#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sii s SER 10 N 0.00 6.77 0.00 0.00 0.15 -1.26 -4.88 113.70 114.48 1sii s SER 10 Ca 0.00 2.46 0.15 0.00 0.70 0.00 0.00 55.95 59.25 1sii s SER 10 Cb 0.00 -2.60 0.78 0.00 -1.71 0.00 0.00 66.02 62.49 1sii s SER 10 CO 0.00 -0.66 1.37 -0.81 1.20 0.00 0.00 173.24 174.34 1sii n PRO 11 N 3.30 0.28 -0.33 5.44 -0.04 -1.26 -2.20 135.00 140.19 1sii n PRO 11 Ca 0.10 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.75 1sii n PRO 11 Cb 0.41 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.63 1sii n PRO 11 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sii n PHE 12 N -1.20 0.85 -1.29 0.54 3.72 -1.26 -4.74 117.46 114.08 1sii n PHE 12 Ca 0.08 -0.53 -0.33 0.00 -0.05 0.00 0.00 57.45 56.61 1sii n PHE 12 Cb 0.10 -0.06 0.11 0.00 -0.94 0.00 0.00 39.48 38.68 1sii n PHE 12 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1sii s ARG 13 N -1.20 1.95 0.71 -1.08 1.70 -0.93 -4.74 118.95 115.35 1sii s ARG 13 Ca 0.39 1.68 -0.16 0.00 -0.47 0.00 0.00 55.73 57.17 1sii s ARG 13 Cb 0.22 -1.82 0.03 0.00 -0.57 0.00 0.00 34.95 32.81 1sii s ARG 13 CO 0.24 -1.96 1.25 -0.51 -1.08 0.00 0.00 175.30 173.24 1sii s LEU 14 N -5.45 3.39 0.30 -1.89 1.43 -1.26 -4.95 118.68 110.25 1sii s LEU 14 Ca 0.72 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 56.01 1sii s LEU 14 Cb -0.27 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.24 1sii s LEU 14 CO 0.48 -2.25 1.49 0.00 0.23 0.00 0.00 176.35 176.31 1sii s ALA 15 N -1.75 3.64 0.28 4.21 0.00 -1.26 -5.02 121.76 121.86 1sii s ALA 15 Ca 0.78 1.47 0.04 0.00 0.00 0.00 0.00 51.96 54.24 1sii s ALA 15 Cb -0.33 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.17 1sii s ALA 15 CO 0.44 -0.89 0.42 -1.54 0.00 0.00 0.00 175.76 174.19 1sii s SER 16 N 0.20 6.30 0.26 0.00 1.04 -1.26 -4.33 113.70 115.91 1sii s SER 16 Ca 0.58 0.19 -0.03 0.00 0.48 0.00 0.00 55.95 57.17 1sii s SER 16 Cb -0.45 -1.90 0.39 0.00 0.10 0.00 0.00 66.02 64.16 1sii s SER 16 CO 0.51 -0.15 1.88 0.00 0.98 0.00 0.00 173.24 176.45 1sii h ALA 17 N 1.03 1.36 -0.93 5.32 0.00 -1.95 -1.38 119.26 122.70 1sii h ALA 17 Ca -0.51 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1sii h ALA 17 Cb 1.23 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1sii h ALA 17 CO 0.61 0.42 0.59 0.78 0.00 0.00 0.00 179.25 181.65 1sii h GLY 18 N 1.15 1.38 1.17 0.00 0.00 -1.99 -1.62 103.07 103.17 1sii h GLY 18 Ca 0.42 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1sii h GLY 18 CO -0.17 0.33 0.05 0.83 0.00 0.00 0.00 176.54 177.59 1sii h GLU 19 N 1.11 1.01 -0.12 4.80 5.08 -1.65 -0.91 114.58 123.89 1sii h GLU 19 Ca 0.39 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1sii h GLU 19 Cb 0.10 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1sii h GLU 19 CO -0.15 0.95 -0.05 0.82 -1.00 0.00 0.00 179.01 179.58 1sii h ILE 20 N 0.94 1.31 -0.74 3.13 2.04 -1.13 -0.31 117.51 122.75 1sii h ILE 20 Ca 0.18 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 65.06 1sii h ILE 20 Cb 0.47 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1sii h ILE 20 CO 0.02 0.31 0.48 0.28 0.00 0.00 0.00 178.15 179.24 1sii h SER 21 N -0.09 0.59 -0.06 1.72 0.02 -1.26 -0.97 113.55 113.50 1sii h SER 21 Ca 0.03 0.01 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 1sii h SER 21 Cb 0.51 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1sii h SER 21 CO 0.02 0.36 -0.68 -0.08 -1.14 0.00 0.00 176.83 175.31 1sii h GLU 22 N 0.66 0.69 -0.95 3.45 4.57 -0.78 -0.87 114.58 121.36 1sii h GLU 22 Ca 0.34 -0.51 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1sii h GLU 22 Cb 0.43 0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 1sii h GLU 22 CO -0.12 1.13 0.58 0.28 -1.18 0.00 0.00 179.01 179.70 1sii h VAL 23 N 0.49 1.26 -0.24 0.32 2.07 -0.39 0.51 116.25 120.27 1sii h VAL 23 Ca -0.02 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1sii h VAL 23 Cb 1.28 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1sii h VAL 23 CO 0.13 0.27 0.15 -0.61 0.02 0.00 0.00 177.57 177.53 1sii h GLN 24 N 1.30 0.31 -0.56 1.57 4.15 -0.94 -0.10 115.11 120.85 1sii h GLN 24 Ca 0.34 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.69 1sii h GLN 24 Cb -0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1sii h GLN 24 CO -0.07 0.20 0.13 0.78 -1.93 0.00 0.00 178.83 177.94 1sii h GLY 25 N 0.31 0.96 0.95 2.39 0.00 -0.63 -0.42 103.07 106.64 1sii h GLY 25 Ca 0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1sii h GLY 25 CO -0.02 0.57 0.19 -2.22 0.00 0.00 0.00 176.54 175.05 1sii h ILE 26 N 0.80 1.17 -0.61 2.60 2.04 -0.75 -0.37 117.51 122.39 1sii h ILE 26 Ca 0.17 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 1sii h ILE 26 Cb 0.35 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1sii h ILE 26 CO 0.00 0.18 0.25 -0.07 0.00 0.00 0.00 178.15 178.52 1sii h LEU 27 N 0.49 0.84 -0.06 1.44 3.38 -0.78 -1.73 115.31 118.90 1sii h LEU 27 Ca 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sii h LEU 27 Cb 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sii h LEU 27 CO -0.02 0.77 0.04 0.03 0.09 0.00 0.00 178.44 179.35 1sii h ARG 28 N 0.85 0.08 -0.37 1.13 3.08 -0.88 -0.41 114.38 117.85 1sii h ARG 28 Ca 0.20 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1sii h ARG 28 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1sii h ARG 28 CO -0.02 0.07 0.25 1.15 -1.07 0.00 0.00 179.97 180.34 1sii h THR 29 N 0.06 1.08 -0.00 2.04 2.02 -0.90 -1.76 112.91 115.44 1sii h THR 29 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1sii h THR 29 Cb 0.01 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1sii h THR 29 CO -0.00 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 175.90 1sii n ALA 30 N -2.49 2.71 -0.81 6.16 0.00 -0.67 -4.91 120.51 120.52 1sii n ALA 30 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1sii n ALA 30 Cb 0.08 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1sii n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sii n GLY 31 N 1.21 0.52 0.48 0.00 0.00 -0.66 -4.95 105.19 101.79 1sii n GLY 31 Ca 0.17 -0.69 0.09 0.00 0.00 0.00 0.00 46.02 45.60 1sii n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sii n LEU 32 N 0.00 1.94 -2.88 0.99 4.77 -0.20 -4.63 117.00 116.99 1sii n LEU 32 Ca 0.00 -0.80 -0.14 0.00 -0.03 0.00 0.00 56.01 55.03 1sii n LEU 32 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sii n LEU 32 CO 0.00 0.36 -0.14 -0.11 -1.33 0.00 0.00 177.39 176.17 1sii n LEU 33 N 0.13 1.51 0.00 2.23 7.94 -1.21 -4.92 117.00 122.67 1sii n LEU 33 Ca 0.08 -4.41 -0.25 0.00 -1.11 0.00 0.00 56.01 50.33 1sii n LEU 33 Cb 0.41 0.46 0.21 0.00 0.53 0.00 0.00 43.42 45.02 1sii n LEU 33 CO 0.21 1.93 0.48 0.61 -1.11 0.00 0.00 177.39 179.52 1sii n GLY 34 N 0.05 -2.82 0.28 -3.96 0.00 -1.26 -4.75 105.19 92.73 1sii n GLY 34 Ca 0.18 -1.47 0.16 0.00 0.00 0.00 0.00 46.02 44.89 1sii n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sii h PRO 35 N 0.00 0.00 -0.08 1.61 0.13 -2.01 -2.17 132.00 129.49 1sii h PRO 35 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1sii h PRO 35 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1sii h PRO 35 CO 0.22 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.44 1sii n GLU 36 N -3.38 1.76 -3.44 0.86 4.71 -1.26 -4.91 120.64 114.97 1sii n GLU 36 Ca -0.01 -1.11 -0.35 0.00 -0.01 0.00 0.00 57.16 55.67 1sii n GLU 36 Cb 0.22 -1.45 -0.06 0.00 -1.01 0.00 0.00 31.44 29.14 1sii n GLU 36 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 1sii s LYS 37 N -1.92 3.90 -0.01 3.49 -0.14 -0.82 -1.11 119.74 123.14 1sii s LYS 37 Ca 0.36 0.38 0.03 0.00 -1.36 0.00 0.00 55.97 55.37 1sii s LYS 37 Cb 0.20 -2.98 -0.01 0.00 -1.68 0.00 0.00 37.83 33.36 1sii s LYS 37 CO 0.31 0.52 -0.09 1.03 -0.76 0.00 0.00 175.35 176.37 1sii s ARG 38 N -1.86 0.74 -0.39 1.68 1.81 0.56 -4.84 118.95 116.65 1sii s ARG 38 Ca 0.35 -0.32 -0.28 0.00 -1.72 0.00 0.00 55.73 53.77 1sii s ARG 38 Cb -0.15 -0.72 0.02 0.00 -0.45 0.00 0.00 34.95 33.65 1sii s ARG 38 CO 0.18 0.18 1.03 0.42 -0.68 0.00 0.00 175.30 176.43 1sii s ILE 39 N -0.17 4.46 -0.04 1.52 1.01 0.18 -0.35 121.20 127.80 1sii s ILE 39 Ca 0.03 1.34 0.13 0.00 0.00 0.00 0.00 60.65 62.15 1sii s ILE 39 Cb -0.04 -4.44 -0.16 0.00 0.01 0.00 0.00 42.46 37.84 1sii s ILE 39 CO -0.00 -0.66 0.97 0.00 0.00 0.00 0.00 174.94 175.24 1sii h ALA 40 N 8.59 0.63 -2.53 9.38 0.00 -1.43 -3.40 119.26 130.49 1sii h ALA 40 Ca -0.22 -1.02 -0.10 0.00 0.00 0.00 0.00 54.91 53.58 1sii h ALA 40 Cb 1.07 0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 1sii h ALA 40 CO 1.04 1.18 -0.16 -0.47 0.00 0.00 0.00 179.25 180.84 1sii s TYR 41 N -2.77 -0.59 -0.14 0.00 5.04 -1.18 -4.80 117.35 112.92 1sii s TYR 41 Ca -0.02 1.36 -0.07 0.00 -2.44 0.00 0.00 57.07 55.91 1sii s TYR 41 Cb 0.09 0.23 0.06 0.00 0.35 0.00 0.00 41.96 42.68 1sii s TYR 41 CO 0.81 -0.29 0.32 -1.17 -1.34 0.00 0.00 175.55 173.87 1sii s LEU 42 N 0.58 0.06 0.01 6.97 0.20 -1.26 -1.07 118.68 124.18 1sii s LEU 42 Ca -0.03 0.70 -0.21 0.00 0.69 0.00 0.00 54.13 55.28 1sii s LEU 42 Cb -0.05 0.99 0.04 0.00 -0.43 0.00 0.00 46.19 46.75 1sii s LEU 42 CO -0.03 -0.19 0.47 -0.83 -0.29 0.00 0.00 176.35 175.48 1sii s GLY 43 N 1.57 -0.35 0.44 7.98 0.00 -0.62 -4.60 107.32 111.74 1sii s GLY 43 Ca -0.07 0.59 -0.22 0.00 0.00 0.00 0.00 44.72 45.01 1sii s GLY 43 CO -0.10 0.31 1.07 0.54 0.00 0.00 0.00 173.10 174.92 1sii s VAL 44 N -1.96 3.61 0.15 1.40 0.11 -1.26 -0.44 120.40 122.02 1sii s VAL 44 Ca -0.08 1.15 -0.02 0.00 -2.93 0.00 0.00 61.98 60.09 1sii s VAL 44 Cb -0.02 -3.55 -0.05 0.00 -1.53 0.00 0.00 36.38 31.24 1sii s VAL 44 CO 0.02 -0.08 0.36 -0.76 -3.33 0.00 0.00 175.10 171.31 1sii s LEU 45 N -3.01 4.26 0.53 2.54 1.43 0.84 -4.82 118.68 120.46 1sii s LEU 45 Ca 0.62 0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 1sii s LEU 45 Cb -0.21 -3.20 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1sii s LEU 45 CO 0.26 0.03 1.03 -1.81 0.23 0.00 0.00 176.35 176.09 1sii s ASP 46 N -2.75 6.23 0.54 2.29 1.01 -1.26 -4.63 116.67 118.09 1sii s ASP 46 Ca 0.39 1.80 -0.21 0.00 0.71 0.00 0.00 52.55 55.24 1sii s ASP 46 Cb -0.12 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1sii s ASP 46 CO 0.27 -0.86 1.17 -2.65 0.21 0.00 0.00 175.17 173.31 1sii n PRO 47 N -1.47 1.39 -1.23 8.23 -0.02 -1.26 -4.98 135.00 135.67 1sii n PRO 47 Ca 0.08 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1sii n PRO 47 Cb 0.53 -2.35 0.13 0.00 -0.02 0.00 0.00 33.50 31.79 1sii n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sii s ALA 48 N -1.35 1.73 0.30 3.55 0.00 -1.26 -4.97 121.76 119.76 1sii s ALA 48 Ca 0.71 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1sii s ALA 48 Cb -0.44 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.35 1sii s ALA 48 CO 0.50 -2.20 1.57 0.54 0.00 0.00 0.00 175.76 176.17 1sii n ARG 49 N -3.79 2.64 -1.39 0.00 5.12 -1.26 -2.59 116.66 115.40 1sii n ARG 49 Ca 0.07 0.94 -0.13 0.00 -1.93 0.00 0.00 57.85 56.80 1sii n ARG 49 Cb 0.55 -2.71 -0.06 0.00 -1.16 0.00 0.00 32.46 29.09 1sii n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sii n GLY 50 N 1.97 1.38 0.65 -0.13 0.00 -1.26 -4.89 105.19 102.90 1sii n GLY 50 Ca 0.08 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1sii n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sii n ALA 51 N 1.21 2.52 0.23 4.61 0.00 -1.07 -4.01 120.51 124.01 1sii n ALA 51 Ca -0.13 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 52.82 1sii n ALA 51 Cb 0.43 -1.05 0.56 0.00 0.00 0.00 0.00 19.45 19.39 1sii n ALA 51 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sii h GLY 52 N 4.85 0.00 1.13 0.00 0.00 -1.90 -2.90 103.07 104.25 1sii h GLY 52 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1sii h GLY 52 CO 0.00 0.00 -0.10 1.76 0.00 0.00 0.00 176.54 178.20 1sii h SER 53 N 0.00 1.02 -4.31 0.19 0.02 -2.00 -3.46 113.55 105.00 1sii h SER 53 Ca -0.00 -0.33 -0.47 0.00 -0.84 0.00 0.00 61.79 60.15 1sii h SER 53 Cb 0.37 -0.28 0.09 0.00 0.14 0.00 0.00 62.40 62.72 1sii h SER 53 CO 0.02 1.12 0.35 -1.61 -1.14 0.00 0.00 176.83 175.58 1sii s GLU 54 N -4.85 2.23 0.72 3.45 0.41 -1.10 -5.07 118.70 114.50 1sii s GLU 54 Ca -0.11 0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.41 1sii s GLU 54 Cb 0.13 -2.04 0.03 0.00 -1.78 0.00 0.00 34.13 30.47 1sii s GLU 54 CO 0.86 -1.35 1.07 0.00 -0.49 0.00 0.00 175.26 175.35 1sii s ALA 55 N -3.42 2.50 0.30 5.21 0.00 -1.26 -4.97 121.76 120.12 1sii s ALA 55 Ca 0.60 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 1sii s ALA 55 Cb -0.11 -3.22 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1sii s ALA 55 CO 0.48 -1.44 1.58 -0.85 0.00 0.00 0.00 175.76 175.53 1sii n GLU 56 N -3.24 2.68 -3.68 0.00 0.28 -1.26 -4.99 120.64 110.43 1sii n GLU 56 Ca 0.08 0.95 -0.30 0.00 -0.16 0.00 0.00 57.16 57.74 1sii n GLU 56 Cb 0.53 -2.73 -0.14 0.00 1.43 0.00 0.00 31.44 30.54 1sii n GLU 56 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1sii s ASP 57 N 0.43 3.68 -0.28 -1.84 2.15 -1.26 -5.00 116.67 114.55 1sii s ASP 57 Ca 0.63 -2.17 -0.29 0.00 0.43 0.00 0.00 52.55 51.15 1sii s ASP 57 Cb -0.50 -0.86 0.00 0.00 -0.30 0.00 0.00 42.92 41.26 1sii s ASP 57 CO 0.50 -0.33 1.27 -0.13 -0.17 0.00 0.00 175.17 176.31 1sii s ARG 58 N 0.97 3.99 0.08 4.34 1.81 -1.26 -4.93 118.95 123.94 1sii s ARG 58 Ca 0.15 1.30 0.09 0.00 -1.72 0.00 0.00 55.73 55.55 1sii s ARG 58 Cb -0.21 -3.84 -0.03 0.00 -0.45 0.00 0.00 34.95 30.41 1sii s ARG 58 CO -0.10 -1.03 -0.23 1.03 -0.68 0.00 0.00 175.30 174.30 1sii s ARG 59 N 4.00 1.77 -0.02 3.54 0.52 -1.26 -1.21 118.95 126.29 1sii s ARG 59 Ca 0.55 -1.15 0.06 0.00 -0.52 0.00 0.00 55.73 54.66 1sii s ARG 59 Cb -0.17 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.25 1sii s ARG 59 CO 0.21 0.50 -0.19 -0.06 0.02 0.00 0.00 175.30 175.78 1sii s PHE 60 N -0.96 1.69 -0.14 -0.53 0.40 0.05 -0.11 117.98 118.39 1sii s PHE 60 Ca 0.14 -0.35 -0.05 0.00 -0.60 0.00 0.00 56.93 56.07 1sii s PHE 60 Cb -0.10 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 1sii s PHE 60 CO 0.05 -0.05 0.03 0.50 0.70 0.00 0.00 175.22 176.45 1sii s ARG 61 N -0.36 3.60 -0.03 0.44 3.52 0.41 -0.82 118.95 125.72 1sii s ARG 61 Ca 0.05 -0.38 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1sii s ARG 61 Cb -0.08 -3.04 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1sii s ARG 61 CO -0.00 0.43 -0.09 0.08 -0.81 0.00 0.00 175.30 174.91 1sii s VAL 62 N -0.11 0.78 -0.25 7.11 1.01 0.63 -1.59 120.40 127.97 1sii s VAL 62 Ca 0.06 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1sii s VAL 62 Cb -0.12 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1sii s VAL 62 CO 0.02 0.24 0.05 -0.36 0.00 0.00 0.00 175.10 175.05 1sii s PHE 63 N 0.21 3.08 -0.21 5.22 0.08 -0.23 -0.64 117.98 125.48 1sii s PHE 63 Ca -0.03 -0.62 -0.04 0.00 0.12 0.00 0.00 56.93 56.36 1sii s PHE 63 Cb -0.09 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.13 1sii s PHE 63 CO 0.00 -0.44 -0.04 0.42 -0.10 0.00 0.00 175.22 175.07 1sii s ILE 64 N 1.57 3.43 0.26 0.64 1.01 -0.01 -1.10 121.20 127.00 1sii s ILE 64 Ca 0.06 -0.48 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1sii s ILE 64 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 1sii s ILE 64 CO 0.02 0.43 0.45 -2.28 0.00 0.00 0.00 174.94 173.56 1sii s HIS 65 N 1.35 3.48 -0.15 3.97 5.65 0.52 -1.31 115.29 128.81 1sii s HIS 65 Ca 0.04 0.33 -0.00 0.00 0.25 0.00 0.00 55.06 55.68 1sii s HIS 65 Cb -0.14 -1.86 0.03 0.00 -1.18 0.00 0.00 32.58 29.43 1sii s HIS 65 CO -0.02 0.29 -0.08 0.34 -0.65 0.00 0.00 174.74 174.61 1sii s ASP 66 N -3.53 2.61 0.06 9.88 -1.08 -1.26 -0.32 116.67 123.03 1sii s ASP 66 Ca 0.39 -0.52 0.23 0.00 -0.52 0.00 0.00 52.55 52.13 1sii s ASP 66 Cb -0.10 -0.97 0.93 0.00 -1.46 0.00 0.00 42.92 41.32 1sii s ASP 66 CO 0.31 -0.13 1.72 1.33 0.52 0.00 0.00 175.17 178.92 1sii n VAL 67 N 4.86 0.53 1.02 1.11 0.24 -0.27 -3.02 118.33 122.81 1sii n VAL 67 Ca -0.13 0.08 0.09 0.00 -2.04 0.00 0.00 64.34 62.34 1sii n VAL 67 Cb 0.49 -0.77 0.30 0.00 -1.47 0.00 0.00 33.84 32.40 1sii n VAL 67 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1sii n SER 68 N -1.68 1.93 0.00 -1.34 3.41 -1.26 -4.91 113.62 109.76 1sii n SER 68 Ca 0.05 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1sii n SER 68 Cb 0.28 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1sii n SER 68 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sii n GLY 69 N 1.16 0.52 3.79 5.00 0.00 -1.17 -5.07 105.19 109.42 1sii n GLY 69 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1sii n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sii s ALA 70 N -2.24 2.40 0.44 4.61 0.00 -1.26 -4.99 121.76 120.72 1sii s ALA 70 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 1sii s ALA 70 Cb 0.00 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.85 1sii s ALA 70 CO 0.00 -1.55 1.16 1.03 0.00 0.00 0.00 175.76 176.39 1sii s ARG 71 N -5.01 3.87 0.80 0.00 0.52 -1.26 -4.41 118.95 113.47 1sii s ARG 71 Ca 0.60 1.77 -0.12 0.00 -0.52 0.00 0.00 55.73 57.46 1sii s ARG 71 Cb -0.15 -2.49 0.07 0.00 0.52 0.00 0.00 34.95 32.90 1sii s ARG 71 CO 0.55 -0.45 1.14 -1.25 0.02 0.00 0.00 175.30 175.31 1sii s PRO 72 N -2.58 2.04 0.04 3.54 0.04 -1.26 -4.77 135.00 132.06 1sii s PRO 72 Ca 0.61 0.29 0.06 0.00 0.04 0.00 0.00 61.00 62.00 1sii s PRO 72 Cb -0.28 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1sii s PRO 72 CO 0.35 -1.58 -0.16 -0.65 0.04 0.00 0.00 177.00 175.00 1sii s GLN 73 N -5.42 1.07 -0.22 4.56 -0.21 -0.43 -0.70 119.66 118.32 1sii s GLN 73 Ca 0.61 -0.82 -0.09 0.00 0.02 0.00 0.00 55.36 55.09 1sii s GLN 73 Cb -0.12 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.73 1sii s GLN 73 CO 0.51 0.28 0.11 -2.00 -2.12 0.00 0.00 175.29 172.07 1sii s GLU 74 N -1.16 3.98 -0.01 2.91 2.12 -0.46 -0.83 118.70 125.25 1sii s GLU 74 Ca 0.03 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 55.07 1sii s GLU 74 Cb -0.08 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.93 1sii s GLU 74 CO 0.01 0.12 -0.11 0.08 -0.54 0.00 0.00 175.26 174.83 1sii s VAL 75 N 0.82 0.89 -0.13 3.70 1.01 0.18 -1.31 120.40 125.56 1sii s VAL 75 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1sii s VAL 75 Cb -0.13 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 1sii s VAL 75 CO 0.02 0.26 -0.15 -0.89 0.00 0.00 0.00 175.10 174.33 1sii s THR 76 N -0.16 2.77 -0.03 3.92 2.01 -0.10 -0.27 115.64 123.78 1sii s THR 76 Ca 0.03 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1sii s THR 76 Cb -0.05 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 1sii s THR 76 CO -0.00 0.53 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.52 1sii s VAL 77 N 0.49 2.21 -0.51 3.82 1.01 0.00 -0.77 120.40 126.64 1sii s VAL 77 Ca -0.11 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.64 1sii s VAL 77 Cb -0.16 -1.78 0.06 0.00 0.00 0.00 0.00 36.38 34.49 1sii s VAL 77 CO 0.05 0.58 0.65 -0.55 0.00 0.00 0.00 175.10 175.83 1sii s SER 78 N -0.54 6.23 0.33 3.32 0.15 0.16 -0.77 113.70 122.59 1sii s SER 78 Ca 0.08 -0.87 0.14 0.00 0.70 0.00 0.00 55.95 56.00 1sii s SER 78 Cb -0.11 -2.30 0.56 0.00 -1.71 0.00 0.00 66.02 62.46 1sii s SER 78 CO 0.00 -0.92 1.70 -0.37 1.20 0.00 0.00 173.24 174.85 1sii h VAL 79 N 5.88 1.21 -0.12 4.45 -1.51 -1.44 0.13 116.25 124.85 1sii h VAL 79 Ca -0.27 -1.72 -0.00 0.00 -1.23 0.00 0.00 66.70 63.47 1sii h VAL 79 Cb 1.09 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 1sii h VAL 79 CO 0.98 0.47 0.07 0.74 -1.23 0.00 0.00 177.57 178.60 1sii h THR 80 N 0.00 1.06 -0.01 7.19 2.02 -1.91 -3.23 112.91 118.02 1sii h THR 80 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1sii h THR 80 Cb 0.93 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1sii h THR 80 CO 0.06 0.05 -0.61 0.59 0.37 0.00 0.00 175.52 175.98 1sii n ASN 81 N -4.99 1.16 -1.32 4.18 3.02 -1.14 -4.98 115.26 111.19 1sii n ASN 81 Ca -0.05 -0.94 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 1sii n ASN 81 Cb 0.05 0.53 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 1sii n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sii n GLY 82 N 1.45 0.09 3.31 7.41 0.00 0.00 -5.03 105.19 112.41 1sii n GLY 82 Ca 0.07 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 1sii n GLY 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sii s THR 83 N -2.68 1.69 -0.32 2.61 -4.23 -0.99 -4.96 115.64 106.75 1sii s THR 83 Ca 0.08 -1.85 -0.25 0.00 -1.18 0.00 0.00 61.69 58.49 1sii s THR 83 Cb -0.04 -1.76 0.01 0.00 1.34 0.00 0.00 72.50 72.05 1sii s THR 83 CO 0.10 -0.33 0.85 -0.69 -0.54 0.00 0.00 174.62 174.02 1sii s VAL 84 N -2.04 4.71 -0.05 2.29 1.01 -1.26 -0.66 120.40 124.40 1sii s VAL 84 Ca 0.14 1.24 -0.25 0.00 0.00 0.00 0.00 61.98 63.10 1sii s VAL 84 Cb -0.06 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 1sii s VAL 84 CO 0.06 -0.35 1.10 0.40 0.00 0.00 0.00 175.10 176.30 1sii h ILE 85 N 5.67 1.52 -2.77 2.22 1.08 -1.29 -3.48 117.51 120.46 1sii h ILE 85 Ca -0.24 -1.70 -0.09 0.00 -0.39 0.00 0.00 64.86 62.45 1sii h ILE 85 Cb 1.09 2.58 -0.19 0.00 -3.07 0.00 0.00 36.82 37.24 1sii h ILE 85 CO 0.92 0.46 -0.10 -0.94 -0.69 0.00 0.00 178.15 177.81 1sii s SER 86 N -6.09 -0.34 -0.20 1.72 1.04 -1.06 -4.99 113.70 103.78 1sii s SER 86 Ca -0.16 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1sii s SER 86 Cb 0.01 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.63 1sii s SER 86 CO 0.71 -0.57 0.42 0.00 0.98 0.00 0.00 173.24 174.79 1sii s ALA 87 N -1.69 -1.15 -0.05 5.32 0.00 -1.26 -0.93 121.76 122.00 1sii s ALA 87 Ca -0.10 1.48 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1sii s ALA 87 Cb -0.02 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.77 1sii s ALA 87 CO 0.03 -0.78 -0.08 0.08 0.00 0.00 0.00 175.76 175.01 1sii s VAL 88 N 2.61 0.81 0.24 0.00 