#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b41 h ALA 6 N 0.00 0.64 -0.00 2.24 0.00 -2.04 -3.27 119.26 116.83 1b41 h ALA 6 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1b41 h ALA 6 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b41 h ALA 6 CO 0.00 0.56 -0.22 0.39 0.00 0.00 0.00 179.25 179.98 1b41 n GLU 7 N -2.92 0.25 -0.04 0.00 1.02 -1.26 -3.42 120.64 114.27 1b41 n GLU 7 Ca -0.04 -0.09 0.11 0.00 -0.02 0.00 0.00 57.16 57.12 1b41 n GLU 7 Cb 0.72 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 31.13 1b41 n GLU 7 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1b41 n LEU 8 N -1.29 1.01 -4.24 -4.62 4.77 -1.23 -4.69 117.00 106.71 1b41 n LEU 8 Ca 0.09 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.32 1b41 n LEU 8 Cb 0.32 -0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 1b41 n LEU 8 CO 0.29 0.20 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.35 1b41 s LEU 9 N -1.65 2.60 0.01 2.23 2.01 -1.22 0.26 118.68 122.92 1b41 s LEU 9 Ca 0.33 -0.49 -0.01 0.00 0.01 0.00 0.00 54.13 53.97 1b41 s LEU 9 Cb 0.17 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.72 1b41 s LEU 9 CO 0.26 -0.01 0.01 -0.69 1.01 0.00 0.00 176.35 176.93 1b41 s VAL 10 N 1.38 0.08 -0.11 -1.59 1.01 -0.84 -4.99 120.40 115.34 1b41 s VAL 10 Ca 0.05 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1b41 s VAL 10 Cb -0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1b41 s VAL 10 CO -0.07 -0.38 -0.15 -0.89 0.00 0.00 0.00 175.10 173.61 1b41 s THR 11 N -1.15 2.91 0.35 3.92 2.01 -1.26 -0.37 115.64 122.04 1b41 s THR 11 Ca -0.13 -0.73 0.09 0.00 0.31 0.00 0.00 61.69 61.24 1b41 s THR 11 Cb -0.08 -2.19 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 1b41 s THR 11 CO -0.00 0.54 -0.07 0.68 -0.69 0.00 0.00 174.62 175.08 1b41 s VAL 12 N 0.18 2.25 0.50 3.82 -7.23 0.12 -4.89 120.40 115.14 1b41 s VAL 12 Ca -0.09 -2.14 0.39 0.00 -1.81 0.00 0.00 61.98 58.33 1b41 s VAL 12 Cb -0.15 -2.72 0.60 0.00 0.56 0.00 0.00 36.38 34.66 1b41 s VAL 12 CO 0.05 -0.17 1.61 -0.09 -0.31 0.00 0.00 175.10 176.20 1b41 h ARG 13 N 1.95 0.03 -0.01 4.82 9.65 -1.96 0.17 114.38 129.03 1b41 h ARG 13 Ca -0.42 -0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.28 1b41 h ARG 13 Cb 1.25 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.84 1b41 h ARG 13 CO 0.72 0.02 -0.69 0.78 2.80 0.00 0.00 179.97 183.60 1b41 h GLY 14 N 0.03 0.54 0.00 2.80 0.00 -1.94 -3.47 103.07 101.03 1b41 h GLY 14 Ca 0.86 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1b41 h GLY 14 CO -0.23 0.82 0.00 0.61 0.00 0.00 0.00 176.54 177.74 1b41 n GLY 15 N 1.04 -0.54 3.83 4.60 0.00 0.58 -1.94 105.19 112.77 1b41 n GLY 15 Ca -0.10 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 1b41 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b41 s ARG 16 N -1.25 4.07 0.07 1.61 0.52 -1.24 -0.71 118.95 122.02 1b41 s ARG 16 Ca 0.00 0.59 0.06 0.00 -0.52 0.00 0.00 55.73 55.86 1b41 s ARG 16 Cb 0.00 -3.03 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1b41 s ARG 16 CO 0.00 0.53 -0.16 -0.51 0.02 0.00 0.00 175.30 175.18 1b41 s LEU 17 N -1.67 2.25 -0.20 2.53 1.43 0.50 -0.56 118.68 122.96 1b41 s LEU 17 Ca 0.35 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1b41 s LEU 17 Cb -0.17 -0.66 0.05 0.00 0.03 0.00 0.00 46.19 45.44 1b41 s LEU 17 CO 0.19 0.00 -0.07 -0.60 0.23 0.00 0.00 176.35 176.11 1b41 s ARG 18 N -1.58 1.65 0.00 1.70 3.00 -0.82 -1.98 118.95 120.92 1b41 s ARG 18 Ca 0.02 -0.75 0.00 0.00 -1.00 0.00 0.00 55.73 53.99 1b41 s ARG 18 Cb -0.09 -2.31 0.00 0.00 0.00 0.00 0.00 34.95 32.54 1b41 s ARG 18 CO 0.02 -0.49 0.00 0.41 0.00 0.00 0.00 175.30 175.25 1b41 n GLY 19 N 4.76 1.76 3.34 8.12 0.00 0.14 -1.22 105.19 122.10 1b41 n GLY 19 Ca -0.13 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 1b41 n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1b41 s ILE 20 N 2.53 0.03 0.02 -0.61 -4.36 -0.67 -4.70 121.20 113.44 1b41 s ILE 20 Ca 0.00 -0.28 -0.09 0.00 -0.26 0.00 0.00 60.65 60.01 1b41 s ILE 20 Cb 0.00 -0.74 -0.05 0.00 1.25 0.00 0.00 42.46 42.92 1b41 s ILE 20 CO 0.00 -0.16 0.34 0.00 0.24 0.00 0.00 174.94 175.36 1b41 s ARG 21 N -1.14 3.71 -0.07 0.37 1.70 -1.26 -1.13 118.95 121.13 1b41 s ARG 21 Ca -0.12 0.11 0.02 0.00 -0.47 0.00 0.00 55.73 55.28 1b41 s ARG 21 Cb -0.03 -3.08 -0.02 0.00 -0.57 0.00 0.00 34.95 31.24 1b41 s ARG 21 CO 0.06 0.63 -0.13 -0.51 -1.08 0.00 0.00 175.30 174.27 1b41 s LEU 22 N -1.63 2.81 0.44 -1.89 1.43 0.18 -4.89 118.68 115.14 1b41 s LEU 22 Ca 0.28 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1b41 s LEU 22 Cb -0.14 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.40 1b41 s LEU 22 CO 0.15 0.31 1.03 -0.54 0.23 0.00 0.00 176.35 177.53 1b41 s LYS 23 N -0.50 4.01 -0.07 1.70 1.02 -1.26 -1.32 119.74 123.32 1b41 s LYS 23 Ca 0.07 1.40 -0.14 0.00 0.02 0.00 0.00 55.97 57.31 1b41 s LYS 23 Cb -0.12 -2.30 0.03 0.00 -0.52 0.00 0.00 37.83 34.92 1b41 s LYS 23 CO 0.02 -0.26 0.35 0.99 -0.92 0.00 0.00 175.35 175.53 1b41 s THR 24 N -1.86 0.03 -1.32 2.17 2.01 -1.19 -4.93 115.64 110.54 1b41 s THR 24 Ca 0.63 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1b41 s THR 24 Cb -0.18 -0.58 0.00 0.00 0.01 0.00 0.00 72.50 71.75 1b41 s THR 24 CO 0.22 -0.13 0.56 -2.65 -0.69 0.00 0.00 174.62 171.93 1b41 n PRO 25 N 2.01 0.00 0.00 4.92 -0.02 -1.26 -1.25 135.00 139.40 1b41 n PRO 25 Ca -0.18 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1b41 n PRO 25 Cb 0.57 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1b41 n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b41 n GLY 26 N -1.06 0.55 0.00 -1.23 0.00 -1.26 -5.13 105.19 97.06 1b41 n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b41 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b41 n GLY 27 N 1.32 3.47 3.77 -0.02 0.00 -0.38 -5.11 105.19 108.24 1b41 n GLY 27 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.56 1b41 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b41 s PRO 28 N -2.32 2.16 -0.00 1.61 0.04 -1.26 -3.18 135.00 132.04 1b41 s PRO 28 Ca 0.00 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.03 1b41 s PRO 28 Cb 0.00 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1b41 s PRO 28 CO 0.00 -1.66 0.02 0.08 0.04 0.00 0.00 177.00 175.47 1b41 s VAL 29 N -2.96 0.04 -0.16 -0.36 1.01 -0.44 -4.15 120.40 113.37 1b41 s VAL 29 Ca 0.61 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.11 1b41 s VAL 29 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1b41 s VAL 29 CO 0.56 -0.17 0.46 -0.44 0.00 0.00 0.00 175.10 175.51 1b41 s SER 30 N -0.50 6.58 0.03 3.32 0.01 -0.62 0.52 113.70 123.04 1b41 s SER 30 Ca -0.06 0.69 0.06 0.00 1.31 0.00 0.00 55.95 57.95 1b41 s SER 30 Cb -0.03 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 1b41 s SER 30 CO -0.00 -0.05 -0.18 0.00 0.41 0.00 0.00 173.24 173.42 1b41 s ALA 31 N 1.02 1.48 -0.26 1.44 0.00 -0.28 -0.69 121.76 124.47 1b41 s ALA 31 Ca 0.23 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.29 1b41 s ALA 31 Cb -0.15 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.75 1b41 s ALA 31 CO 0.09 0.32 0.01 -0.06 0.00 0.00 0.00 175.76 176.13 1b41 s PHE 32 N -0.72 2.19 -0.11 0.00 0.40 0.16 -1.68 117.98 118.22 1b41 s PHE 32 Ca 0.05 -1.77 -0.03 0.00 -0.60 0.00 0.00 56.93 54.58 1b41 s PHE 32 Cb -0.08 -1.70 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1b41 s PHE 32 CO 0.01 -0.80 -0.01 -0.51 0.70 0.00 0.00 175.22 174.61 1b41 s LEU 33 N 1.46 3.47 0.00 -0.37 1.43 -0.52 -1.21 118.68 122.94 1b41 s LEU 33 Ca 0.01 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1b41 s LEU 33 Cb -0.18 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1b41 s LEU 33 CO -0.11 0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.37 1b41 n GLY 34 N 2.69 0.82 3.66 -3.19 0.00 -1.06 -3.78 105.19 104.33 1b41 n GLY 34 Ca -0.18 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1b41 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b41 s ILE 35 N -2.39 4.48 -0.04 -0.61 1.01 -0.36 -4.77 121.20 118.53 1b41 s ILE 35 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 60.65 62.14 1b41 s ILE 35 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1b41 s ILE 35 CO 0.00 -0.17 1.56 -2.16 0.00 0.00 0.00 174.94 174.17 1b41 s PRO 36 N 3.36 4.21 0.00 2.79 0.04 -1.26 -1.20 135.00 142.95 1b41 s PRO 36 Ca 0.49 2.10 0.08 0.00 0.04 0.00 0.00 61.00 63.72 1b41 s PRO 36 Cb -0.18 -3.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 1b41 s PRO 36 CO 0.10 -0.76 0.52 1.97 0.04 0.00 0.00 177.00 178.88 1b41 n PHE 37 N 6.51 0.00 -3.92 0.56 1.16 -1.17 -4.82 117.46 115.78 1b41 n PHE 37 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.65 1b41 n PHE 37 Cb 0.43 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.21 1b41 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1b41 s ALA 38 N -1.29 -0.07 0.05 1.98 0.00 -1.25 -2.53 121.76 118.65 1b41 s ALA 38 Ca 0.06 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 1b41 s ALA 38 Cb 0.06 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 1b41 s ALA 38 CO 0.23 -0.42 1.16 -1.21 0.00 0.00 0.00 175.76 175.52 1b41 s GLU 39 N -3.39 4.46 0.02 0.00 0.41 0.21 -4.48 118.70 115.93 1b41 s GLU 39 Ca 0.02 1.71 -0.37 0.00 -0.41 0.00 0.00 54.97 55.91 1b41 s GLU 39 Cb 0.03 -3.36 -0.16 0.00 -1.78 0.00 0.00 34.13 28.85 1b41 s GLU 39 CO -0.08 -0.22 1.42 -0.35 -0.49 0.00 0.00 175.26 175.54 1b41 n PRO 40 N 3.89 1.16 -0.80 0.39 -0.04 -1.26 -4.60 135.00 133.74 1b41 n PRO 40 Ca 0.08 0.42 -0.10 0.00 -0.04 0.00 0.00 63.50 63.86 1b41 n PRO 40 Cb 0.47 -2.07 -0.13 0.00 -0.04 0.00 0.00 33.50 31.73 1b41 n PRO 40 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1b41 n PRO 41 N 3.07 1.61 -2.50 0.54 -0.02 -1.26 -4.89 135.00 131.55 1b41 n PRO 41 Ca 0.20 -0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 60.56 1b41 n PRO 41 Cb 0.18 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1b41 n PRO 41 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1b41 s MET 42 N 1.45 3.81 0.00 -0.52 -1.94 -1.26 -2.58 119.30 118.26 1b41 s MET 42 Ca 0.53 0.70 0.00 0.00 -1.71 0.00 0.00 55.69 55.21 1b41 s MET 42 Cb 0.25 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.86 1b41 s MET 42 CO -0.00 -0.23 0.00 0.41 -0.01 0.00 0.00 175.02 175.19 1b41 n GLY 43 N -1.70 1.16 0.48 -0.03 0.00 -1.26 0.43 105.19 104.27 1b41 n GLY 43 Ca 0.05 0.36 0.29 0.00 0.00 0.00 0.00 46.02 46.71 1b41 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b41 h PRO 44 N 0.00 0.00 0.00 1.61 0.13 -1.91 0.59 132.00 132.42 1b41 h PRO 44 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1b41 h PRO 44 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1b41 h PRO 44 CO 0.00 0.00 -0.54 0.00 -0.23 0.00 0.00 178.00 177.23 1b41 h ARG 45 N 0.00 0.00 -6.31 0.86 3.08 -0.27 -3.46 114.38 108.29 1b41 h ARG 45 Ca 0.41 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.80 1b41 h ARG 45 Cb 1.93 0.00 0.06 0.00 0.08 0.00 0.00 29.97 32.04 1b41 h ARG 45 CO -0.00 0.12 0.42 -2.13 -1.07 0.00 0.00 179.97 177.31 1b41 n ARG 46 N -2.97 1.22 0.00 0.04 0.63 0.20 -0.92 116.66 114.85 1b41 n ARG 46 Ca 0.01 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1b41 n ARG 46 Cb 0.61 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 31.47 1b41 n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1b41 n PHE 47 N 2.28 0.00 -3.23 -0.14 3.72 -1.26 -4.97 117.46 113.86 1b41 n PHE 47 Ca 0.17 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.28 1b41 n PHE 47 Cb 0.21 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1b41 n PHE 47 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1b41 s LEU 48 N 0.00 4.02 0.76 4.37 1.43 -0.10 -4.34 118.68 124.82 1b41 s LEU 48 Ca 0.00 0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 53.80 1b41 s LEU 48 Cb 0.00 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.56 1b41 s LEU 48 CO 0.00 -0.23 0.86 -2.65 0.23 0.00 0.00 176.35 174.56 1b41 n PRO 49 N -0.90 0.32 -2.50 1.29 -0.02 -1.26 -4.91 135.00 127.01 1b41 n PRO 49 Ca -0.00 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.30 1b41 n PRO 49 Cb 0.54 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1b41 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1b41 s PRO 50 N -3.38 3.79 -0.07 0.52 0.04 -1.26 -5.06 135.00 129.59 1b41 s PRO 50 Ca 0.70 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1b41 s PRO 50 Cb -0.32 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1b41 s PRO 50 CO 0.54 -0.43 -0.05 -1.21 0.04 0.00 0.00 177.00 175.89 1b41 s GLU 51 N -3.38 2.81 0.31 4.56 2.02 -1.26 -5.02 118.70 118.74 1b41 s GLU 51 Ca 0.66 -0.51 -0.28 0.00 0.02 0.00 0.00 54.97 54.85 1b41 s GLU 51 Cb -0.15 -2.65 -0.13 0.00 0.10 0.00 0.00 34.13 31.30 1b41 s GLU 51 CO 0.22 0.67 1.17 -2.30 0.02 0.00 0.00 175.26 175.04 1b41 n PRO 52 N 2.17 1.76 -1.93 0.39 -0.02 -1.26 -0.62 135.00 135.49 1b41 n PRO 52 Ca -0.18 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1b41 n PRO 52 Cb 0.53 -2.11 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 1b41 n PRO 52 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1b41 s LYS 53 N -1.61 4.20 0.52 -0.52 2.47 -1.05 -4.14 119.74 119.60 1b41 s LYS 53 Ca 0.58 2.34 -0.20 0.00 -1.56 0.00 0.00 55.97 57.13 1b41 s LYS 53 Cb -0.64 -3.58 -0.07 0.00 -1.46 0.00 0.00 37.83 32.09 1b41 s LYS 53 CO 0.60 -0.73 1.09 -0.65 0.16 0.00 0.00 175.35 175.82 1b41 s GLN 54 N 2.56 3.54 0.50 4.03 -0.21 -1.26 -4.90 119.66 123.92 1b41 s GLN 54 Ca 0.74 1.50 -0.22 0.00 0.02 0.00 0.00 55.36 57.40 1b41 s GLN 54 Cb -0.40 -2.04 -0.08 0.00 1.00 0.00 0.00 33.01 31.49 1b41 s GLN 54 CO 0.32 -0.67 1.00 -2.30 -2.12 0.00 0.00 175.29 171.52 1b41 n PRO 55 N -1.18 1.20 -4.37 2.91 -0.02 -1.26 -5.01 135.00 127.27 1b41 n PRO 55 Ca 0.11 0.44 -0.25 0.00 -2.02 0.00 0.00 63.50 61.77 1b41 n PRO 55 Cb 0.52 -2.12 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 1b41 n PRO 55 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1b41 s TRP 56 N -1.39 1.93 0.20 6.00 -2.14 -0.82 -5.05 118.94 117.68 1b41 s TRP 56 Ca 0.68 -0.40 -0.09 0.00 2.66 0.00 0.00 56.10 58.94 1b41 s TRP 56 Cb -0.49 -1.07 -0.07 0.00 -3.10 0.00 0.00 33.47 28.75 1b41 s TRP 56 CO 0.53 0.22 0.52 -1.54 -2.66 0.00 0.00 176.95 174.02 1b41 s SER 57 N -1.83 6.63 0.00 -2.66 1.04 -1.26 -4.55 113.70 111.07 1b41 s SER 57 Ca 0.08 0.89 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1b41 s SER 57 Cb -0.10 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1b41 s SER 57 CO 0.04 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1b41 n GLY 58 N 0.03 -2.08 3.51 7.32 0.00 -1.26 -4.87 105.19 107.82 1b41 n GLY 58 Ca -0.01 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1b41 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b41 s VAL 59 N -0.05 3.92 0.02 1.61 0.11 -1.26 -3.66 120.40 121.08 1b41 s VAL 59 Ca 0.00 -0.35 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 1b41 s VAL 59 Cb 0.00 -2.71 -0.06 0.00 -1.53 0.00 0.00 36.38 32.08 1b41 s VAL 59 CO 0.00 0.50 0.65 -0.69 -3.33 0.00 0.00 175.10 172.23 1b41 s VAL 60 N 0.29 4.83 -0.32 2.04 1.01 0.28 -4.93 120.40 123.60 1b41 s VAL 60 Ca -0.03 1.37 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1b41 s VAL 60 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.25 1b41 s VAL 60 CO 0.03 0.41 1.33 -0.62 0.00 0.00 0.00 175.10 176.25 1b41 s ASP 61 N -0.22 6.60 -0.45 3.32 2.15 -1.26 -1.95 116.67 124.86 1b41 s ASP 61 Ca 0.33 1.13 0.06 0.00 0.43 0.00 0.00 52.55 54.50 1b41 s ASP 61 Cb -0.19 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.30 1b41 s ASP 61 CO 0.19 -1.16 1.06 0.00 -0.17 0.00 0.00 175.17 175.09 1b41 n ALA 62 N 7.89 4.79 -0.09 3.66 0.00 -0.35 -4.73 120.51 131.68 1b41 n ALA 62 Ca 0.15 -4.27 -0.08 0.00 0.00 0.00 0.00 53.44 49.24 1b41 n ALA 62 Cb 0.47 -0.62 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 1b41 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1b41 n THR 63 N -0.39 1.19 -4.33 0.00 -2.24 -1.25 -1.44 114.28 105.84 1b41 n THR 63 Ca 0.35 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1b41 n THR 63 Cb 0.63 -0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 68.22 1b41 n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1b41 s THR 64 N -2.44 1.83 0.90 4.28 -1.32 -1.26 -4.76 115.64 112.87 1b41 s THR 64 Ca -0.09 -1.82 -0.11 0.00 -1.21 0.00 0.00 61.69 58.46 1b41 s THR 64 Cb 0.05 -1.79 0.13 0.00 -1.51 0.00 0.00 72.50 69.39 1b41 s THR 64 CO 0.72 -0.23 1.10 0.49 -2.21 0.00 0.00 174.62 174.49 1b41 n PHE 65 N 0.51 0.73 -3.14 9.09 3.72 -1.26 -4.09 117.46 123.02 1b41 n PHE 65 Ca -0.15 0.39 -0.21 0.00 -0.05 0.00 0.00 57.45 57.43 1b41 n PHE 65 Cb 0.56 -2.00 0.06 0.00 -0.94 0.00 0.00 39.48 37.16 1b41 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1b41 n GLN 66 N -3.90 0.60 -1.65 -1.08 1.13 -1.26 -4.88 117.38 106.35 1b41 n GLN 66 Ca 0.12 -3.24 -0.39 0.00 -1.94 0.00 0.00 57.00 51.56 1b41 n GLN 66 Cb 0.52 -0.18 0.04 0.00 0.11 0.00 0.00 30.24 30.74 1b41 n GLN 66 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1b41 n SER 67 N -2.26 1.38 -4.78 1.08 7.64 -1.26 -4.92 113.62 110.49 1b41 n SER 67 Ca 0.15 0.89 -0.39 0.00 1.01 0.00 0.00 58.87 60.52 1b41 n SER 67 Cb 0.62 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 1b41 n SER 67 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1b41 s VAL 68 N -1.41 4.54 0.28 0.44 1.01 -1.02 -4.72 120.40 119.51 1b41 s VAL 68 Ca 0.73 1.53 -0.30 0.00 0.00 0.00 0.00 61.98 63.94 1b41 s VAL 68 Cb -0.44 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 31.78 1b41 s VAL 68 CO 0.49 0.51 1.55 0.00 0.00 0.00 0.00 175.10 177.65 1b41 n TYR 70 N 2.23 1.39 -3.85 0.00 9.36 -1.00 -4.76 117.16 120.53 1b41 n TYR 70 Ca 0.08 0.87 -0.08 0.00 3.32 0.00 0.00 57.90 62.09 1b41 n TYR 70 Cb 0.38 -2.26 -0.03 0.00 -0.63 0.00 0.00 39.34 36.81 1b41 n TYR 70 CO 0.00 0.00 0.00 1.14 0.22 0.00 0.00 176.86 178.22 1b41 s GLN 71 N 1.48 1.69 0.35 2.98 -2.07 -1.26 -4.69 119.66 118.15 1b41 s GLN 71 Ca 0.94 -1.00 -0.26 0.00 -1.82 0.00 0.00 55.36 53.22 1b41 s GLN 71 Cb -1.20 0.58 -0.09 0.00 -1.09 0.00 0.00 33.01 31.20 1b41 s GLN 71 CO 0.62 -0.76 1.06 -0.47 -1.32 0.00 0.00 175.29 174.42 1b41 s TYR 72 N -3.92 3.39 -0.31 9.60 5.04 -1.26 -5.02 117.35 124.87 1b41 s TYR 72 Ca 0.12 1.67 -0.10 0.00 -2.44 0.00 0.00 57.07 56.33 1b41 s TYR 72 Cb -0.04 -3.17 -0.00 0.00 0.35 0.00 0.00 41.96 39.09 1b41 s TYR 72 CO 0.05 -0.56 0.15 0.08 -1.34 0.00 0.00 175.55 173.94 1b41 s VAL 73 N -1.48 4.58 -0.36 3.14 1.01 -1.26 -4.89 120.40 121.14 1b41 s VAL 73 Ca 0.53 -0.45 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 