175.76 173.51 3a18 s PRO 137 N -0.16 4.77 0.86 0.00 0.04 -1.22 -4.81 135.00 134.48 3a18 s PRO 137 Ca 0.30 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 3a18 s PRO 137 Cb 0.00 -3.23 0.11 0.00 0.04 0.00 0.00 34.50 31.42 3a18 s PRO 137 CO -0.18 0.41 1.09 1.03 0.04 0.00 0.00 177.00 179.39 3a18 s ARG 138 N -1.31 1.58 0.44 4.56 0.52 -1.26 -1.84 118.95 121.64 3a18 s ARG 138 Ca 0.43 1.00 0.17 0.00 -0.52 0.00 0.00 55.73 56.80 3a18 s ARG 138 Cb -0.28 -1.83 1.10 0.00 0.52 0.00 0.00 34.95 34.46 3a18 s ARG 138 CO 0.35 -2.07 1.94 0.00 0.02 0.00 0.00 175.30 175.54 3a18 h ALA 139 N -1.43 2.16 0.00 2.13 0.00 -1.39 0.20 119.26 120.93 3a18 h ALA 139 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3a18 h ALA 139 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3a18 h ALA 139 CO 0.52 -0.35 0.00 -0.85 0.00 0.00 0.00 179.25 178.58 3a18 n GLU 140 N -4.46 0.10 -0.36 0.00 0.28 -1.26 -3.86 120.64 111.08 3a18 n GLU 140 Ca 0.13 0.08 0.07 0.00 -0.16 0.00 0.00 57.16 57.29 3a18 n GLU 140 Cb 0.52 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 32.13 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 -1.44 3.08 -3.94 3.44 6.02 0.71 -1.53 117.38 123.72 3a18 n GLN 141 Ca 0.07 -2.50 -0.09 0.00 -0.01 0.00 0.00 57.00 54.47 3a18 n GLN 141 Cb 0.26 -1.60 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 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 -1.79 0.24 0.07 1.08 -0.12 -1.24 -0.72 117.98 115.50 3a18 s PHE 142 Ca 0.36 -0.61 0.03 0.00 -0.05 0.00 0.00 56.93 56.65 3a18 s PHE 142 Cb 0.24 -0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.43 3a18 s PHE 142 CO 0.16 -0.40 -0.09 -1.83 -0.05 0.00 0.00 175.22 173.00 3a18 s GLU 143 N -3.08 0.69 0.14 1.99 4.04 0.46 -4.57 118.70 118.36 3a18 s GLU 143 Ca -0.01 -0.95 0.06 0.00 0.04 0.00 0.00 54.97 54.10 3a18 s GLU 143 Cb 0.02 -0.43 -0.04 0.00 0.02 0.00 0.00 34.13 33.69 3a18 s GLU 143 CO -0.07 0.07 -0.13 0.95 -1.84 0.00 0.00 175.26 174.24 3a18 s THR 144 N -1.88 1.35 -0.18 1.83 -4.23 -1.26 -0.88 115.64 110.38 3a18 s THR 144 Ca -0.02 -1.84 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3a18 s THR 144 Cb -0.07 -1.65 0.08 0.00 1.34 0.00 0.00 72.50 72.20 3a18 s THR 144 CO 0.00 -0.50 0.40 -0.22 -0.54 0.00 0.00 174.62 173.76 3a18 s LEU 145 N -2.70 -0.39 -0.04 4.79 2.96 -0.18 -4.67 118.68 118.46 3a18 s LEU 145 Ca 0.12 0.92 0.05 0.00 -0.22 0.00 0.00 54.13 55.00 3a18 s LEU 145 Cb -0.03 1.29 -0.01 0.00 0.50 0.00 0.00 46.19 47.95 3a18 s LEU 145 CO 0.03 -0.22 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.35 3a18 s TYR 146 N 2.10 1.84 -0.31 5.38 2.02 0.73 -1.04 117.35 128.06 3a18 s TYR 146 Ca -0.05 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.18 3a18 s TYR 146 Cb -0.11 -1.22 0.36 0.00 -0.40 0.00 0.00 41.96 40.59 3a18 s TYR 146 CO -0.12 -0.15 1.40 0.00 -1.57 0.00 0.00 175.55 175.11 3a18 n ALA 147 N 3.01 3.90 -3.71 3.71 0.00 -0.72 -0.89 120.51 125.82 3a18 n ALA 147 Ca -0.17 -1.37 -0.08 0.00 0.00 0.00 0.00 53.44 51.81 3a18 n ALA 147 Cb 0.53 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.73 -0.28 -0.04 0.00 -0.12 -1.26 -4.82 117.98 109.72 3a18 s PHE 148 Ca 0.29 -0.07 0.11 0.00 -0.05 0.00 0.00 56.93 57.21 3a18 s PHE 148 Cb 0.24 0.65 -0.17 0.00 -0.63 0.00 0.00 43.02 43.11 3a18 s PHE 148 CO 0.06 -1.05 0.20 1.04 -0.05 0.00 0.00 175.22 175.42 3a18 n GLN 149 N -0.43 0.84 -4.31 1.99 6.02 -1.26 -4.69 117.38 115.54 3a18 n GLN 149 Ca -0.08 -0.08 -0.23 0.00 -0.01 0.00 0.00 57.00 56.60 3a18 n GLN 149 Cb 0.61 -1.28 -0.08 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 -2.67 2.21 -1.19 -1.09 1.03 -1.26 -4.80 118.70 110.92 3a18 s GLU 150 Ca -0.05 -1.49 -0.18 0.00 0.03 0.00 0.00 54.97 53.28 3a18 s GLU 150 Cb 0.06 -2.10 -0.00 0.00 -0.80 0.00 0.00 34.13 31.29 3a18 s GLU 150 CO 0.48 0.33 0.72 -3.47 -1.33 0.00 0.00 175.26 171.99 3a18 n ASP 151 N -0.88 -4.30 -4.70 0.83 2.03 -1.26 -4.85 116.55 103.42 3a18 n ASP 151 Ca -0.06 -1.03 -0.42 0.00 0.52 0.00 0.00 54.79 53.80 3a18 n ASP 151 Cb 0.59 -3.24 -0.03 0.00 -0.72 0.00 0.00 41.12 37.72 3a18 n ASP 151 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3a18 s LEU 152 N -6.62 4.38 0.83 -2.67 1.43 -1.26 -5.02 118.68 109.74 3a18 s LEU 152 Ca 0.39 2.62 -0.12 0.00 -1.03 0.00 0.00 54.13 55.99 3a18 s LEU 152 Cb -0.14 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.62 3a18 s LEU 152 CO 0.87 -0.92 1.18 -2.16 0.23 0.00 0.00 176.35 175.55 3a18 s PRO 153 N 2.40 1.66 5.77 1.29 0.04 -1.26 -3.17 135.00 141.73 3a18 s PRO 153 Ca 0.76 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.66 3a18 s PRO 153 Cb -0.43 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3a18 s PRO 153 CO 0.33 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 176.05 3a18 n GLY 154 N -3.34 2.90 0.23 0.56 0.00 -1.26 -2.77 105.19 101.51 3a18 n GLY 154 Ca 0.10 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.90 -0.06 1.61 3.04 -2.00 -2.07 116.25 117.67 3a18 h VAL 155 Ca 0.00 -0.73 0.02 0.00 -1.01 0.00 0.00 66.70 64.98 3a18 h VAL 155 Cb 0.00 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3a18 h VAL 155 CO 0.00 0.19 0.06 1.23 -1.01 0.00 0.00 177.57 178.04 3a18 h GLY 156 N 0.84 0.00 2.00 3.17 0.00 -1.80 -1.77 103.07 105.50 3a18 h GLY 156 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3a18 h GLY 156 CO 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.49 3a18 h ALA 157 N 1.94 1.07 -0.01 3.60 0.00 -1.32 -2.82 119.26 121.72 3a18 h ALA 157 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a18 h ALA 157 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3a18 h ALA 157 CO -0.00 0.09 -0.57 1.33 0.00 0.00 0.00 179.25 180.10 3a18 n VAL 158 N -3.29 0.00 -1.72 0.00 0.24 -0.68 -4.94 118.33 107.94 3a18 n VAL 158 Ca -0.01 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 3a18 n VAL 158 Cb 0.28 1.14 0.20 0.00 -1.47 0.00 0.00 33.84 33.98 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 0.14 0.18 7.34 -1.94 -1.07 -4.94 119.30 116.64 3a18 s MET 159 Ca 0.12 -0.34 0.13 0.00 -1.71 0.00 0.00 55.69 53.89 3a18 s MET 159 Cb 0.15 -1.78 -0.06 0.00 2.01 0.00 0.00 34.83 35.14 3a18 s MET 159 CO 0.58 -2.76 1.24 -0.44 -0.01 0.00 0.00 175.02 173.63 3a18 h ASP 160 N -1.89 0.00 0.00 3.03 3.32 -0.64 -3.49 116.42 116.75 3a18 h ASP 160 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 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 0.36 0.68 0.00 0.61 -1.72 0.00 0.00 179.24 179.17 3a18 n GLY 161 N 1.31 -0.54 3.53 2.75 0.00 -0.71 -5.00 105.19 106.53 3a18 n GLY 161 Ca -0.02 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.07 3.21 0.94 -0.61 1.10 -1.26 -0.30 121.20 121.21 3a18 s ILE 162 Ca 0.00 -1.05 -0.15 0.00 -0.51 0.00 0.00 60.65 58.94 3a18 s ILE 162 Cb 0.00 -2.40 0.19 0.00 0.15 0.00 0.00 42.46 40.40 3a18 s ILE 162 CO 0.00 0.32 1.30 -0.94 -2.11 0.00 0.00 174.94 173.51 3a18 s SER 163 N -1.56 3.27 0.90 4.50 1.04 -0.22 -4.80 113.70 116.82 3a18 s SER 163 Ca 0.17 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.88 3a18 s SER 163 Cb -0.11 -0.39 0.03 0.00 0.10 0.00 0.00 66.02 65.65 3a18 s SER 163 CO 0.08 -2.64 0.16 0.61 0.98 0.00 0.00 173.24 172.43 3a18 n GLY 164 N -3.71 -0.83 3.73 7.32 0.00 -1.26 -4.75 105.19 105.69 3a18 n GLY 164 Ca 