#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2l n PRO 16 N 0.00 2.31 -0.87 5.31 -0.02 -1.26 -4.95 135.00 135.51 1h2l n PRO 16 Ca 0.00 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.00 1h2l n PRO 16 Cb 0.00 -2.60 0.15 0.00 -0.02 0.00 0.00 33.50 31.02 1h2l n PRO 16 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h2l s ARG 17 N 0.74 1.35 -0.20 -0.52 0.52 -1.26 -4.83 118.95 114.75 1h2l s ARG 17 Ca 0.76 1.51 -0.12 0.00 -0.52 0.00 0.00 55.73 57.37 1h2l s ARG 17 Cb -0.63 -1.77 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 1h2l s ARG 17 CO 0.39 -2.38 0.21 -1.21 0.02 0.00 0.00 175.30 172.33 1h2l s GLU 18 N -4.61 4.18 0.17 3.54 0.41 -1.26 -2.77 118.70 118.37 1h2l s GLU 18 Ca 0.67 -0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.83 1h2l s GLU 18 Cb -0.23 -3.46 -0.08 0.00 -1.78 0.00 0.00 34.13 28.58 1h2l s GLU 18 CO 0.56 0.19 1.27 -1.21 -0.49 0.00 0.00 175.26 175.58 1h2l s GLU 19 N 0.65 4.42 0.42 1.61 2.02 -0.66 -4.95 118.70 122.20 1h2l s GLU 19 Ca 0.11 1.97 -0.22 0.00 0.02 0.00 0.00 54.97 56.85 1h2l s GLU 19 Cb -0.12 -3.23 -0.13 0.00 0.10 0.00 0.00 34.13 30.75 1h2l s GLU 19 CO 0.02 -0.22 0.47 0.00 0.02 0.00 0.00 175.26 175.56 1h2l n ALA 20 N 2.83 -1.74 -1.31 5.21 0.00 -1.26 -2.30 120.51 121.94 1h2l n ALA 20 Ca 0.06 0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.63 1h2l n ALA 20 Cb 0.44 -1.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1h2l n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h2l n GLY 21 N 1.87 0.53 3.73 0.00 0.00 -1.26 -3.65 105.19 106.42 1h2l n GLY 21 Ca 0.12 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 1h2l n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h2l n ALA 22 N 0.56 -1.39 1.11 4.61 0.00 -1.08 -4.85 120.51 119.46 1h2l n ALA 22 Ca -0.03 0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.70 1h2l n ALA 22 Cb 0.20 -4.68 0.11 0.00 0.00 0.00 0.00 19.45 15.08 1h2l n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h2l n LEU 23 N -4.78 1.47 0.00 0.00 4.77 -0.97 -5.02 117.00 112.47 1h2l n LEU 23 Ca -0.01 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1h2l n LEU 23 Cb 0.56 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1h2l n LEU 23 CO 0.70 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1h2l n GLY 24 N 0.77 -2.61 3.75 -0.72 0.00 -1.26 -4.82 105.19 100.29 1h2l n GLY 24 Ca 0.08 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 1h2l n GLY 24 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h2l s PRO 25 N -0.90 4.29 0.37 1.61 0.04 -1.26 -1.66 135.00 137.49 1h2l s PRO 25 Ca 0.00 2.27 0.05 0.00 0.04 0.00 0.00 61.00 63.36 1h2l s PRO 25 Cb 0.00 -3.10 0.73 0.00 0.04 0.00 0.00 34.50 32.17 1h2l s PRO 25 CO 0.00 -0.35 1.99 0.00 0.04 0.00 0.00 177.00 178.68 1h2l h ALA 26 N 4.58 1.57 -2.99 8.56 0.00 -1.84 -3.47 119.26 125.67 1h2l h ALA 26 Ca -0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1h2l h ALA 26 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1h2l h ALA 26 CO 0.74 0.36 0.24 1.67 0.00 0.00 0.00 179.25 182.25 1h2l s TRP 27 N -5.39 0.14 0.22 0.00 1.48 -1.26 -5.07 118.94 109.06 1h2l s TRP 27 Ca -0.08 -0.76 0.00 0.00 -1.06 0.00 0.00 56.10 54.20 1h2l s TRP 27 Cb 0.17 0.76 -0.05 0.00 -1.16 0.00 0.00 33.47 33.20 1h2l s TRP 27 CO 0.75 -1.50 0.09 0.16 -4.06 0.00 0.00 176.95 172.39 1h2l s ASP 28 N -3.06 0.78 0.31 -2.66 1.47 -1.26 -4.79 116.67 107.45 1h2l s ASP 28 Ca 0.16 -1.35 0.04 0.00 1.18 0.00 0.00 52.55 52.58 1h2l s ASP 28 Cb -0.05 0.24 0.66 0.00 -0.34 0.00 0.00 42.92 43.43 1h2l s ASP 28 CO 0.11 -0.75 1.84 1.05 0.68 0.00 0.00 175.17 178.11 1h2l h GLU 29 N 2.54 0.85 0.00 2.11 -0.00 -2.03 -1.64 114.58 116.41 1h2l h GLU 29 Ca -0.37 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 1h2l h GLU 29 Cb 1.24 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 1h2l h GLU 29 CO 0.58 0.56 0.00 -1.13 -0.00 0.00 0.00 179.01 179.03 1h2l n SER 30 N -4.62 0.15 -0.35 3.06 3.41 -1.26 -0.82 113.62 113.19 1h2l n SER 30 Ca 0.19 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.49 1h2l n SER 30 Cb 0.42 -0.58 0.40 0.00 -0.26 0.00 0.00 64.21 64.18 1h2l n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h2l n GLN 31 N -1.69 1.16 -3.78 4.33 6.02 -0.62 -4.86 117.38 117.95 1h2l n GLN 31 Ca 0.00 -0.71 -0.37 0.00 -0.01 0.00 0.00 57.00 55.91 1h2l n GLN 31 Cb 0.05 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.76 1h2l n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1h2l s LEU 32 N -2.33 4.40 0.66 1.08 1.43 -0.00 -1.85 118.68 122.07 1h2l s LEU 32 Ca 0.28 0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1h2l s LEU 32 Cb 0.20 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1h2l s LEU 32 CO 0.46 0.37 1.05 -0.13 0.23 0.00 0.00 176.35 178.34 1h2l s ARG 33 N -0.96 3.10 -0.15 1.70 0.52 -1.26 -5.04 118.95 116.86 1h2l s ARG 33 Ca 0.17 1.00 -0.05 0.00 -0.52 0.00 0.00 55.73 56.32 1h2l s ARG 33 Cb -0.13 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1h2l s ARG 33 CO 0.06 -0.97 0.03 -1.54 0.02 0.00 0.00 175.30 172.90 1h2l s SER 34 N -3.57 5.39 0.32 0.23 1.04 -1.26 -5.09 113.70 110.76 1h2l s SER 34 Ca 0.59 0.07 0.03 0.00 0.48 0.00 0.00 55.95 57.12 1h2l s SER 34 Cb -0.14 -1.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 1h2l s SER 34 CO 0.50 0.23 0.08 -0.31 0.98 0.00 0.00 173.24 174.72 1h2l s TYR 35 N -0.01 1.82 -1.98 5.02 2.02 -1.26 -4.95 117.35 118.00 1h2l s TYR 35 Ca 0.04 -1.07 0.28 0.00 -0.37 0.00 0.00 57.07 55.95 1h2l s TYR 35 Cb -0.12 -1.15 1.08 0.00 -0.40 0.00 0.00 41.96 41.36 1h2l s TYR 35 CO 0.01 -0.14 1.76 -1.13 -1.57 0.00 0.00 175.55 174.49 1h2l n SER 36 N -0.71 0.93 -4.43 2.29 3.41 -1.26 -4.92 113.62 108.92 1h2l n SER 36 Ca -0.02 -1.01 -0.27 0.00 -0.26 0.00 0.00 58.87 57.31 1h2l n SER 36 Cb 0.66 0.02 -0.12 0.00 -0.26 0.00 0.00 64.21 64.52 1h2l n SER 36 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1h2l s PHE 37 N -2.29 2.34 0.70 7.33 -0.12 -1.26 -5.09 117.98 119.59 1h2l s PHE 37 Ca 0.32 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 56.74 1h2l s PHE 37 Cb 0.20 -1.17 0.01 0.00 -0.63 0.00 0.00 43.02 41.44 1h2l s PHE 37 CO 0.44 0.48 1.08 -1.25 -0.05 0.00 0.00 175.22 175.92 1h2l s PRO 38 N -2.61 2.88 0.11 1.99 0.04 -1.26 -4.94 135.00 131.21 1h2l s PRO 38 Ca 0.20 0.56 -0.06 0.00 0.04 0.00 0.00 61.00 61.74 1h2l s PRO 38 Cb -0.08 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1h2l s PRO 38 CO 0.10 -1.04 0.16 0.95 0.04 0.00 0.00 177.00 177.20 1h2l s THR 39 N -3.29 0.12 0.22 1.26 -4.23 -1.26 -2.06 115.64 106.41 1h2l s THR 39 Ca 0.58 -1.49 0.10 0.00 -1.18 0.00 0.00 61.69 59.70 1h2l s THR 39 Cb -0.12 -1.66 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1h2l s THR 39 CO 0.53 -0.56 -0.19 -0.13 -0.54 0.00 0.00 174.62 173.72 1h2l s ARG 40 N -3.94 1.49 0.40 3.99 1.81 -0.24 -4.94 118.95 117.51 1h2l s ARG 40 Ca 0.13 -1.61 -0.23 0.00 -1.72 0.00 0.00 55.73 52.29 1h2l s ARG 40 Cb 0.05 -1.55 -0.10 0.00 -0.45 0.00 0.00 34.95 32.91 1h2l s ARG 40 CO -0.05 0.30 1.00 -1.25 -0.68 0.00 0.00 175.30 174.62 1h2l s PRO 41 N -3.24 4.22 0.15 3.54 0.04 -1.26 -0.10 135.00 138.35 1h2l s PRO 41 Ca 0.24 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 1h2l s PRO 41 Cb -0.05 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1h2l s PRO 41 CO 0.11 -0.06 0.86 0.42 0.04 0.00 0.00 177.00 178.36 1h2l s ILE 42 N -1.80 4.39 0.34 0.56 1.01 -0.25 -4.71 121.20 120.73 1h2l s ILE 42 Ca 0.58 1.89 -0.29 0.00 0.00 0.00 0.00 60.65 62.83 1h2l s ILE 42 Cb -0.18 -4.23 -0.11 0.00 0.01 0.00 0.00 42.46 37.95 1h2l s ILE 42 CO 0.23 0.43 1.48 -2.84 0.00 0.00 0.00 174.94 174.24 1h2l s PRO 43 N -0.66 4.16 -0.23 2.79 0.02 -1.26 -4.80 135.00 135.02 1h2l s PRO 43 Ca 0.40 2.49 -0.05 0.00 0.02 0.00 0.00 61.00 63.86 1h2l s PRO 43 Cb -0.23 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1h2l s PRO 43 CO 0.28 -0.49 0.00 1.03 -0.33 0.00 0.00 177.00 177.49 1h2l s ARG 44 N -1.52 3.49 0.13 5.54 0.52 -1.26 -1.03 118.95 124.83 1h2l s ARG 44 Ca 0.55 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 55.16 1h2l s ARG 44 Cb -0.45 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 1h2l s ARG 44 CO 0.56 -0.19 0.12 -0.51 0.02 0.00 0.00 175.30 175.30 1h2l s LEU 45 N 1.53 1.57 0.35 2.53 1.43 0.00 -4.99 118.68 121.11 1h2l s LEU 45 Ca 0.06 -1.06 -0.25 0.00 -1.03 0.00 0.00 54.13 51.85 1h2l s LEU 45 Cb -0.15 0.60 -0.10 0.00 0.03 0.00 0.00 46.19 46.58 1h2l s LEU 45 CO -0.00 -0.77 1.00 -0.55 0.23 0.00 0.00 176.35 176.25 1h2l s SER 46 N -3.00 7.10 0.57 2.29 0.15 -1.26 -1.91 113.70 117.63 1h2l s SER 46 Ca 0.19 1.94 0.27 0.00 0.70 0.00 0.00 55.95 59.05 1h2l s SER 46 Cb 0.06 -2.58 1.69 0.00 -1.71 0.00 0.00 66.02 63.48 1h2l s SER 46 CO -0.00 -0.25 2.22 -0.61 1.20 0.00 0.00 173.24 175.80 1h2l h GLN 47 N 2.90 0.00 -0.00 5.44 -0.00 -1.94 -1.09 115.11 120.42 1h2l h GLN 47 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 1h2l h GLN 47 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.68 1h2l h GLN 47 CO 0.64 0.01 -0.14 -1.13 0.00 0.00 0.00 178.83 178.21 1h2l n SER 48 N -3.95 0.29 -4.68 -0.69 3.41 -1.26 -4.82 113.62 101.92 1h2l n SER 48 Ca -0.03 -0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.01 1h2l n SER 48 Cb 0.10 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 1h2l n SER 48 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1h2l s ASP 49 N -2.74 7.14 0.49 4.04 -1.08 -0.41 -4.91 116.67 119.20 1h2l s ASP 49 Ca 0.21 1.57 0.20 0.00 -0.52 0.00 0.00 52.55 54.01 1h2l s ASP 49 Cb 0.19 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 40.36 1h2l s ASP 49 CO 0.53 -0.56 2.00 -0.65 0.52 0.00 0.00 175.17 177.02 1h2l h PRO 50 N 7.35 0.14 -0.10 4.34 0.11 -1.88 0.22 132.00 142.18 1h2l h PRO 50 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1h2l h PRO 50 Cb 1.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1h2l h PRO 50 CO 0.90 0.09 -0.16 0.00 -0.21 0.00 0.00 178.00 178.62 1h2l h ARG 51 N 0.14 0.16 -0.38 1.05 3.08 -1.93 -0.99 114.38 115.51 1h2l h ARG 51 Ca 0.24 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 1h2l h ARG 51 Cb 0.75 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1h2l h ARG 51 CO -0.03 0.33 -0.04 0.00 -1.07 0.00 0.00 179.97 179.15 1h2l h ALA 52 N 1.69 0.52 -0.81 0.04 0.00 -0.82 -1.44 119.26 118.44 1h2l h ALA 52 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1h2l h ALA 52 Cb 0.38 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1h2l h ALA 52 CO 0.02 0.33 0.36 1.49 0.00 0.00 0.00 179.25 181.46 1h2l h GLU 53 N 0.52 1.18 -0.84 0.00 4.57 -1.38 -1.96 114.58 116.67 1h2l h GLU 53 Ca 0.10 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1h2l h GLU 53 Cb 0.53 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1h2l h GLU 53 CO 0.03 0.92 0.46 1.49 -1.18 0.00 0.00 179.01 180.73 1h2l h GLU 54 N 1.15 1.17 -0.24 1.92 4.81 -0.90 -1.14 114.58 121.35 1h2l h GLU 54 Ca 0.27 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1h2l h GLU 54 Cb 0.15 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1h2l h GLU 54 CO -0.03 0.85 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.00 1h2l h LEU 55 N 1.17 0.44 -0.40 1.64 3.38 -0.65 -1.99 115.31 118.90 1h2l h LEU 55 Ca 0.30 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1h2l h LEU 55 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1h2l h LEU 55 CO -0.05 0.68 0.18 0.40 0.09 0.00 0.00 178.44 179.74 1h2l h ILE 56 N 0.20 1.18 -0.88 1.22 2.04 -1.17 0.40 117.51 120.50 1h2l h ILE 56 Ca 0.06 -0.54 0.11 0.00 1.00 0.00 0.00 64.86 65.49 1h2l h ILE 56 Cb 0.47 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 1h2l h ILE 56 CO 0.02 0.20 0.57 -0.08 0.00 0.00 0.00 