1.01 -0.42 -4.98 120.40 119.66 1sii s VAL 88 Ca -0.01 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1sii s VAL 88 Cb -0.12 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.41 1sii s VAL 88 CO -0.13 0.27 1.24 -1.61 0.00 0.00 0.00 175.10 174.87 1sii s GLU 89 N 0.61 4.46 -0.11 2.72 2.02 -1.26 -1.35 118.70 125.79 1sii s GLU 89 Ca -0.10 1.99 -0.06 0.00 0.02 0.00 0.00 54.97 56.81 1sii s GLU 89 Cb -0.13 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1sii s GLU 89 CO 0.02 -0.10 0.14 -0.51 0.02 0.00 0.00 175.26 174.83 1sii s LEU 90 N -0.75 4.37 -0.67 1.80 1.43 0.13 -4.93 118.68 120.06 1sii s LEU 90 Ca 0.52 0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 1sii s LEU 90 Cb -0.35 -2.12 0.17 0.00 0.03 0.00 0.00 46.19 43.92 1sii s LEU 90 CO 0.41 0.39 0.61 -0.62 0.23 0.00 0.00 176.35 177.38 1sii s ASP 91 N -1.12 6.42 0.50 2.29 -1.08 -1.26 -4.30 116.67 118.12 1sii s ASP 91 Ca 0.16 -2.21 0.19 0.00 -0.52 0.00 0.00 52.55 50.17 1sii s ASP 91 Cb -0.12 -2.20 1.27 0.00 -1.46 0.00 0.00 42.92 40.41 1sii s ASP 91 CO 0.06 -0.72 2.09 0.71 0.52 0.00 0.00 175.17 177.83 1sii h THR 92 N 5.39 0.93 -0.15 1.71 1.35 -1.92 -1.34 112.91 118.88 1sii h THR 92 Ca -0.11 -0.31 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1sii h THR 92 Cb 1.07 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 1sii h THR 92 CO 0.90 0.08 -0.02 0.00 -0.25 0.00 0.00 175.52 176.24 1sii h ALA 93 N 1.91 1.70 0.00 6.62 0.00 -1.86 -0.86 119.26 126.78 1sii h ALA 93 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1sii h ALA 93 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1sii h ALA 93 CO 0.01 0.23 -0.47 0.00 0.00 0.00 0.00 179.25 179.01 1sii h ALA 94 N 1.78 0.05 0.00 0.00 0.00 -1.70 -3.43 119.26 115.96 1sii h ALA 94 Ca 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1sii h ALA 94 Cb 0.18 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1sii h ALA 94 CO 0.01 0.36 -1.05 0.25 0.00 0.00 0.00 179.25 178.82 1sii n THR 95 N -4.62 0.02 0.00 0.00 -2.24 -0.61 -4.90 114.28 101.92 1sii n THR 95 Ca -0.11 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1sii n THR 95 Cb 0.30 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 1sii n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sii n GLY 96 N 1.46 3.29 3.84 3.38 0.00 -0.33 -4.44 105.19 112.39 1sii n GLY 96 Ca 0.03 -1.79 -0.32 0.00 0.00 0.00 0.00 46.02 43.94 1sii n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sii s GLU 97 N -3.81 3.65 0.82 1.61 0.41 -0.45 -4.36 118.70 116.58 1sii s GLU 97 Ca 0.00 0.97 -0.11 0.00 -0.41 0.00 0.00 54.97 55.43 1sii s GLU 97 Cb 0.00 -2.09 0.08 0.00 -1.78 0.00 0.00 34.13 30.35 1sii s GLU 97 CO 0.00 -0.52 1.10 -0.51 -0.49 0.00 0.00 175.26 174.84 1sii s LEU 98 N -4.51 2.91 0.63 1.80 1.02 -1.26 -3.94 118.68 115.32 1sii s LEU 98 Ca 0.59 1.87 -0.17 0.00 0.02 0.00 0.00 54.13 56.44 1sii s LEU 98 Cb -0.12 -4.47 -0.05 0.00 0.02 0.00 0.00 46.19 41.57 1sii s LEU 98 CO 0.39 -2.33 0.75 -2.65 0.02 0.00 0.00 176.35 172.53 1sii n PRO 99 N -3.72 0.62 -1.73 1.29 -0.02 -1.26 -4.76 135.00 125.42 1sii n PRO 99 Ca 0.09 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1sii n PRO 99 Cb 0.53 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1sii n PRO 99 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sii n VAL 100 N -1.94 0.87 -3.28 -1.45 0.31 -0.07 -4.96 118.33 107.80 1sii n VAL 100 Ca 0.13 -0.22 -0.36 0.00 -0.01 0.00 0.00 64.34 63.88 1sii n VAL 100 Cb 0.48 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 1sii n VAL 100 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sii s LEU 101 N -0.16 4.37 0.31 7.52 1.43 -1.26 -4.83 118.68 126.06 1sii s LEU 101 Ca 0.66 1.19 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1sii s LEU 101 Cb -0.53 -3.28 0.55 0.00 0.03 0.00 0.00 46.19 42.96 1sii s LEU 101 CO 0.47 0.11 1.94 -0.08 0.23 0.00 0.00 176.35 179.02 1sii h GLU 102 N 3.68 0.97 0.00 1.70 4.81 -1.94 -1.14 114.58 122.66 1sii h GLU 102 Ca -0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1sii h GLU 102 Cb 1.20 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.36 1sii h GLU 102 CO 0.65 0.64 0.00 1.05 -0.73 0.00 0.00 179.01 180.62 1sii h GLU 103 N 1.00 0.00 0.00 1.92 4.11 -2.02 -2.08 114.58 117.51 1sii h GLU 103 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1sii h GLU 103 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1sii h GLU 103 CO -0.11 0.00 -0.15 0.93 0.07 0.00 0.00 179.01 179.75 1sii h GLU 104 N 0.00 0.00 -0.92 1.06 5.08 -1.60 -3.37 114.58 114.83 1sii h GLU 104 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1sii h GLU 104 Cb 0.20 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.37 1sii h GLU 104 CO 0.00 0.00 0.56 0.74 -1.00 0.00 0.00 179.01 179.31 1sii h PHE 105 N 0.00 1.01 0.00 4.33 0.04 -1.45 -2.07 116.94 118.80 1sii h PHE 105 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1sii h PHE 105 Cb 0.78 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1sii h PHE 105 CO 0.00 0.41 -0.11 1.05 -0.60 0.00 0.00 178.31 179.06 1sii h GLU 106 N 0.91 0.00 -0.17 1.51 4.11 -1.78 -3.36 114.58 115.80 1sii h GLU 106 Ca 0.45 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.76 1sii h GLU 106 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1sii h GLU 106 CO -0.25 0.00 -0.38 0.28 0.07 0.00 0.00 179.01 178.73 1sii h VAL 107 N 0.00 1.30 0.21 -1.06 2.07 -1.57 -2.49 116.25 114.71 1sii h VAL 107 Ca 0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1sii h VAL 107 Cb 0.92 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1sii h VAL 107 CO 0.00 0.46 -0.10 0.58 0.02 0.00 0.00 177.57 178.52 1sii h VAL 108 N 0.31 0.85 -0.26 2.57 2.07 -1.71 -0.68 116.25 119.41 1sii h VAL 108 Ca 0.03 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1sii h VAL 108 Cb 0.82 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1sii h VAL 108 CO 0.07 0.08 0.15 -0.08 0.02 0.00 0.00 177.57 177.80 1sii h GLU 109 N -0.46 0.30 -0.60 1.57 4.81 -1.78 -1.96 114.58 116.46 1sii h GLU 109 Ca -0.03 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.27 1sii h GLU 109 Cb 0.35 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.59 1sii h GLU 109 CO 0.05 0.20 0.24 1.96 -0.73 0.00 0.00 179.01 180.73 1sii h GLN 110 N 0.31 0.42 -0.22 1.92 4.20 -1.28 -1.58 115.11 118.88 1sii h GLN 110 Ca 0.10 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1sii h GLN 110 Cb -0.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.68 1sii h GLN 110 CO -0.05 0.28 -0.33 -0.07 -0.67 0.00 0.00 178.83 177.99 1sii h LEU 111 N 0.43 0.68 -1.71 1.46 3.38 -0.99 -3.19 115.31 115.38 1sii h LEU 111 Ca 0.30 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 1sii h LEU 111 Cb 0.35 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1sii h LEU 111 CO -0.28 1.06 -0.18 -0.07 0.09 0.00 0.00 178.44 179.06 1sii h LEU 112 N 0.32 0.00 -2.43 1.67 3.38 -1.09 -3.01 115.31 114.14 1sii h LEU 112 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sii h LEU 112 Cb 0.92 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1sii h LEU 112 CO 0.08 0.18 -0.03 0.00 0.09 0.00 0.00 178.44 178.76 1sii h ALA 113 N 1.82 1.24 -0.09 1.53 0.00 -1.27 -2.03 119.26 120.46 1sii h ALA 113 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sii h ALA 113 Cb 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sii h ALA 113 CO 0.02 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.56 1sii n THR 114 N -3.47 1.47 -3.17 0.00 -2.24 -1.14 -4.92 114.28 100.82 1sii n THR 114 Ca -0.02 -1.53 -0.39 0.00 -2.27 0.00 0.00 64.05 59.83 1sii n THR 114 Cb 0.13 0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 1sii n THR 114 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sii s ASP 115 N -1.74 6.73 0.35 3.42 2.15 -0.76 -4.97 116.67 121.85 1sii s ASP 115 Ca 0.20 0.88 0.09 0.00 0.43 0.00 0.00 52.55 54.15 1sii s ASP 115 Cb 0.16 -2.34 0.67 0.00 -0.30 0.00 0.00 42.92 41.11 1sii s ASP 115 CO 0.05 -0.17 1.84 -0.33 -0.17 0.00 0.00 175.17 176.39 1sii h GLU 116 N 7.15 0.23 -0.33 4.34 5.08 -1.94 -0.49 114.58 128.62 1sii h GLU 116 Ca -0.36 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1sii h GLU 116 Cb 1.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1sii h GLU 116 CO 0.76 0.46 -0.09 0.00 -1.00 0.00 0.00 179.01 179.15 1sii h ARG 117 N 0.21 0.64 -0.20 2.33 3.08 -1.95 -1.51 114.38 116.99 1sii h ARG 117 Ca 0.04 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1sii h ARG 117 Cb 0.53 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1sii h ARG 117 CO 0.04 0.82 0.10 2.35 -1.07 0.00 0.00 179.97 182.20 1sii h TRP 118 N 0.42 0.28 -0.52 3.04 2.91 -1.74 -2.03 115.95 118.32 1sii h TRP 118 Ca 0.08 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 1sii h TRP 118 Cb 0.58 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 1sii h TRP 118 CO 0.05 0.29 0.24 -0.07 -1.03 0.00 0.00 178.44 177.92 1sii h LEU 119 N 0.19 0.66 -0.43 0.65 3.38 -1.09 -1.30 115.31 117.36 1sii h LEU 119 Ca 0.07 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1sii h LEU 119 Cb 0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sii h LEU 119 CO -0.01 0.57 0.03 0.50 0.09 0.00 0.00 178.44 179.62 1sii h LYS 120 N 0.73 0.75 -0.77 1.13 3.64 -1.08 -0.16 116.57 120.80 1sii h LYS 120 Ca 0.18 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1sii h LYS 120 Cb 0.10 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1sii h LYS 120 CO -0.02 0.80 0.51 0.00 -2.27 0.00 0.00 179.45 178.47 1sii h ALA 121 N 0.92 0.98 -0.38 5.00 0.00 -0.92 -1.14 119.26 123.72 1sii h ALA 121 Ca 0.13 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1sii h ALA 121 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sii h ALA 121 CO 0.02 0.40 -0.39 -0.07 0.00 0.00 0.00 179.25 179.20 1sii h LEU 122 N 1.05 1.00 -1.06 0.00 3.38 -1.03 -2.93 115.31 115.72 1sii h LEU 122 Ca 0.28 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1sii h LEU 122 Cb -0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.32 1sii h LEU 122 CO -0.06 1.26 0.38 0.00 0.09 0.00 0.00 178.44 180.11 1sii h ALA 123 N 0.78 1.27 0.00 1.53 0.00 -0.87 -1.28 119.26 120.70 1sii h ALA 123 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1sii h ALA 123 Cb 0.99 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1sii h ALA 123 CO 0.10 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.89 1sii h ALA 124 N 1.38 1.57 -0.28 0.00 0.00 -1.02 -1.91 119.26 118.99 1sii h ALA 124 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1sii h ALA 124 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sii h ALA 124 CO -0.04 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1sii n ARG 125 N -3.95 2.15 -3.67 0.00 1.74 -0.65 -4.98 116.66 107.31 1sii n ARG 125 Ca -0.03 -2.00 -0.25 0.00 -0.77 0.00 0.00 57.85 54.81 1sii n ARG 125 Cb 0.11 -1.41 0.06 0.00 -1.02 0.00 0.00 32.46 30.21 1sii n ARG 125 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1sii n ASN 126 N 1.16 -5.22 -4.59 0.55 3.02 -0.63 -4.99 115.26 104.57 1sii n ASN 126 Ca 0.15 -0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 53.73 1sii n ASN 126 Cb 0.51 -4.69 -0.11 0.00 -0.61 0.00 0.00 39.78 34.89 1sii n ASN 126 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sii s LEU 127 N -7.17 3.54 -0.15 3.41 1.43 -0.58 -5.02 118.68 114.14 1sii s LEU 127 Ca 0.51 0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 1sii s LEU 127 Cb -0.24 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1sii s LEU 127 CO 0.76 0.21 1.42 -0.62 0.23 0.00 0.00 176.35 178.35 1sii s ASP 128 N 0.13 6.78 0.49 2.29 -1.08 -1.26 -4.45 116.67 119.57 1sii s ASP 128 Ca 0.02 1.81 0.22 0.00 -0.52 0.00 0.00 52.55 54.08 1sii s ASP 128 Cb -0.13 -2.54 1.26 0.00 -1.46 0.00 0.00 42.92 40.06 1sii s ASP 128 CO 0.02 -0.89 1.95 1.62 0.52 0.00 0.00 175.17 178.39 1sii h VAL 129 N 5.62 0.74 0.00 1.11 3.04 -1.95 0.02 116.25 124.82 1sii h VAL 129 Ca -0.31 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1sii h VAL 129 Cb 1.13 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1sii h VAL 129 CO 0.97 0.03 0.00 0.77 -1.01 0.00 0.00 177.57 178.33 1sii h SER 130 N 0.17 0.00 -0.21 3.17 4.64 -1.99 -2.48 113.55 116.85 1sii h SER 130 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1sii h SER 130 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1sii h SER 130 CO -0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.20 1sii n LYS 131 N -2.99 1.93 -3.46 4.77 5.02 -0.01 -4.91 118.16 118.50 1sii n LYS 131 Ca -0.01 -1.84 -0.43 0.00 -2.02 0.00 0.00 58.31 54.01 1sii n LYS 131 Cb 0.20 -1.36 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 1sii n LYS 131 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sii s VAL 132 N -1.28 5.11 0.35 -0.18 1.01 -0.94 -0.71 120.40 123.76 1sii s VAL 132 Ca 0.26 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 1sii s VAL 132 Cb 0.16 -3.93 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 1sii s VAL 132 CO 0.23 -0.41 0.95 -0.13 0.00 0.00 0.00 175.10 175.74 1sii s ARG 133 N 1.64 4.48 -0.15 2.72 1.81 0.24 -4.90 118.95 124.79 1sii s ARG 133 Ca 0.04 1.27 0.00 0.00 -1.72 0.00 0.00 55.73 55.32 1sii s ARG 133 Cb -0.21 -2.62 0.03 0.00 -0.45 0.00 0.00 34.95 31.70 1sii s ARG 133 CO 0.08 0.19 -0.12 0.08 -0.68 0.00 0.00 175.30 174.85 1sii s VAL 134 N -1.78 1.48 0.13 3.52 1.01 -1.26 -0.96 120.40 122.53 1sii s VAL 134 Ca 0.54 -0.66 -0.31 0.00 0.00 0.00 0.00 61.98 61.55 1sii s VAL 134 Cb -0.16 -1.45 -0.08 0.00 0.00 0.00 0.00 36.38 34.69 1sii s VAL 134 CO 0.21 0.36 1.40 0.00 0.00 0.00 0.00 175.10 177.06 1sii s ALA 135 N 1.51 3.60 -0.72 5.51 0.00 -0.14 -4.51 121.76 127.01 1sii s ALA 135 Ca 0.03 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 1sii s ALA 135 Cb -0.14 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.53 1sii s ALA 135 CO -0.10 -0.62 1.00 -1.25 0.00 0.00 0.00 175.76 174.79 1sii s PRO 136 N 0.98 3.21 -0.09 0.00 0.04 -1.26 -3.25 135.00 134.64 1sii s PRO 136 Ca 0.64 -1.03 -0.00 0.00 0.04 0.00 0.00 61.00 60.65 1sii s PRO 136 Cb -0.37 -4.39 -0.03 0.00 0.04 0.00 0.00 34.50 29.75 1sii s PRO 136 CO 0.31 -1.81 -0.06 -0.51 0.04 0.00 0.00 177.00 174.97 1sii s LEU 137 N 3.79 3.20 0.59 -3.56 1.43 0.03 -4.94 118.68 119.22 1sii s LEU 137 Ca 0.24 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.10 1sii s LEU 137 Cb -0.14 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1sii s LEU 137 CO 0.06 0.32 1.34 -0.94 0.23 0.00 0.00 176.35 177.35 1sii s SER 138 N -0.54 4.97 -0.08 2.29 1.04 -1.26 -0.97 113.70 119.15 1sii s SER 138 Ca 0.08 2.72 0.12 0.00 0.48 0.00 0.00 55.95 59.35 1sii s SER 138 Cb -0.12 -2.63 -0.23 0.00 0.10 0.00 0.00 66.02 63.14 1sii s SER 138 CO 0.02 -1.77 0.53 0.00 0.98 0.00 0.00 173.24 173.01 1sii n ALA 139 N -1.41 1.46 -0.68 5.32 0.00 -1.26 -4.64 120.51 119.30 1sii n ALA 139 Ca 0.13 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1sii n ALA 139 Cb 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.19 1sii n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sii n GLY 140 N 1.62 0.25 2.75 0.00 0.00 -1.26 -4.76 105.19 103.79 1sii n GLY 140 Ca -0.21 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 1sii n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sii s VAL 141 N 0.00 0.53 0.00 1.61 1.01 -1.26 -4.48 120.40 117.82 1sii s VAL 141 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1sii s VAL 141 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1sii s VAL 141 CO 0.00 -0.09 0.00 0.49 0.00 0.00 0.00 175.10 175.50 1sii n PHE 142 N 5.06 0.00 0.73 5.22 3.72 -1.26 -4.86 117.46 126.07 1sii n PHE 142 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 1sii n PHE 142 Cb 0.48 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.24 1sii n PHE 142 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1sii n GLU 143 N 0.00 2.30 -2.98 -1.08 0.00 -1.26 -4.83 120.64 112.79 1sii n GLU 143 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 57.16 54.79 1sii n GLU 143 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 31.44 29.93 1sii n GLU 143 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1sii s TYR 144 N -1.72 3.06 0.46 -1.84 2.02 -1.26 -4.90 117.35 113.16 1sii s TYR 144 Ca 0.35 -1.19 0.14 0.00 -0.37 0.00 0.00 57.07 56.00 1sii s TYR 144 Cb 0.21 -4.20 1.08 0.00 -0.40 0.00 0.00 41.96 38.65 1sii s TYR 144 CO 0.31 -1.45 2.03 0.00 -1.57 0.00 0.00 175.55 174.87 1sii h ALA 145 N 8.96 2.00 0.00 3.71 0.00 -2.00 -1.94 119.26 129.99 1sii h ALA 145 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sii h ALA 145 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1sii h ALA 145 CO 1.09 -0.08 0.00 1.05 0.00 0.00 0.00 179.25 181.31 1sii h GLU 146 N 0.32 0.00 0.00 0.00 9.09 -2.01 -2.70 114.58 119.29 1sii h GLU 146 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 1sii h GLU 146 Cb 0.35 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.45 1sii h GLU 146 CO -0.04 0.00 0.00 0.93 0.05 0.00 0.00 179.01 179.95 1sii h GLU 147 N 0.00 0.00 -6.24 1.06 5.08 -1.72 -3.43 114.58 109.32 1sii h GLU 147 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1sii h GLU 147 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1sii h GLU 147 CO 0.00 0.00 0.97 1.03 -1.00 0.00 0.00 179.01 180.01 1sii s ARG 148 N -3.17 4.22 0.00 2.33 0.52 -1.02 -1.31 118.95 120.52 1sii s ARG 148 Ca 0.09 1.96 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1sii s ARG 148 Cb 0.09 -3.82 0.00 0.00 0.52 0.00 0.00 34.95 31.74 1sii s ARG 148 CO 0.62 -0.74 0.00 0.41 0.02 0.00 0.00 175.30 175.61 1sii n GLY 149 N 3.85 1.44 3.72 -3.53 0.00 -1.26 -4.92 105.19 104.48 1sii n GLY 149 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1sii n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sii s ARG 150 N -0.45 2.94 -0.60 1.61 1.81 -0.43 -4.77 118.95 119.06 1sii s ARG 150 Ca 0.00 -0.51 -0.26 0.00 -1.72 0.00 0.00 55.73 53.23 1sii s ARG 150 Cb 0.00 -2.77 0.04 0.00 -0.45 0.00 0.00 34.95 31.76 1sii s ARG 150 CO 0.00 0.65 1.11 1.03 -0.68 0.00 0.00 175.30 177.41 1sii s ARG 151 N -1.45 3.38 -0.08 3.54 0.52 -1.26 -4.97 118.95 118.63 1sii s ARG 151 Ca 0.19 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.36 1sii s ARG 151 Cb -0.12 -4.06 -0.03 0.00 0.52 0.00 0.00 34.95 31.26 1sii s ARG 151 CO 0.09 -1.69 -0.10 0.42 0.02 0.00 0.00 175.30 174.04 1sii s ILE 152 N 4.69 3.44 0.11 1.52 -1.09 -1.26 -1.67 121.20 126.95 1sii s ILE 152 Ca 0.36 -0.56 0.10 0.00 -2.23 0.00 0.00 60.65 58.32 1sii s ILE 152 Cb -0.10 -2.41 -0.04 0.00 -1.58 0.00 0.00 42.46 38.34 1sii s ILE 152 CO 0.21 0.57 -0.22 -0.76 -1.23 0.00 0.00 174.94 173.51 1sii s LEU 153 N -0.50 2.51 0.06 2.97 1.43 -0.34 -4.26 118.68 120.55 1sii s LEU 153 Ca 0.07 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1sii s LEU 153 Cb -0.12 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1sii s LEU 153 CO 0.02 0.19 0.13 -0.13 0.23 0.00 0.00 176.35 176.79 1sii s ARG 154 N -2.02 3.13 -0.11 1.70 0.52 -0.15 -0.83 118.95 121.19 1sii s ARG 154 Ca 0.16 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.83 1sii s ARG 154 Cb -0.10 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.51 1sii s ARG 154 CO 0.08 0.59 -0.19 0.20 0.02 0.00 0.00 175.30 176.00 1sii s GLY 155 N -2.39 1.17 -0.00 -3.53 0.00 0.63 -0.79 107.32 102.41 1sii s GLY 155 Ca 0.31 -0.85 0.06 0.00 0.00 0.00 0.00 44.72 44.24 1sii s GLY 155 CO 0.24 -0.02 -0.16 1.08 0.00 0.00 0.00 173.10 174.24 1sii s LEU 156 N 0.70 2.65 -0.00 0.66 1.43 -1.20 -2.25 118.68 120.68 1sii s LEU 156 Ca -0.12 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1sii s LEU 156 Cb -0.16 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1sii s LEU 156 CO 0.02 0.30 0.07 0.00 0.23 0.00 0.00 176.35 176.97 1sii s ALA 157 N -0.83 3.53 -0.02 4.21 0.00 -1.26 -0.96 121.76 126.42 1sii s ALA 157 Ca 0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1sii s ALA 157 Cb -0.11 -1.53 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1sii s ALA 157 CO 0.03 0.68 0.04 -0.06 0.00 0.00 0.00 175.76 176.46 1sii s PHE 158 N -1.17 -0.03 -0.03 0.00 0.40 -0.14 -1.23 117.98 115.78 1sii s PHE 158 Ca 0.22 0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 56.50 1sii s PHE 158 Cb -0.12 -0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.28 1sii s PHE 158 CO 0.13 -0.06 0.56 0.08 0.70 0.00 0.00 175.22 176.63 1sii s VAL 159 N 0.49 4.99 -0.31 -0.44 1.01 -0.47 -0.59 120.40 125.09 1sii s VAL 159 Ca -0.04 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.09 1sii s VAL 159 Cb -0.06 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.50 1sii s VAL 159 CO -0.02 0.41 0.00 -1.58 0.00 0.00 0.00 175.10 173.91 1sii s GLN 160 N -0.05 2.26 0.35 2.72 0.74 0.11 -4.35 119.66 121.44 1sii s GLN 160 Ca 0.29 -1.40 0.13 0.00 0.05 0.00 0.00 55.36 54.44 1sii s GLN 160 Cb -0.17 -3.16 0.64 0.00 1.10 0.00 0.00 33.01 31.41 1sii s GLN 160 CO 0.15 -0.68 1.76 -0.44 -0.55 0.00 0.00 175.29 175.53 1sii h ASP 161 N 7.92 0.00 -5.09 6.67 3.32 -1.89 -3.44 116.42 123.91 1sii h ASP 161 Ca -0.18 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1sii h ASP 161 Cb 1.05 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 1sii h ASP 161 CO 0.53 0.43 0.07 0.72 -1.72 0.00 0.00 179.24 179.27 1sii s PHE 162 N -3.96 -0.05 0.43 4.55 -0.71 -1.26 -5.04 117.98 111.93 1sii s PHE 162 Ca -0.02 -0.32 0.17 0.00 -1.04 0.00 0.00 56.93 55.72 1sii s PHE 162 Cb 0.13 0.45 1.08 0.00 -1.21 0.00 0.00 43.02 43.48 1sii s PHE 162 CO 0.73 -1.03 1.90 -1.35 -1.34 0.00 0.00 175.22 174.13 1sii h PRO 163 N 2.14 0.38 -0.56 1.99 0.11 -2.02 -1.14 132.00 132.89 1sii h PRO 163 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1sii h PRO 163 Cb 1.26 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sii h PRO 163 CO 0.32 0.25 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 1sii n GLU 164 N -4.48 2.38 -2.84 1.05 1.02 -1.26 -4.97 120.64 111.55 1sii n GLU 164 Ca 0.16 -2.14 -0.34 0.00 -0.02 0.00 0.00 57.16 54.81 1sii n GLU 164 Cb 0.59 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.47 1sii n GLU 164 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1sii s ASP 165 N -1.09 7.07 -0.51 1.62 2.15 -0.43 -5.01 116.67 120.46 1sii s ASP 165 Ca 0.40 1.70 -0.22 0.00 0.43 0.00 0.00 52.55 54.86 1sii s ASP 165 Cb 0.21 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.33 1sii s ASP 165 CO 0.28 -0.24 0.78 -0.55 -0.17 0.00 0.00 175.17 175.28 1sii s SER 166 N -1.98 6.32 0.51 -0.34 0.15 -1.26 -4.86 113.70 112.24 1sii s SER 166 Ca 0.57 -0.47 0.30 0.00 0.70 0.00 0.00 55.95 57.05 1sii s SER 166 Cb -0.13 -2.37 1.22 0.00 -1.71 0.00 0.00 66.02 63.04 1sii s SER 166 CO 0.17 -1.02 1.94 0.00 1.20 0.00 0.00 173.24 175.53 1sii h ALA 167 N 9.11 1.02 0.00 5.45 0.00 -1.94 -2.75 119.26 130.15 1sii h ALA 167 Ca -0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1sii h ALA 167 Cb 1.08 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1sii h ALA 167 CO 1.01 0.10 -0.01 -1.49 0.00 0.00 0.00 179.25 178.86 1sii h TRP 168 N 0.00 0.00 0.00 0.00 4.06 -1.91 0.34 115.95 118.44 1sii h TRP 168 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1sii h TRP 168 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1sii h TRP 168 CO 0.00 0.01 0.00 0.00 -3.56 0.00 0.00 178.44 174.89 1sii h ALA 169 N 1.99 1.00 -2.05 1.49 0.00 -1.82 -3.36 119.26 116.52 1sii h ALA 169 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1sii h ALA 169 Cb 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.40 1sii h ALA 169 CO 0.00 0.00 -0.89 0.72 0.00 0.00 0.00 179.25 179.08 1sii n HIS 170 N -2.53 2.38 -2.05 0.00 8.25 0.11 -4.49 115.22 116.90 1sii n HIS 170 Ca 0.01 -3.80 -0.38 0.00 -0.26 0.00 0.00 57.72 53.29 1sii n HIS 170 Cb 0.22 -0.43 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1sii n HIS 170 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1sii s PRO 171 N -3.07 3.68 -0.62 -0.41 0.04 -1.26 -1.36 135.00 132.01 1sii s PRO 171 Ca 0.44 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.44 1sii s PRO 171 Cb 0.33 -2.51 0.16 0.00 0.04 0.00 0.00 34.50 32.51 1sii s PRO 171 CO -0.11 -0.70 0.51 0.08 0.04 0.00 0.00 177.00 176.82 1sii s VAL 172 N -1.36 4.65 0.51 -0.36 1.01 -0.36 -4.34 120.40 120.14 1sii s VAL 172 Ca 0.63 -2.