0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.26 4.22 0.20 1.61 2.02 -1.26 -4.56 118.70 117.67 3a18 s GLU 165 Ca 0.09 2.36 0.04 0.00 0.02 0.00 0.00 54.97 57.49 3a18 s GLU 165 Cb -0.00 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3a18 s GLU 165 CO 0.07 -0.55 0.28 0.96 0.02 0.00 0.00 175.26 176.04 3a18 s ILE 166 N 0.66 5.08 -0.05 -1.63 -4.36 -0.91 -3.40 121.20 116.59 3a18 s ILE 166 Ca 0.66 -0.94 -0.12 0.00 -0.26 0.00 0.00 60.65 59.99 3a18 s ILE 166 Cb -0.44 -3.68 -0.31 0.00 1.25 0.00 0.00 42.46 39.29 3a18 s ILE 166 CO 0.37 -0.21 0.68 -1.13 0.24 0.00 0.00 174.94 174.89 3a18 h ASN 167 N 1.76 0.62 -0.24 4.36 -0.73 -1.67 -3.43 115.58 116.25 3a18 h ASN 167 Ca -0.50 -0.93 -0.71 0.00 1.87 0.00 0.00 56.30 56.03 3a18 h ASN 167 Cb 1.21 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.56 3a18 h ASN 167 CO 0.64 1.77 3.13 -0.62 -0.37 0.00 0.00 177.43 181.99 3a18 n GLU 168 N -3.64 3.25 -3.61 6.67 4.71 -1.26 -4.56 120.64 122.21 3a18 n GLU 168 Ca -0.24 -2.67 -0.10 0.00 -0.01 0.00 0.00 57.16 54.14 3a18 n GLU 168 Cb 1.06 -3.09 -0.02 0.00 -1.01 0.00 0.00 31.44 28.38 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 2.36 -0.36 0.00 -0.32 -3.43 -1.26 -4.67 115.29 107.61 3a18 s HIS 169 Ca 0.52 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.83 3a18 s HIS 169 Cb 0.15 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 3a18 s HIS 169 CO -0.07 -0.98 0.00 0.41 -2.00 0.00 0.00 174.74 172.10 3a18 n GLY 170 N -0.40 0.94 3.30 -1.38 0.00 -1.26 -4.64 105.19 101.75 3a18 n GLY 170 Ca -0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.32 0.18 1.61 1.13 -1.26 -4.96 117.35 111.73 3a18 s TYR 171 Ca 0.00 0.61 -0.32 0.00 -1.41 0.00 0.00 57.07 55.96 3a18 s TYR 171 Cb 0.00 0.16 -0.11 0.00 -1.10 0.00 0.00 41.96 40.91 3a18 s TYR 171 CO 0.00 -0.38 1.68 -1.58 -2.51 0.00 0.00 175.55 172.76 3a18 s TRP 172 N -0.91 2.86 0.00 -3.49 0.52 -1.26 -1.41 118.94 115.25 3a18 s TRP 172 Ca -0.10 0.40 0.00 0.00 0.02 0.00 0.00 56.10 56.42 3a18 s TRP 172 Cb -0.04 -4.07 0.00 0.00 -1.15 0.00 0.00 33.47 28.21 3a18 s TRP 172 CO 0.04 -4.06 0.00 0.41 0.02 0.00 0.00 176.95 173.36 3a18 n GLY 173 N 3.93 0.22 0.26 0.98 0.00 -1.26 -4.97 105.19 104.35 3a18 n GLY 173 Ca 0.15 0.00 -0.12 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 0.92 -0.29 1.61 4.64 -1.56 -2.96 113.55 115.91 3a18 h SER 174 Ca 0.00 -0.41 0.07 0.00 -0.47 0.00 0.00 61.79 60.98 3a18 h SER 174 Cb 0.00 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 61.76 3a18 h SER 174 CO 0.00 1.18 -0.23 -0.03 -0.87 0.00 0.00 176.83 176.89 3a18 h MET 175 N 0.71 -0.20 -0.66 4.77 -1.53 -1.83 -1.66 114.93 114.53 3a18 h MET 175 Ca 0.06 0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.41 3a18 h MET 175 Cb 0.95 0.05 -0.06 0.00 -0.55 0.00 0.00 31.60 31.98 3a18 h MET 175 CO 0.09 -0.13 0.34 -0.09 0.14 0.00 0.00 176.91 177.25 3a18 h ARG 176 N -0.21 0.58 0.00 0.39 2.43 -1.96 -1.58 114.38 114.04 3a18 h ARG 176 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3a18 h ARG 176 Cb 0.45 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3a18 h ARG 176 CO -0.41 0.39 0.00 0.39 -1.51 0.00 0.00 179.97 178.82 3a18 n GLU 177 N -4.85 0.12 0.13 0.20 1.02 -0.70 -1.83 120.64 114.72 3a18 n GLU 177 Ca 0.09 0.42 0.12 0.00 -0.02 0.00 0.00 57.16 57.77 3a18 n GLU 177 Cb 0.22 -1.76 0.08 0.00 -0.02 0.00 0.00 31.44 29.97 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 -6.25 3.49 3.08 -0.47 -3.45 114.38 110.78 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 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3a18 h ARG 178 CO 0.00 0.00 1.07 -0.06 -1.07 0.00 0.00 179.97 179.91 3a18 s PHE 179 N -3.29 2.20 0.54 3.04 0.40 -0.76 -4.59 117.98 115.52 3a18 s PHE 179 Ca 0.03 0.50 0.24 0.00 -0.60 0.00 0.00 56.93 57.10 3a18 s PHE 179 Cb 0.09 -3.87 1.41 0.00 0.51 0.00 0.00 43.02 41.17 3a18 s PHE 179 CO 0.74 -3.03 2.05 -1.35 0.70 0.00 0.00 175.22 174.33 3a18 h PRO 180 N 9.80 0.00 0.00 0.24 0.11 -1.79 -0.98 132.00 139.37 3a18 h PRO 180 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3a18 h PRO 180 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a18 h PRO 180 CO 0.98 0.00 0.00 0.97 -0.21 0.00 0.00 178.00 179.74 3a18 h ILE 181 N 0.00 0.00 0.00 4.15 2.10 -1.62 -2.89 117.51 119.25 3a18 h ILE 181 Ca 0.17 -0.48 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3a18 h ILE 181 Cb 0.70 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3a18 h ILE 181 CO -0.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.53 3a18 n SER 182 N -2.92 0.54 0.27 2.19 3.41 -0.37 -0.29 113.62 116.45 3a18 n SER 182 Ca 0.01 0.75 0.15 0.00 -0.26 0.00 0.00 58.87 59.52 3a18 n SER 182 Cb 0.30 -0.82 0.75 0.00 -0.26 0.00 0.00 64.21 64.19 3a18 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a18 h GLN 183 N 0.00 0.00 0.00 4.33 4.20 -1.69 -3.37 115.11 118.57 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 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3a18 h GLN 183 CO 0.00 0.08 -0.03 0.25 -0.67 0.00 0.00 178.83 178.46 3a18 n THR 184 N -3.33 0.00 -4.46 -0.54 -2.24 -0.50 -1.40 114.28 101.81 3a18 n THR 184 Ca -0.01 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 3a18 n THR 184 Cb 0.26 0.35 -0.15 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.07 1.32 0.08 3.42 -1.08 0.60 -4.79 116.67 116.14 3a18 s ASP 185 Ca 0.00 -0.23 0.23 0.00 -0.52 0.00 0.00 52.55 52.03 3a18 s ASP 185 Cb 0.00 -0.14 0.94 0.00 -1.46 0.00 0.00 42.92 42.27 3a18 s ASP 185 CO 0.00 0.12 1.73 0.79 0.52 0.00 0.00 175.17 178.33 3a18 n TRP 186 N 2.70 0.29 -3.94 -5.34 7.02 -1.26 -4.10 117.44 112.80 3a18 n TRP 186 Ca -0.14 0.10 -0.28 0.00 -1.02 0.00 0.00 57.50 56.15 3a18 n TRP 186 Cb 0.56 -0.66 0.01 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.75 -4.40 -2.58 -0.99 2.81 -1.26 -4.90 117.12 104.05 3a18 n MET 187 Ca 0.05 0.51 -0.41 0.00 -1.81 0.00 0.00 57.70 56.04 3a18 n MET 187 Cb 0.29 -5.11 -0.04 0.00 -0.71 0.00 0.00 33.22 27.65 3a18 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a18 s GLN 188 N -6.52 4.60 0.28 0.03 0.74 -1.26 -4.61 119.66 112.93 3a18 s GLN 188 Ca 0.37 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 57.11 3a18 s GLN 188 Cb -0.19 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 3a18 s GLN 188 CO 0.86 0.06 1.05 0.00 -0.55 0.00 0.00 175.29 176.71 3a18 s ALA 189 N 0.11 3.35 0.14 1.58 0.00 -1.26 -4.62 121.76 121.06 3a18 s ALA 189 Ca 0.50 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 3a18 s ALA 189 Cb -0.27 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3a18 s ALA 189 CO 0.32 -0.06 0.37 -1.54 0.00 0.00 0.00 175.76 174.85 3a18 s SER 190 N -1.05 -0.13 0.00 0.00 1.04 -1.16 -5.05 113.70 107.35 3a18 s SER 190 Ca 0.45 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.38 3a18 s SER 190 Cb -0.29 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3a18 s SER 190 CO 0.37 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.32 3a18 n GLY 191 N -0.22 -2.68 3.38 7.32 0.00 -1.26 -3.00 105.19 108.72 3a18 n GLY 191 Ca -0.13 -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 -0.88 1.40 -0.28 1.61 8.01 -1.26 -4.94 118.70 122.36 3a18 s GLU 192 Ca 0.00 -1.54 -0.29 0.00 0.01 0.00 0.00 54.97 53.15 3a18 s GLU 192 Cb 0.00 -1.44 -0.01 0.00 -4.31 0.00 0.00 34.13 28.37 3a18 s GLU 192 CO 0.00 0.28 1.53 -1.17 0.01 0.00 0.00 175.26 175.91 3a18 s LEU 193 N -3.00 3.80 -0.06 1.80 2.96 -1.26 -4.22 118.68 118.70 3a18 s LEU 193 Ca 0.21 1.37 0.05 0.00 -0.22 0.00 0.00 54.13 55.54 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 0.09 -1.29 -0.22 -0.13 -1.32 0.00 0.00 176.35 173.47 3a18 s ARG 194 N 4.70 2.41 -0.11 1.98 0.52 -0.63 -0.16 118.95 127.66 3a18 s ARG 194 Ca 0.67 -0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 54.78 3a18 s ARG 194 Cb -0.21 -2.00 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 3a18 s ARG 194 CO 0.29 0.30 1.25 0.08 0.02 0.00 0.00 175.30 177.24 3a18 s VAL 195 N 0.01 4.23 -0.53 3.52 1.01 -0.49 -0.23 120.40 127.92 3a18 s VAL 195 Ca -0.07 1.52 0.11 0.00 0.00 0.00 0.00 61.98 63.54 3a18 s VAL 195 Cb -0.14 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.14 3a18 s VAL 195 CO 0.04 -0.07 0.47 2.30 0.00 0.00 0.00 175.10 177.85 3a18 n ILE 196 N 5.02 0.00 -3.66 2.22 -5.35 -0.05 -4.34 119.36 113.20 3a18 n ILE 196 Ca 0.13 -0.24 -0.13 0.00 -0.27 0.00 0.00 62.75 62.25 3a18 n ILE 196 Cb 0.45 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.27 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 -2.06 -1.54 0.00 -1.28 0.00 -1.18 -4.98 121.76 110.73 3a18 s ALA 197 Ca 0.04 1.82 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3a18 s ALA 197 Cb 0.08 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.14 3a18 s ALA 197 CO 0.46 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3a18 n GLY 198 N 3.08 -2.02 2.99 0.00 0.00 -1.26 -1.04 105.19 106.93 3a18 n GLY 198 Ca -0.15 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 0.42 0.48 1.61 -1.08 -1.26 -4.80 116.67 108.04 3a18 s ASP 199 Ca 0.00 0.50 0.23 0.00 -0.52 0.00 0.00 52.55 52.76 3a18 s ASP 199 Cb 0.00 0.74 1.26 0.00 -1.46 0.00 0.00 42.92 43.46 3a18 s ASP 199 CO 0.00 -0.25 1.93 -0.65 0.52 0.00 0.00 175.17 176.72 3a18 h PRO 200 N 8.28 0.18 0.00 4.34 0.11 -1.92 -0.85 132.00 142.14 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 0.16 0.12 -0.15 0.00 -0.21 0.00 0.00 178.00 177.92 3a18 h ALA 201 N 1.65 1.02 0.00 -0.75 0.00 -1.96 -3.12 119.26 116.11 3a18 h ALA 201 Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3a18 h ALA 201 Cb 1.13 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3a18 h ALA 201 CO -0.06 0.19 -1.41 0.28 0.00 0.00 0.00 179.25 178.25 3a18 n VAL 202 N -3.30 0.41 -4.13 0.00 0.31 -0.35 -5.08 118.33 106.18 3a18 n VAL 202 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3a18 n VAL 202 Cb 0.39 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 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 1.22 0.08 7.00 2.92 0.00 -1.02 -5.03 105.19 110.37 3a18 n GLY 203 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 1.80 3.67 -0.02 0.00 -1.26 -4.59 105.19 104.80 3a18 n GLY 204 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 4.26 -0.05 1.61 0.52 -1.26 -1.43 118.95 122.60 3a18 s ARG 205 Ca 0.00 0.70 0.03 0.00 -0.52 0.00 0.00 55.73 55.94 3a18 s ARG 205 Cb 0.00 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.92 3a18 s ARG 205 CO 0.00 -0.20 -0.14 0.08 0.02 0.00 0.00 175.30 175.06 3a18 s VAL 206 N 1.75 1.24 -0.17 3.52 1.01 -0.01 -4.25 120.40 123.48 3a18 s VAL 206 Ca 0.31 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3a18 s VAL 206 Cb -0.16 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3a18 s VAL 206 CO 0.11 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.72 3a18 s VAL 207 N 0.22 2.38 -0.14 2.92 1.01 -0.21 -1.09 120.40 125.50 3a18 s VAL 207 Ca -0.06 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 3a18 s VAL 207 Cb -0.12 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3a18 s VAL 207 CO 0.02 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 3a18 s VAL 208 N 1.12 3.23 -0.15 2.92 1.01 0.80 -0.87 120.40 128.47 3a18 s VAL 208 Ca 0.01 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3a18 s VAL 208 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3a18 s VAL 208 CO -0.07 0.51 0.13 -0.60 0.00 0.00 0.00 175.10 175.08 3a18 s ARG 209 N 0.42 3.74 0.93 2.72 3.52 0.67 -1.74 118.95 129.21 3a18 s ARG 209 Ca -0.08 -0.18 -0.14 0.00 -0.13 0.00 0.00 55.73 55.20 3a18 s ARG 209 Cb -0.15 -3.27 0.16 0.00 -1.56 0.00 0.00 34.95 30.12 3a18 s ARG 209 CO 0.04 0.58 1.20 0.20 -0.81 0.00 0.00 175.30 176.51 3a18 s GLY 210 N -0.45 1.64 0.31 8.12 0.00 -1.26 -1.61 107.32 114.06 3a18 s GLY 210 Ca 0.12 -0.79 0.10 0.00 0.00 0.00 0.00 44.72 44.15 3a18 s GLY 210 CO 0.02 -0.15 -0.04 -2.38 0.00 0.00 0.00 173.10 170.54 3a18 s HIS 211 N -3.49 2.53 -0.07 1.90 -3.43 -1.26 -4.61 115.29 106.86 3a18 s HIS 211 Ca 0.67 -0.36 -0.39 0.00 -0.80 0.00 0.00 55.06 54.18 3a18 s HIS 211 Cb -0.10 -1.30 -0.18 0.00 -1.43 0.00 0.00 32.58 29.57 3a18 s HIS 211 CO 0.52 0.57 1.38 -0.25 -2.00 0.00 0.00 174.74 174.97 3a18 n ASP 212 N -0.86 1.35 -2.21 7.38 8.00 -1.16 -2.76 116.55 126.29 3a18 n ASP 212 Ca -0.05 1.13 -0.17 0.00 0.71 0.00 0.00 54.79 56.41 3a18 n ASP 212 Cb 0.61 -1.08 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 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 3.00 -4.98 -4.78 -2.24 3.02 0.85 -2.98 115.26 107.16 3a18 n ASN 213 Ca 0.22 -0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3a18 n ASN 213 Cb 0.13 -3.91 -0.00 0.00 -0.61 0.00 0.00 39.78 35.38 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 -2.96 2.05 -0.03 2.41 1.01 -1.11 -4.01 121.20 118.55 3a18 s ILE 214 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3a18 s ILE 214 Cb -0.07 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3a18 s ILE 214 CO 0.20 0.01 -0.05 0.00 0.00 0.00 0.00 174.94 175.10 3a18 s ALA 215 N -1.11 3.06 -0.14 9.38 0.00 -0.67 -3.03 121.76 129.24 3a18 s ALA 215 Ca 0.53 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.56 3a18 s ALA 215 Cb -0.47 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.45 3a18 s ALA 215 CO 0.63 0.60 -0.21 -1.17 0.00 0.00 0.00 175.76 175.62 3a18 s LEU 216 N -1.18 2.05 -0.14 0.00 2.96 -0.19 0.05 118.68 122.23 3a18 s LEU 216 Ca 0.15 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3a18 s LEU 216 Cb -0.11 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 3a18 s LEU 216 CO 0.05 0.06 -0.09 -0.51 -1.32 0.00 0.00 176.35 174.55 3a18 s ILE 217 N 0.91 3.46 -0.31 6.68 2.07 0.40 -1.47 121.20 132.94 3a18 s ILE 217 Ca -0.05 -0.51 -0.03 0.00 -1.41 0.00 0.00 60.65 58.64 3a18 s ILE 217 Cb -0.15 -2.49 0.04 0.00 0.13 0.00 0.00 42.46 40.00 3a18 s ILE 217 CO -0.03 0.51 0.02 -0.60 -1.91 0.00 0.00 174.94 172.93 3a18 s ARG 218 N 0.33 2.51 -0.20 3.50 3.52 -0.13 -1.10 118.95 127.38 3a18 s ARG 218 Ca -0.07 -1.22 0.01 0.00 -0.13 0.00 0.00 55.73 54.31 3a18 s ARG 218 Cb -0.15 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.02 3a18 s ARG 218 CO 0.04 -0.61 -0.17 0.45 -0.81 0.00 0.00 175.30 174.20 3a18 s SER 219 N 1.30 3.44 0.25 -2.12 0.15 -0.98 -0.91 113.70 114.83 3a18 s SER 219 Ca -0.04 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 56.00 3a18 s SER 219 Cb -0.19 -1.52 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 3a18 s SER 219 CO -0.00 -0.03 -0.14 -0.83 1.20 0.00 0.00 173.24 173.44 3a18 s GLY 220 