178.15 178.86 1h2l h GLU 57 N 0.50 0.79 -0.34 2.37 4.57 -1.16 -0.09 114.58 121.23 1h2l h GLU 57 Ca 0.14 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1h2l h GLU 57 Cb 0.15 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1h2l h GLU 57 CO -0.01 0.52 0.00 0.09 -1.18 0.00 0.00 179.01 178.43 1h2l n ASN 58 N -4.54 2.12 -3.50 1.04 4.13 -0.76 -4.93 115.26 108.82 1h2l n ASN 58 Ca 0.16 -1.91 -0.18 0.00 1.68 0.00 0.00 54.58 54.33 1h2l n ASN 58 Cb 0.35 -0.22 0.07 0.00 -1.54 0.00 0.00 39.78 38.44 1h2l n ASN 58 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1h2l n GLU 59 N 0.64 -6.12 -4.60 3.52 1.02 -0.05 -5.00 120.64 110.05 1h2l n GLU 59 Ca 0.15 0.79 -0.25 0.00 -0.02 0.00 0.00 57.16 57.83 1h2l n GLU 59 Cb 0.36 -5.68 -0.14 0.00 -0.02 0.00 0.00 31.44 25.96 1h2l n GLU 59 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1h2l s GLU 60 N -5.52 1.32 0.49 3.49 2.02 0.05 -4.85 118.70 115.71 1h2l s GLU 60 Ca 0.00 -0.92 -0.22 0.00 0.02 0.00 0.00 54.97 53.85 1h2l s GLU 60 Cb -0.00 -1.43 -0.07 0.00 0.10 0.00 0.00 34.13 32.73 1h2l s GLU 60 CO 0.75 0.36 1.19 -1.25 0.02 0.00 0.00 175.26 176.33 1h2l s PRO 61 N -1.18 3.57 -0.13 0.39 0.04 -1.26 -3.93 135.00 132.49 1h2l s PRO 61 Ca 0.07 1.82 -0.20 0.00 0.04 0.00 0.00 61.00 62.73 1h2l s PRO 61 Cb -0.09 -2.30 0.05 0.00 0.04 0.00 0.00 34.50 32.20 1h2l s PRO 61 CO 0.02 -0.72 0.51 0.54 0.04 0.00 0.00 177.00 177.38 1h2l s VAL 62 N -1.55 0.01 -0.27 -0.36 0.11 -1.24 -4.62 120.40 112.49 1h2l s VAL 62 Ca 0.67 -0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.49 1h2l s VAL 62 Cb -0.30 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1h2l s VAL 62 CO 0.35 -0.05 0.31 -0.69 -3.33 0.00 0.00 175.10 171.69 1h2l s VAL 63 N -0.29 5.23 -0.18 2.04 1.01 -0.20 -1.18 120.40 126.83 1h2l s VAL 63 Ca -0.05 0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.23 1h2l s VAL 63 Cb -0.03 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1h2l s VAL 63 CO 0.03 0.20 0.30 -0.76 0.00 0.00 0.00 175.10 174.87 1h2l s LEU 64 N 1.88 4.21 0.02 3.92 1.43 0.71 -0.82 118.68 130.03 1h2l s LEU 64 Ca 0.12 0.46 0.22 0.00 -1.03 0.00 0.00 54.13 53.91 1h2l s LEU 64 Cb -0.16 -2.38 -0.13 0.00 0.03 0.00 0.00 46.19 43.56 1h2l s LEU 64 CO 0.10 0.06 0.85 0.35 0.23 0.00 0.00 176.35 177.93 1h2l n THR 65 N 3.83 0.09 -2.66 5.49 -2.24 -0.80 -1.43 114.28 116.55 1h2l n THR 65 Ca -0.11 -0.25 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1h2l n THR 65 Cb 0.52 0.35 0.05 0.00 -2.10 0.00 0.00 70.33 69.14 1h2l n THR 65 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1h2l n ASP 66 N -1.93 2.11 0.14 3.42 5.68 -1.26 -4.64 116.55 120.06 1h2l n ASP 66 Ca 0.01 -2.34 0.02 0.00 -0.50 0.00 0.00 54.79 51.98 1h2l n ASP 66 Cb 0.45 -0.45 0.10 0.00 -1.14 0.00 0.00 41.12 40.08 1h2l n ASP 66 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1h2l h THR 67 N 5.05 1.03 -2.19 2.12 1.35 -1.82 -3.45 112.91 115.01 1h2l h THR 67 Ca -0.06 -2.21 -0.40 0.00 -0.55 0.00 0.00 66.41 63.19 1h2l h THR 67 Cb 1.35 2.34 -0.08 0.00 -1.73 0.00 0.00 68.15 70.03 1h2l h THR 67 CO 0.27 0.54 -0.44 0.59 -0.25 0.00 0.00 175.52 176.23 1h2l n ASN 68 N -3.35 -5.43 -0.18 5.36 3.02 -1.26 -4.89 115.26 108.53 1h2l n ASN 68 Ca 0.01 0.23 -0.01 0.00 -0.03 0.00 0.00 54.58 54.78 1h2l n ASN 68 Cb 0.70 -4.66 0.09 0.00 -0.61 0.00 0.00 39.78 35.30 1h2l n ASN 68 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1h2l h LEU 69 N 0.00 0.02 -3.76 3.41 5.85 -1.89 -2.90 115.31 116.04 1h2l h LEU 69 Ca -0.44 0.10 -0.49 0.00 0.84 0.00 0.00 57.88 57.89 1h2l h LEU 69 Cb 1.32 0.13 -0.39 0.00 0.37 0.00 0.00 40.66 42.09 1h2l h LEU 69 CO 0.57 0.03 -0.81 1.33 -0.34 0.00 0.00 178.44 179.22 1h2l n VAL 70 N -5.11 2.44 -0.22 1.05 0.24 -1.26 -0.89 118.33 114.57 1h2l n VAL 70 Ca 0.07 -4.07 0.00 0.00 -2.04 0.00 0.00 64.34 58.31 1h2l n VAL 70 Cb 0.28 -0.95 0.08 0.00 -1.47 0.00 0.00 33.84 31.78 1h2l n VAL 70 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1h2l h TYR 71 N 2.10 -0.27 0.00 6.34 3.20 -1.79 0.15 116.97 126.70 1h2l h TYR 71 Ca 0.32 0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.24 1h2l h TYR 71 Cb 1.49 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.98 1h2l h TYR 71 CO 0.82 -0.26 0.00 -1.35 -1.64 0.00 0.00 178.16 175.74 1h2l h PRO 72 N 0.02 0.00 -0.00 1.82 0.11 -1.84 -2.02 132.00 130.09 1h2l h PRO 72 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1h2l h PRO 72 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1h2l h PRO 72 CO -0.65 0.00 -0.17 0.00 -0.21 0.00 0.00 178.00 176.97 1h2l n ALA 73 N -2.08 2.87 0.30 -0.75 0.00 0.53 -3.97 120.51 117.41 1h2l n ALA 73 Ca -0.02 -0.29 0.18 0.00 0.00 0.00 0.00 53.44 53.31 1h2l n ALA 73 Cb 0.15 -1.28 0.94 0.00 0.00 0.00 0.00 19.45 19.25 1h2l n ALA 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1h2l h LEU 74 N 0.59 0.00 -0.04 0.00 3.38 -1.32 -0.42 115.31 117.50 1h2l h LEU 74 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h2l h LEU 74 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1h2l h LEU 74 CO 0.00 0.04 -0.31 2.29 0.09 0.00 0.00 178.44 180.55 1h2l n LYS 75 N -3.37 0.09 -1.76 1.13 2.85 -1.25 -4.92 118.16 110.93 1h2l n LYS 75 Ca -0.02 -0.04 -0.41 0.00 -1.05 0.00 0.00 58.31 56.79 1h2l n LYS 75 Cb 0.16 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.04 1h2l n LYS 75 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1h2l n TRP 76 N -1.42 2.90 -3.91 5.58 7.02 -0.17 -4.93 117.44 122.51 1h2l n TRP 76 Ca 0.07 0.46 -0.10 0.00 -1.02 0.00 0.00 57.50 56.91 1h2l n TRP 76 Cb 0.33 -2.52 -0.01 0.00 -2.42 0.00 0.00 31.31 26.69 1h2l n TRP 76 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 1h2l s ASP 77 N -0.15 0.12 0.24 -0.99 1.47 -1.26 -4.91 116.67 111.20 1h2l s ASP 77 Ca 0.54 -1.07 -0.07 0.00 1.18 0.00 0.00 52.55 53.13 1h2l s ASP 77 Cb -0.49 0.74 0.25 0.00 -0.34 0.00 0.00 42.92 43.07 1h2l s ASP 77 CO 0.63 -1.43 1.92 -0.07 0.68 0.00 0.00 175.17 176.90 1h2l h LEU 78 N 2.07 1.12 0.23 2.11 3.38 -1.99 -1.21 115.31 121.03 1h2l h LEU 78 Ca -0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1h2l h LEU 78 Cb 1.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1h2l h LEU 78 CO 0.36 0.81 -0.11 -0.08 0.09 0.00 0.00 178.44 179.51 1h2l h GLU 79 N 1.32 -0.30 -0.63 1.13 4.81 -1.98 0.18 114.58 119.12 1h2l h GLU 79 Ca 0.36 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.63 1h2l h GLU 79 Cb -0.15 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1h2l h GLU 79 CO -0.08 -0.12 0.40 -0.92 -0.73 0.00 0.00 179.01 177.56 1h2l h TYR 80 N -0.41 0.75 -0.44 0.92 3.20 -1.86 -1.53 116.97 117.59 1h2l h TYR 80 Ca -0.03 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1h2l h TYR 80 Cb 0.31 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1h2l h TYR 80 CO -0.03 0.44 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.71 1h2l h LEU 81 N 0.79 0.90 -1.17 2.82 3.38 -1.08 -1.44 115.31 119.51 1h2l h LEU 81 Ca 0.24 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1h2l h LEU 81 Cb -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1h2l h LEU 81 CO -0.08 1.07 0.52 -0.61 0.09 0.00 0.00 178.44 179.43 1h2l h GLN 82 N 0.72 1.08 0.00 1.13 4.15 -0.44 0.23 115.11 121.97 1h2l h GLN 82 Ca 0.11 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.35 1h2l h GLN 82 Cb 0.70 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1h2l h GLN 82 CO 0.05 0.73 -0.47 1.49 -1.93 0.00 0.00 178.83 178.70 1h2l h GLU 83 N 1.10 0.00 0.00 1.69 4.57 -1.00 -3.39 114.58 117.55 1h2l h GLU 83 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1h2l h GLU 83 Cb -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1h2l h GLU 83 CO -0.06 0.47 0.00 0.09 -1.18 0.00 0.00 179.01 178.33 1h2l n ASN 84 N -3.49 0.06 -0.18 1.04 3.02 -0.57 -4.79 115.26 110.35 1h2l n ASN 84 Ca 0.00 -0.39 0.09 0.00 -0.03 0.00 0.00 54.58 54.25 1h2l n ASN 84 Cb 0.60 0.62 0.45 0.00 -0.61 0.00 0.00 39.78 40.83 1h2l n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1h2l n ILE 85 N -0.62 0.08 -1.82 2.41 3.06 0.76 -1.96 119.36 121.26 1h2l n ILE 85 Ca 0.00 -0.12 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1h2l n ILE 85 Cb 0.01 -0.06 0.00 0.00 0.54 0.00 0.00 39.64 40.13 1h2l n ILE 85 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1h2l n GLY 86 N 0.88 -2.25 0.65 4.50 0.00 -1.26 -3.78 105.19 103.93 1h2l n GLY 86 Ca 0.14 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.55 1h2l n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h2l n ASN 87 N 0.29 3.41 -4.70 1.61 5.03 -1.26 -4.72 115.26 114.92 1h2l n ASN 87 Ca 0.00 -2.98 -0.29 0.00 0.87 0.00 0.00 54.58 52.18 1h2l n ASN 87 Cb 0.00 -0.49 0.16 0.00 -1.02 0.00 0.00 39.78 38.43 1h2l n ASN 87 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1h2l s GLY 88 N -2.14 1.58 0.38 7.41 0.00 -1.26 -4.95 107.32 108.35 1h2l s GLY 88 Ca 0.38 -0.28 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 1h2l s GLY 88 CO 0.07 0.29 0.90 0.99 0.00 0.00 0.00 173.10 175.35 1h2l s ASP 89 N -3.50 6.97 -0.06 1.64 1.01 -1.26 -4.45 116.67 117.02 1h2l s ASP 89 Ca 0.64 1.62 0.03 0.00 0.71 0.00 0.00 52.55 55.56 1h2l s ASP 89 Cb -0.18 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.25 1h2l s ASP 89 CO 0.57 -0.27 -0.15 -0.36 0.21 0.00 0.00 175.17 175.17 1h2l s PHE 90 N -2.03 1.61 -0.10 4.23 0.40 0.29 -4.90 117.98 117.48 1h2l s PHE 90 Ca 0.58 -0.55 -0.30 0.00 -0.60 0.00 0.00 56.93 56.06 1h2l s PHE 90 Cb -0.11 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.27 1h2l s PHE 90 CO 0.16 -0.24 1.11 -1.12 0.70 0.00 0.00 175.22 175.83 1h2l s SER 91 N 0.39 7.13 -0.10 1.36 0.01 -1.26 -1.33 113.70 119.89 1h2l s SER 91 Ca -0.11 1.66 0.01 0.00 1.31 0.00 0.00 55.95 58.82 1h2l s SER 91 Cb -0.14 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.55 1h2l s SER 91 CO 0.04 -0.55 -0.11 -0.69 0.41 0.00 0.00 173.24 172.34 1h2l s VAL 92 N 2.30 1.16 0.06 3.43 1.01 0.45 -1.68 120.40 127.12 1h2l s VAL 92 Ca 0.52 -0.42 -0.14 0.00 0.00 0.00 0.00 61.98 61.93 1h2l s VAL 92 Cb -0.21 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1h2l s VAL 92 CO 0.19 0.38 0.46 -0.31 0.00 0.00 0.00 175.10 175.81 1h2l s TYR 93 N 1.25 3.68 -0.05 5.22 2.02 -0.02 -0.43 117.35 129.03 1h2l s TYR 93 Ca -0.03 1.00 0.05 0.00 -0.37 0.00 0.00 57.07 57.72 1h2l s TYR 93 Cb -0.14 -2.30 -0.01 0.00 -0.40 0.00 0.00 41.96 39.11 1h2l s TYR 93 CO -0.04 0.57 -0.22 0.45 -1.57 0.00 0.00 175.55 174.74 1h2l s SER 94 N -1.37 2.66 0.09 2.29 0.15 0.07 -0.91 113.70 116.68 1h2l s SER 94 Ca 0.29 -0.44 -0.09 0.00 0.70 0.00 0.00 55.95 56.41 1h2l s SER 94 Cb -0.16 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 1h2l s SER 94 CO 0.16 0.21 0.21 0.00 1.20 0.00 0.00 173.24 175.02 1h2l s ALA 95 N -0.12 -0.29 -1.77 5.45 0.00 -0.72 -1.08 121.76 123.21 1h2l s ALA 95 Ca -0.02 -0.55 0.18 0.00 0.00 0.00 0.00 51.96 51.56 1h2l s ALA 95 Cb -0.12 0.49 0.38 0.00 0.00 0.00 0.00 23.12 23.86 1h2l s ALA 95 CO 0.03 -0.51 1.30 0.45 0.00 0.00 0.00 175.76 177.03 1h2l n SER 96 N -0.03 3.17 -4.39 0.00 2.88 -1.26 -1.53 113.62 112.47 1h2l n SER 96 Ca -0.15 -1.92 -0.20 0.00 -1.33 0.00 0.00 58.87 55.27 1h2l n SER 96 Cb 0.62 -0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 63.73 1h2l n SER 96 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1h2l s THR 97 N -1.18 1.76 -0.43 2.46 -1.32 -1.26 -4.97 115.64 110.71 1h2l s THR 97 Ca 0.32 -2.19 0.25 0.00 -1.21 0.00 0.00 61.69 58.86 1h2l s THR 97 Cb 0.18 -2.23 0.27 0.00 -1.51 0.00 0.00 72.50 69.21 1h2l s THR 97 CO 0.25 -0.46 1.76 1.12 -2.21 0.00 0.00 174.62 175.08 1h2l h HIS 98 N 2.42 0.00 -3.46 9.09 -0.00 -1.92 -3.44 115.15 117.84 1h2l h HIS 98 Ca -0.39 