#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3a s TYR 3 N 0.00 2.85 -0.03 3.69 1.51 -1.26 -4.95 117.35 119.16 1u3a s TYR 3 Ca 0.00 0.98 0.01 0.00 -1.01 0.00 0.00 57.07 57.06 1u3a s TYR 3 Cb 0.00 -3.52 0.01 0.00 -0.11 0.00 0.00 41.96 38.34 1u3a s TYR 3 CO 0.00 -1.79 -0.05 -1.21 -1.11 0.00 0.00 175.55 171.39 1u3a s GLU 4 N 3.30 0.68 0.17 -0.62 0.41 -1.26 -5.06 118.70 116.32 1u3a s GLU 4 Ca 0.56 -0.13 -0.31 0.00 -0.41 0.00 0.00 54.97 54.68 1u3a s GLU 4 Cb -0.23 -0.69 -0.09 0.00 -1.78 0.00 0.00 34.13 31.33 1u3a s GLU 4 CO 0.17 -0.01 1.48 0.34 -0.49 0.00 0.00 175.26 176.74 1u3a s ASP 5 N 0.56 6.68 0.00 -0.19 2.15 -1.26 -1.06 116.67 123.55 1u3a s ASP 5 Ca -0.07 2.54 0.00 0.00 0.43 0.00 0.00 52.55 55.45 1u3a s ASP 5 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1u3a s ASP 5 CO -0.00 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 1u3a n GLY 6 N 3.25 2.20 0.00 2.66 0.00 0.17 -4.95 105.19 108.53 1u3a n GLY 6 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1u3a n GLY 6 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u3a n LYS 7 N -2.00 0.00 0.00 1.61 -0.00 -0.23 -4.78 118.16 112.76 1u3a n LYS 7 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1u3a n LYS 7 Cb 0.00 -0.00 0.72 0.00 -0.00 0.00 0.00 35.03 35.74 1u3a n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1u3a n GLN 8 N -0.22 0.63 -3.54 -1.58 0.00 -1.19 -3.67 117.38 107.81 1u3a n GLN 8 Ca 0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 57.00 56.78 1u3a n GLN 8 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.72 1u3a n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1u3a s TYR 9 N -2.45 -0.44 0.17 2.61 1.13 -1.26 -0.52 117.35 116.60 1u3a s TYR 9 Ca 0.31 0.16 0.06 0.00 -1.41 0.00 0.00 57.07 56.19 1u3a s TYR 9 Cb 0.20 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.60 1u3a s TYR 9 CO 0.45 -0.94 -0.12 0.95 -2.51 0.00 0.00 175.55 173.38 1u3a s THR 10 N -3.80 1.43 -0.15 -3.49 -4.23 -0.22 0.46 115.64 105.64 1u3a s THR 10 Ca 0.04 -2.12 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1u3a s THR 10 Cb -0.02 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.87 1u3a s THR 10 CO -0.08 -0.67 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.38 1u3a s THR 11 N -3.13 3.64 0.17 3.99 2.01 -1.26 -0.50 115.64 120.56 1u3a s THR 11 Ca 0.19 -0.45 -0.32 0.00 0.31 0.00 0.00 61.69 61.43 1u3a s THR 11 Cb 0.01 -2.58 -0.10 0.00 0.01 0.00 0.00 72.50 69.84 1u3a s THR 11 CO 0.03 0.50 1.57 -0.76 -0.69 0.00 0.00 174.62 175.27 1u3a s LEU 12 N 0.39 4.37 0.25 4.42 1.43 0.31 -4.91 118.68 124.94 1u3a s LEU 12 Ca -0.06 2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 55.63 1u3a s LEU 12 Cb -0.15 -3.59 0.38 0.00 0.03 0.00 0.00 46.19 42.86 1u3a s LEU 12 CO 0.04 -0.82 1.86 -0.08 0.23 0.00 0.00 176.35 177.57 1u3a h GLU 13 N 6.74 1.00 -3.00 1.70 4.81 -1.98 -3.34 114.58 120.51 1u3a h GLU 13 Ca -0.43 -0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.13 1u3a h GLU 13 Cb 1.20 -0.23 -0.40 0.00 0.63 0.00 0.00 28.75 29.95 1u3a h GLU 13 CO 0.91 0.66 -0.71 -1.59 -0.73 0.00 0.00 179.01 177.55 1u3a s LYS 14 N -6.04 1.62 0.49 1.92 -2.85 -1.26 -5.12 119.74 108.50 1u3a s LYS 14 Ca -0.12 -2.42 -0.17 0.00 -1.00 0.00 0.00 55.97 52.26 1u3a s LYS 14 Cb 0.19 -2.63 -0.14 0.00 -2.06 0.00 0.00 37.83 33.19 1u3a s LYS 14 CO 0.80 -1.21 -0.13 -2.30 0.10 0.00 0.00 175.35 172.61 1u3a n PRO 15 N 3.05 0.00 -3.76 1.78 -0.01 -1.26 -4.92 135.00 129.87 1u3a n PRO 15 Ca 0.13 0.00 -0.37 0.00 -0.01 0.00 0.00 63.50 63.24 1u3a n PRO 15 Cb 0.36 -0.96 -0.12 0.00 -0.01 0.00 0.00 33.50 32.76 1u3a n PRO 15 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 1u3a s VAL 16 N -1.92 3.69 0.34 -1.45 1.01 -0.33 -5.03 120.40 116.70 1u3a s VAL 16 Ca 0.54 -1.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 1u3a s VAL 16 Cb -0.47 -3.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1u3a s VAL 16 CO 0.64 -0.20 1.47 0.00 0.00 0.00 0.00 175.10 177.01 1u3a s ALA 17 N 1.38 3.60 -0.75 5.51 0.00 -1.26 -3.60 121.76 126.63 1u3a s ALA 17 Ca -0.02 1.49 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1u3a s ALA 17 Cb -0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.33 1u3a s ALA 17 CO 0.02 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.26 1u3a n GLY 18 N 1.08 0.84 3.83 0.00 0.00 -1.26 -5.01 105.19 104.66 1u3a n GLY 18 Ca 0.03 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1u3a n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3a s ALA 19 N -2.28 2.94 0.95 4.61 0.00 -1.24 -5.03 121.76 121.71 1u3a s ALA 19 Ca 0.00 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 1u3a s ALA 19 Cb 0.00 -3.17 0.13 0.00 0.00 0.00 0.00 23.12 20.08 1u3a s ALA 19 CO 0.00 -0.41 0.94 -2.30 0.00 0.00 0.00 175.76 173.99 1u3a n PRO 20 N -1.64 -0.56 -0.06 0.00 -0.02 -1.26 -4.68 135.00 126.78 1u3a n PRO 20 Ca 0.07 -0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.33 1u3a n PRO 20 Cb 0.54 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 1u3a n PRO 20 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1u3a h GLN 21 N -1.88 0.32 -3.93 -0.52 4.15 -1.92 -3.22 115.11 108.12 1u3a h GLN 21 Ca -0.44 -0.12 -0.46 0.00 0.77 0.00 0.00 58.65 58.40 1u3a h GLN 21 Cb 1.28 -0.02 -0.37 0.00 0.21 0.00 0.00 27.48 28.58 1u3a h GLN 21 CO 0.40 0.58 -0.78 0.08 -1.93 0.00 0.00 178.83 177.18 1u3a s VAL 22 N -4.80 0.60 -0.19 2.39 1.01 -1.14 0.73 120.40 119.01 1u3a s VAL 22 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1u3a s VAL 22 Cb 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1u3a s VAL 22 CO 0.73 0.28 -0.08 -0.22 0.00 0.00 0.00 175.10 175.81 1u3a s LEU 23 N 1.65 2.04 -0.19 3.92 0.20 0.48 0.03 118.68 126.81 1u3a s LEU 23 Ca 0.01 -0.81 -0.15 0.00 0.69 0.00 0.00 54.13 53.86 1u3a s LEU 23 Cb -0.13 -1.11 -0.04 