1b41 s VAL 73 Cb -0.25 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 1b41 s VAL 73 CO 0.32 0.05 1.87 -0.62 0.00 0.00 0.00 175.10 176.72 1b41 s ASP 74 N 1.61 5.71 -0.29 3.32 2.15 -1.26 -4.86 116.67 123.05 1b41 s ASP 74 Ca 0.04 1.21 0.09 0.00 0.43 0.00 0.00 52.55 54.32 1b41 s ASP 74 Cb -0.17 -2.52 0.50 0.00 -0.30 0.00 0.00 42.92 40.42 1b41 s ASP 74 CO 0.06 -1.87 1.44 0.35 -0.17 0.00 0.00 175.17 174.98 1b41 n THR 75 N 7.44 2.54 0.03 1.71 -2.24 -1.26 -4.80 114.28 117.70 1b41 n THR 75 Ca 0.24 -2.88 -0.11 0.00 -2.27 0.00 0.00 64.05 59.03 1b41 n THR 75 Cb 0.48 -0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1b41 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1b41 h LEU 76 N 1.05 -0.86 -7.16 3.22 5.85 -1.97 -3.32 115.31 112.12 1b41 h LEU 76 Ca 0.21 0.13 -0.65 0.00 0.84 0.00 0.00 57.88 58.41 1b41 h LEU 76 Cb 1.58 0.36 -0.40 0.00 0.37 0.00 0.00 40.66 42.58 1b41 h LEU 76 CO 0.38 -0.34 -0.41 -0.31 -0.34 0.00 0.00 178.44 177.42 1b41 s TYR 77 N -6.04 3.69 -0.08 1.25 2.02 -1.26 -5.08 117.35 111.86 1b41 s TYR 77 Ca -0.15 -3.25 -0.40 0.00 -0.37 0.00 0.00 57.07 52.90 1b41 s TYR 77 Cb 0.10 -2.89 -0.19 0.00 -0.40 0.00 0.00 41.96 38.58 1b41 s TYR 77 CO 0.66 -0.61 1.12 -2.30 -1.57 0.00 0.00 175.55 172.86 1b41 n PRO 78 N 2.07 0.00 -0.88 -1.71 -0.02 -1.25 0.01 135.00 133.21 1b41 n PRO 78 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1b41 n PRO 78 Cb 0.36 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1b41 n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b41 n GLY 79 N 1.86 0.63 3.81 -1.23 0.00 -1.26 -5.01 105.19 103.99 1b41 n GLY 79 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1b41 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1b41 s PHE 80 N -2.81 3.53 -0.09 1.61 5.36 0.10 -5.01 117.98 120.66 1b41 s PHE 80 Ca 0.00 1.53 -0.22 0.00 -0.96 0.00 0.00 56.93 57.28 1b41 s PHE 80 Cb 0.00 -2.75 -0.28 0.00 -0.34 0.00 0.00 43.02 39.64 1b41 s PHE 80 CO 0.00 0.14 0.75 1.49 -1.46 0.00 0.00 175.22 176.14 1b41 h GLU 81 N 2.75 0.20 0.00 10.12 4.81 -1.94 -2.35 114.58 128.16 1b41 h GLU 81 Ca -0.48 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.42 1b41 h GLU 81 Cb 1.19 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1b41 h GLU 81 CO 0.64 1.16 0.03 0.41 -0.73 0.00 0.00 179.01 180.52 1b41 n GLY 82 N 1.65 -0.81 0.08 1.92 0.00 -1.26 -1.48 105.19 105.29 1b41 n GLY 82 Ca -0.17 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1b41 n GLY 82 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b41 n THR 83 N -2.17 1.02 0.15 2.61 -1.04 -1.25 -4.63 114.28 108.98 1b41 n THR 83 Ca -0.01 -0.51 0.08 0.00 -2.04 0.00 0.00 64.05 61.57 1b41 n THR 83 Cb 0.06 -0.87 0.07 0.00 -1.82 0.00 0.00 70.33 67.76 1b41 n THR 83 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1b41 h GLU 84 N 0.00 0.00 0.00 -2.82 5.08 -0.88 -3.29 114.58 112.67 1b41 h GLU 84 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1b41 h GLU 84 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1b41 h GLU 84 CO -0.02 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 1b41 n MET 85 N -3.02 0.04 0.00 2.33 0.00 -0.55 -1.74 117.12 114.18 1b41 n MET 85 Ca 0.01 0.33 0.06 0.00 0.00 0.00 0.00 57.70 58.10 1b41 n MET 85 Cb 0.62 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 32.27 1b41 n MET 85 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1b41 n TRP 86 N -1.40 0.00 -1.74 3.17 7.02 -1.24 -4.80 117.44 118.45 1b41 n TRP 86 Ca 0.02 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.19 1b41 n TRP 86 Cb 0.05 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 28.98 1b41 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1b41 s ASN 87 N -2.19 5.65 0.14 -0.99 0.01 -0.71 -4.58 114.94 112.28 1b41 s ASN 87 Ca 0.05 1.61 -0.34 0.00 -0.71 0.00 0.00 52.86 53.47 1b41 s ASN 87 Cb 0.10 -2.50 -0.14 0.00 0.41 0.00 0.00 41.25 39.12 1b41 s ASN 87 CO 0.52 -1.26 1.58 -0.81 -1.51 0.00 0.00 177.10 175.62 1b41 n PRO 88 N -2.82 2.09 -1.40 -0.60 -0.04 -1.26 -4.89 135.00 126.08 1b41 n PRO 88 Ca 0.07 0.75 -0.16 0.00 -0.04 0.00 0.00 63.50 64.13 1b41 n PRO 88 Cb 0.54 -2.52 0.10 0.00 -0.04 0.00 0.00 33.50 31.58 1b41 n PRO 88 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1b41 n ASN 89 N 3.52 4.14 -3.49 3.54 6.94 -1.26 -4.96 115.26 123.70 1b41 n ASN 89 Ca 0.17 -3.79 -0.11 0.00 -0.02 0.00 0.00 54.58 50.83 1b41 n ASN 89 Cb 0.28 -0.53 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 1b41 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1b41 s ARG 90 N -3.49 0.98 0.35 -3.83 1.81 -1.26 -5.05 118.95 108.46 1b41 s ARG 90 Ca 0.49 -0.22 -0.28 0.00 -1.72 0.00 0.00 55.73 54.01 1b41 s ARG 90 Cb 0.42 0.45 -0.12 0.00 -0.45 0.00 0.00 34.95 35.25 1b41 s ARG 90 CO 0.00 -0.40 1.33 0.39 -0.68 0.00 0.00 175.30 175.94 1b41 n GLU 91 N 0.01 2.23 -2.87 3.54 -0.58 -1.26 -4.43 120.64 117.28 1b41 n GLU 91 Ca -0.13 0.78 -0.34 0.00 -0.42 0.00 0.00 57.16 57.05 1b41 n GLU 91 Cb 0.62 -2.39 -0.07 0.00 -0.57 0.00 0.00 31.44 29.03 1b41 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1b41 s LEU 92 N -1.20 4.03 -0.11 -4.62 1.43 -1.26 -2.45 118.68 114.50 1b41 s LEU 92 Ca 0.55 1.65 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 1b41 s LEU 92 Cb -0.55 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 41.41 1b41 s LEU 92 CO 0.62 -0.28 0.91 -0.55 0.23 0.00 0.00 176.35 177.28 1b41 s SER 93 N -2.09 -0.43 0.46 2.29 0.15 -0.85 -4.91 113.70 108.33 1b41 s SER 93 Ca 0.59 0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.88 1b41 s SER 93 Cb -0.11 0.37 0.67 0.00 -1.71 0.00 0.00 66.02 65.23 1b41 s SER 93 CO 0.15 -0.45 1.72 -0.33 1.20 0.00 0.00 173.24 175.54 1b41 h GLU 94 N 2.53 0.00 -5.38 5.44 5.08 -1.95 -2.64 114.58 117.67 1b41 h GLU 94 Ca -0.21 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.48 1b41 h GLU 94 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1b41 h GLU 94 CO 0.33 0.05 1.29 0.34 -1.00 0.00 0.00 179.01 180.02 1b41 s ASP 95 N -6.07 6.71 0.00 1.42 -1.08 -1.26 -4.23 116.67 112.15 1b41 s ASP 95 Ca 0.05 -2.12 0.00 0.00 -0.52 0.00 0.00 52.55 49.96 1b41 s ASP 95 Cb 0.07 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1b41 s ASP 95 CO 0.64 -1.14 0.17 0.00 0.52 0.00 0.00 175.17 175.36 1b41 s LEU 97 N -0.02 3.62 0.13 0.00 1.43 -1.26 -4.69 118.68 117.88 1b41 s LEU 97 Ca 0.00 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 51.72 1b41 s LEU 97 Cb 0.00 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 1b41 s LEU 97 CO 0.00 -1.50 -0.01 -0.31 0.23 0.00 0.00 176.35 174.76 1b41 s TYR 98 N 4.84 0.98 0.19 0.29 2.02 -1.26 -3.07 117.35 121.34 1b41 s TYR 98 Ca 0.43 -1.05 -0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1b41 s TYR 98 Cb -0.02 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.94 1b41 s TYR 98 CO -0.07 -0.28 0.13 -0.48 -1.57 0.00 0.00 175.55 173.28 1b41 s LEU 99 N -3.09 1.22 0.04 -1.29 0.05 -0.34 -1.88 118.68 113.39 1b41 s LEU 99 Ca 0.19 -1.33 0.04 0.00 0.05 0.00 0.00 54.13 53.08 1b41 s LEU 99 Cb 0.06 0.43 -0.02 0.00 -2.05 0.00 0.00 46.19 44.62 1b41 s LEU 99 CO -0.00 -0.83 -0.12 0.20 -0.55 0.00 0.00 176.35 175.05 1b41 s ASN 100 N -3.13 1.35 -0.07 1.48 0.01 0.10 -1.22 114.94 113.46 1b41 s ASN 100 Ca 0.36 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1b41 s ASN 100 Cb 0.07 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.68 1b41 s ASN 100 CO 0.10 -0.03 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.82 1b41 s VAL 101 N -0.94 1.32 -0.27 1.60 1.01 -0.35 -1.83 120.40 120.94 1b41 s VAL 101 Ca -0.02 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 1b41 s VAL 101 Cb -0.08 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.16 1b41 s VAL 101 CO 0.01 0.40 -0.05 0.26 0.00 0.00 0.00 175.10 175.71 1b41 s TRP 102 N 0.64 3.20 0.04 5.22 0.51 0.70 -0.67 118.94 128.59 1b41 s TRP 102 Ca -0.15 -1.91 0.07 0.00 -2.12 0.00 0.00 56.10 52.00 1b41 s TRP 102 Cb -0.16 -2.04 -0.02 0.00 -0.81 0.00 0.00 33.47 30.43 1b41 s TRP 102 CO 0.04 -0.81 -0.21 -0.08 -0.51 0.00 0.00 176.95 175.39 1b41 s THR 103 N 1.23 1.65 1.07 2.01 -1.32 0.13 -1.31 115.64 119.10 1b41 s THR 103 Ca -0.05 -1.17 -0.19 0.00 -1.21 0.00 0.00 61.69 59.07 1b41 s THR 103 Cb -0.19 -1.44 0.03 0.00 -1.51 0.00 0.00 72.50 69.39 1b41 s THR 103 CO -0.03 0.22 -0.26 -2.65 -2.21 0.00 0.00 174.62 169.69 1b41 n PRO 104 N 1.90 -1.03 -3.74 7.08 -0.02 -1.26 -1.59 135.00 136.34 1b41 n PRO 104 Ca -0.17 -0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 60.82 1b41 n PRO 104 Cb 0.53 -1.56 -0.18 0.00 -0.02 0.00 0.00 33.50 32.28 1b41 n PRO 104 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1b41 s TYR 105 N -2.20 0.31 0.82 6.00 6.14 -1.26 -3.18 117.35 123.98 1b41 s TYR 105 Ca 0.52 0.07 -0.11 0.00 0.64 0.00 0.00 57.07 58.19 1b41 s TYR 105 Cb -0.09 -0.59 0.09 0.00 0.42 0.00 0.00 41.96 41.79 1b41 s TYR 105 CO 0.67 -0.23 1.10 -1.25 0.64 0.00 0.00 175.55 176.48 1b41 s PRO 106 N 1.96 1.82 0.11 4.97 0.04 -1.26 -4.88 135.00 137.76 1b41 s PRO 106 Ca 0.03 1.12 -0.33 0.00 0.04 0.00 0.00 61.00 61.87 1b41 s PRO 106 Cb -0.12 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.44 1b41 s PRO 106 CO -0.04 -1.93 1.72 -2.13 0.04 0.00 0.00 177.00 174.66 1b41 n ARG 107 N -3.71 2.40 -1.47 4.56 0.63 -1.19 -4.87 116.66 113.00 1b41 n ARG 107 Ca 0.09 0.87 -0.45 0.00 -0.92 0.00 0.00 57.85 57.43 1b41 n ARG 107 Cb 0.53 -2.69 -0.02 0.00 0.45 0.00 0.00 32.46 30.73 1b41 n ARG 107 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1b41 n PRO 108 N 4.65 0.57 0.11 -0.14 -0.02 -1.26 -4.92 135.00 133.99 1b41 n PRO 108 Ca 0.18 0.20 -0.19 0.00 -2.02 0.00 0.00 63.50 61.67 1b41 n PRO 108 Cb 0.32 -1.38 -0.15 0.00 -0.02 0.00 0.00 33.50 32.27 1b41 n PRO 108 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1b41 h THR 109 N 1.27 1.32 -2.42 3.45 1.35 -1.93 -3.44 112.91 112.52 1b41 h THR 109 Ca -0.35 -2.86 -0.55 0.00 -0.55 0.00 0.00 66.41 62.11 1b41 h THR 109 Cb 1.40 2.93 -0.07 0.00 -1.73 0.00 0.00 68.15 70.67 1b41 h THR 109 CO 0.57 0.85 -0.59 -0.44 -0.25 0.00 0.00 175.52 175.66 1b41 s SER 110 N -7.27 5.15 0.05 5.36 0.01 -1.26 -5.05 113.70 110.68 1b41 s SER 110 Ca -0.07 -0.35 -0.31 0.00 1.31 0.00 0.00 55.95 56.53 1b41 s SER 110 Cb 0.06 -1.20 -0.10 0.00 0.21 0.00 0.00 66.02 64.99 1b41 s SER 110 CO 0.90 0.01 1.94 -2.65 0.41 0.00 0.00 173.24 173.85 1b41 n PRO 111 N -0.76 2.81 -4.50 12.44 -0.02 -1.26 -4.87 135.00 138.83 1b41 n PRO 111 Ca -0.08 1.03 -0.34 0.00 -2.02 0.00 0.00 63.50 62.09 1b41 n PRO 111 Cb 0.57 -2.97 -0.11 0.00 -0.02 0.00 0.00 33.50 30.98 1b41 n PRO 111 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b41 s THR 112 N 4.03 3.94 0.45 3.45 -1.32 -0.37 -4.67 115.64 121.16 1b41 s THR 112 Ca 0.88 -0.38 -0.22 0.00 -1.21 0.00 0.00 61.69 60.76 1b41 s THR 112 Cb -0.46 -2.65 -0.12 0.00 -1.51 0.00 0.00 72.50 67.76 1b41 s THR 112 CO 0.42 0.58 0.57 -0.81 -2.21 0.00 0.00 174.62 173.17 1b41 n PRO 113 N 2.41 0.62 -4.48 7.08 -0.04 -1.26 -0.89 135.00 138.44 1b41 n PRO 113 Ca -0.18 0.23 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 1b41 n PRO 113 Cb 0.53 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.30 1b41 n PRO 113 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1b41 s VAL 114 N -1.51 3.35 -0.19 0.52 1.01 -0.36 -2.01 120.40 121.22 1b41 s VAL 114 Ca 0.64 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1b41 s VAL 114 Cb -0.57 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1b41 s VAL 114 CO 0.57 0.32 -0.14 -0.76 0.00 0.00 0.00 175.10 175.10 1b41 s LEU 115 N -1.57 2.21 -0.21 3.92 1.43 -0.27 -0.87 118.68 123.32 1b41 s LEU 115 Ca 0.17 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1b41 s LEU 115 Cb -0.11 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 1b41 s LEU 115 CO 0.08 -0.08 0.07 -0.69 0.23 0.00 0.00 176.35 175.96 1b41 s VAL 116 N 1.35 4.65 -0.17 -1.59 1.01 -0.70 -0.69 120.40 124.27 1b41 s VAL 116 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 1b41 s VAL 116 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1b41 s VAL 116 CO -0.10 0.41 0.04 0.86 0.00 0.00 0.00 175.10 176.31 1b41 s TRP 117 N 0.82 3.20 -0.20 5.22 -0.11 0.35 -1.41 118.94 126.80 1b41 s TRP 117 Ca 0.04 -0.02 -0.00 0.00 1.22 0.00 0.00 56.10 57.34 1b41 s TRP 117 Cb -0.14 -2.05 0.01 0.00 -1.50 0.00 0.00 33.47 29.80 1b41 s TRP 117 CO 0.02 0.11 -0.14 0.42 -4.62 0.00 0.00 176.95 172.74 1b41 s ILE 118 N 0.35 2.47 0.84 5.86 1.01 -1.04 -3.55 121.20 127.14 1b41 s ILE 118 Ca 0.01 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1b41 s ILE 118 Cb -0.13 -2.10 0.09 0.00 0.01 0.00 0.00 42.46 40.33 1b41 s ILE 118 CO 0.01 0.46 1.11 -0.72 0.00 0.00 0.00 174.94 175.80 1b41 s TYR 119 N 1.33 2.72 0.00 3.97 -0.85 -1.26 -3.43 117.35 119.84 1b41 s TYR 119 Ca 0.04 1.04 0.00 0.00 -0.52 0.00 0.00 57.07 57.63 1b41 s TYR 119 Cb -0.14 -3.22 0.00 0.00 0.38 0.00 0.00 41.96 38.98 1b41 s TYR 119 CO -0.09 -1.98 0.00 0.41 -1.52 0.00 0.00 175.55 172.37 1b41 n GLY 120 N -2.16 1.46 0.00 5.49 0.00 -1.17 -2.90 105.19 105.91 1b41 n GLY 120 Ca 0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1b41 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b41 n GLY 121 N 5.00 1.47 2.22 -0.02 0.00 -1.26 -4.22 105.19 108.38 1b41 n GLY 121 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1b41 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b41 n GLY 122 N 0.00 0.37 3.10 -0.02 0.00 -1.26 -1.20 105.19 106.18 1b41 n GLY 122 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b41 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b41 n PHE 123 N -2.66 0.00 0.06 1.61 3.72 -1.26 -4.74 117.46 114.18 1b41 n PHE 123 Ca -0.14 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.26 1b41 n PHE 123 Cb 0.53 -1.09 -0.01 0.00 -0.94 0.00 0.00 39.48 37.97 1b41 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1b41 n TYR 124 N -2.20 0.00 -4.01 1.38 0.18 -0.43 -0.28 117.16 111.79 1b41 n TYR 124 Ca 0.00 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.67 1b41 n TYR 124 Cb 0.16 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.08 1b41 n TYR 124 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1b41 s SER 125 N -0.97 0.28 0.00 9.48 1.04 -0.34 -4.06 113.70 119.13 1b41 s SER 125 Ca 0.01 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.27 1b41 s SER 125 Cb 0.01 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1b41 s SER 125 CO 0.05 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1b41 n GLY 126 N -0.46 3.29 3.61 7.32 0.00 -1.26 -4.10 105.19 113.59 1b41 n GLY 126 Ca -0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 1b41 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 s ALA 127 N -2.66 -1.97 -0.84 4.61 0.00 -1.26 -4.62 121.76 115.02 1b41 s ALA 127 Ca 0.00 1.73 0.22 0.00 0.00 0.00 0.00 51.96 53.91 1b41 s ALA 127 Cb 0.00 -1.12 0.89 0.00 0.00 0.00 0.00 23.12 22.89 1b41 s ALA 127 CO 0.00 -0.26 1.69 -1.13 0.00 0.00 0.00 175.76 176.05 1b41 n SER 128 N 1.49 0.28 -0.85 0.00 3.41 -1.26 -3.13 113.62 113.55 1b41 n SER 128 Ca -0.11 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.13 1b41 n SER 128 Cb 0.57 -0.62 0.22 0.00 -0.26 0.00 0.00 64.21 64.13 1b41 n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1b41 n SER 129 N -1.79 2.47 -4.76 4.04 3.41 -1.26 -4.85 113.62 110.88 1b41 n SER 129 Ca 0.04 -1.97 -0.41 0.00 -0.26 0.00 0.00 58.87 56.28 1b41 n SER 129 Cb 0.27 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 1b41 n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1b41 s LEU 130 N -1.08 4.46 0.32 1.04 1.43 -1.18 -4.91 118.68 118.75 1b41 s LEU 130 Ca 0.32 2.52 0.07 0.00 -1.03 0.00 0.00 54.13 56.01 1b41 s LEU 130 Cb 0.17 -3.64 0.76 0.00 0.03 0.00 0.00 46.19 43.51 1b41 s LEU 130 CO 0.22 -0.43 1.81 0.44 0.23 0.00 0.00 176.35 178.63 1b41 h ASP 131 N 3.90 0.75 0.25 2.29 3.32 -1.92 -0.40 116.42 124.61 1b41 h ASP 131 Ca -0.47 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1b41 h ASP 131 Cb 1.22 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1b41 h ASP 131 CO 0.68 0.31 0.00 0.55 -1.72 0.00 0.00 179.24 179.07 1b41 n VAL 132 N -4.67 0.94 -1.22 -1.35 3.14 -1.26 -2.33 118.33 111.59 1b41 n VAL 132 Ca 0.21 0.23 0.02 0.00 -2.96 0.00 0.00 64.34 61.85 1b41 n VAL 132 Cb 0.53 -1.06 0.22 0.00 -1.06 0.00 0.00 33.84 32.47 1b41 n VAL 132 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1b41 n TYR 133 N -1.36 1.00 -2.36 1.45 4.01 -0.16 -4.47 117.16 115.28 1b41 n TYR 133 Ca 0.04 -1.24 -0.43 0.00 -0.16 0.00 0.00 57.90 56.11 1b41 n TYR 133 Cb 0.09 -0.40 -0.02 0.00 -0.31 0.00 0.00 39.34 38.70 1b41 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1b41 s ASP 134 N -2.26 6.55 0.00 7.72 2.15 -0.98 -4.91 116.67 124.93 1b41 s ASP 134 Ca 0.43 1.19 0.08 0.00 0.43 0.00 0.00 52.55 54.68 1b41 s ASP 134 Cb 0.37 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.83 1b41 s ASP 134 CO 0.04 -1.19 1.26 0.61 -0.17 0.00 0.00 175.17 175.72 1b41 n GLY 135 N 4.54 -0.55 0.12 2.66 0.00 -1.26 -4.32 105.19 106.39 1b41 n GLY 135 Ca 0.16 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1b41 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1b41 h ARG 136 N 0.62 0.30 -0.18 1.61 0.11 -1.90 -1.85 114.38 113.09 1b41 h ARG 136 Ca 0.00 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 60.03 1b41 h ARG 136 Cb 0.14 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1b41 h ARG 136 CO 0.00 0.20 -0.01 0.74 0.10 0.00 0.00 179.97 181.00 1b41 h PHE 137 N 0.31 0.35 -0.90 4.08 -1.00 -1.79 -0.89 116.94 117.09 1b41 h PHE 137 Ca 0.09 -0.06 0.07 0.00 2.81 0.00 0.00 57.97 60.88 1b41 h PHE 137 Cb -0.02 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.39 1b41 h PHE 137 CO -0.07 0.53 0.56 1.25 -1.61 0.00 0.00 178.31 178.97 1b41 h LEU 138 N 0.06 0.88 -0.55 1.54 5.85 -1.63 0.13 115.31 121.60 1b41 h LEU 138 Ca 0.05 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 1b41 h LEU 138 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1b41 h LEU 138 CO 0.01 0.56 -0.43 0.58 -0.34 0.00 0.00 178.44 178.82 1b41 h VAL 139 N 1.02 1.29 -0.30 1.05 2.07 -1.23 -2.53 116.25 117.62 1b41 h VAL 139 Ca 0.39 -1.61 -0.18 0.00 0.82 0.00 0.00 66.70 66.13 1b41 h VAL 139 Cb 0.19 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1b41 h VAL 139 CO -0.18 0.52 -0.52 -0.61 0.02 0.00 0.00 177.57 176.80 1b41 h GLN 140 N 0.56 0.88 0.05 1.57 -0.00 -0.54 -0.92 115.11 116.71 1b41 h GLN 140 Ca 0.04 -0.54 -0.10 0.00 -0.00 0.00 0.00 58.65 58.05 1b41 h GLN 140 Cb 0.97 0.06 0.01 0.00 0.00 0.00 0.00 27.48 28.51 1b41 h GLN 140 CO 0.09 1.18 -0.44 0.00 0.00 0.00 0.00 178.83 179.65 1b41 h ALA 141 N 0.72 -0.01 -0.41 3.38 0.00 -1.03 -3.35 119.26 118.56 1b41 h ALA 141 Ca 0.02 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1b41 h ALA 141 Cb 1.