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.37 1h2l h HIS 98 Cb 1.23 0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.53 1h2l h HIS 98 CO 0.71 0.00 0.26 0.15 -0.00 0.00 0.00 177.93 179.05 1h2l s LYS 99 N -3.34 4.02 -0.99 5.12 1.02 -1.26 -1.11 119.74 123.20 1h2l s LYS 99 Ca 0.05 0.54 -0.02 0.00 0.02 0.00 0.00 55.97 56.56 1h2l s LYS 99 Cb 0.09 -3.69 0.30 0.00 -0.52 0.00 0.00 37.83 34.01 1h2l s LYS 99 CO 0.44 -0.54 1.35 1.19 -0.92 0.00 0.00 175.35 176.87 1h2l n PHE 100 N 5.93 2.50 -1.66 3.18 3.01 0.72 -4.87 117.46 126.27 1h2l n PHE 100 Ca 0.01 -2.88 -0.44 0.00 1.01 0.00 0.00 57.45 55.16 1h2l n PHE 100 Cb 0.48 -1.11 -0.04 0.00 -0.01 0.00 0.00 39.48 38.81 1h2l n PHE 100 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1h2l n LEU 101 N 1.20 3.86 -4.77 4.37 7.94 -1.26 -4.37 117.00 123.97 1h2l n LEU 101 Ca 0.27 0.85 -0.40 0.00 -1.11 0.00 0.00 56.01 55.62 1h2l n LEU 101 Cb 0.35 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 42.79 1h2l n LEU 101 CO 0.67 0.04 0.92 -0.47 -1.11 0.00 0.00 177.39 177.43 1h2l s TYR 102 N 4.79 3.08 -0.01 1.96 5.04 -1.26 -4.88 117.35 126.06 1h2l s TYR 102 Ca 0.92 1.48 -0.04 0.00 -2.44 0.00 0.00 57.07 56.99 1h2l s TYR 102 Cb -0.50 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.25 1h2l s TYR 102 CO 0.44 -1.61 0.08 1.52 -1.34 0.00 0.00 175.55 174.65 1h2l s TYR 103 N -1.23 0.01 -0.41 4.97 1.13 -1.26 -4.58 117.35 115.98 1h2l s TYR 103 Ca 0.52 -0.00 -0.19 0.00 -1.41 0.00 0.00 57.07 55.99 1h2l s TYR 103 Cb -0.36 -0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.48 1h2l s TYR 103 CO 0.47 -0.14 0.54 0.34 -2.51 0.00 0.00 175.55 174.25 1h2l s ASP 104 N -0.64 6.27 0.43 -0.18 -1.08 -0.04 -4.94 116.67 116.49 1h2l s ASP 104 Ca -0.07 -0.39 0.10 0.00 -0.52 0.00 0.00 52.55 51.67 1h2l s ASP 104 Cb -0.04 -2.27 0.95 0.00 -1.46 0.00 0.00 42.92 40.09 1h2l s ASP 104 CO 0.00 -0.64 2.04 -0.33 0.52 0.00 0.00 175.17 176.77 1h2l h GLU 105 N 8.73 0.45 0.00 4.34 5.08 -2.00 -1.89 114.58 129.28 1h2l h GLU 105 Ca -0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1h2l h GLU 105 Cb 1.11 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1h2l h GLU 105 CO 0.83 0.30 -0.06 0.87 -1.00 0.00 0.00 179.01 179.95 1h2l h LYS 106 N 0.46 0.00 -0.01 2.33 6.56 -1.98 -1.80 116.57 122.13 1h2l h LYS 106 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 1h2l h LYS 106 Cb 0.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1h2l h LYS 106 CO -0.04 0.06 -0.18 1.63 -2.06 0.00 0.00 179.45 178.86 1h2l n LYS 107 N -3.30 1.37 0.05 3.15 5.02 -0.71 -4.39 118.16 119.35 1h2l n LYS 107 Ca -0.01 -0.93 0.02 0.00 -2.02 0.00 0.00 58.31 55.37 1h2l n LYS 107 Cb 0.23 -1.48 0.36 0.00 -0.02 0.00 0.00 35.03 34.12 1h2l n LYS 107 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1h2l h MET 108 N 2.27 0.40 -0.38 1.97 2.86 -1.35 -2.87 114.93 117.82 1h2l h MET 108 Ca 0.00 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 1h2l h MET 108 Cb 0.62 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1h2l h MET 108 CO 0.00 0.44 0.25 0.00 1.06 0.00 0.00 176.91 178.67 1h2l h ALA 109 N 1.60 1.85 -0.00 6.32 0.00 -1.78 -2.05 119.26 125.20 1h2l h ALA 109 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1h2l h ALA 109 Cb 0.29 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1h2l h ALA 109 CO 0.01 0.10 -0.05 0.09 0.00 0.00 0.00 179.25 179.40 1h2l n ASN 110 N -4.48 0.42 -3.21 0.00 3.02 -1.08 -4.07 115.26 105.86 1h2l n ASN 110 Ca 0.04 -0.78 -0.24 0.00 -0.03 0.00 0.00 54.58 53.56 1h2l n ASN 110 Cb 0.15 -0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 1h2l n ASN 110 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1h2l n PHE 111 N -0.84 -0.48 0.10 3.10 3.01 -0.77 -4.88 117.46 116.69 1h2l n PHE 111 Ca 0.18 -3.50 0.19 0.00 1.01 0.00 0.00 57.45 55.33 1h2l n PHE 111 Cb 0.23 -0.25 0.75 0.00 -0.01 0.00 0.00 39.48 40.21 1h2l n PHE 111 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1h2l h GLN 112 N 4.22 0.00 -0.02 -1.08 1.08 -1.70 -0.68 115.11 116.92 1h2l h GLN 112 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1h2l h GLN 112 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1h2l h GLN 112 CO 0.45 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 178.42 1h2l n ASN 113 N -3.98 0.61 -4.67 1.46 3.02 -1.26 -4.82 115.26 105.62 1h2l n ASN 113 Ca 0.06 -1.30 -0.41 0.00 -0.03 0.00 0.00 54.58 52.90 1h2l n ASN 113 Cb 0.52 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.63 1h2l n ASN 113 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1h2l s PHE 114 N -1.97 3.42 -0.31 3.10 5.36 -0.26 -5.02 117.98 122.30 1h2l s PHE 114 Ca 0.40 1.23 0.02 0.00 -0.96 0.00 0.00 56.93 57.61 1h2l s PHE 114 Cb 0.19 -2.99 0.08 0.00 -0.34 0.00 0.00 43.02 39.96 1h2l s PHE 114 CO 0.32 -0.22 0.00 0.15 -1.46 0.00 0.00 175.22 174.01 1h2l s LYS 115 N 2.07 2.02 0.33 10.12 -0.14 -1.26 -5.08 119.74 127.80 1h2l s LYS 115 Ca 0.37 -1.55 -0.29 0.00 -1.36 0.00 0.00 55.97 53.14 1h2l s LYS 115 Cb -0.17 -3.14 -0.11 0.00 -1.68 0.00 0.00 37.83 32.74 1h2l s LYS 115 CO 0.12 -0.76 1.45 -2.14 -0.76 0.00 0.00 175.35 173.27 1h2l s PRO 116 N 1.08 4.20 0.05 -1.68 0.02 -1.26 -4.90 135.00 132.51 1h2l s PRO 116 Ca 0.00 2.44 0.27 0.00 0.02 0.00 0.00 61.00 63.73 1h2l s PRO 116 Cb -0.20 -3.03 0.83 0.00 0.02 0.00 0.00 34.50 32.12 1h2l s PRO 116 CO -0.05 -0.45 1.67 2.89 -0.33 0.00 0.00 177.00 180.73 1h2l n ARG 117 N 1.15 0.09 -4.24 5.54 0.00 -1.26 -4.82 116.66 113.11 1h2l n ARG 117 Ca 0.03 0.05 -0.21 0.00 -0.00 0.00 0.00 57.85 57.72 1h2l n ARG 117 Cb 0.40 -1.58 -0.12 0.00 -0.00 0.00 0.00 32.46 31.16 1h2l n ARG 117 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1h2l s SER 118 N -3.43 2.17 0.04 2.89 1.04 -1.26 -4.24 113.70 110.92 1h2l s SER 118 Ca 0.11 -0.69 0.09 0.00 0.48 0.00 0.00 55.95 55.94 1h2l s SER 118 Cb 0.17 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 1h2l s SER 118 CO 0.62 -0.02 -0.26 0.20 0.98 0.00 0.00 173.24 174.76 1h2l s ASN 119 N -1.98 3.06 -0.07 7.02 0.01 -0.24 -4.92 114.94 117.81 1h2l s ASN 119 Ca 0.04 -0.57 -0.13 0.00 -0.71 0.00 0.00 52.86 51.50 1h2l s ASN 119 Cb -0.09 -0.28 -0.05 0.00 0.41 0.00 0.00 41.25 41.24 1h2l s ASN 119 CO 0.04 0.25 0.33 -0.60 -1.51 0.00 0.00 177.10 175.61 1h2l s ARG 120 N -1.15 3.94 -0.01 -0.60 3.52 -1.26 -0.75 118.95 122.65 1h2l s ARG 120 Ca 0.11 0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.96 1h2l s ARG 120 Cb -0.10 -3.28 -0.00 0.00 -1.56 0.00 0.00 34.95 30.01 1h2l s ARG 120 CO 0.02 0.55 -0.07 -2.00 -0.81 0.00 0.00 175.30 172.99 1h2l s GLU 121 N -0.55 0.56 -0.19 5.12 2.12 0.43 -4.97 118.70 121.22 1h2l s GLU 121 Ca 0.20 -0.23 -0.13 0.00 0.36 0.00 0.00 54.97 55.17 1h2l s GLU 121 Cb -0.15 -0.55 -0.05 0.00 0.26 0.00 0.00 34.13 33.65 1h2l s GLU 121 CO 0.09 0.13 0.28 -1.21 -0.54 0.00 0.00 175.26 174.01 1h2l s GLU 122 N -0.09 4.20 0.25 4.30 0.41 -1.26 -0.41 118.70 126.09 1h2l s GLU 122 Ca 0.02 0.02 -0.10 0.00 -0.41 0.00 0.00 54.97 54.49 1h2l s GLU 122 Cb -0.03 -3.47 -0.01 0.00 -1.78 0.00 0.00 34.13 28.83 1h2l s GLU 122 CO -0.00 0.14 0.43 0.00 -0.49 0.00 0.00 175.26 175.34 1h2l s MET 123 N 0.78 1.53 0.62 1.61 0.23 -0.45 -4.88 119.30 118.74 1h2l s MET 123 Ca 0.15 -1.35 -0.12 0.00 -1.03 0.00 0.00 55.69 53.33 1h2l s MET 123 Cb -0.13 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1h2l s MET 123 CO 0.04 -0.62 1.03 0.15 -2.03 0.00 0.00 175.02 173.59 1h2l s LYS 124 N -3.94 3.50 0.14 3.16 -0.14 -1.26 0.10 119.74 121.30 1h2l s LYS 124 Ca 0.25 0.85 -0.16 0.00 -1.36 0.00 0.00 55.97 55.55 1h2l s LYS 124 Cb 0.00 -2.07 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1h2l s LYS 124 CO 0.10 -0.65 1.77 0.35 -0.76 0.00 0.00 175.35 176.16 1h2l h PHE 125 N -0.18 0.52 0.00 3.18 3.57 -1.84 -1.11 116.94 121.08 1h2l h PHE 125 Ca -0.44 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1h2l h PHE 125 Cb 1.19 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 1h2l h PHE 125 CO 0.64 0.38 -0.00 1.12 -2.23 0.00 0.00 178.31 178.23 1h2l h HIS 126 N 0.51 0.00 -0.17 0.41 2.07 -1.92 -0.24 115.15 115.82 1h2l h HIS 126 Ca 0.14 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.45 1h2l h HIS 126 Cb 0.02 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.00 1h2l h HIS 126 CO -0.03 0.00 -0.72 0.93 -3.07 0.00 0.00 177.93 175.04 1h2l h GLU 127 N 0.00 0.74 -0.39 5.12 5.08 -1.60 -1.50 114.58 122.03 1h2l h GLU 127 Ca -0.00 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1h2l h GLU 127 Cb 0.00 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1h2l h GLU 127 CO 0.00 1.19 0.22 0.35 -1.00 0.00 0.00 179.01 179.76 1h2l h PHE 128 N 0.52 0.53 -0.13 4.33 3.57 -0.45 0.12 116.94 125.43 1h2l h PHE 128 Ca -0.03 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1h2l h PHE 128 Cb 1.33 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1h2l h PHE 128 CO 0.08 0.41 0.07 0.28 -2.23 0.00 0.00 178.31 176.91 1h2l h VAL 129 N 0.50 1.10 -0.43 1.41 2.07 -1.23 -0.10 116.25 119.57 1h2l h VAL 129 Ca 0.14 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1h2l h VAL 129 Cb 0.05 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1h2l h VAL 129 CO -0.02 0.10 0.21 -0.33 0.02 0.00 0.00 177.57 177.54 1h2l h GLU 130 N 0.10 0.40 -0.65 1.57 5.08 -1.10 0.56 114.58 120.54 1h2l h GLU 130 Ca 0.04 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1h2l h GLU 130 Cb 0.09 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1h2l h GLU 130 CO -0.01 0.27 0.38 0.87 -1.00 0.00 0.00 179.01 179.51 1h2l h LYS 131 N 0.41 0.69 -0.89 2.33 1.57 -0.64 0.05 116.57 120.09 1h2l h LYS 131 Ca 0.19 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1h2l h LYS 131 Cb 0.11 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1h2l h LYS 131 CO -0.14 0.46 0.53 -0.07 -0.57 0.00 0.00 179.45 179.66 1h2l h LEU 132 N 0.71 1.08 -0.35 2.94 3.38 -0.00 -2.46 115.31 120.61 1h2l h LEU 132 Ca 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1h2l h LEU 132 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1h2l h LEU 132 CO -0.15 0.84 0.18 1.56 0.09 0.00 0.00 178.44 180.95 1h2l h GLN 133 N 1.23 0.49 -0.56 1.13 4.20 0.02 -2.60 115.11 119.03 1h2l h GLN 133 Ca 0.32 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 1h2l h GLN 133 Cb -0.04 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 1h2l h GLN 133 CO -0.06 0.43 0.18 0.22 -0.67 0.00 0.00 178.83 178.93 1h2l h ASP 134 N 0.43 0.77 -0.03 1.46 1.82 -0.73 -1.63 116.42 118.51 1h2l h ASP 134 Ca 0.12 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1h2l h ASP 134 Cb 0.09 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.90 1h2l h ASP 134 CO -0.02 0.73 0.01 0.40 -1.61 0.00 0.00 179.24 178.75 1h2l h ILE 135 N 0.82 1.20 0.17 2.25 2.04 -1.36 -1.22 117.51 121.41 1h2l h ILE 135 Ca 0.19 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1h2l h ILE 135 Cb 0.24 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 1h2l h ILE 135 CO -0.01 0.16 -0.38 1.56 0.00 0.00 0.00 178.15 179.48 1h2l h GLN 136 N -0.19 -0.62 -0.93 2.37 4.20 -1.22 -0.66 115.11 118.06 1h2l h GLN 136 Ca 0.01 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1h2l h GLN 136 Cb 0.25 0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.13 1h2l h GLN 136 CO 0.00 -0.42 0.61 -0.56 -0.67 0.00 0.00 178.83 177.80 1h2l h GLN 137 N -0.65 1.19 -0.29 1.46 -0.00 -1.28 -1.52 115.11 114.03 1h2l h GLN 137 Ca 0.01 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1h2l h GLN 137 Cb 0.65 -0.27 0.00 0.00 -0.00 0.00 0.00 27.48 27.87 1h2l h GLN 137 CO -0.19 0.79 0.00 2.89 -0.00 0.00 0.00 178.83 182.32 1h2l n ARG 138 N -4.46 1.71 -2.01 0.06 1.85 -0.46 -4.90 116.66 108.45 1h2l n ARG 138 Ca 0.11 -1.10 -0.15 0.00 -1.00 0.00 0.00 57.85 55.71 1h2l n ARG 138 Cb 0.04 -1.27 -0.03 0.00 -1.05 0.00 0.00 32.46 30.15 1h2l n ARG 138 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1h2l n GLY 139 N 1.01 0.34 3.70 2.89 0.00 -0.51 -4.93 105.19 107.69 1h2l n GLY 139 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1h2l n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h2l s GLY 140 N -2.15 1.74 0.00 -0.02 0.00 -0.37 -4.95 107.32 101.56 1h2l s GLY 140 Ca 0.00 0.54 0.23 0.00 0.00 0.00 0.00 44.72 45.48 1h2l s GLY 140 CO 0.00 0.94 1.09 1.18 0.00 0.00 0.00 173.10 176.31 1h2l n GLU 141 N -3.95 1.00 -1.62 2.90 -0.58 -1.26 -4.86 120.64 112.28 1h2l n GLU 141 Ca 0.11 -0.82 -0.37 0.00 -0.42 0.00 0.00 57.16 55.66 1h2l n GLU 141 Cb 0.52 -1.48 0.07 0.00 -0.57 0.00 0.00 31.44 29.98 1h2l n GLU 141 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1h2l n GLU 142 N -0.28 0.91 -4.63 3.49 2.13 -1.26 -4.87 120.64 116.13 1h2l n GLU 142 Ca 0.09 0.36 -0.23 0.00 0.66 0.00 0.00 57.16 58.04 1h2l n GLU 142 Cb 0.44 -2.35 -0.15 0.00 0.27 0.00 0.00 31.44 29.65 1h2l n GLU 142 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1h2l s ARG 143 N -3.17 1.21 0.13 5.31 0.52 -0.58 -5.01 118.95 117.37 1h2l s ARG 143 Ca 0.79 -0.68 0.11 0.00 -0.52 0.00 0.00 55.73 55.42 1h2l s ARG 143 Cb -0.38 -1.21 -0.04 0.00 0.52 0.00 0.00 34.95 33.83 1h2l s ARG 143 CO 0.44 0.32 -0.24 -0.51 0.02 0.00 0.00 175.30 175.33 1h2l s LEU 144 N -0.71 2.43 -0.18 2.53 1.43 -1.26 -1.76 118.68 121.16 1h2l s LEU 144 Ca 0.05 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.39 1h2l s LEU 144 Cb -0.07 -1.30 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1h2l s LEU 144 CO 0.00 0.17 0.15 -0.47 0.23 0.00 0.00 176.35 176.44 1h2l s TYR 145 N -1.15 -0.04 -0.05 0.29 6.14 -0.09 -3.60 117.35 118.85 1h2l s TYR 145 Ca 0.16 -0.00 -0.26 0.00 0.64 0.00 0.00 57.07 57.60 1h2l s TYR 145 Cb -0.10 -0.51 -0.03 0.00 0.42 0.00 0.00 41.96 41.73 1h2l s TYR 145 CO 0.07 -0.53 0.81 -1.17 0.64 0.00 0.00 175.55 175.37 1h2l s LEU 146 N 2.23 4.33 -0.27 6.97 0.20 -0.22 -0.84 118.68 131.08 1h2l s LEU 146 Ca 0.04 1.36 -0.03 0.00 0.69 0.00 0.00 54.13 56.20 1h2l s LEU 146 Cb -0.16 -3.26 0.11 0.00 -0.43 0.00 0.00 46.19 42.45 1h2l s LEU 146 CO -0.10 -0.18 0.21 -1.10 -0.29 0.00 0.00 176.35 174.89 1h2l s GLN 147 N 0.93 0.24 -0.06 1.98 -0.21 -0.68 -1.00 119.66 120.85 1h2l s GLN 147 Ca 0.43 -0.26 -0.03 0.00 0.02 0.00 0.00 55.36 55.52 1h2l s GLN 147 Cb -0.19 -0.99 0.04 0.00 1.00 0.00 0.00 33.01 32.87 1h2l s GLN 147 CO 0.21 -0.97 0.14 -1.14 -2.12 0.00 0.00 175.29 171.41 1h2l s GLN 148 N 2.24 0.07 0.16 2.91 2.00 -0.68 -4.33 119.66 122.03 1h2l s GLN 148 Ca 0.09 0.38 -0.31 0.00 -2.00 0.00 0.00 55.36 53.51 1h2l s GLN 148 Cb -0.15 -0.20 -0.09 0.00 0.80 0.00 0.00 33.01 33.36 1h2l s GLN 148 CO -0.31 -0.19 1.48 0.99 -0.50 0.00 0.00 175.29 176.76 1h2l s THR 149 N 1.32 2.90 0.09 -0.34 2.01 -1.26 -0.39 115.64 119.97 1h2l s THR 149 Ca -0.07 0.66 -0.31 0.00 0.31 0.00 0.00 61.69 62.28 1h2l s THR 149 Cb -0.12 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 1h2l s THR 149 CO -0.06 0.06 1.46 -0.76 -0.69 0.00 0.00 174.62 174.63 1h2l s LEU 150 N 0.91 4.36 0.00 4.42 1.43 0.04 -4.89 118.68 124.95 1h2l s LEU 150 Ca 0.66 2.35 0.00 0.00 -1.03 0.00 0.00 54.13 56.11 1h2l s LEU 150 Cb -0.41 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.24 1h2l s LEU 150 CO 0.32 -0.73 0.00 -0.46 0.23 0.00 0.00 176.35 175.71 1h2l n ASN 151 N 4.53 0.22 0.00 2.29 0.23 -1.26 -4.74 115.26 116.53 1h2l n ASN 151 Ca 0.13 -0.98 0.02 0.00 -0.53 0.00 0.00 54.58 53.22 1h2l n ASN 151 Cb 0.42 0.00 0.08 0.00 -2.08 0.00 0.00 39.78 38.20 1h2l n ASN 151 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1h2l n ASP 152 N -2.73 0.00 -0.25 0.53 8.00 -1.26 -2.65 116.55 118.20 1h2l n ASP 152 Ca 0.00 0.46 0.13 0.00 0.71 0.00 0.00 54.79 56.09 1h2l n ASP 152 Cb 0.00 -0.47 0.38 0.00 -0.02 0.00 0.00 41.12 41.01 1h2l n ASP 152 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1h2l n THR 153 N -1.47 0.00 -1.75 -3.53 -2.24 -1.26 -4.91 114.28 99.12 1h2l n THR 153 Ca 0.01 -0.13 -0.35 0.00 -2.27 0.00 0.00 64.05 61.31 1h2l n THR 153 Cb 0.04 0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.73 1h2l n THR 153 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h2l s VAL 154 N -2.50 2.59 0.92 2.28 -7.23 -1.08 -4.30 120.40 111.08 1h2l s VAL 154 Ca 0.24 0.32 -0.14 0.00 -1.81 0.00 0.00 61.98 60.60 1h2l s VAL 154 Cb 0.19 -2.98 0.15 0.00 0.56 0.00 0.00 36.38 34.30 1h2l s VAL 154 CO 0.52 -0.12 1.22 -0.83 -0.31 0.00 0.00 175.10 175.58 1h2l s GLY 155 N -1.90 1.66 0.18 2.32 0.00 -0.83 -4.77 107.32 103.98 1h2l s GLY 155 Ca 0.75 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 44.47 1h2l s GLY 155 CO 0.39 -0.22 1.74 3.21 0.00 0.00 0.00 173.10 178.22 1h2l h ARG 156 N -1.49 0.31 -0.84 2.90 2.47 -1.95 0.98 114.38 116.76 1h2l h ARG 156 Ca -0.46 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.21 1h2l h ARG 156 Cb 1.29 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.50 1h2l h ARG 156 CO 0.52 0.20 0.41 0.87 0.56 0.00 0.00 179.97 182.54 1h2l h LYS 157 N 0.32 1.21 -0.33 0.04 6.56 -1.94 0.19 116.57 122.61 1h2l h LYS 157 Ca 0.23 -0.17 -0.13 0.00 -1.06 0.00 0.00 60.65 59.52 1h2l h LYS 157 Cb 0.25 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.68 1h2l h LYS 157 CO -0.25 0.92 -0.32 0.82 -2.06 0.00 0.00 179.45 178.57 1h2l h ILE 158 N 1.20 1.28 -0.56 1.86 1.08 -1.50 -0.13 117.51 120.74 1h2l h ILE 158 Ca 0.29 -1.46 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1h2l h ILE 158 Cb 0.11 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.19 1h2l h ILE 158 CO -0.04 0.48 0.35 0.58 -0.69 0.00 0.00 178.15 178.83 1h2l h VAL 159 N 0.61 1.16 -0.30 1.67 2.07 -0.33 0.59 116.25 121.72 1h2l h VAL 159 Ca 0.07 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1h2l h VAL 159 Cb 0.84 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1h2l h VAL 159 CO 0.07 0.15 0.17 0.24 0.02 0.00 0.00 177.57 178.22 1h2l h MET 160 N 0.75 0.42 -0.25 1.57 2.86 -0.01 -1.68 114.93 118.59 1h2l h MET 160 Ca 0.20 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1h2l h MET 160 Cb -0.05 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1h2l h MET 160 CO -0.04 0.35 0.08 -0.44 1.06 0.00 0.00 176.91 177.93 1h2l h ASP 161 N 0.37 0.09 -0.69 1.22 3.32 -0.68 -2.33 116.42 117.72 1h2l h ASP 161 Ca 0.11 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1h2l h ASP 161 Cb 0.05 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1h2l h ASP 161 CO -0.02 0.09 0.45 0.15 -1.72 0.00 0.00 179.24 178.19 1h2l h PHE 162 N 0.20 0.85 0.00 4.55 3.57 -0.74 -1.15 116.94 124.21 1h2l h PHE 162 Ca 0.11 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1h2l h PHE 162 Cb 0.08 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.53 1h2l h PHE 162 CO -0.13 0.52 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.24 1h2l h LEU 163 N 0.91 0.00 -0.28 0.59 3.38 -1.13 -2.26 115.31 116.52 1h2l h LEU 163 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1h2l h LEU 163 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1h2l h LEU 163 CO -0.07 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1h2l n GLY 164 N -0.40 -0.67 3.76 0.83 0.00 -0.45 -4.87 105.19 103.39 1h2l n GLY 164 Ca -0.01 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1h2l n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h2l s PHE 165 N -1.94 2.54 -1.42 1.61 0.08 -0.85 -4.56 117.98 113.43 1h2l s PHE 165 Ca 0.27 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.73 1h2l s PHE 165 Cb 0.13 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.52 1h2l s PHE 165 CO 0.21 -1.83 2.11 -1.71 -0.10 0.00 0.00 175.22 173.90 1h2l n ASN 166 N -3.23 4.12 0.09 1.36 2.85 -0.07 -4.70 115.26 115.68 1h2l n ASN 166 Ca 0.10 -2.86 0.01 0.00 -0.11 0.00 0.00 54.58 51.72 1h2l n ASN 166 Cb 0.53 -1.68 0.34 0.00 1.24 0.00 0.00 39.78 40.21 1h2l n ASN 166 CO 0.00 0.00 0.00 -0.50 -2.11 0.00 0.00 177.26 174.65 1h2l h TRP 167 N 6.36 0.30 -0.11 1.20 4.06 -1.90 -2.08 115.95 123.79 1h2l h TRP 167 Ca 0.54 -0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.47 1h2l h TRP 167 Cb 0.69 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 1h2l h TRP 167 CO 1.45 0.44 -0.05 -0.97 -3.56 0.00 0.00 178.44 175.76 1h2l h ASN 168 N 0.27 -0.17 -0.15 -3.49 -1.24 -1.99 0.32 115.58 109.14 1h2l h ASN 168 Ca 0.05 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.06 1h2l h ASN 168 Cb 0.45 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 1h2l h ASN 168 CO 0.03 -0.07 -0.09 -0.25 -1.29 0.00 0.00 177.43 175.76 1h2l h TRP 169 N -0.04 0.37 -0.05 0.67 7.01 -1.90 -2.65 115.95 119.35 1h2l h TRP 169 Ca 0.06 -0.10 -0.16 0.00 2.11 0.00 0.00 58.89 60.81 1h2l h TRP 169 Cb 0.13 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1h2l h TRP 169 CO -0.17 0.66 -0.66 0.97 -2.79 0.00 0.00 178.44 176.45 1h2l h ILE 170 N -0.03 1.41 -0.61 2.65 2.10 -1.28 -2.50 117.51 119.26 1h2l h ILE 170 Ca 0.03 -2.11 -0.07 0.00 1.08 0.00 0.00 64.86 63.79 1h2l h ILE 170 Cb 0.58 2.10 -0.03 0.00 -1.09 0.00 0.00 36.82 38.38 1h2l h ILE 170 CO 0.02 0.62 0.11 0.78 -1.08 0.00 0.00 178.15 178.60 1h2l h ASN 171 N 0.16 0.93 -0.76 2.19 2.35 -0.38 -0.91 115.58 119.15 1h2l h ASN 171 Ca -0.01 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 1h2l h ASN 171 Cb 1.18 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1h2l h ASN 171 CO 0.10 0.93 0.31 0.11 -1.65 0.00 0.00 177.43 177.23 1h2l h LYS 172 N 0.93 1.14 0.33 0.81 1.57 -1.30 -0.99 116.57 119.05 1h2l h LYS 172 Ca 0.19 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1h2l h LYS 172 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1h2l h LYS 172 CO 0.01 0.93 -0.19 1.96 -0.57 0.00 0.00 179.45 181.59 1h2l h GLN 173 N 1.10 -0.47 -0.67 3.15 1.08 -0.98 0.40 115.11 118.71 1h2l h GLN 173 Ca 0.26 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.63 1h2l h GLN 173 Cb 0.21 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 27.63 1h2l h GLN 173 CO -0.02 -0.31 -0.04 0.37 -0.95 0.00 0.00 178.83 177.88 1h2l h GLN 174 N -0.49 0.08 0.01 1.46 4.15 -1.05 -0.65 115.11 118.61 1h2l h GLN 174 Ca -0.04 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1h2l h GLN 174 Cb 0.40 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1h2l h GLN 174 CO 0.04 0.05 -0.00 0.78 -1.93 0.00 0.00 178.83 177.77 1h2l h GLY 175 N 0.08 -0.01 0.83 2.39 0.00 -0.73 -1.99 103.07 103.64 1h2l h GLY 175 Ca 0.35 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.75 1h2l h GLY 175 CO -0.61 -0.00 0.60 0.50 0.00 0.00 0.00 176.54 177.03 1h2l h LYS 176 N -0.29 1.03 -0.01 4.80 1.57 0.21 -2.67 116.57 121.21 1h2l h LYS 176 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1h2l h LYS 176 Cb 0.29 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1h2l h LYS 176 CO 0.00 0.68 -0.13 0.54 -0.57 0.00 0.00 179.45 179.97 1h2l n ARG 177 N -4.49 1.07 -1.48 3.15 5.12 -0.29 -4.93 116.66 114.80 1h2l n ARG 177 Ca 0.14 -0.56 -0.11 0.00 -1.93 0.00 0.00 57.85 55.39 1h2l n ARG 177 Cb 0.19 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.97 1h2l n ARG 177 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1h2l n GLY 178 N 1.26 1.00 3.70 -0.13 0.00 -1.01 -4.77 105.19 105.24 1h2l n GLY 178 Ca 0.15 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 1h2l n GLY 178 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h2l s TRP 179 N -2.44 2.04 0.00 1.61 0.51 -0.78 -4.03 118.94 115.86 1h2l s TRP 179 Ca 0.00 1.57 0.00 0.00 -2.12 0.00 0.00 56.10 55.55 1h2l s TRP 179 Cb 0.00 -3.19 0.00 0.00 -0.81 0.00 0.00 33.47 29.47 1h2l s TRP 179 CO 0.00 -2.49 0.00 0.41 -0.51 0.00 0.00 176.95 174.36 1h2l n GLY 180 N -0.45 -0.71 3.80 0.98 0.00 0.13 -4.84 105.19 104.10 1h2l n GLY 180 Ca 0.09 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.14 1h2l n GLY 180 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2l s GLN 181 N -0.28 3.08 -0.02 1.61 -2.07 -1.26 -4.31 119.66 116.41 1h2l s GLN 181 Ca 0.00 1.20 -0.30 0.00 -1.82 0.00 0.00 55.36 54.44 1h2l s GLN 181 Cb 0.00 -2.00 -0.07 0.00 -1.09 0.00 0.00 33.01 29.85 1h2l s GLN 181 CO 0.00 -1.00 1.74 -1.17 -1.32 0.00 0.00 175.29 173.54 1h2l s LEU 182 N -4.83 4.36 -0.11 2.60 0.20 -1.26 -1.71 118.68 117.92 1h2l s LEU 182 Ca 0.63 2.37 0.11 0.00 0.69 0.00 0.00 54.13 57.94 1h2l s LEU 182 Cb -0.17 -3.53 -0.24 0.00 -0.43 0.00 0.00 46.19 41.82 1h2l s LEU 182 CO 0.42 -0.96 0.40 0.35 -0.29 0.00 0.00 176.35 176.27 1h2l n THR 183 N 5.44 1.56 -3.60 3.68 -2.24 0.38 -4.98 114.28 114.53 1h2l n THR 183 Ca 0.18 -0.78 0.02 0.00 -2.27 0.00 0.00 64.05 61.19 1h2l n THR 183 Cb 0.42 -0.98 -0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1h2l n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h2l s SER 184 N -6.05 -0.04 -0.18 3.42 1.04 -1.23 -5.04 113.70 105.62 1h2l s SER 184 Ca -0.10 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1h2l s SER 184 Cb 0.07 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1h2l s SER 184 CO 0.81 -0.18 -0.10 0.20 0.98 0.00 0.00 173.24 174.95 1h2l s ASN 185 N -2.88 3.07 -0.16 7.02 -0.87 -1.26 -1.79 114.94 118.07 1h2l s ASN 185 Ca 0.14 -0.73 -0.17 0.00 -1.57 0.00 0.00 52.86 50.53 1h2l s ASN 185 Cb 0.05 -1.