#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3i s LYS 2 N 0.00 4.13 -0.05 0.03 1.02 -1.26 -0.83 119.74 122.77 1s3i s LYS 2 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 55.97 57.02 1s3i s LYS 2 Cb 0.00 -3.68 -0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1s3i s LYS 2 CO 0.00 -0.66 -0.18 0.42 -0.92 0.00 0.00 175.35 174.01 1s3i s ILE 3 N 3.11 1.55 -0.20 2.17 -1.09 0.14 -0.58 121.20 126.29 1s3i s ILE 3 Ca 0.38 -0.77 -0.09 0.00 -2.23 0.00 0.00 60.65 57.94 1s3i s ILE 3 Cb -0.14 -1.34 -0.05 0.00 -1.58 0.00 0.00 42.46 39.35 1s3i s ILE 3 CO 0.10 0.44 0.11 0.00 -1.23 0.00 0.00 174.94 174.37 1s3i s ALA 4 N 0.13 3.61 -0.24 9.38 0.00 -0.61 0.69 121.76 134.71 1s3i s ALA 4 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 1s3i s ALA 4 Cb -0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.84 1s3i s ALA 4 CO 0.03 0.14 0.07 0.08 0.00 0.00 0.00 175.76 176.09 1s3i s VAL 5 N 0.41 4.44 -0.31 0.00 1.01 -0.33 -0.45 120.40 125.17 1s3i s VAL 5 Ca 0.07 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.92 1s3i s VAL 5 Cb -0.12 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.27 1s3i s VAL 5 CO -0.01 0.36 0.00 -0.63 0.00 0.00 0.00 175.10 174.82 1s3i s ILE 6 N 1.40 2.58 0.08 2.22 1.01 -0.04 -0.21 121.20 128.23 1s3i s ILE 6 Ca 0.05 -1.79 -0.27 0.00 0.00 0.00 0.00 60.65 58.64 1s3i s ILE 6 Cb -0.15 -2.63 0.09 0.00 0.01 0.00 0.00 42.46 39.78 1s3i s ILE 6 CO 0.04 -0.28 1.12 -0.83 0.00 0.00 0.00 174.94 175.00 1s3i s GLY 7 N 1.19 -0.23 0.00 6.18 0.00 -0.85 -3.81 107.32 109.80 1s3i s GLY 7 Ca -0.01 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.96 1s3i s GLY 7 CO -0.04 0.94 0.00 -1.06 0.00 0.00 0.00 173.10 172.93 1s3i n GLN 8 N -0.56 0.00 0.00 2.90 1.13 -1.26 -3.46 117.38 116.14 1s3i n GLN 8 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1s3i n GLN 8 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.96 1s3i n GLN 8 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1s3i n SER 9 N 1.47 0.00 -0.30 1.08 3.41 -1.26 -3.90 113.62 114.11 1s3i n SER 9 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 1s3i n SER 9 Cb 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 1s3i n SER 9 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1s3i h LEU 10 N 0.00 0.76 0.07 1.04 5.85 -1.98 0.09 115.31 121.13 1s3i h LEU 10 Ca 0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1s3i h LEU 10 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1s3i h LEU 10 CO 0.00 0.46 -0.28 0.15 -0.34 0.00 0.00 178.44 178.43 1s3i h PHE 11 N 0.88 -0.76 -0.91 1.25 3.57 -1.99 -0.31 116.94 118.67 1s3i h PHE 11 Ca 0.39 0.02 0.15 0.00 3.53 0.00 0.00 57.97 62.07 1s3i h PHE 11 Cb 0.28 0.33 -0.10 0.00 2.79 0.00 0.00 35.95 39.25 1s3i h PHE 11 CO -0.04 -0.38 0.51 0.78 -2.23 0.00 0.00 178.31 176.95 1s3i h GLY 12 N -0.47 1.53 0.91 2.40 0.00 -1.74 -1.25 103.07 104.44 1s3i h GLY 12 Ca 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1s3i h GLY 12 CO -0.20 -0.02 -0.04 -1.61 0.00 0.00 0.00 176.54 174.68 1s3i h GLN 13 N 0.72 -0.11 -0.52 4.80 4.15 -0.45 -1.00 115.11 122.70 1s3i h GLN 13 Ca 0.50 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.93 1s3i h GLN 13 Cb 0.69 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1s3i h GLN 13 CO -0.35 0.01 0.32 0.93 -1.93 0.00 0.00 178.83 177.81 1s3i h GLU 14 N -0.21 0.70 -0.22 1.69 3.07 -0.72 -0.34 114.58 118.54 1s3i h GLU 14 Ca -0.01 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 58.84 1s3i h GLU 14 Cb 0.18 -0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 27.89 1s3i h GLU 14 CO 0.02 0.49 -0.10 0.28 -1.40 0.00 0.00 179.01 178.31 1s3i h VAL 15 N 0.70 0.68 -0.43 3.13 2.07 -1.21 0.64 116.25 121.83 1s3i h VAL 15 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.77 1s3i h VAL 15 Cb -0.03 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1s3i h VAL 15 CO -0.04 0.00 0.10 0.22 0.02 0.00 0.00 177.57 177.87 1s3i h TYR 16 N -0.07 0.17 -0.28 1.57 3.20 -0.67 -1.45 116.97 119.44 1s3i h TYR 16 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1s3i h TYR 16 Cb 0.24 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1s3i h TYR 16 CO -0.27 0.03 0.14 0.00 -1.64 0.00 0.00 178.16 176.42 1s3i h GLN 18 N 0.32 0.85 -0.63 0.00 1.08 -0.54 -1.17 115.11 115.02 1s3i h GLN 18 Ca 0.10 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 57.08 1s3i h GLN 18 Cb 0.12 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1s3i h GLN 18 CO -0.01 0.78 0.24 -0.07 -0.95 0.00 0.00 178.83 178.82 1s3i h LEU 19 N 0.82 0.85 -0.15 1.46 3.38 -1.12 -1.70 115.31 118.84 1s3i h LEU 19 Ca 0.18 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1s3i h LEU 19 Cb 0.32 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1s3i h LEU 19 CO 0.00 0.77 0.03 0.03 0.09 0.00 0.00 178.44 179.36 1s3i h ARG 20 N 0.91 0.25 0.00 1.13 3.08 -0.89 -1.99 114.38 116.87 1s3i h ARG 20 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1s3i h ARG 20 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1s3i h ARG 20 CO -0.02 0.42 0.00 0.87 -1.07 0.00 0.00 179.97 180.18 1s3i h LYS 21 N 0.03 0.00 -0.02 0.04 1.57 -1.01 -1.02 116.57 116.16 1s3i h LYS 21 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1s3i h LYS 21 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1s3i h LYS 21 CO 0.00 0.00 -0.03 0.39 -0.57 0.00 0.00 179.45 179.24 1s3i n GLU 22 N -2.66 1.64 -0.32 3.15 -0.58 -0.66 -4.94 120.64 116.28 1s3i n GLU 22 Ca -0.01 -1.02 0.00 0.00 -0.42 0.00 0.00 57.16 55.71 1s3i n GLU 22 Cb 0.14 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1s3i n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s3i n GLY 23 N 1.22 0.69 3.77 0.62 0.00 -0.39 -5.06 105.19 106.04 1s3i n GLY 23 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1s3i n GLY 23 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s3i s HIS 24 N -2.65 2.63 -0.51 1.61 3.76 -0.77 -4.62 115.29 114.74 1s3i s HIS 24 Ca 0.00 1.54 -0.20 0.00 -0.15 0.00 0.00 55.06 56.25 1s3i s HIS 24 Cb 0.00 -3.33 0.06 0.00 1.11 0.00 0.00 32.58 30.42 1s3i s HIS 24 CO 0.00 -1.69 0.65 -2.00 -0.85 0.00 0.00 174.74 170.85 1s3i s GLU 25 N -3.27 3.14 -0.65 1.40 2.12 -0.01 -4.42 118.70 117.01 1s3i s GLU 25 Ca 0.73 -0.83 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 1s3i s GLU 25 Cb -0.25 -4.09 -0.01 0.00 0.26 0.00 0.00 34.13 30.04 1s3i s GLU 25 CO 0.28 -1.23 1.73 0.08 -0.54 0.00 0.00 175.26 175.58 1s3i s VAL 26 N 2.73 3.44 -0.41 3.70 1.01 -1.26 -0.69 120.40 128.92 1s3i s VAL 26 Ca 0.16 0.23 0.22 0.00 0.00 0.00 0.00 61.98 62.59 1s3i s VAL 26 Cb -0.19 -4.18 0.31 0.00 0.00 0.00 0.00 36.38 32.33 1s3i s VAL 26 CO 0.13 -1.14 1.59 1.62 0.00 0.00 0.00 175.10 177.29 1s3i h VAL 27 N 6.70 0.08 -1.42 2.92 3.04 -0.10 -3.46 116.25 124.00 1s3i h VAL 27 Ca -0.25 -1.11 0.15 0.00 -1.01 0.00 0.00 66.70 64.48 1s3i h VAL 27 Cb 1.13 2.03 -0.24 0.00 -2.01 0.00 0.00 31.29 32.20 1s3i h VAL 27 CO 1.23 0.04 0.69 -0.83 -1.01 0.00 0.00 177.57 177.70 1s3i s GLY 28 N -4.23 -0.16 -0.10 3.17 0.00 -1.22 -4.49 107.32 100.29 1s3i s GLY 28 Ca 0.07 2.22 0.03 0.00 0.00 0.00 0.00 44.72 47.03 1s3i s GLY 28 CO 0.68 0.99 -0.19 0.14 0.00 0.00 0.00 173.10 174.73 1s3i s VAL 29 N -1.25 1.69 -0.30 1.40 1.01 0.05 -1.18 120.40 121.82 1s3i s VAL 29 Ca 0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1s3i s VAL 29 Cb -0.01 -1.50 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1s3i s VAL 29 CO -0.02 0.48 0.02 -0.36 0.00 0.00 0.00 175.10 175.22 1s3i s PHE 30 N 0.64 3.22 0.28 5.22 0.40 0.70 -0.77 117.98 127.67 1s3i s PHE 30 Ca -0.13 -1.63 0.02 0.00 -0.60 0.00 0.00 56.93 54.59 1s3i s PHE 30 Cb -0.16 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 1s3i s PHE 30 CO 0.04 -0.75 0.08 -2.37 0.70 0.00 0.00 175.22 172.92 1s3i n THR 31 N 4.70 0.00 -2.82 0.64 5.66 0.09 -2.02 114.28 120.54 1s3i n THR 31 Ca -0.14 -1.58 -0.32 0.00 -3.05 0.00 0.00 64.05 58.96 1s3i n THR 31 Cb 0.45 0.53 -0.05 0.00 -1.55 0.00 0.00 70.33 69.71 1s3i n THR 31 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1s3i s ILE 32 N -2.51 4.61 0.69 1.09 -4.36 -1.26 -3.84 121.20 115.62 1s3i s ILE 32 Ca 0.12 1.04 -0.17 0.00 -0.26 0.00 0.00 60.65 61.38 1s3i s ILE 32 Cb 0.01 -3.67 0.01 0.00 1.25 0.00 0.00 42.46 40.06 1s3i s ILE 32 CO 0.08 -0.42 1.21 -0.81 0.24 0.00 0.00 174.94 175.24 1s3i n PRO 33 N -0.96 0.84 -1.67 0.37 -0.04 -1.26 -4.72 135.00 127.56 1s3i n PRO 33 Ca 0.05 0.35 -0.45 0.00 -0.04 0.00 0.00 63.50 63.40 1s3i n PRO 33 Cb 0.54 -2.45 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 1s3i n PRO 33 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s3i n ASP 34 N -2.05 2.79 -4.37 3.54 10.43 -1.26 -4.83 116.55 120.80 1s3i n ASP 34 Ca 0.15 1.13 -0.30 0.00 2.57 0.00 0.00 54.79 58.33 1s3i n ASP 34 Cb 0.49 -1.42 -0.14 0.00 1.84 0.00 0.00 41.12 41.88 1s3i n ASP 34 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 1s3i s LYS 35 N -0.07 1.89 -1.18 -1.24 2.20 -0.94 -4.73 119.74 115.67 1s3i s LYS 35 Ca 0.71 -1.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1s3i s LYS 35 Cb -0.67 -2.03 0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1s3i s LYS 35 CO 0.47 0.52 0.27 -0.25 -0.36 0.00 0.00 175.35 176.00 1s3i n ASP 36 N 1.79 -3.97 -1.81 1.43 10.43 -1.26 0.53 116.55 123.69 1s3i n ASP 36 Ca -0.17 -0.10 -0.20 0.00 2.57 0.00 0.00 54.79 56.89 1s3i n ASP 36 Cb 0.52 -3.32 -0.06 0.00 1.84 0.00 0.00 41.12 40.10 1s3i n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1s3i n GLY 37 N -1.03 1.15 3.59 0.44 0.00 -1.26 -4.99 105.19 103.09 1s3i n GLY 37 Ca -0.08 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 1s3i n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3i s LYS 38 N -4.15 3.37 -0.06 1.61 1.02 0.19 -5.11 119.74 116.61 1s3i s LYS 38 Ca 0.00 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.40 1s3i s LYS 38 Cb 0.00 -2.88 -0.05 0.00 -0.52 0.00 0.00 37.83 34.38 1s3i s LYS 38 CO 0.00 0.46 0.35 0.00 -0.92 0.00 0.00 175.35 175.24 1s3i s ALA 39 N -0.21 3.69 0.20 5.17 0.00 -1.26 -2.21 121.76 127.14 1s3i s ALA 39 Ca 0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.38 1s3i s ALA 39 Cb -0.13 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.56 1s3i s ALA 39 CO 0.02 0.40 1.44 0.34 0.00 0.00 0.00 175.76 177.96 1s3i s ASP 40 N -0.68 6.70 0.47 0.00 2.15 -1.26 -4.89 116.67 119.16 1s3i s ASP 40 Ca 0.21 2.56 0.12 0.00 0.43 0.00 0.00 52.55 55.87 1s3i s ASP 40 Cb -0.15 -2.61 1.07 0.00 -0.30 0.00 0.00 42.92 40.93 1s3i s ASP 40 CO 0.10 -0.70 2.10 1.55 -0.17 0.00 0.00 175.17 178.05 1s3i h PRO 41 N 5.77 0.27 -0.32 4.34 0.13 -1.86 -1.43 132.00 138.90 1s3i h PRO 41 Ca -0.44 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1s3i h PRO 41 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1s3i h PRO 41 CO 0.82 0.18 -0.06 0.22 -0.23 0.00 0.00 178.00 178.93 1s3i h ASP 42 N 0.28 0.60 0.02 1.44 3.58 -1.72 -2.00 116.42 118.63 1s3i h ASP 42 Ca 0.09 -0.35 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1s3i h ASP 42 Cb 0.01 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.90 1s3i h ASP 42 CO -0.02 0.81 -0.01 1.23 -2.88 0.00 0.00 179.24 178.37 1s3i h GLY 43 N 0.38 -0.03 0.24 -0.78 0.00 -1.63 -2.71 103.07 98.54 1s3i h GLY 43 Ca 0.08 0.01 0.09 0.00 0.00 0.00 0.00 47.33 47.52 1s3i h GLY 43 CO 0.03 -0.01 0.03 -2.00 0.00 0.00 0.00 176.54 174.58 1s3i h LEU 44 N -0.09 -0.15 0.11 3.11 6.46 -1.24 -1.29 115.31 122.21 1s3i h LEU 44 Ca -0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 1s3i h LEU 44 Cb 0.08 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1s3i h LEU 44 CO 0.01 -0.04 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.35 1s3i h GLU 45 N 0.14 -0.22 -0.43 1.25 4.39 -1.24 -1.68 114.58 116.80 1s3i h GLU 45 Ca 0.24 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 1s3i h GLU 45 Cb 0.36 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1s3i h GLU 45 CO -0.38 -0.14 0.10 0.00 -1.16 0.00 0.00 179.01 177.42 1s3i h ALA 46 N 0.65 1.37 -0.09 3.43 0.00 -1.15 -1.56 119.26 121.91 1s3i h ALA 46 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1s3i h ALA 46 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s3i h ALA 46 CO -0.02 0.45 0.05 0.93 0.00 0.00 0.00 179.25 180.66 1s3i h GLU 47 N 0.63 0.12 -0.72 0.00 5.08 -0.99 -0.75 114.58 117.95 1s3i h GLU 47 Ca 0.14 -0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1s3i h GLU 47 Cb 0.25 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.39 1s3i h GLU 47 CO -0.00 0.17 0.29 0.87 -1.00 0.00 0.00 179.01 179.34 1s3i h LYS 48 N 0.05 0.45 0.00 2.33 1.57 -0.77 -0.44 116.57 119.75 1s3i h LYS 48 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s3i h LYS 48 Cb 0.08 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1s3i h LYS 48 CO -0.00 0.29 0.00 -0.25 -0.57 0.00 0.00 179.45 178.92 1s3i n ASP 49 N -4.98 0.00 0.00 0.86 8.00 -0.64 -4.91 116.55 114.89 1s3i n ASP 49 Ca 0.13 0.43 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1s3i n ASP 49 Cb 0.37 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1s3i n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1s3i n GLY 50 N 0.29 0.43 3.77 0.44 0.00 -0.18 -5.04 105.19 104.90 1s3i n GLY 50 Ca 0.05 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1s3i n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3i s VAL 51 N -2.00 4.25 0.04 1.61 1.01 -0.55 -5.00 120.40 119.76 1s3i s VAL 51 Ca 0.00 1.85 -0.34 0.00 0.00 0.00 0.00 61.98 63.49 1s3i s VAL 51 Cb 0.00 -4.20 -0.13 0.00 0.00 0.00 0.00 36.38 32.05 1s3i s VAL 51 CO 0.00 0.50 1.74 -2.65 0.00 0.00 0.00 175.10 174.69 1s3i n PRO 52 N 1.51 2.22 -5.24 2.72 -0.02 -1.26 -4.41 135.00 130.51 1s3i n PRO 52 Ca -0.04 0.81 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 1s3i n PRO 52 Cb 0.48 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.18 1s3i n PRO 52 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1s3i s VAL 53 N 2.53 1.99 -0.02 -1.45 1.01 -1.26 -0.77 120.40 122.43 1s3i s VAL 53 Ca 0.86 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1s3i s VAL 53 Cb -0.67 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 1s3i s VAL 53 CO 0.44 0.56 -0.17 -0.36 0.00 0.00 0.00 175.10 175.57 1s3i s PHE 54 N -0.35 1.61 -0.51 5.22 0.40 0.05 -4.97 117.98 119.43 1s3i s PHE 54 Ca 0.03 -0.36 0.08 0.00 -0.60 0.00 0.00 56.93 56.07 1s3i s PHE 54 Cb -0.12 -1.05 0.33 0.00 0.51 0.00 0.00 43.02 42.68 1s3i s PHE 54 CO 0.01 -0.08 0.82 1.63 0.70 0.00 0.00 175.22 178.31 1s3i n LYS 55 N 2.83 2.26 -1.98 0.44 5.02 -1.26 -0.73 118.16 124.75 1s3i n LYS 55 Ca -0.16 -4.26 -0.42 0.00 -2.02 0.00 0.00 58.31 51.45 1s3i n LYS 55 Cb 0.54 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1s3i n LYS 55 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1s3i s PHE 56 N -2.86 2.48 0.20 2.13 2.99 -1.25 -4.27 117.98 117.40 1s3i s PHE 56 Ca 0.44 0.40 -0.09 0.00 0.00 0.00 0.00 56.93 57.68 1s3i s PHE 56 Cb 0.28 -3.91 0.12 0.00 0.00 0.00 0.00 43.02 39.51 1s3i s PHE 56 CO -0.10 -3.61 1.75 -1.35 -0.00 0.00 0.00 175.22 171.90 1s3i h PRO 57 N 8.28 1.10 -4.28 0.24 0.11 -1.98 -3.41 132.00 132.07 1s3i h PRO 57 Ca -0.42 -0.22 -0.16 0.00 0.11 0.00 0.00 66.00 65.31 1s3i h PRO 57 Cb 1.20 -0.17 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 1s3i h PRO 57 CO 0.93 0.93 -0.69 0.50 -0.21 0.00 0.00 178.00 179.45 1s3i s ARG 58 N -5.48 0.57 -0.12 1.05 6.06 -1.26 -5.02 118.95 114.76 1s3i s ARG 58 Ca -0.12 -1.05 0.18 0.00 -2.50 0.00 0.00 55.73 52.24 1s3i s ARG 58 Cb 0.15 0.07 -0.27 0.00 0.06 0.00 0.00 34.95 34.96 1s3i s ARG 58 CO 0.83 -0.07 0.23 0.91 -2.50 0.00 0.00 175.30 174.70 1s3i n TRP 59 N 0.56 0.00 -4.19 5.12 7.02 -1.26 -4.96 117.44 119.73 1s3i n TRP 59 Ca -0.17 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.15 1s3i n TRP 59 Cb 0.59 -0.73 -0.11 0.00 -2.42 0.00 0.00 31.31 28.64 1s3i n TRP 59 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1s3i s ARG 60 N -2.86 0.89 -0.06 -0.99 1.70 -1.26 -1.00 118.95 115.38 1s3i s ARG 60 Ca -0.08 -1.12 0.03 0.00 -0.47 0.00 0.00 55.73 54.08 1s3i s ARG 60 Cb 0.09 -0.73 0.01 0.00 -0.57 0.00 0.00 34.95 33.74 1s3i s ARG 60 CO 0.80 0.14 -0.13 0.00 -1.08 0.00 0.00 175.30 175.03 1s3i s ALA 61 N -2.00 1.27 -1.42 7.88 0.00 -0.61 -4.85 121.76 122.03 1s3i s ALA 61 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1s3i s ALA 61 Cb -0.06 -0.52 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1s3i s ALA 61 CO 0.02 0.15 0.90 0.54 0.00 0.00 0.00 175.76 177.37 1s3i n ARG 62 N 3.61 -5.60 -0.40 0.00 1.74 -1.26 -2.69 116.66 112.05 1s3i n ARG 62 Ca -0.21 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 1s3i n ARG 62 Cb 0.52 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1s3i n ARG 62 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s3i n GLY 63 N -1.66 1.71 3.37 -0.13 0.00 -1.26 -5.00 105.19 102.22 1s3i n GLY 63 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 1s3i n GLY 63 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1s3i s GLN 64 N -0.08 1.37 0.41 1.61 2.00 -1.10 -5.07 119.66 118.79 1s3i s GLN 64 Ca 0.00 -1.41 -0.26 0.00 -2.00 0.00 0.00 55.36 51.69 1s3i s GLN 64 Cb 0.00 -1.63 -0.09 0.00 0.80 0.00 0.00 33.01 32.09 1s3i s GLN 64 CO 0.00 0.36 1.41 0.00 -0.50 0.00 0.00 175.29 176.56 1s3i s ALA 65 N -1.61 3.36 0.03 1.58 0.00 -1.26 -1.57 121.76 122.29 1s3i s ALA 65 Ca 0.16 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1s3i s ALA 65 Cb -0.08 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 1s3i s ALA 65 CO 0.07 -1.05 1.47 -0.51 0.00 0.00 0.00 175.76 175.75 1s3i s LEU 66 N -2.42 4.34 0.37 0.00 1.43 -0.17 -4.79 118.68 117.45 1s3i s LEU 66 Ca 0.57 2.25 0.14 0.00 -1.03 0.00 0.00 54.13 56.06 1s3i s LEU 66 Cb -0.43 -3.56 0.98 0.00 0.03 0.00 0.00 46.19 43.20 1s3i s LEU 66 CO 0.57 -0.76 1.80 -0.65 0.23 0.00 0.00 176.35 177.54 1s3i h PRO 67 N 7.85 0.50 0.08 1.29 0.11 -1.91 -1.92 132.00 138.00 1s3i h PRO 67 Ca -0.40 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.69 1s3i h PRO 67 Cb 1.19 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1s3i h PRO 67 CO 0.91 0.33 -0.10 1.49 -0.21 0.00 0.00 178.00 180.41 1s3i h GLU 68 N 0.52 -0.21 -0.07 1.05 4.81 -1.98 -2.18 114.58 116.52 1s3i h GLU 68 Ca 0.55 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.67 1s3i h GLU 68 Cb 1.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1s3i h GLU 68 CO -0.29 -0.14 -0.52 -0.39 -0.73 0.00 0.00 179.01 176.95 1s3i h VAL 69 N -0.22 1.36 -0.35 0.32 -1.51 -1.72 -1.65 116.25 112.48 1s3i h VAL 69 Ca 0.01 -1.78 -0.15 0.00 -1.23 0.00 0.00 66.70 63.55 1s3i h VAL 69 Cb 0.22 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1s3i h VAL 69 CO -0.05 0.52 -0.39 0.58 -1.23 0.00 0.00 177.57 177.01 1s3i h VAL 70 N 0.15 1.28 0.41 7.19 2.07 -1.43 -0.77 116.25 125.15 1s3i h VAL 70 Ca 0.00 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1s3i h VAL 70 Cb 0.96 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1s3i h VAL 70 CO 0.08 0.52 -0.20 0.00 0.02 0.00 0.00 177.57 177.99 1s3i h ALA 71 N 0.74 -0.55 -0.98 1.67 0.00 -1.14 0.63 119.26 119.62 1s3i h ALA 71 Ca 0.05 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1s3i h ALA 71 Cb 0.98 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1s3i h ALA 71 CO 0.09 -0.75 0.64 0.87 0.00 0.00 0.00 179.25 180.10 1s3i h LYS 72 N -0.67 1.20 -0.31 0.00 1.57 -1.31 -2.68 116.57 114.37 1s3i h LYS 72 Ca -0.06 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1s3i h LYS 72 Cb 0.49 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1s3i h LYS 72 CO 0.09 0.80 -0.11 -0.92 -0.57 0.00 0.00 179.45 178.74 1s3i h TYR 73 N 1.24 0.71 -0.67 -1.35 5.03 -1.05 -3.23 116.97 117.65 1s3i h TYR 73 Ca 0.39 -0.16 0.06 0.00 2.58 0.00 0.00 58.73 61.60 1s3i h TYR 73 Cb 0.00 -0.17 -0.04 0.00 1.55 0.00 0.00 36.73 38.07 1s3i h TYR 73 CO -0.00 0.83 0.44 0.37 -1.32 0.00 0.00 178.16 178.48 1s3i h GLN 74 N 0.40 0.68 0.00 1.82 5.75 -0.57 -2.81 115.11 120.38 1s3i h GLN 74 Ca 0.08 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1s3i h GLN 74 Cb 0.62 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.01 1s3i h GLN 74 CO 0.04 0.45 0.00 0.00 -2.65 0.00 0.00 178.83 176.67 1s3i n ALA 75 N -2.46 1.72 0.14 3.38 0.00 -1.04 -3.19 120.51 119.07 1s3i n ALA 75 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.56 1s3i n ALA 75 Cb 0.22 -1.33 0.12 0.00 0.00 0.00 0.00 19.45 18.46 1s3i n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1s3i h LEU 76 N 0.00 0.00 -0.74 0.00 3.38 -1.64 -3.48 115.31 112.83 1s3i h LEU 76 Ca 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1s3i h LEU 76 Cb 0.34 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.16 1s3i h LEU 76 CO 0.00 0.58 -0.38 0.61 0.09 0.00 0.00 178.44 179.34 1s3i n GLY 77 N 0.79 0.09 3.75 0.83 0.00 -1.19 -4.98 105.19 104.47 1s3i n GLY 77 Ca 0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1s3i n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3i s ALA 78 N -3.14 3.64 -0.63 4.61 0.00 -1.26 -4.86 121.76 120.12 1s3i s ALA 78 Ca 0.31 1.39 0.19 0.00 0.00 0.00 0.00 51.96 53.85 1s3i s ALA 78 Cb -0.14 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.18 1s3i s ALA 78 CO 0.38 -0.81 0.68 -0.85 0.00 0.00 0.00 175.76 175.17 1s3i n GLU 79 N 2.08 0.77 -3.80 0.00 0.28 0.25 -4.44 120.64 115.78 1s3i n GLU 79 Ca 0.06 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.88 1s3i n GLU 79 Cb 0.40 -1.40 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 1s3i n GLU 79 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1s3i s LEU 80 N -3.30 1.18 -0.17 -1.84 0.20 -1.06 -1.20 118.68 112.49 1s3i s LEU 80 Ca 0.03 0.36 -0.11 0.00 0.69 0.00 0.00 54.13 55.10 1s3i s LEU 80 Cb 0.14 0.57 -0.05 0.00 -0.43 0.00 0.00 46.19 46.42 1s3i s LEU 80 CO 0.77 -0.08 0.19 0.20 -0.29 0.00 0.00 176.35 177.14 1s3i s ASN 81 N 0.33 6.32 -0.23 3.68 0.01 -0.43 -1.58 114.94 123.05 1s3i s ASN 81 Ca -0.02 0.37 -0.04 0.00 -0.71 0.00 0.00 52.86 52.47 1s3i s ASN 81 Cb -0.03 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.51 1s3i s ASN 81 CO -0.01 0.19 -0.04 -0.69 -1.51 0.00 0.00 177.10 175.04 1s3i s VAL 82 N 0.15 3.28 -0.58 1.60 1.01 0.40 -0.85 120.40 125.41 1s3i s VAL 82 Ca 0.12 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.47 1s3i s VAL 82 Cb -0.12 -2.55 0.15 0.00 0.00 0.00 0.00 36.38 33.86 1s3i s VAL 82 CO 0.01 0.34 0.36 -0.76 0.00 0.00 0.00 175.10 175.05 1s3i s LEU 83 N 1.44 4.74 0.37 3.92 1.02 0.16 -0.86 118.68 129.46 1s3i s LEU 83 Ca 0.04 -3.01 0.18 0.00 0.02 0.00 0.00 54.13 51.36 1s3i s LEU 83 Cb -0.15 -1.73 0.67 0.00 0.02 0.00 0.00 46.19 44.99 1s3i s LEU 83 CO -0.03 -0.28 1.73 1.55 0.02 0.00 0.00 176.35 179.34 1s3i h PRO 84 N 6.65 0.00 0.00 1.29 0.13 -1.82 -1.74 132.00 136.50 1s3i h PRO 84 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1s3i h PRO 84 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1s3i h PRO 84 CO 0.70 0.39 0.00 0.34 -0.23 0.00 0.00 178.00 179.20 1s3i n PHE 85 N -3.57 0.00 -2.67 1.56 7.35 -1.26 -4.39 117.46 114.47 1s3i n PHE 85 Ca -0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.60 1s3i n PHE 85 Cb 0.51 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.37 1s3i n PHE 85 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s3i n SER 87 N -0.11 0.00 -4.44 0.00 3.41 -1.26 -4.58 113.62 106.64 1s3i n SER 87 Ca 0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.48 1s3i n SER 87 Cb 0.82 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.66 1s3i n SER 87 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s3i s GLN 88 N 0.00 1.61 -0.45 4.33 -2.07 -1.26 -5.11 119.66 116.71 1s3i s GLN 88 Ca 0.00 -1.87 -0.21 0.00 -1.82 0.00 0.00 55.36 51.46 1s3i s GLN 88 Cb 0.00 -0.93 0.03 0.00 -1.09 0.00 0.00 33.01 31.02 1s3i s GLN 88 CO 0.00 -0.13 0.68 0.12 -1.32 0.00 0.00 175.29 174.64 1s3i s PHE 89 N -3.23 3.04 0.34 9.60 5.36 -1.26 -5.03 117.98 126.81 1s3i s PHE 89 Ca 0.34 -0.04 -0.28 0.00 -0.96 0.00 0.00 56.93 55.99 1s3i s PHE 89 Cb 0.07 -3.44 -0.10 0.00 -0.34 0.00 0.00 43.02 39.22 1s3i s PHE 89 CO 0.14 -0.91 1.25 0.42 -1.46 0.00 0.00 175.22 174.66 1s3i s ILE 90 N 2.93 2.90 0.50 3.12 -1.09 -1.26 -4.94 121.20 123.36 1s3i s ILE 90 Ca 0.24 0.87 -0.24 0.00 -2.23 0.00 0.00 60.65 59.29 1s3i s ILE 90 Cb -0.14 -3.54 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 1s3i s ILE 90 CO 0.19 0.18 1.39 -2.84 -1.23 0.00 0.00 174.94 172.64 1s3i s PRO 91 N -1.88 3.43 0.61 2.79 0.02 -1.26 -4.85 135.00 133.86 1s3i s PRO 91 Ca 0.51 2.33 0.39 0.00 0.02 0.00 0.00 61.00 64.24 1s3i s PRO 91 Cb -0.37 -2.47 1.89 0.00 0.02 0.00 0.00 34.50 33.58 1s3i s PRO 91 CO 0.48 -0.99 2.18 0.52 -0.33 0.00 0.00 177.00 178.85 1s3i h MET 92 N 1.91 0.00 -0.03 5.54 2.86 -1.98 -0.55 114.93 122.68 1s3i h MET 92 Ca -0.51 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.06 1s3i h MET 92 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 1s3i h MET 92 CO 0.59 0.00 -0.33 0.93 1.06 0.00 0.00 176.91 179.16 1s3i h GLU 93 N 0.00 0.06 0.02 1.72 3.07 -1.99 -1.99 114.58 115.47 1s3i h GLU 93 Ca 0.00 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 58.76 1s3i h GLU 93 Cb 0.26 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.16 1s3i h GLU 93 CO 0.00 0.38 -0.40 0.28 -1.40 0.00 0.00 179.01 177.87 1s3i h VAL 94 N 0.05 1.57 -0.55 3.13 2.07 -1.51 -3.15 116.25 117.86 1s3i h VAL 94 Ca 0.00 -2.35 0.11 0.00 0.82 0.00 0.00 66.70 65.29 1s3i h VAL 94 Cb 0.61 3.13 -0.09 0.00 -1.52 0.00 0.00 31.29 33.42 1s3i h VAL 94 CO 0.04 0.58 -0.01 0.40 0.02 0.00 0.00 177.57 178.60 1s3i h ILE 95 N -0.88 0.55 0.00 4.57 1.08 -1.30 -2.65 117.51 118.87 1s3i h ILE 95 Ca -0.10 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1s3i h ILE 95 Cb 1.18 0.43 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1s3i h ILE 95 CO -0.01 0.02 -0.59 0.78 -0.69 0.00 0.00 178.15 177.66 1s3i h ASN 96 N 0.11 0.00 -0.83 1.72 2.35 -1.54 -3.27 115.58 114.11 1s3i h ASN 96 Ca 0.28 -0.07 0.16 0.00 -0.55 0.00 0.00 56.30 56.12 1s3i h ASN 96 Cb 0.44 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.65 1s3i h ASN 96 CO -0.47 0.04 -0.21 0.00 -1.65 0.00 0.00 177.43 175.13 1s3i h ALA 97 N 2.23 0.53 -2.34 -0.83 0.00 -1.42 -3.43 119.26 114.00 1s3i h ALA 97 Ca 0.00 0.32 -0.51 0.00 0.00 0.00 0.00 54.91 54.72 1s3i h ALA 97 Cb 0.89 0.64 0.09 0.00 0.00 0.00 0.00 17.79 19.41 1s3i h ALA 97 CO 0.00 -0.41 0.37 -2.14 0.00 0.00 0.00 179.25 177.07 1s3i s PRO 98 N -6.24 3.02 0.34 0.00 0.02 -1.26 -4.96 135.00 125.92 1s3i s PRO 98 Ca -0.15 1.00 0.04 0.00 0.02 0.00 0.00 61.00 61.91 1s3i s PRO 98 Cb 0.23 -2.00 0.63 0.00 0.02 0.00 0.00 34.50 33.38 1s3i s PRO 98 CO 0.76 -1.04 1.90 0.07 -0.33 0.00 0.00 177.00 178.36 1s3i h ARG 99 N -0.50 0.54 -0.37 5.54 0.11 -1.78 -2.88 114.38 115.05 1s3i h ARG 99 Ca -0.44 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.53 1s3i h ARG 99 Cb 1.21 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1s3i h ARG 99 CO 0.57 0.54 0.00 0.72 0.10 0.00 0.00 179.97 181.90 1s3i n HIS 100 N -4.31 0.47 -4.39 4.08 8.25 -0.34 -5.07 115.22 113.91 1s3i n HIS 100 Ca 0.02 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 1s3i n HIS 100 Cb 0.22 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1s3i n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s3i n GLY 101 N 1.42 0.38 3.07 -1.41 0.00 -1.09 -4.87 105.19 102.69 1s3i n GLY 101 Ca 0.19 -0.88 -0.20 0.00 0.00 0.00 0.00 46.02 45.13 1s3i n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s3i s SER 102 N -4.00 1.33 0.04 1.61 0.01 -1.23 -1.31 113.70 110.15 1s3i s SER 102 Ca 0.00 -0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.08 1s3i s SER 102 Cb 0.00 -0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 1s3i s SER 102 CO 0.00 0.10 -0.22 0.27 0.41 0.00 0.00 173.24 173.80 1s3i s ILE 103 N -0.42 2.48 -0.01 1.44 -4.36 -0.03 -1.03 121.20 119.28 1s3i s ILE 103 Ca 0.03 -1.29 0.06 0.00 -0.26 0.00 0.00 60.65 59.19 1s3i s ILE 103 Cb -0.05 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.63 1s3i s ILE 103 CO -0.00 0.34 -0.19 -0.63 0.24 0.00 0.00 174.94 174.70 1s3i s ILE 104 N -0.87 1.54 0.03 8.37 1.01 -0.26 -0.67 121.20 130.34 1s3i s ILE 104 Ca 0.13 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 1s3i s ILE 104 Cb -0.10 -1.29 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 1s3i s ILE 104 CO 0.04 0.41 0.44 -0.47 0.00 0.00 0.00 174.94 175.36 1s3i s TYR 105 N -0.49 3.73 -0.14 3.97 5.04 -0.65 -1.77 117.35 127.03 1s3i s TYR 105 Ca 0.07 1.04 -0.05 0.00 -2.44 0.00 0.00 57.07 55.69 1s3i s TYR 105 Cb -0.08 -2.32 0.07 0.00 0.35 0.00 0.00 41.96 39.98 1s3i s TYR 105 CO -0.01 0.61 0.29 -1.58 -1.34 0.00 0.00 175.55 173.53 1s3i s HIS 106 N -1.13 -0.50 -0.07 4.97 5.65 -0.15 -4.73 115.29 119.32 1s3i s HIS 106 Ca 0.26 1.08 -0.03 0.00 0.25 0.00 0.00 55.06 56.63 1s3i s HIS 106 Cb -0.17 0.03 -0.07 0.00 -1.18 0.00 0.00 32.58 31.19 1s3i s HIS 106 CO 0.15 -0.38 2.67 -0.35 -0.65 0.00 0.00 174.74 176.18 1s3i n PRO 107 N 5.36 1.58 -4.07 2.88 -0.04 -1.26 0.33 135.00 139.78 1s3i n PRO 107 Ca -0.07 -0.75 -0.10 0.00 -0.04 0.00 0.00 63.50 62.54 1s3i n PRO 107 Cb 0.50 -1.54 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 1s3i n PRO 107 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1s3i s SER 108 N 1.65 0.03 -0.97 3.54 1.04 -0.56 -4.20 113.70 114.24 1s3i s SER 108 Ca 0.33 -1.09 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 1s3i s SER 108 Cb 0.18 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.88 1s3i s SER 108 CO -0.02 -0.97 1.25 -0.76 0.98 0.00 0.00 173.24 173.72 1s3i s LEU 109 N -3.06 4.51 0.44 2.42 1.43 -1.25 -2.88 118.68 120.29 1s3i s LEU 109 Ca 0.27 -1.86 -0.26 0.00 -1.03 0.00 0.00 54.13 51.25 1s3i s LEU 109 Cb 0.03 -2.46 -0.09 0.00 0.03 0.00 0.00 46.19 43.71 1s3i s LEU 109 CO 0.08 -1.21 1.45 -0.76 0.23 0.00 0.00 176.35 176.14 1s3i s LEU 110 N 3.46 4.15 -0.02 1.79 1.43 -1.26 -0.75 118.68 127.48 1s3i s LEU 110 Ca 0.38 2.96 0.09 0.00 -1.03 0.00 0.00 54.13 56.52 1s3i s LEU 110 Cb -0.03 -3.89 0.28 0.00 0.03 0.00 0.00 46.19 42.58 1s3i s LEU 110 CO -0.09 -1.14 1.18 -0.81 0.23 0.00 0.00 176.35 175.72 1s3i n PRO 111 N -0.09 1.87 -2.48 1.29 -0.04 -1.26 -5.05 135.00 129.24 1s3i n PRO 111 Ca 0.04 -1.12 -0.41 0.00 -0.04 0.00 0.00 63.50 61.97 1s3i n PRO 111 Cb 0.41 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 1s3i n PRO 111 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1s3i s ARG 112 N -1.62 4.62 -1.12 0.54 3.52 0.07 -2.25 118.95 122.73 1s3i s ARG 112 Ca 0.21 1.78 -0.01 0.00 -0.13 0.00 0.00 55.73 57.58 1s3i s ARG 112 Cb 0.12 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1s3i s ARG 112 CO 0.12 0.17 0.93 0.72 -0.81 0.00 0.00 175.30 176.43 1s3i n HIS 113 N 1.57 -2.07 -1.54 5.12 8.25 -1.20 -4.17 115.22 121.19 1s3i n HIS 113 Ca 0.00 0.87 -0.36 0.00 -0.26 0.00 0.00 57.72 57.97 1s3i n HIS 113 Cb 0.45 -4.83 0.09 0.00 1.12 0.00 0.00 29.99 26.82 1s3i n HIS 113 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1s3i n ARG 114 N -3.94 0.83 0.00 -0.41 1.74 -0.30 -4.60 116.66 109.98 1s3i n ARG 114 Ca -0.24 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 1s3i n ARG 114 Cb 0.65 -2.51 0.00 0.00 -1.02 0.00 0.00 32.46 29.58 1s3i n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s3i n GLY 115 N 0.80 -0.16 0.00 -0.13 0.00 -1.26 -2.36 105.19 102.09 1s3i n GLY 115 Ca 0.15 -2.27 0.08 0.00 0.00 0.00 0.00 46.02 43.98 1s3i n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3i n ALA 116 N -0.74 3.62 -2.48 4.61 0.00 -1.26 -4.30 120.51 119.96 1s3i n ALA 116 Ca 0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 53.44 52.73 1s3i n ALA 116 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1s3i n ALA 116 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1s3i n SER 117 N -1.63 4.64 -0.18 0.00 7.64 -1.26 -4.88 113.62 117.94 1s3i n SER 117 Ca 0.01 -3.70 -0.01 0.00 1.01 0.00 0.00 58.87 56.18 1s3i n SER 117 Cb 0.32 -0.46 0.22 0.00 -1.01 0.00 0.00 64.21 63.28 1s3i n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s3i h ALA 118 N 2.59 1.36 -0.40 -0.43 0.00 -1.81 -1.82 119.26 118.75 1s3i h ALA 118 Ca 0.29 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1s3i h ALA 118 Cb 0.93 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1s3i h ALA 118 CO 0.84 0.52 0.12 0.82 0.00 0.00 0.00 179.25 181.54 1s3i h ILE 119 N 0.94 1.22 -0.14 0.00 2.04 -1.90 -1.28 117.51 118.39 1s3i h ILE 119 Ca 0.24 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.40 1s3i h ILE 119 Cb 0.04 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1s3i h ILE 119 CO -0.04 0.26 -0.13 0.78 0.00 0.00 0.00 178.15 179.02 1s3i h ASN 120 N 0.50 -0.42 0.45 1.72 4.21 -1.56 -2.72 115.58 117.78 1s3i h ASN 120 Ca 0.13 0.08 -0.11 0.00 1.21 0.00 0.00 56.30 57.61 1s3i h ASN 120 Cb 0.28 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.67 1s3i h ASN 120 CO -0.00 -0.18 -0.50 -0.50 -1.29 0.00 0.00 177.43 174.97 1s3i h TRP 121 N -0.16 0.06 -0.73 1.19 4.06 -1.25 0.13 115.95 119.26 1s3i h TRP 121 Ca 0.09 -0.02 0.16 0.00 2.06 0.00 0.00 58.89 61.18 1s3i h TRP 121 Cb 0.29 -0.01 -0.11 0.00 -1.00 0.00 0.00 29.16 28.33 1s3i h TRP 121 CO -0.26 0.54 0.13 1.15 -3.56 0.00 0.00 178.44 176.45 1s3i h THR 122 N 0.04 0.48 0.17 1.49 2.02 -0.93 -2.35 112.91 113.83 1s3i h THR 122 Ca -0.00 -0.08 -0.34 0.00 0.77 0.00 0.00 66.41 66.76 1s3i h THR 122 Cb 0.89 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1s3i h THR 122 CO 0.07 0.04 -1.72 -0.07 0.37 0.00 0.00 175.52 174.21 1s3i h LEU 123 N 0.22 0.55 -0.87 2.58 4.07 -1.04 -2.24 115.31 118.59 1s3i h LEU 123 Ca 0.41 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1s3i h LEU 123 Cb 0.70 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1s3i h LEU 123 CO -0.54 1.71 0.56 0.40 -1.08 0.00 0.00 178.44 179.49 1s3i h ILE 124 N 0.10 1.23 -0.00 1.22 2.04 -0.76 -2.31 117.51 119.02 1s3i h ILE 124 Ca -0.33 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1s3i h ILE 124 Cb 2.08 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 1s3i h ILE 124 CO 0.17 0.23 -0.07 1.41 0.00 0.00 0.00 178.15 179.89 1s3i n HIS 125 N -4.46 0.00 -1.91 1.37 8.25 -0.89 -4.43 115.22 113.15 1s3i n HIS 125 Ca 0.09 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 1s3i n HIS 125 Cb 0.03 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 30.99 1s3i n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1s3i n GLY 126 N 1.22 0.33 3.59 -1.41 0.00 -0.87 -4.96 105.19 103.09 1s3i n GLY 126 Ca 0.17 -0.50 -0.53 0.00 0.00 0.00 0.00 46.02 45.16 1s3i n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1s3i n ASP 127 N 0.18 1.62 0.21 1.61 8.00 -0.85 -4.85 116.55 122.47 1s3i n ASP 127 Ca -0.11 1.12 0.07 0.00 0.71 0.00 0.00 54.79 56.58 1s3i n ASP 127 Cb 0.51 -1.18 0.46 0.00 -0.02 0.00 0.00 41.12 40.89 1s3i n ASP 127 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1s3i h LYS 128 N 4.63 0.00 -5.58 -1.24 1.57 -1.91 -3.43 116.57 110.61 1s3i h LYS 128 Ca -0.48 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.72 1s3i h LYS 128 Cb 1.34 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.34 1s3i h LYS 128 CO 0.78 0.29 -0.84 0.15 -0.57 0.00 0.00 179.45 179.26 1s3i s LYS 129 N -3.95 1.76 0.24 3.15 1.02 -1.26 -1.41 119.74 119.28 1s3i s LYS 129 Ca -0.02 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1s3i s LYS 129 Cb 0.13 -1.59 -0.00 0.00 -0.52 0.00 0.00 37.83 35.84 1s3i s LYS 129 CO 0.67 0.32 0.05 0.41 -0.92 0.00 0.00 175.35 175.87 1s3i n GLY 130 N 2.92 3.73 0.00 -3.33 0.00 -0.24 -4.86 105.19 103.41 1s3i n GLY 130 Ca -0.17 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1s3i n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s3i n GLY 131 N 1.13 -2.15 3.13 -0.02 0.00 -1.26 -1.60 105.19 104.42 1s3i n GLY 131 Ca -0.07 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.61 1s3i n GLY 131 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s3i s PHE 132 N -2.47 0.72 -0.00 1.61 -0.12 -0.71 -1.49 117.98 115.51 1s3i s PHE 132 Ca 0.00 -0.94 0.02 0.00 -0.05 0.00 0.00 56.93 55.97 1s3i s PHE 132 Cb 0.00 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.93 1s3i s PHE 132 CO 0.00 -0.23 -0.08 0.99 -0.05 0.00 0.00 175.22 175.85 1s3i s THR 133 N -3.53 0.63 -0.16 -4.49 2.01 0.15 -1.57 115.64 108.68 1s3i s THR 133 Ca 0.08 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1s3i s THR 133 Cb 0.05 -0.53 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 1s3i s THR 133 CO -0.06 0.15 0.02 -0.63 -0.69 0.00 0.00 174.62 173.40 1s3i s ILE 134 N -0.25 4.39 0.03 1.82 -1.09 0.43 -0.98 121.20 125.55 1s3i s ILE 134 Ca 0.02 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1s3i s ILE 134 Cb -0.03 -2.95 -0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1s3i s ILE 134 CO -0.00 0.49 -0.01 0.72 -1.23 0.00 0.00 174.94 174.91 1s3i s PHE 135 N 0.22 0.33 -0.07 3.97 -0.71 -0.73 -0.22 117.98 120.78 1s3i s PHE 135 Ca 0.01 -0.70 -0.30 0.00 -1.04 0.00 0.00 56.93 54.91 1s3i s PHE 135 Cb -0.13 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.40 1s3i s PHE 135 CO 0.01 -0.28 1.28 -1.58 -1.34 0.00 0.00 175.22 173.32 1s3i s TRP 136 N -2.45 2.96 0.21 3.49 0.52 0.35 -1.10 118.94 122.91 1s3i s TRP 136 Ca -0.07 1.02 -0.30 0.00 0.02 0.00 0.00 56.10 56.77 1s3i s TRP 136 Cb -0.03 -3.52 -0.10 0.00 -1.15 0.00 0.00 33.47 28.68 1s3i s TRP 136 CO -0.04 -1.80 1.43 0.00 0.02 0.00 0.00 176.95 176.55 1s3i s ALA 137 N 2.71 3.63 0.01 0.98 0.00 -0.20 -3.25 121.76 125.63 1s3i s ALA 137 Ca 0.58 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.81 1s3i s ALA 137 Cb -0.26 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.31 1s3i s ALA 137 CO 0.21 -0.69 0.00 -0.40 0.00 0.00 0.00 175.76 174.88 1s3i n ASP 138 N 2.82 1.41 0.00 0.00 3.85 -1.26 -4.78 116.55 118.59 1s3i n ASP 138 Ca 0.08 -1.03 0.15 0.00 -0.71 0.00 0.00 54.79 53.28 1s3i n ASP 138 Cb 0.41 0.01 0.83 0.00 -1.35 0.00 0.00 41.12 41.02 1s3i n ASP 138 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1s3i n ASP 139 N -1.60 0.00 -4.71 -1.12 3.85 -1.26 -4.82 116.55 106.89 1s3i n ASP 139 Ca -0.00 -0.66 -0.23 0.00 -0.71 0.00 0.00 54.79 53.19 1s3i n ASP 139 Cb 0.01 -0.10 0.11 0.00 -1.35 0.00 0.00 41.12 39.79 1s3i n ASP 139 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1s3i s GLY 140 N -2.19 1.73 -0.41 6.12 0.00 -1.26 -5.07 107.32 106.24 1s3i s GLY 140 Ca 0.39 -1.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.00 1s3i s GLY 140 CO 0.37 -1.34 0.34 -2.27 0.00 0.00 0.00 173.10 170.20 1s3i s LEU 141 N -5.09 5.03 -1.44 0.66 1.98 -1.26 -4.36 118.68 114.20 1s3i s LEU 141 Ca 0.67 -0.83 -0.12 0.00 -2.89 0.00 0.00 54.13 50.96 1s3i s LEU 141 Cb -0.04 -2.23 0.09 0.00 0.66 0.00 0.00 46.19 44.67 1s3i s LEU 141 CO 0.44 -0.49 0.67 0.47 -1.89 0.00 0.00 176.35 175.55 1s3i n ASP 142 N 5.29 -3.98 -0.00 3.68 8.00 -1.26 -4.83 116.55 123.45 1s3i n ASP 142 Ca -0.10 -0.60 0.06 0.00 0.71 0.00 0.00 54.79 54.86 1s3i n ASP 142 Cb 0.47 -3.25 -0.08 0.00 -0.02 0.00 0.00 41.12 38.24 1s3i n ASP 142 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1s3i n THR 143 N -4.22 0.00 -0.97 -3.53 -2.24 -1.26 -4.90 114.28 97.16 1s3i n THR 143 Ca 0.02 -0.20 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 1s3i n THR 143 Cb 0.53 0.90 0.14 0.00 -2.10 0.00 0.00 70.33 69.80 1s3i n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1s3i s GLY 144 N -2.43 1.66 0.22 3.38 0.00 -1.26 -4.53 107.32 104.36 1s3i s GLY 144 Ca 0.04 0.29 -0.32 0.00 0.00 0.00 0.00 44.72 44.73 1s3i s GLY 144 CO 0.56 0.73 1.54 1.22 0.00 0.00 0.00 173.10 177.14 1s3i n ASP 145 N -3.99 3.22 -4.76 1.64 10.43 -1.20 -4.55 116.55 117.34 1s3i n ASP 145 Ca 0.09 1.11 -0.38 0.00 2.57 0.00 0.00 54.79 58.18 1s3i n ASP 145 Cb 0.53 -1.48 0.01 0.00 1.84 0.00 0.00 41.12 42.02 1s3i n ASP 145 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1s3i s LEU 146 N 0.39 4.04 -0.06 0.64 1.43 -0.09 -0.50 118.68 124.54 1s3i s LEU 146 Ca 0.72 2.55 -0.09 0.00 -1.03 0.00 0.00 54.13 56.28 1s3i s LEU 146 Cb -0.61 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 41.45 1s3i s LEU 146 CO 0.43 -1.07 -0.18 -0.11 0.23 0.00 0.00 176.35 175.66 1s3i n LEU 147 N -0.41 1.37 -4.04 1.79 0.00 0.70 -1.02 117.00 115.39 1s3i n LEU 147 Ca 0.07 0.22 -0.08 0.00 0.00 0.00 0.00 56.01 56.21 1s3i n LEU 147 Cb 0.46 -0.54 -0.09 0.00 0.00 0.00 0.00 43.42 43.25 1s3i n LEU 147 CO 0.52 -0.47 -0.25 -1.48 0.00 0.00 0.00 177.39 175.71 1s3i s LEU 148 N -7.17 1.92 0.01 -1.96 0.05 -0.99 -4.48 118.68 106.07 1s3i s LEU 148 Ca -0.15 -0.97 -0.11 0.00 0.05 0.00 0.00 54.13 52.96 1s3i s LEU 148 Cb 0.02 0.51 0.01 0.00 -2.05 0.00 0.00 46.19 44.68 1s3i s LEU 148 CO 0.22 -0.69 0.23 -1.58 -0.55 0.00 0.00 176.35 173.98 1s3i s GLN 149 N -3.94 0.65 -0.14 1.48 0.74 -1.26 -0.43 119.66 116.75 1s3i s GLN 149 Ca 0.12 -0.42 -0.08 0.00 0.05 0.00 0.00 55.36 55.02 1s3i s GLN 149 Cb 0.07 0.28 0.05 0.00 1.10 0.00 0.00 33.01 34.50 1s3i s GLN 149 CO -0.06 -0.18 0.34 0.15 -0.55 0.00 0.00 175.29 174.99 1s3i s LYS 150 N -1.89 0.33 0.40 1.67 1.02 -0.61 -5.01 119.74 115.65 1s3i s LYS 150 Ca -0.10 0.65 0.08 0.00 0.02 0.00 0.00 55.97 56.62 1s3i s LYS 150 Cb -0.04 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 1s3i s LYS 150 CO 0.00 -0.15 0.28 -1.83 -0.92 0.00 0.00 175.35 172.73 1s3i s GLU 151 N 1.19 2.43 -0.02 1.68 -1.05 -1.26 -1.74 118.70 119.93 1s3i s GLU 151 Ca -0.08 -1.62 -0.24 0.00 -0.15 0.00 0.00 54.97 52.88 1s3i s GLU 151 Cb -0.08 -2.23 0.05 0.00 -0.44 0.00 0.00 34.13 31.43 1s3i s GLU 151 CO -0.10 -0.11 0.52 0.00 0.95 0.00 0.00 175.26 176.53 1s3i s GLU 153 N -1.47 4.61 -0.18 0.00 -6.30 -1.26 -1.08 118.70 113.01 1s3i s GLU 153 Ca -0.11 1.47 -0.29 0.00 -2.50 0.00 0.00 54.97 53.54 1s3i s GLU 153 Cb -0.02 -3.41 0.00 0.00 0.00 0.00 0.00 34.13 30.70 1s3i s GLU 153 CO 0.06 0.04 1.02 0.08 0.02 0.00 0.00 175.26 176.48 1s3i s VAL 154 N 0.56 4.72 0.50 3.70 1.01 -0.50 -4.85 120.40 125.54 1s3i s VAL 154 Ca 0.50 2.02 -0.20 0.00 0.00 0.00 0.00 61.98 64.30 1s3i s VAL 154 Cb -0.23 -4.30 -0.08 0.00 0.00 0.00 0.00 36.38 31.77 1s3i s VAL 154 CO 0.29 -0.11 1.04 -0.76 0.00 0.00 0.00 175.10 175.57 1s3i s LEU 155 N 2.75 3.81 0.44 3.92 1.02 -1.26 -4.89 118.68 124.47 1s3i s LEU 155 Ca 0.45 1.92 0.11 0.00 0.02 0.00 0.00 54.13 56.64 1s3i s LEU 155 Cb -0.16 -4.56 0.98 0.00 0.02 0.00 0.00 46.19 42.47 1s3i s LEU 155 CO 0.10 -0.83 2.05 -0.65 0.02 0.00 0.00 