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b41 h ALA 141 CO 0.12 0.20 0.00 0.39 0.00 0.00 0.00 179.25 179.96 1b41 n GLU 142 N -4.36 2.51 -4.08 0.00 -0.58 -0.95 -4.98 120.64 108.21 1b41 n GLU 142 Ca -0.11 -2.31 -0.29 0.00 -0.42 0.00 0.00 57.16 54.03 1b41 n GLU 142 Cb 0.63 -1.51 -0.03 0.00 -0.57 0.00 0.00 31.44 29.96 1b41 n GLU 142 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1b41 n ARG 143 N 1.49 -3.00 -4.39 3.49 0.63 -0.36 -4.97 116.66 109.55 1b41 n ARG 143 Ca 0.19 0.36 -0.26 0.00 -0.92 0.00 0.00 57.85 57.22 1b41 n ARG 143 Cb 0.60 -4.60 -0.09 0.00 0.45 0.00 0.00 32.46 28.82 1b41 n ARG 143 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1b41 s THR 144 N -3.81 2.26 0.04 5.15 -4.23 -1.18 -4.91 115.64 108.97 1b41 s THR 144 Ca 0.23 -1.91 -0.16 0.00 -1.18 0.00 0.00 61.69 58.67 1b41 s THR 144 Cb -0.12 -2.92 -0.06 0.00 1.34 0.00 0.00 72.50 70.73 1b41 s THR 144 CO 0.91 -0.06 0.47 -0.69 -0.54 0.00 0.00 174.62 174.71 1b41 s VAL 145 N -2.62 4.93 -0.06 2.29 1.01 -0.85 -4.40 120.40 120.70 1b41 s VAL 145 Ca 0.37 0.92 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1b41 s VAL 145 Cb 0.05 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1b41 s VAL 145 CO 0.20 0.52 -0.10 -0.22 0.00 0.00 0.00 175.10 175.50 1b41 s LEU 146 N -1.23 1.52 -0.00 3.92 1.98 -0.43 -1.12 118.68 123.31 1b41 s LEU 146 Ca 0.27 -0.25 0.05 0.00 -2.89 0.00 0.00 54.13 51.32 1b41 s LEU 146 Cb -0.17 -0.71 -0.01 0.00 0.66 0.00 0.00 46.19 45.95 1b41 s LEU 146 CO 0.16 -0.00 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.76 1b41 s VAL 147 N 0.81 1.27 -0.00 1.68 1.01 0.14 -0.21 120.40 125.10 1b41 s VAL 147 Ca -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1b41 s VAL 147 Cb -0.15 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1b41 s VAL 147 CO 0.02 0.32 0.02 -0.94 0.00 0.00 0.00 175.10 174.51 1b41 s SER 148 N -0.49 0.05 0.08 3.32 1.04 -0.76 -0.50 113.70 116.45 1b41 s SER 148 Ca 0.06 -0.12 0.03 0.00 0.48 0.00 0.00 55.95 56.40 1b41 s SER 148 Cb -0.06 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 1b41 s SER 148 CO -0.00 -0.12 -0.09 0.00 0.98 0.00 0.00 173.24 174.01 1b41 s MET 149 N -0.51 0.77 0.14 4.02 0.23 -1.23 0.02 119.30 122.74 1b41 s MET 149 Ca -0.06 -1.10 -0.13 0.00 -1.03 0.00 0.00 55.69 53.38 1b41 s MET 149 Cb -0.04 -0.43 -0.07 0.00 -1.53 0.00 0.00 34.83 32.76 1b41 s MET 149 CO -0.00 0.06 0.52 -0.80 -2.03 0.00 0.00 175.02 172.76 1b41 s ASN 150 N -2.34 6.77 0.00 -1.18 -0.87 -0.79 -4.67 114.94 111.86 1b41 s ASN 150 Ca 0.03 1.00 -0.00 0.00 -1.57 0.00 0.00 52.86 52.31 1b41 s ASN 150 Cb -0.03 -2.26 -0.00 0.00 -0.02 0.00 0.00 41.25 38.94 1b41 s ASN 150 CO -0.01 0.10 0.00 -0.72 -2.57 0.00 0.00 177.10 173.91 1b41 s TYR 151 N -1.48 0.06 0.43 2.20 1.13 -1.26 -4.54 117.35 113.89 1b41 s TYR 151 Ca 0.37 -0.12 -0.24 0.00 -1.41 0.00 0.00 57.07 55.67 1b41 s TYR 151 Cb -0.14 -0.05 -0.11 0.00 -1.10 0.00 0.00 41.96 40.56 1b41 s TYR 151 CO 0.19 -0.06 0.94 0.54 -2.51 0.00 0.00 175.55 174.65 1b41 n ARG 152 N 2.65 1.21 -4.40 -3.49 1.74 -1.26 -4.90 116.66 108.20 1b41 n ARG 152 Ca -0.15 0.44 -0.21 0.00 -0.77 0.00 0.00 57.85 57.15 1b41 n ARG 152 Cb 0.59 -1.97 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 1b41 n ARG 152 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1b41 s VAL 153 N -1.31 0.46 0.00 1.55 -7.23 -1.26 -4.34 120.40 108.26 1b41 s VAL 153 Ca 0.64 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1b41 s VAL 153 Cb -0.56 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 33.90 1b41 s VAL 153 CO 0.56 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.96 1b41 n GLY 154 N -0.70 0.93 0.31 2.32 0.00 0.61 -1.31 105.19 107.35 1b41 n GLY 154 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.29 1b41 n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 h ALA 155 N -0.92 1.30 -0.15 4.61 0.00 -1.90 0.55 119.26 122.74 1b41 h ALA 155 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1b41 h ALA 155 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1b41 h ALA 155 CO 0.00 -0.14 0.11 0.74 0.00 0.00 0.00 179.25 179.96 1b41 h PHE 156 N 0.58 0.00 0.00 0.00 -1.00 -1.88 -0.03 116.94 114.60 1b41 h PHE 156 Ca 0.48 0.00 -0.36 0.00 2.81 0.00 0.00 57.97 60.90 1b41 h PHE 156 Cb 0.73 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.22 1b41 h PHE 156 CO -0.10 0.00 -2.35 0.41 -1.61 0.00 0.00 178.31 174.66 1b41 n GLY 157 N -1.55 -0.82 0.00 -1.45 0.00 0.33 -4.33 105.19 97.36 1b41 n GLY 157 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1b41 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1b41 n PHE 158 N -2.83 0.00 -1.66 1.61 3.01 0.17 -1.78 117.46 115.97 1b41 n PHE 158 Ca -0.34 -0.04 -0.46 0.00 1.01 0.00 0.00 57.45 57.62 1b41 n PHE 158 Cb 1.09 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.52 1b41 n PHE 158 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1b41 n LEU 159 N -0.04 2.99 -4.05 4.37 0.00 -0.04 -4.52 117.00 115.71 1b41 n LEU 159 Ca 0.00 1.09 -0.18 0.00 0.00 0.00 0.00 56.01 56.92 1b41 n LEU 159 Cb 0.20 -1.41 -0.14 0.00 0.00 0.00 0.00 43.42 42.07 1b41 n LEU 159 CO 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 177.39 176.61 1b41 s ALA 160 N 0.84 0.79 -0.59 1.96 0.00 -1.26 -4.17 121.76 119.33 1b41 s ALA 160 Ca 0.79 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1b41 s ALA 160 Cb -0.70 -0.14 0.23 0.00 0.00 0.00 0.00 23.12 22.51 1b41 s ALA 160 CO 0.39 0.15 0.63 1.28 0.00 0.00 0.00 175.76 178.21 1b41 n LEU 161 N 2.41 2.65 -2.61 0.00 4.32 -0.05 -3.81 117.00 119.91 1b41 n LEU 161 Ca -0.16 -5.19 -0.36 0.00 -0.02 0.00 0.00 56.01 50.29 1b41 n LEU 161 Cb 0.56 -0.35 -0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1b41 n LEU 161 CO 0.24 1.99 0.49 -2.65 -1.22 0.00 0.00 177.39 176.24 1b41 n PRO 162 N 1.29 0.00 0.00 3.23 -0.02 -1.26 -0.90 135.00 137.34 1b41 n PRO 162 Ca 0.26 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1b41 n PRO 162 Cb 0.43 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 1b41 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b41 n GLY 163 N 1.59 3.08 3.72 -1.23 0.00 -1.26 -5.05 105.19 106.03 1b41 n GLY 163 Ca 0.15 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1b41 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b41 s SER 164 N 0.30 3.64 -0.10 1.61 1.04 -0.08 -4.98 113.70 115.14 1b41 s SER 164 Ca 0.00 1.87 0.20 0.00 0.48 0.00 0.00 55.95 58.50 1b41 s SER 164 Cb 0.00 -2.47 -0.28 0.00 0.10 0.00 0.00 66.02 63.37 1b41 s SER 164 CO 0.00 -2.59 0.32 0.54 0.98 0.00 0.00 173.24 172.49 1b41 n ARG 165 N -3.88 0.67 0.09 4.02 1.74 -1.26 -3.44 116.66 114.59 1b41 n ARG 165 Ca 0.09 -0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 1b41 n ARG 165 Cb 0.53 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1b41 n ARG 165 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1b41 h GLU 166 N 0.00 0.15 -1.71 5.56 4.39 -1.94 -3.39 114.58 117.64 1b41 h GLU 166 Ca -0.27 -0.16 -0.51 0.00 0.34 0.00 0.00 59.36 58.76 1b41 h GLU 166 Cb 1.64 0.05 -0.35 0.00 -0.10 0.00 0.00 28.75 29.98 1b41 h GLU 166 CO 0.02 0.92 -1.01 0.00 -1.16 0.00 0.00 179.01 177.77 1b41 n ALA 167 N -2.44 1.85 0.11 3.43 0.00 -1.26 -4.18 120.51 118.02 1b41 n ALA 167 Ca -0.03 -3.09 0.01 0.00 0.00 0.00 0.00 53.44 50.33 1b41 n ALA 167 Cb 0.80 -0.89 0.34 0.00 0.00 0.00 0.00 19.45 19.70 1b41 n ALA 167 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1b41 h PRO 168 N 4.04 0.22 0.00 0.00 0.13 -1.75 -0.09 132.00 134.55 1b41 h PRO 168 Ca 0.04 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1b41 h PRO 168 Cb 0.90 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1b41 h PRO 168 CO 0.44 0.45 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 1b41 n GLY 169 N -0.65 0.60 2.39 1.56 0.00 -1.26 -4.58 105.19 103.26 1b41 n GLY 169 Ca -0.01 -1.86 -0.18 0.00 0.00 0.00 0.00 46.02 43.97 1b41 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b41 n ASN 170 N -0.61 -4.78 0.29 1.61 3.02 -1.26 -4.81 115.26 108.72 1b41 n ASN 170 Ca 0.00 0.43 0.17 0.00 -0.03 0.00 0.00 54.58 55.16 1b41 n ASN 170 Cb 0.00 -4.27 0.81 0.00 -0.61 0.00 0.00 39.78 35.71 1b41 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1b41 h VAL 171 N 0.00 0.14 -0.46 2.41 -1.51 -1.86 -1.82 116.25 113.15 1b41 h VAL 171 Ca -0.37 -0.44 -0.11 0.00 -1.23 0.00 0.00 66.70 64.55 1b41 h VAL 171 Cb 1.18 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 1b41 h VAL 171 CO 0.54 0.04 -0.14 1.23 -1.23 0.00 0.00 177.57 178.01 1b41 h GLY 172 N 1.34 0.94 2.00 5.19 0.00 -1.59 -0.41 103.07 110.54 1b41 h GLY 172 Ca -0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 1b41 h GLY 172 CO 0.00 0.69 -0.49 1.41 0.00 0.00 0.00 176.54 178.16 1b41 h LEU 173 N 0.77 0.00 -0.87 3.11 3.38 -1.64 -2.40 115.31 117.66 1b41 h LEU 173 Ca 0.12 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 1b41 h LEU 173 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1b41 h LEU 173 CO 0.05 0.49 -0.50 -0.07 0.09 0.00 0.00 178.44 178.49 1b41 h LEU 174 N 0.00 0.00 0.16 1.67 3.38 -0.79 -1.43 115.31 118.30 1b41 h LEU 174 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1b41 h LEU 174 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1b41 h LEU 174 CO 0.06 0.50 -0.07 0.44 0.09 0.00 0.00 178.44 179.46 1b41 h ASP 175 N 0.00 -0.18 -0.58 -0.43 3.32 -0.64 -0.79 116.42 117.13 1b41 h ASP 175 Ca -0.01 -0.29 0.12 0.00 0.02 0.00 0.00 57.03 56.87 1b41 h ASP 175 Cb 0.98 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 1b41 h ASP 175 CO 0.07 0.21 -0.14 1.56 -1.72 0.00 0.00 179.24 179.22 1b41 h GLN 176 N -0.60 0.00 -0.35 3.56 4.20 -1.25 -0.78 115.11 119.90 1b41 h GLN 176 Ca -0.02 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1b41 h GLN 176 Cb 0.45 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1b41 h GLN 176 CO 0.03 0.00 0.20 -0.09 -0.67 0.00 0.00 178.83 178.30 1b41 h ARG 177 N 0.00 0.47 -0.55 1.46 2.43 -1.19 -1.11 114.38 115.89 1b41 h ARG 177 Ca 0.28 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 1b41 h ARG 177 Cb 0.42 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1b41 h ARG 177 CO -0.59 0.38 0.37 1.25 -1.51 0.00 0.00 179.97 179.86 1b41 h LEU 178 N 0.44 0.41 -0.54 3.80 5.85 0.00 0.16 115.31 125.44 1b41 h LEU 178 Ca 0.12 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.69 1b41 h LEU 178 Cb 0.03 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1b41 h LEU 178 CO -0.02 0.26 -0.51 0.00 -0.34 0.00 0.00 178.44 177.83 1b41 h ALA 179 N 1.71 0.72 -0.15 1.25 0.00 -0.43 -0.80 119.26 121.55 1b41 h ALA 179 Ca 0.24 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1b41 h ALA 179 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1b41 h ALA 179 CO -0.07 0.68 -0.32 -0.07 0.00 0.00 0.00 179.25 179.47 1b41 h LEU 180 N 0.46 0.31 -0.54 0.00 3.38 0.30 -1.27 115.31 117.95 1b41 h LEU 180 Ca 0.02 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.72 1b41 h LEU 180 Cb 1.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1b41 h LEU 180 CO 0.10 0.62 -0.57 1.56 0.09 0.00 0.00 178.44 180.24 1b41 h GLN 181 N 0.27 0.48 -0.53 1.13 4.20 -0.49 -2.44 115.11 117.73 1b41 h GLN 181 Ca 0.03 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.40 1b41 h GLN 181 Cb 0.70 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.50 1b41 h GLN 181 CO 0.05 0.92 0.20 2.35 -0.67 0.00 0.00 178.83 181.68 1b41 h TRP 182 N 0.36 0.77 -0.23 2.96 7.01 -0.64 -1.80 115.95 124.38 1b41 h TRP 182 Ca 0.00 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.89 1b41 h TRP 182 Cb 1.11 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1b41 h TRP 182 CO 0.04 0.61 -0.18 0.28 -2.79 0.00 0.00 178.44 176.40 1b41 h VAL 183 N 0.75 1.23 -0.42 2.65 2.07 -0.81 -1.52 116.25 120.22 1b41 h VAL 183 Ca 0.18 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.52 1b41 h VAL 183 Cb 0.17 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1b41 h VAL 183 CO -0.02 0.34 -0.18 1.56 0.02 0.00 0.00 177.57 179.29 1b41 h GLN 184 N 0.37 0.80 0.00 1.57 1.08 -0.88 -1.17 115.11 116.88 1b41 h GLN 184 Ca 0.06 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1b41 h GLN 184 Cb 0.53 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1b41 h GLN 184 CO 0.03 0.92 -1.34 -0.85 -0.95 0.00 0.00 178.83 176.64 1b41 n GLU 185 N -4.13 0.59 -0.01 1.46 0.28 -1.11 -4.66 120.64 113.05 1b41 n GLU 185 Ca 0.01 -0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.02 1b41 n GLU 185 Cb 0.41 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.55 1b41 n GLU 185 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1b41 n ASN 186 N -2.45 4.00 -0.05 -1.84 3.02 -0.58 -4.72 115.26 112.63 1b41 n ASN 186 Ca -0.01 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.77 1b41 n ASN 186 Cb 0.54 1.03 0.71 0.00 -0.61 0.00 0.00 39.78 41.45 1b41 n ASN 186 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1b41 h VAL 187 N 0.00 0.61 0.00 2.41 3.04 -1.37 0.61 116.25 121.56 1b41 h VAL 187 Ca -0.03 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1b41 h VAL 187 Cb 0.50 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 30.44 1b41 h VAL 187 CO 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 176.45 1b41 h ALA 188 N 1.63 1.59 0.00 3.17 0.00 -1.78 0.19 119.26 124.07 1b41 h ALA 188 Ca 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1b41 h ALA 188 Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b41 h ALA 188 CO -0.00 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 1b41 h ALA 189 N 1.89 1.75 -0.61 0.00 0.00 -1.17 -0.55 119.26 120.56 1b41 h ALA 189 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1b41 h ALA 189 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1b41 h ALA 189 CO 0.01 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.54 1b41 n PHE 190 N -4.26 1.30 -0.80 0.00 3.01 -0.23 -4.92 117.46 111.56 1b41 n PHE 190 Ca -0.03 -0.61 0.00 0.00 1.01 0.00 0.00 57.45 57.83 1b41 n PHE 190 Cb 0.15 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 1b41 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b41 n GLY 191 N 1.03 0.57 3.84 1.37 0.00 -0.22 -4.66 105.19 107.13 1b41 n GLY 191 Ca 0.24 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1b41 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1b41 s GLY 192 N -2.23 2.41 -0.52 -0.02 0.00 0.52 -1.23 107.32 106.24 1b41 s GLY 192 Ca 0.00 0.03 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 1b41 s GLY 192 CO 0.00 0.27 0.47 -0.35 0.00 0.00 0.00 173.10 173.49 1b41 s ASP 193 N -2.08 6.15 0.00 1.64 2.15 -0.07 -3.08 116.67 121.38 1b41 s ASP 193 Ca 0.49 -1.69 0.02 0.00 0.43 0.00 0.00 52.55 51.80 1b41 s ASP 193 Cb -0.12 -2.19 0.10 0.00 -0.30 0.00 0.00 42.92 40.41 1b41 s ASP 193 CO 0.19 -0.80 1.05 -0.81 -0.17 0.00 0.00 175.17 174.63 1b41 n PRO 194 N 5.22 0.00 -0.12 4.34 -0.04 -1.26 -0.69 135.00 142.45 1b41 n PRO 194 Ca -0.13 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1b41 n PRO 194 Cb 0.41 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.68 1b41 n PRO 194 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1b41 n THR 195 N -1.47 0.31 -3.12 0.52 -2.24 -1.26 -4.42 114.28 102.60 1b41 n THR 195 Ca 0.01 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.10 1b41 n THR 195 Cb 0.03 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1b41 n THR 195 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b41 n SER 196 N 0.74 -0.93 -4.49 3.42 2.88 0.14 -4.94 113.62 110.43 1b41 n SER 196 Ca 0.17 -2.75 -0.34 0.00 -1.33 0.00 0.00 58.87 54.62 1b41 n SER 196 Cb 0.43 0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.85 1b41 n SER 196 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1b41 s VAL 197 N -0.32 4.00 -0.15 2.46 1.01 -1.26 -1.22 120.40 124.92 1b41 s VAL 197 Ca 0.33 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1b41 s VAL 197 Cb 0.13 -2.78 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1b41 s VAL 197 CO -0.15 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.32 1b41 s THR 198 N 0.57 2.01 0.01 3.92 2.01 -0.05 -0.02 115.64 124.10 1b41 s THR 198 Ca -0.02 -0.94 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 1b41 s THR 198 Cb -0.14 -1.80 -0.06 0.00 0.01 0.00 0.00 72.50 70.51 1b41 s THR 198 CO 0.02 0.54 0.47 -0.76 -0.69 0.00 0.00 174.62 174.20 1b41 s LEU 199 N 1.02 4.47 -0.04 4.42 1.43 -0.12 -1.72 118.68 128.15 1b41 s LEU 199 Ca -0.02 1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 54.10 1b41 s LEU 199 Cb -0.14 -2.71 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1b41 s LEU 199 CO -0.06 0.27 0.10 0.72 0.23 0.00 0.00 176.35 177.60 1b41 s PHE 200 N -0.89 -0.10 0.24 0.29 -0.71 -0.50 0.30 117.98 116.60 1b41 s PHE 200 Ca 0.26 0.26 -0.18 0.00 -1.04 0.00 0.00 56.93 56.24 1b41 s PHE 200 Cb -0.17 0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1b41 s PHE 200 CO 0.15 -0.06 0.58 0.20 -1.34 0.00 0.00 175.22 174.76 1b41 s GLY 201 N 0.12 0.08 0.04 1.99 0.00 -1.08 -2.49 107.32 105.98 1b41 s GLY 201 Ca -0.01 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.34 1b41 s GLY 201 CO -0.00 -0.30 -0.17 1.85 0.00 0.00 0.00 173.10 174.48 1b41 s GLU 202 N -3.93 1.14 7.71 2.90 -6.30 -1.22 -1.36 118.70 117.64 1b41 s GLU 202 Ca 0.14 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.79 1b41 s GLU 202 Cb -0.03 -1.20 0.00 0.00 0.00 0.00 0.00 34.13 32.91 1b41 s GLU 202 CO 0.04 0.30 0.00 0.45 0.02 0.00 0.00 175.26 176.07 1b41 n SER 203 N 1.94 0.00 0.29 -1.70 2.88 0.11 -0.09 113.62 117.04 1b41 n SER 203 Ca -0.17 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.51 1b41 n SER 203 Cb 0.54 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.88 1b41 n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b41 h ALA 204 N -0.96 1.57 -0.17 -1.46 0.00 -1.87 0.79 119.26 117.16 1b41 h ALA 204 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1b41 h ALA 204 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1b41 h ALA 204 CO 0.00 0.01 -0.42 0.78 0.00 0.00 0.00 179.25 179.62 1b41 h GLY 205 N 0.04 0.44 0.95 0.00 0.00 -0.36 0.68 103.07 104.82 1b41 h GLY 205 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1b41 h GLY 205 CO 0.00 0.39 -0.39 0.00 0.00 0.00 0.00 176.54 176.54 1b41 h ALA 206 N 1.22 0.34 -0.54 3.60 0.00 -0.85 -1.68 119.26 121.34 1b41 h ALA 206 Ca 0.03 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1b41 