#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a15 s GLU 2 N 0.00 3.44 0.10 0.03 2.02 -1.23 -4.82 118.70 118.25 3a15 s GLU 2 Ca 0.00 1.83 -0.09 0.00 0.02 0.00 0.00 54.97 56.72 3a15 s GLU 2 Cb 0.00 -2.22 -0.06 0.00 0.10 0.00 0.00 34.13 31.95 3a15 s GLU 2 CO 0.00 -0.83 0.42 0.45 0.02 0.00 0.00 175.26 175.32 3a15 s SER 3 N -1.41 6.63 0.57 -0.19 0.15 -1.26 -1.28 113.70 116.90 3a15 s SER 3 Ca 0.69 0.79 0.26 0.00 0.70 0.00 0.00 55.95 58.39 3a15 s SER 3 Cb -0.30 -2.18 1.63 0.00 -1.71 0.00 0.00 66.02 63.47 3a15 s SER 3 CO 0.35 0.14 2.18 0.00 1.20 0.00 0.00 173.24 177.11 3a15 h ALA 4 N 3.51 1.75 -2.47 5.45 0.00 -1.93 -3.42 119.26 122.14 3a15 h ALA 4 Ca -0.48 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 3a15 h ALA 4 Cb 1.19 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3a15 h ALA 4 CO 0.67 -0.10 0.27 0.42 0.00 0.00 0.00 179.25 180.52 3a15 s ILE 5 N -4.76 4.94 0.41 0.00 1.01 -1.26 -4.99 121.20 116.55 3a15 s ILE 5 Ca -0.05 1.45 -0.25 0.00 0.00 0.00 0.00 60.65 61.80 3a15 s ILE 5 Cb 0.16 -4.06 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 3a15 s ILE 5 CO 0.59 0.07 1.17 0.61 0.00 0.00 0.00 174.94 177.38 3a15 n GLY 6 N 3.57 0.25 0.28 6.18 0.00 -1.26 -4.77 105.19 109.43 3a15 n GLY 6 Ca 0.02 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3a15 n GLY 6 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a15 h GLU 7 N 1.93 0.28 0.00 1.61 4.81 -1.93 0.63 114.58 121.92 3a15 h GLU 7 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3a15 h GLU 7 Cb 1.31 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3a15 h GLU 7 CO 0.59 0.18 0.00 1.12 -0.73 0.00 0.00 179.01 180.17 3a15 h HIS 8 N 0.28 0.00 -0.01 0.92 2.07 -1.94 -2.65 115.15 113.82 3a15 h HIS 8 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3a15 h HIS 8 Cb 0.75 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.73 3a15 h HIS 8 CO -0.25 0.00 -0.52 1.28 -3.07 0.00 0.00 177.93 175.37 3a15 n LEU 9 N -2.35 1.94 -4.75 6.12 4.77 0.17 -4.94 117.00 117.98 3a15 n LEU 9 Ca 0.02 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.86 3a15 n LEU 9 Cb 0.24 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3a15 n LEU 9 CO 0.21 0.37 0.88 -1.10 -1.33 0.00 0.00 177.39 176.42 3a15 s GLN 10 N -2.52 4.50 0.23 3.23 -0.21 -0.95 -4.93 119.66 119.01 3a15 s GLN 10 Ca 0.18 1.92 -0.07 0.00 0.02 0.00 0.00 55.36 57.40 3a15 s GLN 10 Cb 0.18 -3.20 -0.02 0.00 1.00 0.00 0.00 33.01 30.97 3a15 s GLN 10 CO 0.60 -0.04 0.31 0.00 -2.12 0.00 0.00 175.29 174.05 3a15 n PRO 12 N -0.34 2.55 -3.10 0.00 -0.02 -1.26 -4.94 135.00 127.90 3a15 n PRO 12 Ca 0.00 0.93 -0.39 0.00 -2.02 0.00 0.00 63.50 62.02 3a15 n PRO 12 Cb 0.64 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 3a15 n PRO 12 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3a15 s ARG 13 N 2.16 4.42 -0.01 -0.52 0.52 -1.26 -4.86 118.95 119.39 3a15 s ARG 13 Ca 0.81 0.97 0.12 0.00 -0.52 0.00 0.00 55.73 57.12 3a15 s ARG 13 Cb -0.56 -3.27 -0.17 0.00 0.52 0.00 0.00 34.95 31.46 3a15 s ARG 13 CO 0.38 0.54 0.32 0.25 0.02 0.00 0.00 175.30 176.81 3a15 n THR 14 N 1.89 0.00 -5.19 0.02 -2.24 -0.25 -4.98 114.28 103.53 3a15 n THR 14 Ca -0.07 -0.26 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 3a15 n THR 14 Cb 0.50 0.42 -0.15 0.00 -2.10 0.00 0.00 70.33 69.00 3a15 n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3a15 s LEU 15 N -3.51 2.23 0.36 3.22 1.43 -0.42 -4.98 118.68 117.02 3a15 s LEU 15 Ca -0.02 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 3a15 s LEU 15 Cb 0.08 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 3a15 s LEU 15 CO 0.50 0.32 0.40 0.42 0.23 0.00 0.00 176.35 178.21 3a15 s THR 16 N -0.57 3.44 0.96 5.49 -4.23 -1.26 -4.69 115.64 114.78 3a15 s THR 16 Ca 0.08 -1.20 -0.14 0.00 -1.18 0.00 0.00 61.69 59.26 3a15 s THR 16 Cb -0.11 -3.19 0.17 0.00 1.34 0.00 0.00 72.50 70.72 3a15 s THR 16 CO 0.00 -0.11 1.17 -0.13 -0.54 0.00 0.00 174.62 175.01 3a15 s ARG 17 N -4.13 0.71 0.00 3.99 0.52 -1.26 -5.00 118.95 113.79 3a15 s ARG 17 Ca 0.46 0.11 0.25 0.00 -0.52 0.00 0.00 55.73 56.03 3a15 s ARG 17 Cb -0.07 -1.81 0.35 0.00 0.52 0.00 0.00 34.95 33.95 3a15 s ARG 17 CO 0.29 -2.45 1.33 2.89 0.02 0.00 0.00 175.30 177.38 3a15 n ARG 18 N -3.91 1.66 -4.36 3.54 1.85 -1.26 -4.90 116.66 109.28 3a15 n ARG 18 Ca 0.09 -1.27 -0.28 0.00 -1.00 0.00 0.00 57.85 55.39 3a15 n ARG 18 Cb 0.59 -1.47 -0.13 0.00 -1.05 0.00 0.00 32.46 30.40 3a15 n ARG 18 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 3a15 s VAL 19 N -2.22 2.11 0.94 8.89 -7.23 -1.26 -5.15 120.40 116.48 3a15 s VAL 19 Ca 0.26 -1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 58.61 3a15 s VAL 19 Cb 0.19 -1.88 0.16 0.00 0.56 0.00 0.00 36.38 35.41 3a15 s VAL 19 CO 0.42 0.05 1.10 -2.16 -0.31 0.00 0.00 175.10 174.19 3a15 s PRO 20 N -2.02 0.88 0.22 4.82 0.04 -1.26 -4.91 135.00 132.76 3a15 s PRO 20 Ca 0.12 0.63 0.19 0.00 0.04 0.00 0.00 61.00 61.98 3a15 s PRO 20 Cb -0.10 -1.78 0.90 0.00 0.04 0.00 0.00 34.50 33.56 3a15 s PRO 20 CO 0.06 -2.45 1.59 -0.25 0.04 0.00 0.00 177.00 175.99 3a15 n ASP 21 N -4.00 0.48 -0.08 6.66 8.00 -1.26 -1.98 116.55 124.38 3a15 n ASP 21 Ca 0.06 0.66 0.14 0.00 0.71 0.00 0.00 54.79 56.36 3a15 n ASP 21 Cb 0.57 -0.75 0.56 0.00 -0.02 0.00 0.00 41.12 41.47 3a15 n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a15 n THR 22 N -2.08 0.00 -1.60 -3.53 -2.24 -1.26 -4.93 114.28 98.64 3a15 n THR 22 Ca 0.01 -0.04 -0.46 0.00 -2.27 0.00 0.00 64.05 61.29 3a15 n THR 22 Cb 0.14 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 3a15 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a15 n TYR 23 N -1.13 1.45 -4.13 4.78 9.36 -0.84 -5.00 117.16 121.65 3a15 n TYR 23 Ca 0.12 0.65 -0.27 0.00 3.32 0.00 0.00 57.90 61.72 3a15 n TYR 23 Cb 0.30 -2.30 -0.17 0.00 -0.63 0.00 0.00 39.34 36.54 3a15 n TYR 23 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3a15 s THR 24 N -0.56 1.18 0.64 2.97 2.01 -1.26 -5.02 115.64 115.59 3a15 s THR 24 Ca 0.66 -0.42 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 3a15 s THR 24 Cb -0.75 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 3a15 s THR 24 CO 0.55 0.38 1.11 -2.16 -0.69 0.00 0.00 174.62 173.82 3a15 s PRO 25 N 1.36 2.89 0.00 4.92 0.04 -1.26 -4.95 135.00 138.00 3a15 s PRO 25 Ca -0.01 1.40 0.28 0.00 0.04 0.00 0.00 61.00 62.71 3a15 s PRO 25 Cb -0.14 -1.96 1.04 0.00 0.04 0.00 0.00 34.50 33.49 3a15 s PRO 25 CO -0.05 -1.18 1.78 -0.35 0.04 0.00 0.00 177.00 177.24 3a15 n PRO 26 N -2.28 0.10 -3.71 0.56 -0.04 -1.26 -4.86 135.00 123.50 3a15 n PRO 26 Ca 0.10 -0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 3a15 n PRO 26 Cb 0.52 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 3a15 n PRO 26 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3a15 s PHE 27 N -2.92 -0.19 0.28 0.54 -0.71 -1.26 -5.16 117.98 108.56 3a15 s PHE 27 Ca 0.16 0.11 -0.29 0.00 -1.04 0.00 0.00 56.93 55.87 3a15 s PHE 27 Cb 0.19 0.16 -0.09 0.00 -1.21 0.00 0.00 43.02 42.07 3a15 s PHE 27 CO 0.57 -0.54 0.98 -1.25 -1.34 0.00 0.00 175.22 173.64 3a15 s PRO 28 N -2.50 4.70 0.10 1.99 0.04 -1.26 -5.01 135.00 133.06 3a15 s PRO 28 Ca -0.05 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.48 3a15 s PRO 28 Cb -0.01 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 3a15 s PRO 28 CO -0.03 0.35 0.07 -1.64 0.04 0.00 0.00 177.00 175.80 3a15 s MET 29 N -1.54 0.85 0.18 4.56 -1.94 -1.26 -4.92 119.30 115.23 3a15 s MET 29 Ca 0.45 -1.28 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 3a15 s MET 29 Cb -0.25 0.26 -0.05 0.00 2.01 0.00 0.00 34.83 36.80 3a15 s MET 29 CO 0.32 -0.23 -0.02 -1.58 -0.01 0.00 0.00 175.02 173.49 3a15 s TRP 30 N -3.98 1.30 0.13 -0.03 0.51 -0.29 -1.91 118.94 114.67 3a15 s TRP 30 Ca 0.16 -0.94 0.02 0.00 -2.12 0.00 0.00 56.10 53.21 3a15 s TRP 30 Cb 0.07 -0.73 -0.04 0.00 -0.81 0.00 0.00 33.47 31.95 3a15 s TRP 30 CO -0.04 -0.11 -0.05 0.14 -0.51 0.00 0.00 176.95 176.39 3a15 s VAL 31 N -3.53 0.72 0.36 4.03 -7.23 -1.26 -0.36 120.40 113.13 3a15 s VAL 31 Ca 0.23 -1.96 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 3a15 s VAL 31 Cb 0.05 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 35.06 3a15 s VAL 31 CO 0.04 -0.73 1.18 -0.83 -0.31 0.00 0.00 175.10 174.45 3a15 s GLY 32 N -3.09 2.93 -0.02 2.32 0.00 -1.26 -0.79 107.32 107.41 3a15 s GLY 32 Ca 0.16 1.00 0.05 0.00 0.00 0.00 0.00 44.72 45.94 3a15 s GLY 32 CO -0.02 1.56 -0.18 0.50 0.00 0.00 0.00 173.10 174.97 3a15 s ARG 33 N -2.04 2.32 -0.08 2.90 1.81 0.17 -4.82 118.95 119.22 3a15 s ARG 33 Ca 0.53 -0.81 -0.18 0.00 -1.72 0.00 0.00 55.73 53.55 3a15 s ARG 33 Cb -0.32 -2.26 0.04 0.00 -0.45 0.00 0.00 34.95 31.95 3a15 s ARG 33 CO 0.41 0.59 0.44 0.00 -0.68 0.00 0.00 175.30 176.06 3a15 s ALA 34 N -0.75 -1.10 0.68 2.13 0.00 -1.26 -0.10 121.76 121.35 3a15 s ALA 34 Ca 0.12 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.95 3a15 s ALA 34 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3a15 s ALA 34 CO 0.01 -0.26 0.00 -0.40 0.00 0.00 0.00 175.76 175.11 3a15 n ASP 35 N 1.78 0.00 0.00 0.00 5.68 -1.26 -4.92 116.55 117.83 3a15 n ASP 35 Ca -0.18 -0.88 0.05 0.00 -0.50 0.00 0.00 54.79 53.28 3a15 n ASP 35 Cb 0.56 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.78 3a15 n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a15 n ASP 36 N -2.64 0.00 0.18 -1.12 5.75 -1.26 -2.02 116.55 115.44 3a15 n ASP 36 Ca 0.00 0.41 0.02 0.00 -0.01 0.00 0.00 54.79 55.22 3a15 n ASP 36 Cb 0.00 -0.45 0.35 0.00 -1.03 0.00 0.00 41.12 39.99 3a15 n ASP 36 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a15 h ALA 37 N 2.39 1.36 -1.74 2.12 0.00 -2.01 -3.39 119.26 118.00 3a15 h ALA 37 Ca 0.00 -0.35 -0.63 0.00 0.00 0.00 0.00 54.91 53.93 3a15 h ALA 37 Cb 0.16 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.74 3a15 h ALA 37 CO 0.00 0.47 0.48 -1.17 0.00 0.00 0.00 179.25 179.03 3a15 s LEU 38 N -8.14 4.44 -0.22 0.00 2.96 -0.86 -4.84 118.68 112.03 3a15 s LEU 38 Ca -0.03 -0.89 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 3a15 s LEU 38 Cb 0.14 -2.49 -0.15 0.00 0.50 0.00 0.00 46.19 44.19 3a15 s LEU 38 CO 0.72 -1.34 -0.18 0.00 -1.32 0.00 0.00 176.35 174.24 3a15 n GLN 39 N 7.45 0.61 -3.65 1.98 6.02 -1.26 -4.65 117.38 123.88 3a15 n GLN 39 Ca -0.03 0.12 -0.06 0.00 -0.01 0.00 0.00 57.00 57.01 3a15 n GLN 39 Cb 0.46 -1.45 -0.07 0.00 1.02 0.00 0.00 30.24 30.20 3a15 n GLN 39 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3a15 s GLN 40 N -2.45 0.64 0.36 -1.09 0.74 -1.26 -0.84 119.66 115.76 3a15 s GLN 40 Ca -0.28 1.23 0.07 0.00 0.05 0.00 0.00 55.36 56.43 3a15 s GLN 40 Cb 0.08 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 3a15 s GLN 40 CO 0.54 -0.17 0.47 0.14 -0.55 0.00 0.00 175.29 175.73 3a15 s VAL 41 N 1.93 3.63 -0.09 1.34 -7.23 -0.79 -3.51 120.40 115.68 3a15 s VAL 41 Ca -0.09 -1.06 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 3a15 s VAL 41 Cb -0.07 -3.25 0.01 0.00 0.56 0.00 0.00 36.38 33.64 3a15 s VAL 41 CO -0.19 -0.11 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.65 3a15 s VAL 42 N -2.26 1.44 -0.35 1.32 1.01 -0.40 -3.34 120.40 117.83 3a15 s VAL 42 Ca 0.48 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 3a15 s VAL 42 Cb -0.09 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.04 3a15 s VAL 42 CO 0.31 0.43 0.12 -0.04 0.00 0.00 0.00 175.10 175.92 3a15 s MET 43 N 0.78 2.50 -0.33 2.72 -1.94 0.25 -0.97 119.30 122.30 3a15 s MET 43 Ca -0.11 -1.33 -0.06 0.00 -1.71 0.00 0.00 55.69 52.49 3a15 s MET 43 Cb -0.16 -3.48 0.04 0.00 2.01 0.00 0.00 34.83 33.25 3a15 s MET 43 CO 0.02 -0.76 0.09 0.20 -0.01 0.00 0.00 175.02 174.56 3a15 s GLY 44 N 1.55 1.83 -0.36 -0.03 0.00 0.48 -1.41 107.32 109.39 3a15 s GLY 44 Ca -0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 44.72 42.80 3a15 s GLY 44 CO 0.01 0.77 0.33 -0.19 0.00 0.00 0.00 173.10 174.01 3a15 s TYR 45 N 1.37 3.21 -0.23 1.90 1.51 -0.12 -0.71 117.35 124.28 3a15 s TYR 45 Ca -0.02 -0.21 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3a15 s TYR 45 Cb -0.20 -2.63 0.00 0.00 -0.11 0.00 0.00 41.96 39.03 3a15 s TYR 45 CO 0.02 -0.47 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.43 3a15 s LEU 46 N 1.89 2.96 0.12 -1.29 1.02 0.43 -0.87 118.68 122.95 3a15 s LEU 46 Ca 0.09 -0.55 0.08 0.00 0.02 0.00 0.00 54.13 53.77 3a15 s LEU 46 Cb -0.17 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3a15 s LEU 46 CO 0.11 -0.06 -0.14 -0.83 0.02 0.00 