N 1.29 1.78 -0.03 9.45 0.00 0.11 -0.89 107.32 119.03 3a18 s GLY 220 Ca 0.03 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 43.04 3a18 s GLY 220 CO -0.11 -1.79 -0.06 1.20 0.00 0.00 0.00 173.10 172.34 3a18 s GLN 221 N -3.33 0.78 -0.21 2.90 1.11 -0.27 -2.58 119.66 118.07 3a18 s GLN 221 Ca 0.28 -0.19 -0.04 0.00 0.01 0.00 0.00 55.36 55.42 3a18 s GLN 221 Cb -0.06 -0.75 0.07 0.00 -1.01 0.00 0.00 33.01 31.25 3a18 s GLN 221 CO 0.15 0.03 0.07 0.34 0.01 0.00 0.00 175.29 175.90 3a18 s ASP 222 N 0.41 2.88 -0.06 5.90 -1.08 0.49 -0.75 116.67 124.45 3a18 s ASP 222 Ca -0.06 -0.87 0.09 0.00 -0.52 0.00 0.00 52.55 51.19 3a18 s ASP 222 Cb -0.10 -0.45 0.20 0.00 -1.46 0.00 0.00 42.92 41.11 3a18 s ASP 222 CO 0.00 -0.35 1.13 -2.67 0.52 0.00 0.00 175.17 173.81 3a18 n TRP 223 N 5.15 0.18 0.23 -5.34 2.14 -0.62 -0.84 117.44 118.34 3a18 n TRP 223 Ca -0.07 -0.69 0.13 0.00 2.07 0.00 0.00 57.50 58.93 3a18 n TRP 223 Cb 0.47 -0.11 0.76 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 0.53 1.89 -0.09 -1.67 0.00 -1.81 -2.76 119.26 115.35 3a18 h ALA 224 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a18 h ALA 224 Cb 0.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3a18 h ALA 224 CO 0.03 -0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3a18 n ASP 225 N -4.21 2.05 -4.77 0.00 8.00 -1.26 -5.01 116.55 111.35 3a18 n ASP 225 Ca -0.01 -1.56 -0.37 0.00 0.71 0.00 0.00 54.79 53.55 3a18 n ASP 225 Cb 0.18 -0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.83 3.02 0.94 2.24 0.00 -1.04 -4.96 121.76 121.13 3a18 s ALA 226 Ca 0.13 0.92 -0.13 0.00 0.00 0.00 0.00 51.96 52.87 3a18 s ALA 226 Cb 0.08 -3.37 0.16 0.00 0.00 0.00 0.00 23.12 19.99 3a18 s ALA 226 CO 0.12 -0.59 1.15 -1.21 0.00 0.00 0.00 175.76 175.24 3a18 s GLU 227 N -2.60 0.91 0.27 0.00 0.41 -1.26 -4.75 118.70 111.68 3a18 s GLU 227 Ca 0.62 0.18 0.01 0.00 -0.41 0.00 0.00 54.97 55.37 3a18 s GLU 227 Cb -0.28 -1.82 0.58 0.00 -1.78 0.00 0.00 34.13 30.83 3a18 s GLU 227 CO 0.35 -2.33 1.77 0.00 -0.49 0.00 0.00 175.26 174.55 3a18 h ALA 228 N -1.59 1.38 -0.20 5.21 0.00 -1.99 -0.45 119.26 121.60 3a18 h ALA 228 Ca -0.49 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 3a18 h ALA 228 Cb 1.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a18 h ALA 228 CO 0.57 -0.08 -0.67 0.38 0.00 0.00 0.00 179.25 179.45 3a18 h ASP 229 N 0.66 0.92 -0.13 0.00 2.03 -1.97 -2.39 116.42 115.54 3a18 h ASP 229 Ca 0.49 -0.55 -0.18 0.00 -0.73 0.00 0.00 57.03 56.06 3a18 h ASP 229 Cb 0.71 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.95 3a18 h ASP 229 CO -0.37 1.34 -0.58 -0.08 -1.03 0.00 0.00 179.24 178.52 3a18 h GLU 230 N 0.57 0.73 -0.31 4.15 4.81 -1.71 -2.08 114.58 120.75 3a18 h GLU 230 Ca -0.02 -0.48 0.06 0.00 -0.13 0.00 0.00 59.36 58.79 3a18 h GLU 230 Cb 1.29 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.68 3a18 h GLU 230 CO 0.14 1.10 -0.06 0.00 -0.73 0.00 0.00 179.01 179.47 3a18 h ARG 231 N 0.55 0.02 -0.65 1.92 3.08 -1.07 -0.77 114.38 117.46 3a18 h ARG 231 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3a18 h ARG 231 Cb 1.17 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 3a18 h ARG 231 CO 0.12 0.01 0.21 0.77 -1.07 0.00 0.00 179.97 180.01 3a18 h SER 232 N 0.02 0.92 -0.59 7.04 0.02 -1.36 0.20 113.55 119.79 3a18 h SER 232 Ca 0.15 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3a18 h SER 232 Cb 0.22 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3a18 h SER 232 CO -0.30 0.86 0.28 -0.07 -1.14 0.00 0.00 176.83 176.46 3a18 h LEU 233 N 0.96 0.77 -0.02 5.07 3.38 -1.03 0.45 115.31 124.90 3a18 h LEU 233 Ca 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3a18 h LEU 233 Cb 0.27 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3a18 h LEU 233 CO -0.01 0.69 -0.02 0.22 0.09 0.00 0.00 178.44 179.41 3a18 h TYR 234 N 0.81 0.05 0.00 1.13 3.20 -0.82 -1.87 116.97 119.47 3a18 h TYR 234 Ca 0.20 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 3a18 h TYR 234 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3a18 h TYR 234 CO -0.00 0.52 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.48 3a18 h LEU 235 N -0.44 0.00 0.00 2.82 3.38 -0.58 0.27 115.31 120.76 3a18 h LEU 235 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3a18 h LEU 235 Cb 0.51 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3a18 h LEU 235 CO 0.00 0.49 -2.24 0.47 0.09 0.00 0.00 178.44 177.26 3a18 n ASP 236 N -3.77 0.55 -0.04 -0.43 8.00 0.15 -4.40 116.55 116.61 3a18 n ASP 236 Ca -0.01 -0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.47 3a18 n ASP 236 Cb 0.54 0.94 -0.08 0.00 -0.02 0.00 0.00 41.12 42.51 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 -2.67 1.79 -0.11 -1.24 -0.58 -0.72 -4.64 120.64 112.46 3a18 n GLU 237 Ca -0.29 -0.03 -0.22 0.00 -0.42 0.00 0.00 57.16 56.20 3a18 n GLU 237 Cb 1.09 -1.25 -0.07 0.00 -0.57 0.00 0.00 31.44 30.64 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 -2.21 1.33 -0.17 -3.67 5.41 -0.89 -4.59 119.36 114.56 3a18 n ILE 238 Ca -0.12 -0.22 -0.01 0.00 1.00 0.00 0.00 62.75 63.40 3a18 n ILE 238 Cb 0.66 -1.91 0.08 0.00 -0.71 0.00 0.00 39.64 37.75 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 -0.85 -0.01 -0.62 1.39 5.85 -0.71 -1.66 115.31 118.70 3a18 h LEU 239 Ca -0.47 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.48 3a18 h LEU 239 Cb 1.38 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 42.44 3a18 h LEU 239 CO -0.28 0.02 0.02 -0.65 -0.34 0.00 0.00 178.44 177.21 3a18 h PRO 240 N 0.24 0.13 -0.44 5.25 0.11 -1.82 0.41 132.00 135.88 3a18 h PRO 240 Ca 0.27 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.27 3a18 h PRO 240 Cb 0.38 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3a18 h PRO 240 CO -0.36 0.09 -0.13 1.79 -0.21 0.00 0.00 178.00 179.18 3a18 h THR 241 N 0.14 1.27 -0.25 -1.15 1.35 -1.67 -1.03 112.91 111.57 3a18 h THR 241 Ca 0.33 -1.26 0.01 0.00 -0.55 0.00 0.00 66.41 64.94 3a18 h THR 241 Cb 0.53 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3a18 h THR 241 CO -0.52 0.43 0.13 0.25 -0.25 0.00 0.00 175.52 175.56 3a18 h LEU 242 N 0.70 0.21 -0.62 3.87 5.85 -0.82 -1.33 115.31 123.16 3a18 h LEU 242 Ca 0.11 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3a18 h LEU 242 Cb 0.68 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3a18 h LEU 242 CO 0.05 0.16 0.39 -0.61 -0.34 0.00 0.00 178.44 178.09 3a18 h GLN 243 N 0.28 0.75 -0.73 1.25 5.75 -0.04 -0.07 115.11 122.30 3a18 h GLN 243 Ca 0.10 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.60 3a18 h GLN 243 Cb 0.02 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.35 3a18 h GLN 243 CO -0.06 0.50 0.44 1.03 -2.65 0.00 0.00 178.83 178.09 3a18 h SER 244 N 0.78 0.71 -0.63 -0.69 0.87 -0.98 -0.19 113.55 113.42 3a18 h SER 244 Ca 0.25 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.73 3a18 h SER 244 Cb -0.01 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3a18 h SER 244 CO -0.09 0.47 0.04 1.23 -0.53 0.00 0.00 176.83 177.95 3a18 h GLY 245 N 0.84 1.17 0.96 5.77 0.00 -0.56 -1.84 103.07 109.40 3a18 h GLY 245 Ca 0.31 -0.83 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 3a18 h GLY 245 CO -0.14 0.77 -0.29 -0.33 0.00 0.00 0.00 176.54 176.55 3a18 h MET 246 N 