h ALA 206 Cb 0.88 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1b41 h ALA 206 CO 0.07 0.43 0.29 0.00 0.00 0.00 0.00 179.25 180.04 1b41 h ALA 207 N 0.62 0.70 0.25 0.00 0.00 -0.98 0.15 119.26 120.00 1b41 h ALA 207 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1b41 h ALA 207 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b41 h ALA 207 CO 0.09 -0.05 -0.19 0.77 0.00 0.00 0.00 179.25 179.87 1b41 h SER 208 N 0.56 -0.50 -0.70 0.00 0.02 -0.75 -0.56 113.55 111.62 1b41 h SER 208 Ca 0.24 0.04 0.14 0.00 -0.84 0.00 0.00 61.79 61.37 1b41 h SER 208 Cb 0.13 0.16 -0.13 0.00 0.14 0.00 0.00 62.40 62.70 1b41 h SER 208 CO -0.15 -0.30 -0.13 0.58 -1.14 0.00 0.00 176.83 175.69 1b41 h VAL 209 N -0.45 0.32 -0.86 2.27 2.07 -0.64 0.32 116.25 119.29 1b41 h VAL 209 Ca -0.02 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1b41 h VAL 209 Cb 0.40 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1b41 h VAL 209 CO -0.01 0.00 0.57 1.23 0.02 0.00 0.00 177.57 179.38 1b41 h GLY 210 N 0.02 1.22 1.78 2.17 0.00 -0.37 -1.51 103.07 106.39 1b41 h GLY 210 Ca 0.35 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 1b41 h GLY 210 CO -0.70 0.39 -0.46 -0.33 0.00 0.00 0.00 176.54 175.44 1b41 h MET 211 N 1.10 0.24 0.00 4.80 2.86 0.12 -1.24 114.93 122.81 1b41 h MET 211 Ca 0.33 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1b41 h MET 211 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1b41 h MET 211 CO -0.09 0.66 -0.36 0.45 1.06 0.00 0.00 176.91 178.63 1b41 h HIS 212 N 0.20 0.00 -0.15 -0.22 3.86 -0.47 -0.21 115.15 118.16 1b41 h HIS 212 Ca 0.01 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.08 1b41 h HIS 212 Cb 0.89 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 1b41 h HIS 212 CO 0.02 0.36 -0.52 -0.07 0.86 0.00 0.00 177.93 178.57 1b41 h LEU 213 N 0.00 0.47 -1.48 2.43 3.38 -0.36 -3.14 115.31 116.61 1b41 h LEU 213 Ca -0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1b41 h LEU 213 Cb 0.82 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1b41 h LEU 213 CO 0.05 0.90 0.00 0.18 0.09 0.00 0.00 178.44 179.66 1b41 n LEU 214 N -3.96 2.26 -4.17 1.67 4.77 -0.56 -4.80 117.00 112.21 1b41 n LEU 214 Ca -0.02 -0.84 -0.37 0.00 -0.03 0.00 0.00 56.01 54.75 1b41 n LEU 214 Cb 0.57 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1b41 n LEU 214 CO 0.45 0.42 -0.21 -0.55 -1.33 0.00 0.00 177.39 176.17 1b41 s SER 215 N -1.81 5.23 0.15 -1.43 0.15 -0.16 -4.84 113.70 111.00 1b41 s SER 215 Ca 0.34 -1.70 -0.17 0.00 0.70 0.00 0.00 55.95 55.12 1b41 s SER 215 Cb 0.20 -1.83 0.08 0.00 -1.71 0.00 0.00 66.02 62.77 1b41 s SER 215 CO 0.30 -0.46 1.14 -2.65 1.20 0.00 0.00 173.24 172.77 1b41 n PRO 216 N 4.67 -0.24 -0.09 5.44 -0.02 -1.26 -0.33 135.00 143.17 1b41 n PRO 216 Ca -0.07 1.12 0.21 0.00 -2.02 0.00 0.00 63.50 62.75 1b41 n PRO 216 Cb 0.42 -1.66 0.66 0.00 -0.02 0.00 0.00 33.50 32.90 1b41 n PRO 216 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1b41 h PRO 217 N 0.00 0.09 0.00 0.52 0.11 -1.94 0.50 132.00 131.29 1b41 h PRO 217 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1b41 h PRO 217 Cb 0.38 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1b41 h PRO 217 CO -0.71 0.06 -0.10 0.77 -0.21 0.00 0.00 178.00 177.80 1b41 h SER 218 N 0.09 0.00 -0.49 -2.05 0.02 -0.94 -3.37 113.55 106.82 1b41 h SER 218 Ca 0.33 -0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.38 1b41 h SER 218 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1b41 h SER 218 CO -0.03 0.01 0.34 0.03 -1.14 0.00 0.00 176.83 176.04 1b41 h ARG 219 N 0.00 0.11 -0.37 3.45 2.47 -0.77 -0.36 114.38 118.91 1b41 h ARG 219 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1b41 h ARG 219 Cb 0.85 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1b41 h ARG 219 CO 0.00 0.07 0.00 0.41 0.56 0.00 0.00 179.97 181.01 1b41 n GLY 220 N -1.59 0.52 0.54 0.04 0.00 -1.26 -3.87 105.19 99.56 1b41 n GLY 220 Ca 0.08 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1b41 n GLY 220 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b41 n LEU 221 N 0.22 2.07 -3.83 0.99 4.77 -0.14 -5.03 117.00 116.04 1b41 n LEU 221 Ca 0.08 -0.90 -0.07 0.00 -0.03 0.00 0.00 56.01 55.09 1b41 n LEU 221 Cb 0.28 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1b41 n LEU 221 CO 0.07 0.38 0.53 0.72 -1.33 0.00 0.00 177.39 177.76 1b41 s PHE 222 N -1.59 -0.05 0.00 -1.77 -0.71 -1.25 -4.89 117.98 107.73 1b41 s PHE 222 Ca 0.17 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 1b41 s PHE 222 Cb 0.13 0.75 0.00 0.00 -1.21 0.00 0.00 43.02 42.70 1b41 s PHE 222 CO 0.29 -1.31 0.00 0.72 -1.34 0.00 0.00 175.22 173.57 1b41 n HIS 223 N -0.50 0.00 -3.99 3.49 8.25 0.97 -4.91 115.22 118.53 1b41 n HIS 223 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.32 1b41 n HIS 223 Cb 0.60 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 1b41 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1b41 s ARG 224 N -0.61 0.83 -0.02 -0.41 0.52 -1.06 -4.37 118.95 113.82 1b41 s ARG 224 Ca 0.00 -1.15 -0.06 0.00 -0.52 0.00 0.00 55.73 54.01 1b41 s ARG 224 Cb 0.00 0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.77 1b41 s ARG 224 CO 0.00 -0.24 0.13 0.00 0.02 0.00 0.00 175.30 175.21 1b41 s ALA 225 N -3.92 -0.30 -0.09 2.13 0.00 -1.11 -0.94 121.76 117.53 1b41 s ALA 225 Ca 0.10 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1b41 s ALA 225 Cb 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1b41 s ALA 225 CO -0.07 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.56 1b41 s VAL 226 N -0.69 0.89 -0.30 0.00 1.01 0.15 -0.72 120.40 120.73 1b41 s VAL 226 Ca -0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1b41 s VAL 226 Cb -0.05 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.49 1b41 s VAL 226 CO 0.01 0.33 -0.02 -0.76 0.00 0.00 0.00 175.10 174.66 1b41 s LEU 227 N 1.40 3.84 -0.29 3.92 1.02 0.43 -2.62 118.68 126.39 1b41 s LEU 227 Ca -0.02 -1.30 -0.09 0.00 0.02 0.00 0.00 54.13 52.74 1b41 s LEU 227 Cb -0.13 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 1b41 s LEU 227 CO -0.04 -0.25 0.13 -1.10 0.02 0.00 0.00 176.35 175.11 1b41 s GLN 228 N 1.23 3.53 -1.46 1.70 -0.21 -0.46 -1.98 119.66 122.01 1b41 s GLN 228 Ca -0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 55.36 54.71 1b41 s GLN 228 Cb -0.20 -3.50 0.03 0.00 1.00 0.00 0.00 33.01 30.34 1b41 s GLN 228 CO -0.02 -0.31 0.48 0.43 -2.12 0.00 0.00 175.29 173.75 1b41 n SER 229 N 4.97 -0.83 0.00 5.90 7.64 0.11 -0.72 113.62 130.69 1b41 n SER 229 Ca -0.15 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.73 1b41 n SER 229 Cb 0.50 -3.00 0.00 0.00 -1.01 0.00 0.00 64.21 60.70 1b41 n SER 229 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b41 n GLY 230 N -1.91 1.12 3.32 0.23 0.00 -1.26 -3.36 105.19 103.33 1b41 n GLY 230 Ca -0.25 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 1b41 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 s ALA 231 N -2.00 -1.05 -0.17 4.61 0.00 -1.26 -4.35 121.76 117.54 1b41 s ALA 231 Ca 0.00 0.48 0.26 0.00 0.00 0.00 0.00 51.96 52.71 1b41 s ALA 231 Cb 0.00 0.18 1.27 0.00 0.00 0.00 0.00 23.12 24.58 1b41 s ALA 231 CO 0.00 -0.37 1.80 -1.00 0.00 0.00 0.00 175.76 176.19 1b41 h PRO 232 N 3.34 0.00 -0.65 0.00 0.13 -1.81 -2.67 132.00 130.34 1b41 h PRO 232 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1b41 h PRO 232 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1b41 h PRO 232 CO 0.41 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.45 1b41 n ASN 233 N -2.44 4.62 -4.80 1.44 6.94 -1.26 -4.63 115.26 115.13 1b41 n ASN 233 Ca -0.00 -2.47 -0.33 0.00 -0.02 0.00 0.00 54.58 51.75 1b41 n ASN 233 Cb 0.14 -0.58 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1b41 n ASN 233 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1b41 s GLY 234 N -0.84 2.29 0.00 4.83 0.00 -1.01 -4.90 107.32 107.68 1b41 s GLY 234 Ca 0.48 0.49 0.07 0.00 0.00 0.00 0.00 44.72 45.76 1b41 s GLY 234 CO 0.22 0.81 1.08 -1.55 0.00 0.00 0.00 173.10 173.66 1b41 n PRO 235 N -1.59 0.08 -0.00 2.90 -0.04 -1.26 -1.97 135.00 133.12 1b41 n PRO 235 Ca 0.09 0.24 0.05 0.00 -0.04 0.00 0.00 63.50 63.84 1b41 n PRO 235 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 1b41 n PRO 235 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1b41 n TRP 236 N -1.31 0.00 0.26 0.54 4.27 -1.26 -4.66 117.44 115.28 1b41 n TRP 236 Ca 0.03 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.74 1b41 n TRP 236 Cb 0.06 -0.23 0.70 0.00 -1.36 0.00 0.00 31.31 30.48 1b41 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1b41 h ALA 237 N 0.89 1.70 -2.64 -1.67 0.00 -1.69 -3.44 119.26 112.41 1b41 h ALA 237 Ca -0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 1b41 h ALA 237 Cb 0.45 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1b41 h ALA 237 CO 0.00 0.07 -0.38 0.95 0.00 0.00 0.00 179.25 179.89 1b41 s THR 238 N -4.74 0.04 0.07 0.00 -4.23 -1.26 -3.57 115.64 101.95 1b41 s THR 238 Ca -0.04 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1b41 s THR 238 Cb 0.16 -2.09 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 1b41 s THR 238 CO 0.63 -0.19 -0.06 0.54 -0.54 0.00 0.00 174.62 175.01 1b41 s VAL 239 N -4.03 0.48 0.57 2.29 0.11 -0.85 -4.98 120.40 113.99 1b41 s VAL 239 Ca 0.24 -1.63 -0.06 0.00 -2.93 0.00 0.00 61.98 57.59 1b41 s VAL 239 Cb 0.04 -1.29 -0.01 0.00 -1.53 0.00 0.00 36.38 33.59 1b41 s VAL 239 CO 0.05 -0.77 0.89 -0.83 -3.33 0.00 0.00 175.10 171.10 1b41 s GLY 240 N -2.57 1.58 0.28 6.54 0.00 -1.26 -2.72 107.32 109.17 1b41 s GLY 240 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 44.72 44.21 1b41 s GLY 240 CO -0.05 -0.31 1.78 -0.33 0.00 0.00 0.00 173.10 174.19 1b41 h MET 241 N -0.09 0.73 0.00 2.90 2.86 -1.96 0.15 114.93 119.51 1b41 h MET 241 Ca -0.46 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1b41 h MET 241 Cb 1.23 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1b41 h MET 241 CO 0.61 0.48 0.00 0.41 1.06 0.00 0.00 176.91 179.47 1b41 n GLY 242 N -1.33 -2.88 0.36 8.32 0.00 -1.26 -1.80 105.19 106.60 1b41 n GLY 242 Ca 0.20 0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.63 1b41 n GLY 242 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1b41 h GLU 243 N 0.00 0.52 -0.24 1.61 4.39 -1.91 -1.16 114.58 117.79 1b41 h GLU 243 Ca 0.00 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.73 1b41 h GLU 243 Cb 0.00 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.46 1b41 h GLU 243 CO 0.00 0.34 -0.25 0.00 -1.16 0.00 0.00 179.01 177.94 1b41 h ALA 244 N 1.71 -0.16 0.00 3.43 0.00 -0.43 0.11 119.26 123.93 1b41 h ALA 244 Ca 0.64 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1b41 h ALA 244 Cb 1.30 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1b41 h ALA 244 CO -0.44 -0.68 0.00 0.07 0.00 0.00 0.00 179.25 178.20 1b41 h ARG 245 N -0.26 0.00 -0.40 0.00 0.11 -0.45 -1.65 114.38 111.73 1b41 h ARG 245 Ca 0.13 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.10 1b41 h ARG 245 Cb 0.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.54 1b41 h ARG 245 CO -0.39 0.00 -0.22 -0.09 0.10 0.00 0.00 179.97 179.37 1b41 h ARG 246 N 0.00 0.79 0.07 0.08 2.43 -0.16 -0.92 114.38 116.67 1b41 h ARG 246 Ca 0.00 -0.32 -0.17 0.00 -0.81 0.00 0.00 59.98 58.68 1b41 h ARG 246 Cb 0.84 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1b41 h ARG 246 CO 0.00 0.93 -0.70 0.00 -1.51 0.00 0.00 179.97 178.69 1b41 h ARG 247 N 0.69 0.36 -0.80 0.20 3.08 -0.89 -2.93 114.38 114.10 1b41 h ARG 247 Ca 0.10 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1b41 h ARG 247 Cb 0.73 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.90 1b41 h ARG 247 CO 0.06 1.17 0.51 0.00 -1.07 0.00 0.00 179.97 180.63 1b41 h ALA 248 N 0.21 1.39 -0.11 0.04 0.00 -1.23 -1.03 119.26 118.53 1b41 h ALA 248 Ca -0.11 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1b41 h ALA 248 Cb 1.47 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1b41 h ALA 248 CO 0.14 0.55 -0.72 1.15 0.00 0.00 0.00 179.25 180.36 1b41 h THR 249 N 1.09 1.34 -0.28 0.00 2.02 -1.27 -2.48 112.91 113.34 1b41 h THR 249 Ca 0.29 -2.05 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 1b41 h THR 249 Cb -0.09 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1b41 h THR 249 CO -0.06 0.63 0.14 -0.61 0.37 0.00 0.00 175.52 175.99 1b41 h GLN 250 N 0.37 0.40 -0.32 6.66 4.15 -1.20 -0.36 115.11 124.81 1b41 h GLN 250 Ca -0.03 -0.05 0.04 0.00 0.77 0.00 0.00 58.65 59.37 1b41 h GLN 250 Cb 1.31 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.89 1b41 h GLN 250 CO 0.13 0.37 0.09 1.25 -1.93 0.00 0.00 178.83 178.74 1b41 h LEU 251 N 0.33 0.08 -0.71 -2.39 5.85 -1.16 -0.11 115.31 117.21 1b41 h LEU 251 Ca 0.10 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1b41 h LEU 251 Cb 0.09 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1b41 h LEU 251 CO -0.01 0.08 0.41 0.00 -0.34 0.00 0.00 178.44 178.58 1b41 h ALA 252 N 1.22 0.95 0.82 1.25 0.00 -1.12 -1.54 119.26 120.84 1b41 h ALA 252 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1b41 h ALA 252 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b41 h ALA 252 CO -0.16 0.12 -0.45 1.25 0.00 0.00 0.00 179.25 180.00 1b41 h HIS 253 N 0.76 -1.19 -0.67 0.00 -0.00 -0.26 0.55 115.15 114.34 1b41 h HIS 253 Ca 0.31 -0.02 0.20 0.00 -0.00 0.00 0.00 60.37 60.86 1b41 h HIS 253 Cb 0.16 0.41 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 1b41 h HIS 253 CO -0.06 -0.70 0.60 -0.07 -0.00 0.00 0.00 177.93 177.70 1b41 h LEU 254 N -1.18 0.00 -2.22 0.26 3.38 -0.82 0.26 115.31 115.00 1b41 h LEU 254 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1b41 h LEU 254 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1b41 h LEU 254 CO 0.15 0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.20 1b41 n VAL 255 N -3.89 0.35 -0.50 1.22 0.31 -0.60 -4.97 118.33 110.26 1b41 n VAL 255 Ca 0.14 -0.68 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 1b41 n VAL 255 Cb 0.85 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.93 1b41 n VAL 255 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b41 n GLY 256 N 1.47 0.77 3.28 2.92 0.00 0.08 -5.04 105.19 108.67 1b41 n GLY 256 Ca 0.18 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 1b41 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 n PRO 258 N 2.94 0.00 -2.16 0.00 -0.02 -1.26 -2.88 135.00 131.61 1b41 n PRO 258 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1b41 n PRO 258 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1b41 n PRO 258 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1b41 n ASN 265 N 0.00 -8.91 0.03 2.55 2.85 -1.26 -5.08 115.26 105.45 1b41 n ASN 265 Ca 0.00 1.59 -0.11 0.00 -0.11 0.00 0.00 54.58 55.95 1b41 n ASN 265 Cb 0.00 -4.90 -0.05 0.00 1.24 0.00 0.00 39.78 36.07 1b41 n ASN 265 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1b41 h ASP 266 N 4.01 -0.19 -0.50 1.20 3.32 -2.00 -1.95 116.42 120.30 1b41 h ASP 266 Ca 0.00 0.03 0.10 0.00 0.02 0.00 0.00 57.03 57.18 1b41 h ASP 266 Cb 0.00 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.55 1b41 h ASP 266 CO 0.00 -0.09 -0.02 0.74 -1.72 0.00 0.00 179.24 178.15 1b41 h THR 267 N -0.10 0.58 -0.32 0.35 2.02 -2.01 -1.00 112.91 112.42 1b41 h THR 267 Ca 0.04 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1b41 h THR 267 Cb 0.15 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1b41 h THR 267 CO -0.09 0.02 0.19 -0.33 0.37 0.00 0.00 175.52 175.68 1b41 h GLU 268 N 0.09 0.38 -0.10 6.66 3.07 -1.95 -0.21 114.58 122.52 1b41 h GLU 268 Ca 0.25 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 59.12 1b41 h GLU 268 Cb 0.39 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1b41 h GLU 268 CO -0.44 0.25 -0.09 1.25 -1.40 0.00 0.00 179.01 178.58 1b41 h LEU 269 N 0.39 -0.28 -0.09 1.33 5.85 -0.56 -2.34 115.31 119.61 1b41 h LEU 269 Ca 0.13 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1b41 h LEU 269 Cb -0.00 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1b41 h LEU 269 CO -0.06 -0.12 0.02 0.58 -0.34 0.00 0.00 178.44 178.52 1b41 h VAL 270 N -0.11 1.19 -0.71 1.05 2.07 -1.05 -0.89 116.25 117.81 1b41 h VAL 270 Ca 0.07 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.15 1b41 h VAL 270 Cb 0.21 1.43 -0.12 0.00 -1.52 0.00 0.00 31.29 31.29 1b41 h VAL 270 CO -0.17 0.17 0.04 0.00 0.02 0.00 0.00 177.57 177.64 1b41 h ALA 271 N 0.81 0.77 -0.09 1.67 0.00 -0.90 0.35 119.26 121.86 1b41 h ALA 271 Ca 0.03 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1b41 h ALA 271 Cb 0.25 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1b41 h ALA 271 CO 0.00 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 178.89 1b41 h LEU 273 N 0.01 0.70 -1.39 0.00 5.85 0.57 0.38 115.31 121.43 1b41 h LEU 273 Ca 0.03 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1b41 h LEU 273 Cb 0.14 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1b41 h LEU 273 CO -0.00 0.30 0.00 0.03 -0.34 0.00 0.00 178.44 178.43 1b41 h ARG 274 N 0.71 0.00 -0.00 1.25 3.08 0.07 -2.79 114.38 116.69 1b41 h ARG 274 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 1b41 h ARG 274 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1b41 h ARG 274 CO -0.28 0.00 -0.30 0.25 -1.07 0.00 0.00 179.97 178.57 1b41 n THR 275 N -2.76 0.00 -3.45 2.04 -2.24 0.13 -4.85 114.28 103.16 1b41 n THR 275 Ca 0.01 -0.07 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1b41 n THR 275 Cb 0.24 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.65 1b41 n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1b41 s ARG 276 N -2.67 3.87 0.53 -0.78 1.81 -1.05 -5.05 118.95 115.61 1b41 s ARG 276 Ca 0.21 0.34 -0.22 0.00 -1.72 0.00 0.00 55.73 54.34 1b41 s ARG 276 Cb 0.19 -2.91 -0.05 0.00 -0.45 0.00 0.00 34.95 31.72 1b41 s ARG 276 CO 0.57 0.48 1.35 -2.14 -0.68 0.00 0.00 175.30 174.88 1b41 s PRO 277 N -2.08 3.23 0.21 3.54 0.02 -1.26 -4.89 135.00 133.78 1b41 s PRO 277 Ca 0.38 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.52 1b41 s PRO 277 Cb -0.14 -2.30 0.31 0.00 0.02 0.00 0.00 34.50 32.39 1b41 s PRO 277 CO 0.19 -1.11 1.73 0.00 -0.33 0.00 0.00 177.00 177.48 1b41 h ALA 278 N 1.57 0.80 0.00 -1.55 0.00 -1.97 -1.20 119.26 116.91 1b41 h ALA 278 Ca -0.51 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1b41 h ALA 278 Cb 1.29 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1b41 h ALA 278 CO 0.58 -0.24 -0.27 0.37 0.00 0.00 0.00 179.25 179.69 1b41 h GLN 279 N 0.35 0.00 -0.58 0.00 4.15 -1.99 -2.09 115.11 114.96 1b41 h GLN 279 Ca 0.33 