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 1sii s VAL 172 Cb -0.36 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1sii s VAL 172 CO 0.44 -0.88 0.84 -0.62 0.00 0.00 0.00 175.10 174.87 1sii s ASP 173 N 2.24 6.28 0.00 3.32 -1.08 -1.26 -4.10 116.67 122.07 1sii s ASP 173 Ca 0.11 1.05 0.00 0.00 -0.52 0.00 0.00 52.55 53.20 1sii s ASP 173 Cb -0.21 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1sii s ASP 173 CO -0.03 -0.63 0.00 0.61 0.52 0.00 0.00 175.17 175.64 1sii n GLY 174 N -2.29 0.72 2.78 2.66 0.00 -1.26 -4.11 105.19 103.69 1sii n GLY 174 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1sii n GLY 174 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sii s LEU 175 N 0.00 1.16 -0.06 0.99 2.96 -1.26 -0.53 118.68 121.94 1sii s LEU 175 Ca 0.00 0.03 -0.14 0.00 -0.22 0.00 0.00 54.13 53.81 1sii s LEU 175 Cb 0.00 -0.07 0.03 0.00 0.50 0.00 0.00 46.19 46.65 1sii s LEU 175 CO 0.00 -0.12 0.33 0.54 -1.32 0.00 0.00 176.35 175.78 1sii s VAL 176 N 0.97 0.03 0.13 1.68 0.11 -0.45 -4.64 120.40 118.23 1sii s VAL 176 Ca -0.08 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 1sii s VAL 176 Cb -0.12 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 1sii s VAL 176 CO -0.03 -0.15 -0.18 0.00 -3.33 0.00 0.00 175.10 171.42 1sii s ALA 177 N -0.67 1.76 -0.06 1.54 0.00 -0.95 -0.30 121.76 123.08 1sii s ALA 177 Ca -0.08 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.61 1sii s ALA 177 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1sii s ALA 177 CO 0.03 0.25 -0.22 0.71 0.00 0.00 0.00 175.76 176.52 1sii s TYR 178 N -1.69 2.51 -0.02 0.00 2.02 0.15 -0.27 117.35 120.05 1sii s TYR 178 Ca 0.10 -0.58 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1sii s TYR 178 Cb -0.07 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1sii s TYR 178 CO 0.05 -0.12 -0.05 0.08 -1.57 0.00 0.00 175.55 173.93 1sii s VAL 179 N -0.27 0.49 -0.48 0.71 1.01 -0.01 -0.84 120.40 121.00 1sii s VAL 179 Ca 0.00 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.57 1sii s VAL 179 Cb -0.13 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.84 1sii s VAL 179 CO 0.03 0.16 0.67 -0.62 0.00 0.00 0.00 175.10 175.34 1sii s ASP 180 N 0.20 6.28 0.00 3.32 -1.08 0.86 -1.20 116.67 125.04 1sii s ASP 180 Ca -0.02 -0.61 0.29 0.00 -0.52 0.00 0.00 52.55 51.69 1sii s ASP 180 Cb -0.06 -2.32 1.44 0.00 -1.46 0.00 0.00 42.92 40.52 1sii s ASP 180 CO -0.00 -0.89 1.99 1.33 0.52 0.00 0.00 175.17 178.13 1sii n VAL 181 N 5.78 0.05 -0.11 1.11 0.24 -0.67 -1.24 118.33 123.50 1sii n VAL 181 Ca -0.04 0.01 -0.20 0.00 -2.04 0.00 0.00 64.34 62.08 1sii n VAL 181 Cb 0.47 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.22 1sii n VAL 181 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1sii n VAL 182 N -1.30 1.51 0.65 3.34 0.31 -1.26 -4.33 118.33 117.25 1sii n VAL 182 Ca 0.13 -0.09 0.11 0.00 -0.01 0.00 0.00 64.34 64.49 1sii n VAL 182 Cb 0.24 -2.10 0.46 0.00 -0.91 0.00 0.00 33.84 31.53 1sii n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1sii n SER 183 N -4.40 0.30 -3.16 4.52 3.41 -1.25 -4.92 113.62 108.12 1sii n SER 183 Ca -0.33 0.55 -0.15 0.00 -0.26 0.00 0.00 58.87 58.68 1sii n SER 183 Cb 0.66 -0.62 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1sii n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sii n LYS 184 N -1.80 -5.34 -4.49 4.33 4.76 -0.37 -5.03 118.16 110.21 1sii n LYS 184 Ca 0.05 0.76 -0.26 0.00 -2.87 0.00 0.00 58.31 55.99 1sii n LYS 184 Cb 0.28 -5.50 -0.13 0.00 -1.84 0.00 0.00 35.03 27.84 1sii n LYS 184 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1sii s GLU 185 N -5.07 1.34 -0.40 1.97 2.02 -0.88 -5.00 118.70 112.68 1sii s GLU 185 Ca 0.06 -1.13 -0.22 0.00 0.02 0.00 0.00 54.97 53.71 1sii s GLU 185 Cb -0.01 -1.60 0.01 0.00 0.10 0.00 0.00 34.13 32.64 1sii s GLU 185 CO 0.66 0.39 0.71 0.08 0.02 0.00 0.00 175.26 177.12 1sii s VAL 186 N -0.99 4.78 0.06 2.63 1.01 -1.26 -0.10 120.40 126.52 1sii s VAL 186 Ca 0.09 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1sii s VAL 186 Cb -0.10 -4.20 -0.30 0.00 0.00 0.00 0.00 36.38 31.79 1sii s VAL 186 CO 0.04 -0.50 1.07 0.71 0.00 0.00 0.00 175.10 176.42 1sii h THR 187 N 5.81 1.41 -2.70 3.92 1.35 -1.34 -3.48 112.91 117.88 1sii h THR 187 Ca -0.25 -2.96 -0.11 0.00 -0.55 0.00 0.00 66.41 62.54 1sii h THR 187 Cb 1.10 2.94 -0.22 0.00 -1.73 0.00 0.00 68.15 70.23 1sii h THR 187 CO 0.90 0.87 -0.18 -0.60 -0.25 0.00 0.00 175.52 176.25 1sii s ARG 188 N -2.64 0.61 -0.13 4.72 3.52 -1.13 -4.99 118.95 118.91 1sii s ARG 188 Ca -0.06 0.37 -0.00 0.00 -0.13 0.00 0.00 55.73 55.91 1sii s ARG 188 Cb 0.06 0.29 0.03 0.00 -1.56 0.00 0.00 34.95 33.77 1sii s ARG 188 CO 0.89 -0.12 -0.08 0.08 -0.81 0.00 0.00 175.30 175.26 1sii s VAL 189 N -0.30 1.15 -0.21 7.11 1.01 -1.26 -0.68 120.40 127.22 1sii s VAL 189 Ca -0.05 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1sii s VAL 189 Cb -0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1sii s VAL 189 CO 0.02 0.32 -0.03 -0.63 0.00 0.00 0.00 175.10 174.79 1sii s ILE 190 N 1.65 3.61 -0.28 2.22 1.01 0.59 -5.00 121.20 125.00 1sii s ILE 190 Ca 0.04 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1sii s ILE 190 Cb -0.13 -2.64 0.07 0.00 0.01 0.00 0.00 42.46 39.77 1sii s ILE 190 CO -0.09 0.42 -0.03 -0.62 0.00 0.00 0.00 174.94 174.63 1sii s ASP 191 N 1.27 4.31 0.00 3.58 -1.08 -1.26 -1.34 116.67 122.15 1sii s ASP 191 Ca 0.03 -1.56 0.27 0.00 -0.52 0.00 0.00 52.55 50.78 1sii s ASP 191 Cb -0.14 -1.39 0.97 0.00 -1.46 0.00 0.00 42.92 40.89 1sii s ASP 191 CO -0.00 -0.28 1.69 0.35 0.52 0.00 0.00 175.17 177.45 1sii n THR 192 N 4.50 0.04 0.00 1.71 -2.24 0.31 -5.01 114.28 113.58 1sii n THR 192 Ca -0.07 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1sii n THR 192 Cb 0.43 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1sii n THR 192 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sii n GLY 193 N 1.18 3.87 3.76 3.38 0.00 -1.25 -5.05 105.19 111.07 1sii n GLY 193 Ca 0.18 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.14 1sii n GLY 193 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sii s VAL 194 N -2.32 3.43 0.13 1.61 -7.23 -1.26 -4.37 120.40 110.38 1sii s VAL 194 Ca 0.00 1.42 0.11 0.00 -1.81 0.00 0.00 61.98 61.69 1sii s VAL 194 Cb 0.00 -3.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.01 1sii s VAL 194 CO 0.00 0.32 -0.26 -0.36 -0.31 0.00 0.00 175.10 174.48 1sii s PHE 195 N -1.19 2.32 0.30 2.82 0.40 -1.26 -5.02 117.98 116.35 1sii s PHE 195 Ca 0.46 -0.37 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 1sii s PHE 195 Cb -0.32 -1.26 -0.12 0.00 0.51 0.00 0.00 43.02 41.83 1sii s PHE 195 CO 0.41 0.34 1.50 -2.30 0.70 0.00 0.00 175.22 175.86 1sii n PRO 196 N 0.93 2.47 -2.81 0.24 -0.02 -1.26 -4.72 135.00 129.83 1sii n PRO 196 Ca -0.18 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.75 1sii n PRO 196 Cb 0.53 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1sii n PRO 196 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sii s VAL 197 N -0.32 4.79 0.32 -1.45 1.01 -1.26 -4.83 120.40 118.65 1sii s VAL 197 Ca 0.62 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 64.05 1sii s VAL 197 Cb -0.54 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 31.53 1sii s VAL 197 CO 0.53 -0.10 1.34 -2.65 0.00 0.00 0.00 175.10 174.22 1sii n PRO 198 N 6.04 2.17 -0.09 2.72 -0.02 -1.26 -4.92 135.00 139.63 1sii n PRO 198 Ca 0.08 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1sii n PRO 198 Cb 0.47 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 1sii n PRO 198 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sii n ALA 199 N 0.80 1.50 -1.80 3.55 0.00 -1.26 -4.40 120.51 118.89 1sii n ALA 199 Ca 0.06 -1.28 -0.41 0.00 0.00 0.00 0.00 53.44 51.81 1sii n ALA 199 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1sii n ALA 199 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sii s GLU 200 N -2.50 4.17 0.67 0.00 2.12 -1.26 -4.99 118.70 116.91 1sii s GLU 200 Ca -0.10 2.48 -0.12 0.00 0.36 0.00 0.00 54.97 57.58 1sii s GLU 200 Cb 0.06 -3.05 -0.00 0.00 0.26 0.00 0.00 34.13 31.39 1sii s GLU 200 CO 0.82 -0.56 1.06 -3.38 -0.54 0.00 0.00 175.26 172.67 1sii s HIS 201 N 0.00 3.04 -0.28 5.30 -3.43 -1.26 -4.79 115.29 113.88 1sii s HIS 201 Ca 0.62 1.46 0.10 0.00 -0.80 0.00 0.00 55.06 56.43 1sii s HIS 201 Cb -0.46 -2.93 0.46 0.00 -1.43 0.00 0.00 32.58 28.23 1sii s HIS 201 CO 0.46 -1.22 1.18 0.41 -2.00 0.00 0.00 174.74 173.57 1sii n GLY 202 N -1.62 5.65 3.45 -1.38 0.00 -1.26 -5.02 105.19 105.00 1sii n GLY 202 Ca 0.08 -2.36 -0.43 0.00 0.00 0.00 0.00 46.02 43.31 1sii n GLY 202 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sii s ASN 203 N -3.60 6.33 0.00 1.61 0.01 -1.26 -4.79 114.94 113.24 1sii s ASN 203 Ca 0.47 -1.36 0.23 0.00 -0.71 0.00 0.00 52.86 51.48 1sii s ASN 203 Cb 0.40 -2.41 1.25 0.00 0.41 0.00 0.00 41.25 40.89 1sii s ASN 203 CO 0.02 -1.31 1.75 0.00 -1.51 0.00 0.00 177.10 176.05 1sii n TYR 204 N 7.29 0.00 0.35 2.20 0.18 -1.26 -1.41 117.16 124.51 1sii n TYR 204 Ca 0.06 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.93 1sii n TYR 204 Cb 0.47 -0.16 0.15 0.00 -0.38 0.00 0.00 39.34 39.41 1sii n TYR 204 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1sii n THR 205 N -1.16 0.40 -2.73 -3.48 -2.24 -1.26 -4.79 114.28 99.01 1sii n THR 205 Ca 0.14 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 1sii n THR 205 Cb 0.14 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 1sii n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sii s ASP 206 N -1.34 7.02 0.56 3.42 -1.08 -0.50 -4.94 116.67 119.82 1sii s ASP 206 Ca 0.29 1.28 0.28 0.00 -0.52 0.00 0.00 52.55 53.88 1sii s ASP 206 Cb 0.18 -2.51 1.47 0.00 -1.46 0.00 0.00 42.92 40.60 1sii s ASP 206 CO 0.25 -0.62 1.94 -0.65 0.52 0.00 0.00 175.17 176.61 1sii h PRO 207 N 7.51 0.00 0.00 4.34 0.11 -1.88 -0.63 132.00 141.45 1sii h PRO 207 Ca -0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.87 1sii h PRO 207 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1sii h PRO 207 CO 0.95 0.00 -0.19 1.49 -0.21 0.00 0.00 178.00 180.03 1sii h GLU 208 N 0.00 0.00 0.06 1.05 4.81 -1.92 -0.29 114.58 118.29 1sii h GLU 208 Ca 0.26 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 59.12 1sii h GLU 208 Cb 1.19 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1sii h GLU 208 CO -0.00 0.19 -2.23 -0.11 -0.73 0.00 0.00 179.01 176.13 1sii n LEU 209 N -4.30 2.60 0.14 1.64 7.94 -0.31 -4.37 117.00 120.33 1sii n LEU 209 Ca -0.02 0.05 -0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1sii n LEU 209 Cb 0.26 -0.89 0.15 0.00 0.53 0.00 0.00 43.42 43.47 1sii n LEU 209 CO 0.36 0.86 0.48 0.71 -1.11 0.00 0.00 177.39 178.69 1sii h THR 210 N 0.03 1.32 -1.37 1.96 1.35 -1.40 -3.50 112.91 111.31 1sii h THR 210 Ca -0.50 -2.20 0.09 0.00 -0.55 0.00 0.00 66.41 63.26 1sii h THR 210 Cb 1.98 2.23 -0.02 0.00 -1.73 0.00 0.00 68.15 70.61 1sii h THR 210 CO 0.00 0.60 -0.12 0.61 -0.25 0.00 0.00 175.52 176.36 1sii n GLY 211 N 0.49 -1.74 3.72 5.82 0.00 -0.12 -4.79 105.19 108.57 1sii n GLY 211 Ca -0.01 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1sii n GLY 211 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sii n PRO 212 N -1.81 2.67 -2.21 1.61 -0.02 -1.26 -4.85 135.00 129.12 1sii n PRO 212 Ca 0.00 0.96 -0.40 0.00 -2.02 0.00 0.00 63.50 62.04 1sii n PRO 212 Cb 0.16 -2.78 -0.02 0.00 -0.02 0.00 0.00 33.50 30.84 1sii n PRO 212 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sii s LEU 213 N 0.66 4.40 0.29 2.45 1.43 -1.26 -4.95 118.68 121.71 1sii s LEU 213 Ca 0.72 2.55 -0.29 0.00 -1.03 0.00 0.00 54.13 56.08 1sii s LEU 213 Cb -0.53 -3.72 -0.13 0.00 0.03 0.00 0.00 46.19 41.84 1sii s LEU 213 CO 0.38 -0.50 1.20 0.54 0.23 0.00 0.00 176.35 178.20 1sii n ARG 214 N 0.71 1.77 -0.30 1.70 1.74 -1.26 -4.92 116.66 116.11 1sii n ARG 214 Ca 0.01 0.62 0.07 0.00 -0.77 0.00 0.00 57.85 57.78 1sii n ARG 214 Cb 0.43 -2.13 0.20 0.00 -1.02 0.00 0.00 32.46 29.94 1sii n ARG 214 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1sii n THR 215 N 0.63 1.77 0.67 0.55 -2.24 -1.26 -4.72 114.28 109.68 1sii n THR 215 Ca 0.08 -1.58 0.11 0.00 -2.27 0.00 0.00 64.05 60.39 1sii n THR 215 Cb 0.33 0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.62 1sii n THR 215 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sii n THR 216 N -0.27 0.12 -2.75 4.28 -2.24 -1.26 -4.84 114.28 107.31 1sii n THR 216 Ca 0.16 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 1sii n THR 216 Cb 0.68 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.20 1sii n THR 216 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1sii s GLN 217 N -3.15 3.54 0.40 -0.78 -0.21 -1.26 -5.02 119.66 113.17 1sii s GLN 217 Ca 0.05 0.18 -0.22 0.00 0.02 0.00 0.00 55.36 55.40 1sii s GLN 217 Cb 0.15 -3.95 -0.11 0.00 1.00 0.00 0.00 33.01 30.10 1sii s GLN 217 CO 0.80 -1.34 0.93 0.15 -2.12 0.00 0.00 175.29 173.71 1sii s LYS 218 N 4.05 4.29 0.55 2.91 1.02 -1.26 -5.03 119.74 126.27 1sii s LYS 218 Ca 0.39 1.13 -0.21 0.00 0.02 0.00 0.00 55.97 57.30 1sii s LYS 218 Cb -0.10 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.83 1sii s LYS 218 CO 0.26 0.06 1.31 -1.25 -0.92 0.00 0.00 175.35 174.81 1sii s PRO 219 N -2.91 3.13 -0.19 -1.68 0.04 -1.26 -5.03 135.00 127.10 1sii s PRO 219 Ca 0.59 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.73 1sii s PRO 219 Cb -0.11 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1sii s PRO 219 CO 0.16 -1.16 -0.16 0.42 0.04 0.00 0.00 177.00 176.30 1sii s ILE 220 N -1.38 2.44 -0.22 0.56 1.01 -1.26 -5.11 121.20 117.24 1sii s ILE 220 Ca 0.73 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 1sii s ILE 220 Cb -0.37 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1sii s ILE 220 CO 0.43 0.51 -0.01 -0.55 0.00 0.00 0.00 174.94 175.32 1sii s SER 221 N 1.31 4.61 -0.24 3.58 0.15 -1.26 -5.07 113.70 116.77 1sii s SER 221 Ca 0.04 -0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 1sii s SER 221 Cb -0.13 -1.80 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1sii s SER 221 CO -0.10 -0.00 -0.09 -0.63 1.20 0.00 0.00 173.24 173.63 1sii s ILE 222 N 1.38 2.64 0.14 6.45 1.01 -1.26 -5.10 121.20 126.46 1sii s ILE 222 Ca 0.05 -1.13 0.03 0.00 0.00 0.00 0.00 60.65 59.60 1sii s ILE 222 Cb -0.15 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1sii s ILE 222 CO -0.00 0.20 -0.08 0.42 0.00 0.00 0.00 174.94 175.48 1sii s THR 223 N 1.28 0.99 -0.36 2.92 -4.23 -1.26 -4.18 115.64 110.80 1sii s THR 223 Ca -0.01 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1sii s THR 223 Cb -0.17 -1.86 0.11 0.00 1.34 0.00 0.00 72.50 71.92 1sii s THR 223 CO -0.06 -0.73 0.14 -1.10 -0.54 0.00 0.00 174.62 172.33 1sii s GLN 224 N -3.79 1.00 0.58 3.99 -0.21 -1.26 -4.94 119.66 115.02 1sii s GLN 224 Ca 0.17 -1.49 0.35 0.00 0.02 0.00 0.00 55.36 54.41 1sii s GLN 224 Cb 0.04 -2.25 1.73 0.00 1.00 0.00 0.00 33.01 33.53 1sii s GLN 224 CO -0.00 -1.04 2.14 -1.00 -2.12 0.00 0.00 175.29 173.27 1sii h PRO 225 N 7.56 0.00 -0.60 2.91 0.13 -2.03 -0.69 132.00 139.27 1sii h PRO 225 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1sii h PRO 225 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1sii h PRO 225 CO 0.48 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.68 1sii n GLU 226 N -3.28 3.17 -0.04 0.86 1.02 -1.26 -5.10 120.64 116.02 1sii n GLU 226 Ca -0.01 -2.65 0.01 0.00 -0.02 0.00 0.00 57.16 54.48 1sii n GLU 226 Cb 0.21 -1.66 -0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1sii n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sii n GLY 227 N 1.10 -2.22 3.87 0.62 0.00 -0.27 -4.96 105.19 103.33 1sii n GLY 227 Ca 0.22 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1sii n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1sii s PRO 228 N -0.86 3.68 0.08 1.61 0.04 -1.26 -4.86 135.00 133.43 1sii s PRO 228 Ca 0.00 0.77 0.27 0.00 0.04 0.00 0.00 61.00 62.08 1sii s PRO 228 Cb 0.00 -2.11 0.90 0.00 0.04 0.00 0.00 34.50 33.33 1sii s PRO 228 CO 0.00 -0.49 1.74 0.43 0.04 0.00 0.00 177.00 178.72 1sii n SER 229 N -2.46 0.40 -4.90 6.66 7.64 -1.26 -4.82 113.62 114.88 1sii n SER 229 Ca 0.06 0.37 -0.30 0.00 1.01 0.00 0.00 58.87 60.02 1sii n SER 229 Cb 0.54 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.29 1sii n SER 229 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1sii s PHE 230 N -3.05 3.47 0.09 1.43 -0.12 -1.26 -4.67 117.98 113.86 1sii s PHE 230 Ca 0.12 0.62 0.06 0.00 -0.05 0.00 0.00 56.93 57.68 1sii s PHE 230 Cb 0.16 -2.07 -0.04 0.00 -0.63 0.00 0.00 43.02 40.44 1sii s PHE 230 CO 0.60 0.27 -0.08 0.95 -0.05 0.00 0.00 175.22 176.91 1sii s THR 231 N -1.92 3.52 -0.15 -4.49 -4.23 -0.47 -4.97 115.64 102.93 1sii s THR 231 Ca 0.43 -1.14 0.02 0.00 -1.18 0.00 0.00 61.69 59.82 1sii s THR 231 Cb -0.11 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1sii s THR 231 CO 0.27 0.16 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.61 1sii s VAL 232 N -1.20 2.05 0.13 2.29 1.01 -1.26 -1.86 120.40 121.58 1sii s VAL 232 Ca 0.21 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1sii s VAL 232 Cb -0.11 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1sii s VAL 232 CO 0.14 0.55 -0.12 0.42 0.00 0.00 0.00 175.10 176.08 1sii s THR 233 N 0.97 1.28 -1.98 3.92 -4.23 -0.35 -4.80 115.64 110.45 1sii s THR 233 Ca -0.03 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 1sii s THR 233 Cb -0.15 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1sii s THR 233 CO -0.05 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1sii n GLY 234 N 0.23 0.68 3.40 3.99 0.00 -1.26 -0.92 105.19 111.32 1sii n GLY 234 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1sii n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sii n GLY 235 N -0.74 1.78 0.29 -0.02 0.00 -1.26 -4.47 105.19 100.78 1sii n GLY 235 Ca -0.23 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1sii n GLY 235 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sii n ASN 236 N 1.48 0.00 -4.61 1.61 6.94 -1.11 -4.99 115.26 114.58 1sii n ASN 236 Ca 0.00 -1.26 -0.40 0.00 -0.02 0.00 0.00 54.58 52.90 1sii n ASN 236 Cb 0.00 -0.05 -0.08 0.00 -2.36 0.00 0.00 39.78 37.28 1sii n ASN 236 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1sii s HIS 237 N 0.00 3.25 -0.15 -2.53 2.46 -0.09 -1.04 115.29 117.19 1sii s HIS 237 Ca 0.00 0.49 -0.08 0.00 0.47 0.00 0.00 55.06 55.94 1sii s HIS 237 Cb 0.00 -2.65 -0.04 0.00 -0.13 0.00 0.00 32.58 29.76 1sii s HIS 237 CO 0.00 -0.27 0.12 0.42 -2.47 0.00 0.00 174.74 172.54 1sii s ILE 238 N 2.18 5.34 -0.10 0.89 -1.09 0.68 -1.22 121.20 127.88 1sii s ILE 238 Ca 0.18 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 1sii s ILE 238 Cb -0.16 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1sii s ILE 238 CO 0.10 0.55 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.65 1sii s GLU 239 N -0.49 1.73 -0.24 2.79 0.41 -0.78 -2.05 118.70 120.07 1sii s GLU 239 Ca 0.12 -0.37 -0.05 0.00 -0.41 0.00 0.00 54.97 54.26 1sii s GLU 239 Cb -0.12 -1.62 0.13 0.00 -1.78 0.00 0.00 34.13 30.74 1sii s GLU 239 CO 0.02 -0.15 0.47 -0.46 -0.49 0.00 0.00 175.26 174.64 1sii s TRP 240 N 1.29 -1.02 -1.34 1.61 -0.00 -0.43 -1.37 118.94 117.69 1sii s TRP 240 Ca -0.02 1.44 -0.09 0.00 -0.00 0.00 0.00 56.10 57.43 1sii s TRP 240 Cb -0.14 0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.66 1sii s TRP 240 CO -0.04 -0.65 0.49 0.39 -0.00 0.00 0.00 176.95 177.14 1sii n GLU 241 N 5.40 -2.22 0.00 5.86 -0.58 -1.26 -0.70 120.64 127.14 1sii n GLU 241 Ca -0.06 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1sii n GLU 241 Cb 0.50 -4.11 0.00 0.00 -0.57 0.00 0.00 31.44 27.26 1sii n GLU 241 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sii n LYS 242 N -4.44 0.00 -2.79 3.49 4.76 -1.26 -4.93 118.16 112.98 1sii n LYS 242 Ca -0.24 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 54.85 1sii n LYS 242 Cb 0.65 -0.83 -0.07 0.00 -1.84 0.00 0.00 35.03 32.94 1sii n LYS 242 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1sii s TRP 243 N -1.67 3.53 -0.00 2.13 0.52 0.12 0.13 118.94 123.70 1sii s TRP 243 Ca 0.00 1.71 0.01 0.00 0.02 0.00 0.00 56.10 57.84 1sii s TRP 243 Cb 0.00 -2.90 -0.00 0.00 -1.15 0.00 0.00 33.47 29.42 1sii s TRP 243 CO 0.00 0.07 -0.03 0.45 0.02 0.00 0.00 176.95 177.45 1sii s SER 244 N -1.85 0.40 0.14 2.95 0.15 -0.28 -1.31 113.70 113.90 1sii s SER 244 Ca 0.55 -0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.87 1sii s SER 244 Cb -0.15 -0.04 0.07 0.00 -1.71 0.00 0.00 66.02 64.19 1sii s SER 244 CO 0.19 0.03 0.94 -1.48 1.20 0.00 0.00 173.24 174.12 1sii s LEU 245 N -0.14 -0.20 -0.08 3.45 2.34 -0.87 -1.40 118.68 121.77 1sii s LEU 245 Ca 0.01 -0.36 0.05 0.00 0.06 0.00 0.00 54.13 53.88 1sii s LEU 245 Cb -0.02 2.17 -0.01 0.00 -0.56 0.00 0.00 46.19 47.77 1sii s LEU 245 CO -0.00 -0.89 -0.23 -1.81 -1.06 0.00 0.00 176.35 172.36 1sii s ASP 246 N -2.89 3.21 -0.50 1.48 1.01 -0.16 -0.23 116.67 118.59 1sii s ASP 246 Ca 0.11 -0.49 -0.16 0.00 0.71 0.00 0.00 52.55 52.72 1sii s ASP 246 Cb -0.01 -1.09 0.09 0.00 1.01 0.00 0.00 42.92 42.92 1sii s ASP 246 CO 0.01 0.22 0.46 -0.69 0.21 0.00 0.00 175.17 175.37 1sii s VAL 247 N 0.01 5.18 0.55 -1.27 1.01 -0.20 -0.68 120.40 125.00 1sii s VAL 247 Ca -0.08 -1.13 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 1sii s VAL 247 Cb -0.15 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1sii s VAL 247 CO 0.05 -0.70 0.82 -0.83 0.00 0.00 0.00 175.10 174.44 1sii s GLY 248 N 2.92 1.63 -0.05 4.51 0.00 0.94 -4.74 107.32 112.53 1sii s GLY 248 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 1sii s GLY 248 CO 0.06 -0.67 0.13 -0.12 0.00 0.00 0.00 173.10 172.50 1sii s PHE 249 N -2.84 -0.14 0.01 1.90 5.36 -1.26 -1.32 117.98 119.69 1sii s PHE 249 Ca 0.53 0.39 0.04 0.00 -0.96 0.00 0.00 56.93 56.93 1sii s PHE 249 Cb -0.10 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.53 1sii s PHE 249 CO 0.42 -0.12 -0.11 0.34 -1.46 0.00 0.00 175.22 174.29 1sii s ASP 250 N 0.70 1.31 0.44 6.13 2.15 0.19 -4.87 116.67 122.71 1sii s ASP 250 Ca -0.05 -0.28 0.17 0.00 0.43 0.00 0.00 52.55 52.82 1sii s ASP 250 Cb -0.07 -0.12 1.00 0.00 -0.30 0.00 0.00 42.92 43.43 1sii s ASP 250 CO -0.03 0.08 1.95 1.62 -0.17 0.00 0.00 175.17 178.62 1sii h VAL 251 N 4.77 1.03 0.00 1.11 3.04 -1.85 0.35 116.25 124.70 1sii h VAL 251 Ca -0.33 -0.85 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 1sii h VAL 251 Cb 1.18 1.