0.00 176.35 175.46 3a15 s GLY 47 N 1.43 1.73 -0.10 -3.19 0.00 0.11 -0.58 107.32 106.73 3a15 s GLY 47 Ca 0.04 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.44 3a15 s GLY 47 CO -0.04 -1.32 -0.13 0.14 0.00 0.00 0.00 173.10 171.75 3a15 s VAL 48 N -1.25 1.31 -0.01 1.40 1.01 0.57 -1.66 120.40 121.77 3a15 s VAL 48 Ca 0.20 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3a15 s VAL 48 Cb -0.10 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3a15 s VAL 48 CO 0.12 0.40 -0.25 -1.58 0.00 0.00 0.00 175.10 173.80 3a15 s GLN 49 N 1.01 1.97 0.03 2.72 0.74 0.76 -0.56 119.66 126.34 3a15 s GLN 49 Ca -0.07 -0.89 -0.16 0.00 0.05 0.00 0.00 55.36 54.29 3a15 s GLN 49 Cb -0.15 -1.92 0.03 0.00 1.10 0.00 0.00 33.01 32.07 3a15 s GLN 49 CO -0.01 0.53 0.36 -0.59 -0.55 0.00 0.00 175.29 175.02 3a15 s PHE 50 N -0.59 -0.19 -0.24 1.67 -0.71 -0.14 -0.56 117.98 117.20 3a15 s PHE 50 Ca 0.10 0.14 -0.05 0.00 -1.04 0.00 0.00 56.93 56.08 3a15 s PHE 50 Cb -0.09 0.15 -0.13 0.00 -1.21 0.00 0.00 43.02 41.74 3a15 s PHE 50 CO -0.01 -0.52 -0.26 -2.13 -1.34 0.00 0.00 175.22 170.96 3a15 n ARG 51 N 0.66 0.56 -4.08 1.99 0.63 -1.26 0.06 116.66 115.23 3a15 n ARG 51 Ca -0.19 0.18 -0.31 0.00 -0.92 0.00 0.00 57.85 56.61 3a15 n ARG 51 Cb 0.59 -1.44 -0.07 0.00 0.45 0.00 0.00 32.46 32.00 3a15 n ARG 51 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3a15 s ASP 52 N -6.75 5.55 0.51 6.15 1.01 -1.26 -4.71 116.67 117.17 3a15 s ASP 52 Ca -0.33 0.03 0.16 0.00 0.71 0.00 0.00 52.55 53.12 3a15 s ASP 52 Cb 0.11 -1.52 1.25 0.00 1.01 0.00 0.00 42.92 43.77 3a15 s ASP 52 CO 0.50 0.20 2.13 -0.08 0.21 0.00 0.00 175.17 178.13 3a15 h GLU 53 N 3.56 0.00 0.00 8.23 4.22 -2.01 -0.67 114.58 127.91 3a15 h GLU 53 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 3a15 h GLU 53 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3a15 h GLU 53 CO 0.65 0.03 0.00 -0.40 -2.18 0.00 0.00 179.01 177.11 3a15 n ASP 54 N -4.47 0.34 -0.05 1.04 5.68 -1.26 -2.16 116.55 115.66 3a15 n ASP 54 Ca -0.03 0.58 0.13 0.00 -0.50 0.00 0.00 54.79 54.97 3a15 n ASP 54 Cb 0.12 -0.65 0.40 0.00 -1.14 0.00 0.00 41.12 39.84 3a15 n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a15 n GLN 55 N -1.87 0.20 -0.13 0.11 6.02 -0.26 -4.40 117.38 117.05 3a15 n GLN 55 Ca 0.03 -0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 56.87 3a15 n GLN 55 Cb 0.21 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.00 3a15 n GLN 55 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 3a15 h ARG 56 N 0.23 0.39 -0.51 -1.09 2.43 -1.54 -0.56 114.38 113.72 3a15 h ARG 56 Ca 0.00 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3a15 h ARG 56 Cb 0.48 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 3a15 h ARG 56 CO 0.00 0.26 0.28 -1.35 -1.51 0.00 0.00 179.97 177.64 3a15 h PRO 57 N 0.40 0.52 -0.78 0.20 0.11 -1.81 0.43 132.00 131.07 3a15 h PRO 57 Ca 0.19 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 3a15 h PRO 57 Cb 0.12 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.08 3a15 h PRO 57 CO -0.15 0.35 0.33 0.00 -0.21 0.00 0.00 178.00 178.31 3a15 h ALA 58 N 1.26 1.11 -0.37 -0.75 0.00 -1.76 -1.36 119.26 117.39 3a15 h ALA 58 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3a15 h ALA 58 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3a15 h ALA 58 CO -0.14 0.64 0.12 0.00 0.00 0.00 0.00 179.25 179.88 3a15 h ALA 59 N 1.23 0.49 -0.51 0.00 0.00 -0.69 -0.74 119.26 119.04 3a15 h ALA 59 Ca 0.26 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3a15 h ALA 59 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3a15 h ALA 59 CO -0.03 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 179.25 3a15 h LEU 60 N 0.45 0.84 -0.47 0.00 3.38 -0.75 -1.36 115.31 117.41 3a15 h LEU 60 Ca 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3a15 h LEU 60 Cb 0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3a15 h LEU 60 CO -0.00 0.92 0.14 -0.61 0.09 0.00 0.00 178.44 178.97 3a15 h GLN 61 N 0.80 0.73 -0.69 1.13 5.75 -1.06 -1.25 115.11 120.53 3a15 h GLN 61 Ca 0.15 -0.16 0.08 0.00 -0.15 0.00 0.00 58.65 58.56 3a15 h GLN 61 Cb 0.51 -0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 3a15 h GLN 61 CO 0.03 0.71 0.35 0.00 -2.65 0.00 0.00 178.83 177.27 3a15 h ALA 62 N 1.00 0.94 -0.38 3.38 0.00 -0.83 0.29 119.26 123.65 3a15 h ALA 62 Ca 0.15 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3a15 h ALA 62 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3a15 h ALA 62 CO -0.00 -0.02 0.22 1.98 0.00 0.00 0.00 179.25 181.43 3a15 h MET 63 N 0.62 0.53 -0.96 0.00 1.85 -0.92 -0.79 114.93 115.27 3a15 h MET 63 Ca 0.33 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.36 3a15 h MET 63 Cb 0.30 -0.11 -0.05 0.00 0.43 0.00 0.00 31.60 32.17 3a15 h MET 63 CO -0.24 0.41 0.59 0.00 -0.40 0.00 0.00 176.91 177.27 3a15 h ARG 64 N 0.50 1.29 -0.64 0.39 3.08 -0.84 -0.83 114.38 117.32 3a15 h ARG 64 Ca 0.14 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3a15 h ARG 64 Cb 0.02 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 29.77 3a15 h ARG 64 CO -0.02 0.89 0.41 -0.44 -1.07 0.00 0.00 179.97 179.74 3a15 h ASP 65 N 1.32 0.76 -0.52 7.04 3.32 -0.52 0.01 116.42 127.83 3a15 h ASP 65 Ca 0.34 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.32 3a15 h ASP 65 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3a15 h ASP 65 CO -0.07 0.58 0.20 0.40 -1.72 0.00 0.00 179.24 178.62 3a15 h ILE 66 N 0.87 1.22 -0.64 0.35 2.04 -0.61 -1.71 117.51 119.03 3a15 h ILE 66 Ca 0.23 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 3a15 h ILE 66 Cb -0.06 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3a15 h ILE 66 CO -0.05 0.26 0.20 0.58 0.00 0.00 0.00 178.15 179.15 3a15 h VAL 67 N 0.70 1.25 -0.85 1.67 2.07 -0.87 -1.91 116.25 118.31 3a15 h VAL 67 Ca 0.17 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3a15 h VAL 67 Cb 0.22 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3a15 h VAL 67 CO -0.01 0.33 0.52 0.00 0.02 0.00 0.00 177.57 178.42 3a15 h ALA 68 N 1.08 1.32 -0.41 1.67 0.00 -0.81 -1.46 119.26 120.64 3a15 h ALA 68 Ca 0.21 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3a15 h ALA 68 Cb 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a15 h ALA 68 CO -0.01 0.59 0.28 0.78 0.00 0.00 0.00 179.25 180.89 3a15 h GLY 69 N 1.18 0.44 2.00 0.00 0.00 -0.64 -1.39 103.07 104.66 3a15 h GLY 69 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3a15 h GLY 69 CO -0.06 0.12 -0.02 0.74 0.00 0.00 0.00 176.54 177.32 3a15 h PHE 70 N 0.37 0.00 0.00 5.60 -1.00 -0.52 -2.77 116.94 118.62 3a15 h PHE 70 Ca 0.18 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 3a15 h PHE 70 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 3a15 h PHE 70 CO -0.00 0.02 -0.05 -0.25 -1.61 0.00 0.00 178.31 176.42 3a15 n ASP 71 N -3.16 0.65 -4.73 2.17 8.00 -0.52 -4.00 116.55 114.95 3a15 n ASP 71 Ca -0.01 0.52 -0.30 0.00 0.71 0.00 0.00 54.79 55.71 3a15 n ASP 71 Cb 0.23 -0.66 0.12 0.00 -0.02 0.00 0.00 41.12 40.80 3a15 n ASP 71 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 72 N -4.19 2.49 0.41 0.64 1.43 -1.05 -4.89 118.68 113.53 3a15 s LEU 72 Ca 0.11 1.60 -0.25 0.00 -1.03 0.00 0.00 54.13 54.56 3a15 s LEU 72 Cb 0.14 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 42.15 3a15 s LEU 72 CO 0.59 -2.47 1.17 -2.65 0.23 0.00 0.00 176.35 173.23 3a15 n PRO 73 N -3.78 1.72 -0.94 1.29 -0.02 -1.26 -1.34 135.00 130.67 3a15 n PRO 73 Ca 0.08 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3a15 n PRO 73 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3a15 n PRO 73 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a15 n ASP 74 N 0.37 -3.14 -4.49 2.55 8.00 -1.26 -4.74 116.55 113.83 3a15 n ASP 74 Ca 0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.29 3a15 n ASP 74 Cb 0.39 -1.66 0.25 0.00 -0.02 0.00 0.00 41.12 40.08 3a15 n ASP 74 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3a15 s GLY 75 N -2.00 1.55 0.76 0.44 0.00 -0.45 -4.50 107.32 103.12 3a15 s GLY 75 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 3a15 s GLY 75 CO 0.00 0.65 1.09 2.56 0.00 0.00 0.00 173.10 177.40 3a15 s PRO 76 N -4.44 2.33 0.29 2.90 0.04 -1.26 -4.95 135.00 129.90 3a15 s PRO 76 Ca 0.69 1.20 0.14 0.00 0.04 0.00 0.00 61.00 63.06 3a15 s PRO 76 Cb -0.25 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 32.70 3a15 s PRO 76 CO 0.65 -1.59 1.56 0.00 0.04 0.00 0.00 177.00 177.66 3a15 h ALA 77 N -0.98 0.81 -2.49 8.56 0.00 -1.39 -3.46 119.26 120.30 3a15 h ALA 77 Ca -0.44 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 53.85 3a15 h ALA 77 Cb 1.23 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3a15 h ALA 77 CO 0.52 0.70 -0.23 -1.58 0.00 0.00 0.00 179.25 178.66 3a15 s HIS 78 N -3.31 -0.25 0.10 0.00 5.65 -1.18 -5.02 115.29 111.28 3a15 s HIS 78 Ca 0.01 0.43 -0.14 0.00 0.25 0.00 0.00 55.06 55.61 3a15 s HIS 78 Cb 0.10 0.13 0.02 0.00 -1.18 0.00 0.00 32.58 31.66 3a15 s HIS 78 CO 0.74 -0.39 0.33 -3.38 -0.65 0.00 0.00 174.74 171.38 3a15 s HIS 79 N -1.16 -0.09 0.12 3.88 -0.00 -1.26 -1.00 115.29 115.78 3a15 s HIS 79 Ca -0.12 -0.22 -0.04 0.00 -0.00 0.00 0.00 55.06 54.68 3a15 s HIS 79 Cb -0.04 0.14 -0.03 0.00 -0.00 0.00 0.00 32.58 32.65 3a15 s HIS 79 CO 0.04 -0.62 0.12 0.16 -0.00 0.00 0.00 174.74 174.45 3a15 s ASP 80 N -2.68 0.24 -0.02 7.38 1.47 -0.74 -5.00 116.67 117.32 3a15 s ASP 80 Ca 0.02 -1.01 0.07 0.00 1.18 0.00 0.00 52.55 52.81 3a15 s ASP 80 Cb 0.02 0.33 -0.02 0.00 -0.34 0.00 0.00 42.92 42.91 3a15 s ASP 80 CO -0.10 -0.76 -0.23 -0.76 0.68 0.00 0.00 175.17 174.00 3a15 s LEU 81 N -2.98 2.05 0.08 2.11 1.43 -1.26 -1.44 118.68 118.66 3a15 s LEU 81 Ca 0.17 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3a15 s LEU 81 Cb 0.06 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3a15 s LEU 81 CO -0.02 0.28 0.02 0.42 0.23 0.00 0.00 176.35 177.28 3a15 s THR 82 N -0.54 0.17 0.02 5.49 -4.23 0.14 -0.93 115.64 115.77 3a15 s THR 82 Ca 0.09 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 58.84 3a15 s THR 82 Cb -0.09 -1.69 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 3a15 s THR 82 CO -0.01 -0.77 -0.11 -2.28 -0.54 0.00 0.00 174.62 170.91 3a15 s HIS 83 N -3.96 0.93 0.16 3.99 5.04 -0.26 -0.81 115.29 120.38 3a15 s HIS 83 Ca 0.13 -0.28 -0.18 0.00 -1.54 0.00 0.00 55.06 53.19 3a15 s HIS 83 Cb 0.07 -0.57 0.04 0.00 0.04 0.00 0.00 32.58 32.16 3a15 s HIS 83 CO -0.06 -0.01 0.50 -3.38 -2.34 0.00 0.00 174.74 169.45 3a15 s HIS 84 N -0.62 -0.24 -0.19 3.88 -3.43 -0.77 -1.44 115.29 112.47 3a15 s HIS 84 Ca 0.01 -0.07 -0.03 0.00 -0.80 0.00 0.00 55.06 54.17 3a15 s HIS 84 Cb -0.06 0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 31.45 3a15 s HIS 84 CO 0.00 -0.83 -0.05 0.42 -2.00 0.00 0.00 174.74 172.29 3a15 s ILE 85 N -3.82 3.51 0.93 -5.38 1.01 -1.26 -0.66 121.20 115.53 3a15 s ILE 85 Ca 0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3a15 s ILE 85 Cb 0.00 -2.56 0.20 0.00 0.01 0.00 0.00 42.46 40.10 3a15 s ILE 85 CO -0.08 0.45 1.28 1.51 0.00 0.00 0.00 174.94 178.10 3a15 s ASP 86 N 1.00 3.23 0.00 3.58 1.47 -0.26 -4.90 116.67 120.79 3a15 s ASP 86 Ca 0.00 0.10 0.26 0.00 1.18 0.00 0.00 52.55 54.09 3a15 s ASP 86 Cb -0.15 -0.16 1.54 0.00 -0.34 0.00 0.00 42.92 43.81 3a15 s ASP 86 CO 0.00 -2.64 1.91 -0.46 0.68 0.00 0.00 175.17 174.66 3a15 n ASN 87 N -3.63 0.00 -1.02 2.11 0.23 -1.26 -1.18 115.26 110.51 3a15 n ASN 87 Ca 0.16 -0.89 0.11 0.00 -0.53 0.00 0.00 54.58 53.43 3a15 n ASN 87 Cb 0.60 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.46 3a15 n ASN 87 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a15 n GLN 88 N -0.98 2.31 -0.78 -3.83 1.13 -1.26 -4.97 117.38 109.00 3a15 n GLN 88 Ca 0.19 -2.