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.11 1h2l s ASN 185 CO -0.05 -0.14 0.42 -0.22 -2.57 0.00 0.00 177.10 174.54 1h2l s LEU 186 N 1.49 4.22 -0.19 0.60 2.96 -1.23 -0.78 118.68 125.75 1h2l s LEU 186 Ca 0.01 0.65 -0.18 0.00 -0.22 0.00 0.00 54.13 54.39 1h2l s LEU 186 Cb -0.15 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1h2l s LEU 186 CO -0.09 -0.01 0.48 -0.22 -1.32 0.00 0.00 176.35 175.20 1h2l s LEU 187 N 0.86 4.17 -0.17 -0.68 2.96 0.47 -1.84 118.68 124.44 1h2l s LEU 187 Ca 0.22 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.80 1h2l s LEU 187 Cb -0.14 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.90 1h2l s LEU 187 CO 0.08 -0.13 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.03 1h2l s LEU 188 N 1.39 2.19 -0.17 -0.68 1.02 0.04 -1.69 118.68 120.79 1h2l s LEU 188 Ca 0.23 -0.61 0.00 0.00 0.02 0.00 0.00 54.13 53.77 1h2l s LEU 188 Cb -0.15 -1.49 0.04 0.00 0.02 0.00 0.00 46.19 44.60 1h2l s LEU 188 CO 0.09 0.02 -0.10 -0.63 0.02 0.00 0.00 176.35 175.76 1h2l s ILE 189 N 1.15 1.44 0.24 -0.59 1.01 -0.17 -1.58 121.20 122.71 1h2l s ILE 189 Ca 0.01 -0.75 0.07 0.00 0.00 0.00 0.00 60.65 59.99 1h2l s ILE 189 Cb -0.14 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1h2l s ILE 189 CO -0.09 0.25 -0.11 -0.83 0.00 0.00 0.00 174.94 174.17 1h2l s GLY 190 N 1.51 1.64 0.36 6.18 0.00 -0.80 -1.06 107.32 115.15 1h2l s GLY 190 Ca 0.01 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 42.88 1h2l s GLY 190 CO -0.09 -1.81 0.67 1.06 0.00 0.00 0.00 173.10 172.93 1h2l s MET 191 N -3.68 3.68 0.33 2.90 -1.94 -1.24 -1.25 119.30 118.11 1h2l s MET 191 Ca 0.26 0.21 -0.29 0.00 -1.71 0.00 0.00 55.69 54.16 1h2l s MET 191 Cb 0.01 -2.51 -0.12 0.00 2.01 0.00 0.00 34.83 34.22 1h2l s MET 191 CO 0.10 0.06 1.42 -0.85 -0.01 0.00 0.00 175.02 175.74 1h2l n GLU 192 N -1.28 2.41 0.00 2.03 0.28 -1.21 -1.83 120.64 121.04 1h2l n GLU 192 Ca 0.00 0.85 0.00 0.00 -0.16 0.00 0.00 57.16 57.85 1h2l n GLU 192 Cb 0.54 -2.52 0.00 0.00 1.43 0.00 0.00 31.44 30.89 1h2l n GLU 192 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1h2l n GLY 193 N 1.04 2.01 3.77 -1.84 0.00 -0.44 -4.82 105.19 104.90 1h2l n GLY 193 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1h2l n GLY 193 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1h2l s ASN 194 N -2.39 6.09 -0.03 1.61 -0.87 -0.76 -4.76 114.94 113.83 1h2l s ASN 194 Ca 0.00 2.78 0.03 0.00 -1.57 0.00 0.00 52.86 54.10 1h2l s ASN 194 Cb 0.00 -2.65 0.01 0.00 -0.02 0.00 0.00 41.25 38.59 1h2l s ASN 194 CO 0.00 -1.01 -0.10 -0.69 -2.57 0.00 0.00 177.10 172.73 1h2l s VAL 195 N -1.24 0.89 -0.38 1.60 1.01 -0.27 -1.06 120.40 120.96 1h2l s VAL 195 Ca 0.59 -0.40 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1h2l s VAL 195 Cb -0.41 -0.80 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1h2l s VAL 195 CO 0.52 0.28 0.22 -0.89 0.00 0.00 0.00 175.10 175.23 1h2l s THR 196 N 0.30 4.67 0.81 3.92 2.01 0.14 -0.20 115.64 127.29 1h2l s THR 196 Ca -0.05 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 1h2l s THR 196 Cb -0.10 -3.60 0.09 0.00 0.01 0.00 0.00 72.50 68.89 1h2l s THR 196 CO 0.01 -0.24 1.17 -2.84 -0.69 0.00 0.00 174.62 172.04 1h2l s PRO 197 N 1.57 1.66 0.17 4.92 0.02 -1.26 -1.73 135.00 140.36 1h2l s PRO 197 Ca 0.02 1.63 -0.33 0.00 0.02 0.00 0.00 61.00 62.34 1h2l s PRO 197 Cb -0.19 -1.79 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 1h2l s PRO 197 CO 0.07 -2.17 1.32 0.00 -0.33 0.00 0.00 177.00 175.90 1h2l n ALA 198 N -3.44 0.02 -3.82 -1.55 0.00 -1.25 -4.72 120.51 105.75 1h2l n ALA 198 Ca 0.12 0.46 -0.06 0.00 0.00 0.00 0.00 53.44 53.96 1h2l n ALA 198 Cb 0.51 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 1h2l n ALA 198 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1h2l s HIS 199 N 0.12 -0.14 0.13 0.00 -3.43 -0.74 -0.96 115.29 110.28 1h2l s HIS 199 Ca 0.75 -0.28 0.09 0.00 -0.80 0.00 0.00 55.06 54.81 1h2l s HIS 199 Cb -0.79 0.69 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 1h2l s HIS 199 CO 0.48 -1.11 -0.21 1.52 -2.00 0.00 0.00 174.74 173.42 1h2l s TYR 200 N -3.56 1.88 0.15 0.38 -0.85 -0.74 0.21 117.35 114.82 1h2l s TYR 200 Ca 0.12 -0.43 0.10 0.00 -0.52 0.00 0.00 57.07 56.34 1h2l s TYR 200 Cb -0.04 -0.99 -0.04 0.00 0.38 0.00 0.00 41.96 41.27 1h2l s TYR 200 CO 0.06 0.29 -0.20 -0.51 -1.52 0.00 0.00 175.55 173.66 1h2l s ASP 201 N -2.26 3.69 -0.31 -0.18 1.01 -1.26 -4.83 116.67 112.53 1h2l s ASP 201 Ca 0.12 -0.69 0.03 0.00 0.71 0.00 0.00 52.55 52.72 1h2l s ASP 201 Cb -0.08 -0.42 0.46 0.00 1.01 0.00 0.00 42.92 43.89 1h2l s ASP 201 CO 0.06 0.15 1.64 -0.62 0.21 0.00 0.00 175.17 176.61 1h2l n GLU 202 N 0.56 1.86 -4.18 8.23 1.02 -1.26 -1.70 120.64 125.18 1h2l n GLU 202 Ca -0.15 -2.08 -0.12 0.00 -0.02 0.00 0.00 57.16 54.80 1h2l n GLU 202 Cb 0.54 -1.82 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 1h2l n GLU 202 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1h2l s GLN 203 N -2.28 0.87 0.36 3.49 -0.21 -1.26 -4.58 119.66 116.05 1h2l s GLN 203 Ca 0.39 -1.32 -0.25 0.00 0.02 0.00 0.00 55.36 54.21 1h2l s GLN 203 Cb 0.33 -0.33 -0.10 0.00 1.00 0.00 0.00 33.01 33.91 1h2l s GLN 203 CO 0.08 0.01 0.98 -0.65 -2.12 0.00 0.00 175.29 173.59 1h2l s GLN 204 N -3.62 4.41 -0.04 2.91 -1.52 -0.08 -3.87 119.66 117.85 1h2l s GLN 204 Ca 0.11 1.37 -0.01 0.00 -1.95 0.00 0.00 55.36 54.88 1h2l s GLN 204 Cb 0.03 -2.65 0.03 0.00 -0.22 0.00 0.00 33.01 30.20 1h2l s GLN 204 CO -0.03 0.11 0.05 1.21 -0.25 0.00 0.00 175.29 176.37 1h2l s ASN 205 N -1.65 0.92 -0.32 5.90 3.84 -0.95 -0.97 114.94 121.70 1h2l s ASN 205 Ca 0.54 0.05 -0.12 0.00 0.21 0.00 0.00 52.86 53.54 1h2l s ASN 205 Cb -0.19 -0.16 -0.03 0.00 -0.55 0.00 0.00 41.25 40.33 1h2l s ASN 205 CO 0.24 -0.21 0.22 -0.36 -2.79 0.00 0.00 177.10 174.20 1h2l s PHE 206 N 1.86 3.22 -0.43 0.43 0.08 -0.77 -0.34 117.98 122.03 1h2l s PHE 206 Ca 0.01 -0.08 -0.11 0.00 0.12 0.00 0.00 56.93 56.88 1h2l s PHE 206 Cb -0.12 -2.44 0.08 0.00 -0.57 0.00 0.00 43.02 39.97 1h2l s PHE 206 CO -0.03 -0.28 0.30 0.12 -0.10 0.00 0.00 175.22 175.23 1h2l s PHE 207 N 1.74 3.32 -0.42 0.36 2.19 0.21 -1.14 117.98 124.24 1h2l s PHE 207 Ca 0.06 -1.39 -0.12 0.00 0.33 0.00 0.00 56.93 55.81 1h2l s PHE 207 Cb -0.17 -3.03 0.05 0.00 -1.31 0.00 0.00 43.02 38.56 1h2l s PHE 207 CO 0.11 -0.84 0.28 0.00 1.83 0.00 0.00 175.22 176.60 1h2l s ALA 208 N 1.48 3.39 0.24 11.12 0.00 -0.54 -0.68 121.76 136.77 1h2l s ALA 208 Ca 0.03 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.78 1h2l s ALA 208 Cb -0.23 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1h2l s ALA 208 CO 0.03 -1.55 0.97 -1.14 0.00 0.00 0.00 175.76 174.07 1h2l s GLN 209 N 1.57 4.81 0.03 0.00 2.00 0.34 -1.69 119.66 126.71 1h2l s GLN 209 Ca 0.03 1.54 0.00 0.00 -2.00 0.00 0.00 55.36 54.94 1h2l s GLN 209 Cb -0.21 -3.27 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1h2l s GLN 209 CO 0.06 0.44 0.00 -0.89 -0.50 0.00 0.00 175.29 174.40 1h2l n ILE 210 N 1.53 0.31 -4.22 -2.34 5.41 -0.27 -1.64 119.36 118.14 1h2l n ILE 210 Ca -0.02 0.10 -0.18 0.00 1.00 0.00 0.00 62.75 63.66 1h2l n ILE 210 Cb 0.47 -1.52 -0.15 0.00 -0.71 0.00 0.00 39.64 37.73 1h2l n ILE 210 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1h2l s LYS 211 N -2.00 0.66 1.24 0.38 2.20 -0.79 -4.40 119.74 117.02 1h2l s LYS 211 Ca 0.00 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1h2l s LYS 211 Cb 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 1h2l s LYS 211 CO 0.00 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1h2l n GLY 212 N 3.33 -1.77 3.17 5.54 0.00 -1.26 -0.81 105.19 113.39 1h2l n GLY 212 Ca -0.18 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 1h2l n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h2l s TYR 213 N -0.08 1.60 -0.05 1.61 1.51 -1.26 -3.85 117.35 116.83 1h2l s TYR 213 Ca 0.00 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.79 1h2l s TYR 213 Cb 0.00 -1.03 0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1h2l s TYR 213 CO 0.00 -0.03 -0.13 0.15 -1.11 0.00 0.00 175.55 174.43 1h2l s LYS 214 N -0.42 1.59 -0.14 -0.62 1.02 -0.67 -2.02 119.74 118.49 1h2l s LYS 214 Ca 0.07 -0.44 -0.18 0.00 0.02 0.00 0.00 55.97 55.43 1h2l s LYS 214 Cb -0.07 -1.35 -0.04 0.00 -0.52 0.00 0.00 37.83 35.85 1h2l s LYS 214 CO -0.01 0.10 0.48 0.50 -0.92 0.00 0.00 175.35 175.50 1h2l s ARG 215 N 0.41 4.31 -0.16 1.68 3.52 0.11 -0.84 118.95 127.98 1h2l s ARG 215 Ca -0.10 0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.95 1h2l s ARG 215 Cb -0.13 -3.46 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1h2l s ARG 215 CO 0.03 0.10 -0.20 0.00 -0.81 0.00 0.00 175.30 174.42 1h2l s ILE 217 N 1.09 2.78 0.08 0.00 1.01 0.38 -1.93 121.20 124.62 1h2l s ILE 217 Ca -0.01 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1h2l s ILE 217 Cb -0.14 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1h2l s ILE 217 CO -0.07 0.44 -0.10 -0.76 0.00 0.00 0.00 174.94 174.44 1h2l s LEU 218 N 1.38 3.01 -0.03 2.97 1.02 0.62 -0.40 118.68 127.26 1h2l s LEU 218 Ca 0.05 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 53.88 1h2l s LEU 218 Cb -0.14 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.27 1h2l s LEU 218 CO -0.07 0.21 -0.12 -0.36 0.02 0.00 0.00 176.35 176.02 1h2l s PHE 219 N -1.14 1.20 0.78 0.29 0.40 -0.43 -0.71 117.98 118.36 1h2l s PHE 219 Ca 0.20 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1h2l s PHE 219 Cb -0.11 -0.83 0.06 0.00 0.51 0.00 0.00 43.02 42.66 1h2l s PHE 219 CO 0.12 -0.11 1.18 -2.14 0.70 0.00 0.00 175.22 174.97 1h2l s PRO 220 N 0.08 1.90 0.60 0.24 0.02 -1.26 -0.97 135.00 135.61 1h2l s PRO 220 Ca -0.02 1.65 0.30 0.00 0.02 0.00 0.00 61.00 62.94 1h2l s PRO 220 Cb -0.09 -1.82 1.67 0.00 0.02 0.00 0.00 34.50 34.29 1h2l s PRO 220 CO 0.01 -1.99 2.07 -1.35 -0.33 0.00 0.00 177.00 175.41 1h2l h PRO 221 N -0.73 0.00 0.00 5.54 0.11 -1.95 -0.91 132.00 134.06 1h2l h PRO 221 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1h2l h PRO 221 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1h2l h PRO 221 CO 