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1sii h VAL 251 CO 0.47 0.23 -0.15 -0.09 -1.01 0.00 0.00 177.57 177.02 1sii h ARG 252 N 0.00 0.00 0.00 4.17 2.43 -1.88 0.13 114.38 119.23 1sii h ARG 252 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1sii h ARG 252 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1sii h ARG 252 CO 0.03 0.22 -0.17 0.93 -1.51 0.00 0.00 179.97 179.47 1sii h GLU 253 N -1.00 0.00 0.00 0.20 5.08 -1.82 -3.17 114.58 113.87 1sii h GLU 253 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1sii h GLU 253 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1sii h GLU 253 CO -0.01 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1sii n GLY 254 N 1.12 0.33 3.71 -3.84 0.00 0.12 -4.59 105.19 102.05 1sii n GLY 254 Ca 0.03 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1sii n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sii s VAL 255 N 0.00 3.36 -0.07 1.61 1.01 -1.26 -0.64 120.40 124.41 1sii s VAL 255 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 61.98 62.96 1sii s VAL 255 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 1sii s VAL 255 CO 0.00 0.06 -0.20 -0.69 0.00 0.00 0.00 175.10 174.27 1sii s VAL 256 N 1.42 1.68 -0.16 2.92 1.01 -0.43 -4.65 120.40 122.19 1sii s VAL 256 Ca 0.65 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1sii s VAL 256 Cb -0.36 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1sii s VAL 256 CO 0.30 0.48 0.11 -0.76 0.00 0.00 0.00 175.10 175.22 1sii s LEU 257 N 0.22 4.11 0.08 3.92 1.43 -0.65 -0.04 118.68 127.75 1sii s LEU 257 Ca -0.11 0.25 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1sii s LEU 257 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1sii s LEU 257 CO 0.05 0.26 -0.25 -1.00 0.23 0.00 0.00 176.35 175.64 1sii s HIS 258 N -0.12 2.15 -1.32 0.29 3.76 0.15 -1.08 115.29 119.11 1sii s HIS 258 Ca 0.09 -0.40 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 1sii s HIS 258 Cb -0.12 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.35 1sii s HIS 258 CO 0.01 0.19 1.08 0.09 -0.85 0.00 0.00 174.74 175.25 1sii n ASN 259 N 1.46 -4.53 -4.66 1.40 3.02 -0.49 -0.99 115.26 110.47 1sii n ASN 259 Ca -0.18 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.34 1sii n ASN 259 Cb 0.53 -4.89 -0.03 0.00 -0.61 0.00 0.00 39.78 34.79 1sii n ASN 259 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sii s ILE 260 N -3.35 3.85 0.10 2.41 1.01 -0.05 -3.93 121.20 121.24 1sii s ILE 260 Ca 0.37 1.06 -0.09 0.00 0.00 0.00 0.00 60.65 62.00 1sii s ILE 260 Cb -0.17 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 1sii s ILE 260 CO 0.75 -0.08 0.20 0.00 0.00 0.00 0.00 174.94 175.80 1sii s ALA 261 N 3.65 -0.19 -0.05 9.38 0.00 -0.50 -0.64 121.76 133.41 1sii s ALA 261 Ca 0.65 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.97 1sii s ALA 261 Cb -0.29 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.39 1sii s ALA 261 CO 0.24 -0.53 -0.06 0.12 0.00 0.00 0.00 175.76 175.53 1sii s PHE 262 N -3.87 0.88 -0.56 0.00 2.19 -0.23 -1.13 117.98 115.26 1sii s PHE 262 Ca 0.06 -0.27 -0.24 0.00 0.33 0.00 0.00 56.93 56.81 1sii s PHE 262 Cb 0.05 -0.75 0.04 0.00 -1.31 0.00 0.00 43.02 41.05 1sii s PHE 262 CO -0.10 -0.22 0.95 0.50 1.83 0.00 0.00 175.22 178.18 1sii s ARG 263 N 0.95 3.32 -0.47 10.12 3.52 0.12 -0.80 118.95 135.71 1sii s ARG 263 Ca -0.10 -0.29 -0.09 0.00 -0.13 0.00 0.00 55.73 55.11 1sii s ARG 263 Cb -0.14 -4.06 0.11 0.00 -1.56 0.00 0.00 34.95 29.30 1sii s ARG 263 CO 0.00 -1.51 0.34 0.34 -0.81 0.00 0.00 175.30 173.66 1sii s ASP 264 N 2.90 5.72 1.64 -2.12 2.15 -0.34 -4.86 116.67 121.77 1sii s ASP 264 Ca 0.30 -1.85 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1sii s ASP 264 Cb -0.13 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1sii s ASP 264 CO 0.19 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 1sii n GLY 265 N 4.92 3.55 0.11 2.66 0.00 -1.26 -2.55 105.19 112.62 1sii n GLY 265 Ca -0.08 -0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.91 1sii n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sii h ASP 266 N 0.00 0.00 -3.33 1.61 3.32 -2.00 -3.47 116.42 112.55 1sii h ASP 266 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1sii h ASP 266 Cb 0.00 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.43 1sii h ASP 266 CO 0.00 0.44 -0.41 -0.13 -1.72 0.00 0.00 179.24 177.42 1sii s ARG 267 N -3.02 4.20 -0.45 3.56 0.52 -1.06 -5.04 118.95 117.66 1sii s ARG 267 Ca -0.01 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.84 1sii s ARG 267 Cb 0.09 -3.44 0.03 0.00 0.52 0.00 0.00 34.95 32.14 1sii s ARG 267 CO 0.79 0.22 1.10 -1.17 0.02 0.00 0.00 175.30 176.27 1sii s LEU 268 N 0.55 3.72 -0.32 2.53 2.96 -1.26 -1.20 118.68 125.66 1sii s LEU 268 Ca 0.12 0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.43 1sii s LEU 268 Cb -0.12 -3.50 -0.00 0.00 0.50 0.00 0.00 46.19 43.06 1sii s LEU 268 CO 0.02 -1.18 0.17 -0.13 -1.32 0.00 0.00 176.35 173.91 1sii s ARG 269 N 4.26 3.29 0.60 1.98 0.52 0.02 -4.90 118.95 124.72 1sii s ARG 269 Ca 0.46 -0.76 -0.20 0.00 -0.52 0.00 0.00 55.73 54.72 1sii s ARG 269 Cb -0.08 -3.62 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1sii s ARG 269 CO 0.29 -0.46 1.30 -2.14 0.02 0.00 0.00 175.30 174.31 1sii s PRO 270 N 1.62 2.84 0.12 3.54 0.02 -1.26 -1.07 135.00 140.81 1sii s PRO 270 Ca 0.04 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.14 1sii s PRO 270 Cb -0.17 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.34 1sii s PRO 270 CO 0.07 -1.37 0.00 -0.89 -0.33 0.00 0.00 177.00 174.47 1sii n ILE 271 N -1.53 0.63 -4.22 2.83 5.41 0.19 -0.83 119.36 121.85 1sii n ILE 271 Ca 0.13 0.21 -0.26 0.00 1.00 0.00 0.00 62.75 63.84 1sii n ILE 271 Cb 0.47 -1.24 -0.17 0.00 -0.71 0.00 0.00 39.64 38.00 1sii n ILE 271 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1sii s ILE 272 N -2.00 1.08 0.13 1.39 1.01 -0.94 -1.02 121.20 120.85 1sii s ILE 272 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 1sii s ILE 272 Cb 0.00 -1.04 -0.10 0.00 0.01 0.00 0.00 42.46 41.33 1sii s ILE 272 CO 0.00 0.36 1.40 -1.13 0.00 0.00 0.00 174.94 175.57 1sii h ASN 273 N 7.61 0.92 -3.31 3.58 -1.24 -0.89 -0.09 115.58 122.16 1sii h ASN 273 Ca -0.31 -0.52 -0.08 0.00 0.71 0.00 0.00 56.30 56.10 1sii h ASN 273 Cb 1.16 -0.27 -0.24 0.00 0.73 0.00 0.00 38.32 39.70 1sii h ASN 273 CO 0.44 1.31 -0.18 -0.60 -1.29 0.00 0.00 177.43 177.12 1sii s ARG 274 N -4.02 0.52 -0.08 6.67 3.52 -1.06 -1.39 118.95 123.10 1sii s ARG 274 Ca -0.10 0.89 0.02 0.00 -0.13 0.00 0.00 55.73 56.41 1sii s ARG 274 Cb 0.10 0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1sii s ARG 274 CO 0.89 -0.14 -0.14 0.00 -0.81 0.00 0.00 175.30 175.10 1sii s ALA 275 N 1.22 1.46 0.16 6.12 0.00 -0.24 -0.82 121.76 129.65 1sii s ALA 275 Ca -0.08 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1sii s ALA 275 Cb -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.41 1sii s ALA 275 CO -0.12 0.07 0.41 -1.54 0.00 0.00 0.00 175.76 174.58 1sii s SER 276 N 0.75 -0.18 -0.56 0.00 1.04 -0.79 -1.63 113.70 112.32 1sii s SER 276 Ca -0.12 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.62 1sii s SER 276 Cb -0.16 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1sii s SER 276 CO 0.03 -0.93 0.72 -0.63 0.98 0.00 0.00 173.24 173.41 1sii s ILE 277 N -3.86 4.75 -0.77 -1.02 -1.09 -1.26 -0.20 121.20 117.75 1sii s ILE 277 Ca 0.08 -0.64 0.25 0.00 -2.23 0.00 0.00 60.65 58.11 1sii s ILE 277 Cb 0.01 -4.44 0.07 0.00 -1.58 0.00 0.00 42.46 36.52 1sii s ILE 277 CO -0.06 -1.04 1.42 0.00 -1.23 0.00 0.00 174.94 174.02 1sii n ALA 278 N 6.51 3.01 -3.47 9.38 0.00 0.25 -4.67 120.51 131.52 1sii n ALA 278 Ca -0.07 -0.25 -0.13 0.00 0.00 0.00 0.00 53.44 52.99 1sii n ALA 278 Cb 0.44 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1sii n ALA 278 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1sii s GLU 279 N -3.10 1.11 -0.16 0.00 2.56 -1.21 -4.51 118.70 113.38 1sii s GLU 279 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 54.97 54.70 1sii s GLU 279 Cb 0.15 0.52 0.05 0.00 2.00 0.00 0.00 34.13 36.85 1sii s GLU 279 CO 0.69 -0.45 0.41 0.00 -0.56 0.00 0.00 175.26 175.35 1sii s MET 280 N -2.92 0.41 0.02 4.30 0.23 -1.26 -1.28 119.30 118.80 1sii s MET 280 Ca -0.01 0.73 0.05 0.00 -1.03 0.00 0.00 55.69 55.43 1sii s MET 280 Cb -0.01 0.05 -0.02 0.00 -1.53 0.00 0.00 34.83 33.32 1sii s MET 280 CO -0.06 -0.13 -0.16 0.54 -2.03 0.00 0.00 175.02 173.17 1sii s VAL 281 N 1.07 1.28 -0.53 5.16 0.11 0.73 -1.41 120.40 126.83 1sii s VAL 281 Ca -0.07 -0.89 0.04 0.00 -2.93 0.00 0.00 61.98 58.13 1sii s VAL 281 Cb -0.07 -1.11 0.14 0.00 -1.53 0.00 0.00 36.38 33.81 1sii s VAL 281 CO -0.09 0.20 0.29 -0.69 -3.33 0.00 0.00 175.10 171.49 1sii s VAL 282 N -0.62 2.31 0.10 2.04 1.01 0.08 -0.30 120.40 125.03 1sii s VAL 282 Ca 0.05 -3.28 -0.27 0.00 0.00 0.00 0.00 61.98 58.48 1sii s VAL 282 Cb -0.07 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 1sii s VAL 282 CO 0.01 -0.86 0.83 -2.16 0.00 0.00 0.00 175.10 172.91 1sii s PRO 283 N -0.32 4.59 -0.06 2.72 0.04 -1.21 -1.65 135.00 139.11 1sii s PRO 283 Ca 0.19 1.22 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1sii s PRO 283 Cb -0.21 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1sii s PRO 283 CO -0.03 0.33 0.15 0.71 0.04 0.00 0.00 177.00 178.21 1sii s TYR 284 N -0.32 3.55 -0.26 0.56 1.51 -0.86 -1.94 117.35 119.58 1sii s TYR 284 Ca 0.40 0.42 0.12 0.00 -1.01 0.00 0.00 57.07 57.00 1sii s TYR 284 Cb -0.22 -1.87 0.58 0.00 -0.11 0.00 0.00 41.96 40.34 1sii s TYR 284 CO 0.26 0.68 1.55 0.41 -1.11 0.00 0.00 175.55 177.34 1sii n GLY 285 N 1.42 4.25 3.55 0.71 0.00 0.38 -4.88 105.19 110.62 1sii n GLY 285 Ca -0.15 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 1sii n GLY 285 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sii s ASP 286 N -1.89 6.19 0.00 1.61 2.15 -1.26 -4.81 116.67 118.66 1sii s ASP 286 Ca 0.47 -0.18 0.20 0.00 0.43 0.00 0.00 52.55 53.47 1sii s ASP 286 Cb 0.39 -2.20 1.16 0.00 -0.30 0.00 0.00 42.92 41.97 1sii s ASP 286 CO 0.07 -0.33 1.62 -0.81 -0.17 0.00 0.00 175.17 175.55 1sii n PRO 287 N 5.39 0.53 -1.65 4.34 -0.04 -1.26 -3.61 135.00 138.70 1sii n PRO 287 Ca -0.09 0.03 -0.44 0.00 -0.04 0.00 0.00 63.50 62.96 1sii n PRO 287 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 1sii n PRO 287 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sii n SER 288 N -1.09 2.14 0.31 3.54 2.88 -1.26 -4.68 113.62 115.45 1sii n SER 288 Ca 0.13 1.18 0.21 0.00 -1.33 0.00 0.00 58.87 59.06 1sii n SER 288 Cb 0.10 -1.39 1.02 0.00 -0.75 0.00 0.00 64.21 63.20 1sii n SER 288 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1sii h PRO 289 N 2.70 0.00 -0.04 -1.46 0.13 -1.99 0.25 132.00 131.59 1sii h PRO 289 Ca -0.43 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 1sii h PRO 289 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1sii h PRO 289 CO 0.65 0.00 -0.24 0.82 -0.23 0.00 0.00 178.00 179.00 1sii h ILE 290 N 0.00 1.19 0.00 -3.56 1.08 -1.94 -3.35 117.51 110.93 1sii h ILE 290 Ca 0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1sii h ILE 290 Cb 0.18 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1sii h ILE 290 CO 0.00 0.27 0.00 0.54 -0.69 0.00 0.00 178.15 178.27 1sii n ARG 291 N -4.23 0.09 0.06 2.37 1.74 -0.75 -4.86 116.66 111.10 1sii n ARG 291 Ca -0.02 -0.21 0.09 0.00 -0.77 0.00 0.00 57.85 56.94 1sii n ARG 291 Cb 0.31 -0.67 0.37 0.00 -1.02 0.00 0.00 32.46 31.45 1sii n ARG 291 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sii n SER 292 N -0.07 0.30 -0.21 0.55 3.41 0.81 -1.11 113.62 117.29 1sii n SER 292 Ca 0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1sii n SER 292 Cb 0.11 -0.64 0.36 0.00 -0.26 0.00 0.00 64.21 63.78 1sii n SER 292 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1sii n TRP 293 N -1.84 0.00 -2.43 7.33 4.27 -1.26 -4.94 117.44 118.57 1sii n TRP 293 Ca 0.02 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.20 1sii n TRP 293 Cb 0.17 -0.14 -0.02 0.00 -1.36 0.00 0.00 31.31 29.96 1sii n TRP 293 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 1sii s GLN 294 N -2.56 3.87 -0.15 -2.67 -0.21 -0.27 -4.74 119.66 112.93 1sii s GLN 294 Ca 0.23 1.16 -0.05 0.00 0.02 0.00 0.00 55.36 56.72 1sii s GLN 294 Cb 0.19 -3.89 0.07 0.00 1.00 0.00 0.00 33.01 30.38 1sii s GLN 294 CO 0.54 -1.18 0.28 -0.80 -2.12 0.00 0.00 175.29 172.01 1sii s ASN 295 N 2.87 0.37 -0.31 5.90 0.01 -1.26 -2.03 114.94 120.49 1sii s ASN 295 Ca 0.56 0.55 -0.07 0.00 -0.71 0.00 0.00 52.86 53.19 1sii s ASN 295 Cb -0.16 0.77 0.02 0.00 0.41 0.00 0.00 41.25 42.30 1sii s ASN 295 CO 0.24 -0.25 0.09 -0.31 -1.51 0.00 0.00 177.10 175.36 1sii s TYR 296 N 2.44 3.18 -0.85 2.20 2.02 -0.66 -4.85 117.35 120.84 1sii s TYR 296 Ca 0.02 -1.12 -0.20 0.00 -0.37 0.00 0.00 57.07 55.40 1sii s TYR 296 Cb -0.13 -2.26 0.11 0.00 -0.40 0.00 0.00 41.96 39.28 1sii s TYR 296 CO -0.10 -0.63 1.09 -0.06 -1.57 0.00 0.00 175.55 174.29 1sii s PHE 297 N 1.47 2.95 0.20 2.71 0.40 -1.26 -0.74 117.98 123.72 1sii s PHE 297 Ca 0.01 -1.11 -0.10 0.00 -0.60 0.00 0.00 56.93 55.13 1sii s PHE 297 Cb -0.18 -4.31 0.14 0.00 0.51 0.00 0.00 43.02 39.19 1sii s PHE 297 CO 0.02 -1.56 1.85 -0.44 0.70 0.00 0.00 175.22 175.80 1sii h ASP 298 N 9.11 0.87 0.12 1.36 5.19 -1.62 0.75 116.42 132.20 1sii h ASP 298 Ca 0.02 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1sii h ASP 298 Cb 1.04 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1sii h ASP 298 CO 1.15 0.66 -0.06 0.74 -3.12 0.00 0.00 179.24 178.61 1sii h THR 299 N 1.00 0.81 -0.04 0.35 2.02 -1.85 -0.93 112.91 114.27 1sii h THR 299 Ca 0.26 -1.28 -0.23 0.00 0.77 0.00 0.00 66.41 65.93 1sii h THR 299 Cb -0.06 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1sii h THR 299 CO -0.05 0.23 -0.91 1.23 0.37 0.00 0.00 175.52 176.40 1sii h GLY 300 N -0.92 0.65 0.53 2.16 0.00 -1.82 -2.22 103.07 101.45 1sii h GLY 300 Ca -0.02 -1.05 -0.35 0.00 0.00 0.00 0.00 47.33 45.91 1sii h GLY 300 CO 0.03 0.93 -1.95 1.18 0.00 0.00 0.00 176.54 176.73 1sii n GLU 301 N -3.83 0.74 -0.02 4.80 1.02 0.24 -4.49 120.64 119.10 1sii n GLU 301 Ca -0.08 0.29 0.07 0.00 -0.02 0.00 0.00 57.16 57.42 1sii n GLU 301 Cb 0.81 -1.71 -0.14 0.00 -0.02 0.00 0.00 31.44 30.39 1sii n GLU 301 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sii n TYR 302 N -3.57 0.00 -2.34 -0.32 4.02 -1.03 -0.90 117.16 113.02 1sii n TYR 302 Ca -0.33 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.54 1sii n TYR 302 Cb 1.01 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 1sii n TYR 302 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1sii n LEU 303 N -2.16 -5.96 -0.12 7.72 4.77 -0.38 -4.84 117.00 116.03 1sii n LEU 303 Ca -0.05 0.68 0.01 0.00 -0.03 0.00 0.00 56.01 56.62 1sii n LEU 303 Cb 0.51 -2.57 0.31 0.00 -2.33 0.00 0.00 43.42 39.34 1sii n LEU 303 CO 0.37 -1.87 1.18 -0.37 -1.33 0.00 0.00 177.39 175.36 1sii h VAL 304 N 1.70 1.16 -0.98 4.08 -1.51 -1.51 -2.35 116.25 116.83 1sii h VAL 304 Ca 0.00 -0.35 0.14 0.00 -1.23 0.00 0.00 66.70 65.25 1sii h VAL 304 Cb 0.30 0.33 -0.08 0.00 -2.13 0.00 0.00 31.29 29.70 1sii h VAL 304 CO 0.10 0.17 0.62 1.23 -1.23 0.00 0.00 177.57 178.45 1sii h GLY 305 N 0.84 1.57 2.00 5.19 0.00 -0.85 -2.35 103.07 109.48 1sii h GLY 305 Ca 0.21 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1sii h GLY 305 CO -0.04 0.11 -0.16 0.06 0.00 0.00 0.00 176.54 176.51 1sii h GLN 306 N 0.90 0.00 -0.60 4.80 3.07 -0.99 -2.39 115.11 119.90 1sii h GLN 306 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.24 1sii h GLN 306 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1sii h GLN 306 CO -0.27 0.16 0.00 0.66 0.09 0.00 0.00 178.83 179.47 1sii n TYR 307 N -3.64 1.85 -1.69 0.06 4.01 -0.89 -4.98 117.16 111.88 1sii n TYR 307 Ca -0.01 -0.69 -0.44 0.00 -0.16 0.00 0.00 57.90 56.59 1sii n TYR 307 Cb 0.28 -0.41 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 1sii n TYR 307 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sii n ALA 308 N 0.79 1.52 -1.77 -0.72 0.00 -0.90 -2.78 120.51 116.66 1sii n ALA 308 Ca 0.27 0.41 -0.34 0.00 0.00 0.00 0.00 53.44 53.78 1sii n ALA 308 Cb 1.08 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 1sii n ALA 308 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1sii s ASN 309 N 0.48 6.09 -0.17 0.00 0.02 0.10 -4.96 114.94 116.52 1sii s ASN 309 Ca 0.70 1.97 -0.29 0.00 -1.02 0.00 0.00 52.86 54.21 1sii s ASN 309 Cb -0.62 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.09 1sii s ASN 309 CO 0.46 -0.95 1.05 -0.44 0.02 0.00 0.00 177.10 177.24 1sii s SER 310 N -2.08 7.15 -0.28 -1.22 0.01 -1.26 -4.32 113.70 111.70 1sii s SER 310 Ca 0.68 1.48 -0.14 0.00 1.31 0.00 0.00 55.95 59.28 1sii s SER 310 Cb -0.18 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1sii s SER 310 CO 0.25 -0.58 0.32 -0.76 0.41 0.00 0.00 173.24 172.88 1sii s LEU 311 N 2.67 4.10 0.24 2.44 1.43 -0.53 -5.00 118.68 124.02 1sii s LEU 311 Ca 0.47 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.42 1sii s LEU 311 Cb -0.17 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.63 1sii s LEU 311 CO 0.12 -0.17 0.88 -1.61 0.23 0.00 0.00 176.35 175.80 1sii s GLU 312 N 1.98 4.67 0.41 1.70 0.41 -1.26 -4.89 118.70 121.71 1sii s GLU 312 Ca 0.12 1.31 -0.25 0.00 -0.41 0.00 0.00 54.97 55.75 1sii s GLU 312 Cb -0.16 -3.12 -0.08 0.00 -1.78 0.00 0.00 34.13 28.98 1sii s GLU 312 CO 0.11 0.46 1.16 -1.17 -0.49 0.00 0.00 175.26 175.33 1sii s LEU 313 N -1.46 4.16 -0.56 1.80 0.20 -1.26 -1.60 118.68 119.95 1sii s LEU 313 Ca 0.42 2.33 0.00 0.00 0.69 0.00 0.00 54.13 57.57 1sii s LEU 313 Cb -0.23 -4.07 0.00 0.00 -0.43 0.00 0.00 46.19 41.46 1sii s LEU 313 CO 0.28 -0.71 0.00 0.61 -0.29 0.00 0.00 176.35 176.23 1sii n GLY 314 N 0.58 0.59 1.62 7.98 0.00 -0.89 -4.71 105.19 110.36 1sii n GLY 314 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sii n GLY 314 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sii h ASP 316 N 0.00 0.55 -3.28 0.00 3.32 -1.58 -3.44 116.42 111.98 1sii h ASP 316 Ca 0.00 -0.54 -0.45 0.00 0.02 0.00 0.00 57.03 56.06 1sii h ASP 316 Cb 0.00 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 39.01 1sii h ASP 316 CO 0.00 1.39 -0.78 0.00 -1.72 0.00 0.00 179.24 178.14 1sii s LEU 318 N 1.67 3.26 0.00 0.00 2.96 -1.26 -2.09 118.68 123.22 1sii s LEU 318 Ca 0.01 -0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1sii s LEU 318 Cb -0.13 -1.73 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1sii s LEU 318 CO -0.05 0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.92 1sii n GLY 319 N 2.50 -0.31 3.45 7.98 0.00 -1.26 -4.89 105.19 112.66 1sii n GLY 319 Ca -0.18 