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.17 3a15 n GLN 88 Cb 0.09 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.97 3a15 n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a15 n GLY 89 N 1.35 0.65 3.80 1.08 0.00 -0.32 -5.05 105.19 106.71 3a15 n GLY 89 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3a15 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a15 s TYR 90 N -2.24 3.80 0.21 1.61 1.51 -1.26 -4.82 117.35 116.16 3a15 s TYR 90 Ca 0.00 1.41 -0.19 0.00 -1.01 0.00 0.00 57.07 57.28 3a15 s TYR 90 Cb 0.00 -2.61 -0.08 0.00 -0.11 0.00 0.00 41.96 39.16 3a15 s TYR 90 CO 0.00 0.51 0.69 -1.21 -1.11 0.00 0.00 175.55 174.43 3a15 s GLU 91 N -1.33 4.20 -0.08 -0.62 2.02 0.11 -1.10 118.70 121.90 3a15 s GLU 91 Ca 0.34 0.79 -0.02 0.00 0.02 0.00 0.00 54.97 56.11 3a15 s GLU 91 Cb -0.20 -2.89 0.03 0.00 0.10 0.00 0.00 34.13 31.17 3a15 s GLU 91 CO 0.22 0.41 0.03 -0.80 0.02 0.00 0.00 175.26 175.15 3a15 s ASN 92 N -1.66 1.60 -0.20 -0.19 0.01 0.17 -0.97 114.94 113.70 3a15 s ASN 92 Ca 0.42 -0.14 -0.13 0.00 -0.71 0.00 0.00 52.86 52.30 3a15 s ASN 92 Cb -0.16 -0.32 -0.05 0.00 0.41 0.00 0.00 41.25 41.13 3a15 s ASN 92 CO 0.21 -0.24 0.26 -0.76 -1.51 0.00 0.00 177.10 175.05 3a15 s LEU 93 N 2.05 4.18 -0.11 0.60 1.43 0.28 -1.84 118.68 125.27 3a15 s LEU 93 Ca 0.04 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 3a15 s LEU 93 Cb -0.13 -2.29 0.02 0.00 0.03 0.00 0.00 46.19 43.82 3a15 s LEU 93 CO -0.05 0.06 -0.14 -0.63 0.23 0.00 0.00 176.35 175.82 3a15 s ILE 94 N 0.84 1.40 -0.29 -0.59 1.01 0.01 -0.32 121.20 123.26 3a15 s ILE 94 Ca 0.13 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 3a15 s ILE 94 Cb -0.13 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3a15 s ILE 94 CO 0.04 0.42 0.16 -0.69 0.00 0.00 0.00 174.94 174.87 3a15 s VAL 95 N 1.06 4.86 -0.19 2.92 1.01 0.25 -0.68 120.40 129.64 3a15 s VAL 95 Ca -0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3a15 s VAL 95 Cb -0.15 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 3a15 s VAL 95 CO -0.02 0.18 0.07 0.54 0.00 0.00 0.00 175.10 175.86 3a15 s VAL 96 N 1.68 4.81 0.04 2.92 0.11 -0.52 -0.43 120.40 129.00 3a15 s VAL 96 Ca 0.06 -0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.16 3a15 s VAL 96 Cb -0.16 -3.17 -0.03 0.00 -1.53 0.00 0.00 36.38 31.48 3a15 s VAL 96 CO 0.08 0.45 -0.21 -0.83 -3.33 0.00 0.00 175.10 171.26 3a15 s GLY 97 N 0.43 1.51 -0.11 6.54 0.00 0.11 -1.79 107.32 114.01 3a15 s GLY 97 Ca 0.03 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.58 3a15 s GLY 97 CO 0.00 -1.09 -0.23 -0.19 0.00 0.00 0.00 173.10 171.59 3a15 s TYR 98 N -0.87 2.59 0.07 1.90 1.51 -0.17 -0.38 117.35 121.99 3a15 s TYR 98 Ca 0.13 -1.14 0.07 0.00 -1.01 0.00 0.00 57.07 55.12 3a15 s TYR 98 Cb -0.10 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 39.97 3a15 s TYR 98 CO 0.04 -0.48 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.28 3a15 s TRP 99 N 0.49 2.66 -1.49 2.71 0.51 -0.15 -0.88 118.94 122.79 3a15 s TRP 99 Ca -0.15 -0.19 0.27 0.00 -2.12 0.00 0.00 56.10 53.91 3a15 s TRP 99 Cb -0.17 -1.45 0.91 0.00 -0.81 0.00 0.00 33.47 31.95 3a15 s TRP 99 CO 0.06 0.36 1.67 1.63 -0.51 0.00 0.00 176.95 180.15 3a15 n LYS 100 N 1.10 0.53 -3.68 4.98 5.02 -1.26 -1.28 118.16 123.58 3a15 n LYS 100 Ca -0.15 -0.25 -0.12 0.00 -2.02 0.00 0.00 58.31 55.77 3a15 n LYS 100 Cb 0.52 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3a15 n LYS 100 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 3a15 s ASP 101 N -2.64 -0.23 0.15 4.39 -4.77 -1.23 -4.48 116.67 107.85 3a15 s ASP 101 Ca 0.22 -0.13 -0.12 0.00 -3.30 0.00 0.00 52.55 49.22 3a15 s ASP 101 Cb 0.19 0.42 0.02 0.00 -1.09 0.00 0.00 42.92 42.46 3a15 s ASP 101 CO 0.54 -0.71 1.59 0.58 0.70 0.00 0.00 175.17 177.88 3a15 h VAL 102 N 2.87 1.26 -0.48 2.11 2.07 -1.88 -3.22 116.25 118.99 3a15 h VAL 102 Ca -0.32 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 3a15 h VAL 102 Cb 1.22 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3a15 h VAL 102 CO 0.45 0.39 0.10 0.77 0.02 0.00 0.00 177.57 179.30 3a15 h SER 103 N 0.75 0.68 -0.37 0.57 4.64 -1.97 -2.16 113.55 115.68 3a15 h SER 103 Ca 0.14 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3a15 h SER 103 Cb 0.54 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3a15 h SER 103 CO 0.03 0.69 0.04 0.77 -0.87 0.00 0.00 176.83 177.48 3a15 h SER 104 N 0.71 0.61 -0.46 4.97 4.64 -1.92 0.07 113.55 122.17 3a15 h SER 104 Ca 0.16 -0.28 -0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3a15 h SER 104 Cb 0.29 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3a15 h SER 104 CO 0.00 0.74 0.16 -0.61 -0.87 0.00 0.00 176.83 176.25 3a15 h GLN 105 N 0.46 0.76 -0.28 4.77 -0.00 -1.54 -0.43 115.11 118.85 3a15 h GLN 105 Ca 0.11 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.59 3a15 h GLN 105 Cb 0.40 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.75 3a15 h GLN 105 CO 0.01 0.66 0.02 1.25 0.00 0.00 0.00 178.83 180.77 3a15 h HIS 106 N 0.74 0.52 -0.60 3.99 2.76 -1.00 0.22 115.15 121.78 3a15 h HIS 106 Ca 0.17 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.32 3a15 h HIS 106 Cb 0.22 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3a15 h HIS 106 CO 0.01 0.60 0.31 0.00 -1.30 0.00 0.00 177.93 177.56 3a15 h ARG 107 N 0.28 0.56 0.13 5.26 3.08 -0.64 -1.76 114.38 121.29 3a15 h ARG 107 Ca 0.08 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3a15 h ARG 107 Cb 0.38 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3a15 h ARG 107 CO 0.01 0.37 -0.06 2.35 -1.07 0.00 0.00 179.97 181.57 3a15 h TRP 108 N 0.58 -0.17 -0.36 3.04 7.01 -0.87 -1.56 115.95 123.62 3a15 h TRP 108 Ca 0.28 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.23 3a15 h TRP 108 Cb 0.20 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 3a15 h TRP 108 CO -0.10 -0.04 0.06 0.66 -2.79 0.00 0.00 178.44 176.23 3a15 h SER 109 N -0.25 0.50 0.68 2.65 4.64 -0.68 -2.45 113.55 118.63 3a15 h SER 109 Ca -0.02 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3a15 h SER 109 Cb 0.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3a15 h SER 109 CO 0.03 0.52 -0.38 0.35 -0.87 0.00 0.00 176.83 176.48 3a15 n THR 110 N -4.32 0.05 -2.05 2.95 -2.24 -0.68 -2.98 114.28 105.00 3a15 n THR 110 Ca 0.02 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3a15 n THR 110 Cb 0.20 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.43 3a15 n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a15 s SER 111 N -3.16 6.53 0.20 3.42 1.04 -0.59 -4.67 113.70 116.48 3a15 s SER 111 Ca 0.11 2.72 -0.13 0.00 0.48 0.00 0.00 55.95 59.13 3a15 s SER 111 Cb 0.17 -2.65 0.24 0.00 0.10 0.00 0.00 66.02 63.88 3a15 s SER 111 CO 0.66 -0.70 1.66 0.74 0.98 0.00 0.00 173.24 176.58 3a15 h THR 112 N 2.80 0.50 0.00 2.02 2.02 -1.90 -0.23 112.91 118.12 3a15 h THR 112 Ca -0.49 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 3a15 h THR 112 Cb 1.24 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3a15 h THR 112 CO 0.64 0.01 -0.08 1.55 0.37 0.00 0.00 175.52 178.01 3a15 h PRO 113 N 0.08 0.00 0.00 6.66 0.13 -1.93 -1.09 132.00 135.84 3a15 h PRO 113 Ca 0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 3a15 h PRO 113 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3a15 h PRO 113 CO -0.52 0.08 -0.45 0.82 -0.23 0.00 0.00 178.00 177.71 3a15 h ILE 114 N 0.00 1.31 -0.88 -3.56 1.08 -1.47 -3.26 117.51 110.73 3a15 h ILE 114 Ca -0.00 -2.15 -0.01 0.00 -0.39 0.00 0.00 64.86 62.31 3a15 h ILE 114 Cb 0.15 2.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.50 3a15 h ILE 114 CO 0.01 0.44 0.50 0.00 -0.69 0.00 0.00 178.15 178.42 3a15 h ALA 115 N -0.27 1.22 -0.54 1.87 0.00 -0.99 -2.32 119.26 118.23 3a15 h ALA 115 Ca -0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3a15 h ALA 115 Cb 1.02 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3a15 h ALA 115 CO -0.07 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.48 3a15 h SER 116 N 1.23 0.90 -0.26 0.00 4.64 -1.36 -1.17 113.55 117.53 3a15 h SER 116 Ca 0.31 -0.24 -0.03 0.00 -0.47 0.00 0.00 61.79 61.36 3a15 h SER 116 Cb -0.01 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 3a15 h SER 116 CO -0.05 0.96 0.03 -0.25 -0.87 0.00 0.00 176.83 176.65 3a15 h TRP 117 N 0.86 0.47 -0.06 4.77 7.01 -1.53 -2.29 115.95 125.18 3a15 h TRP 117 Ca 0.16 -0.07 -0.12 0.00 2.11 0.00 0.00 58.89 60.97 3a15 h TRP 117 Cb 0.51 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 3a15 h TRP 117 CO 0.03 0.56 -0.50 2.35 -2.79 0.00 0.00 178.44 178.09 3a15 h TRP 118 N 0.24 0.19 -0.01 2.65 2.91 -1.24 -3.09 115.95 117.60 3a15 h TRP 118 Ca 0.08 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.04 3a15 h TRP 118 Cb 0.36 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 3a15 h TRP 118 CO 0.03 0.63 -0.31 0.39 -1.03 0.00 0.00 178.44 178.15 3a15 n GLU 119 N -3.95 0.90 -1.92 2.65 1.02 -0.46 -4.96 120.64 113.93 3a15 n GLU 119 Ca -0.02 -0.59 -0.39 0.00 -0.02 0.00 0.00 57.16 56.15 3a15 n GLU 119 Cb 0.53 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.48 3a15 n GLU 119 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a15 s SER 120 N -2.50 5.79 0.53 1.62 0.15 -0.86 -4.91 113.70 113.51 3a15 s SER 120 Ca 0.23 2.71 0.29 0.00 0.70 0.00 0.00 55.95 59.88 3a15 s SER 120 Cb 0.19 -2.64 1.49 0.00 -1.71 0.00 0.00 66.02 63.35 3a15 s SER 120 CO 0.53 -1.21 2.08 -0.33 1.20 0.00 0.00 173.24 175.51 3a15 h GLU 121 N 2.03 0.00 -0.76 5.44 3.07 -1.91 -2.57 114.58 119.89 3a15 h GLU 121 Ca -0.50 0.00 0.15 0.00 -0.50 0.00 0.00 59.36 58.50 3a15 h GLU 121 Cb 1.27 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.13 3a15 h GLU 121 CO 0.60 0.11 0.50 -0.44 -1.40 0.00 0.00 179.01 178.38 3a15 h ASP 122 N 0.00 0.41 0.02 1.42 3.32 -1.93 -0.87 116.42 118.79 3a15 h ASP 122 Ca -0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3a15 h ASP 122 Cb 0.34 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3a15 h ASP 122 CO 0.01 0.21 -0.01 0.03 -1.72 0.00 0.00 179.24 177.76 3a15 h ARG 123 N 0.44 0.00 0.00 3.56 2.47 -1.75 -0.07 114.38 119.03 3a15 h ARG 123 Ca 0.37 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.97 3a15 h ARG 123 Cb 0.82 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.12 3a15 h ARG 123 CO -0.12 0.01 -0.95 -0.07 0.56 0.00 0.00 179.97 179.40 3a15 h LEU 124 N 0.00 0.00 -0.43 3.04 3.38 -1.34 -3.36 115.31 116.60 3a15 h LEU 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a15 h LEU 124 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a15 h LEU 124 CO 0.00 0.46 -0.71 -1.54 0.09 0.00 0.00 178.44 176.74 3a15 n SER 125 N -3.01 1.37 0.24 -0.43 3.41 -0.78 -4.34 113.62 110.08 3a15 n SER 125 Ca -0.03 -1.18 0.07 0.00 -0.26 0.00 0.00 58.87 57.47 3a15 n SER 125 Cb 0.75 0.77 0.59 0.00 -0.26 0.00 0.00 64.21 66.06 3a15 n SER 125 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a15 h ASP 126 N 1.00 0.00 0.00 4.04 3.32 -1.18 -3.46 116.42 120.14 3a15 h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a15 h ASP 126 Cb 0.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3a15 h ASP 126 CO 0.00 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.24 3a15 n GLY 127 N -1.16 2.06 3.89 2.75 0.00 -1.26 -5.03 105.19 106.44 3a15 n GLY 127 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3a15 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a15 s LEU 128 N 0.00 3.96 0.15 0.99 1.43 -1.26 -4.95 118.68 119.00 3a15 s LEU 128 Ca 0.00 0.95 -0.15 0.00 -1.03 0.00 0.00 54.13 53.90 3a15 s LEU 128 Cb 0.00 -3.79 -0.07 0.00 0.03 0.00 0.00 46.19 42.36 3a15 s LEU 128 CO 0.00 -0.28 0.56 -0.83 0.23 0.00 0.00 176.35 176.03 3a15 s GLY 129 N -3.07 2.47 0.05 -3.19 0.00 0.27 -4.73 107.32 99.12 3a15 s GLY 129 Ca 0.48 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 45.13 3a15 s GLY 129 CO 0.29 0.18 -0.11 -1.36 0.00 0.00 0.00 173.10 172.10 3a15 s PHE 130 N -1.46 0.98 0.10 1.90 0.08 -0.08 -0.17 117.98 119.33 3a15 s PHE 130 Ca 0.38 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.90 3a15 s PHE 130 Cb -0.15 -0.57 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 3a15 s PHE 130 CO 0.19 0.00 0.25 -0.59 -0.10 0.00 0.00 175.22 174.97 3a15 s PHE 131 N -1.12 0.05 -0.06 0.36 -0.12 -0.66 -0.09 117.98 116.34 3a15 s PHE 131 Ca -0.03 -0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 3a15 s PHE 131 Cb -0.09 0.03 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 3a15 s PHE 131 CO 0.01 -0.58 0.01 1.03 -0.05 0.00 0.00 175.22 175.64 3a15 s ARG 132 N -3.81 0.45 -0.32 1.99 0.52 -0.32 -0.71 118.95 116.75 3a15 s ARG 132 Ca 0.04 0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 3a15 s ARG 132 Cb 0.04 -0.82 0.09 0.00 0.52 0.00 0.00 34.95 34.79 3a15 s ARG 132 CO -0.11 -0.28 0.04 -1.21 0.02 0.00 0.00 175.30 173.76 3a15 s GLU 133 N 1.85 1.35 -0.15 3.54 2.02 -0.04 -0.73 118.70 126.53 3a15 s GLU 133 Ca 0.02 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.45 3a15 s GLU 133 Cb -0.12 -2.83 0.02 0.00 0.10 0.00 0.00 34.13 31.29 3a15 s GLU 133 CO -0.04 -0.90 -0.15 0.42 0.02 0.00 0.00 175.26 174.61 3a15 s ILE 134 N 1.13 1.64 0.07 -1.63 1.01 0.15 -0.95 