0.00 -0.43 0.00 0.00 46.19 44.48 1u3a s LEU 23 CO -0.05 -0.16 0.37 -0.70 -0.29 0.00 0.00 176.35 175.52 1u3a s GLU 24 N 1.49 4.21 -0.03 1.98 2.12 0.86 -1.14 118.70 128.18 1u3a s GLU 24 Ca -0.01 0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.35 1u3a s GLU 24 Cb -0.16 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 1u3a s GLU 24 CO -0.08 0.05 0.40 -0.06 -0.54 0.00 0.00 175.26 175.03 1u3a s PHE 25 N 1.03 3.68 0.17 5.30 0.08 0.10 -1.44 117.98 126.90 1u3a s PHE 25 Ca 0.18 0.94 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1u3a s PHE 25 Cb -0.14 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 39.95 1u3a s PHE 25 CO 0.07 0.56 0.05 -0.59 -0.10 0.00 0.00 175.22 175.21 1u3a s PHE 26 N -0.76 1.12 -0.01 0.36 -0.71 -0.43 -2.67 117.98 114.89 1u3a s PHE 26 Ca 0.23 -1.17 0.03 0.00 -1.04 0.00 0.00 56.93 54.99 1u3a s PHE 26 Cb -0.16 -0.63 -0.01 0.00 -1.21 0.00 0.00 43.02 41.01 1u3a s PHE 26 CO 0.12 -0.40 -0.10 0.45 -1.34 0.00 0.00 175.22 173.95 1u3a s SER 27 N -3.14 1.21 0.06 1.98 0.15 -1.25 -0.55 113.70 112.16 1u3a s SER 27 Ca 0.28 -0.19 0.13 0.00 0.70 0.00 0.00 55.95 56.87 1u3a s SER 27 Cb 0.07 -0.13 0.56 0.00 -1.71 0.00 0.00 66.02 64.80 1u3a s SER 27 CO 0.05 0.13 1.40 0.49 1.20 0.00 0.00 173.24 176.51 1u3a n PHE 28 N 2.82 0.17 0.48 3.44 3.72 -1.26 -3.17 117.46 123.67 1u3a n PHE 28 Ca -0.14 0.07 0.11 0.00 -0.05 0.00 0.00 57.45 57.45 1u3a n PHE 28 Cb 0.56 -0.62 -0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1u3a n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1u3a n PHE 29 N -1.66 0.30 -3.63 1.38 3.72 -1.26 -4.80 117.46 111.50 1u3a n PHE 29 Ca 0.02 0.09 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1u3a n PHE 29 Cb 0.13 -0.48 -0.07 0.00 -0.94 0.00 0.00 39.48 38.12 1u3a n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u3a n PRO 31 N 3.08 -0.25 -2.94 0.00 -0.04 -1.26 -3.75 135.00 129.83 1u3a n PRO 31 Ca -0.15 -0.12 -0.18 0.00 -0.04 0.00 0.00 63.50 63.01 1u3a n PRO 31 Cb 0.56 -0.09 0.01 0.00 -0.04 0.00 0.00 33.50 33.95 1u3a n PRO 31 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1u3a s HIS 32 N -1.17 2.82 0.00 0.54 3.76 -1.26 -4.39 115.29 115.59 1u3a s HIS 32 Ca 0.05 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.63 1u3a s HIS 32 Cb -0.00 -2.45 0.00 0.00 1.11 0.00 0.00 32.58 31.24 1u3a s HIS 32 CO 0.03 -0.50 0.00 0.00 -0.85 0.00 0.00 174.74 173.42 1u3a n ALA 33 N -1.94 0.00 -0.11 -1.40 0.00 -1.26 -0.41 120.51 115.38 1u3a n ALA 33 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 1u3a n ALA 33 Cb 0.59 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1u3a n ALA 33 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1u3a h TYR 34 N 0.00 0.04 0.00 0.00 3.20 -1.99 -0.82 116.97 117.39 1u3a h TYR 34 Ca 0.00 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1u3a h TYR 34 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 1u3a