176.35 177.04 1s3i h PRO 156 N 1.44 0.26 -0.55 1.29 0.11 -2.00 -1.94 132.00 130.61 1s3i h PRO 156 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1s3i h PRO 156 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1s3i h PRO 156 CO 0.59 0.24 0.00 -0.25 -0.21 0.00 0.00 178.00 178.37 1s3i n ASP 157 N -4.44 3.59 -4.64 -2.05 8.00 -1.26 -4.95 116.55 110.81 1s3i n ASP 157 Ca -0.00 -2.07 -0.45 0.00 0.71 0.00 0.00 54.79 52.98 1s3i n ASP 157 Cb 0.13 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 40.82 1s3i n ASP 157 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s3i n ASP 158 N 1.06 2.17 -4.80 -2.24 10.43 -0.73 -4.96 116.55 117.48 1s3i n ASP 158 Ca 0.19 1.17 -0.25 0.00 2.57 0.00 0.00 54.79 58.47 1s3i n ASP 158 Cb 0.57 -1.37 -0.05 0.00 1.84 0.00 0.00 41.12 42.11 1s3i n ASP 158 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1s3i s THR 159 N -0.55 2.18 0.19 -3.53 -4.23 -1.26 -4.73 115.64 103.72 1s3i s THR 159 Ca 0.64 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 1s3i s THR 159 Cb -0.68 -2.79 0.17 0.00 1.34 0.00 0.00 72.50 70.55 1s3i s THR 159 CO 0.55 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 176.86 1s3i h VAL 160 N 1.21 0.48 0.17 2.29 2.07 -1.44 -1.31 116.25 119.73 1s3i h VAL 160 Ca -0.41 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1s3i h VAL 160 Cb 1.27 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1s3i h VAL 160 CO 0.65 0.00 -0.08 0.28 0.02 0.00 0.00 177.57 178.44 1s3i h SER 161 N 0.02 -0.20 0.24 0.57 0.02 -1.84 -1.11 113.55 111.25 1s3i h SER 161 Ca 0.26 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1s3i h SER 161 Cb 0.40 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1s3i h SER 161 CO -0.54 -0.02 -0.12 0.71 -1.14 0.00 0.00 176.83 175.72 1s3i h THR 162 N -0.36 0.77 -0.52 -2.27 1.35 -1.83 0.55 112.91 110.60 1s3i h THR 162 Ca -0.02 -0.03 0.08 0.00 -0.55 0.00 0.00 66.41 65.88 1s3i h THR 162 Cb 0.28 0.79 -0.06 0.00 -1.73 0.00 0.00 68.15 67.43 1s3i h THR 162 CO 0.04 0.01 0.17 0.25 -0.25 0.00 0.00 175.52 175.74 1s3i h LEU 163 N -0.34 0.16 0.58 3.87 5.85 -1.29 0.39 115.31 124.53 1s3i h LEU 163 Ca -0.03 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1s3i h LEU 163 Cb 0.26 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1s3i h LEU 163 CO 0.05 0.12 -0.36 0.22 -0.34 0.00 0.00 178.44 178.13 1s3i h TYR 164 N 0.35 -0.95 -0.61 1.25 3.20 -0.89 -2.05 116.97 117.27 1s3i h TYR 164 Ca 0.25 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.08 1s3i h TYR 164 Cb 0.29 0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 1s3i h TYR 164 CO -0.17 -0.54 0.25 -0.91 -1.64 0.00 0.00 178.16 175.14 1s3i h ASN 165 N -0.89 0.80 0.60 -2.11 2.35 0.10 0.19 115.58 116.63 1s3i h ASN 165 Ca -0.07 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1s3i h ASN 165 Cb 0.72 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1s3i h ASN 165 CO 0.07 0.71 -1.37 -2.11 -1.65 0.00 0.00 177.43 173.09 1s3i n ARG 166 N -4.32 0.61 0.02 0.81 1.85 0.13 -4.51 116.66 111.24 1s3i n ARG 166 Ca 0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1s3i n ARG 166 Cb 0.16 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 1s3i n ARG 166 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1s3i n PHE 167 N -2.49 -0.26 -0.08 2.89 -0.00 -0.89 -4.83 117.46 111.80 1s3i n PHE 167 Ca -0.01 0.05 -0.11 0.00 -0.00 0.00 0.00 57.45 57.37 1s3i n PHE 167 Cb 0.55 0.40 0.02 0.00 -0.00 0.00 0.00 39.48 40.45 1s3i n PHE 167 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1s3i h LEU 168 N 0.00 0.86 0.15 -2.13 3.38 -0.88 -0.68 115.31 116.02 1s3i h LEU 168 Ca 0.00 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1s3i h LEU 168 Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1s3i h LEU 168 CO 0.00 1.16 -0.07 0.15 0.09 0.00 0.00 178.44 179.77 1s3i h PHE 169 N 0.66 -0.18 -0.51 1.13 3.04 -0.89 -2.69 116.94 117.49 1s3i h PHE 169 Ca 0.05 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.99 1s3i h PHE 169 Cb 0.98 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.52 1s3i h PHE 169 CO 0.05 -0.11 0.31 -1.00 -2.02 0.00 0.00 178.31 175.54 1s3i h PRO 170 N -0.28 0.69 0.00 6.41 0.13 -1.76 -1.99 132.00 135.19 1s3i h PRO 170 Ca -0.02 -0.06 -0.18 0.00 -0.87 0.00 0.00 66.00 64.86 1s3i h PRO 170 Cb 0.15 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 1s3i h PRO 170 CO 0.03 0.50 -0.88 0.93 -0.23 0.00 0.00 178.00 178.36 1s3i h GLU 171 N 0.68 0.00 -0.91 0.86 4.39 -1.31 -2.93 114.58 115.36 1s3i h GLU 171 Ca 0.18 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1s3i h GLU 171 Cb -0.01 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 1s3i h GLU 171 CO -0.03 0.88 0.52 0.78 -1.16 0.00 0.00 179.01 179.99 1s3i h GLY 172 N 2.66 1.35 1.00 -3.84 0.00 -1.20 0.34 103.07 103.38 1s3i h GLY 172 Ca -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1s3i h GLY 172 CO 0.11 0.57 -0.10 -2.22 0.00 0.00 0.00 176.54 174.91 1s3i h ILE 173 N 1.27 0.79 -0.96 2.60 2.04 -1.31 -0.25 117.51 121.70 1s3i h ILE 173 Ca 0.32 -0.01 0.07 0.00 1.00 0.00 0.00 64.86 66.24 1s3i h ILE 173 Cb 0.00 0.80 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1s3i h ILE 173 CO -0.05 0.00 0.61 0.11 0.00 0.00 0.00 178.15 178.82 1s3i h LYS 174 N -0.29 1.07 -0.47 2.37 1.57 -1.31 -1.62 116.57 117.88 1s3i h LYS 174 Ca -0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1s3i h LYS 174 Cb 0.22 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1s3i h LYS 174 CO 0.05 0.71 0.28 0.78 -0.57 0.00 0.00 179.45 180.69 1s3i h GLY 175 N 1.10 0.69 1.41 3.86 0.00 -0.01 0.11 103.07 110.23 1s3i h GLY 175 Ca 0.42 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1s3i h GLY 175 CO -0.18 0.29 -0.01 1.98 0.00 0.00 0.00 176.54 178.62 1s3i h MET 176 N 0.63 0.72 -0.05 4.80 1.85 -0.73 -1.08 114.93 121.07 1s3i h MET 176 Ca 0.17 -0.19 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1s3i h MET 176 Cb 0.01 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 31.95 1s3i h MET 176 CO -0.03 0.74 -0.00 0.28 -0.40 0.00 0.00 176.91 177.49 1s3i h VAL 177 N 0.67 1.26 -0.86 -5.77 2.07 -0.93 -2.74 116.25 109.96 1s3i h VAL 177 Ca 0.13 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.89 1s3i h VAL 177 Cb 0.43 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 1s3i h VAL 177 CO 0.02 0.22 0.56 -0.61 0.02 0.00 0.00 177.57 177.78 1s3i h GLN 178 N -0.21 1.01 -0.67 1.57 5.75 -0.83 -1.15 115.11 120.58 1s3i h GLN 178 Ca 0.01 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 1s3i h GLN 178 Cb 0.35 -0.23 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 1s3i h GLN 178 CO 0.00 0.67 0.27 0.00 -2.65 0.00 0.00 178.83 177.13 1s3i h ALA 179 N 1.51 1.21 -0.20 3.38 0.00 -1.06 0.24 119.26 124.33 1s3i h ALA 179 Ca 0.35 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1s3i h ALA 179 Cb 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1s3i h ALA 179 CO -0.11 0.58 -0.32 0.28 0.00 0.00 0.00 179.25 179.68 1s3i h VAL 180 N 0.97 1.33 -0.28 0.00 2.07 -1.11 -1.76 116.25 117.47 1s3i h VAL 180 Ca 0.23 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 66.27 1s3i h VAL 180 Cb 0.18 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 1s3i h VAL 180 CO -0.02 0.47 -0.09 -0.09 0.02 0.00 0.00 177.57 177.86 1s3i h ARG 181 N 0.23 -0.03 -0.97 1.57 2.43 -0.55 -0.91 114.38 116.15 1s3i h ARG 181 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1s3i h ARG 181 Cb 0.90 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.41 1s3i h ARG 181 CO 0.07 -0.02 0.62 -0.07 -1.51 0.00 0.00 179.97 179.06 1s3i h LEU 182 N -0.03 1.13 -1.20 3.80 3.38 -0.46 -2.06 115.31 119.87 1s3i h LEU 182 Ca 0.14 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1s3i h LEU 182 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1s3i h LEU 182 CO -0.31 0.84 -0.14 0.40 0.09 0.00 0.00 178.44 179.33 1s3i h ILE 183 N 1.32 1.22 -0.12 1.22 2.04 -0.80 -1.23 117.51 121.15 1s3i h ILE 183 Ca 0.35 -0.95 -0.12 0.00 1.00 0.00 0.00 64.86 65.14 1s3i h ILE 183 Cb -0.12 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1s3i h ILE 183 CO -0.07 0.31 -0.45 0.00 0.00 0.00 0.00 178.15 177.94 1s3i h ALA 184 N 1.50 1.02 0.00 1.87 0.00 -0.51 -3.06 119.26 120.09 1s3i h ALA 184 Ca 0.07 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1s3i h ALA 184 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1s3i h ALA 184 CO 0.03 0.62 -0.66 0.39 0.00 0.00 0.00 179.25 179.63 1s3i n GLU 185 N -4.00 0.19 -0.88 0.00 1.02 -0.91 -4.96 120.64 111.10 1s3i n GLU 185 Ca -0.02 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1s3i n GLU 185 Cb 0.51 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1s3i n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1s3i n GLY 186 N 1.40 0.54 1.18 0.62 0.00 -0.55 -4.95 105.19 103.44 1s3i n GLY 186 Ca 0.04 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.01 1s3i n GLY 186 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s3i n THR 187 N -2.88 0.82 -2.25 2.61 -2.24 -0.68 -4.98 114.28 104.68 1s3i n THR 187 Ca 0.00 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.51 1s3i n THR 187 Cb 0.00 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1s3i n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3i s ALA 188 N -1.18 3.56 0.83 6.98 0.00 -1.16 -4.95 121.76 125.83 1s3i s ALA 188 Ca 0.43 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.84 1s3i s ALA 188 Cb 0.23 -3.71 0.09 0.00 0.00 0.00 0.00 23.12 19.73 1s3i s ALA 188 CO 0.30 -1.43 1.15 -2.14 0.00 0.00 0.00 175.76 173.65 1s3i s PRO 189 N 3.92 1.62 -0.17 0.00 0.02 -1.26 -5.00 135.00 134.12 1s3i s PRO 189 Ca 0.63 1.53 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 1s3i s PRO 189 Cb -0.25 -1.80 0.07 0.00 0.02 0.00 0.00 34.50 32.54 1s3i s PRO 189 CO 0.22 -2.18 0.12 0.50 -0.33 0.00 0.00 177.00 175.33 1s3i s ARG 190 N -4.47 0.08 -0.33 5.54 3.52 -1.26 -4.43 118.95 117.60 1s3i s ARG 190 Ca 0.68 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.29 1s3i s ARG 190 Cb -0.23 -1.62 0.11 0.00 -1.56 0.00 0.00 34.95 31.64 1s3i s ARG 190 CO 0.53 -0.65 0.11 0.00 -0.81 0.00 0.00 175.30 174.49 1s3i n PRO 192 N 4.56 1.89 -2.40 0.00 -0.02 -1.26 -0.91 135.00 136.86 1s3i n PRO 192 Ca 0.01 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 1s3i n PRO 192 Cb 0.41 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1s3i n PRO 192 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1s3i s GLN 193 N -1.85 4.53 0.28 -0.52 -0.21 -1.26 -4.82 119.66 115.81 1s3i s GLN 193 Ca 0.57 1.86 -0.03 0.00 0.02 0.00 0.00 55.36 57.77 