121.20 122.62 3a15 s ILE 134 Ca 0.08 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3a15 s ILE 134 Cb -0.19 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 3a15 s ILE 134 CO -0.12 0.47 -0.13 0.68 0.00 0.00 0.00 174.94 175.84 3a15 s VAL 135 N 1.44 0.99 -0.40 2.92 -7.23 -0.50 -0.96 120.40 116.65 3a15 s VAL 135 Ca 0.04 -1.29 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 3a15 s VAL 135 Cb -0.13 -1.01 0.16 0.00 0.56 0.00 0.00 36.38 35.96 3a15 s VAL 135 CO -0.11 -0.29 0.30 0.00 -0.31 0.00 0.00 175.10 174.70 3a15 s ALA 136 N -1.40 1.38 0.26 1.32 0.00 -0.22 -0.59 121.76 122.51 3a15 s ALA 136 Ca -0.03 -2.32 -0.30 0.00 0.00 0.00 0.00 51.96 49.31 3a15 s ALA 136 Cb -0.09 -1.63 -0.09 0.00 0.00 0.00 0.00 23.12 21.30 3a15 s ALA 136 CO 0.02 -2.03 0.99 -1.25 0.00 0.00 0.00 175.76 173.49 3a15 s PRO 137 N 0.34 4.78 0.96 0.00 0.04 -1.21 -4.80 135.00 135.11 3a15 s PRO 137 Ca 0.27 1.58 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 3a15 s PRO 137 Cb -0.07 -3.22 0.17 0.00 0.04 0.00 0.00 34.50 31.42 3a15 s PRO 137 CO -0.12 0.41 1.09 1.03 0.04 0.00 0.00 177.00 179.45 3a15 s ARG 138 N -1.31 0.72 0.41 4.56 0.52 -1.26 -1.88 118.95 120.71 3a15 s ARG 138 Ca 0.43 0.77 0.11 0.00 -0.52 0.00 0.00 55.73 56.52 3a15 s ARG 138 Cb -0.27 -1.75 0.93 0.00 0.52 0.00 0.00 34.95 34.38 3a15 s ARG 138 CO 0.34 -2.60 1.95 0.00 0.02 0.00 0.00 175.30 175.02 3a15 h ALA 139 N -1.81 1.93 0.00 2.13 0.00 -1.26 0.30 119.26 120.56 3a15 h ALA 139 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3a15 h ALA 139 Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a15 h ALA 139 CO 0.54 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.87 3a15 n GLU 140 N -4.48 0.49 -0.35 0.00 0.00 -1.26 -3.68 120.64 111.35 3a15 n GLU 140 Ca 0.11 0.01 0.07 0.00 0.00 0.00 0.00 57.16 57.36 3a15 n GLU 140 Cb 0.36 -1.50 0.23 0.00 0.00 0.00 0.00 31.44 30.53 3a15 n GLU 140 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3a15 n GLN 141 N -1.24 3.05 -3.95 3.44 6.02 0.09 -1.27 117.38 123.53 3a15 n GLN 141 Ca 0.15 -2.50 -0.08 0.00 -0.01 0.00 0.00 57.00 54.56 3a15 n GLN 141 Cb 0.21 -1.59 -0.09 0.00 1.02 0.00 0.00 30.24 29.79 3a15 n GLN 141 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3a15 s PHE 142 N -1.82 0.28 0.06 1.08 -0.12 -1.23 -0.73 117.98 115.50 3a15 s PHE 142 Ca 0.35 -0.71 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 3a15 s PHE 142 Cb 0.24 -0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.41 3a15 s PHE 142 CO 0.15 -0.44 -0.06 -1.83 -0.05 0.00 0.00 175.22 172.99 3a15 s GLU 143 N -3.51 0.64 0.15 1.99 4.04 -0.29 -4.56 118.70 117.16 3a15 s GLU 143 Ca 0.03 -1.05 0.05 0.00 0.04 0.00 0.00 54.97 54.04 3a15 s GLU 143 Cb 0.04 -0.12 -0.04 0.00 0.02 0.00 0.00 34.13 34.03 3a15 s GLU 143 CO -0.09 -0.02 -0.11 0.95 -1.84 0.00 0.00 175.26 174.15 3a15 s THR 144 N -2.73 1.28 -0.19 1.83 -4.23 -1.26 -1.42 115.64 108.92 3a15 s THR 144 Ca 0.01 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.43 3a15 s THR 144 Cb -0.01 -1.81 0.08 0.00 1.34 0.00 0.00 72.50 72.11 3a15 s THR 144 CO -0.04 -0.66 0.41 -0.22 -0.54 0.00 0.00 174.62 173.57 3a15 s LEU 145 N -3.05 -0.54 -0.05 4.79 2.96 -0.25 -4.65 118.68 117.89 3a15 s LEU 145 Ca 0.16 0.96 0.05 0.00 -0.22 0.00 0.00 54.13 55.07 3a15 s LEU 145 Cb 0.01 1.31 -0.01 0.00 0.50 0.00 0.00 46.19 48.00 3a15 s LEU 145 CO 0.02 -0.23 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.31 3a15 s TYR 146 N 2.42 2.03 -0.30 5.38 2.02 0.52 -0.70 117.35 128.72 3a15 s TYR 146 Ca -0.03 -0.61 0.02 0.00 -0.37 0.00 0.00 57.07 56.08 3a15 s TYR 146 Cb -0.11 -1.35 0.37 0.00 -0.40 0.00 0.00 41.96 40.46 3a15 s TYR 146 CO -0.13 -0.20 1.66 0.00 -1.57 0.00 0.00 175.55 175.32 3a15 n ALA 147 N 3.09 4.60 -3.71 3.71 0.00 -0.58 -1.14 120.51 126.48 3a15 n ALA 147 Ca -0.18 -1.82 -0.07 0.00 0.00 0.00 0.00 53.44 51.38 3a15 n ALA 147 Cb 0.53 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 3a15 n ALA 147 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3a15 s PHE 148 N -2.05 -0.25 -0.11 0.00 -0.12 -1.26 -4.76 117.98 109.43 3a15 s PHE 148 Ca 0.35 -0.08 0.14 0.00 -0.05 0.00 0.00 56.93 57.29 3a15 s PHE 148 Cb 0.29 0.64 0.29 0.00 -0.63 0.00 0.00 43.02 43.61 3a15 s PHE 148 CO 0.05 -0.98 1.14 1.04 -0.05 0.00 0.00 175.22 176.42 3a15 n GLN 149 N -0.43 0.92 -3.76 1.99 6.02 -1.26 -4.72 117.38 116.13 3a15 n GLN 149 Ca -0.07 -2.38 -0.13 0.00 -0.01 0.00 0.00 57.00 54.41 3a15 n GLN 149 Cb 0.61 -1.11 -0.08 0.00 1.02 0.00 0.00 30.24 30.68 3a15 n GLN 149 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3a15 s GLU 150 N -1.97 0.70 -1.16 -1.09 1.03 -1.26 -4.94 118.70 110.01 3a15 s GLU 150 Ca 0.28 -0.28 -0.24 0.00 0.03 0.00 0.00 54.97 54.75 3a15 s GLU 150 Cb 0.26 0.31 0.01 0.00 -0.80 0.00 0.00 34.13 33.91 3a15 s GLU 150 CO -0.03 -0.20 0.76 -0.25 -1.33 0.00 0.00 175.26 174.21 3a15 n ASP 151 N 1.09 -4.97 -4.71 0.83 8.00 -1.26 -4.85 116.55 110.68 3a15 n ASP 151 Ca -0.21 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.78 3a15 n ASP 151 Cb 0.57 -2.94 -0.03 0.00 -0.02 0.00 0.00 41.12 38.70 3a15 n ASP 151 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 152 N -6.74 4.37 0.77 0.64 1.43 -1.26 -5.01 118.68 112.89 3a15 s LEU 152 Ca 0.48 2.72 -0.08 0.00 -1.03 0.00 0.00 54.13 56.22 3a15 s LEU 152 Cb -0.19 -3.59 0.11 0.00 0.03 0.00 0.00 46.19 42.55 3a15 s LEU 152 CO 0.89 -0.92 1.09 -2.16 0.23 0.00 0.00 176.35 175.48 3a15 s PRO 153 N 1.55 1.68 4.82 1.29 0.04 -1.26 -2.98 135.00 140.15 3a15 s PRO 153 Ca 0.74 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.28 3a15 s PRO 153 Cb -0.46 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3a15 s PRO 153 CO 0.32 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.19 3a15 n GLY 154 N -3.11 2.25 0.26 0.56 0.00 -1.26 -2.60 105.19 101.28 3a15 n GLY 154 Ca 0.11 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.79 3a15 n GLY 154 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3a15 h VAL 155 N 0.00 0.94 -0.27 1.61 3.04 -1.99 -1.09 116.25 118.49 3a15 h VAL 155 Ca 0.00 -0.11 0.08 0.00 -1.01 0.00 0.00 66.70 65.66 3a15 h VAL 155 Cb 0.00 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.33 3a15 h VAL 155 CO 0.00 0.03 0.21 1.23 -1.01 0.00 0.00 177.57 178.03 3a15 h GLY 156 N 0.11 0.00 2.00 3.17 0.00 -1.79 -1.27 103.07 105.29 3a15 h GLY 156 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3a15 h GLY 156 CO 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.50 3a15 h ALA 157 N 1.82 1.13 -0.05 3.60 0.00 -1.08 -2.51 119.26 122.17 3a15 h ALA 157 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a15 h ALA 157 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3a15 h ALA 157 CO -0.00 0.06 0.00 1.33 0.00 0.00 0.00 179.25 180.64 3a15 n VAL 158 N -3.32 0.05 -2.05 0.00 0.24 -0.49 -4.96 118.33 107.80 3a15 n VAL 158 Ca -0.02 -0.52 -0.28 0.00 -2.04 0.00 0.00 64.34 61.48 3a15 n VAL 158 Cb 0.19 1.32 0.19 0.00 -1.47 0.00 0.00 33.84 34.07 3a15 n VAL 158 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3a15 n MET 159 N 0.97 -1.05 0.03 7.34 2.81 -0.95 -4.95 117.12 121.32 3a15 n MET 159 Ca 0.10 -2.16 -0.11 0.00 -1.81 0.00 0.00 57.70 53.73 3a15 n MET 159 Cb 0.43 -1.21 -0.13 0.00 -0.71 0.00 0.00 33.22 31.60 3a15 n MET 159 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3a15 h ASP 160 N -1.50 0.12 -0.00 7.83 3.32 -0.79 -3.49 116.42 121.91 3a15 h ASP 160 Ca -0.40 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3a15 h ASP 160 Cb 1.18 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3a15 h ASP 160 CO 0.31 1.16 0.00 0.61 -1.72 0.00 0.00 179.24 179.59 3a15 n GLY 161 N 1.54 0.73 3.43 2.75 0.00 -0.94 -5.01 105.19 107.69 3a15 n GLY 161 Ca -0.12 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 3a15 n GLY 161 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3a15 s ILE 162 N -2.03 2.66 1.06 -0.61 1.10 -1.26 -0.65 121.20 121.46 3a15 s ILE 162 Ca 0.00 -1.23 -0.17 0.00 -0.51 0.00 0.00 60.65 58.74 3a15 s ILE 162 Cb 0.00 -2.10 0.23 0.00 0.15 0.00 0.00 42.46 40.74 3a15 s ILE 162 CO 0.00 0.34 1.20 -0.94 -2.11 0.00 0.00 174.94 173.43 3a15 s SER 163 N -1.40 2.20 0.93 4.50 1.04 0.03 -4.83 113.70 116.17 3a15 s SER 163 Ca 0.14 0.54 -0.01 0.00 0.48 0.00 0.00 55.95 57.11 3a15 s SER 163 Cb -0.10 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.27 3a15 s SER 163 CO 0.05 -3.33 0.07 0.61 0.98 0.00 0.00 173.24 171.62 3a15 n GLY 164 N -2.26 -0.94 3.74 7.32 0.00 -1.26 -4.74 105.19 107.05 3a15 n GLY 164 Ca 0.13 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 3a15 n GLY 164 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a15 s GLU 165 N -3.09 4.15 0.12 1.61 2.02 -1.26 -4.57 118.70 117.69 3a15 s GLU 165 Ca 0.04 2.53 0.03 0.00 0.02 0.00 0.00 54.97 57.58 3a15 s GLU 165 Cb -0.00 -3.06 -0.04 0.00 0.10 0.00 0.00 34.13 31.13 3a15 s GLU 165 CO 0.03 -0.64 0.19 0.96 0.02 0.00 0.00 175.26 175.82 3a15 s ILE 166 N 0.48 4.99 0.08 -1.63 -4.36 -0.80 -3.54 121.20 116.42 3a15 s ILE 166 Ca 0.67 -0.73 -0.13 0.00 -0.26 0.00 0.00 60.65 60.20 3a15 s ILE 166 Cb -0.47 -3.51 -0.24 0.00 1.25 0.00 0.00 42.46 39.49 3a15 s ILE 166 CO 0.41 -0.01 1.19 -1.13 0.24 0.00 0.00 174.94 175.64 3a15 h ASN 167 N 2.62 0.87 -0.90 4.36 -0.73 -1.50 -3.42 115.58 116.87 3a15 h ASN 167 Ca -0.47 -0.71 -0.73 0.00 1.87 0.00 0.00 56.30 56.25 3a15 h ASN 167 Cb 1.18 -0.27 -0.10 0.00 0.27 0.00 0.00 38.32 39.41 3a15 h ASN 167 CO 0.68 1.52 2.59 -0.62 -0.37 0.00 0.00 177.43 181.23 3a15 n GLU 168 N -3.83 3.84 -3.81 6.67 4.71 -1.26 -4.52 120.64 122.44 3a15 n GLU 168 Ca -0.11 -3.17 -0.09 0.00 -0.01 0.00 0.00 57.16 53.78 3a15 n GLU 168 Cb 0.90 -2.86 -0.03 0.00 -1.01 0.00 0.00 31.44 28.43 3a15 n GLU 168 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 3a15 s HIS 169 N 0.55 -0.07 0.00 -0.32 -3.43 -1.26 -4.67 115.29 106.09 3a15 s HIS 169 Ca 0.50 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3a15 s HIS 169 Cb 0.14 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 3a15 s HIS 169 CO -0.05 -1.04 0.00 0.41 -2.00 0.00 0.00 174.74 172.06 3a15 n GLY 170 N -0.39 0.83 3.29 -1.38 0.00 -1.26 -4.68 105.19 101.59 3a15 n GLY 170 Ca -0.07 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 3a15 n GLY 170 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3a15 s TYR 171 N -2.00 -0.33 0.22 1.61 1.13 -1.26 -4.92 117.35 111.79 3a15 s TYR 171 Ca 0.00 0.67 -0.31 0.00 -1.41 0.00 0.00 57.07 56.02 3a15 s TYR 171 Cb 0.00 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.90 3a15 s TYR 171 CO 0.00 -0.34 1.61 -1.58 -2.51 0.00 0.00 175.55 172.73 3a15 s TRP 172 N -0.70 2.94 0.00 -3.49 0.52 -1.26 -1.51 118.94 115.45 3a15 s TRP 172 Ca -0.08 0.62 0.00 0.00 0.02 0.00 0.00 56.10 56.66 3a15 s TRP 172 Cb -0.04 -4.01 0.00 0.00 -1.15 0.00 0.00 33.47 28.27 3a15 s TRP 172 CO 0.03 -3.65 0.00 0.41 0.02 0.00 0.00 176.95 173.76 3a15 n GLY 173 N 3.31 0.43 0.22 0.98 0.00 -1.26 -4.97 105.19 103.90 3a15 n GLY 173 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3a15 n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a15 h SER 174 N 0.00 0.45 -0.39 1.61 4.64 -1.60 -3.10 113.55 115.16 3a15 h SER 174 Ca 0.00 -0.19 0.07 0.00 -0.47 0.00 0.00 61.79 61.20 3a15 h SER 174 Cb 0.00 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.91 3a15 h SER 174 CO 0.00 0.79 0.05 -0.03 -0.87 0.00 0.00 176.83 176.77 3a15 h MET 175 N 0.37 0.16 -0.82 4.77 -1.53 -1.83 -2.01 114.93 114.04 3a15 h MET 175 Ca 0.04 -0.01 0.08 0.00 -3.44 0.00 0.00 59.70 56.36 3a15 h MET 175 Cb 0.82 -0.04 -0.07 0.00 -0.55 0.00 0.00 31.60 31.77 3a15 h MET 175 CO 0.07 0.11 0.48 -0.09 0.14 0.00 0.00 176.91 177.62 3a15 h ARG 176 N 0.17 0.83 0.00 0.39 2.43 -1.95 -1.87 114.38 114.37 3a15 h ARG 176 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3a15 h ARG 176 Cb 0.