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 1sii n GLY 319 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sii s ASP 320 N -4.00 6.20 -0.14 1.61 -1.08 -1.26 -4.85 116.67 113.15 1sii s ASP 320 Ca 0.00 -1.06 -0.05 0.00 -0.52 0.00 0.00 52.55 50.92 1sii s ASP 320 Cb 0.00 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 39.01 1sii s ASP 320 CO 0.00 -1.42 0.04 -0.63 0.52 0.00 0.00 175.17 173.68 1sii s ILE 321 N 3.98 4.64 -0.17 4.11 -1.09 -1.26 -4.63 121.20 126.79 1sii s ILE 321 Ca 0.23 -0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1sii s ILE 321 Cb -0.16 -3.03 -0.03 0.00 -1.58 0.00 0.00 42.46 37.66 1sii s ILE 321 CO 0.09 0.53 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.42 1sii s THR 322 N -0.23 3.99 0.04 2.92 2.01 -0.25 -4.97 115.64 119.15 1sii s THR 322 Ca 0.07 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1sii s THR 322 Cb -0.12 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1sii s THR 322 CO 0.02 0.48 0.06 -0.31 -0.69 0.00 0.00 174.62 174.17 1sii s TYR 323 N 0.50 3.17 0.06 4.92 2.02 -1.26 -0.57 117.35 126.19 1sii s TYR 323 Ca -0.02 0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.82 1sii s TYR 323 Cb -0.14 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1sii s TYR 323 CO 0.02 0.51 -0.00 -0.51 -1.57 0.00 0.00 175.55 174.00 1sii s LEU 324 N -2.04 3.46 -0.55 -1.29 1.43 -0.52 -5.00 118.68 114.18 1sii s LEU 324 Ca 0.25 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 1sii s LEU 324 Cb -0.12 -2.12 0.15 0.00 0.03 0.00 0.00 46.19 44.13 1sii s LEU 324 CO 0.17 0.21 0.33 -0.44 0.23 0.00 0.00 176.35 176.86 1sii s SER 325 N -2.02 4.11 0.61 2.29 0.01 -1.26 -2.02 113.70 115.43 1sii s SER 325 Ca 0.23 -3.17 -0.18 0.00 1.31 0.00 0.00 55.95 54.14 1sii s SER 325 Cb -0.12 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.68 1sii s SER 325 CO 0.15 -0.19 1.17 -2.16 0.41 0.00 0.00 173.24 172.62 1sii s PRO 326 N -0.46 2.90 -0.11 12.44 0.04 -1.22 -4.64 135.00 143.96 1sii s PRO 326 Ca 0.21 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1sii s PRO 326 Cb -0.17 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1sii s PRO 326 CO -0.06 -1.23 -0.07 0.08 0.04 0.00 0.00 177.00 175.76 1sii s VAL 327 N -1.82 3.67 0.33 -0.36 1.01 -1.26 -0.59 120.40 121.37 1sii s VAL 327 Ca 0.74 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1sii s VAL 327 Cb -0.27 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1sii s VAL 327 CO 0.35 0.55 0.03 0.27 0.00 0.00 0.00 175.10 176.30 1sii s ILE 328 N -0.19 1.37 0.11 2.22 -4.36 -0.13 -4.82 121.20 115.41 1sii s ILE 328 Ca 0.02 -2.02 -0.21 0.00 -0.26 0.00 0.00 60.65 58.18 1sii s ILE 328 Cb -0.13 -2.75 -0.07 0.00 1.25 0.00 0.00 42.46 40.76 1sii s ILE 328 CO 0.03 -0.06 0.63 -0.55 0.24 0.00 0.00 174.94 175.23 1sii s SER 329 N -3.50 7.14 1.00 4.36 0.15 -1.26 -0.07 113.70 121.52 1sii s SER 329 Ca 0.35 1.37 -0.08 0.00 0.70 0.00 0.00 55.95 58.29 1sii s SER 329 Cb 0.08 -2.40 0.10 0.00 -1.71 0.00 0.00 66.02 62.10 1sii s SER 329 CO 0.15 0.24 0.61 -0.90 1.20 0.00 0.00 173.24 174.54 1sii n ASP 330 N 1.60 0.05 0.18 5.45 5.68 -0.02 -4.88 116.55 124.60 1sii n ASP 330 Ca -0.08 -1.22 0.13 0.00 -0.50 0.00 0.00 54.79 53.12 1sii n ASP 330 Cb 0.50 -0.47 0.62 0.00 -1.14 0.00 0.00 41.12 40.64 1sii n ASP 330 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sii h ALA 331 N -1.90 1.00 -0.12 2.12 0.00 -1.89 -2.62 119.26 115.86 1sii h ALA 331 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sii h ALA 331 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1sii h ALA 331 CO 0.14 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.58 1sii n PHE 332 N -2.44 0.14 -0.36 0.00 3.72 -1.26 0.48 117.46 117.74 1sii n PHE 332 Ca 0.00 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 1sii n PHE 332 Cb 0.16 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1sii n PHE 332 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sii n GLY 333 N 0.81 0.78 3.77 1.37 0.00 -0.99 -4.93 105.19 106.00 1sii n GLY 333 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1sii n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sii s ASN 334 N -2.28 7.45 0.37 1.61 0.01 -1.26 -4.28 114.94 116.54 1sii s ASN 334 Ca 0.00 1.71 -0.27 0.00 -0.71 0.00 0.00 52.86 53.59 1sii s ASN 334 Cb 0.00 -2.53 -0.10 0.00 0.41 0.00 0.00 41.25 39.04 1sii s ASN 334 CO 0.00 0.18 1.29 -2.16 -1.51 0.00 0.00 177.10 174.90 1sii s PRO 335 N -1.07 4.18 -0.04 -0.60 0.04 -1.26 -0.85 135.00 135.41 1sii s PRO 335 Ca 0.37 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1sii s PRO 335 Cb -0.24 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.41 1sii s PRO 335 CO 0.28 -0.31 -0.01 0.50 0.04 0.00 0.00 177.00 177.49 1sii s ARG 336 N -2.01 0.46 -0.03 4.56 3.52 0.90 -4.85 118.95 121.51 1sii s ARG 336 Ca 0.53 0.04 -0.20 0.00 -0.13 0.00 0.00 55.73 55.96 1sii s ARG 336 Cb -0.38 -0.61 -0.05 0.00 -1.56 0.00 0.00 34.95 32.34 1sii s ARG 336 CO 0.50 -0.14 0.59 -2.00 -0.81 0.00 0.00 175.30 173.44 1sii s GLU 337 N 1.08 4.33 -0.79 5.12 2.12 -1.26 -0.96 118.70 128.35 1sii s GLU 337 Ca -0.09 0.71 -0.18 0.00 0.36 0.00 0.00 54.97 55.77 1sii s GLU 337 Cb -0.14 -3.37 0.14 0.00 0.26 0.00 0.00 34.13 31.03 1sii s GLU 337 CO -0.01 0.30 0.90 0.42 -0.54 0.00 0.00 175.26 176.33 1sii s ILE 338 N 0.05 4.96 0.13 -3.70 1.01 0.24 -4.99 121.20 118.90 1sii s ILE 338 Ca 0.31 -1.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.08 1sii s ILE 338 Cb -0.18 -4.61 -0.09 0.00 0.01 0.00 0.00 42.46 37.59 1sii s ILE 338 CO 0.16 -1.27 1.59 -0.60 0.00 0.00 0.00 174.94 174.82 1sii s ARG 339 N 2.10 4.21 -1.44 2.79 3.52 -1.26 -2.79 118.95 126.08 1sii s ARG 339 Ca 0.22 2.34 -0.10 0.00 -0.13 0.00 0.00 55.73 58.06 1sii s ARG 339 Cb -0.13 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 29.99 1sii s ARG 339 CO -0.04 -0.64 0.98 0.09 -0.81 0.00 0.00 175.30 174.88 1sii n ASN 340 N 4.56 -4.40 0.17 -2.12 3.02 -1.25 -4.15 115.26 111.09 1sii n ASN 340 Ca 0.14 -0.72 0.12 0.00 -0.03 0.00 0.00 54.58 54.09 1sii n ASN 340 Cb 0.39 -4.24 0.16 0.00 -0.61 0.00 0.00 39.78 35.48 1sii n ASN 340 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1sii h GLY 341 N -2.19 0.00 -6.08 7.41 0.00 -1.25 -1.41 103.07 99.55 1sii h GLY 341 Ca -0.58 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.20 1sii h GLY 341 CO 0.62 0.00 -0.82 -0.42 0.00 0.00 0.00 176.54 175.92 1sii s ILE 342 N -3.23 1.28 -0.06 2.60 1.01 -0.85 -4.51 121.20 117.43 1sii s ILE 342 Ca 0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.07 1sii s ILE 342 Cb 0.07 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1sii s ILE 342 CO 0.69 0.40 0.31 0.00 0.00 0.00 0.00 174.94 176.34 1sii s MET 344 N -0.86 1.08 0.19 0.00 -1.94 0.27 -1.34 119.30 116.69 1sii s MET 344 Ca 0.20 -0.15 -0.21 0.00 -1.71 0.00 0.00 55.69 53.82 1sii s MET 344 Cb -0.15 -1.12 0.05 0.00 2.01 0.00 0.00 34.83 35.63 1sii s MET 344 CO 0.09 -0.14 0.60 -3.38 -0.01 0.00 0.00 175.02 172.18 1sii s HIS 345 N 1.24 -0.37 0.08 -0.03 -3.43 -0.72 -1.08 115.29 110.98 1sii s HIS 345 Ca -0.05 0.08 0.04 0.00 -0.80 0.00 0.00 55.06 54.33 1sii s HIS 345 Cb -0.14 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 1sii s HIS 345 CO -0.02 -0.93 0.01 -1.83 -2.00 0.00 0.00 174.74 169.97 1sii s GLU 346 N -3.81 2.61 0.03 -0.38 -1.05 -1.26 0.32 118.70 115.16 1sii s GLU 346 Ca 0.05 -0.80 -0.04 0.00 -0.15 0.00 0.00 54.97 54.02 1sii s GLU 346 Cb -0.02 -2.58 -0.01 0.00 -0.44 0.00 0.00 34.13 31.08 1sii s GLU 346 CO -0.07 0.55 0.06 -1.83 0.95 0.00 0.00 175.26 174.92 1sii s GLU 347 N -2.27 0.52 0.47 -4.83 -1.05 -0.19 -4.91 118.70 106.45 1sii s GLU 347 Ca 0.26 -0.72 -0.24 0.00 -0.15 0.00 0.00 54.97 54.12 1sii s GLU 347 Cb -0.12 0.20 -0.07 0.00 -0.44 0.00 0.00 34.13 33.70 1sii s GLU 347 CO 0.18 -0.12 1.29 0.34 0.95 0.00 0.00 175.26 177.90 1sii s ASP 348 N -1.96 5.88 -0.31 0.83 2.15 -1.26 -1.37 116.67 120.62 1sii s ASP 348 Ca -0.07 2.61 0.17 0.00 0.43 0.00 0.00 52.55 55.68 1sii s ASP 348 Cb -0.03 -2.63 0.47 0.00 -0.30 0.00 0.00 42.92 40.44 1sii s ASP 348 CO -0.04 -1.14 1.06 1.87 -0.17 0.00 0.00 175.17 176.75 1sii n TRP 349 N -0.48 1.66 -4.37 -5.34 -0.00 -0.46 -4.78 117.44 103.67 1sii n TRP 349 Ca 0.07 -2.52 0.00 0.00 -0.00 0.00 0.00 57.50 55.05 1sii n TRP 349 Cb 0.45 -0.28 0.00 0.00 -0.00 0.00 0.00 31.31 31.48 1sii n TRP 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1sii n GLY 350 N -0.39 -0.25 3.73 5.87 0.00 -1.26 -4.38 105.19 108.50 1sii n GLY 350 Ca 0.16 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1sii n GLY 350 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sii s ILE 351 N 0.00 4.65 -0.19 -0.61 1.01 -1.26 0.02 121.20 124.82 1sii s ILE 351 Ca 0.00 1.98 -0.19 0.00 0.00 0.00 0.00 60.65 62.44 1sii s ILE 351 Cb 0.00 -4.28 -0.21 0.00 0.01 0.00 0.00 42.46 37.98 1sii s ILE 351 CO 0.00 0.28 0.26 0.25 0.00 0.00 0.00 174.94 175.73 1sii h LEU 352 N 5.96 0.07 -7.09 2.97 5.85 -0.77 -3.41 115.31 118.90 1sii h LEU 352 Ca -0.42 -0.60 -0.07 0.00 0.84 0.00 0.00 57.88 57.63 1sii h LEU 352 Cb 1.21 -0.02 -0.21 0.00 0.37 0.00 0.00 40.66 42.01 1sii h LEU 352 CO 0.73 1.54 0.06 0.00 -0.34 0.00 0.00 178.44 180.43 1sii s ALA 353 N -2.39 -1.58 -0.20 1.25 0.00 -1.14 -4.95 121.76 112.75 1sii s ALA 353 Ca -0.27 1.48 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 1sii s ALA 353 Cb 0.06 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.69 1sii s ALA 353 CO 0.63 -0.32 0.52 0.21 0.00 0.00 0.00 175.76 176.79 1sii s LYS 354 N -0.39 0.56 -0.18 0.00 2.20 -1.26 -1.47 119.74 119.19 1sii s LYS 354 Ca -0.05 0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 56.28 1sii s LYS 354 Cb -0.03 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1sii s LYS 354 CO 0.05 -0.12 0.46 -1.58 -0.36 0.00 0.00 175.35 173.80 1sii s HIS 355 N 0.96 -0.60 -0.38 4.03 2.46 -0.62 -5.03 115.29 116.11 1sii s HIS 355 Ca -0.05 1.35 -0.04 0.00 0.47 0.00 0.00 55.06 56.78 1sii s HIS 355 Cb -0.06 0.26 0.08 0.00 -0.13 0.00 0.00 32.58 32.74 1sii s HIS 355 CO -0.08 -0.32 0.15 -1.12 -2.47 0.00 0.00 174.74 170.90 1sii s SER 356 N 0.90 5.22 -0.25 9.88 0.01 -1.26 -1.49 113.70 126.72 1sii s SER 356 Ca -0.05 -1.69 -0.15 0.00 1.31 0.00 0.00 55.95 55.36 1sii s SER 356 Cb -0.06 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 1sii s SER 356 CO -0.07 -0.45 0.39 -0.62 0.41 0.00 0.00 173.24 172.89 1sii s ASP 357 N 1.69 6.33 0.08 2.44 2.15 -0.47 -4.97 116.67 123.91 1sii s ASP 357 Ca 0.03 0.38 -0.23 0.00 0.43 0.00 0.00 52.55 53.17 1sii s ASP 357 Cb -0.22 -2.22 -0.14 0.00 -0.30 0.00 0.00 42.92 40.04 1sii s ASP 357 CO -0.02 -0.15 1.65 0.25 -0.17 0.00 0.00 175.17 176.73 1sii h LEU 358 N 8.27 0.07 -0.51 -1.34 5.85 -1.96 -1.68 115.31 124.01 1sii h LEU 358 Ca -0.33 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1sii h LEU 358 Cb 1.16 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1sii h LEU 358 CO 0.68 0.15 -0.16 -0.50 -0.34 0.00 0.00 178.44 178.27 1sii h TRP 359 N -0.02 1.14 0.00 1.25 6.55 -1.97 -3.12 115.95 119.78 1sii h TRP 359 Ca 0.02 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 59.60 1sii h TRP 359 Cb 0.10 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.13 1sii h TRP 359 CO -0.04 1.08 -0.89 0.66 -1.05 0.00 0.00 178.44 178.21 1sii h SER 360 N 0.87 0.00 0.00 -3.49 4.64 -1.99 -3.48 113.55 110.10 1sii h SER 360 Ca 0.12 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1sii h SER 360 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1sii h SER 360 CO 0.06 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1sii n GLY 361 N 1.24 0.55 3.69 -0.77 0.00 -0.63 -5.00 105.19 104.27 1sii n GLY 361 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1sii n GLY 361 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sii s ILE 362 N -2.52 5.15 -0.14 -0.61 1.01 -1.24 -4.89 121.20 117.96 1sii s ILE 362 Ca 0.00 0.95 -0.03 0.00 0.00 0.00 0.00 60.65 61.58 1sii s ILE 362 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1sii s ILE 362 CO 0.00 0.25 -0.05 0.20 0.00 0.00 0.00 174.94 175.34 1sii s ASN 363 N 0.89 4.71 -0.03 3.58 0.01 -1.26 -1.37 114.94 121.47 1sii s ASN 363 Ca 0.25 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1sii s ASN 363 Cb -0.15 -1.70 0.03 0.00 0.41 0.00 0.00 41.25 39.84 1sii s ASN 363 CO 0.10 0.19 0.01 -0.47 -1.51 0.00 0.00 177.10 175.42 1sii s TYR 364 N 0.21 0.24 -0.04 2.20 5.04 -0.55 -5.02 117.35 119.43 1sii s TYR 364 Ca -0.03 0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.61 1sii s TYR 364 Cb -0.14 -0.37 0.02 0.00 0.35 0.00 0.00 41.96 41.82 1sii s TYR 364 CO 0.03 -0.12 0.10 0.99 -1.34 0.00 0.00 175.55 175.20 1sii s THR 365 N 1.07 -0.02 0.03 4.34 2.01 -1.26 -1.59 115.64 120.22 1sii s THR 365 Ca -0.09 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1sii s THR 365 Cb -0.13 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1sii s THR 365 CO -0.02 0.03 -0.09 -0.13 -0.69 0.00 0.00 174.62 173.72 1sii s ARG 366 N 0.50 0.63 0.11 4.92 1.81 -0.54 -4.69 118.95 121.69 1sii s ARG 366 Ca -0.04 -0.64 -0.10 0.00 -1.72 0.00 0.00 55.73 53.23 1sii s ARG 366 Cb -0.05 -0.53 -0.06 0.00 -0.45 0.00 0.00 34.95 33.86 1sii s ARG 366 CO -0.02 0.12 0.44 1.03 -0.68 0.00 0.00 175.30 176.19 1sii s ARG 367 N -1.14 3.79 0.43 3.54 1.81 -1.26 -0.15 118.95 125.97 1sii s ARG 367 Ca -0.04 0.22 -0.01 0.00 -1.72 0.00 0.00 55.73 54.18 1sii s ARG 367 Cb -0.08 -2.95 -0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1sii s ARG 367 CO 0.01 0.52 0.66 1.21 -0.68 0.00 0.00 175.30 177.02 1sii s ASN 368 N -1.86 6.06 0.07 0.23 3.84 0.10 -4.49 114.94 118.90 1sii s ASN 368 Ca 0.36 0.49 -0.10 0.00 0.21 0.00 0.00 52.86 53.82 1sii s ASN 368 Cb -0.14 -1.86 0.00 0.00 -0.55 0.00 0.00 41.25 38.71 1sii s ASN 368 CO 0.19 -0.56 0.21 -0.13 -2.79 0.00 0.00 177.10 174.02 1sii s ARG 369 N -4.53 0.80 0.02 0.43 0.52 -1.26 -1.35 118.95 113.57 1sii s ARG 369 Ca 0.45 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1sii s ARG 369 Cb -0.10 0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.68 1sii s ARG 369 CO 0.39 -0.25 -0.09 -0.98 0.02 0.00 0.00 175.30 174.39 1sii s ARG 370 N -3.27 0.65 -0.02 3.54 1.70 -0.47 -2.66 118.95 118.41 1sii s ARG 370 Ca 0.00 -0.54 -0.24 0.00 -0.47 0.00 0.00 55.73 54.49 1sii s ARG 370 Cb 0.02 -0.58 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1sii s ARG 370 CO -0.08 0.14 0.71 1.41 -1.08 0.00 0.00 175.30 176.41 1sii s MET 371 N -0.84 4.44 -0.13 3.89 -2.45 -0.08 -1.02 119.30 123.11 1sii s MET 371 Ca -0.01 0.93 0.02 0.00 -1.25 0.00 0.00 55.69 55.38 1sii s MET 371 Cb -0.06 -3.41 -0.00 0.00 1.25 0.00 0.00 34.83 32.61 1sii s MET 371 CO 0.00 0.17 -0.19 0.08 1.05 0.00 0.00 175.02 176.13 1sii s VAL 372 N 0.41 2.40 -0.18 10.11 1.01 0.15 -1.48 120.40 132.81 1sii s VAL 372 Ca 0.37 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1sii s VAL 372 Cb -0.19 -1.97 0.04 0.00 0.00 0.00 0.00 36.38 34.26 1sii s VAL 372 CO 0.20 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 175.10 1sii s ILE 373 N 0.60 1.54 0.09 2.22 1.01 -0.32 -1.75 121.20 124.60 1sii s ILE 373 Ca -0.11 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1sii s ILE 373 Cb -0.16 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1sii s ILE 373 CO 0.03 0.23 0.07 -0.94 0.00 0.00 0.00 174.94 174.33 1sii s SER 374 N 1.45 0.32 0.21 3.58 1.04 -0.45 -1.21 113.70 118.64 1sii s SER 374 Ca 0.00 -0.97 -0.10 0.00 0.48 0.00 0.00 55.95 55.37 1sii s SER 374 Cb -0.15 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 1sii s SER 374 CO -0.09 -0.69 0.35 0.72 0.98 0.00 0.00 173.24 174.51 1sii s PHE 375 N -3.95 0.48 -0.02 5.02 -0.71 -0.88 -1.10 117.98 116.83 1sii s PHE 375 Ca 0.12 -0.82 0.01 0.00 -1.04 0.00 0.00 56.93 55.21 1sii s PHE 375 Cb 0.07 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.87 1sii s PHE 375 CO -0.06 -0.83 -0.04 0.12 -1.34 0.00 0.00 175.22 173.06 1sii s PHE 376 N -4.01 0.54 0.18 3.49 2.19 -1.26 -1.01 117.98 118.09 1sii s PHE 376 Ca 0.22 -0.11 0.06 0.00 0.33 0.00 0.00 56.93 57.44 1sii s PHE 376 Cb 0.02 -0.42 -0.05 0.00 -1.31 0.00 0.00 43.02 41.26 1sii s PHE 376 CO 0.06 -0.07 -0.13 -0.08 1.83 0.00 0.00 175.22 176.83 1sii s THR 377 N 0.31 1.51 -0.06 0.12 -1.32 0.42 0.01 115.64 116.62 1sii s THR 377 Ca -0.03 -2.15 0.01 0.00 -1.21 0.00 0.00 61.69 58.31 1sii s THR 377 Cb -0.07 -1.96 0.02 0.00 -1.51 0.00 0.00 72.50 68.98 1sii s THR 377 CO -0.00 -0.66 -0.06 -0.89 -2.21 0.00 0.00 174.62 170.80 1sii s THR 378 N -3.11 0.73 -0.24 5.08 2.01 -1.12 -1.24 115.64 117.75 1sii s THR 378 Ca 0.20 -0.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 1sii s THR 378 Cb 0.01 -0.74 0.07 0.00 0.01 0.00 0.00 72.50 71.85 1sii s THR 378 CO 0.04 0.28 0.02 -0.63 -0.69 0.00 0.00 174.62 173.64 1sii s ILE 379 N 1.01 1.00 0.00 1.82 -1.09 -1.26 -4.78 121.20 117.90 1sii s ILE 379 Ca -0.09 -1.06 0.00 0.00 -2.23 0.00 0.00 60.65 57.27 1sii s ILE 379 Cb -0.14 -1.50 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 1sii s ILE 379 CO -0.00 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.00 1sii n GLY 380 N 4.85 3.81 1.49 6.18 0.00 -1.26 -4.75 105.19 115.51 1sii n GLY 380 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 1sii n GLY 380 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sii n ASN 381 N 8.88 5.23 0.00 1.61 6.94 -1.26 -4.99 115.26 131.66 1sii n ASN 381 Ca 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 52.14 1sii n ASN 381 Cb 0.00 -1.08 0.00 0.00 -2.36 0.00 0.00 39.78 36.34 1sii n ASN 381 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1sii n ASP 383 N 1.34 0.00 -4.09 0.53 9.92 -1.02 -0.79 116.55 122.44 1sii n ASP 383 Ca 0.02 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.04 1sii n ASP 383 Cb 0.51 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.83 1sii n ASP 383 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1sii s TYR 384 N -0.01 1.46 -0.13 1.24 2.02 -0.38 -1.03 117.35 120.52 1sii s TYR 384 Ca 0.00 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.24 1sii s TYR 384 Cb 0.00 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.53 1sii s TYR 384 CO 0.00 -0.14 0.07 0.20 -1.57 0.00 0.00 175.55 174.11 1sii s GLY 385 N 0.09 1.97 -0.22 0.71 0.00 0.39 -0.43 107.32 109.84 1sii s GLY 385 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1sii s GLY 385 CO 0.02 -0.27 -0.13 -1.36 0.00 0.00 0.00 173.10 171.35 1sii s PHE 386 N -0.46 2.95 -0.11 1.90 0.40 -0.18 -0.88 117.98 121.60 1sii s PHE 386 Ca 0.10 -1.65 0.03 0.00 -0.60 0.00 0.00 56.93 54.81 1sii s PHE 386 Cb -0.12 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.44 1sii s PHE 386 CO 0.02 -0.77 -0.20 0.71 0.70 0.00 0.00 175.22 175.68 1sii s TYR 387 N 1.29 2.37 -0.11 0.36 1.51 -0.05 -2.07 117.35 120.67 1sii s TYR 387 Ca 0.02 -1.08 -0.01 0.00 -1.01 0.00 0.00 57.07 54.99 1sii s TYR 387 Cb -0.15 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1sii s TYR 387 CO -0.08 -0.49 -0.07 -1.58 -1.11 0.00 0.00 175.55 172.22 1sii s TRP 388 N 0.67 2.94 -0.04 2.71 0.52 -0.35 -0.79 118.94 124.61 1sii s TRP 388 Ca -0.12 -0.18 0.04 0.00 0.02 0.00 0.00 56.10 55.86 1sii s TRP 388 Cb -0.16 -1.81 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 1sii s TRP 388 CO 0.02 0.13 -0.17 0.71 0.02 0.00 0.00 176.95 177.66 1sii s TYR 389 N -0.25 1.73 -0.11 -1.98 2.02 0.12 -1.17 117.35 117.71 1sii s TYR 389 Ca 0.03 -0.49 0.03 0.00 -0.37 0.00 0.00 57.07 56.27 1sii s TYR 389 Cb -0.13 -1.16 -0.00 0.00 -0.40 0.00 0.00 41.96 40.27 1sii s TYR 389 CO 0.03 -0.16 -0.21 -0.51 -1.57 0.00 0.00 175.55 173.12 1sii s LEU 390 N 0.02 2.25 0.21 -1.29 1.43 -0.55 -1.40 118.68 119.35 1sii s LEU 390 Ca -0.03 -0.50 0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1sii s LEU 390 Cb -0.11 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1sii s LEU 390 CO 0.02 0.16 0.12 -0.31 0.23 0.00 0.00 176.35 176.57 1sii s TYR 391 N 0.34 3.02 0.35 0.29 2.02 -0.08 -0.90 117.35 122.39 1sii s TYR 391 Ca -0.17 -0.10 0.08 0.00 -0.37 0.00 0.00 57.07 56.51 1sii s TYR 391 Cb -0.17 -1.40 0.79 0.00 -0.40 0.00 0.00 41.96 40.78 1sii s TYR 391 CO 0.08 0.53 1.89 -0.07 -1.57 0.00 0.00 175.55 176.41 1sii h LEU 392 N 2.02 0.67 -0.60 -1.29 3.38 -1.83 -1.97 115.31 115.69 1sii h LEU 392 Ca -0.47 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1sii h LEU 392 Cb 1.