1s3i s GLN 193 Cb -0.59 -3.23 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 1s3i s GLN 193 CO 0.61 -0.02 0.53 -1.54 -2.12 0.00 0.00 175.29 172.75 1s3i s SER 194 N -0.11 6.41 0.00 5.90 1.04 -1.26 -4.99 113.70 120.69 1s3i s SER 194 Ca 0.51 0.63 0.26 0.00 0.48 0.00 0.00 55.95 57.82 1s3i s SER 194 Cb -0.32 -2.11 1.44 0.00 0.10 0.00 0.00 66.02 65.13 1s3i s SER 194 CO 0.38 -0.19 1.88 -0.62 0.98 0.00 0.00 173.24 175.67 1s3i n GLU 195 N -1.03 0.65 -2.48 4.02 -0.58 -1.26 -4.56 120.64 115.40 1s3i n GLU 195 Ca -0.03 0.02 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1s3i n GLU 195 Cb 0.54 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.89 1s3i n GLU 195 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1s3i s GLU 196 N -2.20 4.29 -0.05 3.49 0.41 -1.26 -3.05 118.70 120.32 1s3i s GLU 196 Ca 0.33 1.61 0.00 0.00 -0.41 0.00 0.00 54.97 56.51 1s3i s GLU 196 Cb 0.17 -3.66 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 1s3i s GLU 196 CO 0.33 -0.58 0.00 0.41 -0.49 0.00 0.00 175.26 174.93 1s3i n GLY 197 N 3.46 0.44 3.66 -1.39 0.00 -1.26 -4.85 105.19 105.25 1s3i n GLY 197 Ca 0.12 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1s3i n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3i s ALA 198 N -1.86 3.61 0.15 4.61 0.00 -1.17 -3.71 121.76 123.40 1s3i s ALA 198 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1s3i s ALA 198 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1s3i s ALA 198 CO 0.00 -0.87 -0.13 0.95 0.00 0.00 0.00 175.76 175.71 1s3i s THR 199 N 2.71 1.41 0.08 0.00 -4.23 -0.95 -4.97 115.64 109.69 1s3i s THR 199 Ca 0.39 -1.95 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 1s3i s THR 199 Cb -0.16 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 1s3i s THR 199 CO 0.09 -0.55 -0.17 -0.47 -0.54 0.00 0.00 174.62 172.98 1s3i s TYR 200 N -2.68 1.45 -0.02 3.99 6.14 -1.26 -1.15 117.35 123.81 1s3i s TYR 200 Ca 0.15 -0.43 -0.10 0.00 0.64 0.00 0.00 57.07 57.32 1s3i s TYR 200 Cb -0.02 -0.81 0.01 0.00 0.42 0.00 0.00 41.96 41.57 1s3i s TYR 200 CO 0.03 0.11 0.22 -1.21 0.64 0.00 0.00 175.55 175.35 1s3i s GLU 201 N -1.71 0.51 0.94 4.97 8.01 -0.99 -4.93 118.70 125.50 1s3i s GLU 201 Ca 0.02 -0.18 -0.13 0.00 0.01 0.00 0.00 54.97 54.69 1s3i s GLU 201 Cb -0.10 0.22 0.16 0.00 -4.31 0.00 0.00 34.13 30.10 1s3i s GLU 201 CO 0.03 -0.12 1.14 0.20 0.01 0.00 0.00 175.26 176.51 1s3i s GLY 202 N -1.06 1.58 0.35 -1.39 0.00 -1.26 -4.25 107.32 101.29 1s3i s GLY 202 Ca -0.11 -0.57 -0.28 0.00 0.00 0.00 0.00 44.72 43.75 1s3i s GLY 202 CO 0.02 0.02 1.35 -0.42 0.00 0.00 0.00 173.10 174.08 1s3i s ILE 203 N -3.26 2.53 -0.49 0.90 1.01 -1.26 -4.54 121.20 116.09 1s3i s ILE 203 Ca 0.65 0.52 -0.24 0.00 0.00 0.00 0.00 60.65 61.59 1s3i s ILE 203 Cb -0.14 -3.33 0.03 0.00 0.01 0.00 0.00 42.46 39.03 1s3i s ILE 203 CO 0.54 0.12 0.85 -1.10 0.00 0.00 0.00 174.94 175.35 1s3i s GLN 204 N -1.94 3.38 0.44 2.79 -1.52 -1.26 -4.93 119.66 116.62 1s3i s GLN 204 Ca 0.51 -0.16 0.07 0.00 -1.95 0.00 0.00 55.36 53.83 1s3i s GLN 204 Cb -0.41 -3.98 -0.02 0.00 -0.22 0.00 0.00 33.01 28.37 1s3i s GLN 204 CO 0.55 -1.26 0.31 0.15 -0.25 0.00 0.00 175.29 174.79 1s3i s LYS 205 N 3.54 2.36 0.35 2.91 3.01 -1.26 -4.62 119.74 126.03 1s3i s LYS 205 Ca 0.30 -1.75 0.13 0.00 -1.01 0.00 0.00 55.97 53.64 1s3i s LYS 205 Cb -0.12 -2.17 0.95 0.00 -1.01 0.00 0.00 37.83 35.47 1s3i s LYS 205 CO 0.22 -0.25 1.76 -0.22 0.51 0.00 0.00 175.35 177.37 1s3i h LYS 206 N 1.12 0.52 -0.87 1.68 1.63 -1.92 -0.25 116.57 118.49 1s3i h LYS 206 Ca -0.41 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1s3i h LYS 206 Cb 1.27 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.74 1s3i h LYS 206 CO 0.62 0.35 0.55 1.49 -3.45 0.00 0.00 179.45 179.00 1s3i h GLU 207 N 0.54 1.17 -0.70 1.90 4.81 -1.96 -2.70 114.58 117.63 1s3i h GLU 207 Ca 0.60 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 1s3i h GLU 207 Cb 1.26 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1s3i h GLU 207 CO -0.37 0.80 0.00 0.25 -0.73 0.00 0.00 179.01 178.96 1s3i n THR 208 N -4.44 1.74 -0.05 0.32 -2.24 -0.12 -4.24 114.28 105.25 1s3i n THR 208 Ca 0.09 -0.91 0.06 0.00 -2.27 0.00 0.00 64.05 61.02 1s3i n THR 208 Cb 0.04 -0.29 0.15 0.00 -2.10 0.00 0.00 70.33 68.12 1s3i n THR 208 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3i n ALA 209 N 0.46 2.25 -1.86 6.98 0.00 -1.02 -4.85 120.51 122.48 1s3i n ALA 209 Ca 0.18 -1.05 -0.41 0.00 0.00 0.00 0.00 53.44 52.16 1s3i n ALA 209 Cb 0.84 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 1s3i n ALA 209 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1s3i s LYS 210 N -1.01 4.25 0.09 0.00 2.20 -1.26 -2.85 119.74 121.16 1s3i s LYS 210 Ca 0.24 2.33 -0.31 0.00 -0.36 0.00 0.00 55.97 57.87 1s3i s LYS 210 Cb 0.13 -3.10 -0.07 0.00 -1.51 0.00 0.00 37.83 33.28 1s3i s LYS 210 CO 0.17 -0.44 1.26 0.42 -0.36 0.00 0.00 175.35 176.40 1s3i s ILE 211 N -0.01 3.76 -0.43 5.43 1.01 -0.09 -4.89 121.20 125.98 1s3i s ILE 211 Ca 0.60 1.28 -0.21 0.00 0.00 0.00 0.00 60.65 62.31 1s3i s ILE 211 Cb -0.42 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1s3i s ILE 211 CO 0.44 0.11 0.68 0.21 0.00 0.00 0.00 174.94 176.38 1s3i s ASN 212 N 0.97 6.36 0.00 3.58 3.84 -1.26 -4.94 114.94 123.49 1s3i s ASN 212 Ca 0.60 -0.23 0.26 0.00 0.21 0.00 0.00 52.86 53.70 1s3i s ASN 212 Cb -0.32 -2.34 1.14 0.00 -0.55 0.00 0.00 41.25 39.18 1s3i s ASN 212 CO 0.30 -0.80 1.83 0.79 -2.79 0.00 0.00 177.10 176.44 1s3i n TRP 213 N 6.36 0.00 -2.41 0.43 7.02 -1.26 -4.26 117.44 123.32 1s3i n TRP 213 Ca -0.01 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1s3i n TRP 213 Cb 0.48 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 1s3i n TRP 213 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 1s3i n ASP 214 N -1.46 6.16 -3.55 -0.99 4.64 -1.26 -3.95 116.55 116.14 1s3i n ASP 214 Ca 0.07 -3.22 -0.16 0.00 -1.38 0.00 0.00 54.79 50.11 1s3i n ASP 214 Cb 0.28 -1.39 -0.06 0.00 -1.04 0.00 0.00 41.12 38.91 1s3i n ASP 214 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 1s3i s GLN 215 N -0.90 0.92 0.50 -0.67 -0.21 -1.26 -4.94 119.66 113.10 1s3i s GLN 215 Ca 0.41 0.34 -0.23 0.00 0.02 0.00 0.00 55.36 55.90 1s3i s GLN 215 Cb 0.11 0.44 -0.07 0.00 1.00 0.00 0.00 33.01 34.49 1s3i s GLN 215 CO -0.01 -0.26 1.32 -2.30 -2.12 0.00 0.00 175.29 171.92 1s3i n PRO 216 N 1.13 1.79 -0.40 2.91 -0.02 -1.26 -1.60 135.00 137.56 1s3i n PRO 216 Ca -0.16 0.65 0.32 0.00 -2.02 0.00 0.00 63.50 62.29 1s3i n PRO 216 Cb 0.57 -2.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.15 1s3i n PRO 216 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s3i h ALA 217 N 1.69 2.49 -0.11 3.55 0.00 -1.88 -0.34 119.26 124.66 1s3i h ALA 217 Ca -0.50 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1s3i h ALA 217 Cb 1.30 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1s3i h ALA 217 CO 0.58 -1.10 0.04 1.49 0.00 0.00 0.00 179.25 180.26 1s3i h GLU 218 N 0.16 0.17 -0.80 0.00 4.81 -1.91 0.10 114.58 117.12 1s3i h GLU 218 Ca 0.78 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.94 1s3i h GLU 218 Cb 2.24 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 31.56 1s3i h GLU 218 CO -0.46 0.30 0.36 0.00 -0.73 0.00 0.00 179.01 178.48 1s3i h ALA 219 N 0.87 1.13 -0.48 2.92 0.00 -1.43 0.25 119.26 122.52 1s3i h ALA 219 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1s3i h ALA 219 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1s3i h ALA 219 CO -0.00 0.64 0.21 0.82 0.00 0.00 0.00 179.25 180.92 1s3i h ILE 220 N 1.14 1.20 -0.29 0.00 2.04 -1.21 0.25 117.51 120.64 1s3i h ILE 220 Ca 0.27 -0.59 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1s3i h ILE 220 Cb 0.15 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1s3i h ILE 220 CO -0.03 0.23 0.05 -0.74 0.00 0.00 0.00 178.15 177.65 1s3i h HIS 221 N 0.63 0.07 -0.71 1.37 2.76 -0.00 -0.71 115.15 118.56 1s3i h HIS 221 Ca 0.16 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1s3i h HIS 221 Cb 0.16 0.01 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1s3i h HIS 221 CO -0.00 0.01 0.35 -0.91 -1.30 0.00 0.00 177.93 176.08 1s3i h ASN 222 N 0.15 0.90 -0.08 3.26 2.35 -0.17 -1.36 115.58 120.62 1s3i h ASN 222 Ca 0.13 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1s3i h ASN 222 Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1s3i h ASN 222 CO -0.19 0.75 0.02 -0.25 -1.65 0.00 0.00 177.43 176.11 1s3i h TRP 223 N 1.00 0.14 -0.33 1.19 2.91 -0.19 0.31 115.95 120.98 1s3i h TRP 223 Ca 0.25 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.26 1s3i h TRP 223 Cb 0.08 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 1s3i h TRP 223 CO 0.01 0.32 0.21 0.82 -1.03 0.00 0.00 178.44 178.77 1s3i h ILE 224 N -0.08 1.07 0.00 2.65 2.04 -0.97 -2.59 117.51 119.63 1s3i h ILE 224 Ca 0.03 -0.15 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 1s3i h ILE 224 Cb 0.25 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1s3i h ILE 224 CO 0.00 0.08 -0.53 0.08 0.00 0.00 0.00 178.15 177.78 1s3i h ARG 225 N 0.43 0.00 0.00 2.37 0.11 -1.24 -2.00 114.38 114.05 1s3i h ARG 225 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1s3i h ARG 225 Cb -0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1s3i h ARG 225 CO -0.04 0.53 0.00 0.41 0.10 0.00 0.00 179.97 180.97 1s3i n GLY 226 N 0.64 -1.13 0.08 0.08 0.00 0.09 -2.13 105.19 102.82 1s3i n GLY 226 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1s3i n GLY 226 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s3i n ASN 227 N -1.21 1.80 -4.44 1.61 3.02 -0.93 -4.35 115.26 110.75 1s3i n ASN 227 Ca 0.16 -2.38 -0.44 0.00 -0.03 0.00 0.00 54.58 51.88 1s3i n ASN 227 Cb 0.19 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 1s3i n ASN 227 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s3i s ASP 228 N -1.72 6.74 0.00 6.41 3.68 -0.80 -0.39 116.67 130.59 1s3i s ASP 228 Ca 0.14 -2.31 0.00 0.00 2.13 0.00 0.00 52.55 52.51 1s3i s ASP 228 Cb 0.12 -2.38 0.00 0.00 -1.45 0.00 0.00 42.92 39.21 1s3i s ASP 228 CO 0.01 -0.95 0.00 1.17 0.13 0.00 0.00 175.17 175.53 1s3i n LYS 229 N 6.11 0.00 -4.58 4.34 4.81 -1.26 -2.81 118.16 124.76 1s3i n LYS 229 Ca 0.26 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.38 1s3i n LYS 229 Cb 0.48 0.00 -0.16 0.00 0.02 0.00 0.00 35.03 35.36 1s3i n LYS 229 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1s3i s VAL 230 N 0.00 2.01 -1.69 3.15 1.01 -1.21 -3.41 120.40 120.26 1s3i s VAL 230 Ca 0.00 -0.94 0.26 0.00 0.00 0.00 0.00 61.98 61.30 1s3i s VAL 230 Cb 0.00 -1.78 0.23 0.00 0.00 0.00 0.00 