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3a15 h ARG 176 CO -0.28 0.55 0.00 0.93 -1.51 0.00 0.00 179.97 179.66 3a15 h GLU 177 N 0.85 0.00 0.00 0.20 5.08 -1.33 -2.09 114.58 117.29 3a15 h GLU 177 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 3a15 h GLU 177 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3a15 h GLU 177 CO -0.21 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.70 3a15 h ARG 178 N 0.00 0.00 -6.20 2.33 3.08 -0.70 -3.44 114.38 109.45 3a15 h ARG 178 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3a15 h ARG 178 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3a15 h ARG 178 CO 0.00 0.00 0.98 -0.06 -1.07 0.00 0.00 179.97 179.82 3a15 s PHE 179 N -3.15 2.53 0.47 3.04 0.40 -0.79 -4.65 117.98 115.82 3a15 s PHE 179 Ca 0.09 0.73 0.14 0.00 -0.60 0.00 0.00 56.93 57.28 3a15 s PHE 179 Cb 0.10 -3.68 1.10 0.00 0.51 0.00 0.00 43.02 41.05 3a15 s PHE 179 CO 0.64 -2.43 2.06 -1.35 0.70 0.00 0.00 175.22 174.84 3a15 h PRO 180 N 8.81 0.27 0.00 0.24 0.11 -1.79 -1.13 132.00 138.51 3a15 h PRO 180 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3a15 h PRO 180 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3a15 h PRO 180 CO 0.97 0.18 0.00 0.97 -0.21 0.00 0.00 178.00 179.91 3a15 h ILE 181 N 0.28 0.00 0.00 4.15 2.10 -1.54 -2.18 117.51 120.32 3a15 h ILE 181 Ca 0.15 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.85 3a15 h ILE 181 Cb 0.25 1.12 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 3a15 h ILE 181 CO -0.03 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.50 3a15 n SER 182 N -2.82 0.40 0.26 2.19 3.41 -0.43 -0.69 113.62 115.95 3a15 n SER 182 Ca -0.00 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3a15 n SER 182 Cb 0.19 -0.71 0.71 0.00 -0.26 0.00 0.00 64.21 64.13 3a15 n SER 182 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3a15 h GLN 183 N 0.00 0.00 0.00 4.33 4.20 -1.57 -3.36 115.11 118.72 3a15 h GLN 183 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3a15 h GLN 183 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3a15 h GLN 183 CO 0.00 0.12 0.00 0.25 -0.67 0.00 0.00 178.83 178.53 3a15 n THR 184 N -3.80 0.00 -3.91 -0.54 -2.24 -0.59 -1.09 114.28 102.10 3a15 n THR 184 Ca -0.02 -0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 3a15 n THR 184 Cb 0.22 1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 69.58 3a15 n THR 184 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3a15 s ASP 185 N -0.08 0.24 0.03 3.42 -1.08 0.13 -4.82 116.67 114.50 3a15 s ASP 185 Ca 0.00 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.22 3a15 s ASP 185 Cb 0.00 -0.10 0.87 0.00 -1.46 0.00 0.00 42.92 42.23 3a15 s ASP 185 CO 0.00 -0.05 1.66 0.79 0.52 0.00 0.00 175.17 178.08 3a15 n TRP 186 N 3.67 0.10 -3.93 -5.34 7.02 -1.26 -4.10 117.44 113.60 3a15 n TRP 186 Ca -0.21 0.03 -0.28 0.00 -1.02 0.00 0.00 57.50 56.03 3a15 n TRP 186 Cb 0.54 -0.56 0.01 0.00 -2.42 0.00 0.00 31.31 28.88 3a15 n TRP 186 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3a15 n MET 187 N -1.59 -4.40 -2.34 -0.99 2.81 -1.26 -4.89 117.12 104.46 3a15 n MET 187 Ca 0.05 0.51 -0.42 0.00 -1.81 0.00 0.00 57.70 56.04 3a15 n MET 187 Cb 0.24 -5.10 -0.03 0.00 -0.71 0.00 0.00 33.22 27.62 3a15 n MET 187 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3a15 s GLN 188 N -6.50 4.44 0.36 0.03 0.74 -1.26 -4.61 119.66 112.85 3a15 s GLN 188 Ca 0.35 1.89 -0.26 0.00 0.05 0.00 0.00 55.36 57.39 3a15 s GLN 188 Cb -0.18 -3.27 -0.09 0.00 1.10 0.00 0.00 33.01 30.57 3a15 s GLN 188 CO 0.86 -0.20 1.06 0.00 -0.55 0.00 0.00 175.29 176.45 3a15 s ALA 189 N 0.45 3.18 0.08 1.58 0.00 -1.26 -4.64 121.76 121.15 3a15 s ALA 189 Ca 0.57 0.75 -0.13 0.00 0.00 0.00 0.00 51.96 53.14 3a15 s ALA 189 Cb -0.33 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3a15 s ALA 189 CO 0.34 -0.18 0.30 -1.54 0.00 0.00 0.00 175.76 174.68 3a15 s SER 190 N -1.36 -0.10 0.00 0.00 1.04 -1.15 -5.05 113.70 107.08 3a15 s SER 190 Ca 0.53 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3a15 s SER 190 Cb -0.25 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3a15 s SER 190 CO 0.31 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3a15 n GLY 191 N 0.21 -2.44 3.14 7.32 0.00 -1.26 -2.78 105.19 109.39 3a15 n GLY 191 Ca -0.17 -1.80 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 3a15 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a15 s GLU 192 N -0.37 0.78 -0.28 1.61 8.01 -1.26 -4.95 118.70 122.24 3a15 s GLU 192 Ca 0.00 -0.87 -0.29 0.00 0.01 0.00 0.00 54.97 53.82 3a15 s GLU 192 Cb 0.00 -0.75 0.01 0.00 -4.31 0.00 0.00 34.13 29.08 3a15 s GLU 192 CO 0.00 0.17 1.07 -1.17 0.01 0.00 0.00 175.26 175.34 3a15 s LEU 193 N -1.56 3.99 -0.06 1.80 2.96 -1.26 -4.25 118.68 120.31 3a15 s LEU 193 Ca -0.03 1.18 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 3a15 s LEU 193 Cb -0.09 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.07 3a15 s LEU 193 CO 0.02 -0.81 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.00 3a15 s ARG 194 N 3.50 1.48 -0.00 1.98 0.52 -0.80 -0.79 118.95 124.85 3a15 s ARG 194 Ca 0.45 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.00 3a15 s ARG 194 Cb -0.13 -1.27 -0.05 0.00 0.52 0.00 0.00 34.95 34.02 3a15 s ARG 194 CO 0.12 0.03 1.27 0.08 0.02 0.00 0.00 175.30 176.82 3a15 s VAL 195 N 0.61 3.98 -0.16 3.52 1.01 0.30 -0.64 120.40 129.03 3a15 s VAL 195 Ca -0.12 1.37 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3a15 s VAL 195 Cb -0.15 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 3a15 s VAL 195 CO 0.03 0.03 0.20 2.30 0.00 0.00 0.00 175.10 177.66 3a15 n ILE 196 N 4.42 0.00 -3.77 2.22 -5.35 0.31 -4.15 119.36 113.04 3a15 n ILE 196 Ca 0.11 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 3a15 n ILE 196 Cb 0.45 0.72 -0.11 0.00 -1.74 0.00 0.00 39.64 38.96 3a15 n ILE 196 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a15 s ALA 197 N -1.93 -0.72 0.00 -1.28 0.00 -1.11 -4.96 121.76 111.76 3a15 s ALA 197 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3a15 s ALA 197 Cb 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3a15 s ALA 197 CO 0.25 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.27 3a15 n GLY 198 N 3.05 -2.07 2.80 0.00 0.00 -1.26 -1.07 105.19 106.63 3a15 n GLY 198 Ca -0.14 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 3a15 n GLY 198 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a15 s ASP 199 N -4.00 1.07 0.38 1.61 -1.08 -1.26 -4.93 116.67 108.45 3a15 s ASP 199 Ca 0.00 0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.28 3a15 s ASP 199 Cb 0.00 0.29 1.01 0.00 -1.46 0.00 0.00 42.92 42.76 3a15 s ASP 199 CO 0.00 -0.28 1.79 -0.65 0.52 0.00 0.00 175.17 176.55 3a15 h PRO 200 N 8.35 0.47 0.00 4.34 0.11 -1.91 -1.19 132.00 142.17 3a15 h PRO 200 Ca -0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3a15 h PRO 200 Cb 1.13 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3a15 h PRO 200 CO 0.20 0.31 -0.02 0.00 -0.21 0.00 0.00 178.00 178.28 3a15 h ALA 201 N 1.63 1.00 0.00 -0.75 0.00 -1.96 -3.05 119.26 116.14 3a15 h ALA 201 Ca 0.57 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.32 3a15 h ALA 201 Cb 1.30 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3a15 h ALA 201 CO -0.30 0.02 -2.08 0.28 0.00 0.00 0.00 179.25 177.17 3a15 n VAL 202 N -3.12 0.53 -2.05 0.00 0.31 -0.49 -4.99 118.33 108.52 3a15 n VAL 202 Ca 0.01 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 3a15 n VAL 202 Cb 0.32 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 3a15 n VAL 202 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a15 n GLY 203 N 1.54 -0.46 7.00 2.92 0.00 -0.98 -5.06 105.19 110.15 3a15 n GLY 203 Ca -0.15 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3a15 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a15 n GLY 204 N 0.00 0.71 3.71 -0.02 0.00 -1.26 -4.57 105.19 103.77 3a15 n GLY 204 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.89 3a15 n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a15 s ARG 205 N 0.00 4.45 -0.02 1.61 0.52 -1.26 -1.01 118.95 123.24 3a15 s ARG 205 Ca 0.00 0.95 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 3a15 s ARG 205 Cb 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.02 3a15 s ARG 205 CO 0.00 0.04 -0.08 0.08 0.02 0.00 0.00 175.30 175.37 3a15 s VAL 206 N 0.85 0.69 -0.08 3.52 1.01 0.02 -4.24 120.40 122.17 3a15 s VAL 206 Ca 0.39 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.10 3a15 s VAL 206 Cb -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.57 3a15 s VAL 206 CO 0.19 0.22 -0.21 -0.69 0.00 0.00 0.00 175.10 174.62 3a15 s VAL 207 N 0.24 1.78 -0.06 2.92 1.01 -0.24 -0.44 120.40 125.61 3a15 s VAL 207 Ca -0.04 -0.87 0.06 0.00 0.00 0.00 0.00 61.98 61.14 3a15 s VAL 207 Cb -0.08 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 3a15 s VAL 207 CO 0.00 0.50 -0.25 -0.69 0.00 0.00 0.00 175.10 174.66 3a15 s VAL 208 N 0.32 2.04 -0.12 2.92 1.01 0.00 -0.53 120.40 126.04 3a15 s VAL 208 Ca -0.15 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.67 3a15 s VAL 208 Cb -0.16 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 3a15 s VAL 208 CO 0.06 0.57 0.24 -0.60 0.00 0.00 0.00 175.10 175.37 3a15 s ARG 209 N -0.12 3.90 1.03 2.72 3.52 0.19 -3.15 118.95 127.05 3a15 s ARG 209 Ca -0.05 0.03 -0.17 0.00 -0.13 0.00 0.00 55.73 55.41 3a15 s ARG 209 Cb -0.14 -3.30 0.24 0.00 -1.56 0.00 0.00 34.95 30.18 3a15 s ARG 209 CO 0.04 0.52 1.32 0.20 -0.81 0.00 0.00 175.30 176.57 3a15 s GLY 210 N -0.37 1.79 0.33 8.12 0.00 -1.26 -1.91 107.32 114.02 3a15 s GLY 210 Ca 0.16 -1.28 0.04 0.00 0.00 0.00 0.00 44.72 43.65 3a15 s GLY 210 CO 0.05 -0.43 0.04 -2.38 0.00 0.00 0.00 173.10 170.38 3a15 s HIS 211 N -3.81 2.04 0.18 1.90 -3.43 -1.26 -4.74 115.29 106.17 3a15 s HIS 211 Ca 0.76 -0.90 -0.33 0.00 -0.80 0.00 0.00 55.06 53.79 3a15 s HIS 211 Cb -0.03 -1.34 -0.13 0.00 -1.43 0.00 0.00 32.58 29.65 3a15 s HIS 211 CO 0.54 0.09 1.58 -0.25 -2.00 0.00 0.00 174.74 174.70 3a15 n ASP 212 N -0.71 3.22 -3.09 7.38 8.00 -1.12 -2.90 116.55 127.33 3a15 n ASP 212 Ca -0.03 1.09 -0.23 0.00 0.71 0.00 0.00 54.79 56.34 3a15 n ASP 212 Cb 0.66 -1.46 0.04 0.00 -0.02 0.00 0.00 41.12 40.35 3a15 n ASP 212 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a15 n ASN 213 N 3.27 -6.20 -4.71 -2.24 3.02 0.60 -2.92 115.26 106.08 3a15 n ASN 213 Ca 0.16 -0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 53.99 3a15 n ASN 213 Cb 0.30 -4.98 0.03 0.00 -0.61 0.00 0.00 39.78 34.52 3a15 n ASN 213 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3a15 n ILE 214 N -4.60 3.23 -4.53 2.41 5.41 -1.14 -4.04 119.36 116.10 3a15 n ILE 214 Ca -0.10 -0.50 -0.31 0.00 1.00 0.00 0.00 62.75 62.85 3a15 n ILE 214 Cb 0.61 -1.56 -0.12 0.00 -0.71 0.00 0.00 39.64 37.87 3a15 n ILE 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a15 s ALA 215 N -1.28 2.71 -0.08 -1.39 0.00 -0.80 -2.68 121.76 118.24 3a15 s ALA 215 Ca 0.67 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3a15 s ALA 215 Cb -0.46 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 21.88 3a15 s ALA 215 CO 0.53 0.59 -0.10 -1.17 0.00 0.00 0.00 175.76 175.61 3a15 s LEU 216 N -1.62 1.47 -0.10 0.00 2.96 -0.15 -0.34 118.68 120.90 3a15 s LEU 216 Ca 0.16 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 3a15 s LEU 216 Cb -0.11 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3a15 s LEU 216 CO 0.07 -0.02 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.46 3a15 s ILE 217 N 1.01 3.28 -0.26 6.68 2.07 0.02 -1.14 121.20 132.87 3a15 s ILE 217 Ca -0.08 -0.60 -0.01 0.00 -1.41 0.00 0.00 60.65 58.55 3a15 s ILE 217 Cb -0.15 -2.36 0.04 0.00 0.13 0.00 0.00 42.46 40.12 3a15 s ILE 217 CO -0.00 0.55 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.91 3a15 s ARG 218 N -0.09 2.60 -0.14 3.50 3.52 -0.22 -0.82 118.95 127.29 3a15 s ARG 218 Ca -0.01 -1.13 0.02 0.00 -0.13 0.00 0.00 55.73 54.48 3a15 s ARG 218 Cb -0.14 -3.00 0.01 0.00 -1.56 0.00 0.00 34.95 30.27 3a15 s ARG 218 CO 0.03 -0.49 -0.19 0.45 -0.81 0.00 0.00 175.30 174.29 3a15 s SER 219 N 1.25 2.94 0.23 -2.12 0.15 -0.99 -0.88 113.70 114.29 3a15 s SER 219 Ca -0.03 -0.57 0.09 0.00 0.70 0.00 0.00 55.95 56.14 3a15 s SER 219 Cb -0.18 -1.36 -0.05 0.00 -1.71 0.00 0.00 66.02 62.73 3a15 s SER 219 CO -0.04 0.03 -0.16 -0.83 1.20 0.00 0.00 173.24 173.45 3a15 s GLY 220 N 1.03 1.59 -0.03 9.45 0.00 0.06 -0.79 107.32 118.63 3a15 s GLY 220 Ca -0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 44.72 42.94 3a15 s GLY 220 CO -0.05 -1.83 0.03 1.20 0.00 0.00 0.00 173.10 172.45 3a15 s GLN 221 N -3.61 0.06 -0.22 2.90 1.11 -0.31 -2.64 119.66 116.96 3a15 s GLN 221 Ca 0.25 0.21 -0.02 0.00 0.01 0.00 0.00 55.36 55.81 3a15 s GLN 221 Cb -0.02 -0.42 0.07 0.00 -1.01 0.00 0.00 33.01 31.63 3a15 s GLN 221 CO 0.10 -0.21 0.03 0.34 0.01 0.00 0.00 175.29 175.56 3a15 s ASP 222 N 1.42 3.25 -0.15 5.90 -1.08 0.09 -0.26 116.67 125.84 3a15 s ASP 222 Ca -0.04 -1.02 0.16 0.00 -0.52 0.00 0.00 52.55 51.13 3a15 s ASP 222 Cb -0.13 -0.72 0.47 0.00 -1.46 0.00 0.00 42.92 41.08 3a15 s ASP 222 CO -0.03 -0.32 1.36 -2.67 0.52 0.00 0.00 175.17 174.04 3a15 n TRP 223 N 4.96 0.75 0.24 -5.34 2.14 -0.53 -1.04 117.44 118.62 3a15 n TRP 223 Ca -0.08 -0.86 0.08 0.00 2.07 0.00 0.00 57.50 58.71 3a15 n TRP 223 Cb 0.46 -0.26 0.59 0.00 -0.81 0.00 0.00 31.31 31.28 3a15 n TRP 223 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3a15 h ALA 224 N 1.54 1.54 -0.01 -1.67 0.00 -1.85 -2.41 119.26 116.40 3a15 h ALA 224 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a15 h ALA 224 Cb 1.