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.66 1b41 h GLN 279 Cb 0.45 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1b41 h GLN 279 CO -0.36 0.27 0.01 0.28 -1.93 0.00 0.00 178.83 177.10 1b41 h VAL 280 N 0.00 1.26 -0.16 2.39 2.07 -1.58 0.13 116.25 120.36 1b41 h VAL 280 Ca -0.00 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1b41 h VAL 280 Cb 0.53 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1b41 h VAL 280 CO 0.04 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.96 1b41 h LEU 281 N 0.91 0.28 -1.86 2.57 3.38 -1.18 -2.58 115.31 116.83 1b41 h LEU 281 Ca 0.17 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1b41 h LEU 281 Cb 0.54 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1b41 h LEU 281 CO 0.03 0.51 -0.01 0.58 0.09 0.00 0.00 178.44 179.64 1b41 h VAL 282 N 0.03 1.05 -0.95 1.22 2.07 -1.20 -1.95 116.25 116.51 1b41 h VAL 282 Ca 0.05 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1b41 h VAL 282 Cb 0.37 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 1b41 h VAL 282 CO 0.01 0.06 0.60 0.78 0.02 0.00 0.00 177.57 179.04 1b41 h ASN 283 N 0.07 0.95 -0.54 0.57 2.35 -0.31 -2.84 115.58 115.84 1b41 h ASN 283 Ca 0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1b41 h ASN 283 Cb 0.07 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1b41 h ASN 283 CO 0.00 0.60 0.00 1.41 -1.65 0.00 0.00 177.43 177.79 1b41 n HIS 284 N -4.56 0.71 -0.12 1.19 8.25 -0.78 -4.66 115.22 115.25 1b41 n HIS 284 Ca 0.15 -0.39 -0.05 0.00 -0.26 0.00 0.00 57.72 57.17 1b41 n HIS 284 Cb 0.20 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.32 1b41 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1b41 h GLU 285 N 4.07 -0.04 0.00 -0.41 4.81 -1.19 -2.60 114.58 119.22 1b41 h GLU 285 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b41 h GLU 285 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.34 1b41 h GLU 285 CO 0.00 -0.03 0.00 -1.49 -0.73 0.00 0.00 179.01 176.76 1b41 h TRP 286 N -0.05 0.00 -0.33 0.92 4.06 -1.83 -3.28 115.95 115.45 1b41 h TRP 286 Ca 0.20 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.14 1b41 h TRP 286 Cb 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 1b41 h TRP 286 CO -0.39 0.00 0.17 0.45 -3.56 0.00 0.00 178.44 175.12 1b41 h HIS 287 N 0.00 0.46 0.00 0.49 3.86 -1.79 -2.99 115.15 115.18 1b41 h HIS 287 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1b41 h HIS 287 Cb 0.56 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1b41 h HIS 287 CO 0.00 0.38 0.00 1.33 0.86 0.00 0.00 177.93 180.50 1b41 n VAL 288 N -4.77 0.38 -2.53 2.45 0.24 -1.24 -4.72 118.33 108.14 1b41 n VAL 288 Ca -0.01 0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 1b41 n VAL 288 Cb 0.09 -1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 31.40 1b41 n VAL 288 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1b41 s LEU 289 N -2.22 4.16 -0.75 1.34 2.96 -1.13 -4.78 118.68 118.26 1b41 s LEU 289 Ca 0.05 1.56 -0.26 0.00 -0.22 0.00 0.00 54.13 55.26 1b41 s LEU 289 Cb 0.03 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.06 1b41 s LEU 289 CO 0.05 -0.70 2.34 -2.84 -1.32 0.00 0.00 176.35 173.88 1b41 s PRO 290 N 3.24 1.81 0.00 0.98 0.02 -1.26 -4.82 135.00 134.97 1b41 s PRO 290 Ca 0.50 0.54 0.00 0.00 0.02 0.00 0.00 61.00 62.06 1b41 s PRO 290 Cb -0.19 -4.78 0.00 0.00 0.02 0.00 0.00 34.50 29.56 1b41 s PRO 290 CO 0.12 -4.11 0.00 1.04 -0.33 0.00 0.00 177.00 173.72 1b41 n GLN 291 N 8.87 0.00 -3.10 5.54 3.00 -1.26 -4.82 117.38 125.61 1b41 n GLN 291 Ca 0.44 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1b41 n GLN 291 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.69 1b41 n GLN 291 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1b41 n GLU 292 N 0.00 -1.07 -3.61 -1.09 1.02 -1.26 -4.89 120.64 109.73 1b41 n GLU 292 Ca 0.00 1.18 0.04 0.00 -0.02 0.00 0.00 57.16 58.35 1b41 n GLU 292 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1b41 n GLU 292 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1b41 s SER 293 N -0.45 -0.01 0.00 1.62 1.04 -1.26 -4.67 113.70 109.98 1b41 s SER 293 Ca -0.01 -0.02 -0.00 0.00 0.48 0.00 0.00 55.95 56.40 1b41 s SER 293 Cb 0.00 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.14 1b41 s SER 293 CO 0.05 -0.04 -0.00 0.54 0.98 0.00 0.00 173.24 174.77 1b41 s VAL 294 N -2.05 0.04 -0.48 5.02 0.11 -0.98 -4.85 120.40 117.21 1b41 s VAL 294 Ca 0.17 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1b41 s VAL 294 Cb 0.07 -0.11 0.00 0.00 -1.53 0.00 0.00 36.38 34.81 1b41 s VAL 294 CO -0.06 -0.17 0.40 0.33 -3.33 0.00 0.00 175.10 172.27 1b41 n PHE 295 N 2.56 -0.92 -3.80 1.54 -0.00 -1.26 -4.86 117.46 110.73 1b41 n PHE 295 Ca -0.16 0.37 -0.13 0.00 -0.00 0.00 0.00 57.45 57.53 1b41 n PHE 295 Cb 0.58 -3.01 -0.13 0.00 -0.00 0.00 0.00 39.48 36.92 1b41 n PHE 295 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1b41 s ARG 296 N -4.79 0.15 0.04 -4.13 1.81 -1.26 -4.72 118.95 106.04 1b41 s ARG 296 Ca 0.06 0.26 0.07 0.00 -1.72 0.00 0.00 55.73 54.40 1b41 s ARG 296 Cb -0.03 0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.46 1b41 s ARG 296 CO 0.28 -0.06 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.59 1b41 s PHE 297 N 0.42 1.65 0.05 -0.53 0.08 -1.26 -5.09 117.98 113.29 1b41 s PHE 297 Ca -0.03 -0.36 -0.20 0.00 0.12 0.00 0.00 56.93 56.46 1b41 s PHE 297 Cb -0.04 -0.99 -0.10 0.00 -0.57 0.00 0.00 43.02 41.32 1b41 s PHE 297 CO -0.02 0.07 1.31 0.77 -0.10 0.00 0.00 175.22 177.25 1b41 h SER 298 N 4.96 -0.77 -3.46 1.36 0.02 -1.90 -3.41 113.55 110.35 1b41 h SER 298 Ca -0.41 0.06 -0.65 0.00 -0.84 0.00 0.00 61.79 59.95 1b41 h SER 298 Cb 1.16 0.25 -0.25 0.00 0.14 0.00 0.00 62.40 63.70 1b41 h SER 298 CO 0.44 -0.38 -0.69 -0.36 -1.14 0.00 0.00 176.83 174.70 1b41 s PHE 299 N -4.59 3.00 0.20 3.45 0.08 -1.26 -4.98 117.98 113.88 1b41 s PHE 299 Ca -0.10 -0.69 0.04 0.00 0.12 0.00 0.00 56.93 56.30 1b41 s PHE 299 Cb 0.02 -2.13 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1b41 s PHE 299 CO 0.33 -0.42 0.17 1.33 -0.10 0.00 0.00 175.22 176.54 1b41 n VAL 300 N 4.67 0.00 -1.78 -0.44 0.24 -1.26 -4.59 118.33 115.17 1b41 n VAL 300 Ca -0.17 -1.44 -0.39 0.00 -2.04 0.00 0.00 64.34 60.29 1b41 n VAL 300 Cb 0.51 0.73 0.03 0.00 -1.47 0.00 0.00 33.84 33.64 1b41 n VAL 300 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1b41 s PRO 301 N -2.80 3.36 -0.06 7.34 0.02 -1.23 -4.78 135.00 136.85 1b41 s PRO 301 Ca 0.24 2.33 0.02 0.00 0.02 0.00 0.00 61.00 63.60 1b41 s PRO 301 Cb 0.01 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 32.08 1b41 s PRO 301 CO 0.17 -1.05 -0.09 0.08 -0.33 0.00 0.00 177.00 175.78 1b41 s VAL 302 N -1.25 3.50 -0.73 3.83 1.01 -1.26 -2.01 120.40 123.49 1b41 s VAL 302 Ca 0.67 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1b41 s VAL 302 Cb -0.42 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1b41 s VAL 302 CO 0.52 0.59 0.98 -0.69 0.00 0.00 0.00 175.10 176.50 1b41 s VAL 303 N -0.75 4.51 -0.38 2.92 1.01 -1.10 -4.69 120.40 121.91 1b41 s VAL 303 Ca 0.11 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1b41 s VAL 303 Cb -0.11 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.54 1b41 s VAL 303 CO 0.01 -1.43 0.33 -0.90 0.00 0.00 0.00 175.10 173.12 1b41 n ASP 304 N 7.19 0.52 0.00 3.32 5.75 -1.26 -3.98 116.55 128.09 1b41 n ASP 304 Ca 0.04 -0.76 0.00 0.00 -0.01 0.00 0.00 54.79 54.06 1b41 n ASP 304 Cb 0.46 0.81 0.00 0.00 -1.03 0.00 0.00 41.12 41.36 1b41 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b41 n GLY 305 N 0.99 3.42 0.00 6.12 0.00 0.07 -4.95 105.19 110.83 1b41 n GLY 305 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1b41 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b41 n ASP 306 N 0.01 0.00 -0.30 1.61 -0.08 -1.26 -3.61 116.55 112.92 1b41 n ASP 306 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1b41 n ASP 306 Cb 0.00 0.00 0.24 0.00 2.34 0.00 0.00 41.12 43.70 1b41 n ASP 306 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1b41 h PHE 307 N 0.00 0.76 -3.57 -0.67 3.04 -1.92 -3.32 116.94 111.25 1b41 h PHE 307 Ca 0.00 0.04 -0.63 0.00 3.98 0.00 0.00 57.97 61.35 1b41 h PHE 307 Cb 0.00 -0.20 -0.37 0.00 2.56 0.00 0.00 35.95 37.94 1b41 h PHE 307 CO 0.00 0.14 -0.80 -0.51 -2.02 0.00 0.00 178.31 175.12 1b41 s LEU 308 N -10.38 2.66 0.55 0.59 1.43 -1.26 -4.61 118.68 107.65 1b41 s LEU 308 Ca -0.12 -1.08 0.35 0.00 -1.03 0.00 0.00 54.13 52.25 1b41 s LEU 308 Cb 0.22 -1.32 1.59 0.00 0.03 0.00 0.00 46.19 46.72 1b41 s LEU 308 CO 0.78 -0.17 2.05 0.77 0.23 0.00 0.00 176.35 180.01 1b41 h SER 309 N 7.91 0.00 -5.15 2.29 4.64 -1.67 0.22 113.55 121.79 1b41 h SER 309 Ca -0.24 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.05 1b41 h SER 309 Cb 1.08 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.11 1b41 h SER 309 CO 0.47 0.00 0.05 -0.62 -0.87 0.00 0.00 176.83 175.86 1b41 s ASP 310 N -5.38 -0.03 0.70 4.97 -1.08 -1.26 -4.47 116.67 110.11 1b41 s ASP 310 Ca -0.00 -0.92 -0.16 0.00 -0.52 0.00 0.00 52.55 50.95 1b41 s ASP 310 Cb 0.10 0.68 0.01 0.00 -1.46 0.00 0.00 42.92 42.25 1b41 s ASP 310 CO 0.49 -1.31 1.13 0.35 0.52 0.00 0.00 175.17 176.34 1b41 n THR 311 N -0.45 3.58 -0.24 1.71 -2.24 -1.26 -4.74 114.28 110.64 1b41 n THR 311 Ca -0.03 -0.40 0.09 0.00 -2.27 0.00 0.00 64.05 61.43 1b41 n THR 311 Cb 0.61 -1.27 0.35 0.00 -2.10 0.00 0.00 70.33 67.91 1b41 n THR 311 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1b41 h PRO 312 N -0.01 0.75 -0.08 -0.78 0.11 -1.98 -1.56 132.00 128.44 1b41 h PRO 312 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1b41 h PRO 312 Cb 1.33 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b41 h PRO 312 CO 0.49 0.50 0.05 1.49 -0.21 0.00 0.00 178.00 180.32 1b41 h GLU 313 N 0.77 0.11 -0.36 1.05 4.81 -1.89 0.22 114.58 119.29 1b41 h GLU 313 Ca 0.39 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.68 1b41 h GLU 313 Cb 0.47 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1b41 h GLU 313 CO -0.16 0.12 -0.03 0.00 -0.73 0.00 0.00 179.01 178.21 1b41 h ALA 314 N 0.99 0.29 0.01 2.92 0.00 -1.65 -2.69 119.26 119.13 1b41 h ALA 314 Ca 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1b41 h ALA 314 Cb 0.03 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b41 h ALA 314 CO -0.01 -0.42 -0.01 -0.07 0.00 0.00 0.00 179.25 178.74 1b41 h LEU 315 N 0.06 -0.01 -2.10 0.00 3.38 -0.99 -2.35 115.31 113.30 1b41 h LEU 315 Ca 0.17 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1b41 h LEU 315 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1b41 h LEU 315 CO -0.32 0.15 0.31 0.40 0.09 0.00 0.00 178.44 179.07 1b41 h ILE 316 N -0.17 0.12 0.01 1.22 2.04 -0.35 0.16 117.51 120.54 1b41 h ILE 316 Ca -0.00 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.51 1b41 h ILE 316 Cb 0.17 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1b41 h ILE 316 CO 0.00 0.00 -2.16 0.59 0.00 0.00 0.00 178.15 176.58 1b41 n ASN 317 N -3.15 0.75 0.12 1.72 3.02 -1.04 -4.40 115.26 112.28 1b41 n ASN 317 Ca 0.00 0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.79 1b41 n ASN 317 Cb 0.40 0.30 0.06 0.00 -0.61 0.00 0.00 39.78 39.92 1b41 n ASN 317 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b41 h ALA 318 N 0.77 0.60 -2.52 5.41 0.00 -0.82 -3.48 119.26 119.21 1b41 h ALA 318 Ca -0.46 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 1b41 h ALA 318 Cb 2.11 0.00 0.09 0.00 0.00 0.00 0.00 17.79 19.99 1b41 h ALA 318 CO 0.03 0.00 0.40 0.20 0.00 0.00 0.00 179.25 179.88 1b41 s GLY 319 N -4.23 2.35 -0.28 0.00 0.00 0.50 -5.03 107.32 100.63 1b41 s GLY 319 Ca 0.02 0.67 -0.07 0.00 0.00 0.00 0.00 44.72 45.34 1b41 s GLY 319 CO 0.76 1.02 0.07 -0.35 0.00 0.00 0.00 173.10 174.61 1b41 s ASP 320 N -2.25 5.09 -0.25 1.64 -1.08 -1.26 -4.95 116.67 113.62 1b41 s ASP 320 Ca 0.69 -0.62 0.13 0.00 -0.52 0.00 0.00 52.55 52.24 1b41 s ASP 320 Cb -0.22 -1.88 0.68 0.00 -1.46 0.00 0.00 42.92 40.04 1b41 s ASP 320 CO 0.36 -0.16 1.64 0.49 0.52 0.00 0.00 175.17 178.01 1b41 n PHE 321 N 4.87 1.73 -1.43 -5.34 3.72 -0.68 -5.01 117.46 115.32 1b41 n PHE 321 Ca -0.15 -0.98 -0.35 0.00 -0.05 0.00 0.00 57.45 55.92 1b41 n PHE 321 Cb 0.49 -0.49 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 1b41 n PHE 321 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1b41 n HIS 322 N -0.12 1.53 -3.23 1.38 8.25 -1.16 -3.33 115.22 118.53 1b41 n HIS 322 Ca 0.30 0.41 -0.15 0.00 -0.26 0.00 0.00 57.72 58.02 1b41 n HIS 322 Cb 1.14 -2.18 0.07 0.00 1.12 0.00 0.00 29.99 30.14 1b41 n HIS 322 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1b41 n GLY 323 N 0.78 -0.24 3.58 -1.41 0.00 -1.25 -4.97 105.19 101.68 1b41 n GLY 323 Ca 0.15 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1b41 n GLY 323 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b41 s LEU 324 N -5.75 -0.71 -0.09 0.99 0.20 -1.21 -5.05 118.68 107.06 1b41 s LEU 324 Ca 0.06 1.39 0.03 0.00 0.69 0.00 0.00 54.13 56.30 1b41 s LEU 324 Cb -0.03 2.24 -0.01 0.00 -0.43 0.00 0.00 46.19 47.96 1b41 s LEU 324 CO 0.61 -0.23 -0.19 -1.10 -0.29 0.00 0.00 176.35 175.16 1b41 s GLN 325 N 1.14 2.93 -0.02 1.98 1.11 -1.26 -1.77 119.66 123.78 1b41 s GLN 325 Ca -0.06 -0.78 0.03 0.00 0.01 0.00 0.00 55.36 54.56 1b41 s GLN 325 Cb -0.05 -2.39 -0.01 0.00 -1.01 0.00 0.00 33.01 29.55 1b41 s GLN 325 CO -0.11 0.33 -0.11 0.08 0.01 0.00 0.00 175.29 175.48 1b41 s VAL 326 N 0.01 0.93 -0.23 1.09 1.01 0.15 -2.75 120.40 120.61 1b41 s VAL 326 Ca -0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1b41 s VAL 326 Cb -0.15 -0.79 0.02 0.00 0.00 0.00 0.00 36.38 35.46 1b41 s VAL 326 CO 0.05 0.27 -0.11 -0.22 0.00 0.00 0.00 175.10 175.09 1b41 s LEU 327 N -0.12 2.87 0.18 3.92 2.96 0.10 -1.89 118.68 126.70 1b41 s LEU 327 Ca 0.02 -0.81 0.09 0.00 -0.22 0.00 0.00 54.13 53.20 1b41 s LEU 327 Cb -0.06 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1b41 s LEU 327 CO -0.00 -0.08 -0.18 0.68 -1.32 0.00 0.00 176.35 175.45 1b41 s VAL 328 N 1.31 1.89 -0.12 1.68 -7.23 -0.38 -0.43 120.40 117.12 1b41 s VAL 328 Ca 0.01 -2.02 -0.33 0.00 -1.81 0.00 0.00 61.98 57.83 1b41 s VAL 328 Cb -0.16 -1.93 0.14 0.00 0.56 0.00 0.00 36.38 34.99 1b41 s VAL 328 CO -0.07 -0.36 1.36 -0.83 -0.31 0.00 0.00 175.10 174.89 1b41 s GLY 329 N -2.85 -0.40 0.34 2.32 0.00 -0.84 -2.29 107.32 103.60 1b41 s GLY 329 Ca 0.18 1.12 0.04 0.00 0.00 0.00 0.00 44.72 46.06 1b41 s GLY 329 CO 0.07 0.28 0.16 -1.34 0.00 0.00 0.00 173.10 172.28 1b41 s VAL 330 N -2.19 0.41 0.25 1.40 -7.23 -0.92 0.07 120.40 112.19 1b41 s VAL 330 Ca 0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1b41 s VAL 330 Cb 0.04 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1b41 s VAL 330 CO -0.05 0.00 0.19 0.68 -0.31 0.00 0.00 175.10 175.61 1b41 s VAL 331 N -3.43 4.43 0.22 1.32 -7.23 -1.26 -0.68 120.40 113.76 1b41 s VAL 331 Ca 0.32 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.94 1b41 s VAL 331 Cb 0.04 -3.39 0.24 0.00 0.56 0.00 0.00 36.38 33.83 1b41 s VAL 331 CO 0.18 -0.34 1.60 0.50 -0.31 0.00 0.00 175.10 176.73 1b41 h LYS 332 N 1.53 -0.05 -2.86 4.82 3.11 -1.10 -3.27 116.57 118.76 1b41 h LYS 332 Ca -0.48 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.75 1b41 h LYS 332 Cb 1.24 0.01 -0.41 0.00 -1.00 0.00 0.00 32.23 32.07 1b41 h LYS 332 CO 0.61 -0.03 -0.64 -0.25 -2.81 0.00 0.00 179.45 176.32 1b41 n ASP 333 N -5.47 2.55 -0.06 4.20 8.00 -0.56 -4.95 116.55 120.25 1b41 n ASP 333 Ca 0.08 -3.11 -0.02 0.00 0.71 0.00 0.00 54.79 52.45 1b41 n ASP 333 Cb 0.37 -0.72 0.24 0.00 -0.02 0.00 0.00 41.12 40.99 1b41 n ASP 333 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1b41 h GLU 334 N 5.26 0.68 0.12 -1.24 4.39 -1.76 -3.25 114.58 118.78 1b41 h GLU 334 Ca 0.17 -0.15 -0.29 0.00 0.34 0.00 0.00 59.36 59.44 1b41 h GLU 334 Cb 0.77 -0.10 0.03 0.00 -0.10 0.00 0.00 28.75 29.35 1b41 h GLU 334 CO 0.68 0.66 -1.19 0.78 -1.16 0.00 0.00 179.01 178.77 1b41 h GLY 335 N 0.90 0.67 -0.55 -3.84 0.00 -1.86 -3.37 103.07 95.02 1b41 h GLY 335 Ca 0.14 -1.41 0.05 0.00 0.00 0.00 0.00 47.33 46.11 1b41 h GLY 335 CO 0.01 1.24 -0.32 -1.14 0.00 0.00 0.00 176.54 176.32 1b41 n SER 336 N -3.84 -0.58 -0.33 0.19 3.41 -1.25 -2.20 113.62 109.01 1b41 n SER 336 Ca -0.14 1.03 -0.07 0.00 -0.26 0.00 0.00 58.87 59.43 1b41 n SER 336 Cb 0.96 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 1b41 n SER 336 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b41 n TYR 337 N -4.57 -0.26 0.25 7.33 9.36 -1.26 -1.83 117.16 126.19 1b41 n TYR 337 Ca 0.01 1.01 0.11 0.00 3.32 0.00 0.00 57.90 62.35 1b41 n TYR 337 Cb 0.14 -0.63 0.67 0.00 -0.63 0.00 0.00 39.34 38.90 1b41 n TYR 337 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1b41 h PHE 338 N 0.00 0.00 -0.43 2.98 -1.00 -1.74 -3.25 116.94 113.50 1b41 h PHE 338 Ca 0.17 0.00 0.08 0.00 2.81 0.00 0.00 57.97 61.02 1b41 h PHE 338 Cb 0.37 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1b41 h PHE 338 CO -0.80 0.14 0.30 -0.07 -1.61 0.00 0.00 178.31 176.27 1b41 h LEU 339 N 0.00 0.23 0.00 1.54 3.38 -1.45 -1.78 115.31 117.23 1b41 h LEU 339 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b41 h LEU 339 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1b41 h LEU 339 CO 0.02 0.15 0.00 1.33 0.09 0.00 0.00 178.44 180.03 1b41 n VAL 340 N -4.47 0.00 -0.90 1.22 0.24 -1.23 -1.28 118.33 111.91 1b41 n VAL 340 Ca 0.06 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.44 1b41 n VAL 340 Cb 0.31 -0.58 0.35 0.00 -1.47 0.00 0.00 33.84 32.45 1b41 n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1b41 n TYR 341 N -0.86 1.65 0.00 6.34 4.01 -0.67 -4.84 117.16 122.79 1b41 n TYR 341 Ca 0.10 -0.77 0.00 0.00 -0.16 0.00 0.00 57.90 57.07 1b41 n TYR 341 Cb 0.04 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 38.65 1b41 n TYR 341 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b41 n GLY 342 N 0.29 0.73 3.62 2.72 0.00 -1.10 -4.99 105.19 106.45 1b41 n GLY 342 Ca 0.25 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1b41 n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 n ALA 343 N 0.00 1.66 -1.59 4.61 0.00 -0.41 -4.87 120.51 119.92 1b41 n ALA 343 Ca 0.00 -0.07 -0.50 0.00 0.00 0.00 0.00 53.44 52.87 1b41 n ALA 343 Cb 0.00 -2.81 -0.05 0.00 0.00 0.00 0.00 19.45 16.59 1b41 n ALA 343 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b41 n PRO 344 N 8.26 1.21 -0.84 0.00 -0.04 -1.26 -1.48 135.00 140.84 1b41 n PRO 344 Ca 0.27 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1b41 n PRO 344 Cb 0.42 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1b41 n PRO 344 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b41 n GLY 345 