0.48 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.87 1h2l n ASP 222 N -3.68 0.00 -1.30 -2.05 5.75 -1.26 -2.04 116.55 111.97 1h2l n ASP 222 Ca 0.02 -1.04 0.09 0.00 -0.01 0.00 0.00 54.79 53.85 1h2l n ASP 222 Cb 0.36 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 40.75 1h2l n ASP 222 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1h2l n GLN 223 N -0.91 2.94 -0.31 0.11 6.02 -0.35 -4.52 117.38 120.37 1h2l n GLN 223 Ca 0.17 -2.39 0.09 0.00 -0.01 0.00 0.00 57.00 54.86 1h2l n GLN 223 Cb 0.08 -1.66 0.21 0.00 1.02 0.00 0.00 30.24 29.88 1h2l n GLN 223 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1h2l h PHE 224 N 3.64 -0.15 0.00 1.08 3.04 -1.60 0.17 116.94 123.13 1h2l h PHE 224 Ca 0.00 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1h2l h PHE 224 Cb 1.08 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1h2l h PHE 224 CO 0.56 -0.36 0.00 0.93 -2.02 0.00 0.00 178.31 177.42 1h2l h GLU 225 N 0.04 0.00 -0.00 1.11 5.08 -1.88 -2.33 114.58 116.60 1h2l h GLU 225 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1h2l h GLU 225 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1h2l h GLU 225 CO -0.84 0.00 -0.76 0.00 -1.00 0.00 0.00 179.01 176.41 1h2l n LEU 227 N -1.21 0.24 -3.63 0.00 4.77 -0.89 -3.55 117.00 112.74 1h2l n LEU 227 Ca 0.06 -0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 55.36 1h2l n LEU 227 Cb 0.35 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.47 1h2l n LEU 227 CO 0.38 0.06 -0.05 -1.22 -1.33 0.00 0.00 177.39 175.23 1h2l n TYR 228 N -1.23 -2.08 -1.87 -1.77 4.01 -1.16 -3.54 117.16 109.52 1h2l n TYR 228 Ca 0.01 0.62 -0.37 0.00 -0.16 0.00 0.00 57.90 58.01 1h2l n TYR 228 Cb 0.10 -3.35 0.05 0.00 -0.31 0.00 0.00 39.34 35.84 1h2l n TYR 228 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h2l s PRO 229 N -5.34 2.78 1.01 -0.72 0.04 -1.26 -0.94 135.00 130.56 1h2l s PRO 229 Ca 0.29 1.97 -0.12 0.00 0.04 0.00 0.00 61.00 63.19 1h2l s PRO 229 Cb -0.11 -1.91 0.17 0.00 0.04 0.00 0.00 34.50 32.69 1h2l s PRO 229 CO 0.86 -1.40 0.97 0.66 0.04 0.00 0.00 177.00 178.13 1h2l n TYR 230 N -1.70 -0.12 -1.59 0.56 4.02 -0.86 -4.77 117.16 112.70 1h2l n TYR 230 Ca 0.15 0.21 -0.39 0.00 -0.01 0.00 0.00 57.90 57.86 1h2l n TYR 230 Cb 0.49 -1.87 0.04 0.00 -0.02 0.00 0.00 39.34 37.98 1h2l n TYR 230 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1h2l n PRO 231 N -4.06 0.95 -0.17 -0.72 -0.02 -1.26 -4.58 135.00 125.13 1h2l n PRO 231 Ca 0.08 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1h2l n PRO 231 Cb 0.53 -2.06 0.40 0.00 -0.02 0.00 0.00 33.50 32.35 1h2l n PRO 231 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1h2l h VAL 232 N 0.71 0.94 -0.00 -1.45 2.07 -1.96 -2.25 116.25 114.31 1h2l h VAL 232 Ca -0.47 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1h2l h VAL 232 Cb 1.36 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1h2l h VAL 232 CO 0.52 0.12 -0.24 1.41 0.02 0.00 0.00 177.57 179.39 1h2l n HIS 233 N -4.49 0.00 -2.39 1.57 8.25 -1.26 -4.60 115.22 112.29 1h2l n HIS 233 Ca 0.12 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.21 1h2l n HIS 233 Cb 0.33 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.04 1h2l n HIS 233 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1h2l s HIS 234 N -2.99 3.04 0.54 4.41 5.04 -0.85 -4.87 115.29 119.62 1h2l s HIS 234 Ca 0.13 1.58 0.30 0.00 -1.54 0.00 0.00 55.06 55.53 1h2l s HIS 234 Cb 0.18 -3.26 1.46 0.00 0.04 0.00 0.00 32.58 31.01 1h2l s HIS 234 CO 0.61 -1.11 1.92 -1.35 -2.34 0.00 0.00 174.74 172.47 1h2l h PRO 235 N 2.20 0.00 -0.87 2.88 0.11 -1.82 -0.56 132.00 133.94 1h2l h PRO 235 Ca -0.49 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.37 1h2l h PRO 235 Cb 1.23 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 1h2l h PRO 235 CO 0.61 0.00 0.32 0.00 -0.21 0.00 0.00 178.00 178.72 1h2l n ASP 237 N -0.31 0.04 0.00 0.00 2.03 -0.22 -0.97 116.55 117.12 1h2l n ASP 237 Ca 0.38 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.84 1h2l n ASP 237 Cb 1.28 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1h2l n ASP 237 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h2l n ARG 238 N 1.44 0.00 -3.76 -0.67 1.74 -1.26 -4.99 116.66 109.16 1h2l n ARG 238 Ca 0.18 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.95 1h2l n ARG 238 Cb 0.18 -1.74 -0.04 0.00 -1.02 0.00 0.00 32.46 29.84 1h2l n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2l s GLN 239 N -0.01 3.54 0.25 5.56 -1.52 -0.14 -1.80 119.66 125.55 1h2l s GLN 239 Ca 0.00 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 1h2l s GLN 239 Cb 0.00 -2.91 -0.09 0.00 -0.22 0.00 0.00 33.01 29.79 1h2l s GLN 239 CO 0.00 0.51 1.11 0.45 -0.25 0.00 0.00 175.29 177.11 1h2l s SER 240 N -2.54 7.26 0.01 5.90 0.15 -0.13 -2.03 113.70 122.30 1h2l s SER 240 Ca 0.39 2.23 0.25 0.00 0.70 0.00 0.00 55.95 59.52 1h2l s SER 240 Cb -0.12 -2.62 1.06 0.00 -1.71 0.00 0.00 66.02 62.63 1h2l s SER 240 CO 0.26 -0.17 1.80 0.00 1.20 0.00 0.00 173.24 176.33 1h2l n GLN 241 N 1.52 0.01 -2.72 5.44 6.02 -0.12 -4.84 117.38 122.69 1h2l n GLN 241 Ca 0.00 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1h2l n GLN 241 Cb 0.45 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 1h2l n GLN 241 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h2l s VAL 242 N -3.01 4.87 -0.63 5.09 1.01 -1.26 -4.97 120.40 121.51 1h2l s VAL 242 Ca 0.12 2.05 -0.26 0.00 0.00 0.00 0.00 61.98 63.88 1h2l s VAL 242 Cb 0.16 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1h2l s VAL 242 CO 0.46 0.16 1.14 -0.62 0.00 0.00 0.00 175.10 176.24 1h2l s ASP 243 N 1.01 6.31 0.61 3.32 -1.08 -1.26 -4.87 116.67 120.71 1h2l s ASP 243 Ca 0.52 -0.26 0.32 0.00 -0.52 0.00 0.00 52.55 52.60 1h2l s ASP 243 Cb -0.21 -2.52 1.87 0.00 -1.46 0.00 0.00 42.92 40.60 1h2l s ASP 243 CO 0.28 -1.53 2.21 -0.26 0.52 0.00 0.00 175.17 176.38 1h2l h PHE 244 N 9.64 0.00 0.00 -5.34 -1.00 -1.97 -0.21 116.94 118.06 1h2l h PHE 244 Ca -0.26 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.44 1h2l h PHE 244 Cb 1.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1h2l h PHE 244 CO 1.03 0.00 -0.49 -0.44 -1.61 0.00 0.00 178.31 176.80 1h2l h ASP 245 N 0.00 0.00 -1.29 2.17 3.32 -1.92 -3.41 116.42 115.29 1h2l h ASP 245 Ca 0.03 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.71 1h2l h ASP 245 Cb 0.21 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.50 1h2l h ASP 245 CO -0.00 0.31 -0.75 -3.20 -1.72 0.00 0.00 179.24 173.88 1h2l n ASN 246 N -3.10 -1.75 -4.70 6.45 5.15 -0.17 -5.10 115.26 112.04 1h2l n ASN 246 Ca 0.01 -2.84 -0.42 0.00 -0.60 0.00 0.00 54.58 50.73 1h2l n ASN 246 Cb 0.67 0.66 -0.03 0.00 -0.53 0.00 0.00 39.78 40.55 1h2l n ASN 246 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1h2l s PRO 247 N 0.14 4.31 -0.81 1.20 0.02 -0.70 -4.55 135.00 134.61 1h2l s PRO 247 Ca 0.32 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.16 1h2l s PRO 247 Cb 0.11 -3.40 0.12 0.00 0.02 0.00 0.00 34.50 31.36 1h2l s PRO 247 CO -0.15 -0.48 0.99 0.34 -0.33 0.00 0.00 177.00 177.36 1h2l s ASP 248 N 1.45 6.47 0.53 2.53 -1.08 -1.26 -4.87 116.67 120.44 1h2l s ASP 248 Ca 0.64 -1.78 0.34 0.00 -0.52 0.00 0.00 52.55 51.24 1h2l s ASP 248 Cb -0.34 -2.37 1.56 0.00 -1.46 0.00 0.00 42.92 40.31 1h2l s ASP 248 CO 0.29 -1.11 2.02 1.88 0.52 0.00 0.00 175.17 178.77 1h2l h TYR 249 N 8.96 0.00 -0.23 -5.34 0.05 -1.93 0.09 116.97 118.57 1h2l h TYR 249 Ca -0.02 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.61 1h2l h TYR 249 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 1h2l h TYR 249 CO 1.06 0.00 -0.43 0.93 -1.05 0.00 0.00 178.16 178.67 1h2l h GLU 250 N 0.00 0.70 0.02 4.88 5.08 -1.96 -2.37 114.58 120.92 1h2l h GLU 250 Ca 0.00 -0.44 -0.24 0.00 -1.00 0.00 0.00 59.36 57.68 1h2l h GLU 250 Cb 0.35 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1h2l h GLU 250 CO 0.00 1.06 -1.24 0.00 -1.00 0.00 0.00 179.01 177.84 1h2l h ARG 251 N 0.41 0.03 -2.16 2.33 3.08 -1.92 -3.40 114.38 112.76 1h2l h ARG 251 Ca 0.01 -0.06 -0.55 0.00 0.07 0.00 0.00 59.98 59.45 1h2l h ARG 251 Cb 1.03 0.02 -0.41 0.00 0.08 0.00 0.00 29.97 30.69 1h2l h ARG 251 CO 0.10 0.89 -0.86 1.19 -1.07 0.00 0.00 179.97 180.21 1h2l n PHE 252 N -3.29 2.35 -0.32 3.04 3.72 -0.01 -4.95 117.46 118.01 1h2l n PHE 252 Ca -0.06 -3.92 0.05 0.00 -0.05 0.00 0.00 57.45 53.47 1h2l n PHE 252 Cb 0.98 -0.46 0.25 0.00 -0.94 0.00 0.00 39.48 39.31 1h2l n PHE 252 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1h2l h PRO 253 N 3.20 0.97 0.00 -1.08 0.13 -1.65 -0.30 132.00 133.28 1h2l h PRO 253 Ca 0.12 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1h2l h PRO 253 Cb 0.71 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1h2l h PRO 253 CO 0.69 0.64 0.00 0.09 -0.23 0.00 0.00 178.00 179.19 1h2l n ASN 254 N -4.53 0.00 0.21 1.44 4.13 -1.26 -1.84 115.26 113.42 1h2l n ASN 254 Ca 0.16 -0.10 0.15 0.00 1.68 0.00 0.00 54.58 56.47 1h2l n ASN 254 Cb 0.26 -0.23 0.73 0.00 -1.54 0.00 0.00 39.78 39.00 1h2l n ASN 254 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 1h2l h PHE 255 N 0.00 0.00 0.00 3.10 3.57 -1.09 -0.59 116.94 121.93 1h2l h PHE 255 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h2l h PHE 255 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1h2l h PHE 255 CO 0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1h2l n GLN 256 N -2.58 0.13 -0.09 1.11 6.02 -0.77 -2.87 117.38 118.33 1h2l n GLN 256 Ca -0.01 0.30 0.08 0.00 -0.01 0.00 0.00 57.00 57.36 1h2l n GLN 256 Cb 0.14 -1.72 0.12 0.00 1.02 0.00 0.00 30.24 29.80 1h2l n GLN 256 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1h2l n ASN 257 N -1.96 2.69 -4.77 1.08 4.13 -0.23 -5.02 115.26 111.18 1h2l n ASN 257 Ca 0.04 -1.79 -0.39 0.00 1.68 0.00 0.00 54.58 54.11 1h2l n ASN 257 Cb 0.26 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 1h2l n ASN 257 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1h2l s VAL 258 N -1.22 3.19 -0.05 2.41 0.11 -1.14 -5.03 120.40 118.67 1h2l s VAL 258 Ca 0.24 1.12 -0.02 0.00 -2.93 0.00 0.00 61.98 60.39 1h2l s VAL 258 Cb 0.15 -3.68 0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1h2l s VAL 258 CO 0.21 0.20 0.04 -0.69 -3.33 0.00 0.00 175.10 171.53 1h2l s VAL 259 N -1.27 0.06 0.42 2.04 1.01 -1.26 -4.39 120.40 117.01 1h2l s VAL 259 Ca 0.50 0.31 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1h2l s VAL 259 Cb -0.33 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.79 1h2l s VAL 259 CO 0.43 0.20 0.58 -0.83 0.00 0.00 0.00 175.10 175.47 1h2l s GLY 260 N 1.99 1.84 -0.14 4.51 0.00 -0.88 -4.78 107.32 109.87 1h2l s GLY 260 Ca 0.03 -1.55 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1h2l s GLY 260 CO -0.04 -1.38 -0.19 -0.19 0.00 0.00 0.00 173.10 171.30 1h2l s TYR 261 N -2.38 2.71 0.16 1.90 2.02 0.11 -1.08 117.35 120.78 1h2l s TYR 261 Ca 0.53 -1.