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3a15 h ALA 224 CO 0.17 0.20 -0.53 -0.25 0.00 0.00 0.00 179.25 178.84 3a15 n ASP 225 N -4.07 1.45 -4.75 0.00 8.00 -1.26 -4.98 116.55 110.94 3a15 n ASP 225 Ca -0.02 -1.15 -0.41 0.00 0.71 0.00 0.00 54.79 53.91 3a15 n ASP 225 Cb 0.24 0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.80 3a15 n ASP 225 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a15 s ALA 226 N -2.63 3.59 0.90 2.24 0.00 -0.91 -4.92 121.76 120.03 3a15 s ALA 226 Ca 0.17 1.33 -0.13 0.00 0.00 0.00 0.00 51.96 53.34 3a15 s ALA 226 Cb 0.18 -3.54 0.13 0.00 0.00 0.00 0.00 23.12 19.89 3a15 s ALA 226 CO 0.63 -0.74 1.16 -1.21 0.00 0.00 0.00 175.76 175.59 3a15 s GLU 227 N -0.83 1.20 0.22 0.00 2.02 -1.26 -4.70 118.70 115.35 3a15 s GLU 227 Ca 0.56 0.19 -0.09 0.00 0.02 0.00 0.00 54.97 55.66 3a15 s GLU 227 Cb -0.42 -1.85 0.32 0.00 0.10 0.00 0.00 34.13 32.28 3a15 s GLU 227 CO 0.47 -2.14 1.70 0.00 0.02 0.00 0.00 175.26 175.31 3a15 h ALA 228 N -1.45 0.74 -0.49 5.21 0.00 -1.99 0.30 119.26 121.57 3a15 h ALA 228 Ca -0.49 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3a15 h ALA 228 Cb 1.32 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 3a15 h ALA 228 CO 0.60 -0.32 0.17 -0.44 0.00 0.00 0.00 179.25 179.26 3a15 h ASP 229 N 0.25 0.71 0.04 0.00 3.32 -1.99 -2.26 116.42 116.48 3a15 h ASP 229 Ca 0.33 -0.19 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 3a15 h ASP 229 Cb 0.51 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3a15 h ASP 229 CO -0.43 0.71 -0.74 -0.08 -1.72 0.00 0.00 179.24 176.98 3a15 h GLU 230 N 0.66 0.61 -0.66 3.56 4.81 -1.70 -2.47 114.58 119.38 3a15 h GLU 230 Ca 0.16 -0.49 0.10 0.00 -0.13 0.00 0.00 59.36 59.01 3a15 h GLU 230 Cb 0.25 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 29.65 3a15 h GLU 230 CO -0.01 1.11 0.27 0.00 -0.73 0.00 0.00 179.01 179.65 3a15 h ARG 231 N 0.42 0.45 -0.40 1.92 3.08 -0.85 -0.76 114.38 118.24 3a15 h ARG 231 Ca -0.04 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.00 3a15 h ARG 231 Cb 1.34 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3a15 h ARG 231 CO 0.14 0.30 0.24 0.77 -1.07 0.00 0.00 179.97 180.35 3a15 h SER 232 N 0.47 0.38 -0.27 7.04 0.02 -1.25 0.15 113.55 120.09 3a15 h SER 232 Ca 0.34 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.32 3a15 h SER 232 Cb 0.42 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3a15 h SER 232 CO -0.31 0.27 0.09 -0.07 -1.14 0.00 0.00 176.83 175.67 3a15 h LEU 233 N 0.48 0.09 0.17 5.07 3.38 -0.94 0.65 115.31 124.21 3a15 h LEU 233 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3a15 h LEU 233 Cb 0.01 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3a15 h LEU 233 CO -0.08 0.09 -0.08 0.22 0.09 0.00 0.00 178.44 178.68 3a15 h TYR 234 N 0.21 -0.22 -0.01 1.13 3.20 -0.90 -1.57 116.97 118.81 3a15 h TYR 234 Ca 0.12 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.84 3a15 h TYR 234 Cb 0.09 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 3a15 h TYR 234 CO -0.13 0.12 -0.69 -0.07 -1.64 0.00 0.00 178.16 175.74 3a15 h LEU 235 N -0.58 0.08 0.00 2.82 3.38 -0.65 0.24 115.31 120.60 3a15 h LEU 235 Ca -0.02 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.66 3a15 h LEU 235 Cb 0.44 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3a15 h LEU 235 CO 0.04 0.74 -2.04 0.47 0.09 0.00 0.00 178.44 177.74 3a15 n ASP 236 N -3.74 0.24 -0.08 -0.43 8.00 0.21 -4.32 116.55 116.43 3a15 n ASP 236 Ca -0.02 0.11 -0.17 0.00 0.71 0.00 0.00 54.79 55.42 3a15 n ASP 236 Cb 0.68 1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 42.72 3a15 n ASP 236 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a15 n GLU 237 N -2.68 0.35 -0.07 -1.24 -0.58 -0.63 -4.71 120.64 111.07 3a15 n GLU 237 Ca -0.20 0.15 -0.14 0.00 -0.42 0.00 0.00 57.16 56.55 3a15 n GLU 237 Cb 0.94 -1.08 -0.12 0.00 -0.57 0.00 0.00 31.44 30.60 3a15 n GLU 237 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 3a15 h ILE 238 N -0.59 1.69 -0.80 -3.67 2.04 -1.01 -3.37 117.51 111.80 3a15 h ILE 238 Ca -0.40 -2.29 0.06 0.00 1.00 0.00 0.00 64.86 63.23 3a15 h ILE 238 Cb 1.34 3.22 -0.06 0.00 -0.74 0.00 0.00 36.82 40.57 3a15 h ILE 238 CO -0.25 0.57 0.48 0.25 0.00 0.00 0.00 178.15 179.21 3a15 h LEU 239 N -1.00 0.74 -1.43 1.44 5.85 -0.72 -1.29 115.31 118.91 3a15 h LEU 239 Ca -0.02 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3a15 h LEU 239 Cb 0.99 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 3a15 h LEU 239 CO -0.01 0.47 0.46 -0.65 -0.34 0.00 0.00 178.44 178.36 3a15 h PRO 240 N 0.87 0.66 -0.32 5.25 0.11 -1.75 0.41 132.00 137.24 3a15 h PRO 240 Ca 0.36 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 3a15 h PRO 240 Cb 0.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3a15 h PRO 240 CO -0.18 0.44 -0.47 1.79 -0.21 0.00 0.00 178.00 179.37 3a15 h THR 241 N 0.68 1.28 -0.13 -1.15 1.35 -1.42 -1.80 112.91 111.72 3a15 h THR 241 Ca 0.30 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3a15 h THR 241 Cb 0.31 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3a15 h THR 241 CO -0.10 0.54 0.07 0.25 -0.25 0.00 0.00 175.52 176.03 3a15 h LEU 242 N 0.68 0.17 -0.66 3.87 5.85 -0.60 -2.48 115.31 122.13 3a15 h LEU 242 Ca 0.03 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3a15 h LEU 242 Cb 1.07 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 3a15 h LEU 242 CO 0.11 0.22 0.28 -0.61 -0.34 0.00 0.00 178.44 178.09 3a15 h GLN 243 N 0.10 0.46 -0.72 1.25 5.75 -0.13 -0.61 115.11 121.22 3a15 h GLN 243 Ca 0.05 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3a15 h GLN 243 Cb 0.09 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 3a15 h GLN 243 CO -0.01 0.30 0.45 0.77 -2.65 0.00 0.00 178.83 177.69 3a15 h SER 244 N 0.47 0.85 -0.58 -0.69 0.02 -1.17 -0.27 113.55 112.19 3a15 h SER 244 Ca 0.34 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.14 3a15 h SER 244 Cb 0.41 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3a15 h SER 244 CO -0.31 0.65 -0.01 1.23 -1.14 0.00 0.00 176.83 177.25 3a15 h GLY 245 N 0.97 1.11 0.93 -3.77 0.00 -0.89 -1.42 103.07 100.00 3a15 h GLY 245 Ca 0.26 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 3a15 h GLY 245 CO -0.05 0.76 0.08 -0.33 0.00 0.00 0.00 176.54 177.00 3a15 h MET 246 N 0.91 0.62 -0.72 4.80 2.07 -0.93 -1.54 114.93 120.15 3a15 h MET 246 Ca 0.16 -0.15 0.04 0.00 -2.07 0.00 0.00 59.70 57.68 3a15 h MET 246 Cb 0.56 -0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 30.17 3a15 h MET 246 CO 0.03 0.66 0.44 -0.44 1.07 0.00 0.00 176.91 178.66 3a15 h ASP 247 N 0.47 0.69 0.09 1.22 3.32 -0.99 -0.21 116.42 121.02 3a15 h ASP 247 Ca 0.12 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3a15 h ASP 247 Cb 0.32 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3a15 h ASP 247 CO 0.00 0.47 -0.10 0.15 -1.72 0.00 0.00 179.24 178.04 3a15 h PHE 248 N 0.83 -0.26 -0.15 4.55 3.57 -0.96 -1.83 116.94 122.69 3a15 h PHE 248 Ca 0.30 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 3a15 h PHE 248 Cb 0.09 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3a15 h PHE 248 CO -0.05 -0.16 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.47 3a15 h LEU 249 N -0.22 0.30 -0.96 0.59 3.38 -0.93 0.83 115.31 118.29 3a15 h LEU 249 Ca 0.01 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 3a15 h LEU 249 Cb 0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3a15 h LEU 249 CO -0.04 0.62 0.04 -0.09 0.09 0.00 0.00 178.44 179.06 3a15 h ARG 250 N 0.25 0.79 -0.00 1.13 2.43 -0.83 -2.73 114.38 115.42 3a15 h ARG 250 Ca 0.03 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3a15 h ARG 250 Cb 0.71 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3a15 h ARG 250 CO 0.05 0.77 -0.56 -0.25 -1.51 0.00 0.00 179.97 178.48 3a15 n ASP 251 N -4.23 0.75 -0.96 -3.80 8.00 -0.71 -4.45 116.55 111.14 3a15 n ASP 251 Ca 0.03 -0.87 0.05 0.00 0.71 0.00 0.00 54.79 54.70 3a15 n ASP 251 Cb 0.28 0.92 0.09 0.00 -0.02 0.00 0.00 41.12 42.38 3a15 n ASP 251 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3a15 n ASN 252 N -1.13 1.23 -0.06 -2.24 3.02 0.26 -4.94 115.26 111.40 3a15 n ASN 252 Ca 0.03 -2.72 -0.07 0.00 -0.03 0.00 0.00 54.58 51.78 3a15 n ASN 252 Cb 0.22 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 39.00 3a15 n ASN 252 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3a15 h GLY 253 N 0.79 0.21 1.19 7.41 0.00 -1.66 -2.04 103.07 108.97 3a15 h GLY 253 Ca -0.11 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.38 3a15 h GLY 253 CO 0.05 -0.08 0.33 -2.55 0.00 0.00 0.00 176.54 174.28 3a15 h PRO 254 N 0.02 0.25 0.00 4.80 0.11 -1.89 -0.19 132.00 135.10 3a15 h PRO 254 Ca 0.12 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 3a15 h PRO 254 Cb 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3a15 h PRO 254 CO -0.25 0.17 -0.24 0.00 -0.21 0.00 0.00 178.00 177.47 3a15 h ALA 255 N 1.75 1.33 -0.00 -0.75 0.00 -1.73 -3.14 119.26 116.73 3a15 h ALA 255 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a15 h ALA 255 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3a15 h ALA 255 CO -0.04 0.30 -0.06 1.33 0.00 0.00 0.00 179.25 180.78 3a15 n VAL 256 N -3.86 0.00 -0.55 0.00 0.24 -0.73 -5.00 118.33 108.44 3a15 n VAL 256 Ca -0.02 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.81 3a15 n VAL 256 Cb 0.33 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 3a15 n VAL 256 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a15 n GLY 257 N 0.52 0.83 3.42 7.63 0.00 -0.25 -4.76 105.19 112.58 3a15 n GLY 257 Ca 0.02 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 3a15 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a15 h TYR 259 N 8.73 0.85 -2.49 0.00 0.05 -1.02 -3.34 116.97 119.74 3a15 h TYR 259 Ca -0.28 -0.09 -0.08 0.00 0.05 0.00 0.00 58.73 58.33 3a15 h TYR 259 Cb 1.11 -0.25 -0.25 0.00 1.01 0.00 0.00 36.73 38.36 3a15 h TYR 259 CO 0.62 0.73 -0.20 0.45 -1.05 0.00 0.00 178.16 178.70 3a15 s SER 260 N -6.59 -0.61 -0.10 3.88 0.15 -1.09 -4.69 113.70 104.65 3a15 s SER 260 Ca -0.10 1.04 -0.00 0.00 0.70 0.00 0.00 55.95 57.59 3a15 s SER 260 Cb 0.15 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.43 3a15 s SER 260 CO 0.80 -0.20 -0.07 0.21 1.20 0.00 0.00 173.24 175.18 3a15 s ASN 261 N 1.24 2.05 -0.05 5.45 2.47 -1.26 -1.09 114.94 123.75 3a15 s ASN 261 Ca -0.08 -0.27 0.06 0.00 0.42 0.00 0.00 52.86 52.99 3a15 s ASN 261 Cb -0.07 -0.79 -0.01 0.00 -1.45 0.00 0.00 41.25 38.94 3a15 s ASN 261 CO -0.12 -0.11 -0.25 -0.13 -3.72 0.00 0.00 177.10 172.77 3a15 s ARG 262 N 1.63 2.40 -0.24 0.43 0.52 -0.40 -4.64 118.95 118.66 3a15 s ARG 262 Ca 0.03 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3a15 s ARG 262 Cb -0.13 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.30 3a15 s ARG 262 CO -0.07 0.41 -0.12 0.12 0.02 0.00 0.00 175.30 175.66 3a15 s PHE 263 N -0.25 3.11 0.15 -0.53 5.36 -1.26 -0.99 117.98 123.57 3a15 s PHE 263 Ca -0.01 -2.01 0.09 0.00 -0.96 0.00 0.00 56.93 54.04 3a15 s PHE 263 Cb -0.13 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 3a15 s PHE 263 CO 0.03 -0.84 -0.21 0.14 -1.46 0.00 0.00 175.22 172.88 3a15 s VAL 264 N 1.19 1.95 -0.09 3.12 -7.23 0.05 -4.75 120.40 114.64 3a15 s VAL 264 Ca -0.04 -1.85 0.02 0.00 -1.81 0.00 0.00 61.98 58.31 3a15 s VAL 264 Cb -0.18 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.89 3a15 s VAL 264 CO -0.07 -0.18 -0.15 -0.60 -0.31 0.00 0.00 175.10 173.79 3a15 s ARG 265 N -2.51 2.95 0.48 4.82 6.06 -0.52 -1.09 118.95 129.14 3a15 s ARG 265 Ca 0.15 -0.72 -0.23 0.00 -2.50 0.00 0.00 55.73 52.42 3a15 s ARG 265 Cb -0.08 -2.47 -0.07 0.00 0.06 0.00 0.00 34.95 32.39 3a15 s ARG 265 CO 0.07 0.39 1.30 -0.80 -2.50 0.00 0.00 175.30 173.75 3a15 s ASN 266 N -0.11 5.80 0.18 -2.12 -0.87 -0.42 -1.10 114.94 116.30 3a15 s ASN 266 Ca -0.02 2.64 0.06 