0.99 0.68 -0.52 4.80 2.07 -0.71 -2.23 114.93 120.01 3a18 h MET 246 Ca 0.18 -0.36 0.05 0.00 -2.07 0.00 0.00 59.70 57.50 3a18 h MET 246 Cb 0.52 0.02 -0.05 0.00 -1.87 0.00 0.00 31.60 30.22 3a18 h MET 246 CO 0.02 0.97 0.26 -0.44 1.07 0.00 0.00 176.91 178.80 3a18 h ASP 247 N 0.41 0.37 0.21 1.22 3.32 -1.02 -0.13 116.42 120.79 3a18 h ASP 247 Ca 0.04 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.13 3a18 h ASP 247 Cb 0.86 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.34 3a18 h ASP 247 CO 0.07 0.25 -0.28 0.15 -1.72 0.00 0.00 179.24 177.71 3a18 h PHE 248 N 0.50 -0.76 -0.78 4.55 3.57 -1.14 -1.36 116.94 121.53 3a18 h PHE 248 Ca 0.23 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 3a18 h PHE 248 Cb 0.15 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3a18 h PHE 248 CO -0.11 -0.40 0.39 -0.07 -2.23 0.00 0.00 178.31 175.89 3a18 h LEU 249 N -0.55 1.00 -1.41 0.59 3.38 -1.24 0.27 115.31 117.35 3a18 h LEU 249 Ca 0.01 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3a18 h LEU 249 Cb 0.54 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3a18 h LEU 249 CO -0.11 0.83 0.30 -0.09 0.09 0.00 0.00 178.44 179.46 3a18 h ARG 250 N 1.10 0.69 -0.00 1.13 2.43 -0.76 -2.54 114.38 116.43 3a18 h ARG 250 Ca 0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3a18 h ARG 250 Cb 0.09 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3a18 h ARG 250 CO -0.04 0.50 -0.38 -0.25 -1.51 0.00 0.00 179.97 178.29 3a18 n ASP 251 N -4.42 0.75 -1.32 -3.80 8.00 -0.54 -4.51 116.55 110.71 3a18 n ASP 251 Ca 0.04 -0.87 0.03 0.00 0.71 0.00 0.00 54.79 54.71 3a18 n ASP 251 Cb 0.08 0.81 0.08 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.88 1.39 0.06 -2.24 3.02 0.92 -4.95 115.26 112.60 3a18 n ASN 252 Ca 0.03 -2.66 -0.14 0.00 -0.03 0.00 0.00 54.58 51.78 3a18 n ASN 252 Cb 0.18 -0.39 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 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 1.14 -0.80 1.47 7.41 0.00 -1.62 -2.87 103.07 107.79 3a18 h GLY 253 Ca -0.13 0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.77 3a18 h GLY 253 CO 0.10 -0.25 0.24 -2.55 0.00 0.00 0.00 176.54 174.08 3a18 h PRO 254 N -0.59 0.24 -0.22 4.80 0.11 -1.89 0.94 132.00 135.39 3a18 h PRO 254 Ca 0.04 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3a18 h PRO 254 Cb 0.66 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3a18 h PRO 254 CO -0.31 0.16 -0.04 0.00 -0.21 0.00 0.00 178.00 177.59 3a18 h ALA 255 N 1.81 1.52 -0.00 -0.75 0.00 -1.88 -3.25 119.26 116.71 3a18 h ALA 255 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a18 h ALA 255 Cb 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3a18 h ALA 255 CO -0.03 0.35 -0.37 1.33 0.00 0.00 0.00 179.25 180.53 3a18 n VAL 256 N -4.31 0.00 -0.71 0.00 0.24 -0.70 -5.01 118.33 107.85 3a18 n VAL 256 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 3a18 n VAL 256 Cb 0.23 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 1.37 3.20 7.63 0.00 0.12 -4.78 105.19 113.83 3a18 n GLY 257 Ca 0.03 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 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 8.22 0.84 -2.54 0.00 0.05 -1.03 -3.36 116.97 119.16 3a18 h TYR 259 Ca -0.19 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.43 3a18 h TYR 259 Cb 1.07 -0.25 -0.25 0.00 1.01 0.00 0.00 36.73 38.30 3a18 h TYR 259 CO 0.59 0.68 -0.23 0.45 -1.05 0.00 0.00 178.16 178.61 3a18 s SER 260 N -6.56 -0.58 -0.11 3.88 0.15 -1.11 -4.71 113.70 104.65 3a18 s SER 260 Ca -0.10 1.00 -0.00 0.00 0.70 0.00 0.00 55.95 57.55 3a18 s SER 260 Cb 0.16 0.89 0.03 0.00 -1.71 0.00 0.00 66.02 65.39 3a18 s SER 260 CO 0.79 -0.20 -0.07 0.21 1.20 0.00 0.00 173.24 175.18 3a18 s ASN 261 N 1.27 2.16 -0.07 5.45 2.47 -1.26 -1.06 114.94 123.91 3a18 s ASN 261 Ca -0.08 -0.30 0.06 0.00 0.42 0.00 0.00 52.86 52.96 3a18 s ASN 261 Cb -0.07 -0.82 -0.01 0.00 -1.45 0.00 0.00 41.25 38.90 3a18 s ASN 261 CO -0.12 -0.13 -0.24 -0.13 -3.72 0.00 0.00 177.10 172.76 3a18 s ARG 262 N 1.73 2.65 -0.35 0.43 0.52 -0.07 -4.64 118.95 119.21 3a18 s ARG 262 Ca 0.05 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 3a18 s ARG 262 Cb -0.13 -2.20 0.09 0.00 0.52 0.00 0.00 34.95 33.23 3a18 s ARG 262 CO -0.08 0.35 0.09 0.12 0.02 0.00 0.00 175.30 175.80 3a18 s PHE 263 N -0.09 3.56 0.23 -0.53 5.36 -1.26 -0.59 117.98 124.66 3a18 s PHE 263 Ca -0.06 -2.50 0.09 0.00 -0.96 0.00 0.00 56.93 53.51 3a18 s PHE 263 Cb -0.14 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.68 3a18 s PHE 263 CO 0.04 -0.93 -0.03 0.14 -1.46 0.00 0.00 175.22 172.98 3a18 s VAL 264 N 1.08 3.38 -0.10 3.12 -7.23 -0.21 -4.79 120.40 115.65 3a18 s VAL 264 Ca 0.05 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3a18 s VAL 264 Cb -0.21 -2.76 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3a18 s VAL 264 CO -0.05 -0.27 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.65 3a18 s ARG 265 N -3.35 2.80 0.52 4.82 6.06 -0.05 -1.56 118.95 128.19 3a18 s ARG 265 Ca 0.29 -0.79 -0.22 0.00 -2.50 0.00 0.00 55.73 52.51 3a18 s ARG 265 Cb -0.07 -2.15 -0.05 0.00 0.06 0.00 0.00 34.95 32.73 3a18 s ARG 265 CO 0.18 0.14 1.31 -0.80 -2.50 0.00 0.00 175.30 173.63 3a18 s ASN 266 N 0.44 5.50 0.13 -2.12 -0.87 -0.07 -0.70 114.94 117.25 3a18 s ASN 266 Ca -0.17 2.65 0.03 0.00 -1.57 0.00 0.00 52.86 53.80 3a18 s ASN 266 Cb -0.17 -2.63 -0.04 0.00 -0.02 0.00 0.00 41.25 38.39 3a18 s ASN 266 CO 0.07 -1.40 -0.07 0.27 -2.57 0.00 0.00 177.10 173.39 3a18 s ILE 267 N -1.36 0.90 0.63 0.60 -4.36 0.21 0.19 121.20 118.00 3a18 s ILE 267 Ca 0.69 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 3a18 s ILE 267 Cb -0.37 -1.81 0.14 0.00 1.25 0.00 0.00 42.46 41.66 3a18 s ILE 267 CO 0.44 -0.77 0.86 -0.90 0.24 0.00 0.00 174.94 174.81 3a18 n ASP 268 N -0.14 0.32 0.33 4.36 5.68 -0.11 -4.44 116.55 122.56 3a18 n ASP 268 Ca -0.11 -1.46 0.22 0.00 -0.50 0.00 0.00 54.79 52.94 3a18 n ASP 268 Cb 0.61 -0.63 1.18 0.00 -1.14 0.00 0.00 41.12 41.14 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 -1.25 0.02 -0.31 2.12 6.09 -1.98 -1.97 117.51 120.23 3a18 h ILE 269 Ca -0.28 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3a18 h ILE 269 Cb 0.83 1.03 0.00 0.00 0.47 0.00 0.00 36.82 39.15 3a18 h ILE 269 CO 0.22 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 175.77 3a18 n ASP 270 N -3.11 3.18 0.00 2.19 8.00 -1.26 -4.83 116.55 120.73 3a18 n ASP 270 Ca -0.03 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.55 3a18 n ASP 270 Cb 0.09 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 1.27 0.73 3.73 0.44 0.00 -0.74 -5.05 105.19 105.56 3a18 n GLY 271 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.32 7.22 0.35 1.61 0.01 -1.26 -4.80 114.94 115.75 3a18 s ASN 272 Ca 0.00 2.03 -0.28 0.00 -0.71 0.00 0.00 52.86 53.89 3a18 s ASN 272 Cb 0.00 -2.59 -0.11 0.00 0.41 0.00 0.00 41.25 38.96 3a18 s ASN 272 CO 0.00 -0.30 1.39 -0.36 -1.51 0.00 0.00 177.10 176.32 3a18 s PHE 273 N 0.28 2.84 0.29 2.20 0.08 -1.26 -0.93 117.98 121.47 3a18 s PHE 273 Ca 0.52 1.29 0.08 0.00 0.12 0.00 0.00 56.93 58.94 3a18 s PHE 273 Cb -0.29 -3.84 -0.03 0.00 -0.57 0.00 0.00 43.02 38.29 3a18 s PHE 273 CO 0.32 -2.40 0.19 -0.51 -0.10 0.00 0.00 175.22 172.73 3a18 s LEU 274 N -1.86 3.62 -0.74 -0.37 1.43 0.13 -4.85 118.68 116.04 3a18 s LEU 274 Ca 0.51 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3a18 s LEU 274 Cb -0.43 -2.17 0.04 0.00 0.03 0.00 0.00 46.19 43.66 3a18 s LEU 274 CO 0.57 -0.15 2.74 0.47 0.23 0.00 0.00 176.35 180.21 3a18 n ASP 275 N -1.20 6.96 -3.94 2.29 8.00 -1.26 -4.40 116.55 123.00 3a18 n ASP 275 Ca -0.05 -3.09 -0.12 0.00 0.71 0.00 0.00 54.79 52.24 3a18 n ASP 275 Cb 0.59 -1.