36.38 34.83 1s3i s VAL 230 CO 0.00 0.54 1.53 -0.81 0.00 0.00 0.00 175.10 176.36 1s3i n PRO 231 N 4.15 0.77 -0.24 2.72 -0.04 -1.19 -4.70 135.00 136.47 1s3i n PRO 231 Ca -0.20 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 1s3i n PRO 231 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1s3i n PRO 231 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3i n GLY 232 N 1.36 -0.10 3.77 0.55 0.00 0.48 -4.74 105.19 106.50 1s3i n GLY 232 Ca 0.11 -0.88 -0.40 0.00 0.00 0.00 0.00 46.02 44.86 1s3i n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3i s ALA 233 N 0.00 3.34 0.22 4.61 0.00 -1.26 -4.85 121.76 123.83 1s3i s ALA 233 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 1s3i s ALA 233 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1s3i s ALA 233 CO 0.00 -0.39 0.38 1.67 0.00 0.00 0.00 175.76 177.42 1s3i s TRP 234 N -1.26 0.50 0.01 0.00 1.48 -1.13 -0.55 118.94 118.00 1s3i s TRP 234 Ca 0.50 -0.84 -0.20 0.00 -1.06 0.00 0.00 56.10 54.50 1s3i s TRP 234 Cb -0.33 0.01 0.04 0.00 -1.16 0.00 0.00 33.47 32.03 1s3i s TRP 234 CO 0.43 -0.88 0.44 -0.08 -4.06 0.00 0.00 176.95 172.80 1s3i s THR 235 N -4.03 0.04 -0.19 0.66 -1.32 -0.44 -0.91 115.64 109.46 1s3i s THR 235 Ca 0.24 -0.37 -0.24 0.00 -1.21 0.00 0.00 61.69 60.12 1s3i s THR 235 Cb 0.01 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 70.12 1s3i s THR 235 CO 0.08 -0.20 0.77 -1.61 -2.21 0.00 0.00 174.62 171.45 1s3i s GLU 236 N -1.95 4.26 -0.21 7.08 0.41 -1.26 0.40 118.70 127.43 1s3i s GLU 236 Ca -0.08 0.89 -0.29 0.00 -0.41 0.00 0.00 54.97 55.08 1s3i s GLU 236 Cb -0.02 -3.59 0.14 0.00 -1.78 0.00 0.00 34.13 28.88 1s3i s GLU 236 CO 0.02 -0.33 1.07 0.00 -0.49 0.00 0.00 175.26 175.52 1s3i s ALA 237 N 2.18 -1.98 -1.44 5.21 0.00 -0.14 -4.36 121.76 121.23 1s3i s ALA 237 Ca 0.35 1.69 -0.10 0.00 0.00 0.00 0.00 51.96 53.90 1s3i s ALA 237 Cb -0.16 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 21.98 1s3i s ALA 237 CO 0.11 -0.27 1.01 0.00 0.00 0.00 0.00 175.76 176.60 1s3i n GLY 239 N -1.80 0.70 3.67 0.00 0.00 -1.26 -4.97 105.19 101.52 1s3i n GLY 239 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 1s3i n GLY 239 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1s3i s GLN 240 N -2.26 1.40 -0.06 1.61 -2.07 -1.17 -5.11 119.66 111.99 1s3i s GLN 240 Ca 0.00 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.56 1s3i s GLN 240 Cb 0.00 0.53 -0.03 0.00 -1.09 0.00 0.00 33.01 32.42 1s3i s GLN 240 CO 0.00 -0.63 1.24 0.15 -1.32 0.00 0.00 175.29 174.73 1s3i s LYS 241 N -3.63 4.32 -0.22 9.60 1.02 -1.26 -0.97 119.74 128.60 1s3i s LYS 241 Ca 0.08 1.72 -0.07 0.00 0.02 0.00 0.00 55.97 57.72 1s3i s LYS 241 Cb -0.03 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.66 1s3i s LYS 241 CO -0.02 -0.51 0.05 -0.51 -0.92 0.00 0.00 175.35 173.44 1s3i s LEU 242 N 2.45 3.45 -0.15 3.17 1.43 0.16 -2.93 118.68 126.25 1s3i s LEU 242 Ca 0.57 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1s3i s LEU 242 Cb -0.25 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1s3i s LEU 242 CO 0.22 0.04 0.07 -0.89 0.23 0.00 0.00 176.35 176.01 1s3i s THR 243 N 1.18 4.89 -0.09 5.49 2.01 -0.89 -1.33 115.64 126.91 1s3i s THR 243 Ca 0.04 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.03 1s3i s THR 243 Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1s3i s THR 243 CO 0.03 0.52 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.04 1s3i s PHE 244 N -0.17 2.93 0.10 4.92 2.99 0.29 -0.94 117.98 128.09 1s3i s PHE 244 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 56.93 56.91 1s3i s PHE 244 Cb -0.12 -1.78 -0.04 0.00 0.00 0.00 0.00 43.02 41.09 1s3i s PHE 244 CO 0.01 0.18 -0.10 -0.06 -0.00 0.00 0.00 175.22 175.25 1s3i s PHE 245 N -0.41 1.06 -1.10 0.36 0.40 0.40 -4.23 117.98 114.46 1s3i s PHE 245 Ca 0.06 -0.66 -0.03 0.00 -0.60 0.00 0.00 56.93 55.69 1s3i s PHE 245 Cb -0.12 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.79 1s3i s PHE 245 CO 0.02 -0.00 0.94 0.09 0.70 0.00 0.00 175.22 176.97 1s3i n ASN 246 N 0.55 -4.71 -4.77 1.36 3.02 -1.26 -1.71 115.26 107.73 1s3i n ASN 246 Ca -0.16 -0.66 -0.38 0.00 -0.03 0.00 0.00 54.58 53.35 1s3i n ASN 246 Cb 0.58 -5.13 -0.04 0.00 -0.61 0.00 0.00 39.78 34.58 1s3i n ASN 246 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1s3i s SER 247 N -3.78 6.89 0.04 6.41 0.15 -1.25 -2.04 113.70 120.11 1s3i s SER 247 Ca 0.27 2.14 -0.03 0.00 0.70 0.00 0.00 55.95 59.03 1s3i s SER 247 Cb -0.03 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.65 1s3i s SER 247 CO 0.73 -0.40 0.02 0.28 1.20 0.00 0.00 173.24 175.06 1s3i s THR 248 N -1.48 0.16 -1.72 6.45 -1.32 0.42 -4.88 115.64 113.27 1s3i s THR 248 Ca 0.54 -1.34 0.22 0.00 -1.21 0.00 0.00 61.69 59.90 1s3i s THR 248 Cb -0.26 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.65 1s3i s THR 248 CO 0.33 -0.74 1.06 0.18 -2.21 0.00 0.00 174.62 173.23 1s3i n LEU 249 N 0.66 1.69 -4.57 9.08 4.77 -1.26 -0.22 117.00 127.16 1s3i n LEU 249 Ca -0.18 -0.66 -0.42 0.00 -0.03 0.00 0.00 56.01 54.72 1s3i n LEU 249 Cb 0.59 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1s3i n LEU 249 CO 0.24 0.33 1.77 0.21 -1.33 0.00 0.00 177.39 178.62 1s3i s ASN 250 N -2.63 6.74 0.00 -1.43 2.47 -1.26 -4.65 114.94 114.17 1s3i s ASN 250 Ca 0.16 -2.14 0.21 0.00 0.42 0.00 0.00 52.86 51.51 1s3i s ASN 250 Cb 0.18 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.48 1s3i s ASN 250 CO 0.66 -1.26 1.09 0.35 -3.72 0.00 0.00 177.10 174.22 1s3i n THR 251 N 6.46 0.00 -1.73 -5.21 -2.24 -1.26 -4.96 114.28 105.34 1s3i n THR 251 Ca 0.43 -0.37 -0.67 0.00 -2.27 0.00 0.00 64.05 61.17 1s3i n THR 251 Cb 0.48 1.33 -0.10 0.00 -2.10 0.00 0.00 70.33 69.94 1s3i n THR 251 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1s3i n SER 252 N 0.48 1.20 0.00 3.42 2.88 -1.26 -0.51 113.62 119.83 1s3i n SER 252 Ca 0.10 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1s3i n SER 252 Cb 0.48 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1s3i n SER 252 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s3i n GLY 253 N 3.84 1.12 3.75 0.46 0.00 -1.26 -5.01 105.19 108.08 1s3i n GLY 253 Ca 0.30 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.92 1s3i n GLY 253 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3i s LEU 254 N 0.00 4.55 0.54 0.99 1.02 0.34 -5.06 118.68 121.07 1s3i s LEU 254 Ca 0.00 1.76 -0.18 0.00 0.02 0.00 0.00 54.13 55.73 1s3i s LEU 254 Cb 0.00 -3.49 -0.06 0.00 0.02 0.00 0.00 46.19 42.67 1s3i s LEU 254 CO 0.00 0.06 1.07 -0.55 0.02 0.00 0.00 176.35 176.96 1s3i s SER 255 N -0.56 5.93 -0.39 2.29 0.15 -1.26 -4.99 113.70 114.86 1s3i s SER 255 Ca 0.42 1.96 0.06 0.00 0.70 0.00 0.00 55.95 59.09 1s3i s SER 255 Cb -0.24 -2.56 0.53 0.00 -1.71 0.00 0.00 66.02 62.04 1s3i s SER 255 CO 0.29 -1.07 1.62 0.35 1.20 0.00 0.00 173.24 175.63 1s3i n THR 256 N -1.47 2.88 -1.26 6.45 -2.24 -1.26 -4.96 114.28 112.42 1s3i n THR 256 Ca 0.10 -2.82 -0.29 0.00 -2.27 0.00 0.00 64.05 58.77 1s3i n THR 256 Cb 0.52 -0.61 0.18 0.00 -2.10 0.00 0.00 70.33 68.32 1s3i n THR 256 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1s3i s GLN 257 N -3.41 0.23 0.19 -0.78 1.03 -1.26 -4.95 119.66 110.70 1s3i s GLN 257 Ca 0.52 0.30 0.00 0.00 0.04 0.00 0.00 55.36 56.22 1s3i s GLN 257 Cb 0.44 -1.73 0.00 0.00 0.03 0.00 0.00 33.01 31.75 1s3i s GLN 257 CO 0.02 -2.82 0.00 0.41 -2.54 0.00 0.00 175.29 170.37 1s3i n GLY 258 N -1.41 -1.80 3.74 2.60 0.00 -1.26 -4.21 105.19 102.85 1s3i n GLY 258 Ca 0.07 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 1s3i n GLY 258 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1s3i s GLU 259 N 0.00 4.35 0.70 1.61 2.12 -1.16 -4.84 118.70 121.48 1s3i s GLU 259 Ca 0.00 0.67 -0.15 0.00 0.36 0.00 0.00 54.97 55.85 1s3i s GLU 259 Cb 0.00 -3.40 0.02 0.00 0.26 0.00 0.00 34.13 31.02 1s3i s GLU 259 CO 0.00 0.22 1.17 0.00 -0.54 0.00 0.00 175.26 176.11 1s3i s ALA 260 N 0.32 2.25 -0.24 6.30 0.00 -1.26 -0.17 121.76 128.96 1s3i s ALA 260 Ca 0.31 0.75 -0.03 0.00 0.00 0.00 0.00 51.96 52.99 1s3i s ALA 260 Cb -0.17 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.62 1s3i s ALA 260 CO 0.15 -1.65 0.08 -1.17 0.00 0.00 0.00 175.76 173.18 1s3i s LEU 261 N -5.04 1.16 0.25 0.00 0.20 0.10 -4.78 118.68 110.57 1s3i s LEU 261 Ca 0.71 -1.10 -0.30 0.00 0.69 0.00 0.00 54.13 54.14 1s3i s LEU 261 Cb -0.26 -0.55 -0.09 0.00 -0.43 0.00 0.00 46.19 44.86 1s3i s LEU 261 CO 0.44 -0.37 1.28 -2.84 -0.29 0.00 0.00 176.35 174.57 1s3i s PRO 262 N 1.90 4.41 -0.22 0.98 0.02 -1.26 -4.04 135.00 136.79 1s3i s PRO 262 Ca 0.04 2.07 -0.03 0.00 0.02 0.00 0.00 61.00 63.11 1s3i s PRO 262 Cb -0.17 -3.15 0.07 0.00 0.02 0.00 0.00 34.50 31.27 1s3i s PRO 262 CO -0.19 -0.17 0.06 0.42 -0.33 0.00 0.00 177.00 176.79 1s3i s ILE 263 N -0.46 0.44 -0.00 2.83 1.01 -1.26 -4.62 121.20 119.14 1s3i s ILE 263 Ca 0.53 -0.68 -0.37 0.00 0.00 0.00 0.00 60.65 60.13 1s3i s ILE 263 Cb -0.37 -1.08 -0.15 0.00 0.01 0.00 0.00 42.46 40.87 1s3i s ILE 263 CO 0.43 -0.36 1.55 -2.65 0.00 0.00 0.00 174.94 173.91 1s3i n PRO 264 N 5.07 1.48 0.00 2.79 -0.02 -1.26 -2.13 135.00 140.92 1s3i n PRO 264 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1s3i n PRO 264 Cb 0.46 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1s3i n PRO 264 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3i n GLY 265 N 3.32 2.85 3.75 -1.23 0.00 -1.26 -4.91 105.19 107.71 1s3i n GLY 265 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1s3i n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3i s ALA 266 N -2.85 3.35 0.27 4.61 0.00 -0.90 -4.62 121.76 121.62 1s3i s ALA 266 Ca 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.35 1s3i s ALA 266 Cb 0.00 -3.09 0.56 0.00 0.00 0.00 0.00 23.12 20.59 1s3i s ALA 266 CO 0.00 0.12 1.63 1.25 0.00 0.00 0.00 175.76 178.76 1s3i h HIS 267 N 5.07 0.04 -3.92 0.00 2.76 -1.80 -3.40 115.15 113.90 1s3i h HIS 267 Ca -0.45 0.06 -0.31 0.00 -2.20 0.00 0.00 60.37 57.47 1s3i h HIS 267 Cb 1.21 0.12 -0.27 0.00 1.55 0.00 0.00 27.41 30.02 1s3i h HIS 267 CO 0.64 -0.27 -0.75 1.03 -1.30 0.00 0.00 177.93 177.28 1s3i s ARG 268 N -6.06 0.45 0.04 5.26 0.52 -1.26 -5.10 118.95 112.81 1s3i s ARG 268 Ca -0.13 -0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 54.66 1s3i s ARG 268 Cb 0.24 -0.38 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 1s3i s ARG 268 CO 0.76 0.10 1.16 -1.35 0.02 0.00 0.00 175.30 175.99 1s3i h PRO 269 N 5.65 -0.05 0.00 3.54 0.11 -1.84 -3.41 132.00 136.00 1s3i h PRO 269 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1s3i h PRO 269 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s3i