0.00 -1.57 0.00 0.00 52.86 53.97 3a15 s ASN 266 Cb -0.14 -2.63 -0.05 0.00 -0.02 0.00 0.00 41.25 38.42 3a15 s ASN 266 CO 0.04 -1.20 -0.13 0.27 -2.57 0.00 0.00 177.10 173.52 3a15 s ILE 267 N -1.35 1.47 0.83 0.60 -4.36 -0.10 -0.47 121.20 117.82 3a15 s ILE 267 Ca 0.65 -2.13 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 3a15 s ILE 267 Cb -0.37 -1.94 0.17 0.00 1.25 0.00 0.00 42.46 41.57 3a15 s ILE 267 CO 0.45 -0.66 1.14 1.51 0.24 0.00 0.00 174.94 177.62 3a15 s ASP 268 N -3.23 3.73 0.62 4.36 1.47 -0.12 -4.39 116.67 119.11 3a15 s ASP 268 Ca 0.19 -0.27 0.36 0.00 1.18 0.00 0.00 52.55 54.01 3a15 s ASP 268 Cb 0.01 0.10 2.03 0.00 -0.34 0.00 0.00 42.92 44.72 3a15 s ASP 268 CO 0.04 -2.30 2.28 -0.29 0.68 0.00 0.00 175.17 175.58 3a15 h ILE 269 N -1.00 0.30 -0.00 2.11 6.09 -1.99 0.10 117.51 123.12 3a15 h ILE 269 Ca -0.38 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.04 3a15 h ILE 269 Cb 1.25 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.58 3a15 h ILE 269 CO 0.36 0.01 -0.09 0.47 -3.07 0.00 0.00 178.15 175.83 3a15 n ASP 270 N -3.49 0.19 0.00 2.19 8.00 -1.26 -4.91 116.55 117.27 3a15 n ASP 270 Ca -0.03 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3a15 n ASP 270 Cb 0.10 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3a15 n ASP 270 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a15 n GLY 271 N 1.37 0.74 3.82 0.44 0.00 0.02 -5.06 105.19 106.52 3a15 n GLY 271 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3a15 n GLY 271 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a15 s ASN 272 N -2.17 6.98 0.50 1.61 0.01 -1.26 -4.79 114.94 115.82 3a15 s ASN 272 Ca 0.00 1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 53.15 3a15 s ASN 272 Cb 0.00 -2.34 -0.07 0.00 0.41 0.00 0.00 41.25 39.25 3a15 s ASN 272 CO 0.00 0.19 1.17 -0.36 -1.51 0.00 0.00 177.10 176.59 3a15 s PHE 273 N -1.28 2.75 0.32 2.20 0.08 -1.26 -0.94 117.98 119.84 3a15 s PHE 273 Ca 0.34 1.53 0.09 0.00 0.12 0.00 0.00 56.93 59.00 3a15 s PHE 273 Cb -0.18 -3.38 -0.04 0.00 -0.57 0.00 0.00 43.02 38.85 3a15 s PHE 273 CO 0.19 -1.65 0.08 -0.51 -0.10 0.00 0.00 175.22 173.24 3a15 s LEU 274 N -3.36 3.22 -1.10 -0.37 1.43 0.38 -4.81 118.68 114.07 3a15 s LEU 274 Ca 0.68 -0.75 -0.06 0.00 -1.03 0.00 0.00 54.13 52.97 3a15 s LEU 274 Cb -0.28 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.30 3a15 s LEU 274 CO 0.33 -0.20 2.63 0.47 0.23 0.00 0.00 176.35 179.82 3a15 n ASP 275 N -1.05 7.66 -3.93 2.29 8.00 -1.26 -4.41 116.55 123.85 3a15 n ASP 275 Ca -0.04 -3.03 -0.10 0.00 0.71 0.00 0.00 54.79 52.33 3a15 n ASP 275 Cb 0.61 -1.37 -0.11 0.00 -0.02 0.00 0.00 41.12 40.23 3a15 n ASP 275 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3a15 s LEU 276 N -1.67 1.96 0.17 0.64 1.02 -1.26 -1.45 118.68 118.10 3a15 s LEU 276 Ca 0.58 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 54.35 3a15 s LEU 276 Cb 0.23 0.29 -0.02 0.00 0.02 0.00 0.00 46.19 46.72 3a15 s LEU 276 CO -0.11 -0.28 0.25 -0.94 0.02 0.00 0.00 176.35 175.29 3a15 s SER 277 N -1.21 0.09 0.16 2.29 1.04 0.65 -1.30 113.70 115.41 3a15 s SER 277 Ca -0.13 -1.01 -0.23 0.00 0.48 0.00 0.00 55.95 55.05 3a15 s SER 277 Cb -0.08 0.42 0.06 0.00 0.10 0.00 0.00 66.02 66.53 3a15 s SER 277 CO -0.00 -0.89 0.67 -0.72 0.98 0.00 0.00 173.24 173.28 3a15 s TYR 278 N -4.02 -0.43 0.08 5.02 1.13 -0.25 -1.16 117.35 117.72 3a15 s TYR 278 Ca 0.22 0.18 -0.17 0.00 -1.41 0.00 0.00 57.07 55.89 3a15 s TYR 278 Cb 0.04 0.59 -0.07 0.00 -1.10 0.00 0.00 41.96 41.43 3a15 s TYR 278 CO 0.03 -0.89 0.53 1.21 -2.51 0.00 0.00 175.55 173.92 3a15 s ASN 279 N -2.76 6.96 -0.28 -0.18 3.04 0.03 -0.77 114.94 120.97 3a15 s ASN 279 Ca 0.04 1.16 0.02 0.00 0.04 0.00 0.00 52.86 54.12 3a15 s ASN 279 Cb -0.02 -2.32 0.06 0.00 -1.54 0.00 0.00 41.25 37.43 3a15 s ASN 279 CO -0.08 0.24 -0.06 -0.63 -3.04 0.00 0.00 177.10 173.53 3a15 s ILE 280 N -1.19 2.35 -0.14 -5.21 1.01 -0.17 -2.36 121.20 115.50 3a15 s ILE 280 Ca 0.30 -1.70 0.01 0.00 0.00 0.00 0.00 60.65 59.26 3a15 s ILE 280 Cb -0.18 -2.44 0.02 0.00 0.01 0.00 0.00 42.46 39.87 3a15 s ILE 280 CO 0.18 -0.14 -0.16 -0.83 0.00 0.00 0.00 174.94 173.99 3a15 s GLY 281 N 1.12 1.14 -0.19 6.18 0.00 -0.00 -1.27 107.32 114.30 3a15 s GLY 281 Ca -0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 44.72 43.69 3a15 s GLY 281 CO -0.05 0.35 0.09 0.30 0.00 0.00 0.00 173.10 173.79 3a15 s HIS 282 N 1.23 3.32 0.08 1.90 3.76 -0.25 -0.80 115.29 124.53 3a15 s HIS 282 Ca -0.00 0.19 0.08 0.00 -0.15 0.00 0.00 55.06 55.17 3a15 s HIS 282 Cb -0.14 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.42 3a15 s HIS 282 CO -0.07 0.23 -0.20 -1.58 -0.85 0.00 0.00 174.74 172.27 3a15 s TRP 283 N 0.29 1.74 0.28 1.40 0.52 0.54 -0.44 118.94 123.28 3a15 s TRP 283 Ca 0.06 -0.40 0.36 0.00 0.02 0.00 0.00 56.10 56.13 3a15 s TRP 283 Cb -0.12 -0.99 1.64 0.00 -1.15 0.00 0.00 33.47 32.86 3a15 s TRP 283 CO -0.01 0.15 2.09 0.00 0.02 0.00 0.00 176.95 179.21 3a15 h ALA 284 N 4.38 1.02 -2.26 0.98 0.00 -0.75 -2.13 119.26 120.50 3a15 h ALA 284 Ca -0.44 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.50 3a15 h ALA 284 Cb 1.17 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.80 3a15 h ALA 284 CO 0.41 0.02 0.40 -1.54 0.00 0.00 0.00 179.25 178.54 3a15 s SER 285 N -5.61 -0.45 0.23 0.00 1.04 -1.26 -4.57 113.70 103.08 3a15 s SER 285 Ca -0.01 0.18 -0.06 0.00 0.48 0.00 0.00 55.95 56.54 3a15 s SER 285 Cb 0.10 0.44 0.22 0.00 0.10 0.00 0.00 66.02 66.89 3a15 s SER 285 CO 0.52 -0.64 1.84 0.25 0.98 0.00 0.00 173.24 176.18 3a15 h LEU 286 N 2.25 1.09 -0.95 2.42 5.85 -1.82 -3.02 115.31 121.13 3a15 h LEU 286 Ca -0.25 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 3a15 h LEU 286 Cb 1.23 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3a15 h LEU 286 CO 0.34 0.91 -0.32 -2.24 -0.34 0.00 0.00 178.44 176.79 3a15 h ASP 287 N 1.20 0.38 -0.72 1.25 2.03 -1.94 -0.79 116.42 117.82 3a15 h ASP 287 Ca 0.29 -0.14 -0.02 0.00 -0.73 0.00 0.00 57.03 56.43 3a15 h ASP 287 Cb 0.10 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.46 3a15 h ASP 287 CO -0.04 0.69 0.37 1.56 -1.03 0.00 0.00 179.24 180.79 3a15 h GLN 288 N 0.33 1.04 -0.44 4.15 4.20 -1.87 0.43 115.11 122.95 3a15 h GLN 288 Ca 0.04 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 3a15 h GLN 288 Cb 0.72 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3a15 h GLN 288 CO 0.06 0.79 0.13 1.25 -0.67 0.00 0.00 178.83 180.38 3a15 h LEU 289 N 1.04 0.64 -0.46 1.46 5.85 -1.31 -1.89 115.31 120.64 3a15 h LEU 289 Ca 0.26 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3a15 h LEU 289 Cb 0.07 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3a15 h LEU 289 CO -0.04 0.68 0.20 -0.33 -0.34 0.00 0.00 178.44 178.61 3a15 h GLU 290 N 0.57 0.38 -0.56 1.25 5.08 -0.74 -1.93 114.58 118.63 3a15 h GLU 290 Ca 0.14 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3a15 h GLU 290 Cb 0.27 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3a15 h GLU 290 CO -0.00 0.25 0.30 0.00 -1.00 0.00 0.00 179.01 178.56 3a15 h ARG 291 N 0.39 0.79 -0.00 2.33 2.47 -0.66 -1.54 114.38 118.16 3a15 h ARG 291 Ca 0.21 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3a15 h ARG 291 Cb 0.17 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3a15 h ARG 291 CO -0.18 0.62 0.00 2.35 0.56 0.00 0.00 179.97 183.32 3a15 h TRP 292 N 0.76 0.00 -0.39 3.04 7.01 -1.13 -1.17 115.95 124.07 3a15 h TRP 292 Ca 0.20 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.14 3a15 h TRP 292 Cb 0.06 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3a15 h TRP 292 CO -0.01 0.01 0.02 0.66 -2.79 0.00 0.00 178.44 176.33 3a15 h SER 293 N 0.00 0.57 0.23 2.65 4.64 -1.12 -0.96 113.55 119.56 3a15 h SER 293 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3a15 h SER 293 Cb 0.00 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3a15 h SER 293 CO -0.00 0.63 -1.11 -1.84 -0.87 0.00 0.00 176.83 173.64 3a15 n GLU 294 N -4.27 0.22 0.00 4.77 0.28 -0.60 -4.30 120.64 116.74 3a15 n GLU 294 Ca 0.02 -0.03 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 3a15 n GLU 294 Cb 0.25 -1.54 0.00 0.00 1.43 0.00 0.00 31.44 31.58 3a15 n GLU 294 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3a15 n SER 295 N -1.81 0.05 -4.77 -1.84 3.41 -0.45 -4.97 113.62 103.24 3a15 n SER 295 Ca 0.02 -0.35 -0.39 0.00 -0.26 0.00 0.00 58.87 57.89 3a15 n SER 295 Cb 0.41 0.13 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 3a15 n SER 295 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3a15 s HIS 296 N -0.13 3.79 0.56 7.33 2.46 -0.37 -4.95 115.29 123.98 3a15 s HIS 296 Ca 0.00 1.45 0.30 0.00 0.47 0.00 0.00 55.06 57.27 3a15 s HIS 296 Cb 0.00 -2.72 1.77 0.00 -0.13 0.00 0.00 32.58 31.50 3a15 s HIS 296 CO 0.00 0.40 2.23 -1.00 -2.47 0.00 0.00 174.74 173.90 3a15 h PRO 297 N 5.11 0.00 0.36 2.88 0.13 -1.97 -1.99 132.00 136.52 3a15 h PRO 297 Ca -0.46 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3a15 h PRO 297 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3a15 h PRO 297 CO 0.68 0.02 -0.18 1.79 -0.23 0.00 0.00 178.00 180.09 3a15 h THR 298 N 0.00 0.63 -0.28 1.56 1.35 -1.92 0.09 112.91 114.34 3a15 h THR 298 Ca -0.00 -0.43 -0.12 0.00 -0.55 0.00 0.00 66.41 65.31 3a15 h THR 298 Cb 0.06 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 3a15 h THR 298 CO 0.00 0.08 -0.34 -0.74 -0.25 0.00 0.00 175.52 174.28 3a15 h HIS 299 N -0.74 0.71 -0.40 4.73 -0.00 -1.78 -1.82 115.15 115.85 3a15 h HIS 299 Ca -0.05 -0.19 -0.03 0.00 -0.00 0.00 0.00 60.37 60.10 3a15 h HIS 299 Cb 0.51 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 3a15 h HIS 299 CO 0.01 0.87 0.13 -0.07 -0.00 0.00 0.00 177.93 178.86 3a15 h LEU 300 N 0.52 0.53 -0.57 0.26 3.38 -1.35 0.68 115.31 118.75 3a15 h LEU 300 Ca 0.06 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3a15 h LEU 300 Cb 0.83 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3a15 h LEU 300 CO 0.07 0.51 -0.07 -0.09 0.09 0.00 0.00 178.44 178.96 3a15 h ARG 301 N 0.57 1.06 -0.00 1.13 2.43 -0.62 -0.37 114.38 118.58 3a15 h ARG 301 Ca 0.14 -0.37 0.01 0.00 -0.81 0.00 0.00 59.98 58.95 3a15 h ARG 301 Cb 0.18 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3a15 h ARG 301 CO -0.01 1.07 -0.05 0.82 -1.51 0.00 0.00 179.97 180.29 3a15 h ILE 302 N 0.95 0.87 0.20 1.20 2.04 -0.71 -0.95 117.51 121.10 3a15 h ILE 302 Ca 0.15 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3a15 h ILE 302 Cb 0.64 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3a15 h ILE 302 CO 0.04 0.00 -0.30 0.15 0.00 0.00 0.00 178.15 178.04 3a15 h PHE 303 N -0.09 -0.81 -0.53 1.37 3.57 -0.72 -1.02 116.94 118.71 3a15 h PHE 303 Ca 0.02 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3a15 h PHE 303 Cb 0.12 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3a15 h PHE 303 CO -0.12 -0.42 0.02 1.79 -2.23 0.00 0.00 178.31 177.35 3a15 h THR 304 N -0.57 1.25 -0.62 4.41 1.35 -1.06 -2.27 112.91 115.40 3a15 h THR 304 Ca 0.01 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.79 3a15 h THR 304 Cb 0.56 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 3a15 h THR 304 CO -0.13 0.37 0.17 0.74 -0.25 0.00 0.00 175.52 176.42 3a15 h THR 305 N 0.82 1.25 -0.20 6.82 2.02 -1.04 -0.90 112.91 121.68 3a15 h THR 305 Ca 0.16 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3a15 h THR 305 Cb 0.46 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3a15 h THR 305 CO 0.02 0.33 -0.02 0.15 0.37 0.00 0.00 175.52 176.37 3a15 h PHE 306 N 0.90 -0.06 0.00 3.16 3.57 -0.91 -2.06 116.94 121.54 3a15 h PHE 306 Ca 0.20 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3a15 h PHE 306 Cb 0.33 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3a15 h PHE 306 CO 0.02 -0.06 -0.40 0.74 -2.23 0.00 0.00 178.31 176.38 3a15 h PHE 307 N 0.03 0.00 -0.87 0.41 0.04 -1.15 0.60 116.94 116.01 3a15 h PHE 307 Ca 0.10 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.84 3a15 h PHE 307 Cb 0.14 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.24 3a15 h PHE 307 CO -0.20 0.40 0.44 -0.09 -0.60 0.00 0.00 178.31 178.27 3a15 h ARG 308 N 0.00 1.24 -0.01 1.51 2.43 -0.71 -3.23 114.38 115.61 3a15 h ARG 308 Ca -0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3a15 h ARG 308 Cb 0.73 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3a15 h ARG 308 CO 0.05 0.94 -0.66 1.33 -1.51 0.00 0.00 179.97 180.12 3a15 n VAL 309 N -4.31 0.00 -0.20 0.20 0.24 -0.82 -4.69 118.33 108.76 3a15 n VAL 309 Ca 0.09 -0.17 0.25 0.00 -2.04 0.00 0.00 64.34 62.47 3a15 n VAL 309 Cb 0.12 1.12 0.64 0.00 -1.47 0.00 0.00 33.84 34.26 3a15 n VAL 309 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a15 h ALA 310 N 3.08 2.59 0.00 2.33 0.00 -0.91 -1.47 119.26 124.89 3a15 h ALA 310 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a15 h ALA 310 Cb 0.