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1sii h LEU 392 CO 0.61 0.36 0.00 -0.90 0.09 0.00 0.00 178.44 178.60 1sii n ASP 393 N -4.54 0.89 0.00 -0.43 5.75 -1.26 -4.77 116.55 112.18 1sii n ASP 393 Ca 0.16 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1sii n ASP 393 Cb 0.42 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 1sii n ASP 393 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sii n GLY 394 N 0.91 0.29 3.76 6.12 0.00 -0.74 -4.80 105.19 110.74 1sii n GLY 394 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1sii n GLY 394 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sii s THR 395 N -2.00 3.12 -0.09 2.61 2.01 -1.26 -4.51 115.64 115.53 1sii s THR 395 Ca 0.00 1.13 0.03 0.00 0.31 0.00 0.00 61.69 63.16 1sii s THR 395 Cb 0.00 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1sii s THR 395 CO 0.00 0.26 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.38 1sii s ILE 396 N -1.16 2.60 0.02 1.82 1.01 -0.44 -0.90 121.20 124.14 1sii s ILE 396 Ca 0.47 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1sii s ILE 396 Cb -0.35 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1sii s ILE 396 CO 0.46 0.56 -0.04 -0.70 0.00 0.00 0.00 174.94 175.22 1sii s GLU 397 N -0.01 0.31 0.01 2.79 2.12 -0.49 -0.38 118.70 123.05 1sii s GLU 397 Ca -0.06 -0.46 0.08 0.00 0.36 0.00 0.00 54.97 54.88 1sii s GLU 397 Cb -0.15 -0.07 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 1sii s GLU 397 CO 0.05 0.00 -0.23 0.12 -0.54 0.00 0.00 175.26 174.66 1sii s PHE 398 N -0.97 2.43 -0.02 5.30 5.36 -0.70 -0.70 117.98 128.68 1sii s PHE 398 Ca -0.09 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.53 1sii s PHE 398 Cb -0.07 -1.47 0.03 0.00 -0.34 0.00 0.00 43.02 41.17 1sii s PHE 398 CO -0.00 0.12 0.02 -2.00 -1.46 0.00 0.00 175.22 171.90 1sii s GLU 399 N -1.05 -0.02 -0.14 10.12 2.12 0.03 -2.40 118.70 127.37 1sii s GLU 399 Ca 0.12 0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 1sii s GLU 399 Cb -0.10 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.02 1sii s GLU 399 CO 0.02 -0.14 0.10 0.00 -0.54 0.00 0.00 175.26 174.69 1sii s ALA 400 N 0.93 3.65 -0.25 6.30 0.00 0.26 -0.87 121.76 131.78 1sii s ALA 400 Ca -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 1sii s ALA 400 Cb -0.11 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.14 1sii s ALA 400 CO -0.03 0.47 -0.07 0.15 0.00 0.00 0.00 175.76 176.28 1sii s LYS 401 N -0.55 2.73 -0.21 0.00 1.02 -0.06 -2.27 119.74 120.41 1sii s LYS 401 Ca 0.12 -1.04 -0.09 0.00 0.02 0.00 0.00 55.97 54.98 1sii s LYS 401 Cb -0.12 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 1sii s LYS 401 CO 0.02 -0.43 0.10 0.00 -0.92 0.00 0.00 175.35 174.12 1sii s ALA 402 N 1.28 3.47 0.00 5.17 0.00 0.43 -0.46 121.76 131.65 1sii s ALA 402 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1sii s ALA 402 Cb -0.17 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1sii s ALA 402 CO -0.05 0.02 0.00 -2.37 0.00 0.00 0.00 175.76 173.36 1sii n THR 403 N 3.85 0.00 -0.41 0.00 5.66 -0.20 -1.91 114.28 121.28 1sii n THR 403 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1sii n THR 403 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1sii n THR 403 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sii n GLY 404 N 0.00 -0.53 3.39 1.09 0.00 -1.26 -2.44 105.19 105.44 1sii n GLY 404 Ca 0.00 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.90 1sii n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sii s VAL 405 N 0.00 2.85 0.40 1.61 1.01 0.03 -0.81 120.40 125.49 1sii s VAL 405 Ca 0.00 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1sii s VAL 405 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 1sii s VAL 405 CO 0.00 0.56 1.26 -0.69 0.00 0.00 0.00 175.10 176.23 1sii s VAL 406 N -0.22 2.80 0.03 2.92 1.01 -1.26 -4.77 120.40 120.92 1sii s VAL 406 Ca 0.00 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 1sii s VAL 406 Cb -0.13 -3.41 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1sii s VAL 406 CO 0.03 0.09 1.29 0.12 0.00 0.00 0.00 175.10 176.64 1sii s PHE 407 N -1.31 3.19 0.41 5.22 5.36 -1.26 -5.00 117.98 124.59 1sii s PHE 407 Ca 0.57 1.08 0.07 0.00 -0.96 0.00 0.00 56.93 57.69 1sii s PHE 407 Cb -0.36 -3.54 -0.05 0.00 -0.34 0.00 0.00 43.02 38.73 1sii s PHE 407 CO 0.45 -1.84 0.21 0.95 -1.46 0.00 0.00 175.22 173.53 1sii s THR 408 N 1.65 2.34 0.38 0.12 -4.23 -1.26 -4.10 115.64 110.53 1sii s THR 408 Ca 0.61 -1.65 -0.06 0.00 -1.18 0.00 0.00 61.69 59.41 1sii s THR 408 Cb -0.31 -2.99 0.02 0.00 1.34 0.00 0.00 72.50 70.56 1sii s THR 408 CO 0.27 0.00 0.59 -0.94 -0.54 0.00 0.00 174.62 174.00 1sii s SER 409 N -3.93 0.76 0.59 3.99 1.04 -0.49 -4.88 113.70 110.77 1sii s SER 409 Ca 0.42 -1.45 -0.17 0.00 0.48 0.00 0.00 55.95 55.22 1sii s SER 409 Cb 0.03 0.75 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 1sii s SER 409 CO 0.23 -1.47 1.10 0.00 0.98 0.00 0.00 173.24 174.08 1sii s ALA 410 N -2.63 2.65 -0.27 5.32 0.00 -1.26 -0.14 121.76 125.43 1sii s ALA 410 Ca 0.26 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 1sii s ALA 410 Cb -0.02 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1sii s ALA 410 CO 0.19 -0.90 0.21 0.12 0.00 0.00 0.00 175.76 175.38 1sii s PHE 411 N -2.13 3.24 0.33 0.00 5.36 0.00 -4.10 117.98 120.68 1sii s PHE 411 Ca 0.68 0.17 -0.29 0.00 -0.96 0.00 0.00 56.93 56.53 1sii s PHE 411 Cb -0.20 -2.38 -0.10 0.00 -0.34 0.00 0.00 43.02 39.99 1sii s PHE 411 CO 0.33 -0.13 1.37 -2.14 -1.46 0.00 0.00 175.22 173.20 1sii s PRO 412 N 1.67 4.28 0.22 10.12 0.02 -1.26 -4.77 135.00 145.27 1sii s PRO 412 Ca 0.08 2.32 -0.32 0.00 0.02 0.00 0.00 61.00 63.10 1sii s PRO 412 Cb -0.16 -3.05 -0.13 0.00 0.02 0.00 0.00 34.50 31.18 1sii s PRO 412 CO 0.10 -0.31 1.47 -1.91 -0.33 0.00 0.00 177.00 176.02 1sii n GLU 413 N 0.93 2.12 -1.02 5.54 2.13 -1.26 -1.22 120.64 127.87 1sii n GLU 413 Ca 0.01 0.76 -0.01 0.00 0.66 0.00 0.00 57.16 58.58 1sii n GLU 413 Cb 0.41 -2.46 -0.00 0.00 0.27 0.00 0.00 31.44 29.66 1sii n GLU 413 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sii n GLY 414 N 2.53 0.44 1.89 8.31 0.00 -1.26 -4.95 105.19 112.15 1sii n GLY 414 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sii n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sii n GLY 415 N -2.15 -2.59 3.60 -0.02 0.00 -0.35 -5.05 105.19 98.62 1sii n GLY 415 Ca -0.01 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 1sii n GLY 415 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sii s SER 416 N -2.49 -0.72 0.00 1.61 0.15 -1.26 -4.61 113.70 106.37 1sii s SER 416 Ca 0.00 1.33 0.28 0.00 0.70 0.00 0.00 55.95 58.26 1sii s SER 416 Cb 0.00 1.32 1.08 0.00 -1.71 0.00 0.00 66.02 66.71 1sii s SER 416 CO 0.00 -0.29 1.78 0.47 1.20 0.00 0.00 173.24 176.40 1sii n ASP 417 N 2.47 0.46 0.00 5.45 8.00 -1.26 -4.23 116.55 127.44 1sii n ASP 417 Ca -0.15 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1sii n ASP 417 Cb 0.55 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1sii n ASP 417 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1sii n ASN 418 N -1.08 1.14 -3.77 -2.24 4.13 -1.26 -5.05 115.26 107.13 1sii n ASN 418 Ca 0.12 -1.52 -0.13 0.00 1.68 0.00 0.00 54.58 54.73 1sii n ASN 418 Cb 0.30 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.43 1sii n ASN 418 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1sii s ILE 419 N -0.52 -0.00 0.04 2.41 1.01 -1.26 -1.45 121.20 121.43 1sii s ILE 419 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1sii s ILE 419 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1sii s ILE 419 CO 0.00 0.01 0.24 -0.44 0.00 0.00 0.00 174.94 174.74 1sii s SER 420 N 0.27 6.41 -0.07 3.58 0.01 -0.36 -4.55 113.70 118.99 1sii s SER 420 Ca -0.01 0.40 -0.20 0.00 1.31 0.00 0.00 55.95 57.45 1sii s SER 420 Cb -0.03 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.14 1sii s SER 420 CO -0.01 0.19 0.55 -1.58 0.41 0.00 0.00 173.24 172.81 1sii s GLN 421 N -2.22 4.33 -0.08 12.44 0.74 -1.26 -0.38 119.66 133.23 1sii s GLN 421 Ca 0.32 0.61 0.09 0.00 0.05 0.00 0.00 55.36 56.43 1sii s GLN 421 Cb -0.13 -3.40 -0.12 0.00 1.10 0.00 0.00 33.01 30.46 1sii s GLN 421 CO 0.23 0.23 0.07 1.28 -0.55 0.00 0.00 175.29 176.55 1sii n LEU 422 N 3.32 0.00 -3.76 3.68 4.77 -0.05 -4.52 117.00 120.44 1sii n LEU 422 Ca -0.06 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.86 1sii n LEU 422 Cb 0.51 0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 1sii n LEU 422 CO 0.44 0.18 0.59 0.00 -1.33 0.00 0.00 177.39 177.27 1sii s ALA 423 N -2.33 -1.48 -0.10 -1.18 0.00 -1.23 -4.84 121.76 110.60 1sii s ALA 423 Ca -0.04 0.03 -0.31 0.00 0.00 0.00 0.00 51.96 51.63 1sii s ALA 423 Cb 0.04 0.73 -0.09 0.00 0.00 0.00 0.00 23.12 23.80 1sii s ALA 423 CO 0.39 -1.00 2.04 -2.30 0.00 0.00 0.00 175.76 174.89 1sii n PRO 424 N -0.45 2.27 -0.58 0.00 -0.02 -1.26 -1.17 135.00 133.79 1sii n PRO 424 Ca -0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1sii n PRO 424 Cb 0.60 -2.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1sii n PRO 424 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sii n GLY 425 N 5.03 1.84 3.60 -1.23 0.00 -1.26 -4.60 105.19 108.57 1sii n GLY 425 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 1sii n GLY 425 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sii s LEU 426 N 0.00 3.89 0.28 0.99 2.96 -0.31 -0.82 118.68 125.67 1sii s LEU 426 Ca 0.00 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1sii s LEU 426 Cb 0.00 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1sii s LEU 426 CO 0.00 0.06 0.01 -0.83 -1.32 0.00 0.00 176.35 174.27 1sii s GLY 427 N 1.05 1.71 -0.23 7.98 0.00 0.80 -0.88 107.32 117.75 1sii s GLY 427 Ca 0.06 -1.70 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 1sii s GLY 427 CO 0.04 -1.74 0.07 0.00 0.00 0.00 0.00 173.10 171.47 1sii s ALA 428 N -2.35 0.98 0.42 3.20 0.00 0.49 -1.39 121.76 123.10 1sii s ALA 428 Ca 0.32 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 1sii s ALA 428 Cb -0.06 -1.29 -0.10 0.00 0.00 0.00 0.00 23.12 21.68 1sii s ALA 428 CO 0.20 -1.36 1.47 -2.14 0.00 0.00 0.00 175.76 173.93 1sii s PRO 429 N 1.88 3.88 0.54 0.00 0.02 -1.26 -1.23 135.00 138.84 1sii s PRO 429 Ca 0.03 2.53 -0.21 0.00 0.02 0.00 0.00 61.00 63.37 1sii s PRO 429 Cb -0.17 -2.81 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 1sii s PRO 429 CO -0.17 -0.70 1.28 -0.06 -0.33 0.00 0.00 177.00 177.03 1sii s PHE 430 N -1.16 2.42 0.28 6.54 0.08 -0.53 -4.81 117.98 120.82 1sii s PHE 430 Ca 0.57 1.44 -0.20 0.00 0.12 0.00 0.00 56.93 58.86 1sii s PHE 430 Cb -0.46 -3.64 0.05 0.00 -0.57 0.00 0.00 43.02 38.40 1sii s PHE 430 CO 0.61 -2.46 0.82 -3.38 -0.10 0.00 0.00 175.22 170.71 1sii s HIS 431 N -1.41 -0.04 0.18 0.36 -3.43 -0.93 -0.47 115.29 109.55 1sii s HIS 431 Ca 0.71 -0.47 0.07 0.00 -0.80 0.00 0.00 55.06 54.58 1sii s HIS 431 Cb -0.36 0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 31.49 1sii s HIS 431 CO 0.42 -1.25 -0.15 -0.65 -2.00 0.00 0.00 174.74 171.11 1sii s GLN 432 N -3.03 1.26 -0.22 -0.38 -0.21 -0.82 -0.41 119.66 115.86 1sii s GLN 432 Ca 0.14 -1.51 0.01 0.00 0.02 0.00 0.00 55.36 54.02 1sii s GLN 432 Cb -0.04 -1.07 0.05 0.00 1.00 0.00 0.00 33.01 32.94 1sii s GLN 432 CO 0.08 0.19 -0.07 -1.01 -2.12 0.00 0.00 175.29 172.35 1sii s HIS 433 N -2.77 2.37 -0.09 0.91 3.76 0.08 -3.35 115.29 116.20 1sii s HIS 433 Ca 0.19 -1.66 0.03 0.00 -0.15 0.00 0.00 55.06 53.47 1sii s HIS 433 Cb -0.02 -1.58 0.01 0.00 1.11 0.00 0.00 32.58 32.10 1sii s HIS 433 CO 0.06 -0.75 -0.16 0.42 -0.85 0.00 0.00 174.74 173.45 1sii s ILE 434 N 1.41 1.51 0.13 0.60 1.01 0.59 -0.56 121.20 125.89 1sii s ILE 434 Ca -0.04 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 59.99 1sii s ILE 434 Cb -0.18 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1sii s ILE 434 CO -0.07 0.44 0.01 -0.36 0.00 0.00 0.00 174.94 174.96 1sii s PHE 435 N 0.69 2.93 -0.21 3.97 0.40 0.68 -0.19 117.98 126.25 1sii s PHE 435 Ca -0.13 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.14 1sii s PHE 435 Cb -0.16 -1.46 0.04 0.00 0.51 0.00 0.00 43.02 41.95 1sii s PHE 435 CO 0.03 0.50 -0.13 0.45 0.70 0.00 0.00 175.22 176.77 1sii s SER 436 N -2.65 3.65 -0.19 1.36 0.15 -0.40 -1.44 113.70 114.18 1sii s SER 436 Ca 0.27 -0.99 -0.17 0.00 0.70 0.00 0.00 55.95 55.76 1sii s SER 436 Cb -0.10 -1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 62.78 1sii s SER 436 CO 0.19 -0.12 0.46 0.00 1.20 0.00 0.00 173.24 174.96 1sii s ALA 437 N 1.28 3.54 -0.31 5.45 0.00 -0.22 -0.58 121.76 130.92 1sii s ALA 437 Ca -0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 51.96 51.42 1sii s ALA 437 Cb -0.17 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 1sii s ALA 437 CO -0.08 -0.31 0.15 0.50 0.00 0.00 0.00 175.76 176.01 1sii s ARG 438 N 1.34 3.37 -0.39 0.00 3.52 0.72 -1.24 118.95 126.27 1sii s ARG 438 Ca 0.22 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 1sii s ARG 438 Cb -0.15 -3.56 0.11 0.00 -1.56 0.00 0.00 34.95 29.79 1sii s ARG 438 CO 0.09 -0.40 0.13 -0.51 -0.81 0.00 0.00 175.30 173.80 1sii s LEU 439 N 1.62 4.91 -0.78 -0.88 1.43 0.95 -1.89 118.68 124.04 1sii s LEU 439 Ca 0.05 -2.22 -0.26 0.00 -1.03 0.00 0.00 54.13 50.67 1sii s LEU 439 Cb -0.17 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1sii s LEU 439 CO 0.06 -0.42 1.41 -0.62 0.23 0.00 0.00 176.35 177.01 1sii s ASP 440 N 1.10 6.06 0.40 2.29 2.15 -0.00 -0.51 116.67 128.15 1sii s ASP 440 Ca 0.11 -0.52 -0.24 0.00 0.43 0.00 0.00 52.55 52.33 1sii s ASP 440 Cb -0.21 -2.56 -0.09 0.00 -0.30 0.00 0.00 42.92 39.76 1sii s ASP 440 CO -0.06 -1.89 1.04 -0.04 -0.17 0.00 0.00 175.17 174.05 1sii s MET 441 N 5.83 4.17 -0.39 4.34 -1.94 -0.91 -0.29 119.30 130.10 1sii s MET 441 Ca 0.42 1.48 0.11 0.00 -1.71 0.00 0.00 55.69 55.99 1sii s MET 441 Cb -0.07 -2.52 0.36 0.00 2.01 0.00 0.00 34.83 34.61 1sii s MET 441 CO 0.11 -0.13 0.97 0.00 -0.01 0.00 0.00 175.02 175.96 1sii n ALA 442 N -0.10 1.25 -1.80 3.03 0.00 -0.19 -4.54 120.51 118.16 1sii n ALA 442 Ca 0.05 -2.46 -0.41 0.00 0.00 0.00 0.00 53.44 50.62 1sii n ALA 442 Cb 0.50 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1sii n ALA 442 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sii s ILE 443 N -1.34 3.22 -1.34 0.00 -1.09 -1.07 -1.89 121.20 117.69 1sii s ILE 443 Ca 0.30 0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.89 1sii s ILE 443 Cb 0.36 -3.38 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1sii s ILE 443 CO -0.05 -0.29 0.26 0.47 -1.23 0.00 0.00 174.94 174.10 1sii n ASP 444 N 12.23 -4.66 0.00 3.58 8.00 -0.01 -4.51 116.55 131.17 1sii n ASP 444 Ca 0.27 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1sii n ASP 444 Cb 0.49 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.72 1sii n ASP 444 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sii n GLY 445 N -1.09 -0.45 0.07 0.44 0.00 -0.80 -4.87 105.19 98.49 1sii n GLY 445 Ca -0.12 -2.25 0.12 0.00 0.00 0.00 0.00 46.02 43.77 1sii n GLY 445 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sii n PHE 446 N -0.25 0.60 -2.57 1.61 3.72 -1.26 -4.26 117.46 115.04 1sii n PHE 446 Ca 0.00 0.17 -0.41 0.00 -0.05 0.00 0.00 57.45 57.16 1sii n PHE 446 Cb 0.00 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 1sii n PHE 446 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1sii s THR 447 N -3.16 3.93 0.27 4.37 2.01 -1.26 -2.90 115.64 118.91 1sii s THR 447 Ca 0.07 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.38 1sii s THR 447 Cb 0.13 -5.06 -0.05 0.00 0.01 0.00 0.00 72.50 67.53 1sii s THR 447 CO 0.71 -1.94 -0.15 0.20 -0.69 0.00 0.00 174.62 172.75 1sii s ASN 448 N 4.95 3.26 0.11 3.53 0.02 -0.64 -4.07 114.94 122.09 1sii s ASN 448 Ca 0.46 -1.08 -0.05 0.00 -1.02 0.00 0.00 52.86 51.17 1sii s ASN 448 Cb -0.00 -0.25 -0.02 0.00 0.02 0.00 0.00 41.25 41.00 1sii s ASN 448 CO -0.10 -0.10 0.12 0.00 0.02 0.00 0.00 177.10 177.04 1sii s ARG 449 N -3.59 0.88 -0.05 -0.60 1.70 -0.01 -1.19 118.95 116.08 1sii s ARG 449 Ca 0.29 -1.19 0.06 0.00 -0.47 0.00 0.00 55.73 54.42 1sii s ARG 449 Cb -0.02 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1sii s ARG 449 CO 0.13 -0.26 -0.25 0.08 -1.08 0.00 0.00 175.30 173.92 1sii s VAL 450 N -3.95 2.00 0.01 4.99 1.01 -1.26 -0.81 120.40 122.40 1sii s VAL 450 Ca 0.13 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.15 1sii s VAL 450 Cb 0.06 -1.69 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 1sii s VAL 450 CO -0.05 0.56 -0.25 -1.61 0.00 0.00 0.00 175.10 173.75 1sii s GLU 451 N -0.20 1.89 -0.22 2.72 2.02 0.04 -1.10 118.70 123.87 1sii s GLU 451 Ca -0.02 -0.96 -0.18 0.00 0.02 0.00 0.00 54.97 53.82 1sii s GLU 451 Cb -0.13 -1.92 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 1sii s GLU 451 CO 0.03 0.51 0.52 -2.00 0.02 0.00 0.00 175.26 174.34 1sii s GLU 452 N -0.84 4.16 -0.22 1.61 2.12 -0.40 -0.38 118.70 124.75 1sii s GLU 452 Ca 0.10 0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.78 1sii s GLU 452 Cb -0.10 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1sii s GLU 452 CO 0.00 -0.20 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.51 1sii s GLU 453 N 1.81 3.49 0.03 4.30 2.12 0.30 -1.18 118.70 129.57 1sii s GLU 453 Ca 0.23 -0.57 0.06 0.00 0.36 0.00 0.00 54.97 55.05 1sii s GLU 453 Cb -0.15 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.12 1sii s GLU 453 CO 0.09 -0.14 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.00 1sii s ASP 454 N 1.37 3.95 0.41 -1.70 1.01 -0.56 -1.52 116.67 119.63 1sii s ASP 454 Ca 0.04 -0.37 -0.26 0.00 0.71 0.00 0.00 52.55 52.67 1sii s ASP 454 Cb -0.14 -0.70 -0.09 0.00 1.01 0.00 0.00 42.92 43.00 1sii s ASP 454 CO -0.00 0.26 1.34 -0.69 0.21 0.00 0.00 175.17 176.29 1sii s VAL 455 N -0.93 2.46 -0.18 -1.27 1.01 0.14 -1.01 120.40 120.62 1sii s VAL 455 Ca 0.15 0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.56 1sii s VAL 455 Cb -0.11 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1sii s VAL 455 CO 0.06 0.07 -0.18 -0.69 0.00 0.00 0.00 175.10 174.35 1sii s VAL 456 N -1.23 1.98 0.38 2.92 1.01 -0.26 -4.81 120.40 120.39 1sii s VAL 456 Ca 0.57 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1sii s VAL 456 Cb -0.40 -1.84 -0.09 0.00 0.00 0.00 0.00 36.38 34.05 1sii s VAL 456 CO 0.52 0.45 0.83 -0.13 0.00 0.00 0.00 175.10 176.76 1sii s ARG 457 N 1.30 4.03 0.04 2.72 0.52 -1.26 -1.03 118.95 125.27 1sii s ARG 457 Ca 0.03 0.80 0.08 0.00 -0.52 0.00 0.00 55.73 56.12 1sii s ARG 457 Cb -0.14 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 1sii s ARG 457 CO -0.12 0.04 -0.23 -0.65 0.02 0.00 0.00 175.30 174.36 1sii s GLN 458 N -3.26 1.56 0.12 3.54 -0.21 -1.25 -4.93 119.66 115.23 1sii s GLN 458 Ca 0.56 -0.97 -0.23 0.00 0.02 0.00 0.00 55.36 54.75 1sii s GLN 458 Cb -0.10 -1.68 -0.07 0.00 1.00 0.00 0.00 33.01 32.16 1sii s GLN 458 CO 0.19 0.43 0.68 0.99 -2.12 0.00 0.00 175.29 175.47 1sii s THR 459 N -0.76 4.56 0.12 -0.19 2.01 -1.26 -4.87 115.64 115.24 1sii s THR 459 Ca 0.09 1.48 -0.31 0.00 0.31 0.00 0.00 61.69 63.26 1sii s THR 459 Cb -0.09 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 1sii s THR 459 CO 0.02 0.53 1.71 -0.32 -0.69 0.00 0.00 174.62 175.86 1sii s MET 460 N -1.05 4.17 0.00 4.92 1.75 -1.26 -4.77 119.30 123.05 1sii s MET 460 Ca 0.33 2.46 0.00 0.00 -1.25 0.00 0.00 55.69 57.23 1sii s MET 460 Cb -0.21 -3.45 0.00 0.00 2.84 0.00 0.00 34.83 34.00 1sii s MET 460 CO 0.23 -0.75 0.00 0.41 -0.65 0.00 0.00 175.02 174.26 1sii n GLY 461 N 4.03 -0.59 3.66 2.11 0.00 -0.99 -5.00 105.19 108.41 1sii n GLY 461 Ca 0.16 -0.94 -0.52 0.00 0.00 0.00 0.00 46.02 44.72 1sii n GLY 461 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sii n PRO 462 N 0.00 1.50 -0.01 1.61 -0.02 -1.26 -0.14 135.00 136.68 1sii n PRO 462 Ca 0.00 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1sii n PRO 462 Cb 0.00 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 1sii n PRO 462 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sii n GLY 463 N 3.52 1.81 2.60 -1.23 0.00 -1.26 -4.86 105.19 105.77 1sii n GLY 463 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1sii n GLY 463 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1sii n ASN 464 N 0.00 -0.41 0.20 1.61 5.15 0.81 -5.01 115.26 117.61 1sii n ASN 464 Ca 0.00 -2.88 0.04 0.00 -0.60 0.00 0.00 54.58 51.14 1sii n ASN 464 Cb 0.00 0.39 0.41 0.00 -0.53 0.00 0.00 39.78 40.05 1sii n ASN 464 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1sii h GLU 465 N 2.69 0.00 -0.01 1.20 3.07 -1.75 -1.19 114.58 118.59 1sii h GLU 465 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1sii h GLU 465 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1sii h GLU 465 CO 0.26 0.31 -0.28 0.54 -1.40 0.00 0.00 179.01 178.44 1sii n ARG 466 N -4.14 0.87 -2.59 2.33 1.74 -1.26 -4.65 116.66 108.96 1sii n ARG 466 Ca -0.02 -0.53 -0.13 0.00 -0.77 0.00 0.00 57.85 56.40 1sii n ARG 466 Cb 0.36 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 1sii n ARG 466 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sii n GLY 467 N 1.35 -0.03 0.01 -0.13 0.00 -0.49 -4.91 105.19 100.99 1sii n GLY 467 Ca 0.12 -0.29 0.08 0.00 0.00 0.00 0.00 46.02 45.93 1sii n GLY 467 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sii n ASN 468 N -0.58 1.09 -4.77 1.61 6.94 -1.26 -4.88 115.26 113.42 1sii n ASN 468 Ca -0.08 -0.15 -0.39 0.00 -0.02 0.00 0.00 54.58 53.94 1sii n ASN 468 Cb 0.58 1.64 -0.00 0.00 -2.36 0.00 0.00 39.78 39.63 1sii n ASN 468 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1sii s ALA 469 N -3.06 3.14 0.07 -2.53 0.00 -1.26 -5.04 121.76 113.08 1sii s ALA 469 Ca -0.04 1.13 -0.07 0.00 0.00 0.00 0.00 51.96 52.98 1sii s ALA 469 Cb 0.11 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 1sii s ALA 469 CO 0.69 -0.79 0.15 -0.59 0.00 0.00 0.00 175.76 175.23 1sii s PHE 470 N -1.34 0.19 0.00 0.00 -0.12 -1.26 -3.94 117.98 111.50 1sii s PHE 470 Ca 0.59 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1sii s PHE 470 Cb -0.35 -0.11 0.00 0.00 -0.63 0.00 0.00 43.02 41.93 1sii s PHE 470 CO 0.44 -0.48 0.00 0.45 -0.05 0.00 0.00 175.22 175.58 1sii n SER 471 N 0.18 0.00 -3.78 1.98 2.88 -0.19 -5.01 113.62 109.68 1sii n SER 471 Ca -0.16 -0.27 -0.10 0.00 -1.33 0.00 0.00 58.87 57.02 1sii n SER 471 Cb 0.61 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.02 1sii n SER 471 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sii s ARG 472 N 0.20 1.12 0.05 -1.46 1.70 -1.26 -1.10 118.95 118.20 1sii s ARG 472 Ca 0.00 -0.91 0.04 0.00 -0.47 0.00 0.00 55.73 54.39 1sii s ARG 472 Cb 0.00 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1sii s ARG 472 CO 0.00 -0.43 -0.12 -1.59 -1.08 0.00 0.00 175.30 172.08 1sii s LYS 473 N -3.87 0.74 -0.08 3.89 -2.85 -0.18 -4.81 119.74 112.59 1sii s LYS 473 Ca 0.08 -0.83 0.04 0.00 -1.00 0.00 0.00 55.97 54.26 1sii s LYS 473 Cb 0.02 -0.68 0.00 0.00 -2.06 0.00 0.00 37.83 35.11 1sii s LYS 473 CO -0.07 0.15 -0.20 1.03 0.10 0.00 0.00 175.35 176.37 1sii s ARG 474 N -1.51 2.45 -0.23 1.78 0.52 -1.26 -1.50 118.95 119.21 1sii s ARG 474 Ca -0.03 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1sii s ARG 474 Cb -0.09 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.47 1sii s ARG 474 CO 0.01 0.17 -0.13 0.99 0.02 0.00 0.00 175.30 176.36 1sii s THR 475 N 0.33 2.32 0.21 0.02 2.01 -0.33 -4.93 115.64 115.27 1sii s THR 475 Ca -0.14 -1.20 -0.30 0.00 0.31 0.00 0.00 61.69 60.36 1sii s THR 475 Cb -0.16 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 1sii s THR 475 CO 0.06 0.25 1.33 -0.69 -0.69 0.00 0.00 174.62 174.89 1sii s VAL 476 N 1.24 3.11 -0.47 3.82 1.01 -1.26 -1.27 120.40 126.58 1sii s VAL 476 Ca -0.01 0.92 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 1sii s VAL 476 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1sii s VAL 476 CO -0.08 0.14 0.70 -0.76 0.00 0.00 0.00 175.10 175.10 1sii s LEU 477 N -0.15 4.50 -0.11 3.92 1.43 -0.25 -4.94 118.68 123.08 1sii s LEU 477 Ca 0.57 -0.42 0.15 0.00 -1.03 0.00 0.00 54.13 53.40 1sii s LEU 477 Cb -0.37 -2.73 -0.24 0.00 0.03 0.00 0.00 46.19 42.88 1sii s LEU 477 CO 0.39 -0.88 0.43 0.35 0.23 0.00 0.00 176.35 176.86 1sii n THR 478 N 5.90 1.52 -4.06 5.49 -2.24 -1.26 -4.35 114.28 115.29 1sii n THR 478 Ca -0.01 -0.82 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 1sii n THR 478 Cb 0.47 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.79 1sii n THR 478 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1sii s ARG 479 N -2.55 0.53 0.50 -0.78 0.52 -1.26 -1.69 118.95 114.21 1sii s ARG 479 Ca -0.07 -0.99 0.19 0.00 -0.52 0.00 0.00 55.73 54.34 1sii s ARG 479 Cb 0.07 0.09 1.25 0.00 0.52 0.00 0.00 34.95 36.88 1sii s ARG 479 CO 0.83 -0.07 2.05 0.93 0.02 0.00 0.00 175.30 179.06 1sii h GLU 480 N 3.73 0.11 0.00 3.54 5.08 -1.52 -1.48 114.58 124.05 1sii h GLU 480 Ca -0.34 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1sii h GLU 480 Cb 1.