N 2.20 0.91 3.88 0.55 0.00 -1.26 -4.81 105.19 106.66 1b41 n GLY 345 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1b41 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b41 s PHE 346 N -3.64 3.59 -0.03 1.61 0.08 -0.55 -4.42 117.98 114.62 1b41 s PHE 346 Ca 0.00 0.50 -0.30 0.00 0.12 0.00 0.00 56.93 57.25 1b41 s PHE 346 Cb 0.00 -1.92 0.11 0.00 -0.57 0.00 0.00 43.02 40.64 1b41 s PHE 346 CO 0.00 0.72 0.98 0.45 -0.10 0.00 0.00 175.22 177.27 1b41 s SER 347 N -1.19 -0.28 0.18 1.36 0.15 -1.26 -4.70 113.70 107.96 1b41 s SER 347 Ca 0.17 -0.04 0.23 0.00 0.70 0.00 0.00 55.95 57.01 1b41 s SER 347 Cb -0.12 0.33 0.15 0.00 -1.71 0.00 0.00 66.02 64.67 1b41 s SER 347 CO 0.07 -0.55 1.18 0.07 1.20 0.00 0.00 173.24 175.21 1b41 h LYS 348 N 2.00 0.00 0.00 5.44 2.10 -1.98 -3.36 116.57 120.77 1b41 h LYS 348 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 1b41 h LYS 348 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1b41 h LYS 348 CO 0.28 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.48 1b41 n ASP 349 N -2.48 0.69 -0.39 7.07 8.00 -1.26 -4.58 116.55 123.60 1b41 n ASP 349 Ca 0.01 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.09 1b41 n ASP 349 Cb 0.50 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1b41 n ASP 349 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b41 n ASN 350 N -2.16 0.01 -1.74 -2.24 0.23 -1.26 -5.06 115.26 103.05 1b41 n ASN 350 Ca 0.05 -0.39 0.06 0.00 -0.53 0.00 0.00 54.58 53.78 1b41 n ASN 350 Cb 0.39 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.45 1b41 n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1b41 n GLU 351 N 0.00 4.45 -4.09 -3.83 1.02 -1.26 -4.81 120.64 112.12 1b41 n GLU 351 Ca 0.00 -2.81 -0.33 0.00 -0.02 0.00 0.00 57.16 54.00 1b41 n GLU 351 Cb 0.00 -2.17 -0.07 0.00 -0.02 0.00 0.00 31.44 29.17 1b41 n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1b41 n SER 352 N 0.59 -0.72 -4.58 1.62 7.64 -1.26 -4.79 113.62 112.12 1b41 n SER 352 Ca 0.25 -1.08 -0.35 0.00 1.01 0.00 0.00 58.87 58.71 1b41 n SER 352 Cb 1.09 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1b41 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1b41 s LEU 353 N -6.48 3.39 0.90 -3.43 2.01 -1.26 -4.74 118.68 109.07 1b41 s LEU 353 Ca 0.46 -1.96 -0.11 0.00 0.01 0.00 0.00 54.13 52.53 1b41 s LEU 353 Cb -0.27 -2.58 0.13 0.00 0.01 0.00 0.00 46.19 43.48 1b41 s LEU 353 CO 0.87 -2.24 1.10 0.27 1.01 0.00 0.00 176.35 177.37 1b41 s ILE 354 N 8.01 2.57 0.13 -0.59 -4.36 -1.26 -4.89 121.20 120.82 1b41 s ILE 354 Ca 0.62 0.19 0.02 0.00 -0.26 0.00 0.00 60.65 61.22 1b41 s ILE 354 Cb 0.01 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.23 1b41 s ILE 354 CO 0.10 -0.24 0.24 -0.94 0.24 0.00 0.00 174.94 174.34 1b41 s SER 355 N -3.05 6.22 0.53 4.36 1.04 -1.26 -4.13 113.70 117.41 1b41 s SER 355 Ca 0.64 0.15 0.38 0.00 0.48 0.00 0.00 55.95 57.60 1b41 s SER 355 Cb -0.20 -1.85 1.56 0.00 0.10 0.00 0.00 66.02 65.63 1b41 s SER 355 CO 0.58 0.08 1.74 -0.09 0.98 0.00 0.00 173.24 176.53 1b41 h ARG 356 N 2.40 0.03 0.00 4.02 9.65 -1.88 0.32 114.38 128.92 1b41 h ARG 356 Ca -0.48 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.40 1b41 h ARG 356 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1b41 h ARG 356 CO 0.69 0.02 -0.00 0.00 2.80 0.00 0.00 179.97 183.48 1b41 h ALA 357 N 1.35 -0.01 -0.60 2.80 0.00 -1.98 -2.24 119.26 118.58 1b41 h ALA 357 Ca 0.67 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1b41 h ALA 357 Cb 2.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.33 1b41 h ALA 357 CO -0.05 -0.30 0.29 0.93 0.00 0.00 0.00 179.25 180.12 1b41 h GLU 358 N -0.42 0.87 0.02 0.00 5.08 -0.81 -2.49 114.58 116.83 1b41 h GLU 358 Ca -0.00 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1b41 h GLU 358 Cb 0.42 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1b41 h GLU 358 CO 0.00 0.70 -0.26 0.35 -1.00 0.00 0.00 179.01 178.80 1b41 h PHE 359 N 0.82 -0.70 -0.44 4.33 3.57 -1.03 0.40 116.94 123.90 1b41 h PHE 359 Ca 0.21 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1b41 h PHE 359 Cb 0.11 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1b41 h PHE 359 CO -0.00 -0.35 0.29 -0.07 -2.23 0.00 0.00 178.31 175.95 1b41 h LEU 360 N -0.41 0.40 -0.28 0.59 3.38 -1.22 -0.20 115.31 117.57 1b41 h LEU 360 Ca 0.06 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 1b41 h LEU 360 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1b41 h LEU 360 CO -0.22 0.28 -0.87 0.00 0.09 0.00 0.00 178.44 177.72 1b41 h ALA 361 N 1.75 0.51 0.00 1.53 0.00 -0.92 -3.13 119.26 119.00 1b41 h ALA 361 Ca 0.18 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1b41 h ALA 361 Cb 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b41 h ALA 361 CO -0.04 0.88 -0.31 0.78 0.00 0.00 0.00 179.25 180.56 1b41 h GLY 362 N 1.69 0.00 1.89 0.00 0.00 0.15 -2.57 103.07 104.23 1b41 h GLY 362 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1b41 h GLY 362 CO 0.14 0.00 -0.14 -2.08 0.00 0.00 0.00 176.54 174.46 1b41 h VAL 363 N 0.00 1.15 -0.00 4.60 2.07 -1.16 0.39 116.25 123.31 1b41 h VAL 363 Ca -0.00 -0.68 -0.20 0.00 0.82 0.00 0.00 66.70 66.64 1b41 h VAL 363 Cb 0.71 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1b41 h VAL 363 CO 0.04 0.21 -0.87 0.03 0.02 0.00 0.00 177.57 177.00 1b41 h ARG 364 N 0.13 0.21 0.04 1.57 2.47 -1.57 -1.57 114.38 115.66 1b41 h ARG 364 Ca 0.03 -0.23 -0.27 0.00 -1.26 0.00 0.00 59.98 58.25 1b41 h ARG 364 Cb 0.33 0.06 0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1b41 h ARG 364 CO 0.02 0.95 -1.09 -0.39 0.56 0.00 0.00 179.97 180.03 1b41 h VAL 365 N 0.12 1.31 0.00 2.04 -1.51 -1.36 -3.18 116.25 113.67 1b41 h VAL 365 Ca -0.04 -2.37 0.00 0.00 -1.23 0.00 0.00 66.70 63.05 1b41 h VAL 365 Cb 1.49 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 33.14 1b41 h VAL 365 CO 0.13 0.72 0.00 0.61 -1.23 0.00 0.00 177.57 177.81 1b41 n GLY 366 N 1.15 -1.28 2.33 5.19 0.00 0.08 -2.31 105.19 110.34 1b41 n GLY 366 Ca -0.11 -0.10 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 1b41 n GLY 366 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b41 n VAL 367 N -1.41 -0.99 -0.87 1.61 0.31 -0.59 -4.61 118.33 111.78 1b41 n VAL 367 Ca 0.09 -3.65 -0.33 0.00 -0.01 0.00 0.00 64.34 60.44 1b41 n VAL 367 Cb 0.26 -1.76 0.14 0.00 -0.91 0.00 0.00 33.84 31.56 1b41 n VAL 367 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1b41 n PRO 368 N 2.33 -0.18 -3.23 5.55 -0.04 -1.23 -4.23 135.00 133.97 1b41 n PRO 368 Ca 0.27 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.58 1b41 n PRO 368 Cb 0.49 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1b41 n PRO 368 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b41 n GLN 369 N -3.05 -0.96 -3.85 0.54 0.00 -1.26 -4.98 117.38 103.83 1b41 n GLN 369 Ca 0.11 0.48 -0.12 0.00 0.00 0.00 0.00 57.00 57.47 1b41 n GLN 369 Cb 0.52 -1.33 -0.10 0.00 0.00 0.00 0.00 30.24 29.33 1b41 n GLN 369 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1b41 s VAL 370 N -2.46 0.07 0.88 -0.39 0.11 -1.26 -5.16 120.40 112.18 1b41 s VAL 370 Ca 0.02 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 1b41 s VAL 370 Cb -0.00 -0.41 0.12 0.00 -1.53 0.00 0.00 36.38 34.56 1b41 s VAL 370 CO 0.54 -0.30 1.10 -0.94 -3.33 0.00 0.00 175.10 172.18 1b41 s SER 371 N -1.08 3.49 0.31 3.54 1.04 -1.26 -4.84 113.70 114.90 1b41 s SER 371 Ca -0.12 1.75 -0.00 0.00 0.48 0.00 0.00 55.95 58.06 1b41 s SER 371 Cb -0.06 -2.38 0.49 0.00 0.10 0.00 0.00 66.02 64.17 1b41 s SER 371 CO 0.01 -2.67 1.94 0.44 0.98 0.00 0.00 173.24 173.95 1b41 h ASP 372 N -1.57 0.83 0.33 7.02 5.19 -2.01 -1.47 116.42 124.74 1b41 h ASP 372 Ca -0.47 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 55.77 1b41 h ASP 372 Cb 1.27 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1b41 h ASP 372 CO 0.50 0.66 -0.47 0.25 -3.12 0.00 0.00 179.24 177.06 1b41 h LEU 373 N 0.95 0.19 -0.48 1.55 5.85 -1.99 -2.19 115.31 119.19 1b41 h LEU 373 Ca 0.25 -0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1b41 h LEU 373 Cb -0.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1b41 h LEU 373 CO -0.04 0.64 -0.06 0.00 -0.34 0.00 0.00 178.44 178.64 1b41 h ALA 374 N 1.37 0.65 -0.17 1.25 0.00 -1.65 -2.21 119.26 118.50 1b41 h ALA 374 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1b41 h ALA 374 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1b41 h ALA 374 CO 0.07 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.90 1b41 h ALA 375 N 0.90 0.22 -0.48 0.00 0.00 -1.12 -1.51 119.26 117.28 1b41 h ALA 375 Ca 0.13 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1b41 h ALA 375 Cb 0.59 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1b41 h ALA 375 CO 0.04 -0.20 0.33 0.93 0.00 0.00 0.00 179.25 180.34 1b41 h GLU 376 N 0.12 0.22 -0.20 0.00 4.39 -1.31 0.45 114.58 118.26 1b41 h GLU 376 Ca 0.06 -0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1b41 h GLU 376 Cb 0.15 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1b41 h GLU 376 CO -0.01 0.15 -0.31 0.00 -1.16 0.00 0.00 179.01 177.68 1b41 h ALA 377 N 1.76 1.11 0.08 3.43 0.00 -0.68 -0.07 119.26 124.88 1b41 h ALA 377 Ca 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1b41 h ALA 377 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1b41 h ALA 377 CO -0.04 0.56 -0.04 0.28 0.00 0.00 0.00 179.25 180.01 1b41 h VAL 378 N 0.35 1.17 -0.87 0.00 2.07 0.66 -3.15 116.25 116.48 1b41 h VAL 378 Ca 0.05 -1.31 0.17 0.00 0.82 0.00 0.00 66.70 66.42 1b41 h VAL 378 Cb 0.72 1.96 -0.10 0.00 -1.52 0.00 0.00 31.29 32.34 1b41 h VAL 378 CO 0.05 0.30 0.43 0.58 0.02 0.00 0.00 177.57 178.95 1b41 h VAL 379 N -0.76 0.64 0.22 2.57 2.07 -0.39 -1.47 116.25 119.13 1b41 h VAL 379 Ca -0.01 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1b41 h VAL 379 Cb 0.58 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1b41 h VAL 379 CO 0.02 0.10 -0.21 0.25 0.02 0.00 0.00 177.57 177.75 1b41 h LEU 380 N 0.55 -0.55 -0.64 2.57 5.85 -1.05 -2.76 115.31 119.27 1b41 h LEU 380 Ca 0.50 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 59.15 1b41 h LEU 380 Cb 0.80 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1b41 h LEU 380 CO -0.42 -0.31 -0.17 -0.74 -0.34 0.00 0.00 178.44 176.46 1b41 h HIS 381 N -0.45 1.00 -0.39 1.25 2.76 -1.35 -3.19 115.15 114.77 1b41 h HIS 381 Ca -0.00 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.95 1b41 h HIS 381 Cb 0.42 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1b41 h HIS 381 CO -0.15 0.98 0.00 0.66 -1.30 0.00 0.00 177.93 178.12 1b41 n TYR 382 N -4.13 0.82 -4.41 5.26 4.01 -0.62 -4.88 117.16 113.22 1b41 n TYR 382 Ca 0.01 -0.34 -0.34 0.00 -0.16 0.00 0.00 57.90 57.07 1b41 n TYR 382 Cb 0.42 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.20 1b41 n TYR 382 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1b41 s THR 383 N -1.67 4.09 -0.54 -0.72 2.01 -1.05 -4.83 115.64 112.93 1b41 s THR 383 Ca 0.30 -0.32 -0.21 0.00 0.31 0.00 0.00 61.69 61.77 1b41 s THR 383 Cb 0.18 -2.74 0.06 0.00 0.01 0.00 0.00 72.50 70.01 1b41 s THR 383 CO 0.15 0.56 0.77 -0.62 -0.69 0.00 0.00 174.62 174.80 1b41 s ASP 384 N -0.42 6.26 0.00 3.53 -1.08 -1.26 -4.89 116.67 118.80 1b41 s ASP 384 Ca 0.07 -0.74 0.11 0.00 -0.52 0.00 0.00 52.55 51.48 1b41 s ASP 384 Cb -0.12 -2.36 0.68 0.00 -1.46 0.00 0.00 42.92 39.67 1b41 s ASP 384 CO 0.02 -1.07 1.23 0.79 0.52 0.00 0.00 175.17 176.66 1b41 n TRP 385 N 6.78 0.00 0.43 -5.34 7.02 -1.26 -0.58 117.44 124.50 1b41 n TRP 385 Ca -0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.54 1b41 n TRP 385 Cb 0.46 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.23 1b41 n TRP 385 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1b41 n LEU 386 N -0.75 0.44 -2.67 -0.99 -0.00 -1.26 -4.51 117.00 107.26 1b41 n LEU 386 Ca 0.09 -0.25 -0.08 0.00 -0.00 0.00 0.00 56.01 55.76 1b41 n LEU 386 Cb 0.04 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 43.51 1b41 n LEU 386 CO 0.06 0.11 0.01 1.41 -0.00 0.00 0.00 177.39 178.99 1b41 n HIS 387 N -1.78 0.39 -0.24 1.96 8.25 -0.22 -4.99 115.22 118.60 1b41 n HIS 387 Ca 0.00 -2.60 0.32 0.00 -0.26 0.00 0.00 57.72 55.19 1b41 n HIS 387 Cb 0.38 0.04 0.72 0.00 1.12 0.00 0.00 29.99 32.25 1b41 n HIS 387 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1b41 h PRO 388 N 2.78 0.00 0.00 -0.41 0.11 -1.07 -2.33 132.00 131.08 1b41 h PRO 388 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1b41 h PRO 388 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b41 h PRO 388 CO 0.37 0.00 -0.94 0.39 -0.21 0.00 0.00 178.00 177.61 1b41 n GLU 389 N -3.98 1.81 -1.43 1.05 -0.58 -1.26 -4.83 120.64 111.41 1b41 n GLU 389 Ca 0.22 -0.04 -0.52 0.00 -0.42 0.00 0.00 57.16 56.41 1b41 n GLU 389 Cb 1.18 -1.22 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 1b41 n GLU 389 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1b41 n ASP 390 N -1.52 2.04 -0.23 1.62 2.03 -0.88 -4.54 116.55 115.07 1b41 n ASP 390 Ca 0.01 0.45 0.09 0.00 0.52 0.00 0.00 54.79 55.86 1b41 n ASP 390 Cb 0.26 -1.23 0.36 0.00 -0.72 0.00 0.00 41.12 39.79 1b41 n ASP 390 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1b41 h PRO 391 N 11.98 0.71 0.01 -0.67 0.11 -1.90 -1.05 132.00 141.19 1b41 h PRO 391 Ca -0.26 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1b41 h PRO 391 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b41 h PRO 391 CO 1.02 0.47 -0.00 0.00 -0.21 0.00 0.00 178.00 179.28 1b41 h ALA 392 N 1.60 -0.01 -0.20 -0.75 0.00 -1.88 -2.10 119.26 115.92 1b41 h ALA 392 Ca 0.38 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 1b41 h ALA 392 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1b41 h ALA 392 CO -0.15 -0.42 -0.47 0.00 0.00 0.00 0.00 179.25 178.21 1b41 h ARG 393 N -0.18 0.51 -0.19 0.00 3.08 -1.86 -2.70 114.38 113.03 1b41 h ARG 393 Ca -0.00 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1b41 h ARG 393 Cb 0.18 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1b41 h ARG 393 CO 0.00 0.87 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.57 1b41 h LEU 394 N 0.41 0.30 -0.19 3.04 3.38 -1.15 0.24 115.31 121.33 1b41 h LEU 394 Ca 0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1b41 h LEU 394 Cb 0.98 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1b41 h LEU 394 CO 0.09 0.46 -0.08 -0.09 0.09 0.00 0.00 178.44 178.91 1b41 h ARG 395 N 0.30 0.38 0.00 1.13 2.43 -1.14 -2.18 114.38 115.30 1b41 h ARG 395 Ca 0.06 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1b41 h ARG 395 Cb 0.42 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1b41 h ARG 395 CO 0.02 0.67 -0.02 0.93 -1.51 0.00 0.00 179.97 180.07 1b41 h GLU 396 N 0.08 0.00 -0.02 0.20 3.07 -1.20 -2.71 114.58 114.00 1b41 h GLU 396 Ca 0.04 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.83 1b41 h GLU 396 Cb 0.55 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1b41 h GLU 396 CO 0.03 0.02 -0.29 0.00 -1.40 0.00 0.00 179.01 177.37 1b41 h ALA 397 N 1.98 0.06 0.00 3.43 0.00 -0.72 -1.95 119.26 122.05 1b41 h ALA 397 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1b41 h ALA 397 Cb 0.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1b41 h ALA 397 CO 0.00 0.12 -0.09 1.25 0.00 0.00 0.00 179.25 180.53 1b41 h LEU 398 N -0.38 0.00 -0.10 0.00 5.85 -1.38 0.55 115.31 119.85 1b41 h LEU 398 Ca -0.03 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1b41 h LEU 398 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1b41 h LEU 398 CO 0.06 0.09 -0.28 -1.28 -0.34 0.00 0.00 178.44 176.69 1b41 h SER 399 N 0.00 0.42 -0.59 1.25 0.87 -1.42 -2.88 113.55 111.20 1b41 h SER 399 Ca -0.00 -0.59 -0.08 0.00 -1.23 0.00 0.00 61.79 59.88 1b41 h SER 399 Cb 0.49 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1b41 h SER 399 CO 0.01 0.94 0.04 0.44 -0.53 0.00 0.00 176.83 177.73 1b41 h ASP 400 N -0.08 0.98 -0.02 6.23 3.32 -0.65 -1.02 116.42 125.18 1b41 h ASP 400 Ca -0.01 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.78 1b41 h ASP 400 Cb 0.89 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 1b41 h ASP 400 CO 0.06 1.03 -0.50 0.58 -1.72 0.00 0.00 179.24 178.69 1b41 h VAL 401 N 0.90 0.05 -0.43 -1.35 2.07 -0.94 0.78 116.25 117.32 1b41 h VAL 401 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1b41 h VAL 401 Cb 0.50 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1b41 h VAL 401 CO 0.02 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.41 1b41 h VAL 402 N -0.64 1.17 -0.34 2.57 2.07 -1.46 -2.14 116.25 117.48 1b41 h VAL 402 Ca 0.03 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1b41 h VAL 402 Cb 0.70 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1b41 h VAL 402 CO -0.36 0.19 0.20 1.23 0.02 0.00 0.00 177.57 178.85 1b41 h GLY 403 N 0.56 0.49 0.84 2.17 0.00 -0.62 -1.03 103.07 105.47 1b41 h GLY 403 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1b41 h GLY 403 CO -0.02 0.20 0.02 -0.55 0.00 0.00 0.00 176.54 176.19 1b41 h ASP 404 N 0.43 0.35 -0.54 0.19 3.32 0.60 -0.51 116.42 120.27 1b41 h ASP 404 Ca 0.12 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 1b41 h ASP 404 Cb 0.03 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1b41 h ASP 404 CO -0.02 0.55 0.28 -0.74 -1.72 0.00 0.00 179.24 177.59 1b41 h HIS 405 N 0.14 0.75 0.00 4.55 2.76 -1.36 -1.06 115.15 120.94 1b41 h HIS 405 Ca 0.06 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 1b41 h HIS 405 Cb 0.36 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 1b41 h HIS 405 CO 0.03 0.57 -1.39 0.09 -1.30 0.00 0.00 177.93 175.92 1b41 n ASN 406 N -4.60 0.58 0.07 3.26 3.02 -0.40 -4.60 115.26 112.59 1b41 n ASN 406 Ca 0.03 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1b41 n ASN 406 Cb 0.10 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.15 1b41 n ASN 406 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1b41 n VAL 407 N -2.59 0.28 0.04 2.41 0.31 -0.26 -4.75 118.33 113.78 1b41 n VAL 407 Ca -0.03 0.09 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 1b41 n VAL 407 Cb 0.61 -0.70 -0.04 0.00 -0.91 0.00 0.00 33.84 32.80 1b41 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1b41 h VAL 408 N 0.00 0.46 -0.13 2.52 2.07 -1.46 -1.58 116.25 118.12 1b41 h VAL 408 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1b41 h VAL 408 Cb 0.