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.25 3a18 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a18 s LEU 276 N -1.85 2.10 0.17 0.64 1.02 -1.26 -1.59 118.68 117.91 3a18 s LEU 276 Ca 0.59 -0.22 -0.02 0.00 0.02 0.00 0.00 54.13 54.49 3a18 s LEU 276 Cb 0.30 -0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.43 3a18 s LEU 276 CO -0.15 -0.09 0.14 -0.94 0.02 0.00 0.00 176.35 175.32 3a18 s SER 277 N -0.62 0.19 0.00 2.29 1.04 0.07 -0.90 113.70 115.77 3a18 s SER 277 Ca -0.05 -1.24 -0.28 0.00 0.48 0.00 0.00 55.95 54.85 3a18 s SER 277 Cb -0.04 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.53 3a18 s SER 277 CO -0.00 -0.82 0.74 -0.72 0.98 0.00 0.00 173.24 173.42 3a18 s TYR 278 N -4.09 -0.53 0.18 5.02 1.13 -0.60 -1.11 117.35 117.35 3a18 s TYR 278 Ca 0.30 0.67 -0.30 0.00 -1.41 0.00 0.00 57.07 56.33 3a18 s TYR 278 Cb 0.06 0.48 -0.08 0.00 -1.10 0.00 0.00 41.96 41.33 3a18 s TYR 278 CO 0.07 -0.63 0.95 1.21 -2.51 0.00 0.00 175.55 174.64 3a18 s ASN 279 N -1.84 7.58 -0.28 -0.18 3.04 -0.07 -1.04 114.94 122.15 3a18 s ASN 279 Ca -0.03 1.88 0.01 0.00 0.04 0.00 0.00 52.86 54.76 3a18 s ASN 279 Cb -0.01 -2.60 0.06 0.00 -1.54 0.00 0.00 41.25 37.16 3a18 s ASN 279 CO -0.01 0.06 -0.06 -0.63 -3.04 0.00 0.00 177.10 173.41 3a18 s ILE 280 N -0.65 2.46 -0.13 -5.21 1.01 0.24 -2.31 121.20 116.60 3a18 s ILE 280 Ca 0.44 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3a18 s ILE 280 Cb -0.25 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.79 3a18 s ILE 280 CO 0.31 -0.09 -0.11 -0.83 0.00 0.00 0.00 174.94 174.22 3a18 s GLY 281 N 1.15 0.99 -0.22 6.18 0.00 -0.26 -0.89 107.32 114.27 3a18 s GLY 281 Ca -0.07 -0.74 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 3a18 s GLY 281 CO -0.04 0.65 0.16 0.30 0.00 0.00 0.00 173.10 174.17 3a18 s HIS 282 N 1.57 3.36 0.05 1.90 3.76 -0.22 -0.45 115.29 125.26 3a18 s HIS 282 Ca 0.05 0.30 0.08 0.00 -0.15 0.00 0.00 55.06 55.34 3a18 s HIS 282 Cb -0.13 -2.23 -0.03 0.00 1.11 0.00 0.00 32.58 31.30 3a18 s HIS 282 CO -0.09 0.17 -0.24 -1.58 -0.85 0.00 0.00 174.74 172.14 3a18 s TRP 283 N 0.74 2.09 0.46 1.40 0.52 0.11 -0.45 118.94 123.81 3a18 s TRP 283 Ca 0.08 -0.39 0.21 0.00 0.02 0.00 0.00 56.10 56.02 3a18 s TRP 283 Cb -0.12 -1.25 1.30 0.00 -1.15 0.00 0.00 33.47 32.25 3a18 s TRP 283 CO 0.02 0.12 2.07 0.00 0.02 0.00 0.00 176.95 179.17 3a18 h ALA 284 N 4.79 1.54 -2.78 0.98 0.00 -1.02 -1.78 119.26 120.99 3a18 h ALA 284 Ca -0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3a18 h ALA 284 Cb 1.15 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.80 3a18 h ALA 284 CO 0.43 0.15 -0.06 -1.54 0.00 0.00 0.00 179.25 178.24 3a18 s SER 285 N -6.58 -0.24 0.19 0.00 1.04 -1.26 -4.50 113.70 102.34 3a18 s SER 285 Ca -0.04 -0.34 -0.10 0.00 0.48 0.00 0.00 55.95 55.96 3a18 s SER 285 Cb 0.15 0.49 0.10 0.00 0.10 0.00 0.00 66.02 66.85 3a18 s SER 285 CO 0.63 -0.88 1.70 0.25 0.98 0.00 0.00 173.24 175.92 3a18 h LEU 286 N 2.33 1.01 -1.03 2.42 5.85 -1.82 -3.08 115.31 120.99 3a18 h LEU 286 Ca -0.33 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 3a18 h LEU 286 Cb 1.26 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3a18 h LEU 286 CO 0.45 0.98 -0.08 -2.24 -0.34 0.00 0.00 178.44 177.22 3a18 h ASP 287 N 0.99 0.58 -0.85 1.25 2.03 -1.94 -0.72 116.42 117.76 3a18 h ASP 287 Ca 0.21 -0.15 -0.01 0.00 -0.73 0.00 0.00 57.03 56.35 3a18 h ASP 287 Cb 0.37 -0.16 -0.04 0.00 -0.83 0.00 0.00 39.33 38.67 3a18 h ASP 287 CO 0.00 0.71 0.48 1.56 -1.03 0.00 0.00 179.24 180.96 3a18 h GLN 288 N 0.56 1.18 -0.45 4.15 4.20 -1.89 0.12 115.11 122.99 3a18 h GLN 288 Ca 0.11 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3a18 h GLN 288 Cb 0.48 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3a18 h GLN 288 CO 0.03 0.86 0.08 1.25 -0.67 0.00 0.00 178.83 180.38 3a18 h LEU 289 N 1.19 0.71 -0.42 1.46 5.85 -1.34 -1.54 115.31 121.22 3a18 h LEU 289 Ca 0.30 -0.25 0.06 0.00 0.84 0.00 0.00 57.88 58.83 3a18 h LEU 289 Cb 0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3a18 h LEU 289 CO -0.05 0.78 0.12 -0.33 -0.34 0.00 0.00 178.44 178.63 3a18 h GLU 290 N 0.61 0.27 -0.36 1.25 5.08 -0.69 -1.73 114.58 119.01 3a18 h GLU 290 Ca 0.14 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3a18 h GLU 290 Cb 0.37 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3a18 h GLU 290 CO 0.01 0.18 0.21 0.00 -1.00 0.00 0.00 179.01 178.41 3a18 h ARG 291 N 0.27 0.42 -0.11 2.33 2.47 -0.53 -2.13 114.38 117.11 3a18 h ARG 291 Ca 0.20 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.89 3a18 h ARG 291 Cb 0.22 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3a18 h ARG 291 CO -0.23 0.28 0.06 2.35 0.56 0.00 0.00 179.97 182.98 3a18 h TRP 292 N 0.43 0.15 -0.36 3.04 7.01 -1.11 -2.49 115.95 122.62 3a18 h TRP 292 Ca 0.14 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 3a18 h TRP 292 Cb -0.00 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3a18 h TRP 292 CO -0.07 0.19 0.06 0.66 -2.79 0.00 0.00 178.44 176.48 3a18 h SER 293 N 0.07 0.50 0.51 2.65 4.64 -1.13 -1.12 113.55 119.67 3a18 h SER 293 Ca 0.04 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3a18 h SER 293 Cb 0.09 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3a18 h SER 293 CO -0.01 0.53 -0.87 -1.84 -0.87 0.00 0.00 176.83 173.78 3a18 n GLU 294 N -4.32 0.23 0.00 4.77 0.28 -0.82 -4.26 120.64 116.53 3a18 n GLU 294 Ca 0.02 0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 3a18 n GLU 294 Cb 0.21 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.48 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 3.05 -4.72 -1.84 3.41 -0.94 -4.95 113.62 105.73 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 0.42 0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.40 3.48 0.43 7.33 2.46 -0.44 -4.92 115.29 122.24 3a18 s HIS 296 Ca 0.00 1.39 0.19 0.00 0.47 0.00 0.00 55.06 57.11 3a18 s HIS 296 Cb 0.00 -3.37 1.13 0.00 -0.13 0.00 0.00 32.58 30.21 3a18 s HIS 296 CO 0.00 -1.04 1.86 -1.00 -2.47 0.00 0.00 174.74 172.09 3a18 h PRO 297 N 6.57 0.35 0.72 2.88 0.13 -1.97 -1.67 132.00 139.01 3a18 h PRO 297 Ca -0.42 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3a18 h PRO 297 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3a18 h PRO 297 CO 0.79 0.23 -0.37 1.79 -0.23 0.00 0.00 178.00 180.22 3a18 h THR 298 N 0.36 0.25 -0.38 1.56 1.35 -1.93 1.13 112.91 115.25 3a18 h THR 298 Ca 0.46 0.00 -0.10 0.00 -0.55 0.00 0.00 66.41 66.22 3a18 h THR 298 Cb 1.21 0.25 -0.02 0.00 -1.73 0.00 0.00 68.15 67.87 3a18 h THR 298 CO -0.16 0.00 -0.18 -0.74 -0.25 0.00 0.00 175.52 174.19 3a18 h HIS 299 N -0.99 0.82 -0.63 4.73 -0.00 -1.74 0.39 115.15 117.71 3a18 h HIS 299 Ca -0.10 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.07 3a18 h HIS 299 Cb 0.77 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 