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1sii h GLU 480 CO 0.56 0.07 -0.04 0.66 -1.00 0.00 0.00 179.01 179.26 1sii h SER 481 N 0.11 0.00 -0.43 1.42 4.64 -1.87 -2.04 113.55 115.39 1sii h SER 481 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1sii h SER 481 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1sii h SER 481 CO -0.02 0.04 0.00 -1.84 -0.87 0.00 0.00 176.83 174.14 1sii n GLU 482 N -3.32 3.17 -0.60 4.77 0.28 -0.56 -4.62 120.64 119.76 1sii n GLU 482 Ca -0.02 -2.56 0.03 0.00 -0.16 0.00 0.00 57.16 54.44 1sii n GLU 482 Cb 0.18 -1.64 0.23 0.00 1.43 0.00 0.00 31.44 31.64 1sii n GLU 482 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sii n ALA 483 N 0.43 3.56 -3.20 -1.84 0.00 -0.77 -4.86 120.51 113.83 1sii n ALA 483 Ca 0.19 -2.67 -0.40 0.00 0.00 0.00 0.00 53.44 50.56 1sii n ALA 483 Cb 0.72 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 1sii n ALA 483 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sii s VAL 484 N -3.01 4.29 0.11 0.00 1.01 -1.26 -2.13 120.40 119.41 1sii s VAL 484 Ca 0.43 -1.30 0.10 0.00 0.00 0.00 0.00 61.98 61.21 1sii s VAL 484 Cb 0.37 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1sii s VAL 484 CO 0.05 -0.46 -0.24 -0.13 0.00 0.00 0.00 175.10 174.32 1sii s ARG 485 N 1.45 1.32 0.25 2.72 1.81 0.43 -5.00 118.95 121.93 1sii s ARG 485 Ca 0.03 -1.24 0.09 0.00 -1.72 0.00 0.00 55.73 52.88 1sii s ARG 485 Cb -0.22 -1.69 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1sii s ARG 485 CO 0.03 0.40 0.04 -1.83 -0.68 0.00 0.00 175.30 173.27 1sii s GLU 486 N -1.90 2.46 0.66 3.54 -1.05 -1.26 -1.81 118.70 119.35 1sii s GLU 486 Ca 0.11 -1.29 -0.16 0.00 -0.15 0.00 0.00 54.97 53.48 1sii s GLU 486 Cb -0.10 -2.28 0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1sii s GLU 486 CO 0.05 0.39 1.15 0.00 0.95 0.00 0.00 175.26 177.79 1sii s ALA 487 N -2.20 2.39 -0.40 -0.84 0.00 -1.26 -4.93 121.76 114.52 1sii s ALA 487 Ca 0.31 0.72 0.03 0.00 0.00 0.00 0.00 51.96 53.03 1sii s ALA 487 Cb -0.07 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.83 1sii s ALA 487 CO 0.21 -1.39 0.39 0.34 0.00 0.00 0.00 175.76 175.30 1sii s ASP 488 N -2.23 1.15 0.34 0.00 -1.08 -1.26 -5.02 116.67 108.57 1sii s ASP 488 Ca 0.71 -2.15 0.04 0.00 -0.52 0.00 0.00 52.55 50.63 1sii s ASP 488 Cb -0.24 0.30 0.61 0.00 -1.46 0.00 0.00 42.92 42.13 1sii s ASP 488 CO 0.40 -0.21 1.88 0.00 0.52 0.00 0.00 175.17 177.77 1sii h ALA 489 N 6.34 1.39 -0.01 3.66 0.00 -1.94 -2.02 119.26 126.68 1sii h ALA 489 Ca 0.12 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1sii h ALA 489 Cb 1.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sii h ALA 489 CO 0.23 0.43 -0.17 -0.09 0.00 0.00 0.00 179.25 179.65 1sii h ARG 490 N 0.52 0.01 -0.53 0.00 2.43 -1.99 -1.05 114.38 113.76 1sii h ARG 490 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1sii h ARG 490 Cb 0.30 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 1sii h ARG 490 CO 0.01 0.18 0.00 -2.37 -1.51 0.00 0.00 179.97 176.28 1sii n THR 491 N -4.33 1.78 -3.19 0.20 5.66 -1.00 -4.96 114.28 108.44 1sii n THR 491 Ca -0.02 -1.29 -0.23 0.00 -3.05 0.00 0.00 64.05 59.46 1sii n THR 491 Cb 0.24 0.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.19 1sii n THR 491 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sii n GLY 492 N 0.73 -0.52 3.70 1.09 0.00 -0.40 -0.68 105.19 109.12 1sii n GLY 492 Ca 0.23 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1sii n GLY 492 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1sii s ARG 493 N -5.88 4.23 0.37 1.61 3.52 -0.80 -4.54 118.95 117.47 1sii s ARG 493 Ca 0.39 2.26 0.04 0.00 -0.13 0.00 0.00 55.73 58.29 1sii s ARG 493 Cb -0.17 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1sii s ARG 493 CO 0.48 -0.62 0.13 0.95 -0.81 0.00 0.00 175.30 175.43 1sii s THR 494 N 1.81 0.62 -0.06 4.11 -4.23 -0.57 -4.76 115.64 112.55 1sii s THR 494 Ca 0.70 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.23 1sii s THR 494 Cb -0.40 -2.46 0.01 0.00 1.34 0.00 0.00 72.50 71.00 1sii s THR 494 CO 0.31 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 174.53 1sii s TRP 495 N -3.32 1.44 -0.21 3.99 0.51 -1.17 -0.54 118.94 119.63 1sii s TRP 495 Ca 0.29 -0.52 -0.07 0.00 -2.12 0.00 0.00 56.10 53.67 1sii s TRP 495 Cb 0.04 -1.05 -0.04 0.00 -0.81 0.00 0.00 33.47 31.61 1sii s TRP 495 CO 0.16 -0.27 0.06 0.42 -0.51 0.00 0.00 176.95 176.81 1sii s ILE 496 N 0.65 4.54 -0.27 2.03 1.01 0.49 -0.24 121.20 129.41 1sii s ILE 496 Ca -0.14 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 1sii s ILE 496 Cb -0.16 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1sii s ILE 496 CO 0.04 0.40 0.25 -0.63 0.00 0.00 0.00 174.94 174.99 1sii s ILE 497 N 0.99 5.27 0.28 2.92 1.09 0.23 -0.78 121.20 131.21 1sii s ILE 497 Ca 0.04 0.31 0.03 0.00 -1.10 0.00 0.00 60.65 59.93 1sii s ILE 497 Cb -0.14 -3.59 -0.06 0.00 -1.06 0.00 0.00 42.46 37.62 1sii s ILE 497 CO 0.03 0.23 0.04 -0.94 -0.10 0.00 0.00 174.94 174.19 1sii s SER 498 N 1.64 2.00 -0.33 3.58 1.04 0.01 -0.86 113.70 120.77 1sii s SER 498 Ca 0.10 -1.31 -0.02 0.00 0.48 0.00 0.00 55.95 55.20 1sii s SER 498 Cb -0.16 -0.01 0.07 0.00 0.10 0.00 0.00 66.02 66.02 1sii s SER 498 CO 0.10 -0.58 0.07 0.21 0.98 0.00 0.00 173.24 174.02 1sii s ASN 499 N -3.39 5.03 0.34 7.02 3.84 -0.55 -0.83 114.94 126.40 1sii s ASN 499 Ca 0.33 -1.50 0.25 0.00 0.21 0.00 0.00 52.86 52.16 1sii s ASN 499 Cb 0.07 -1.76 1.19 0.00 -0.55 0.00 0.00 41.25 40.21 1sii s ASN 499 CO 0.13 -0.35 1.76 1.55 -2.79 0.00 0.00 177.10 177.40 1sii h PRO 500 N 8.02 0.00 -0.11 0.43 0.13 -1.88 -2.47 132.00 136.12 1sii h PRO 500 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1sii h PRO 500 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1sii h PRO 500 CO 0.58 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.74 1sii n GLU 501 N -2.38 2.14 -3.93 0.86 1.02 -1.26 -4.84 120.64 112.24 1sii n GLU 501 Ca 0.00 -1.91 -0.30 0.00 -0.02 0.00 0.00 57.16 54.93 1sii n GLU 501 Cb 0.15 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.98 1sii n GLU 501 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sii s SER 502 N -1.72 3.83 0.07 1.62 0.15 -0.93 -5.12 113.70 111.60 1sii s SER 502 Ca 0.28 -1.18 0.03 0.00 0.70 0.00 0.00 55.95 55.78 1sii s SER 502 Cb 0.19 -1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 1sii s SER 502 CO 0.28 -0.24 0.05 -0.54 1.20 0.00 0.00 173.24 173.99 1sii s LYS 503 N 1.41 2.82 0.64 5.44 -0.14 -1.26 -1.43 119.74 127.22 1sii s LYS 503 Ca -0.05 -0.69 -0.10 0.00 -1.36 0.00 0.00 55.97 53.76 1sii s LYS 503 Cb -0.19 -2.69 0.15 0.00 -1.68 0.00 0.00 37.83 33.41 1sii s LYS 503 CO -0.07 0.57 0.87 0.27 -0.76 0.00 0.00 175.35 176.24 1sii n ASN 504 N 0.65 0.13 0.27 2.83 0.23 0.17 -4.86 115.26 114.69 1sii n ASN 504 Ca -0.10 -1.35 0.18 0.00 -0.53 0.00 0.00 54.58 52.77 1sii n ASN 504 Cb 0.52 -0.66 0.85 0.00 -2.08 0.00 0.00 39.78 38.41 1sii n ASN 504 CO 0.00 0.00 0.00 0.08 -0.93 0.00 0.00 177.26 176.41 1sii h ARG 505 N 0.00 0.00 -0.55 -3.83 0.11 -1.90 -0.76 114.38 107.45 1sii h ARG 505 Ca -0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.80 1sii h ARG 505 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1sii h ARG 505 CO 0.20 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.55 1sii n LEU 506 N -2.88 2.87 -1.76 0.08 4.77 -1.26 -4.93 117.00 113.89 1sii n LEU 506 Ca -0.01 -1.44 -0.17 0.00 -0.03 0.00 0.00 56.01 54.36 1sii n LEU 506 Cb 0.18 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.84 1sii n LEU 506 CO 0.22 0.55 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.43 1sii n ASN 507 N 0.66 -4.97 -4.61 -1.43 5.15 -0.29 -5.03 115.26 104.73 1sii n ASN 507 Ca 0.15 0.09 -0.34 0.00 -0.60 0.00 0.00 54.58 53.89 1sii n ASN 507 Cb 0.52 -4.04 -0.11 0.00 -0.53 0.00 0.00 39.78 35.63 1sii n ASN 507 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1sii s GLU 508 N -4.48 2.79 0.23 1.20 0.41 -1.26 -4.86 118.70 112.73 1sii s GLU 508 Ca 0.00 -0.53 -0.32 0.00 -0.41 0.00 0.00 54.97 53.72 1sii s GLU 508 Cb 0.00 -2.64 -0.13 0.00 -1.78 0.00 0.00 34.13 29.58 1sii s GLU 508 CO 0.00 0.67 1.48 -2.30 -0.49 0.00 0.00 175.26 174.61 1sii n PRO 509 N 2.11 2.16 -2.22 0.39 -0.02 -1.26 -0.65 135.00 135.50 1sii n PRO 509 Ca -0.18 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.70 1sii n PRO 509 Cb 0.53 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1sii n PRO 509 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1sii s VAL 510 N 0.18 3.02 0.27 -1.45 -7.23 -0.51 -4.81 120.40 109.87 1sii s VAL 510 Ca 0.70 0.79 -0.20 0.00 -1.81 0.00 0.00 61.98 61.47 1sii s VAL 510 Cb -0.63 -3.42 0.02 0.00 0.56 0.00 0.00 36.38 32.91 1sii s VAL 510 CO 0.47 0.02 0.68 -0.83 -0.31 0.00 0.00 175.10 175.12 1sii s GLY 511 N -1.25 0.02 -0.01 2.32 0.00 -1.05 -1.48 107.32 105.87 1sii s GLY 511 Ca 0.62 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.96 1sii s GLY 511 CO 0.37 -0.18 -0.08 -0.19 0.00 0.00 0.00 173.10 173.02 1sii s TYR 512 N -3.94 0.76 -0.21 1.90 1.51 -0.04 -0.59 117.35 116.75 1sii s TYR 512 Ca 0.13 -0.16 -0.06 0.00 -1.01 0.00 0.00 57.07 55.97 1sii s TYR 512 Cb -0.05 -0.52 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 1sii s TYR 512 CO 0.07 -0.04 0.04 0.21 -1.11 0.00 0.00 175.55 174.71 1sii s LYS 513 N -0.01 3.73 -0.22 -0.62 2.20 0.42 -0.60 119.74 124.64 1sii s LYS 513 Ca 0.00 -0.46 -0.22 0.00 -0.36 0.00 0.00 55.97 54.94 1sii s LYS 513 Cb -0.05 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1sii s LYS 513 CO -0.00 0.05 0.70 -1.17 -0.36 0.00 0.00 175.35 174.56 1sii s LEU 514 N 0.95 4.10 -0.32 5.43 2.96 0.67 -1.20 118.68 131.27 1sii s LEU 514 Ca 0.03 0.87 -0.07 0.00 -0.22 0.00 0.00 54.13 54.74 1sii s LEU 514 Cb -0.14 -2.98 0.02 0.00 0.50 0.00 0.00 46.19 43.59 1sii s LEU 514 CO 0.02 -0.38 0.10 -1.00 -1.32 0.00 0.00 176.35 173.78 1sii s HIS 515 N 2.36 3.20 0.43 5.38 3.76 0.11 -3.04 115.29 127.49 1sii s HIS 515 Ca 0.30 -1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.02 1sii s HIS 515 Cb -0.16 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1sii s HIS 515 CO 0.09 -0.65 0.68 0.00 -0.85 0.00 0.00 174.74 174.01 1sii s ALA 516 N 1.46 3.58 -0.96 -1.40 0.00 -1.26 -2.23 121.76 120.95 1sii s ALA 516 Ca 0.01 -0.80 0.27 0.00 0.00 0.00 0.00 51.96 51.44 1sii s ALA 516 Cb -0.18 -2.31 0.82 0.00 0.00 0.00 0.00 23.12 21.44 1sii s ALA 516 CO 0.03 -0.27 1.64 0.72 0.00 0.00 0.00 175.76 177.88 1sii n HIS 517 N -2.07 0.08 -3.34 0.00 8.25 -1.26 -4.96 115.22 111.92 1sii n HIS 517 Ca -0.01 0.02 -0.24 0.00 -0.26 0.00 0.00 57.72 57.24 1sii n HIS 517 Cb 0.56 -0.42 0.05 0.00 1.12 0.00 0.00 29.99 31.30 1sii n HIS 517 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1sii n ASN 518 N -1.58 -5.97 -4.82 0.41 3.02 -1.26 -5.00 115.26 100.06 1sii n ASN 518 Ca 0.06 -0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 53.86 1sii n ASN 518 Cb 0.35 -4.77 0.03 0.00 -0.61 0.00 0.00 39.78 34.78 1sii n ASN 518 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1sii s GLN 519 N -6.04 3.18 0.48 3.52 -1.52 -1.26 -4.99 119.66 113.04 1sii s GLN 519 Ca 0.45 1.00 -0.24 0.00 -1.95 0.00 0.00 55.36 54.62 1sii s GLN 519 Cb -0.20 -2.02 -0.08 0.00 -0.22 0.00 0.00 33.01 30.49 1sii s GLN 519 CO 0.56 -0.90 1.31 -2.30 -0.25 0.00 0.00 175.29 173.70 1sii n PRO 520 N -2.69 1.84 -0.24 2.91 -0.02 -1.26 -4.84 135.00 130.69 1sii n PRO 520 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1sii n PRO 520 Cb 0.53 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1sii n PRO 520 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sii n THR 521 N -0.59 0.00 -1.68 3.45 -2.24 -1.26 -4.59 114.28 107.37 1sii n THR 521 Ca 0.08 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.42 1sii n THR 521 Cb 0.42 -1.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.05 1sii n THR 521 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1sii n LEU 522 N 0.00 3.68 0.09 3.22 7.94 -0.18 -4.89 117.00 126.87 1sii n LEU 522 Ca 0.00 1.01 0.11 0.00 -1.11 0.00 0.00 56.01 56.02 1sii n LEU 522 Cb 0.00 -1.48 -0.01 0.00 0.53 0.00 0.00 43.42 42.45 1sii n LEU 522 CO 0.00 0.01 -0.03 0.18 -1.11 0.00 0.00 177.39 176.44 1sii n LEU 523 N 5.12 0.81 -4.56 -1.96 4.77 -1.26 -4.84 117.00 115.08 1sii n LEU 523 Ca 0.18 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 56.10 1sii n LEU 523 Cb 0.33 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1sii n LEU 523 CO 0.66 -0.16 0.38 0.00 -1.33 0.00 0.00 177.39 176.94 1sii n ALA 524 N -2.20 -0.29 -1.63 -1.18 0.00 -1.26 -4.89 120.51 109.07 1sii n ALA 524 Ca -0.01 -0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 1sii n ALA 524 Cb 0.57 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 1sii n ALA 524 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1sii n ASP 525 N -0.33 1.80 0.32 0.00 -0.08 -1.26 -4.87 116.55 112.13 1sii n ASP 525 Ca 0.13 1.19 0.19 0.00 -1.51 0.00 0.00 54.79 54.79 1sii n ASP 525 Cb 0.47 -1.35 1.06 0.00 2.34 0.00 0.00 41.12 43.64 1sii n ASP 525 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1sii h PRO 526 N 2.28 0.00 -0.06 -0.67 0.13 -1.97 -1.66 132.00 130.05 1sii h PRO 526 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1sii h PRO 526 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1sii h PRO 526 CO 0.62 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.80 1sii n GLY 527 N -1.21 -0.37 3.83 1.56 0.00 -1.26 -4.64 105.19 103.11 1sii n GLY 527 Ca -0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 1sii n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sii s SER 528 N -1.74 5.42 0.16 1.61 1.04 -0.62 -4.96 113.70 114.61 1sii s SER 528 Ca 0.35 1.51 -0.15 0.00 0.48 0.00 0.00 55.95 58.14 1sii s SER 528 Cb 0.18 -2.40 0.07 0.00 0.10 0.00 0.00 66.02 63.97 1sii s SER 528 CO 0.28 -1.40 1.77 -1.28 0.98 0.00 0.00 173.24 173.59 1sii h SER 529 N -0.69 0.22 -0.16 7.02 0.87 -1.89 -2.75 113.55 116.17 1sii h SER 529 Ca -0.44 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 1sii h SER 529 Cb 1.22 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1sii h SER 529 CO 0.58 0.17 -0.13 -0.29 -0.53 0.00 0.00 176.83 176.63 1sii h ILE 530 N 0.35 1.24 -0.13 2.23 6.09 -1.92 -0.35 117.51 125.01 1sii h ILE 530 Ca 0.17 -1.05 -0.03 0.00 -1.37 0.00 0.00 64.86 62.58 1sii h ILE 530 Cb 0.12 1.14 -0.01 0.00 0.47 0.00 0.00 36.82 38.54 1sii h ILE 530 CO -0.15 0.34 -0.06 0.00 -3.07 0.00 0.00 178.15 175.21 1sii h ALA 531 N 1.38 1.65 0.24 0.18 0.00 -1.73 0.22 119.26 121.19 1sii h ALA 531 Ca 0.09 -0.14 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1sii h ALA 531 Cb 0.51 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.27 1sii h ALA 531 CO 0.03 0.26 -1.46 0.00 0.00 0.00 0.00 179.25 178.08 1sii h ARG 532 N 0.19 0.51 0.00 0.00 3.08 -1.15 -2.76 114.38 114.26 1sii h ARG 532 Ca 0.04 -0.87 -0.18 0.00 0.07 0.00 0.00 59.98 59.04 1sii h ARG 532 Cb 0.24 0.32 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1sii h ARG 532 CO 0.01 1.42 -0.85 0.00 -1.07 0.00 0.00 179.97 179.48 1sii h ARG 533 N 0.14 0.00 -1.58 0.04 3.08 -0.81 -3.23 114.38 112.02 1sii h ARG 533 Ca -0.25 -0.01 -0.62 0.00 0.07 0.00 0.00 59.98 59.18 1sii h ARG 533 Cb 2.15 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.81 1sii h ARG 533 CO 0.27 0.85 -0.37 0.00 -1.07 0.00 0.00 179.97 179.65 1sii n ALA 534 N -2.38 5.36 -0.24 0.04 0.00 0.73 -4.84 120.51 119.19 1sii n ALA 534 Ca -0.01 -4.27 0.09 0.00 0.00 0.00 0.00 53.44 49.26 1sii n ALA 534 Cb 0.81 -0.82 0.35 0.00 0.00 0.00 0.00 19.45 19.79 1sii n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sii h ALA 535 N 2.64 1.75 -0.86 0.00 0.00 -1.50 -0.74 119.26 120.55 1sii h ALA 535 Ca 0.36 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.46 1sii h ALA 535 Cb 0.77 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1sii h ALA 535 CO 0.97 0.07 0.57 0.27 0.00 0.00 0.00 179.25 181.13 1sii h PHE 536 N 0.75 0.46 0.00 0.00 -0.00 -1.87 -1.81 116.94 114.48 1sii h PHE 536 Ca 0.39 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.37 1sii h PHE 536 Cb 0.48 -0.14 0.00 0.00 -0.00 0.00 0.00 35.95 36.29 1sii h PHE 536 CO -0.00 0.13 0.00 0.00 -0.00 0.00 0.00 178.31 178.44 1sii n ALA 537 N -2.54 2.17 0.92 12.09 0.00 -0.28 -3.11 120.51 129.75 1sii n ALA 537 Ca 0.18 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1sii n ALA 537 Cb 0.68 -1.40 0.47 0.00 0.00 0.00 0.00 19.45 19.20 1sii n ALA 537 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sii n THR 538 N -1.45 0.11 -4.07 0.00 -2.24 -0.68 -1.01 114.28 104.94 1sii n THR 538 Ca 0.07 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1sii n THR 538 Cb 0.27 -0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.07 1sii n THR 538 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sii s LYS 539 N -3.03 0.49 0.23 -0.78 -0.14 -1.18 -4.77 119.74 110.56 1sii s LYS 539 Ca 0.12 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 54.16 1sii s LYS 539 Cb 0.17 -0.29 0.21 0.00 -1.68 0.00 0.00 37.83 36.24 1sii s LYS 539 CO 0.59 0.05 1.52 -0.44 -0.76 0.00 0.00 175.35 176.32 1sii h ASP 540 N 4.78 0.10 -3.48 2.83 5.19 -1.69 -3.39 116.42 120.76 1sii h ASP 540 Ca -0.34 -0.07 -0.16 0.00 -0.62 0.00 0.00 57.03 55.84 1sii h ASP 540 Cb 1.20 -0.03 -0.27 0.00 0.18 0.00 0.00 39.33 40.41 1sii h ASP 540 CO 0.42 0.77 -0.40 -0.22 -3.12 0.00 0.00 179.24 176.69 1sii s LEU 541 N -7.54 0.43 0.05 1.55 2.96 -0.75 -1.24 118.68 114.14 1sii s LEU 541 Ca -0.02 0.64 0.06 0.00 -0.22 0.00 0.00 54.13 54.60 1sii s LEU 541 Cb 0.12 0.99 -0.03 0.00 0.50 0.00 0.00 46.19 47.77 1sii s LEU 541 CO 0.79 -0.15 -0.18 0.26 -1.32 0.00 0.00 176.35 175.75 1sii s TRP 542 N 0.93 1.54 -0.10 5.38 0.52 -0.31 -0.43 118.94 126.46 1sii s TRP 542 Ca -0.06 -0.38 0.01 0.00 0.02 0.00 0.00 56.10 55.69 1sii s TRP 542 Cb -0.07 -0.90 0.02 0.00 -1.15 0.00 0.00 33.47 31.36 1sii s TRP 542 CO -0.07 0.08 -0.12 0.08 0.02 0.00 0.00 176.95 176.95 1sii s VAL 543 N -0.90 1.28 0.25 4.03 1.01 -0.90 -0.69 120.40 124.47 1sii s VAL 543 Ca 0.04 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.64 1sii s VAL 543 Cb -0.09 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1sii s VAL 543 CO 0.02 0.40 -0.14 0.42 0.00 0.00 0.00 175.10 175.80 1sii s THR 544 N 1.18 2.82 0.18 3.92 -4.23 -0.19 -4.68 115.64 114.63 1sii s THR 544 Ca -0.04 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.07 1sii s THR 544 Cb -0.14 -2.45 -0.08 0.00 1.34 0.00 0.00 72.50 71.17 1sii s THR 544 CO -0.03 -0.30 1.12 -0.60 -0.54 0.00 0.00 174.62 174.27 1sii s ARG 545 N -3.31 4.57 0.29 3.99 6.06 -1.26 -0.92 118.95 128.37 1sii s ARG 545 Ca 0.28 1.76 -0.30 0.00 -2.50 0.00 0.00 55.73 54.97 1sii s ARG 545 Cb -0.06 -3.27 -0.11 0.00 0.06 0.00 0.00 34.95 31.57 1sii s ARG 545 CO 0.15 0.03 1.56 -0.47 -2.50 0.00 0.00 175.30 174.08 1sii s TYR 546 N -0.20 2.78 -0.06 5.12 5.04 0.02 -4.84 117.35 125.21 1sii s TYR 546 Ca 0.50 0.85 -0.05 0.00 -2.44 0.00 0.00 57.07 55.93 1sii s TYR 546 Cb -0.30 -4.03 0.02 0.00 0.35 0.00 0.00 41.96 38.00 1sii s TYR 546 CO 0.35 -3.41 0.16 0.00 -1.34 0.00 0.00 175.55 171.32 1sii s ALA 547 N -0.09 -0.39 0.36 3.97 0.00 -1.26 -5.02 121.76 119.33 1sii s ALA 547 Ca 0.62 0.49 0.37 0.00 0.00 0.00 0.00 51.96 53.44 1sii s ALA 547 Cb -0.47 -0.29 1.80 0.00 0.00 0.00 0.00 23.12 24.16 1sii s ALA 547 CO 0.48 -0.09 2.15 0.38 0.00 0.00 0.00 175.76 178.69 1sii h ASP 548 N 6.03 0.00 -0.37 0.00 3.04 -2.04 -2.34 116.42 120.75 1sii h ASP 548 Ca -0.27 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1sii h ASP 548 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1sii h ASP 548 CO 0.41 0.02 0.00 -0.90 -2.04 0.00 0.00 179.24 176.72 1sii n ASP 549 N -3.15 2.96 -4.26 4.15 5.75 -1.26 -4.68 116.55 116.06 1sii n ASP 549 Ca -0.01 -1.93 -0.42 0.00 -0.01 0.00 0.00 54.79 52.42 1sii n ASP 549 Cb 0.21 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1sii n ASP 549 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1sii s GLU 550 N -1.53 3.83 -0.24 0.11 2.02 -0.88 -4.82 118.70 117.19 1sii s GLU 550 Ca 0.37 -3.18 0.04 0.00 0.02 0.00 0.00 54.97 52.22 1sii s GLU 550 Cb 0.21 -4.33 -0.19 0.00 0.10 0.00 0.00 34.13 29.92 1sii s GLU 550 CO 0.29 -1.25 -0.14 0.54 0.02 0.00 0.00 175.26 174.72 1sii n ARG 551 N 2.68 0.66 -4.55 1.61 1.74 -1.26 -4.81 116.66 112.73 1sii n ARG 551 Ca 0.22 0.14 -0.24 0.00 -0.77 0.00 0.00 57.85 57.20 1sii n ARG 551 Cb 0.39 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.16 1sii n ARG 551 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1sii s TYR 552 N -2.52 1.68 -0.69 -1.55 2.02 -1.26 -4.92 117.35 110.10 1sii s TYR 552 Ca -0.30 -0.37 0.20 0.00 -0.37 0.00 0.00 57.07 56.23 1sii s TYR 552 Cb 0.08 -0.99 0.85 0.00 -0.40 0.00 0.00 41.96 41.50 1sii s TYR 552 CO 0.65 0.09 1.62 -0.35 -1.57 0.00 0.00 175.55 175.99 1sii n PRO 553 N 1.81 0.12 -0.16 -1.71 -0.04 -1.26 -2.05 135.00 131.71 1sii n PRO 553 Ca -0.18 0.35 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 1sii n PRO 553 Cb 0.54 -1.73 0.14 0.00 -0.04 0.00 0.00 33.50 32.41 1sii n PRO 553 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sii n THR 554 N -1.95 0.99 -0.97 0.52 -2.24 -1.26 -1.20 114.28 108.16 1sii n THR 554 Ca 0.03 -0.99 0.04 0.00 -2.27 0.00 0.00 64.05 60.85 1sii n THR 554 Cb 0.21 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 1sii n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sii n GLY 555 N 0.44 -2.13 0.16 3.38 0.00 -0.87 -4.42 105.19 101.74 1sii n GLY 555 Ca 0.11 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.58 1sii n GLY 555 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sii h ASP 556 N -0.26 0.45 -3.56 1.61 3.32 -1.92 -3.42 116.42 112.65 1sii h ASP 556 Ca 0.01 -0.34 -0.63 0.00 0.02 0.00 0.00 57.03 56.08 1sii h ASP 556 Cb 0.25 -0.14 -0.39 0.00 0.22 0.00 0.00 39.33 39.27 1sii h ASP 556 CO 0.00 1.12 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.53 1sii s PHE 557 N -3.37 3.01 -0.14 4.55 0.08 -1.26 -4.97 117.98 115.87 1sii s PHE 557 Ca -0.05 -2.45 0.07 0.00 0.12 0.00 0.00 56.93 54.62 1sii s PHE 557 Cb 0.10 -2.34 -0.23 0.00 -0.57 0.00 0.00 43.02 39.97 1sii s PHE 557 CO 0.85 -0.90 0.27 0.28 -0.10 0.00 0.00 175.22 175.62 1sii n VAL 558 N 4.48 1.57 -1.66 -0.44 0.31 -1.26 -4.53 118.33 116.80 1sii n VAL 558 Ca -0.01 -0.74 -0.45 0.00 -0.01 0.00 0.00 64.34 63.13 1sii n VAL 558 Cb 0.42 -1.13 -0.04 0.00 -0.91 0.00 0.00 33.84 32.19 1sii n VAL 558 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1sii n ASN 559 N -3.11 3.77 -3.36 4.52 5.15 -1.25 -1.85 115.26 119.12 1sii n ASN 559 Ca -0.30 0.84 -0.24 0.00 -0.60 0.00 0.00 54.58 54.28 1sii n ASN 559 Cb 1.07 -1.47 0.03 0.00 -0.53 0.00 0.00 39.78 38.88 1sii n ASN 559 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sii n GLN 560 N 7.38 -5.18 -4.44 1.20 6.02 -1.26 -1.33 117.38 119.76 1sii n GLN 560 Ca 0.23 0.74 -0.33 0.00 -0.01 0.00 0.00 57.00 57.62 1sii n GLN 560 Cb 0.37 -5.61 -0.15 0.00 1.02 0.00 0.00 30.24 25.87 1sii n GLN 560 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1sii s HIS 561 N -3.17 2.78 1.21 1.08 2.46 -0.77 -4.54 115.29 114.34 1sii s HIS 561 Ca 0.44 -1.14 -0.19 0.00 0.47 0.00 0.00 55.06 54.64 1sii s HIS 561 Cb -0.21 -1.90 0.29 0.00 -0.13 0.00 0.00 32.58 30.63 1sii s HIS 561 CO 0.54 -0.54 1.11 -1.54 -2.47 0.00 0.00 174.74 171.84 1sii s SER 562 N 0.92 0.86 0.95 9.88 1.04 -1.26 -4.89 113.70 121.20 1sii s SER 562 Ca -0.03 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 56.91 1sii s SER 562 Cb -0.15 -0.88 0.07 0.00 0.10 0.00 0.00 66.02 65.16 1sii s SER 562 CO -0.02 -4.16 0.59 0.61 0.98 0.00 0.00 173.24 171.24 1sii n GLY 563 N -0.89 -1.61 0.00 7.32 0.00 -1.26 -4.58 105.19 104.16 1sii n GLY 563 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1sii n GLY 563 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sii n GLY 564 N 1.20 1.12 0.99 -0.02 0.00 -1.26 -5.07 105.19 102.14 1sii n GLY 564 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1sii n GLY 564 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sii n ALA 565 N 0.00 0.14 -0.34 4.61 0.00 -1.26 -4.78 120.51 118.88 1sii n ALA 565 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1sii n ALA 565 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1sii n ALA 565 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sii n GLY 566 N 2.52 -0.83 0.26 0.00 0.00 -1.26 -4.28 105.19 101.60 1sii n GLY 566 Ca -0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 1sii n GLY 566 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sii h LEU 567 N 0.00 0.57 -1.58 0.99 3.38 -1.40 -0.80 115.31 116.46 1sii h LEU 567 Ca 0.00 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1sii h LEU 567 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1sii h LEU 567 CO 0.00 0.36 0.30 -0.65 0.09 0.00 0.00 178.44 178.54 1sii h PRO 568 N 0.70 0.55 -0.08 1.13 0.11 -1.85 -1.69 132.00 130.87 1sii h PRO 568 Ca 0.31 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 66.19 1sii h PRO 568 Cb 0.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.18 1sii h PRO 568 CO -0.19 0.36 -0.75 0.66 -0.21 0.00 0.00 178.00 177.87 1sii h SER 569 N 0.56 0.53 -0.28 -2.05 4.64 -1.36 -3.15 113.55 112.45 1sii h SER 569 Ca 0.17 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1sii h SER 569 Cb 0.01 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1sii h SER 569 CO -0.04 1.11 0.07 1.88 -0.87 0.00 0.00 176.83 178.98 1sii h TYR 570 N 0.30 0.46 0.00 4.77 0.05 -0.59 -3.20 116.97 118.76 1sii h TYR 570 Ca -0.04 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1sii h TYR 570 Cb 1.34 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.95 1sii h TYR 570 CO 0.05 0.51 0.00 -0.84 -1.05 0.00 0.00 178.16 176.83 1sii h ILE 571 N 0.28 0.00 -0.13 -2.88 3.07 -1.43 -2.95 117.51 113.47 1sii h ILE 571 Ca 0.09 -0.57 0.04 0.00 1.55 0.00 0.00 64.86 65.96 1sii h ILE 571 Cb 0.28 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 1sii h ILE 571 CO 0.00 0.00 0.21 0.00 -1.05 0.00 0.00 178.15 177.31 1sii h ALA 572 N 2.24 1.61 0.00 0.16 0.00 -1.53 -0.42 119.26 121.31 1sii h ALA 572 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sii h ALA 572 Cb 0.69 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1sii h ALA 572 CO 0.00 -0.28 -0.02 1.96 0.00 0.00 0.00 179.25 180.91 1sii h GLN 573 N 0.00 0.00 -6.23 0.00 4.20 -1.69 -3.47 115.11 107.92 1sii h GLN 573 Ca 0.06 0.00 -0.46 0.00 0.06 0.00 0.00 58.65 58.32 1sii h GLN 573 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1sii h GLN 573 CO -0.00 0.02 -0.79 -3.47 -0.67 0.00 0.00 178.83 173.92 1sii n ASP 574 N -3.17 -3.29 -4.81 1.46 2.03 -0.17 -4.94 116.55 103.66 1sii n ASP 574 Ca -0.01 -0.80 -0.33 0.00 0.52 0.00 0.00 54.79 54.17 1sii n ASP 574 Cb 0.21 -3.91 0.01 0.00 -0.72 0.00 0.00 41.12 36.71 1sii n ASP 574 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1sii s ARG 575 N -6.39 3.38 0.09 -0.67 0.52 -1.26 -4.45 118.95 110.17 1sii s ARG 575 Ca 0.40 1.16 -0.31 0.00 -0.52 0.00 0.00 55.73 56.46 1sii s ARG 575 Cb -0.20 -2.04 -0.08 0.00 0.52 0.00 0.00 34.95 33.15 1sii s ARG 575 CO 0.83 -0.76 1.52 0.34 0.02 0.00 0.00 175.30 177.25 1sii s ASP 576 N -2.87 6.69 -0.07 0.23 2.15 -1.26 -1.61 116.67 119.93 1sii s ASP 576 Ca 0.63 2.42 0.10 0.00 0.43 0.00 0.00 52.55 56.13 1sii s ASP 576 Cb -0.15 -2.58 0.16 0.00 -0.30 0.00 0.00 42.92 40.05 1sii s ASP 576 CO 0.37 -0.79 1.06 2.30 -0.17 0.00 0.00 175.17 177.94 1sii n ILE 577 N 4.34 1.34 -3.25 4.11 -5.35 -0.68 -4.80 119.36 115.06 1sii n ILE 577 Ca 0.14 -1.54 -0.46 0.00 -0.27 0.00 0.00 62.75 60.61 1sii n ILE 577 Cb 0.41 0.12 -0.02 0.00 -1.74 0.00 0.00 39.64 38.41 1sii n ILE 577 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1sii s ASP 578 N -1.97 6.71 0.00 7.28 -1.08 -1.20 -4.26 116.67 122.15 1sii s ASP 578 Ca 0.17 -2.52 0.00 0.00 -0.52 0.00 0.00 52.55 49.68 1sii s ASP 578 Cb 0.15 -2.25 0.00 0.00 -1.46 0.00 0.00 42.92 39.37 1sii s ASP 578 CO 0.02 -0.68 0.00 0.61 0.52 0.00 0.00 175.17 175.63 1sii n GLY 579 N 4.32 0.88 3.47 2.66 0.00 -0.55 -4.99 105.19 110.97 1sii n GLY 579 Ca 0.15 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1sii n GLY 579 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sii s GLN 580 N -3.05 1.64 -0.58 1.61 -1.52 -0.33 -4.63 119.66 112.79 1sii s GLN 580 Ca 0.00 -1.56 -0.27 0.00 -1.95 0.00 0.00 55.36 51.58 1sii s GLN 580 Cb 0.00 0.42 -0.00 0.00 -0.22 0.00 0.00 33.01 33.21 1sii s GLN 580 CO 0.00 -0.66 1.62 0.34 -0.25 0.00 0.00 175.29 176.34 1sii s ASP 581 N -3.15 5.75 0.25 5.90 -1.08 -1.14 -1.62 116.67 121.58 1sii s ASP 581 Ca 0.29 0.32 0.09 0.00 -0.52 0.00 0.00 52.55 52.73 1sii s ASP 581 Cb 0.01 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 1sii s ASP 581 CO 0.15 -2.00 -0.14 0.27 0.52 0.00 0.00 175.17 173.97 1sii s ILE 582 N 7.35 1.96 -0.07 4.11 -4.36 -1.26 -0.80 121.20 128.14 1sii s ILE 582 Ca 0.59 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.75 1sii s ILE 582 Cb -0.12 -2.25 0.02 0.00 1.25 0.00 0.00 42.46 41.35 1sii s ILE 582 CO 0.23 -0.45 -0.09 -0.69 0.24 0.00 0.00 174.94 174.18 1sii s VAL 583 N -2.82 0.98 -0.17 8.37 1.01 -0.09 -2.14 120.40 125.53 1sii s VAL 583 Ca 0.27 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.81 1sii s VAL 583 Cb -0.01 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1sii s VAL 583 CO 0.11 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.97 1sii s VAL 584 N 0.96 5.33 -0.26 2.92 1.01 0.33 -1.02 120.40 129.66 1sii s VAL 584 Ca -0.09 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1sii s VAL 584 Cb -0.15 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1sii s VAL 584 CO 0.00 0.51 -0.10 0.26 0.00 0.00 0.00 175.10 175.78 1sii s TRP 585 N -0.17 3.19 -0.25 5.22 0.52 0.13 -0.04 118.94 127.55 1sii s TRP 585 Ca 0.10 -2.29 -0.07 0.00 0.02 0.00 0.00 56.10 53.85 1sii s TRP 585 Cb -0.12 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1sii s TRP 585 CO 0.00 -0.87 0.08 -1.58 0.02 0.00 0.00 176.95 174.60 1sii s HIS 586 N 1.12 3.09 -0.05 -1.98 2.46 -0.37 -1.17 115.29 118.40 1sii s HIS 586 Ca -0.08 -0.41 -0.20 0.00 0.47 0.00 0.00 55.06 54.84 1sii s HIS 586 Cb -0.20 -2.25 -0.05 0.00 -0.13 0.00 0.00 32.58 29.96 1sii s HIS 586 CO -0.05 -0.35 0.58 0.99 -2.47 0.00 0.00 174.74 173.43 1sii s THR 587 N 1.62 5.01 -0.15 0.89 2.01 -0.38 -1.06 115.64 123.59 1sii s THR 587 Ca 0.06 1.20 -0.23 0.00 0.31 0.00 0.00 61.69 63.04 1sii s THR 587 Cb -0.15 -3.92 0.06 0.00 0.01 0.00 0.00 72.50 68.50 1sii s THR 587 CO 0.04 0.37 0.58 0.72 -0.69 0.00 0.00 174.62 175.64 1sii s PHE 588 N 0.19 -0.59 0.21 4.92 -0.71 -0.52 -4.71 117.98 116.76 1sii s PHE 588 Ca 0.31 1.29 -0.22 0.00 -1.04 0.00 0.00 56.93 57.27 1sii s PHE 588 Cb -0.17 0.26 0.07 0.00 -1.21 0.00 0.00 43.02 41.96 1sii s PHE 588 CO 0.16 -0.40 0.96 0.20 -1.34 0.00 0.00 175.22 174.79 1sii s GLY 589 N -0.31 0.03 -0.07 1.99 0.00 -1.26 -0.23 107.32 107.47 1sii s GLY 589 Ca -0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 1sii s GLY 589 CO 0.04 1.05 -0.02 1.08 0.00 0.00 0.00 173.10 175.24 1sii s LEU 590 N -3.17 3.43 -0.24 0.66 1.43 0.28 -4.66 118.68 116.40 1sii s LEU 590 Ca 0.17 0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 53.29 1sii s LEU 590 Cb -0.03 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1sii s LEU 590 CO 0.05 0.37 0.01 -0.89 0.23 0.00 0.00 176.35 176.12 1sii s THR 591 N -0.87 3.79 -0.28 5.49 2.01 -1.26 -0.74 115.64 123.77 1sii s THR 591 Ca 0.13 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1sii s THR 591 Cb -0.11 -2.76 0.04 0.00 0.01 0.00 0.00 72.50 69.68 1sii s THR 591 CO 0.03 0.36 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.01 1sii s HIS 592 N 1.53 3.18 -0.58 4.92 2.46 0.45 -5.00 115.29 122.26 1sii s HIS 592 Ca 0.06 -1.77 -0.10 0.00 0.47 0.00 0.00 55.06 53.72 1sii s HIS 592 Cb -0.15 -2.07 0.15 0.00 -0.13 0.00 0.00 32.58 30.38 1sii s HIS 592 CO -0.00 -0.78 0.47 -0.06 -2.47 0.00 0.00 174.74 171.90 1sii s PHE 593 N 1.27 3.46 0.46 3.88 0.08 -1.26 -2.18 117.98 123.70 1sii s PHE 593 Ca -0.03 -1.94 -0.25 0.00 0.12 0.00 0.00 56.93 54.83 1sii s PHE 593 Cb -0.18 -3.56 -0.08 0.00 -0.57 0.00 0.00 43.02 38.62 1sii s PHE 593 CO -0.03 -0.97 1.38 -2.30 -0.10 0.00 0.00 175.22 173.20 1sii n PRO 594 N 4.56 2.07 -4.19 0.24 -0.02 -1.26 -5.00 135.00 131.39 1sii n PRO 594 Ca -0.02 0.74 -0.23 0.00 -2.02 0.00 0.00 63.50 61.97 1sii n PRO 594 Cb 0.41 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 31.27 1sii n PRO 594 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1sii s ARG 595 N -2.48 2.65 0.44 -0.52 1.70 -1.26 -4.75 118.95 114.72 1sii s ARG 595 Ca 0.63 -1.20 0.14 0.00 -0.47 0.00 0.00 55.73 54.82 1sii s ARG 595 Cb -0.45 -2.39 1.03 0.00 -0.57 0.00 0.00 34.95 32.57 1sii s ARG 595 CO 0.56 0.39 2.00 0.28 -1.08 0.00 0.00 175.30 177.45 1sii h VAL 596 N 1.69 0.92 0.00 4.99 2.07 -1.88 -0.59 116.25 123.44 1sii h VAL 596 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1sii h VAL 596 Cb 1.24 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1sii h VAL 596 CO 0.61 0.07 0.00 -0.33 0.02 0.00 0.00 177.57 177.94 1sii h GLU 597 N 0.39 0.00 -0.00 1.57 3.07 -1.94 -2.05 114.58 115.61 1sii h GLU 597 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1sii h GLU 597 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1sii h GLU 597 CO -0.06 0.00 -0.01 -0.25 -1.40 0.00 0.00 179.01 177.28 1sii n ASP 598 N -2.51 0.03 -4.48 1.42 8.00 -0.23 -4.52 116.55 114.26 1sii n ASP 598 Ca -0.01 -0.05 -0.33 0.00 0.71 0.00 0.00 54.79 55.12 1sii n ASP 598 Cb 0.13 -0.31 -0.13 0.00 -0.02 0.00 0.00 41.12 40.79 1sii n ASP 598 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1sii s TRP 599 N -2.65 2.69 -1.84 1.24 -0.11 -0.77 -2.47 118.94 115.03 1sii s TRP 599 Ca 0.26 -0.17 0.28 0.00 1.22 0.00 0.00 56.10 57.69 1sii s TRP 599 Cb 0.20 -1.61 1.09 0.00 -1.50 0.00 0.00 33.47 31.65 1sii s TRP 599 CO 0.48 0.19 1.77 -0.35 -4.62 0.00 0.00 176.95 174.42 1sii n PRO 600 N 2.22 0.91 -3.85 5.86 -0.04 -1.26 -4.98 135.00 133.87 1sii n PRO 600 Ca -0.17 -0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 62.75 1sii n PRO 600 Cb 0.52 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 1sii n PRO 600 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1sii s ILE 601 N -2.38 0.00 -0.12 0.52 2.07 -1.23 -4.78 121.20 115.30 1sii s ILE 601 Ca 0.30 -0.04 -0.26 0.00 -1.41 0.00 0.00 60.65 59.24 1sii s ILE 601 Cb 0.20 -0.11 -0.02 0.00 0.13 0.00 0.00 42.46 42.66 1sii s ILE 601 CO 0.46 -0.02 0.85 -0.32 -1.91 0.00 0.00 174.94 174.00 1sii s MET 602 N -0.03 4.38 0.49 3.50 -2.45 0.01 -4.75 119.30 120.45 1sii s MET 602 Ca -0.01 1.11 -0.23 0.00 -1.25 0.00 0.00 55.69 55.30 1sii s MET 602 Cb -0.01 -3.53 -0.07 0.00 1.25 0.00 0.00 34.83 32.48 1sii s MET 602 CO 0.00 -0.21 1.33 -2.14 1.05 0.00 0.00 175.02 175.05 1sii s PRO 603 N 1.71 3.51 0.27 4.11 0.02 -1.26 -4.27 135.00 139.08 1sii s PRO 603 Ca 0.42 2.18 -0.30 0.00 0.02 0.00 0.00 61.00 63.31 1sii s PRO 603 Cb -0.18 -2.45 -0.13 0.00 0.02 0.00 0.00 34.50 31.76 1sii s PRO 603 CO 0.16 -0.88 1.39 0.28 -0.33 0.00 0.00 177.00 177.63 1sii n VAL 604 N -0.56 1.19 -4.39 3.83 0.31 -1.26 -4.81 118.33 112.64 1sii n VAL 604 Ca 0.08 -0.30 -0.24 0.00 -0.01 0.00 0.00 64.34 63.87 1sii n VAL 604 Cb 0.45 -1.53 -0.11 0.00 -0.91 0.00 0.00 33.84 31.74 1sii n VAL 604 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sii s ASP 605 N 0.17 3.14 0.12 4.52 2.15 -0.80 -4.94 116.67 121.02 1sii s ASP 605 Ca 0.65 -0.90 0.05 0.00 0.43 0.00 0.00 52.55 52.79 1sii s ASP 605 Cb -0.62 -0.22 -0.04 0.00 -0.30 0.00 0.00 42.92 41.74 1sii s ASP 605 CO 0.52 0.04 -0.13 0.42 -0.17 0.00 0.00 175.17 175.85 1sii s THR 606 N -2.01 1.25 0.12 1.71 -4.23 -1.26 -0.43 115.64 110.79 1sii s THR 606 Ca 0.20 -1.68 -0.16 0.00 -1.18 0.00 0.00 61.69 58.87 1sii s THR 606 Cb -0.06 -1.48 0.04 0.00 1.34 0.00 0.00 72.50 72.33 1sii s THR 606 CO 0.09 -0.43 0.41 0.54 -0.54 0.00 0.00 174.62 174.69 1sii s VAL 607 N -2.15 0.07 0.00 2.29 0.11 -0.96 -4.99 120.40 114.76 1sii s VAL 607 Ca 0.08 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1sii s VAL 607 Cb -0.05 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1sii s VAL 607 CO 0.02 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.10 1sii n GLY 608 N -0.18 0.79 3.67 6.54 0.00 -1.26 -0.58 105.19 114.17 1sii n GLY 608 Ca -0.16 -0.56 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 1sii n GLY 608 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sii s PHE 609 N -1.92 -0.28 0.10 1.61 -0.12 -1.01 -4.18 117.98 112.18 1sii s PHE 609 Ca 0.00 -0.02 -0.06 0.00 -0.05 0.00 0.00 56.93 56.80 1sii s PHE 609 Cb 0.00 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 1sii s PHE 609 CO 0.00 -0.92 0.14 -1.59 -0.05 0.00 0.00 175.22 172.79 1sii s LYS 610 N -3.58 0.86 -0.08 1.99 -2.85 -0.94 -1.71 119.74 113.43 1sii s LYS 610 Ca 0.08 -1.13 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1sii s LYS 610 Cb -0.03 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1sii s LYS 610 CO -0.02 -0.26 -0.19 -0.51 0.10 0.00 0.00 175.35 174.47 1sii s LEU 611 N -2.92 1.92 0.02 2.77 1.02 0.49 -0.71 118.68 121.26 1sii s LEU 611 Ca 0.11 -0.44 0.08 0.00 0.02 0.00 0.00 54.13 53.90 1sii s LEU 611 Cb 0.06 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 45.10 1sii s LEU 611 CO -0.07 0.13 -0.23 -0.13 0.02 0.00 0.00 176.35 176.07 1sii s ARG 612 N 0.34 2.02 0.38 1.70 0.52 -0.34 -1.32 118.95 122.24 1sii s ARG 612 Ca -0.14 -0.99 -0.27 0.00 -0.52 0.00 0.00 55.73 53.81 1sii s ARG 612 Cb -0.16 -2.09 -0.11 0.00 0.52 0.00 0.00 34.95 33.11 1sii s ARG 612 CO 0.06 0.54 1.38 -0.35 0.02 0.00 0.00 175.30 176.95 1sii n PRO 613 N 1.94 2.32 -3.56 3.54 -0.04 -1.26 -0.44 135.00 137.51 1sii n PRO 613 Ca -0.17 0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 63.82 1sii n PRO 613 Cb 0.52 -2.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 1sii n PRO 613 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1sii s GLU 614 N -2.07 0.96 -1.82 0.54 2.56 0.25 -4.76 118.70 114.36 1sii s GLU 614 Ca 0.56 -1.80 0.00 0.00 0.00 0.00 0.00 54.97 53.73 1sii s GLU 614 Cb -0.51 -1.79 0.00 0.00 2.00 0.00 0.00 34.13 33.83 1sii s GLU 614 CO 0.62 -1.23 0.00 0.41 -0.56 0.00 0.00 175.26 174.50 1sii n GLY 615 N 3.57 0.86 0.22 -1.50 0.00 -1.26 -2.51 105.19 104.56 1sii n GLY 615 Ca 0.14 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1sii n GLY 615 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1sii h PHE 616 N 0.00 0.88 -2.14 1.61 3.57 -1.86 -3.37 116.94 115.63 1sii h PHE 616 Ca -0.41 -0.28 -0.45 0.00 3.53 0.00 0.00 57.97 60.36 1sii h PHE 616 Cb 1.27 -0.18 0.02 0.00 2.79 0.00 0.00 35.95 39.85 1sii h PHE 616 CO 0.51 1.05 -0.24 -0.06 -2.23 0.00 0.00 178.31 177.34 1sii s PHE 617 N -4.25 3.13 -1.97 0.41 0.08 -1.26 -4.87 117.98 109.25 1sii s PHE 617 Ca -0.12 -0.06 0.27 0.00 0.12 0.00 0.00 56.93 57.14 1sii s PHE 617 Cb 0.09 -2.14 0.95 0.00 -0.57 0.00 0.00 43.02 41.34 1sii s PHE 617 CO 0.84 -0.17 1.68 -0.25 -0.10 0.00 0.00 175.22 177.22 1sii n ASP 618 N -1.82 1.06 -3.97 1.36 8.00 -1.26 -4.90 116.55 115.01 1sii n ASP 618 Ca 0.01 -1.03 0.05 0.00 0.71 0.00 0.00 54.79 54.52 1sii n ASP 618 Cb 0.58 0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.75 1sii n ASP 618 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sii s ARG 619 N -2.33 0.06 0.10 -1.24 1.70 -1.26 -4.94 118.95 111.05 1sii s ARG 619 Ca 0.30 -0.04 -0.36 0.00 -0.47 0.00 0.00 55.73 55.16 1sii s ARG 619 Cb 0.20 0.02 -0.17 0.00 -0.57 0.00 0.00 34.95 34.43 1sii s ARG 619 CO 0.45 -0.03 1.28 0.45 -1.08 0.00 0.00 175.30 176.37 1sii n SER 620 N -0.97 1.49 -0.09 -2.89 2.88 -1.26 -4.86 113.62 107.92 1sii n SER 620 Ca 0.05 1.13 0.08 0.00 -1.33 0.00 0.00 58.87 58.80 1sii n SER 620 Cb 0.59 -1.18 0.44 0.00 -0.75 0.00 0.00 64.21 63.30 1sii n SER 620 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1sii n PRO 621 N 2.29 1.12 -0.38 -1.46 -0.04 -1.26 -4.08 135.00 131.20 1sii n PRO 621 Ca 0.18 -0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1sii n PRO 621 Cb 0.20 -1.26 0.18 0.00 -0.04 0.00 0.00 33.50 32.58 1sii n PRO 621 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sii n VAL 622 N -0.56 2.08 0.25 0.52 0.24 -1.26 -4.66 118.33 114.94 1sii n VAL 622 Ca 0.12 -2.82 0.14 0.00 -2.04 0.00 0.00 64.34 59.75 1sii n VAL 622 Cb 0.10 -0.24 0.56 0.00 -1.47 0.00 0.00 33.84 32.79 1sii n VAL 622 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1sii h LEU 623 N 0.58 0.00 -2.06 1.34 3.38 -1.98 -3.10 115.31 113.48 1sii h LEU 623 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sii h LEU 623 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1sii h LEU 623 CO 0.01 0.09 0.00 -0.90 0.09 0.00 0.00 178.44 177.72 1sii n ASP 624 N -3.21 3.02 -4.72 -0.43 5.75 -1.26 -4.90 116.55 110.81 1sii n ASP 624 Ca 0.01 -1.96 -0.42 0.00 -0.01 0.00 0.00 54.79 52.41 1sii n ASP 624 Cb 0.37 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 1sii n ASP 624 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1sii s VAL 625 N -1.35 3.87 0.68 2.12 1.01 -1.17 -5.02 120.40 120.53 1sii s VAL 625 Ca 0.38 1.41 -0.11 0.00 0.00 0.00 0.00 61.98 63.66 1sii s VAL 625 Cb 0.21 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1sii s VAL 625 CO 0.28 0.15 1.07 -2.16 0.00 0.00 0.00 175.10 174.43 1sii s PRO 626 N 0.66 3.13 0.68 2.72 0.04 -1.26 -5.05 135.00 135.92 1sii s PRO 626 Ca 0.57 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 1sii s PRO 626 Cb -0.31 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.21 1sii s PRO 626 CO 0.31 -0.89 1.19 0.00 0.04 0.00 0.00 177.00 177.65 1sii s ALA 627 N -3.24 2.29 0.00 8.56 0.00 -1.26 -4.82 121.76 123.30 1sii s ALA 627 Ca 0.57 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1sii s ALA 627 Cb -0.12 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1sii s ALA 627 CO 0.53 -1.58 0.00 0.09 0.00 0.00 0.00 175.76 174.80