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.09 1h2l s TYR 261 Cb -0.10 -1.83 -0.05 0.00 -0.40 0.00 0.00 41.96 39.58 1h2l s TYR 261 CO 0.34 -0.53 -0.06 -1.83 -1.57 0.00 0.00 175.55 171.90 1h2l s GLU 262 N 0.75 1.07 0.14 -0.62 -1.05 0.85 -0.28 118.70 119.56 1h2l s GLU 262 Ca -0.08 -1.48 -0.24 0.00 -0.15 0.00 0.00 54.97 53.02 1h2l s GLU 262 Cb -0.16 -0.45 0.07 0.00 -0.44 0.00 0.00 34.13 33.15 1h2l s GLU 262 CO 0.00 -0.02 0.72 -0.08 0.95 0.00 0.00 175.26 176.83 1h2l s THR 263 N -3.48 0.00 -0.19 1.83 -1.32 -0.81 -1.09 115.64 110.58 1h2l s THR 263 Ca 0.19 -0.21 -0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1h2l s THR 263 Cb 0.04 -1.24 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 1h2l s THR 263 CO 0.01 0.00 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.58 1h2l s VAL 264 N -3.59 2.46 -0.05 5.08 1.01 -1.26 -0.74 120.40 123.32 1h2l s VAL 264 Ca 0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1h2l s VAL 264 Cb -0.02 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1h2l s VAL 264 CO -0.08 0.51 0.17 0.68 0.00 0.00 0.00 175.10 176.38 1h2l s VAL 265 N 1.32 5.46 0.23 2.92 -7.23 -0.02 -4.93 120.40 118.14 1h2l s VAL 265 Ca 0.05 -0.03 0.01 0.00 -1.81 0.00 0.00 61.98 60.19 1h2l s VAL 265 Cb -0.13 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.31 1h2l s VAL 265 CO -0.09 0.43 0.05 0.61 -0.31 0.00 0.00 175.10 175.78 1h2l n GLY 266 N 1.30 3.75 3.64 2.32 0.00 -1.26 -1.66 105.19 113.27 1h2l n GLY 266 Ca -0.14 -2.13 -0.54 0.00 0.00 0.00 0.00 46.02 43.22 1h2l n GLY 266 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1h2l n PRO 267 N -0.54 1.18 0.00 1.61 -0.02 -1.25 -1.08 135.00 134.90 1h2l n PRO 267 Ca -0.06 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1h2l n PRO 267 Cb 0.32 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1h2l n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h2l n GLY 268 N 3.18 3.48 3.82 -1.23 0.00 -0.65 -4.96 105.19 108.82 1h2l n GLY 268 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1h2l n GLY 268 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h2l s ASP 269 N -0.98 6.97 -0.10 1.61 1.01 -0.24 -4.55 116.67 120.39 1h2l s ASP 269 Ca 0.00 1.58 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1h2l s ASP 269 Cb 0.00 -2.49 0.02 0.00 1.01 0.00 0.00 42.92 41.46 1h2l s ASP 269 CO 0.00 -0.23 -0.08 -0.69 0.21 0.00 0.00 175.17 174.37 1h2l s VAL 270 N -1.97 1.01 -0.21 -1.27 1.01 -0.52 -0.51 120.40 117.94 1h2l s VAL 270 Ca 0.56 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 1h2l s VAL 270 Cb -0.12 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1h2l s VAL 270 CO 0.17 0.35 0.05 -0.22 0.00 0.00 0.00 175.10 175.45 1h2l s LEU 271 N 1.41 3.58 -0.37 3.92 2.96 0.15 -0.21 118.68 130.12 1h2l s LEU 271 Ca -0.01 -0.07 -0.26 0.00 -0.22 0.00 0.00 54.13 53.57 1h2l s LEU 271 Cb -0.13 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1h2l s LEU 271 CO -0.05 0.08 0.93 -0.47 -1.32 0.00 0.00 176.35 175.53 1h2l s TYR 272 N 0.90 3.07 -0.49 5.38 5.04 -0.32 -0.62 117.35 130.31 1h2l s TYR 272 Ca 0.03 0.77 -0.12 0.00 -2.44 0.00 0.00 57.07 55.32 1h2l s TYR 272 Cb -0.14 -3.67 0.12 0.00 0.35 0.00 0.00 41.96 38.62 1h2l s TYR 272 CO 0.02 -0.84 0.40 0.42 -1.34 0.00 0.00 175.55 174.21 1h2l s ILE 273 N 3.51 4.61 0.48 3.14 1.01 0.54 -3.62 121.20 130.87 1h2l s ILE 273 Ca 0.38 -1.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.18 1h2l s ILE 273 Cb -0.12 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.30 1h2l s ILE 273 CO 0.19 -0.78 1.22 -2.84 0.00 0.00 0.00 174.94 172.73 1h2l s PRO 274 N 1.46 3.61 0.23 2.79 0.02 -1.26 -2.25 135.00 139.61 1h2l s PRO 274 Ca 0.04 1.92 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 1h2l s PRO 274 Cb -0.27 -2.39 -0.14 0.00 0.02 0.00 0.00 34.50 31.71 1h2l s PRO 274 CO 0.01 -0.71 1.23 -0.12 -0.33 0.00 0.00 177.00 177.08 1h2l n MET 275 N -0.58 1.57 -0.30 5.54 1.56 -1.25 -1.43 117.12 122.24 1h2l n MET 275 Ca 0.08 0.56 0.00 0.00 -0.27 0.00 0.00 57.70 58.07 1h2l n MET 275 Cb 0.47 -2.10 0.00 0.00 2.15 0.00 0.00 33.22 33.74 1h2l n MET 275 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1h2l n TYR 276 N 1.37 0.00 -2.68 1.12 4.01 -0.69 -5.00 117.16 115.30 1h2l n TYR 276 Ca 0.12 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.44 1h2l n TYR 276 Cb 0.29 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 1h2l n TYR 276 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1h2l s TRP 277 N -3.14 3.62 0.45 -0.72 0.52 -0.51 -4.25 118.94 114.91 1h2l s TRP 277 Ca 0.00 1.64 -0.25 0.00 0.02 0.00 0.00 56.10 57.52 1h2l s TRP 277 Cb 0.00 -3.16 -0.08 0.00 -1.15 0.00 0.00 33.47 29.08 1h2l s TRP 277 CO 0.00 -0.17 1.32 -1.58 0.02 0.00 0.00 176.95 176.54 1h2l s TRP 278 N 1.12 2.66 -0.10 -1.98 0.52 -0.14 -4.40 118.94 116.62 1h2l s TRP 278 Ca 0.52 1.39 -0.10 0.00 0.02 0.00 0.00 56.10 57.93 1h2l s TRP 278 Cb -0.22 -3.70 0.03 0.00 -1.15 0.00 0.00 33.47 28.43 1h2l s TRP 278 CO 0.27 -2.32 0.29 -3.38 0.02 0.00 0.00 176.95 171.83 1h2l s HIS 279 N -1.29 -0.31 -0.13 -1.98 -3.43 0.13 -1.32 115.29 106.96 1h2l s HIS 279 Ca 0.61 0.75 0.03 0.00 -0.80 0.00 0.00 55.06 55.64 1h2l s HIS 279 Cb -0.38 0.11 0.01 0.00 -1.43 0.00 0.00 32.58 30.88 1h2l s HIS 279 CO 0.48 -0.16 -0.22 -1.58 -2.00 0.00 0.00 174.74 171.26 1h2l s HIS 280 N 0.08 2.65 -0.07 0.38 5.04 0.47 -1.79 115.29 122.04 1h2l s HIS 280 Ca -0.01 -1.31 0.02 0.00 -1.54 0.00 0.00 55.06 52.22 1h2l s HIS 280 Cb -0.02 -1.80 0.02 0.00 0.04 0.00 0.00 32.58 30.82 1h2l s HIS 280 CO 0.01 -0.59 -0.11 0.42 -2.34 0.00 0.00 174.74 172.13 1h2l s ILE 281 N 0.75 1.08 -0.03 0.89 1.01 -0.71 -0.47 121.20 123.73 1h2l s ILE 281 Ca -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1h2l s ILE 281 Cb -0.16 -1.02 0.01 0.00 0.01 0.00 0.00 42.46 41.30 1h2l s ILE 281 CO -0.01 0.35 -0.08 -1.83 0.00 0.00 0.00 174.94 173.38 1h2l s GLU 282 N 0.87 0.88 -0.07 2.79 -1.05 0.06 -0.68 118.70 121.50 1h2l s GLU 282 Ca -0.11 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.17 1h2l s GLU 282 Cb -0.15 -0.83 -0.02 0.00 -0.44 0.00 0.00 34.13 32.69 1h2l s GLU 282 CO 0.01 0.07 1.05 -1.12 0.95 0.00 0.00 175.26 176.22 1h2l s SER 283 N 0.33 7.22 0.34 0.83 0.01 -0.22 0.05 113.70 122.25 1h2l s SER 283 Ca -0.05 1.64 -0.28 0.00 1.31 0.00 0.00 55.95 58.57 1h2l s SER 283 Cb -0.09 -2.56 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 1h2l s SER 283 CO 0.00 -0.44 1.19 0.18 0.41 0.00 0.00 173.24 174.59 1h2l n LEU 284 N 4.79 3.05 -4.76 2.44 4.77 -0.86 -1.33 117.00 125.09 1h2l n LEU 284 Ca 0.09 1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 56.84 1h2l n LEU 284 Cb 0.48 -1.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1h2l n LEU 284 CO 0.53 -0.80 1.10 0.18 -1.33 0.00 0.00 177.39 177.06 1h2l n LEU 285 N 0.84 4.62 -2.28 2.23 4.77 -0.77 -2.14 117.00 124.27 1h2l n LEU 285 Ca 0.06 1.22 -0.12 0.00 -0.03 0.00 0.00 56.01 57.14 1h2l n LEU 285 Cb 0.35 -1.60 -0.01 0.00 -2.33 0.00 0.00 43.42 39.83 1h2l n LEU 285 CO 0.61 0.04 -0.15 0.59 -1.33 0.00 0.00 177.39 177.15 1h2l n ASN 286 N 0.46 -3.76 -0.84 -1.43 3.02 -1.26 -4.74 115.26 106.71 1h2l n ASN 286 Ca 0.02 0.22 0.10 0.00 -0.03 0.00 0.00 54.58 54.88 1h2l n ASN 286 Cb 0.39 -3.24 0.12 0.00 -0.61 0.00 0.00 39.78 36.43 1h2l n ASN 286 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2l n GLY 287 N -0.71 0.95 4.23 7.41 0.00 -0.91 -5.10 105.19 111.06 1h2l n GLY 287 Ca -0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1h2l n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2l n GLY 288 N 1.12 -2.18 3.77 -0.02 0.00 -1.26 -4.75 105.19 101.87 1h2l n GLY 288 Ca 0.13 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 1h2l n GLY 288 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h2l s ILE 289 N -0.39 3.24 0.13 -0.61 -4.36 -1.26 -3.36 121.20 114.60 1h2l s ILE 289 Ca 0.00 0.69 0.10 0.00 -0.26 0.00 0.00 60.65 61.18 1h2l s ILE 289 Cb 0.00 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.44 1h2l s ILE 289 CO 0.00 -0.25 -0.22 0.42 0.24 0.00 0.00 174.94 175.13 1h2l s THR 290 N -2.02 2.59 -0.03 8.37 -4.23 -0.38 -4.16 115.64 115.78 1h2l s THR 290 Ca 0.70 -1.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1h2l s THR 290 Cb -0.22 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.45 1h2l s THR 290 CO 0.32 0.06 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.80 1h2l s ILE 291 N -1.20 0.43 0.02 2.99 1.01 0.01 -1.91 121.20 122.54 1h2l s ILE 291 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1h2l s ILE 291 Cb -0.10 -0.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 1h2l s ILE 291 CO 0.09 0.18 -0.03 -0.89 0.00 0.00 0.00 174.94 174.29 1h2l s THR 292 N 0.65 0.11 -0.11 2.92 2.01 -0.61 -1.12 115.64 119.49 1h2l s THR 292 Ca -0.08 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1h2l s THR 292 Cb -0.11 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1h2l s THR 292 CO -0.00 -0.41 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.69 1h2l s VAL 293 N -1.21 1.40 0.47 3.82 1.01 -0.68 -0.78 120.40 124.42 1h2l s VAL 293 Ca -0.13 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1h2l s VAL 293 Cb -0.08 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.02 1h2l s VAL 293 CO -0.01 0.42 0.65 0.54 0.00 0.00 0.00 175.10 176.71 1h2l s ASN 294 N 1.14 5.48 -0.22 3.32 2.20 -0.77 -1.46 114.94 124.62 1h2l s ASN 294 Ca -0.04 -0.39 -0.03 0.00 -0.94 0.00 0.00 52.86 51.46 1h2l s ASN 294 Cb -0.14 -0.57 0.07 0.00 -2.00 0.00 0.00 41.25 38.61 1h2l s ASN 294 CO -0.03 -0.94 0.08 -0.36 -2.94 0.00 0.00 177.10 172.91 1h2l s PHE 295 N -2.49 0.70 -0.23 1.54 0.40 -0.29 -3.56 117.98 114.05 1h2l s PHE 295 Ca 0.57 -0.81 -0.10 0.00 -0.60 0.00 0.00 56.93 55.99 1h2l s PHE 295 Cb -0.09 -0.98 -0.05 0.00 0.51 0.00 0.00 43.02 42.41 1h2l s PHE 295 CO 0.35 -0.66 0.14 -1.58 0.70 0.00 0.00 175.22 174.17 1h2l s TRP 296 N 1.97 3.30 -0.02 0.36 0.51 -0.74 -1.85 118.94 122.46 1h2l s TRP 296 Ca 0.03 0.16 0.07 0.00 -2.12 0.00 0.00 56.10 54.25 1h2l s TRP 296 Cb -0.17 -2.23 -0.02 0.00 -0.81 0.00 0.00 33.47 30.25 1h2l s TRP 296 CO -0.17 0.07 -0.23 0.71 -0.51 0.00 0.00 176.95 176.82 1h2l s TYR 297 N 0.93 2.07 0.48 -1.98 1.51 -0.15 -0.47 117.35 119.75 1h2l s TYR 297 Ca 0.07 -0.41 -0.24 0.00 -1.01 0.00 0.00 57.07 55.49 1h2l s TYR 297 Cb -0.13 -1.34 -0.07 0.00 -0.11 0.00 0.00 41.96 40.31 1h2l s TYR 297 CO 0.03 -0.05 1.33 0.15 -1.11 0.00 0.00 175.55 175.91 1h2l s LYS 298 N -0.51 3.53 0.93 -0.62 1.02 -0.70 -0.91 119.74 122.49 1h2l s LYS 298 Ca 0.08 2.18 -0.12 0.00 0.02 0.00 0.00 55.97 58.13 1h2l s LYS 298 Cb -0.09 -2.47 0.15 0.00 -0.52 0.00 0.00 37.83 34.90 1h2l s LYS 298 CO -0.01 -0.86 1.10 0.20 -0.92 0.00 0.00 175.35 174.87 1h2l s GLY 299 N -0.88 1.58 1.14 -3.33 0.00 -1.26 0.17 107.32 104.74 1h2l s GLY 299 Ca 0.65 -0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.91 1h2l s GLY 299 CO 0.48 0.22 1.04 0.00 0.00 0.00 0.00 173.10 174.84 1h2l s ALA 300 N -3.07 -0.24 0.60 3.20 0.00 -1.26 -3.53 121.76 117.46 1h2l s ALA 300 Ca 0.64 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 1h2l s ALA 300 Cb -0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1h2l s ALA 300 CO 0.56 -3.70 1.06 -1.25 0.00 0.00 0.00 175.76 172.44 1h2l s PRO 301 N -4.54 3.26 -0.15 0.00 0.04 -1.26 -4.95 135.00 127.40 1h2l s PRO 301 Ca 0.68 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 1h2l s PRO 301 Cb -0.24 -2.02 -0.00 0.00 0.04 0.00 0.00 34.50 32.27 1h2l s PRO 301 CO 0.63 -0.86 1.04 0.99 0.04 0.00 0.00 177.00 178.84 1h2l s THR 302 N -2.43 4.70 0.00 1.26 2.01 -1.26 -5.18 115.64 114.74 1h2l s THR 302 Ca 0.64 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.64 1h2l s THR 302 Cb -0.17 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.05 1h2l s THR 302 CO 0.37 -0.07 0.00 -2.65 -0.69 0.00 0.00 174.62 171.58 1h2l n PRO 303 N 5.56 0.00 0.00 4.92 -0.02 -1.26 -5.33 135.00 138.87 1h2l n PRO 303 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1h2l n PRO 303 Cb 0.47 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.56 1h2l n PRO 303 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1h2l n GLU 307 N 0.00 0.00 -3.36 -0.52 2.13 -1.26 -5.32 120.64 112.31 1h2l n GLU 307 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 1h2l n GLU 307 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1h2l n GLU 307 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1h2l s TYR 308 N -0.72 3.48 0.49 4.31 2.02 -1.26 -4.22 117.35 121.46 1h2l s TYR 308 Ca 0.00 0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 57.11 1h2l s TYR 308 Cb 0.00 -2.07 -0.08 0.00 -0.40 0.00 0.00 41.96 39.41 1h2l s TYR 308 CO 0.00 0.17 1.00 -1.25 -1.57 0.00 0.00 175.55 173.90 1h2l s PRO 309 N -3.63 3.91 0.32 -1.71 0.04 -1.26 -5.12 135.00 127.55 1h2l s PRO 309 Ca 0.43 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1h2l s PRO 309 Cb -0.11 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1h2l s PRO 309 CO 0.31 -0.31 1.21 -0.51 0.04 0.00 0.00 177.00 177.74 1h2l s LEU 310 N -3.73 4.45 0.66 -3.56 1.02 -1.26 -5.02 118.68 111.24 1h2l s LEU 310 Ca 0.62 2.50 -0.13 0.00 0.02 0.00 0.00 54.13 57.14 1h2l s LEU 310 Cb -0.12 -3.68 -0.00 0.00 0.02 0.00 0.00 46.19 42.41 1h2l s LEU 310 CO 0.24 -0.40 1.07 -1.59 0.02 0.00 0.00 176.35 175.68 1h2l s LYS 311 N -1.72 3.00 0.25 1.70 -2.85 -1.26 -4.91 119.74 113.95 1h2l s LYS 311 Ca 0.48 1.12 -0.04 0.00 -1.00 0.00 0.00 55.97 56.53 1h2l s LYS 311 Cb -0.36 -1.99 0.46 0.00 -2.06 0.00 0.00 37.83 33.88 1h2l s LYS 311 CO 0.47 -1.06 1.76 0.00 0.10 0.00 0.00 175.35 176.61 1h2l h ALA 312 N -0.24 1.13 0.00 0.59 0.00 -1.95 -0.45 119.26 118.34 1h2l h ALA 312 Ca -0.45 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1h2l h ALA 312 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1h2l h ALA 312 CO 0.56 -0.12 -0.30 1.12 0.00 0.00 0.00 179.25 180.52 1h2l h HIS 313 N 0.56 0.00 -0.15 0.00 -0.00 -1.92 -1.48 115.15 112.15 1h2l h HIS 313 Ca 0.42 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.62 1h2l h HIS 313 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1h2l h HIS 313 CO -0.12 0.30 -0.59 1.96 -0.00 0.00 0.00 177.93 179.48 1h2l h GLN 314 N 0.00 0.50 -0.32 5.12 4.20 -1.46 -1.72 115.11 121.42 1h2l h GLN 314 Ca -0.00 -0.33 -0.11 0.00 0.06 0.00 0.00 58.65 58.27 1h2l h GLN 314 Cb 0.74 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1h2l h GLN 314 CO 0.04 0.94 -0.26 0.87 -0.67 0.00 0.00 178.83 179.76 1h2l h LYS 315 N 0.37 0.64 -0.29 1.46 1.57 -0.79 -0.99 116.57 118.54 1h2l h LYS 315 Ca -0.00 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 1h2l h LYS 315 Cb 1.13 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1h2l h LYS 315 CO 0.11 0.83 0.16 0.28 -0.57 0.00 0.00 179.45 180.26 1h2l h VAL 316 N 0.55 1.12 -0.85 0.50 2.07 -1.13 -0.76 116.25 117.76 1h2l h VAL 316 Ca 0.08 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.35 1h2l h VAL 316 Cb 0.73 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 1h2l h VAL 316 CO 0.06 0.12 0.51 0.00 0.02 0.00 0.00 177.57 178.28 1h2l h ALA 317 N 1.04 1.19 -0.39 1.67 0.00 -0.99 -0.62 119.26 121.17 1h2l h ALA 317 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1h2l h ALA 317 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1h2l h ALA 317 CO -0.02 0.18 0.19 0.82 0.00 0.00 0.00 179.25 180.43 1h2l h ILE 318 N 0.88 1.16 -0.62 0.00 2.04 -0.70 -1.76 117.51 118.52 1h2l h ILE 318 Ca 0.39 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1h2l h ILE 318 Cb 0.28 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1h2l h ILE 318 CO -0.21 0.17 0.08 0.24 0.00 0.00 0.00 178.15 178.43 1h2l h MET 319 N 0.49 1.04 -0.48 2.37 2.86 -0.33 -0.96 114.93 119.91 1h2l h MET 319 Ca 0.13 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1h2l h MET 319 Cb 0.10 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1h2l h MET 319 CO -0.02 0.98 0.31 0.00 1.06 0.00 0.00 176.91 179.23 1h2l h ARG 320 N 0.94 0.60 -0.60 1.72 3.08 -0.96 -1.70 114.38 117.47 1h2l h ARG 320 Ca 0.19 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1h2l h ARG 320 Cb 0.45 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 1h2l h ARG 320 CO 0.02 0.40 0.22 -0.91 -1.07 0.00 0.00 179.97 178.62 1h2l h ASN 321 N 0.62 0.84 -0.57 7.04 2.35 -0.79 -0.49 115.58 124.57 1h2l h ASN 321 Ca 0.19 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.77 1h2l h ASN 321 Cb -0.03 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1h2l h ASN 321 CO -0.06 0.80 0.37 0.40 -1.65 0.00 0.00 177.43 177.28 1h2l h ILE 322 N 0.83 1.11 -0.61 2.81 1.08 -0.97 0.33 117.51 122.10 1h2l h ILE 322 Ca 0.20 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1h2l h ILE 322 Cb 0.24 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.27 1h2l h ILE 322 CO -0.01 0.13 0.30 -0.33 -0.69 0.00 0.00 178.15 177.55 1h2l h GLU 323 N 0.74 0.88 -0.25 2.37 5.08 -0.86 -1.56 114.58 120.98 1h2l h GLU 323 Ca 0.22 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1h2l h GLU 323 Cb -0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1h2l h GLU 323 CO -0.07 0.70 0.07 0.87 -1.00 0.00 0.00 179.01 179.58 1h2l h LYS 324 N 0.84 0.40 -0.84 2.33 1.57 -0.66 -1.94 116.57 118.27 1h2l h LYS 324 Ca 0.21 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1h2l h LYS 324 Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 1h2l h LYS 324 CO -0.03 0.49 0.38 0.52 -0.57 0.00 0.00 179.45 180.24 1h2l h MET 325 N 0.24 1.21 -0.46 3.15 2.86 -0.79 -1.90 114.93 119.24 1h2l h MET 325 Ca 0.08 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.47 1h2l h MET 325 Cb 0.26 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1h2l h MET 325 CO -0.00 0.94 0.06 -0.07 1.06 0.00 0.00 176.91 178.90 1h2l h LEU 326 N 1.20 0.75 -0.41 1.22 4.07 -1.16 0.12 115.31 121.10 1h2l h LEU 326 Ca 0.28 -0.27 0.04 0.00 0.08 0.00 0.00 57.88 58.02 1h2l h LEU 326 Cb 0.14 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.64 1h2l h LEU 326 CO -0.03 0.83 0.17 1.23 -1.08 0.00 0.00 178.44 179.56 1h2l h GLY 327 N 0.64 0.54 0.99 0.83 0.00 -1.11 0.21 103.07 105.17 1h2l h GLY 327 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 1h2l h GLY 327 CO 0.01 0.06 -0.19 0.83 0.00 0.00 0.00 176.54 177.25 1h2l h GLU 328 N 0.36 0.77 -0.25 4.80 4.39 -1.10 -2.54 114.58 121.00 1h2l h GLU 328 Ca 0.18 -0.34 -0.15 0.00 0.34 0.00 0.00 59.36 59.39 1h2l h GLU 328 Cb 0.13 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1h2l h GLU 328 CO -0.16 0.96 -0.45 0.00 -1.16 0.00 0.00 179.01 178.20 1h2l h ALA 329 N 0.79 0.75 0.00 3.43 0.00 -0.46 -2.84 119.26 120.93 1h2l h ALA 329 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1h2l h ALA 329 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1h2l h ALA 329 CO 0.06 0.66 0.00 1.28 0.00 0.00 0.00 179.25 181.25 1h2l n LEU 330 N -4.01 0.68 0.00 0.00 4.77 0.04 -4.90 117.00 113.57 1h2l n LEU 330 Ca -0.02 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1h2l n LEU 330 Cb 0.55 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1h2l n LEU 330 CO 0.46 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1h2l n GLY 331 N 1.34 0.81 3.25 -0.72 0.00 -0.96 -4.93 105.19 103.98 1h2l n GLY 331 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 1h2l n GLY 331 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1h2l s ASN 332 N -2.81 -0.47 0.56 1.61 3.84 -1.21 -5.03 114.94 111.44 1h2l s ASN 332 Ca 0.00 0.93 0.30 0.00 0.21 0.00 0.00 52.86 54.30 1h2l s ASN 332 Cb 0.00 1.60 1.69 0.00 -0.55 0.00 0.00 41.25 43.99 1h2l s ASN 332 CO 0.00 -0.25 2.17 -0.65 -2.79 0.00 0.00 177.10 175.58 1h2l h PRO 333 N 8.12 0.00 0.00 0.43 0.11 -1.92 0.34 132.00 139.08 1h2l h PRO 333 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1h2l h PRO 333 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1h2l h PRO 333 CO 0.17 0.06 0.00 1.04 -0.21 0.00 0.00 178.00 179.06 1h2l n GLN 334 N -3.63 0.20 0.00 1.05 6.02 -1.26 -1.83 117.38 117.94 1h2l n GLN 334 Ca -0.02 0.42 0.14 0.00 -0.01 0.00 0.00 57.00 57.52 1h2l n GLN 334 Cb 0.17 -1.88 0.60 0.00 1.02 0.00 0.00 30.24 30.15 1h2l n GLN 334 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1h2l n GLU 335 N -2.26 0.58 -0.03 -1.09 1.02 0.11 -4.22 120.64 114.76 1h2l n GLU 335 Ca 0.02 -0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 56.86 1h2l n GLU 335 Cb 0.24 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.11 1h2l n GLU 335 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1h2l h VAL 336 N 0.46 1.16 0.67 2.62 2.07 -1.49 -2.85 116.25 118.89 1h2l h VAL 336 Ca 0.00 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1h2l h VAL 336 Cb 0.37 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1h2l h VAL 336 CO 0.00 0.15 -0.50 1.23 0.02 0.00 0.00 177.57 178.47 1h2l h GLY 337 N 0.03 -1.31 0.19 2.17 0.00 -1.79 -1.46 103.07 100.92 1h2l h GLY 337 Ca 0.04 0.56 0.15 0.00 0.00 0.00 0.00 47.33 48.09 1h2l h GLY 337 CO -0.00 -0.42 0.43 -2.55 0.00 0.00 0.00 176.54 174.00 1h2l h PRO 338 N -1.12 0.59 -0.37 4.80 0.11 -1.80 0.87 132.00 135.07 1h2l h PRO 338 Ca -0.09 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1h2l h PRO 338 Cb 0.93 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 1h2l h PRO 338 CO 0.03 0.39 0.16 1.25 -0.21 0.00 0.00 178.00 179.62 1h2l h LEU 339 N 0.60 0.50 -0.55 2.35 6.46 -1.38 -0.56 115.31 122.72 1h2l h LEU 339 Ca 0.47 -0.15 0.02 0.00 -0.12 0.00 0.00 57.88 58.10 1h2l h LEU 339 Cb 0.68 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1h2l h LEU 339 CO -0.37 0.51 0.34 -0.07 -0.62 0.00 0.00 178.44 178.23 1h2l h LEU 340 N 0.45 0.56 -0.40 2.25 3.38 -0.23 0.86 115.31 122.19 1h2l h LEU 340 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1h2l h LEU 340 Cb 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1h2l h LEU 340 CO -0.01 0.40 0.21 0.78 0.09 0.00 0.00 178.44 179.90 1h2l h ASN 341 N 0.68 0.50 -0.85 -0.43 2.35 -0.75 -2.21 115.58 114.86 1h2l h ASN 341 Ca 0.22 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1h2l h ASN 341 Cb -0.01 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 1h2l h ASN 341 CO -0.08 0.46 0.56 0.74 -1.65 0.00 0.00 177.43 177.46 1h2l h THR 342 N 0.51 1.14 -0.67 2.81 2.02 -0.64 -1.09 112.91 116.99 1h2l h THR 342 Ca 0.14 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1h2l h THR 342 Cb 0.08 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.44 1h2l h THR 342 CO -0.02 0.19 0.28 0.24 0.37 0.00 0.00 175.52 176.59 1h2l h MET 343 N 1.06 0.99 0.01 6.66 2.86 -0.27 -3.35 114.93 122.90 1h2l h MET 343 Ca 0.34 -0.17 -0.34 0.00 -2.06 0.00 0.00 59.70 57.47 1h2l h MET 343 Cb 0.03 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.46 1h2l h MET 343 CO -0.10 0.82 -2.06 0.44 1.06 0.00 0.00 176.91 177.06 1h2l n ILE 344 N -4.42 1.52 -1.99 -1.22 -5.35 -0.89 -4.59 119.36 102.43 1h2l n ILE 344 Ca 0.05 -0.80 -0.42 0.00 -0.27 0.00 0.00 62.75 61.31 1h2l n ILE 344 Cb 0.16 -0.86 -0.03 0.00 -1.74 0.00 0.00 39.64 37.17 1h2l n ILE 344 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1h2l s LYS 345 N -2.54 4.24 0.00 6.28 -2.85 -0.44 -0.86 119.74 123.55 1h2l s LYS 345 Ca -0.10 2.29 0.00 0.00 -1.00 0.00 0.00 55.97 57.17 1h2l s LYS 345 Cb 0.07 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.64 1h2l s LYS 345 CO 0.81 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 176.09 1h2l n GLY 346 N 3.71 0.21 1.21 0.59 0.00 -1.26 -4.78 105.19 104.88 1h2l n GLY 346 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1h2l n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2l n ARG 347 N -0.71 0.00 0.00 1.61 1.74 -0.04 -4.90 116.66 114.36 1h2l n ARG 347 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1h2l n ARG 347 Cb 0.28 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 1h2l n ARG 347 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1h2l n TYR 348 N -2.87 0.00 0.43 -1.55 4.01 -0.09 -5.07 117.16 112.03 1h2l n TYR 348 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.79 1h2l n TYR 348 Cb 0.38 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.45 1h2l n TYR 348 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67