3a18 h HIS 299 CO -0.04 0.86 0.26 -0.07 -0.00 0.00 0.00 177.93 178.94 3a18 h LEU 300 N 0.65 0.86 0.45 0.26 3.38 -1.29 0.94 115.31 120.56 3a18 h LEU 300 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3a18 h LEU 300 Cb 0.67 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3a18 h LEU 300 CO 0.05 0.79 -0.30 -0.09 0.09 0.00 0.00 178.44 178.98 3a18 h ARG 301 N 0.88 -0.70 -0.56 1.13 2.43 0.18 1.08 114.38 118.82 3a18 h ARG 301 Ca 0.21 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.54 3a18 h ARG 301 Cb 0.19 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 29.79 3a18 h ARG 301 CO -0.02 -0.47 -0.23 0.82 -1.51 0.00 0.00 179.97 178.57 3a18 h ILE 302 N -0.72 0.30 -0.89 1.20 2.04 -0.06 0.87 117.51 120.25 3a18 h ILE 302 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3a18 h ILE 302 Cb 0.60 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3a18 h ILE 302 CO 0.04 0.00 0.50 0.15 0.00 0.00 0.00 178.15 178.84 3a18 h PHE 303 N -0.09 1.20 0.19 1.37 3.57 0.16 0.13 116.94 123.46 3a18 h PHE 303 Ca 0.26 -0.02 -0.31 0.00 3.53 0.00 0.00 57.97 61.43 3a18 h PHE 303 Cb 0.49 -0.39 0.02 0.00 2.79 0.00 0.00 35.95 38.87 3a18 h PHE 303 CO -0.54 0.82 -1.38 1.79 -2.23 0.00 0.00 178.31 176.77 3a18 h THR 304 N 1.23 1.37 0.00 4.41 1.35 0.19 -3.08 112.91 118.38 3a18 h THR 304 Ca 0.31 -2.88 -0.06 0.00 -0.55 0.00 0.00 66.41 63.24 3a18 h THR 304 Cb 0.00 2.98 -0.01 0.00 -1.73 0.00 0.00 68.15 69.39 3a18 h THR 304 CO -0.05 0.85 -0.28 0.74 -0.25 0.00 0.00 175.52 176.53 3a18 h THR 305 N 0.11 0.88 0.01 6.82 2.02 0.87 -0.84 112.91 122.79 3a18 h THR 305 Ca -0.20 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 65.88 3a18 h THR 305 Cb 2.07 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.13 3a18 h THR 305 CO 0.23 0.28 -0.01 0.15 0.37 0.00 0.00 175.52 176.55 3a18 h PHE 306 N 0.00 -0.01 0.00 3.16 3.57 -0.75 -2.68 116.94 120.22 3a18 h PHE 306 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3a18 h PHE 306 Cb 0.63 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3a18 h PHE 306 CO 0.00 0.23 0.00 0.74 -2.23 0.00 0.00 178.31 177.05 3a18 h PHE 307 N -0.26 0.00 -0.15 0.41 0.04 -1.41 0.25 116.94 115.82 3a18 h PHE 307 Ca -0.00 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.64 3a18 h PHE 307 Cb 0.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3a18 h PHE 307 CO 0.01 0.00 -0.42 -0.09 -0.60 0.00 0.00 178.31 177.21 3a18 h ARG 308 N 0.00 0.55 0.00 1.51 2.43 -1.04 -3.32 114.38 114.51 3a18 h ARG 308 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3a18 h ARG 308 Cb 0.68 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 3a18 h ARG 308 CO 0.00 1.01 -1.07 1.33 -1.51 0.00 0.00 179.97 179.73 3a18 n VAL 309 N -4.27 0.01 -0.26 0.20 0.24 -1.02 -4.63 118.33 108.61 3a18 n VAL 309 Ca -0.07 -0.07 0.25 0.00 -2.04 0.00 0.00 64.34 62.41 3a18 n VAL 309 Cb 0.55 0.78 0.44 0.00 -1.47 0.00 0.00 33.84 34.15 3a18 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a18 n ALA 310 N -1.60 0.80 -0.27 2.33 0.00 0.07 -0.91 120.51 120.93 3a18 n ALA 310 Ca 0.03 0.72 0.18 0.00 0.00 0.00 0.00 53.44 54.38 3a18 n ALA 310 Cb 0.36 -0.75 0.48 0.00 0.00 0.00 0.00 19.45 19.54 3a18 n ALA 310 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a18 h ALA 311 N 1.40 2.12 -0.25 0.00 0.00 -1.84 -1.04 119.26 119.65 3a18 h ALA 311 Ca 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3a18 h ALA 311 Cb 1.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3a18 h ALA 311 CO -0.52 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 178.72 3a18 n GLY 312 N -1.48 2.16 3.73 0.00 0.00 -0.09 -4.91 105.19 104.60 3a18 n GLY 312 Ca 0.20 -0.40 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.20 3.48 0.00 0.99 1.43 -0.40 -4.55 118.68 118.42 3a18 s LEU 313 Ca 0.24 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 3a18 s LEU 313 Cb 0.18 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3a18 s LEU 313 CO 0.07 -0.03 0.00 -1.54 0.23 0.00 0.00 176.35 175.07 3a18 n SER 314 N -1.04 0.00 0.00 2.29 3.41 -1.26 -5.02 113.62 112.00 3a18 n SER 314 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3a18 n SER 314 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.00 3.23 -1.78 4.33 4.76 -1.26 -5.03 118.16 122.42 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 -0.60 -0.03 0.00 -1.84 0.00 0.00 35.03 32.56 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 -1.69 4.37 -0.25 -0.35 2.96 -1.26 -4.60 118.68 117.86 3a18 s LEU 316 Ca 0.00 2.80 -0.05 0.00 -0.22 0.00 0.00 54.13 56.66 3a18 s LEU 316 Cb 0.00 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 3a18 s LEU 316 CO 0.00 -0.94 -0.00 -0.13 -1.32 0.00 0.00 176.35 173.95 3a18 s ARG 317 N 1.34 3.24 0.03 1.98 0.52 -0.02 -4.98 118.95 121.06 3a18 s ARG 317 Ca 0.74 -0.73 0.08 0.00 -0.52 0.00 0.00 55.73 55.31 3a18 s ARG 317 Cb -0.48 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 3a18 s ARG 317 CO 0.32 -0.29 -0.24 -0.51 0.02 0.00 0.00 175.30 174.60 3a18 s LEU 318 N 1.47 2.14 0.15 2.53 1.43 -1.26 -0.38 118.68 124.76 3a18 s LEU 318 Ca 0.04 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 3a18 s LEU 318 Cb -0.15 -1.15 0.06 0.00 0.03 0.00 0.00 46.19 44.98 3a18 s LEU 318 CO -0.01 0.23 0.82 -0.72 0.23 0.00 0.00 176.35 176.90 3a18 s TYR 319 N -0.75 -0.27 0.11 0.29 1.13 -1.06 -1.75 117.35 115.06 3a18 s TYR 319 Ca 0.10 -0.02 -0.11 0.00 -1.41 0.00 0.00 57.07 55.62 3a18 s TYR 319 Cb -0.09 0.62 0.01 0.00 -1.10 0.00 0.00 41.96 41.40 3a18 s TYR 319 CO 0.01 -0.87 0.28 -3.38 -2.51 0.00 0.00 175.55 169.08 3a18 s HIS 320 N -3.49 0.06 -0.04 -3.49 -3.43 -0.21 -0.71 115.29 103.98 3a18 s HIS 320 Ca 0.08 -0.45 0.05 0.00 -0.80 0.00 0.00 55.06 53.94 3a18 s HIS 320 Cb -0.02 0.06 -0.01 0.00 -1.43 0.00 0.00 32.58 31.18 3a18 s HIS 320 CO -0.02 -0.63 -0.18 -1.83 -2.00 0.00 0.00 174.74 170.08 3a18 s GLU 321 N -3.86 1.81 -0.04 -0.38 -1.05 -0.08 -1.01 118.70 114.08 3a18 s GLU 321 Ca 0.06 -0.64 0.03 0.00 -0.15 0.00 0.00 54.97 54.27 3a18 s GLU 321 Cb 0.04 -1.59 0.00 0.00 -0.44 0.00 0.00 34.13 32.14 3a18 s GLU 321 CO -0.10 0.28 -0.12 0.08 0.95 0.00 0.00 175.26 176.35 3a18 s VAL 322 N -0.05 1.06 0.06 1.83 1.01 -0.06 -0.96 120.40 123.29 3a18 s VAL 322 Ca -0.02 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3a18 s VAL 322 Cb -0.11 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 3a18 s VAL 322 CO 0.02 0.32 -0.14 -0.44 0.00 0.00 0.00 175.10 174.86 3a18 s SER 323 N 0.27 1.67 0.19 3.32 0.01 -0.55 -0.41 113.70 118.21 3a18 s SER 323 Ca -0.06 -0.57 0.10 0.00 1.31 0.00 0.00 55.95 56.73 3a18 s SER 323 Cb -0.11 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 3a18 s SER 323 CO 0.02 -0.05 -0.21 0.68 0.41 0.00 0.00 173.24 174.09 3a18 s VAL 324 N -1.15 2.13 -0.01 3.43 -7.23 0.10 -1.02 120.40 116.66 3a18 s VAL 324 Ca -0.01 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 3a18 s VAL 324 Cb -0.09 -2.02 -0.00 0.00 0.56 0.00 0.00 36.38 34.83 3a18 s VAL 324 CO 0.02 -0.23 0.08 -0.36 -0.31 0.00 0.00 175.10 174.30 3a18 s PHE 325 N -1.90 0.05 0.71 2.82 0.08 -1.17 -4.59 117.98 113.98 3a18 s PHE 325 Ca 0.19 -0.11 -0.16 0.00 0.12 0.00 0.00 56.93 56.97 3a18 s PHE 325 Cb -0.07 -0.06 0.02 0.00 -0.57 0.00 0.00 43.02 42.35 3a18 