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1b41 h VAL 408 CO 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 177.57 177.11 1b41 h PRO 410 N 0.27 0.72 -0.29 0.00 0.11 -1.70 -2.01 132.00 129.10 1b41 h PRO 410 Ca 0.01 -0.25 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1b41 h PRO 410 Cb 0.96 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1b41 h PRO 410 CO 0.08 0.83 0.13 0.28 -0.21 0.00 0.00 178.00 179.11 1b41 h VAL 411 N 0.54 1.16 -0.50 3.15 2.07 -1.11 -1.40 116.25 120.15 1b41 h VAL 411 Ca 0.11 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.19 1b41 h VAL 411 Cb 0.53 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1b41 h VAL 411 CO 0.03 0.17 0.33 0.00 0.02 0.00 0.00 177.57 178.12 1b41 h ALA 412 N 0.98 1.79 0.01 1.67 0.00 -0.11 -0.04 119.26 123.57 1b41 h ALA 412 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1b41 h ALA 412 Cb 0.14 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1b41 h ALA 412 CO -0.01 0.15 -0.41 0.37 0.00 0.00 0.00 179.25 179.35 1b41 h GLN 413 N 0.54 0.26 -0.25 0.00 4.15 -1.09 -2.36 115.11 116.35 1b41 h GLN 413 Ca 0.20 -0.29 0.04 0.00 0.77 0.00 0.00 58.65 59.38 1b41 h GLN 413 Cb 0.14 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1b41 h GLN 413 CO -0.05 1.02 0.00 1.25 -1.93 0.00 0.00 178.83 179.11 1b41 h LEU 414 N -0.38 -0.09 -0.39 -2.39 5.85 -0.97 -0.59 115.31 116.35 1b41 h LEU 414 Ca -0.05 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1b41 h LEU 414 Cb 1.17 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1b41 h LEU 414 CO 0.08 -0.02 -0.03 0.00 -0.34 0.00 0.00 178.44 178.13 1b41 h ALA 415 N 1.22 0.32 -0.28 1.25 0.00 -1.05 0.25 119.26 120.97 1b41 h ALA 415 Ca 0.12 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1b41 h ALA 415 Cb 0.15 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b41 h ALA 415 CO -0.20 -0.42 -0.28 0.78 0.00 0.00 0.00 179.25 179.13 1b41 h GLY 416 N 0.06 0.60 1.18 0.00 0.00 -0.98 -0.25 103.07 103.69 1b41 h GLY 416 Ca 0.19 -0.52 -0.19 0.00 0.00 0.00 0.00 47.33 46.81 1b41 h GLY 416 CO -0.35 0.48 -0.55 3.21 0.00 0.00 0.00 176.54 179.33 1b41 h ARG 417 N 0.48 0.86 0.75 4.80 2.47 -0.55 -1.05 114.38 122.14 1b41 h ARG 417 Ca 0.06 -0.55 -0.04 0.00 -1.26 0.00 0.00 59.98 58.20 1b41 h ARG 417 Cb 0.74 0.07 0.01 0.00 -1.65 0.00 0.00 29.97 29.13 1b41 h ARG 417 CO 0.06 1.18 -0.36 -0.07 0.56 0.00 0.00 179.97 181.34 1b41 h LEU 418 N 0.66 -0.85 -0.80 3.04 3.38 -0.36 -1.49 115.31 118.89 1b41 h LEU 418 Ca 0.01 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.16 1b41 h LEU 418 Cb 1.16 0.22 -0.10 0.00 0.09 0.00 0.00 40.66 42.03 1b41 h LEU 418 CO 0.12 -0.48 0.35 0.00 0.09 0.00 0.00 178.44 178.53 1b41 h ALA 419 N -1.23 1.18 0.00 1.53 0.00 -1.11 0.51 119.26 120.13 1b41 h ALA 419 Ca -0.10 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b41 h ALA 419 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1b41 h ALA 419 CO 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1b41 h ALA 420 N 1.57 1.00 -0.39 0.00 0.00 -1.14 -3.26 119.26 117.04 1b41 h ALA 420 Ca 0.45 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 55.13 1b41 h ALA 420 Cb 0.69 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 1b41 h ALA 420 CO -0.41 0.00 -0.15 1.04 0.00 0.00 0.00 179.25 179.73 1b41 n GLN 421 N -2.62 2.01 0.00 0.00 6.02 0.14 -4.93 117.38 118.01 1b41 n GLN 421 Ca 0.02 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.70 1b41 n GLN 421 Cb 0.28 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.68 1b41 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b41 n GLY 422 N -1.08 1.14 3.67 1.08 0.00 -1.19 -1.69 105.19 107.11 1b41 n GLY 422 Ca 0.35 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 1b41 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 s ALA 423 N -2.00 3.31 -0.31 4.61 0.00 -1.05 -2.99 121.76 123.33 1b41 s ALA 423 Ca 0.00 -1.97 -0.11 0.00 0.00 0.00 0.00 51.96 49.88 1b41 s ALA 423 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1b41 s ALA 423 CO 0.00 0.02 0.19 0.50 0.00 0.00 0.00 175.76 176.47 1b41 s ARG 424 N -3.77 3.59 0.05 0.00 6.06 -0.73 -4.39 118.95 119.76 1b41 s ARG 424 Ca 0.36 -0.57 0.09 0.00 -2.50 0.00 0.00 55.73 53.12 1b41 s ARG 424 Cb 0.00 -3.67 -0.03 0.00 0.06 0.00 0.00 34.95 31.32 1b41 s ARG 424 CO 0.20 -0.35 -0.25 0.08 -2.50 0.00 0.00 175.30 172.48 1b41 s VAL 425 N 1.70 2.05 -0.05 7.11 1.01 -1.26 0.32 120.40 131.27 1b41 s VAL 425 Ca 0.06 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.69 1b41 s VAL 425 Cb -0.17 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1b41 s VAL 425 CO 0.09 0.32 -0.10 -0.31 0.00 0.00 0.00 175.10 175.11 1b41 s TYR 426 N -0.81 1.19 0.24 5.22 2.02 -0.79 0.59 117.35 125.00 1b41 s TYR 426 Ca 0.11 -0.40 0.09 0.00 -0.37 0.00 0.00 57.07 56.50 1b41 s TYR 426 Cb -0.10 -0.90 -0.04 0.00 -0.40 0.00 0.00 41.96 40.52 1b41 s TYR 426 CO 0.02 -0.22 -0.01 0.00 -1.57 0.00 0.00 175.55 173.77 1b41 s ALA 427 N 0.65 3.15 0.08 3.71 0.00 -1.26 -1.25 121.76 126.85 1b41 s ALA 427 Ca -0.12 -1.59 -0.23 0.00 0.00 0.00 0.00 51.96 50.03 1b41 s ALA 427 Cb -0.14 -0.81 0.06 0.00 0.00 0.00 0.00 23.12 22.22 1b41 s ALA 427 CO 0.02 0.32 0.54 1.52 0.00 0.00 0.00 175.76 178.17 1b41 s TYR 428 N -2.16 -0.45 -0.30 0.00 -0.85 -0.97 -2.83 117.35 109.78 1b41 s TYR 428 Ca 0.30 0.43 -0.01 0.00 -0.52 0.00 0.00 57.07 57.27 1b41 s TYR 428 Cb -0.07 0.40 0.10 0.00 0.38 0.00 0.00 41.96 42.77 1b41 s TYR 428 CO 0.19 -0.70 0.09 0.08 -1.52 0.00 0.00 175.55 173.69 1b41 s VAL 429 N -2.85 0.86 -0.46 -3.49 1.01 -0.62 -2.16 120.40 112.69 1b41 s VAL 429 Ca -0.03 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.33 1b41 s VAL 429 Cb -0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1b41 s VAL 429 CO -0.05 -0.65 1.93 0.12 0.00 0.00 0.00 175.10 176.46 1b41 s PHE 430 N 1.63 1.61 -0.43 5.22 5.36 0.14 -2.21 117.98 129.31 1b41 s PHE 430 Ca 0.09 0.82 0.06 0.00 -0.96 0.00 0.00 56.93 56.95 1b41 s PHE 430 Cb -0.17 -4.02 0.42 0.00 -0.34 0.00 0.00 43.02 38.91 1b41 s PHE 430 CO -0.24 -2.70 1.09 -0.85 -1.46 0.00 0.00 175.22 171.06 1b41 n GLU 431 N 8.83 3.18 -3.89 10.12 0.28 -1.14 -0.83 120.64 137.19 1b41 n GLU 431 Ca 0.24 -4.37 -0.27 0.00 -0.16 0.00 0.00 57.16 52.60 1b41 n GLU 431 Cb 0.50 -2.14 -0.17 0.00 1.43 0.00 0.00 31.44 31.06 1b41 n GLU 431 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1b41 s HIS 432 N -3.49 1.43 -0.05 -1.84 2.46 -1.26 -4.77 115.29 107.78 1b41 s HIS 432 Ca 0.46 -0.75 -0.30 0.00 0.47 0.00 0.00 55.06 54.94 1b41 s HIS 432 Cb 0.41 -1.20 -0.03 0.00 -0.13 0.00 0.00 32.58 31.63 1b41 s HIS 432 CO -0.16 -0.52 1.12 0.50 -2.47 0.00 0.00 174.74 173.21 1b41 s ARG 433 N 1.72 4.40 0.37 2.88 3.52 -1.26 -4.95 118.95 125.64 1b41 s ARG 433 Ca 0.04 1.57 -0.28 0.00 -0.13 0.00 0.00 55.73 56.93 1b41 s ARG 433 Cb -0.13 -3.52 -0.11 0.00 -1.56 0.00 0.00 34.95 29.63 1b41 s ARG 433 CO -0.08 -0.34 1.42 0.00 -0.81 0.00 0.00 175.30 175.49 1b41 s ALA 434 N 1.90 3.53 -0.78 6.12 0.00 -1.26 -4.87 121.76 126.40 1b41 s ALA 434 Ca 0.53 1.47 0.22 0.00 0.00 0.00 0.00 51.96 54.18 1b41 s ALA 434 Cb -0.23 -3.57 0.88 0.00 0.00 0.00 0.00 23.12 20.21 1b41 s ALA 434 CO 0.22 -0.93 1.68 -1.13 0.00 0.00 0.00 175.76 175.60 1b41 n SER 435 N 0.53 0.37 -0.59 0.00 3.41 -1.26 -2.55 113.62 113.52 1b41 n SER 435 Ca 0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 1b41 n SER 435 Cb 0.40 -0.66 0.18 0.00 -0.26 0.00 0.00 64.21 63.88 1b41 n SER 435 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1b41 n THR 436 N -1.89 0.00 -1.68 6.66 -1.04 -1.26 -4.98 114.28 110.09 1b41 n THR 436 Ca 0.04 -0.31 -0.55 0.00 -2.04 0.00 0.00 64.05 61.19 1b41 n THR 436 Cb 0.26 1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 69.77 1b41 n THR 436 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1b41 n LEU 437 N 0.32 2.37 0.06 -4.42 4.77 -1.06 -4.86 117.00 114.17 1b41 n LEU 437 Ca 0.13 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.30 1b41 n LEU 437 Cb 0.47 -1.18 0.21 0.00 -2.33 0.00 0.00 43.42 40.58 1b41 n LEU 437 CO 0.22 -0.51 0.41 -1.54 -1.33 0.00 0.00 177.39 174.64 1b41 n SER 438 N 4.86 0.68 -4.79 -1.43 3.41 -1.26 -4.87 113.62 110.22 1b41 n SER 438 Ca 0.24 0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.63 1b41 n SER 438 Cb 0.16 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 1b41 n SER 438 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1b41 s TRP 439 N -3.14 3.17 0.58 7.33 0.52 -1.26 -4.83 118.94 121.30 1b41 s TRP 439 Ca 0.07 1.62 -0.18 0.00 0.02 0.00 0.00 56.10 57.63 1b41 s TRP 439 Cb 0.14 -3.11 -0.07 0.00 -1.15 0.00 0.00 33.47 29.27 1b41 s TRP 439 CO 0.70 -0.71 0.69 -0.35 0.02 0.00 0.00 176.95 177.31 1b41 n PRO 440 N -0.36 0.66 0.08 4.98 -0.04 -1.26 -4.89 135.00 134.17 1b41 n PRO 440 Ca 0.06 0.26 0.15 0.00 -0.04 0.00 0.00 63.50 63.92 1b41 n PRO 440 Cb 0.50 -1.87 0.64 0.00 -0.04 0.00 0.00 33.50 32.73 1b41 n PRO 440 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1b41 h LEU 441 N 0.34 0.06 -1.82 1.53 5.85 -1.94 -2.75 115.31 116.58 1b41 h LEU 441 Ca -0.47 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 1b41 h LEU 441 Cb 1.39 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 1b41 h LEU 441 CO 0.49 0.04 -0.14 4.11 -0.34 0.00 0.00 178.44 182.59 1b41 h TRP 442 N 0.06 0.00 0.00 1.25 5.08 -1.94 -2.58 115.95 117.83 1b41 h TRP 442 Ca 0.16 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.13 1b41 h TRP 442 Cb 0.57 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 1b41 h TRP 442 CO -0.00 0.14 0.00 -1.33 -1.28 0.00 0.00 178.44 175.97 1b41 n MET 443 N -3.80 0.21 0.00 0.12 2.81 -1.04 -4.97 117.12 110.46 1b41 n MET 443 Ca -0.02 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1b41 n MET 443 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 1b41 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1b41 n GLY 444 N 0.67 4.18 3.20 3.03 0.00 -0.97 -3.57 105.19 111.73 1b41 n GLY 444 Ca 0.09 0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1b41 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b41 s VAL 445 N 0.00 4.79 0.88 1.61 1.01 -1.26 -4.84 120.40 122.58 1b41 s VAL 445 Ca 0.00 -3.15 -0.12 0.00 0.00 0.00 0.00 61.98 58.72 1b41 s VAL 445 Cb 0.00 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.52 1b41 s VAL 445 CO 0.00 -1.03 1.10 -2.16 0.00 0.00 0.00 175.10 173.01 1b41 s PRO 446 N -0.54 1.43 0.20 2.72 0.04 -1.23 -1.50 135.00 136.11 1b41 s PRO 446 Ca 0.22 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 61.64 1b41 s PRO 446 Cb -0.12 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.42 1b41 s PRO 446 CO -0.08 -2.09 0.94 1.58 0.04 0.00 0.00 177.00 177.39 1b41 n HIS 447 N -3.76 0.75 -1.43 0.56 -0.00 -1.23 -2.25 115.22 107.86 1b41 n HIS 447 Ca 0.07 0.80 -0.15 0.00 -0.00 0.00 0.00 57.72 58.44 1b41 n HIS 447 Cb 0.56 -2.17 -0.06 0.00 -0.00 0.00 0.00 29.99 28.32 1b41 n HIS 447 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1b41 n GLY 448 N 1.74 1.53 1.17 1.57 0.00 -1.26 -4.89 105.19 105.05 1b41 n GLY 448 Ca 0.15 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1b41 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1b41 n TYR 449 N -2.55 1.14 0.56 1.61 4.01 -0.95 -4.02 117.16 116.95 1b41 n TYR 449 Ca -0.15 -0.69 0.07 0.00 -0.16 0.00 0.00 57.90 56.97 1b41 n TYR 449 Cb 0.50 -0.25 -0.09 0.00 -0.31 0.00 0.00 39.34 39.19 1b41 n TYR 449 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1b41 n GLU 450 N 0.38 1.98 0.15 -0.72 0.00 -1.26 -4.53 120.64 116.64 1b41 n GLU 450 Ca 0.21 -0.02 -0.14 0.00 0.00 0.00 0.00 57.16 57.21 1b41 n GLU 450 Cb 0.82 -1.20 -0.08 0.00 0.00 0.00 0.00 31.44 30.98 1b41 n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1b41 h ILE 451 N 0.00 0.78 -1.07 3.84 2.04 -1.96 -2.25 117.51 118.89 1b41 h ILE 451 Ca 0.00 -0.30 0.31 0.00 1.00 0.00 0.00 64.86 65.87 1b41 h ILE 451 Cb 0.39 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1b41 h ILE 451 CO 0.00 0.07 0.77 1.05 0.00 0.00 0.00 178.15 180.03 1b41 h GLU 452 N -0.51 0.03 0.21 2.37 4.11 -1.80 -1.04 114.58 117.95 1b41 h GLU 452 Ca -0.04 -0.00 -0.35 0.00 0.07 0.00 0.00 59.36 59.05 1b41 h GLU 452 Cb 0.38 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.64 1b41 h GLU 452 CO 0.06 0.02 -1.67 0.74 0.07 0.00 0.00 179.01 178.23 1b41 h PHE 453 N 0.03 0.79 -0.64 2.06 -1.00 -1.78 -0.87 116.94 115.53 1b41 h PHE 453 Ca 0.52 -0.58 0.05 0.00 2.81 0.00 0.00 57.97 60.77 1b41 h PHE 453 Cb 2.01 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 41.50 1b41 h PHE 453 CO -0.00 1.65 0.42 0.82 -1.61 0.00 0.00 178.31 179.59 1b41 h ILE 454 N 0.11 1.04 -0.01 -0.55 1.08 -0.61 0.14 117.51 118.70 1b41 h ILE 454 Ca -0.32 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1b41 h ILE 454 Cb 2.11 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 36.16 1b41 h ILE 454 CO 0.20 0.13 -0.05 0.49 -0.69 0.00 0.00 178.15 178.23 1b41 n PHE 455 N -4.47 0.00 -2.34 1.37 3.01 -0.87 -4.52 117.46 109.63 1b41 n PHE 455 Ca 0.09 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.43 1b41 n PHE 455 Cb 0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1b41 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b41 n GLY 456 N 1.16 -0.05 0.30 1.37 0.00 0.47 -3.74 105.19 104.71 1b41 n GLY 456 Ca 0.19 -0.38 0.16 0.00 0.00 0.00 0.00 46.02 45.99 1b41 n GLY 456 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b41 h ILE 457 N -0.21 0.45 0.00 -0.61 1.08 -1.37 -2.27 117.51 114.58 1b41 h ILE 457 Ca -0.27 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1b41 h ILE 457 Cb 1.20 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.96 1b41 h ILE 457 CO 0.31 0.00 -0.02 -0.65 -0.69 0.00 0.00 178.15 177.10 1b41 h PRO 458 N 0.00 0.00 0.00 2.37 0.11 -1.89 -1.57 132.00 131.01 1b41 h PRO 458 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1b41 h PRO 458 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1b41 h PRO 458 CO 0.00 0.02 0.00 -0.07 -0.21 0.00 0.00 178.00 177.74 1b41 h LEU 459 N 0.00 0.00 -9.31 2.35 3.38 -1.74 -3.43 115.31 106.57 1b41 h LEU 459 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1b41 h LEU 459 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1b41 h LEU 459 CO 0.00 0.00 0.92 -0.62 0.09 0.00 0.00 178.44 178.83 1b41 s ASP 460 N -5.30 6.81 0.16 -0.43 2.15 -0.59 -4.79 116.67 114.67 1b41 s ASP 460 Ca 0.03 2.08 -0.14 0.00 0.43 0.00 0.00 52.55 54.96 1b41 s ASP 460 Cb 0.09 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.21 1b41 s ASP 460 CO 0.52 -0.79 1.75 -0.65 -0.17 0.00 0.00 175.17 175.84 1b41 h PRO 461 N 8.38 0.75 0.00 4.34 0.11 -1.88 -2.79 132.00 140.92 1b41 h PRO 461 Ca -0.36 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b41 h PRO 461 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1b41 h PRO 461 CO 0.93 0.61 0.21 0.66 -0.21 0.00 0.00 178.00 180.19 1b41 h SER 462 N 0.70 0.00 -2.16 -2.05 4.64 -1.97 -3.40 113.55 109.32 1b41 h SER 462 Ca 0.18 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 61.05 1b41 h SER 462 Cb 0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1b41 h SER 462 CO -0.03 0.00 -0.38 -0.13 -0.87 0.00 0.00 176.83 175.42 1b41 s ARG 463 N -3.55 3.36 -0.45 4.77 1.81 -1.05 -5.06 118.95 118.77 1b41 s ARG 463 Ca -0.02 -0.78 0.03 0.00 -1.72 0.00 0.00 55.73 53.24 1b41 s ARG 463 Cb 0.06 -2.85 0.47 0.00 -0.45 0.00 0.00 34.95 32.18 1b41 s ARG 463 CO 0.18 0.30 1.59 0.09 -0.68 0.00 0.00 175.30 176.79 1b41 n ASN 464 N -1.51 5.77 -4.77 0.23 4.13 -1.26 -4.94 115.26 112.90 1b41 n ASN 464 Ca -0.06 -3.77 -0.31 0.00 1.68 0.00 0.00 54.58 52.12 1b41 n ASN 464 Cb 0.57 -0.65 0.09 0.00 -1.54 0.00 0.00 39.78 38.25 1b41 n ASN 464 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1b41 s TYR 465 N -3.65 2.67 0.55 3.10 1.51 -1.26 -4.97 117.35 115.31 1b41 s TYR 465 Ca 0.56 1.44 -0.15 0.00 -1.01 0.00 0.00 57.07 57.92 1b41 s TYR 465 Cb 0.45 -3.04 -0.06 0.00 -0.11 0.00 0.00 41.96 39.20 1b41 s TYR 465 CO 0.02 -1.77 1.00 0.95 -1.11 0.00 0.00 175.55 174.64 1b41 s THR 466 N -2.96 4.50 0.34 -0.71 -4.23 -1.26 -4.92 115.64 106.40 1b41 s THR 466 Ca 0.61 1.09 0.07 0.00 -1.18 0.00 0.00 61.69 62.27 1b41 s THR 466 Cb -0.16 -3.72 0.31 0.00 1.34 0.00 0.00 72.50 70.27 1b41 s THR 466 CO 0.56 -0.79 1.87 0.00 -0.54 0.00 0.00 174.62 175.71 1b41 h ALA 467 N 0.52 1.74 -0.19 3.99 0.00 -1.98 -0.30 119.26 123.04 1b41 h ALA 467 Ca -0.46 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1b41 h ALA 467 Cb 1.