h PRO 269 CO 0.48 -0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.64 1s3i n GLY 270 N -1.09 2.57 3.45 -0.55 0.00 -1.26 -4.46 105.19 103.85 1s3i n GLY 270 Ca -0.00 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 1s3i n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3i s VAL 271 N -0.60 2.94 -0.48 1.61 0.11 -1.11 0.01 120.40 122.88 1s3i s VAL 271 Ca 0.00 -0.76 -0.26 0.00 -2.93 0.00 0.00 61.98 58.03 1s3i s VAL 271 Cb 0.00 -2.15 0.03 0.00 -1.53 0.00 0.00 36.38 32.73 1s3i s VAL 271 CO 0.00 0.58 0.97 -0.69 -3.33 0.00 0.00 175.10 172.64 1s3i s VAL 272 N -0.61 4.40 0.45 2.04 1.01 0.76 -1.07 120.40 127.38 1s3i s VAL 272 Ca 0.09 0.78 0.06 0.00 0.00 0.00 0.00 61.98 62.91 1s3i s VAL 272 Cb -0.11 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1s3i s VAL 272 CO 0.01 -0.92 0.20 0.42 0.00 0.00 0.00 175.10 174.81 1s3i s THR 273 N 3.95 2.00 -1.19 3.92 -4.23 0.38 -2.98 115.64 117.50 1s3i s THR 273 Ca 0.38 -1.69 0.15 0.00 -1.18 0.00 0.00 61.69 59.35 1s3i s THR 273 Cb -0.10 -2.70 0.19 0.00 1.34 0.00 0.00 72.50 71.23 1s3i s THR 273 CO 0.27 0.00 1.47 2.29 -0.54 0.00 0.00 174.62 178.10 1s3i n LYS 274 N -1.35 0.10 0.00 3.99 0.00 -1.26 -1.81 118.16 117.82 1s3i n LYS 274 Ca -0.04 0.20 0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1s3i n LYS 274 Cb 0.65 -1.50 0.02 0.00 -0.00 0.00 0.00 35.03 34.20 1s3i n LYS 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1s3i n ALA 275 N -1.41 2.94 0.00 0.58 0.00 -1.26 -4.85 120.51 116.51 1s3i n ALA 275 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1s3i n ALA 275 Cb 0.15 -0.55 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1s3i n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s3i n GLY 276 N 1.06 0.77 3.44 0.00 0.00 -0.75 -4.76 105.19 104.96 1s3i n GLY 276 Ca 0.07 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 1s3i n GLY 276 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1s3i s LEU 277 N 0.00 4.63 0.21 0.99 2.96 0.87 -0.47 118.68 127.87 1s3i s LEU 277 Ca 0.00 -0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 1s3i s LEU 277 Cb 0.00 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.53 1s3i s LEU 277 CO 0.00 -0.33 1.12 -0.63 -1.32 0.00 0.00 176.35 175.20 1s3i s ILE 278 N 1.63 3.67 0.11 6.68 -1.09 -0.23 -0.92 121.20 131.06 1s3i s ILE 278 Ca 0.04 1.51 0.04 0.00 -2.23 0.00 0.00 60.65 60.00 1s3i s ILE 278 Cb -0.18 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1s3i s ILE 278 CO 0.08 0.29 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.23 1s3i s LEU 279 N -0.71 2.46 -0.03 2.97 1.43 0.12 -2.74 118.68 122.19 1s3i s LEU 279 Ca 0.48 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1s3i s LEU 279 Cb -0.31 -0.27 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 1s3i s LEU 279 CO 0.37 -0.32 -0.18 -0.36 0.23 0.00 0.00 176.35 176.09 1s3i s PHE 280 N -2.94 1.69 0.87 0.29 0.40 -1.26 0.21 117.98 117.24 1s3i s PHE 280 Ca 0.10 -0.41 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1s3i s PHE 280 Cb 0.00 -1.11 0.18 0.00 0.51 0.00 0.00 43.02 42.60 1s3i s PHE 280 CO -0.01 -0.10 1.20 0.20 0.70 0.00 0.00 175.22 177.21 1s3i s GLY 281 N -0.19 1.78 0.00 4.36 0.00 -0.72 -4.42 107.32 108.13 1s3i s GLY 281 Ca 0.01 -1.50 0.12 0.00 0.00 0.00 0.00 44.72 43.35 1s3i s GLY 281 CO 0.01 -0.79 1.27 1.16 0.00 0.00 0.00 173.10 174.75 1s3i n ASN 282 N -3.40 0.00 -0.44 1.64 0.23 -0.63 -1.50 115.26 111.16 1s3i n ASN 282 Ca 0.16 -1.10 0.04 0.00 -0.53 0.00 0.00 54.58 53.15 1s3i n ASN 282 Cb 0.60 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.39 1s3i n ASN 282 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1s3i n ASP 283 N -0.76 2.35 -1.27 0.53 5.75 -1.26 -4.96 116.55 116.93 1s3i n ASP 283 Ca 0.09 -1.76 -0.17 0.00 -0.01 0.00 0.00 54.79 52.95 1s3i n ASP 283 Cb 0.04 -0.11 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 1s3i n ASP 283 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1s3i n ASP 284 N 0.37 -5.61 -4.87 -1.12 2.03 -0.56 -4.98 116.55 101.80 1s3i n ASP 284 Ca 0.08 0.41 -0.30 0.00 0.52 0.00 0.00 54.79 55.49 1s3i n ASP 284 Cb 0.32 -4.58 -0.01 0.00 -0.72 0.00 0.00 41.12 36.13 1s3i n ASP 284 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1s3i s ARG 285 N -3.40 3.71 0.07 -0.67 1.81 -1.26 -4.79 118.95 114.42 1s3i s ARG 285 Ca 0.00 0.58 0.01 0.00 -1.72 0.00 0.00 55.73 54.60 1s3i s ARG 285 Cb 0.00 -2.25 -0.04 0.00 -0.45 0.00 0.00 34.95 32.21 1s3i s ARG 285 CO 0.00 -0.27 0.19 -1.64 -0.68 0.00 0.00 175.30 172.90 1s3i s MET 286 N -4.47 3.32 0.26 3.54 -1.94 -1.26 -1.75 119.30 117.00 1s3i s MET 286 Ca 0.53 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 54.06 1s3i s MET 286 Cb -0.10 -2.97 -0.06 0.00 2.01 0.00 0.00 34.83 33.71 1s3i s MET 286 CO 0.41 0.59 -0.04 -0.48 -0.01 0.00 0.00 175.02 175.49 1s3i s LEU 287 N -2.54 2.39 -0.15 -0.03 0.05 0.13 -4.79 118.68 113.74 1s3i s LEU 287 Ca 0.34 -1.20 0.01 0.00 0.05 0.00 0.00 54.13 53.33 1s3i s LEU 287 Cb -0.13 -0.51 0.02 0.00 -2.05 0.00 0.00 46.19 43.52 1s3i s LEU 287 CO 0.27 -0.40 -0.17 -0.22 -0.55 0.00 0.00 176.35 175.27 1s3i s LEU 288 N -3.40 1.87 -0.25 1.48 2.96 0.70 0.11 118.68 122.15 1s3i s LEU 288 Ca 0.29 -0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 53.56 1s3i s LEU 288 Cb 0.04 -1.29 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 1s3i s LEU 288 CO 0.11 -0.01 0.16 -0.69 -1.32 0.00 0.00 176.35 174.60 1s3i s VAL 289 N 1.26 5.29 -0.05 1.68 1.01 -0.09 -0.44 120.40 129.06 1s3i s VAL 289 Ca 0.02 0.16 0.13 0.00 0.00 0.00 0.00 61.98 62.29 1s3i s VAL 289 Cb -0.14 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.59 1s3i s VAL 289 CO -0.09 0.32 0.90 0.11 0.00 0.00 0.00 175.10 176.34 1s3i h LYS 290 N 7.78 0.00 -4.76 2.72 1.57 -1.31 0.25 116.57 122.82 1s3i h LYS 290 Ca -0.37 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 57.98 1s3i h LYS 290 Cb 1.18 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.19 1s3i h LYS 290 CO 0.62 0.51 -0.79 -0.80 -0.57 0.00 0.00 179.45 178.42 1s3i s ASN 291 N -6.13 1.27 0.13 0.86 -0.87 -0.69 0.71 114.94 110.21 1s3i s ASN 291 Ca -0.02 -0.20 0.10 0.00 -1.57 0.00 0.00 52.86 51.17 1s3i s ASN 291 Cb 0.08 -0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 41.02 1s3i s ASN 291 CO 0.81 0.10 -0.23 -0.63 -2.57 0.00 0.00 177.10 174.58 1s3i s ILE 292 N -0.00 2.50 -0.08 0.60 1.01 -0.63 -0.45 121.20 124.13 1s3i s ILE 292 Ca -0.00 -1.66 0.03 0.00 0.00 0.00 0.00 60.65 59.01 1s3i s ILE 292 Cb -0.07 -2.13 0.01 0.00 0.01 0.00 0.00 42.46 40.28 1s3i s ILE 292 CO 0.00 0.09 -0.17 -1.58 0.00 0.00 0.00 174.94 173.28 1s3i s GLN 293 N -2.11 2.31 0.54 2.79 0.74 -0.12 -1.58 119.66 122.23 1s3i s GLN 293 Ca 0.16 -0.62 -0.14 0.00 0.05 0.00 0.00 55.36 54.80 1s3i s GLN 293 Cb -0.10 -1.82 -0.07 0.00 1.10 0.00 0.00 33.01 32.12 1s3i s GLN 293 CO 0.08 0.08 0.98 -0.51 -0.55 0.00 0.00 175.29 175.37 1s3i s LEU 294 N 0.55 3.53 0.49 3.68 1.43 -0.37 -2.09 118.68 125.90 1s3i s LEU 294 Ca -0.16 1.48 0.23 0.00 -1.03 0.00 0.00 54.13 54.65 1s3i s LEU 294 Cb -0.17 -4.45 1.29 0.00 0.03 0.00 0.00 46.19 42.89 1s3i s LEU 294 CO 0.06 -0.66 1.95 -0.08 0.23 0.00 0.00 176.35 177.85 1s3i h GLU 295 N 0.57 0.15 -0.68 1.70 4.81 -1.88 0.30 114.58 119.54 1s3i h GLU 295 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1s3i h GLU 295 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1s3i h GLU 295 CO 0.62 0.10 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 1s3i n ASP 296 N -4.40 1.67 0.00 1.04 5.68 -1.26 -4.89 116.55 114.39 1s3i n ASP 296 Ca 0.13 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 1s3i n ASP 296 Cb 0.64 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1s3i n ASP 296 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1s3i n GLY 297 N 0.32 0.76 3.66 6.12 0.00 0.10 -5.03 105.19 111.12 1s3i n GLY 297 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1s3i n GLY 297 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s3i s LYS 298 N -0.48 4.23 0.04 1.61 2.47 -1.24 -4.82 119.74 121.56 1s3i s LYS 298 Ca 0.00 1.52 -0.18 0.00 -1.56 0.00 0.00 55.97 55.75 1s3i s LYS 298 Cb 0.00 -3.72 -0.06 0.00 -1.46 0.00 0.00 37.83 32.58 1s3i s LYS 298 CO 0.00 -0.70 0.52 -1.64 0.16 0.00 0.00 175.35 173.69 1s3i s MET 299 N 3.42 4.12 0.01 4.03 -1.94 -1.26 -1.23 119.30 126.45 1s3i s MET 299 Ca 0.51 0.63 -0.20 0.00 -1.71 0.00 0.00 55.69 54.91 1s3i s MET 299 Cb -0.19 -3.24 0.04 0.00 2.01 0.00 0.00 34.83 33.45 1s3i s MET 299 CO 0.12 0.63 0.45 0.00 -0.01 0.00 0.00 175.02 176.21 1s3i s MET 300 N -1.01 0.89 0.26 2.03 0.23 -0.62 -5.02 119.30 116.06 1s3i s MET 300 Ca 0.27 -0.18 -0.31 0.00 -1.03 0.00 0.00 55.69 54.45 1s3i s MET 300 Cb -0.18 0.40 -0.12 0.00 -1.53 0.00 0.00 34.83 33.40 1s3i s MET 300 CO 0.17 -0.29 1.62 -2.30 -2.03 0.00 0.00 175.02 172.19 1s3i n PRO 301 N 0.78 2.66 0.11 3.16 -0.02 -1.26 -1.61 135.00 138.82 1s3i n PRO 301 Ca -0.19 0.95 0.18 0.00 -2.02 0.00 0.00 63.50 62.41 1s3i n PRO 301 Cb 0.58 -2.74 0.74 0.00 -0.02 0.00 0.00 33.50 32.06 1s3i n PRO 301 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1s3i h ALA 302 N 5.32 2.15 -0.56 3.55 0.00 0.03 -2.48 119.26 127.27 1s3i h ALA 302 Ca -0.46 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.54 1s3i h ALA 302 Cb 1.22 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1s3i h ALA 302 CO 0.84 -0.46 0.38 0.66 0.00 0.00 0.00 179.25 180.67 1s3i h SER 303 N 0.00 0.31 -1.12 0.00 4.64 -1.77 -2.66 113.55 112.95 1s3i h SER 303 Ca 0.16 0.01 -0.67 0.00 -0.47 0.00 0.00 61.79 60.82 1s3i h SER 303 Cb 0.74 -0.06 -0.32 0.00 -0.31 0.00 0.00 62.40 62.45 1s3i h SER 303 CO -0.00 0.19 0.53 0.00 -0.87 0.00 0.00 176.83 176.67 1s3i n GLN 304 N -4.46 2.90 -0.22 4.77 10.64 -0.93 -4.65 117.38 125.43 1s3i n GLN 304 Ca 0.09 -3.54 -0.06 0.00 -1.83 0.00 0.00 57.00 51.66 1s3i n GLN 304 Cb 0.38 -2.28 0.04 0.00 -0.86 0.00 0.00 30.24 27.52 1s3i n GLN 304 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.06 175.58 1s3i h PHE 305 N 2.21 0.78 -0.51 2.61 3.04 -1.64 -0.38 116.94 123.05 1s3i h PHE 305 Ca 0.55 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.51 1s3i h PHE 305 Cb 0.83 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1s3i h PHE 305 CO 1.27 0.50 0.00 1.19 -2.02 0.00 0.00 178.31 179.25 1s3i n PHE 306 N -4.65 0.81 -0.70 0.41 3.01 -1.26 -5.18 117.46 109.90 1s3i n PHE 306 Ca 0.05 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.13 1s3i n PHE 306 Cb 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1s3i n PHE 306 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40