s PHE 325 CO 0.09 -0.18 1.26 -0.51 -0.10 0.00 0.00 175.22 175.77 3a18 s ASP 326 N -0.93 4.25 0.24 1.36 1.01 -1.26 -0.10 116.67 121.24 3a18 s ASP 326 Ca -0.10 2.51 -0.04 0.00 0.71 0.00 0.00 52.55 55.63 3a18 s ASP 326 Cb -0.06 -2.61 0.45 0.00 1.01 0.00 0.00 42.92 41.71 3a18 s ASP 326 CO 0.00 -2.24 1.73 0.00 0.21 0.00 0.00 175.17 174.88 3a18 h ALA 327 N 0.01 1.04 0.00 5.23 0.00 -1.82 -1.29 119.26 122.43 3a18 h ALA 327 Ca -0.49 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3a18 h ALA 327 Cb 1.32 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3a18 h ALA 327 CO 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3a18 h ALA 328 N 1.54 1.00 -0.58 0.00 0.00 -1.92 -2.87 119.26 116.43 3a18 h ALA 328 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3a18 h ALA 328 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3a18 h ALA 328 CO -0.40 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.60 3a18 n ASP 329 N -2.30 4.53 -3.98 0.00 8.00 -0.49 -4.87 116.55 117.44 3a18 n ASP 329 Ca 0.01 -2.47 -0.21 0.00 0.71 0.00 0.00 54.79 52.82 3a18 n ASP 329 Cb 0.16 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.53 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 -1.95 1.08 -0.05 -1.24 -0.21 -1.08 -0.66 119.66 115.55 3a18 s GLN 330 Ca 0.47 -0.28 -0.00 0.00 0.02 0.00 0.00 55.36 55.57 3a18 s GLN 330 Cb 0.31 -0.99 0.03 0.00 1.00 0.00 0.00 33.01 33.36 3a18 s GLN 330 CO 0.21 0.05 -0.01 -1.17 -2.12 0.00 0.00 175.29 172.25 3a18 s LEU 331 N 0.44 0.91 -0.27 2.90 0.20 0.17 -4.25 118.68 118.78 3a18 s LEU 331 Ca -0.07 -0.08 0.02 0.00 0.69 0.00 0.00 54.13 54.68 3a18 s LEU 331 Cb -0.11 -0.40 0.07 0.00 -0.43 0.00 0.00 46.19 45.32 3a18 s LEU 331 CO 0.01 -0.14 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.59 3a18 s TYR 332 N 1.48 2.93 -0.05 5.38 2.02 -0.71 -0.84 117.35 127.55 3a18 s TYR 332 Ca -0.03 -2.22 0.06 0.00 -0.37 0.00 0.00 57.07 54.51 3a18 s TYR 332 Cb -0.13 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3a18 s TYR 332 CO -0.03 -0.86 -0.23 -1.21 -1.57 0.00 0.00 175.55 171.65 3a18 s GLU 333 N 1.21 2.38 -0.02 -0.62 2.02 0.52 -0.14 118.70 124.04 3a18 s GLU 333 Ca -0.02 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.16 3a18 s GLU 333 Cb -0.19 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3a18 s GLU 333 CO -0.08 0.35 -0.09 0.71 0.02 0.00 0.00 175.26 176.17 3a18 s TYR 334 N -0.12 0.94 -0.14 1.61 1.51 -0.25 -0.57 117.35 120.34 3a18 s TYR 334 Ca -0.04 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.81 3a18 s TYR 334 Cb -0.13 -0.66 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 3a18 s TYR 334 CO 0.03 -0.08 -0.13 0.42 -1.11 0.00 0.00 175.55 174.69 3a18 s ILE 335 N 0.09 1.43 -1.53 2.71 1.01 0.86 -0.83 121.20 124.94 3a18 s ILE 335 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 3a18 s ILE 335 Cb -0.07 -1.36 0.08 0.00 0.01 0.00 0.00 42.46 41.11 3a18 s ILE 335 CO 0.00 0.43 0.74 0.59 0.00 0.00 0.00 174.94 176.71 3a18 n ASN 336 N 4.77 -2.74 -4.92 3.58 3.02 -0.51 -0.64 115.26 117.82 3a18 n ASN 336 Ca -0.16 -0.91 -0.29 0.00 -0.03 0.00 0.00 54.58 53.19 3a18 n ASN 336 Cb 0.50 -3.34 -0.04 0.00 -0.61 0.00 0.00 39.78 36.29 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 -1.60 2.42 -1.09 0.00 -3.43 -1.26 -4.84 115.29 105.49 3a18 s HIS 338 Ca 0.34 1.50 0.00 0.00 -0.80 0.00 0.00 55.06 56.10 3a18 s HIS 338 Cb -0.12 -3.52 0.00 0.00 -1.43 0.00 0.00 32.58 27.51 3a18 s HIS 338 CO 0.28 -2.26 0.92 -2.30 -2.00 0.00 0.00 174.74 169.39 3a18 n PRO 339 N -1.39 0.00 -0.18 -0.38 -0.02 -1.26 -1.42 135.00 130.35 3a18 n PRO 339 Ca 0.13 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 3a18 n PRO 339 Cb 0.49 -1.51 0.23 0.00 -0.02 0.00 0.00 33.50 32.68 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 -1.42 1.64 3.68 -1.23 0.00 -1.26 -3.09 105.19 103.51 3a18 n GLY 340 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3a18 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a18 s THR 341 N -1.52 3.99 0.00 2.61 2.01 -0.50 -4.48 115.64 117.75 3a18 s THR 341 Ca 0.38 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.71 3a18 s THR 341 Cb 0.23 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3a18 s THR 341 CO 0.31 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 3a18 n GLY 342 N 3.55 3.12 0.05 4.40 0.00 -1.26 -1.13 105.19 113.91 3a18 n GLY 342 Ca 0.13 0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.36 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 1.06 0.15 1.61 2.81 -1.26 -3.35 117.12 132.15 3a18 n MET 343 Ca 0.00 -0.09 0.02 0.00 -1.81 0.00 0.00 57.70 55.82 3a18 n MET 343 Cb 0.00 -1.49 0.36 0.00 -0.71 0.00 0.00 33.22 31.38 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 0.22 0.12 -0.31 4.03 3.38 -1.39 -2.98 115.31 118.38 3a18 h LEU 344 Ca 0.00 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 3a18 h LEU 344 Cb 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3a18 h LEU 344 CO 0.00 0.40 -0.08 -0.09 0.09 0.00 0.00 178.44 178.76 3a18 h ARG 345 N 0.11 0.60 -0.00 1.13 2.43 -1.54 -3.31 114.38 113.80 3a18 h ARG 345 Ca 0.02 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 3a18 h ARG 345 Cb 0.56 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3a18 h ARG 345 CO 0.04 0.79 -0.67 -0.25 -1.51 0.00 0.00 179.97 178.37 3a18 n ASP 346 N -4.46 0.76 -4.76 -3.80 8.00 -1.25 -5.00 116.55 106.04 3a18 n ASP 346 Ca -0.03 -0.88 -0.40 0.00 0.71 0.00 0.00 54.79 54.19 3a18 n ASP 346 Cb 0.33 0.96 0.01 0.00 -0.02 0.00 0.00 41.12 42.40 3a18 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a18 n ALA 347 N -1.26 2.04 -2.64 2.24 0.00 -1.12 -4.89 120.51 114.87 3a18 n ALA 347 Ca 0.03 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 3a18 n ALA 347 Cb 0.24 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 17.25 3a18 n ALA 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a18 s VAL 348 N -1.17 4.94 0.98 0.00 -7.23 0.77 -4.82 120.40 113.87 3a18 s VAL 348 Ca 0.59 1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 61.97 3a18 s VAL 348 Cb -0.46 -4.01 0.18 0.00 0.56 0.00 0.00 36.38 32.64 3a18 s VAL 348 CO 0.59 0.02 1.08 0.42 -0.31 0.00 0.00 175.10 176.90 3a18 s THR 349 N 2.43 2.36 -0.31 5.32 -4.23 -1.26 -1.39 115.64 118.56 3a18 s THR 349 Ca 0.30 0.12 0.05 0.00 -1.18 0.00 0.00 61.69 60.98 3a18 s THR 349 Cb -0.16 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.33 3a18 s THR 349 CO 0.09 -0.15 0.99 0.00 -0.54 0.00 0.00 174.62 175.01 3a18 n ILE 350 N -4.24 0.90 0.15 2.99 0.13 -1.26 -0.45 119.36 117.57 3a18 n ILE 350 Ca 0.07 0.60 0.02 0.00 -1.10 0.00 0.00 62.75 62.34 3a18 n ILE 350 Cb 0.54 -1.60 -0.01 0.00 -0.84 0.00 0.00 39.64 37.73 3a18 n ILE 350 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3a18 n ALA 351 N -1.40 2.43 -2.02 1.51 0.00 -1.26 -4.88 120.51 114.89 3a18 n ALA 351 Ca -0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 53.44 52.86 3a18 n ALA 351 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.72 3.99 0.00 0.00 1.02 0.40 -5.22 120.64 120.11 3a18 n GLU 352 Ca 0.01 -3.51 0.00 0.00 -0.02 0.00 0.00 57.16 53.64 3a18 n GLU 352 Cb 0.06 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 3a18 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92