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1b41 h ALA 467 CO 0.61 0.03 -0.44 1.05 0.00 0.00 0.00 179.25 180.50 1b41 h GLU 468 N 0.78 0.48 0.00 0.00 4.11 -2.00 -2.82 114.58 115.13 1b41 h GLU 468 Ca 0.45 -0.25 -0.06 0.00 0.07 0.00 0.00 59.36 59.57 1b41 h GLU 468 Cb 0.62 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1b41 h GLU 468 CO -0.21 0.83 -0.30 0.93 0.07 0.00 0.00 179.01 180.32 1b41 h GLU 469 N 0.39 0.00 -0.01 1.06 5.08 -1.45 0.70 114.58 120.34 1b41 h GLU 469 Ca 0.03 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1b41 h GLU 469 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1b41 h GLU 469 CO 0.08 0.30 -0.87 0.87 -1.00 0.00 0.00 179.01 178.39 1b41 h LYS 470 N 0.00 0.30 -0.15 2.33 1.57 -1.15 -0.24 116.57 119.23 1b41 h LYS 470 Ca -0.00 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1b41 h LYS 470 Cb 0.74 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.13 1b41 h LYS 470 CO 0.04 1.01 -0.19 0.82 -0.57 0.00 0.00 179.45 180.55 1b41 h ILE 471 N 0.18 1.35 0.07 1.86 2.04 -1.22 -2.59 117.51 119.19 1b41 h ILE 471 Ca -0.05 -1.39 0.02 0.00 1.00 0.00 0.00 64.86 64.44 1b41 h ILE 471 Cb 1.49 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 39.44 1b41 h ILE 471 CO 0.14 0.41 -0.25 0.15 0.00 0.00 0.00 178.15 178.61 1b41 h PHE 472 N 0.03 -0.66 -0.84 1.37 3.57 -0.82 0.19 116.94 119.78 1b41 h PHE 472 Ca 0.02 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.70 1b41 h PHE 472 Cb 0.75 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 39.67 1b41 h PHE 472 CO 0.09 -0.34 0.39 0.00 -2.23 0.00 0.00 178.31 176.22 1b41 h ALA 473 N 0.37 1.28 -0.36 2.41 0.00 -1.03 0.16 119.26 122.08 1b41 h ALA 473 Ca 0.04 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1b41 h ALA 473 Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1b41 h ALA 473 CO -0.18 -0.19 0.08 1.96 0.00 0.00 0.00 179.25 180.92 1b41 h GLN 474 N 0.52 0.59 -0.65 0.00 4.20 -0.88 -1.01 115.11 117.87 1b41 h GLN 474 Ca 0.48 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 59.09 1b41 h GLN 474 Cb 0.77 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1b41 h GLN 474 CO -0.42 0.64 0.38 -0.09 -0.67 0.00 0.00 178.83 178.66 1b41 h ARG 475 N 0.44 0.70 0.11 1.46 2.43 0.16 -2.10 114.38 117.58 1b41 h ARG 475 Ca 0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1b41 h ARG 475 Cb 0.32 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1b41 h ARG 475 CO 0.00 0.46 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.80 1b41 h LEU 476 N 0.72 -0.13 -1.45 3.80 3.38 -0.53 -2.86 115.31 118.24 1b41 h LEU 476 Ca 0.28 -0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1b41 h LEU 476 Cb 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1b41 h LEU 476 CO -0.14 0.09 0.54 0.24 0.09 0.00 0.00 178.44 179.26 1b41 h MET 477 N -0.35 0.52 -0.24 1.13 2.86 -0.95 0.44 114.93 118.34 1b41 h MET 477 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1b41 h MET 477 Cb 0.29 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1b41 h MET 477 CO 0.02 0.34 0.07 -0.09 1.06 0.00 0.00 176.91 178.32 1b41 h ARG 478 N 0.54 0.37 0.09 1.72 9.65 -1.24 0.31 114.38 125.82 1b41 h ARG 478 Ca 0.41 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 59.23 1b41 h ARG 478 Cb 0.81 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.29 1b41 h ARG 478 CO -0.16 0.46 -0.45 1.88 2.80 0.00 0.00 179.97 184.50 1b41 h TYR 479 N 0.21 -1.29 -0.06 2.20 0.05 -0.73 0.80 116.97 118.15 1b41 h TYR 479 Ca 0.08 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.93 1b41 h TYR 479 Cb 0.25 0.55 -0.05 0.00 1.01 0.00 0.00 36.73 38.49 1b41 h TYR 479 CO 0.01 -0.54 -0.29 -1.49 -1.05 0.00 0.00 178.16 174.79 1b41 h TRP 480 N -0.66 -0.80 -0.91 4.88 -0.00 -1.10 0.77 115.95 118.13 1b41 h TRP 480 Ca 0.02 0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.99 1b41 h TRP 480 Cb 0.70 0.36 -0.05 0.00 -0.00 0.00 0.00 29.16 30.17 1b41 h TRP 480 CO -0.41 -0.38 0.60 0.00 -0.00 0.00 0.00 178.44 178.24 1b41 h ALA 481 N 0.41 1.45 -0.36 1.49 0.00 0.08 -0.29 119.26 122.04 1b41 h ALA 481 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1b41 h ALA 481 Cb 0.52 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1b41 h ALA 481 CO -0.29 0.45 0.14 -0.91 0.00 0.00 0.00 179.25 178.64 1b41 h ASN 482 N 1.11 0.50 -0.44 0.00 4.21 0.14 -0.67 115.58 120.43 1b41 h ASN 482 Ca 0.37 -0.18 0.03 0.00 1.21 0.00 0.00 56.30 57.74 1b41 h ASN 482 Cb 0.07 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.10 1b41 h ASN 482 CO -0.12 0.54 0.23 0.15 -1.29 0.00 0.00 177.43 176.93 1b41 h PHE 483 N 0.43 0.42 -0.48 1.19 3.57 -0.10 0.11 116.94 122.07 1b41 h PHE 483 Ca 0.12 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 1b41 h PHE 483 Cb 0.20 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 1b41 h PHE 483 CO -0.00 0.22 0.24 0.00 -2.23 0.00 0.00 178.31 176.53 1b41 h ALA 484 N 1.23 0.61 0.07 2.41 0.00 -0.69 0.64 119.26 123.52 1b41 h ALA 484 Ca 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1b41 h ALA 484 Cb 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1b41 h ALA 484 CO -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 179.25 178.98 1b41 h ARG 485 N 0.47 -0.09 0.00 0.00 3.08 -0.63 -3.40 114.38 113.81 1b41 h ARG 485 Ca 0.21 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1b41 h ARG 485 Cb 0.13 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1b41 h ARG 485 CO -0.15 0.39 -1.57 0.25 -1.07 0.00 0.00 179.97 177.82 1b41 n THR 486 N -4.89 0.00 -0.50 2.04 -2.24 0.33 -4.99 114.28 104.04 1b41 n THR 486 Ca -0.09 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1b41 n THR 486 Cb 0.26 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1b41 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b41 n GLY 487 N 1.73 0.71 3.15 3.38 0.00 0.22 -5.02 105.19 109.38 1b41 n GLY 487 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1b41 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b41 s ASP 488 N -2.30 -0.13 0.13 1.61 2.15 -1.25 -4.89 116.67 112.00 1b41 s ASP 488 Ca 0.00 0.77 -0.20 0.00 0.43 0.00 0.00 52.55 53.56 1b41 s ASP 488 Cb 0.00 0.87 -0.01 0.00 -0.30 0.00 0.00 42.92 43.48 1b41 s ASP 488 CO 0.00 -0.22 1.69 -0.65 -0.17 0.00 0.00 175.17 175.83 1b41 h PRO 489 N 7.82 -0.02 -7.16 4.34 0.11 -1.82 -3.15 132.00 132.12 1b41 h PRO 489 Ca -0.24 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.41 1b41 h PRO 489 Cb 1.13 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.26 1b41 h PRO 489 CO 0.20 -0.02 0.37 0.54 -0.21 0.00 0.00 178.00 178.89 1b41 s ASN 490 N -5.19 6.63 -0.84 -2.05 6.03 -1.26 -4.37 114.94 113.89 1b41 s ASN 490 Ca -0.14 1.62 -0.20 0.00 -1.03 0.00 0.00 52.86 53.11 1b41 s ASN 490 Cb 0.11 -2.52 -0.22 0.00 -3.03 0.00 0.00 41.25 35.59 1b41 s ASN 490 CO 0.69 -0.58 2.13 -0.62 -2.03 0.00 0.00 177.10 176.68 1b41 n GLU 491 N -1.38 0.00 -1.76 3.55 -0.58 -1.26 -5.00 120.64 114.20 1b41 n GLU 491 Ca 0.07 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.40 1b41 n GLU 491 Cb 0.54 -1.13 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 1b41 n GLU 491 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1b41 n PRO 492 N 6.37 3.62 -3.21 3.49 -0.02 -1.26 -5.05 135.00 138.93 1b41 n PRO 492 Ca 0.56 -2.82 0.00 0.00 -2.02 0.00 0.00 63.50 59.22 1b41 n PRO 492 Cb 0.05 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 30.60 1b41 n PRO 492 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1b41 n PRO 495 N 4.00 -0.59 -0.37 0.52 -0.02 -1.26 -5.25 135.00 132.03 1b41 n PRO 495 Ca 0.60 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 62.16 1b41 n PRO 495 Cb 0.31 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.03 1b41 n PRO 495 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1b41 n LYS 496 N 0.00 3.11 -3.75 -0.52 0.00 -1.26 -4.96 118.16 110.78 1b41 n LYS 496 Ca 0.00 -2.51 -0.33 0.00 -0.00 0.00 0.00 58.31 55.47 1b41 n LYS 496 Cb 0.00 -1.59 -0.05 0.00 -0.00 0.00 0.00 35.03 33.39 1b41 n LYS 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b41 s ALA 497 N -1.61 3.85 0.12 0.58 0.00 -1.26 -5.02 121.76 118.41 1b41 s ALA 497 Ca 0.37 -0.61 -0.34 0.00 0.00 0.00 0.00 51.96 51.38 1b41 s ALA 497 Cb 0.24 -2.05 -0.18 0.00 0.00 0.00 0.00 23.12 21.13 1b41 s ALA 497 CO 0.19 0.69 0.87 -2.30 0.00 0.00 0.00 175.76 175.21 1b41 n PRO 498 N 0.55 0.24 -3.59 0.00 -0.02 -1.26 -4.90 135.00 126.02 1b41 n PRO 498 Ca -0.06 0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 61.13 1b41 n PRO 498 Cb 0.52 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.55 1b41 n PRO 498 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1b41 s GLN 499 N -0.49 3.98 -0.44 -0.52 -1.52 -1.26 -4.92 119.66 114.49 1b41 s GLN 499 Ca 0.77 0.16 -0.22 0.00 -1.95 0.00 0.00 55.36 54.12 1b41 s GLN 499 Cb -1.05 -3.31 0.02 0.00 -0.22 0.00 0.00 33.01 28.46 1b41 s GLN 499 CO 0.56 0.50 0.74 -0.46 -0.25 0.00 0.00 175.29 176.38 1b41 s TRP 500 N -0.35 3.02 0.52 0.91 -0.11 -1.26 -4.91 118.94 116.76 1b41 s TRP 500 Ca 0.19 0.11 -0.12 0.00 1.22 0.00 0.00 56.10 57.50 1b41 s TRP 500 Cb -0.14 -3.56 -0.06 0.00 -1.50 0.00 0.00 33.47 28.22 1b41 s TRP 500 CO 0.07 -0.94 0.93 -2.14 -4.62 0.00 0.00 176.95 170.25 1b41 s PRO 501 N 3.14 3.74 0.33 5.86 0.02 -1.26 -4.87 135.00 141.96 1b41 s PRO 501 Ca 0.28 0.68 -0.28 0.00 0.02 0.00 0.00 61.00 61.69 1b41 s PRO 501 Cb -0.13 -2.21 -0.10 0.00 0.02 0.00 0.00 34.50 32.09 1b41 s PRO 501 CO 0.21 -0.31 1.20 -2.14 -0.33 0.00 0.00 177.00 175.64 1b41 s PRO 502 N -4.47 4.40 -0.17 5.54 0.02 -1.26 -4.59 135.00 134.47 1b41 s PRO 502 Ca 0.54 1.99 -0.29 0.00 0.02 0.00 0.00 61.00 63.26 1b41 s PRO 502 Cb -0.10 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 1b41 s PRO 502 CO 0.40 -0.07 1.14 -0.47 -0.33 0.00 0.00 177.00 177.68 1b41 s TYR 503 N -1.20 3.15 0.13 6.54 6.14 0.20 -4.53 117.35 127.78 1b41 s TYR 503 Ca 0.49 1.28 0.08 0.00 0.64 0.00 0.00 57.07 59.55 1b41 s TYR 503 Cb -0.35 -3.37 -0.04 0.00 0.42 0.00 0.00 41.96 38.62 1b41 s TYR 503 CO 0.46 -1.02 -0.10 -0.08 0.64 0.00 0.00 175.55 175.45 1b41 s THR 504 N 3.07 3.31 0.46 4.34 -1.32 -1.26 -4.48 115.64 119.76 1b41 s THR 504 Ca 0.50 -1.41 0.22 0.00 -1.21 0.00 0.00 61.69 59.79 1b41 s THR 504 Cb -0.19 -2.58 0.26 0.00 -1.51 0.00 0.00 72.50 68.48 1b41 s THR 504 CO 0.12 0.03 2.08 0.00 -2.21 0.00 0.00 174.62 174.64 1b41 h ALA 505 N 3.36 1.53 -2.41 11.08 0.00 -1.90 0.17 119.26 131.09 1b41 h ALA 505 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1b41 h ALA 505 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1b41 h ALA 505 CO 0.53 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1b41 n GLY 506 N -0.97 -0.59 0.19 0.00 0.00 -1.26 -4.37 105.19 98.20 1b41 n GLY 506 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1b41 n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b41 h ALA 507 N -2.00 0.97 -6.03 4.61 0.00 -1.97 -3.48 119.26 111.36 1b41 h ALA 507 Ca 0.00 -0.32 -0.40 0.00 0.00 0.00 0.00 54.91 54.19 1b41 h ALA 507 Cb 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 17.79 17.82 1b41 h ALA 507 CO 0.00 0.45 -0.86 1.04 0.00 0.00 0.00 179.25 179.87 1b41 n GLN 508 N -3.47 -3.65 -3.17 0.00 6.02 0.60 -3.79 117.38 109.92 1b41 n GLN 508 Ca 0.00 0.62 -0.38 0.00 -0.01 0.00 0.00 57.00 57.22 1b41 n GLN 508 Cb 0.52 -5.02 -0.06 0.00 1.02 0.00 0.00 30.24 26.69 1b41 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1b41 s GLN 509 N -5.75 4.31 0.23 -1.09 -0.21 -1.26 -1.10 119.66 114.79 1b41 s GLN 509 Ca 0.18 0.87 -0.13 0.00 0.02 0.00 0.00 55.36 56.30 1b41 s GLN 509 Cb -0.05 -3.20 -0.00 0.00 1.00 0.00 0.00 33.01 30.76 1b41 s GLN 509 CO 0.81 0.59 0.46 1.52 -2.12 0.00 0.00 175.29 176.55 1b41 s TYR 510 N -1.17 0.32 0.14 0.91 1.13 0.25 -3.91 117.35 115.03 1b41 s TYR 510 Ca 0.33 -0.68 0.09 0.00 -1.41 0.00 0.00 57.07 55.40 1b41 s TYR 510 Cb -0.20 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.79 1b41 s TYR 510 CO 0.21 -0.95 -0.22 0.14 -2.51 0.00 0.00 175.55 172.23 1b41 s VAL 511 N -4.00 1.96 0.13 -3.49 -7.23 -1.13 0.40 120.40 107.04 1b41 s VAL 511 Ca 0.21 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 1b41 s VAL 511 Cb -0.00 -1.83 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 1b41 s VAL 511 CO 0.07 -0.12 0.63 -0.94 -0.31 0.00 0.00 175.10 174.43 1b41 s SER 512 N -2.32 7.09 -0.62 4.85 1.04 -0.66 -1.59 113.70 121.50 1b41 s SER 512 Ca 0.13 1.34 0.01 0.00 0.48 0.00 0.00 55.95 57.91 1b41 s SER 512 Cb -0.08 -2.39 0.16 0.00 0.10 0.00 0.00 66.02 63.81 1b41 s SER 512 CO 0.06 0.20 0.40 -0.76 0.98 0.00 0.00 173.24 174.13 1b41 s LEU 513 N -1.39 4.85 0.00 2.42 1.43 -0.94 -4.07 118.68 120.99 1b41 s LEU 513 Ca 0.34 -3.11 0.00 0.00 -1.03 0.00 0.00 54.13 50.33 1b41 s LEU 513 Cb -0.19 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.28 1b41 s LEU 513 CO 0.21 -0.27 0.00 -0.90 0.23 0.00 0.00 176.35 175.62 1b41 n ASP 514 N 3.06 0.61 -0.18 2.29 5.68 -1.26 -2.88 116.55 123.87 1b41 n ASP 514 Ca 0.09 -0.91 -0.01 0.00 -0.50 0.00 0.00 54.79 53.47 1b41 n ASP 514 Cb 0.35 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.55 1b41 n ASP 514 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1b41 h LEU 515 N 0.00 0.83-10.19 -2.12 3.38 -1.96 -3.43 115.31 101.83 1b41 h LEU 515 Ca 0.00 -0.07 -0.45 0.00 0.09 0.00 0.00 57.88 57.45 1b41 h LEU 515 Cb 0.00 -0.21 0.20 0.00 0.09 0.00 0.00 40.66 40.74 1b41 h LEU 515 CO 0.00 0.68 0.06 -0.13 0.09 0.00 0.00 178.44 179.14 1b41 s ARG 516 N -5.60 -0.55 1.01 1.13 0.52 -1.26 -4.98 118.95 109.21 1b41 s ARG 516 Ca -0.11 0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 55.85 1b41 s ARG 516 Cb 0.17 -1.59 0.19 0.00 0.52 0.00 0.00 34.95 34.24 1b41 s ARG 516 CO 0.79 -3.49 1.10 -2.14 0.02 0.00 0.00 175.30 171.58 1b41 s PRO 517 N -4.55 0.34 0.12 3.54 0.02 -1.26 -4.91 135.00 128.31 1b41 s PRO 517 Ca 0.68 0.42 -0.32 0.00 0.02 0.00 0.00 61.00 61.80 1b41 s PRO 517 Cb -0.24 -1.73 -0.12 0.00 0.02 0.00 0.00 34.50 32.43 1b41 s PRO 517 CO 0.63 -2.77 1.77 1.28 -0.33 0.00 0.00 177.00 177.57 1b41 n LEU 518 N -4.19 3.77 -4.22 -5.54 4.77 -1.26 -4.85 117.00 105.48 1b41 n LEU 518 Ca 0.06 1.02 -0.33 0.00 -0.03 0.00 0.00 56.01 56.73 1b41 n LEU 518 Cb 0.58 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.00 1b41 n LEU 518 CO 0.57 0.05 -0.51 -0.70 -1.33 0.00 0.00 177.39 175.47 1b41 s GLU 519 N 2.19 3.11 0.13 3.23 2.12 -1.26 -4.92 118.70 123.31 1b41 s GLU 519 Ca 0.81 -0.81 -0.23 0.00 0.36 0.00 0.00 54.97 55.10 1b41 s GLU 519 Cb -0.55 -2.52 -0.07 0.00 0.26 0.00 0.00 34.13 31.24 1b41 s GLU 519 CO 0.38 0.00 0.71 0.08 -0.54 0.00 0.00 175.26 175.89 1b41 s VAL 520 N 0.80 4.50 0.04 3.70 1.01 -1.26 -1.66 120.40 127.54 1b41 s VAL 520 Ca -0.06 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1b41 s VAL 520 Cb -0.15 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1b41 s VAL 520 CO -0.01 0.52 -0.04 -0.13 0.00 0.00 0.00 175.10 175.44 1b41 s ARG 521 N -1.07 0.48 0.24 2.72 0.52 0.16 -4.97 118.95 117.03 1b41 s ARG 521 Ca 0.34 -0.85 0.07 0.00 -0.52 0.00 0.00 55.73 54.77 1b41 s ARG 521 Cb -0.22 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1b41 s ARG 521 CO 0.24 -0.04 0.20 1.03 0.02 0.00 0.00 175.30 176.75 1b41 s ARG 522 N -2.25 2.96 0.14 3.54 0.52 -1.26 -0.58 118.95 122.01 1b41 s ARG 522 Ca -0.07 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1b41 s ARG 522 Cb -0.05 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.83 1b41 s ARG 522 CO -0.03 0.41 0.00 0.41 0.02 0.00 0.00 175.30 176.11 1b41 n GLY 523 N -1.12 -4.70 2.73 -3.53 0.00 -0.26 -4.90 105.19 93.41 1b41 n GLY 523 Ca -0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.13 1b41 n GLY 523 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b41 n LEU 524 N 1.09 5.18 -2.21 0.99 7.94 -1.26 -4.62 117.00 124.11 1b41 n LEU 524 Ca 0.00 -5.33 -0.15 0.00 -1.11 0.00 0.00 56.01 49.42 1b41 n LEU 524 Cb 0.00 -0.99 0.03 0.00 0.53 0.00 0.00 43.42 43.00 1b41 n LEU 524 CO 0.00 1.87 0.07 -1.14 -1.11 0.00 0.00 177.39 177.07 1b41 n ARG 525 N 1.09 -3.97 -0.05 1.96 3.00 -1.26 -4.87 116.66 112.55 1b41 n ARG 525 Ca 0.28 0.56 -0.10 0.00 -0.00 0.00 0.00 57.85 58.59 1b41 n ARG 525 Cb 0.37 -4.73 -0.04 0.00 0.00 0.00 0.00 32.46 28.06 1b41 n ARG 525 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1b41 h ALA 526 N 0.65 -0.37 -0.40 5.13 0.00 -1.95 -0.39 119.26 121.92 1b41 h ALA 526 Ca -0.35 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1b41 h ALA 526 Cb 1.24 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.70 1b41 h ALA 526 CO 0.36 -0.81 0.18 1.96 0.00 0.00 0.00 179.25 180.95 1b41 h GLN 527 N -0.36 0.37 -0.05 0.00 1.08 -1.98 -1.98 115.11 112.18 1b41 h GLN 527 Ca 0.12 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1b41 h GLN 527 Cb 0.57 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1b41 h GLN 527 CO -0.45 0.24 -0.00 0.00 -0.95 0.00 0.00 178.83 177.67 1b41 h ALA 528 N 1.23 0.07 0.00 3.87 0.00 -1.92 -3.01 119.26 119.50 1b41 h ALA 528 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b41 h ALA 528 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1b41 h ALA 528 CO -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1b41 h ALA 530 N 2.02 0.77 0.86 0.00 0.00 -1.22 -0.31 119.26 121.38 1b41 h ALA 530 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1b41 h ALA 530 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1b41 h ALA 530 CO 0.00 0.66 -0.41 0.35 0.00 0.00 0.00 179.25 179.84 1b41 h PHE 531 N 0.52 -1.07 -0.30 0.00 3.57 -0.89 0.17 116.94 118.93 1b41 h PHE 531 Ca 0.04 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.54 1b41 h PHE 531 Cb 0.95 0.35 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 1b41 h PHE 531 CO 0.04 -0.66 0.13 -1.49 -2.23 0.00 0.00 178.31 174.11 1b41 h TRP 532 N -1.23 0.25 0.00 0.41 4.06 -1.45 0.10 115.95 118.09 1b41 h TRP 532 Ca -0.12 0.01 -0.21 0.00 2.06 0.00 0.00 58.89 60.63 1b41 h TRP 532 Cb 0.89 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.95 1b41 h TRP 532 CO -0.00 0.13 -1.47 -0.91 -3.56 0.00 0.00 178.44 172.63 1b41 h ASN 533 N 0.29 0.00 0.00 -3.49 2.35 -1.14 -3.40 115.58 110.19 1b41 h ASN 533 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1b41 h ASN 533 Cb 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1b41 h ASN 533 CO -0.10 0.76 -1.32 -1.14 -1.65 0.00 0.00 177.43 173.97 1b41 n ARG 534 N -2.99 0.40 0.04 0.81 0.63 0.00 -4.77 116.66 110.78 1b41 n ARG 534 Ca -0.11 0.17 -0.04 0.00 -0.92 0.00 0.00 57.85 56.94 1b41 n ARG 534 Cb 0.92 -1.18 -0.02 0.00 0.45 0.00 0.00 32.46 32.62 1b41 n ARG 534 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1b41 h PHE 535 N -0.72 -0.18 -1.00 -0.14 3.57 -1.22 -3.37 116.94 113.88 1b41 h PHE 535 Ca -0.22 -0.00 0.32 0.00 3.53 0.00 0.00 57.97 61.60 1b41 h PHE 535 Cb 1.03 0.06 -0.18 0.00 2.79 0.00 0.00 35.95 39.65 1b41 h PHE 535 CO -0.20 -0.05 0.18 -0.11 -2.23 0.00 0.00 178.31 175.91 1b41 n LEU 536 N -4.90 0.03 -0.18 0.59 -0.00 0.34 -0.44 117.00 112.44 1b41 n LEU 536 Ca -0.03 1.68 -0.03 0.00 -0.00 0.00 0.00 56.01 57.63 1b41 n LEU 536 Cb 0.11 -0.68 0.07 0.00 -0.00 0.00 0.00 43.42 42.93 1b41 n LEU 536 CO 0.09 -1.76 1.00 -0.65 -0.00 0.00 0.00 177.39 176.07 1b41 h PRO 537 N 0.00 0.44 -0.61 1.96 0.11 -1.78 -0.20 132.00 131.93 1b41 h PRO 537 Ca 0.68 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.68 1b41 h PRO 537 Cb 1.56 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.55 1b41 h PRO 537 CO -0.88 0.29 0.06 0.87 -0.21 0.00 0.00 178.00 178.13 1b41 h LYS 538 N 0.45 1.03 -0.01 1.05 1.57 -0.91 -1.12 116.57 118.62 1b41 h LYS 538 Ca 0.26 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1b41 h LYS 538 Cb 0.24 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 1b41 h LYS 538 CO -0.22 0.98 0.01 1.25 -0.57 0.00 0.00 179.45 180.90 1b41 h LEU 539 N 0.93 0.02 -0.33 2.94 6.46 -0.68 -0.66 115.31 123.99 1b41 h LEU 539 Ca 0.18 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1b41 h LEU 539 Cb 0.48 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1b41 h LEU 539 CO 0.02 0.06 0.15 -0.07 -0.62 0.00 0.00 178.44 177.99 1b41 h LEU 540 N -0.03 0.44 -1.22 2.25 3.38 -0.97 -2.78 115.31 116.38 1b41 h LEU 540 Ca 0.01 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1b41 h LEU 540 Cb 0.05 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1b41 h LEU 540 CO -0.00 0.46 0.55 -1.28 0.09 0.00 0.00 178.44 178.26 1b41 h SER 541 N 0.40 0.83 0.00 -0.43 0.87 -1.06 -1.25 113.55 112.92 1b41 h SER 541 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1b41 h SER 541 Cb 0.13 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 1b41 h SER 541 CO -0.01 0.54 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 1b41 n ALA 542 N -2.41 2.60 -1.41 6.23 0.00 -0.27 -5.09 120.51 120.16 1b41 n ALA 542 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1b41 n ALA 542 Cb 0.19 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1b41 n ALA 542 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75