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3a15 h ALA 310 CO 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 179.25 178.36 3a15 h ALA 311 N 1.58 1.04 -0.13 0.00 0.00 -1.83 -1.60 119.26 118.32 3a15 h ALA 311 Ca 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3a15 h ALA 311 Cb 1.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3a15 h ALA 311 CO -0.08 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3a15 n GLY 312 N -0.41 0.61 3.93 0.00 0.00 -0.55 -4.95 105.19 103.81 3a15 n GLY 312 Ca -0.01 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 3a15 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a15 s LEU 313 N -1.78 4.04 0.00 0.99 1.43 -0.60 -4.71 118.68 118.05 3a15 s LEU 313 Ca 0.34 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.98 3a15 s LEU 313 Cb 0.20 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 43.04 3a15 s LEU 313 CO 0.30 -0.25 0.00 -1.54 0.23 0.00 0.00 176.35 175.10 3a15 n SER 314 N -1.42 0.00 0.05 2.29 3.41 -1.26 -4.97 113.62 111.72 3a15 n SER 314 Ca -0.04 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.69 3a15 n SER 314 Cb 0.55 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.68 3a15 n SER 314 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a15 n LYS 315 N -1.82 0.48 -1.83 4.33 4.76 -1.26 -4.94 118.16 117.87 3a15 n LYS 315 Ca 0.00 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.04 3a15 n LYS 315 Cb 0.00 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 31.50 3a15 n LYS 315 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3a15 s LEU 316 N -4.59 4.35 -0.26 -0.35 2.96 -1.26 -4.66 118.68 114.86 3a15 s LEU 316 Ca 0.00 2.89 -0.02 0.00 -0.22 0.00 0.00 54.13 56.78 3a15 s LEU 316 Cb 0.12 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.21 3a15 s LEU 316 CO 0.81 -0.87 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.81 3a15 s ARG 317 N -0.51 2.84 -0.01 1.98 0.52 -0.21 -4.99 118.95 118.56 3a15 s ARG 317 Ca 0.62 -0.98 0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3a15 s ARG 317 Cb -0.46 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 31.93 3a15 s ARG 317 CO 0.47 -0.42 -0.24 -0.51 0.02 0.00 0.00 175.30 174.62 3a15 s LEU 318 N 1.34 2.05 0.21 2.53 1.43 -1.26 -0.73 118.68 124.25 3a15 s LEU 318 Ca 0.00 -0.44 -0.23 0.00 -1.03 0.00 0.00 54.13 52.44 3a15 s LEU 318 Cb -0.17 -1.23 0.05 0.00 0.03 0.00 0.00 46.19 44.87 3a15 s LEU 318 CO -0.03 0.29 0.70 -0.72 0.23 0.00 0.00 176.35 176.82 3a15 s TYR 319 N -0.58 -0.33 0.15 0.29 1.13 -1.08 -1.53 117.35 115.39 3a15 s TYR 319 Ca 0.09 0.00 -0.09 0.00 -1.41 0.00 0.00 57.07 55.67 3a15 s TYR 319 Cb -0.09 0.64 -0.01 0.00 -1.10 0.00 0.00 41.96 41.40 3a15 s TYR 319 CO -0.01 -1.01 0.26 -3.38 -2.51 0.00 0.00 175.55 168.90 3a15 s HIS 320 N -3.76 0.35 -0.01 -3.49 -3.43 0.13 -0.76 115.29 104.31 3a15 s HIS 320 Ca 0.07 -0.73 0.02 0.00 -0.80 0.00 0.00 55.06 53.62 3a15 s HIS 320 Cb -0.03 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 3a15 s HIS 320 CO -0.02 -0.68 -0.06 -1.83 -2.00 0.00 0.00 174.74 170.15 3a15 s GLU 321 N -3.94 0.63 -0.01 -0.38 -1.05 -0.06 -1.09 118.70 112.80 3a15 s GLU 321 Ca 0.14 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.77 3a15 s GLU 321 Cb 0.04 -0.62 -0.00 0.00 -0.44 0.00 0.00 34.13 33.11 3a15 s GLU 321 CO -0.03 0.09 -0.06 0.08 0.95 0.00 0.00 175.26 176.30 3a15 s VAL 322 N 0.11 0.51 0.06 1.83 1.01 -0.51 -1.06 120.40 122.35 3a15 s VAL 322 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.76 3a15 s VAL 322 Cb -0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 3a15 s VAL 322 CO -0.00 0.16 -0.10 -0.44 0.00 0.00 0.00 175.10 174.72 3a15 s SER 323 N 0.04 1.17 0.22 3.32 0.01 -0.29 -1.13 113.70 117.04 3a15 s SER 323 Ca -0.00 -0.65 0.10 0.00 1.31 0.00 0.00 55.95 56.70 3a15 s SER 323 Cb -0.05 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 3a15 s SER 323 CO -0.00 -0.21 -0.18 0.68 0.41 0.00 0.00 173.24 173.94 3a15 s VAL 324 N -1.76 2.04 0.00 3.43 -7.23 0.09 -0.97 120.40 116.01 3a15 s VAL 324 Ca -0.03 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 57.90 3a15 s VAL 324 Cb -0.07 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.77 3a15 s VAL 324 CO 0.00 -0.44 0.07 -0.36 -0.31 0.00 0.00 175.10 174.06 3a15 s PHE 325 N -2.52 0.11 0.69 2.82 0.08 -1.09 -4.55 117.98 113.51 3a15 s PHE 325 Ca 0.23 -0.23 -0.15 0.00 0.12 0.00 0.00 56.93 56.90 3a15 s PHE 325 Cb -0.04 -0.09 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 3a15 s PHE 325 CO 0.10 -0.22 1.15 -0.51 -0.10 0.00 0.00 175.22 175.64 3a15 s ASP 326 N -1.21 4.73 0.30 1.36 1.01 -1.26 -0.29 116.67 121.31 3a15 s ASP 326 Ca -0.13 2.16 0.06 0.00 0.71 0.00 0.00 52.55 55.34 3a15 s ASP 326 Cb -0.08 -2.57 0.73 0.00 1.01 0.00 0.00 42.92 42.02 3a15 s ASP 326 CO 0.00 -1.89 1.77 0.00 0.21 0.00 0.00 175.17 175.26 3a15 h ALA 327 N -0.08 1.65 0.00 5.23 0.00 -1.85 -1.44 119.26 122.76 3a15 h ALA 327 Ca -0.47 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a15 h ALA 327 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a15 h ALA 327 CO 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3a15 h ALA 328 N 1.64 1.00 -0.67 0.00 0.00 -1.92 -3.12 119.26 116.19 3a15 h ALA 328 Ca 0.58 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.24 3a15 h ALA 328 Cb 0.89 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 3a15 h ALA 328 CO -0.38 0.00 0.31 -0.25 0.00 0.00 0.00 179.25 178.93 3a15 n ASP 329 N -3.06 4.14 -3.96 0.00 8.00 -0.54 -4.88 116.55 116.26 3a15 n ASP 329 Ca 0.01 -3.08 -0.15 0.00 0.71 0.00 0.00 54.79 52.28 3a15 n ASP 329 Cb 0.34 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 3a15 n ASP 329 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a15 s GLN 330 N -2.59 0.39 -0.04 -1.24 -0.21 -1.18 -1.05 119.66 113.74 3a15 s GLN 330 Ca 0.46 -0.22 -0.02 0.00 0.02 0.00 0.00 55.36 55.60 3a15 s GLN 330 Cb 0.37 -0.35 0.03 0.00 1.00 0.00 0.00 33.01 34.06 3a15 s GLN 330 CO 0.11 0.09 0.05 -1.17 -2.12 0.00 0.00 175.29 172.25 3a15 s LEU 331 N -0.24 0.37 -0.24 2.90 0.20 -0.13 -4.61 118.68 116.93 3a15 s LEU 331 Ca 0.01 0.07 0.00 0.00 0.69 0.00 0.00 54.13 54.90 3a15 s LEU 331 Cb -0.03 -0.12 0.06 0.00 -0.43 0.00 0.00 46.19 45.68 3a15 s LEU 331 CO -0.00 -0.22 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.51 3a15 s TYR 332 N 1.90 2.12 -0.04 5.38 2.02 -1.19 -0.68 117.35 126.86 3a15 s TYR 332 Ca 0.01 -1.62 0.05 0.00 -0.37 0.00 0.00 57.07 55.15 3a15 s TYR 332 Cb -0.12 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.90 3a15 s TYR 332 CO -0.03 -0.75 -0.20 -1.21 -1.57 0.00 0.00 175.55 171.79 3a15 s GLU 333 N 1.49 1.87 0.02 -0.62 2.02 0.09 -0.82 118.70 122.74 3a15 s GLU 333 Ca -0.03 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.30 3a15 s GLU 333 Cb -0.18 -1.67 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3a15 s GLU 333 CO -0.08 0.33 -0.13 0.71 0.02 0.00 0.00 175.26 176.11 3a15 s TYR 334 N -0.17 1.15 -0.16 1.61 1.51 0.41 -1.17 117.35 120.53 3a15 s TYR 334 Ca 0.00 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3a15 s TYR 334 Cb -0.11 -0.71 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 3a15 s TYR 334 CO 0.01 0.01 -0.04 0.42 -1.11 0.00 0.00 175.55 174.84 3a15 s ILE 335 N -0.59 0.98 -1.46 2.71 1.01 0.87 -0.80 121.20 123.92 3a15 s ILE 335 Ca 0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.03 3a15 s ILE 335 Cb -0.06 -1.19 0.05 0.00 0.01 0.00 0.00 42.46 41.26 3a15 s ILE 335 CO 0.00 0.10 0.77 0.59 0.00 0.00 0.00 174.94 176.40 3a15 n ASN 336 N 4.92 -5.22 -4.89 3.58 3.02 -0.18 -0.90 115.26 115.59 3a15 n ASN 336 Ca -0.11 -0.48 -0.30 0.00 -0.03 0.00 0.00 54.58 53.65 3a15 n ASN 336 Cb 0.48 -4.20 -0.04 0.00 -0.61 0.00 0.00 39.78 35.41 3a15 n ASN 336 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a15 s HIS 338 N -1.92 2.37 -0.34 0.00 -3.43 -1.26 -4.79 115.29 105.92 3a15 s HIS 338 Ca 0.45 1.57 0.20 0.00 -0.80 0.00 0.00 55.06 56.49 3a15 s HIS 338 Cb -0.11 -3.31 1.02 0.00 -1.43 0.00 0.00 32.58 28.75 3a15 s HIS 338 CO 0.25 -2.08 1.61 -2.30 -2.00 0.00 0.00 174.74 170.22 3a15 n PRO 339 N -2.45 0.14 -0.15 -0.38 -0.02 -1.26 -1.79 135.00 129.08 3a15 n PRO 339 Ca 0.12 0.57 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3a15 n PRO 339 Cb 0.51 -1.89 0.28 0.00 -0.02 0.00 0.00 33.50 32.38 3a15 n PRO 339 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a15 n GLY 340 N -1.00 0.88 3.67 -1.23 0.00 -1.26 -3.14 105.19 103.11 3a15 n GLY 340 Ca -0.00 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3a15 n GLY 340 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a15 s THR 341 N -1.60 4.32 0.00 2.61 2.01 -0.74 -4.46 115.64 117.79 3a15 s THR 341 Ca 0.33 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.94 3a15 s THR 341 Cb 0.18 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.65 3a15 s THR 341 CO 0.26 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 3a15 n GLY 342 N 3.51 3.15 0.00 4.40 0.00 -1.26 -1.29 105.19 113.69 3a15 n GLY 342 Ca 0.13 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3a15 n GLY 342 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3a15 n MET 343 N 14.00 0.34 0.19 1.61 2.81 -1.26 -3.08 117.12 131.72 3a15 n MET 343 Ca 0.00 0.07 0.03 0.00 -1.81 0.00 0.00 57.70 55.99 3a15 n MET 343 Cb 0.00 -1.50 0.36 0.00 -0.71 0.00 0.00 33.22 31.37 3a15 n MET 343 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3a15 h LEU 344 N 0.00 0.00 -0.18 4.03 3.38 -1.46 -2.93 115.31 118.15 3a15 h LEU 344 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a15 h LEU 344 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3a15 h LEU 344 CO 0.00 0.39 0.07 -0.09 0.09 0.00 0.00 178.44 178.89 3a15 h ARG 345 N 0.00 0.27 0.00 1.13 2.43 -1.49 -3.32 114.38 113.40 3a15 h ARG 345 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a15 h ARG 345 Cb 0.73 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3a15 h ARG 345 CO 0.05 0.36 -0.76 -0.25 -1.51 0.00 0.00 179.97 177.85 3a15 n ASP 346 N -4.84 0.75 -4.75 -3.80 8.00 -1.25 -4.99 116.55 105.67 3a15 n ASP 346 Ca -0.04 -0.84 -0.41 0.00 0.71 0.00 0.00 54.79 54.21 3a15 n ASP 346 Cb 0.13 1.02 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 3a15 n ASP 346 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a15 n ALA 347 N -1.39 2.02 -2.86 2.24 0.00 -1.11 -4.93 120.51 114.48 3a15 n ALA 347 Ca 0.03 0.31 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3a15 n ALA 347 Cb 0.25 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.28 3a15 n ALA 347 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3a15 s VAL 348 N -1.14 5.36 0.79 0.00 -7.23 0.03 -4.76 120.40 113.45 3a15 s VAL 348 Ca 0.56 -0.22 -0.12 0.00 -1.81 0.00 0.00 61.98 60.40 3a15 s VAL 348 Cb -0.49 -3.60 0.06 0.00 0.56 0.00 0.00 36.38 32.92 3a15 s VAL 348 CO 0.61 0.19 1.11 0.42 -0.31 0.00 0.00 175.10 177.13 3a15 s THR 349 N -1.47 2.90 0.46 5.32 -4.23 -1.26 -0.54 115.64 116.82 3a15 s THR 349 Ca 0.33 0.29 0.19 0.00 -1.18 0.00 0.00 61.69 61.33 3a15 s THR 349 Cb -0.13 -3.15 0.38 0.00 1.34 0.00 0.00 72.50 70.95 3a15 s THR 349 CO 0.24 -0.38 1.92 -0.29 -0.54 0.00 0.00 174.62 175.58 3a15 h ILE 350 N -1.01 0.74 -0.02 2.99 6.09 -1.95 -1.35 117.51 123.01 3a15 h ILE 350 Ca -0.47 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 62.92 3a15 h ILE 350 Cb 1.28 0.43 0.00 0.00 0.47 0.00 0.00 36.82 39.00 3a15 h ILE 350 CO 0.62 0.05 -0.07 0.00 -3.07 0.00 0.00 178.15 175.68 3a15 n ALA 351 N -2.56 2.71 0.77 0.18 0.00 -1.26 -4.00 120.51 116.34 3a15 n ALA 351 Ca 0.14 -0.49 0.12 0.00 0.00 0.00 0.00 53.44 53.22 3a15 n ALA 351 Cb 0.61 -1.08 0.24 0.00 0.00 0.00 0.00 19.45 19.22 3a15 n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a15 n GLU 352 N 0.19 2.25 0.00 0.00 1.02 -0.51 -5.25 120.64 118.34 3a15 n GLU 352 Ca 0.16 -1.86 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 3a15 n GLU 352 Cb 0.40 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 3a15 n GLU 352 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92