h TYR 34 CO 0.00 -0.04 -0.47 1.96 -1.64 0.00 0.00 178.16 177.97 1u3a h GLN 35 N 0.14 0.00 0.15 1.82 4.20 -1.52 -1.03 115.11 118.88 1u3a h GLN 35 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1u3a h GLN 35 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1u3a h GLN 35 CO -0.28 0.47 -0.07 0.35 -0.67 0.00 0.00 178.83 178.62 1u3a h PHE 36 N 0.00 -0.19 -0.64 2.96 3.57 -0.13 -2.18 116.94 120.33 1u3a h PHE 36 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1u3a h PHE 36 Cb 0.98 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.74 1u3a h PHE 36 CO 0.00 0.03 0.38 0.93 -2.23 0.00 0.00 178.31 177.42 1u3a h GLU 37 N -0.39 0.71 -0.64 1.11 5.08 -0.97 -1.19 114.58 118.29 1u3a h GLU 37 Ca -0.02 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1u3a h GLU 37 Cb 0.31 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 1u3a h GLU 37 CO 0.03 0.47 0.23 1.49 -1.00 0.00 0.00 179.01 180.24 1u3a h GLU 38 N 0.73 0.40 -0.15 2.33 4.81 -1.22 -0.26 114.58 121.22 1u3a h GLU 38 Ca 0.27 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.32 1u3a h GLU 38 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1u3a h GLU 38 CO -0.13 0.26 -0.54 0.28 -0.73 0.00 0.00 179.01 178.15 1u3a h VAL 39 N 0.41 1.34 -0.10 0.32 2.07 -0.61 -0.88 116.25 118.79 1u3a h VAL 39 Ca 0.33 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 1u3a h VAL 39 Cb 0.43 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1u3a h VAL 39 CO -0.33 0.55 -0.02 0.25 0.02 0.00 0.00 177.57 178.04 1u3a h LEU 40 N 0.34 0.19 -0.09 2.57 5.85 -1.00 -0.60 115.31 122.57 1u3a h LEU 40 Ca 0.01 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.41 1u3a h LEU 40 Cb 1.06 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1u3a h LEU 40 CO 0.10 0.50 -0.27 0.45 -0.34 0.00 0.00 178.44 178.88 1u3a h HIS 41 N -0.13 -0.72 -0.14 1.25 3.86 -0.91 0.18 115.15 118.54 1u3a h HIS 41 Ca 0.03 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1u3a h HIS 41 Cb 0.42 0.33 -0.06 0.00 1.06 0.00 0.00 27.41 29.16 1u3a h HIS 41 CO 0.05 -0.35 -0.30 0.82 0.86 0.00 0.00 177.93 179.00 1u3a h ILE 42 N -0.36 0.31 -0.79 2.45 2.04 -1.09 0.11 117.51 120.18 1u3a h ILE 42 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1u3a h ILE 42 Cb 0.49 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 1u3a h ILE 42 CO -0.29 0.00 0.48 -1.28 0.00 0.00 0.00 178.15 177.05 1u3a h SER 43 N -0.37 0.73 -0.14 1.72 0.87 -0.85 0.29 113.55 115.80 1u3a h SER 43 Ca 0.10 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1u3a h SER 43 Cb 0.53 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1u3a h SER 43 CO -0.35 0.47 0.05 0.44 -0.53 0.00 0.00 176.83 176.90 1u3a h ASP 44 N 0.87 0.20 1.03 6.23 3.32 0.04 -1.85 116.42 126.25 1u3a h ASP 44 Ca 0.35 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1u3a h ASP 44 Cb 0.19 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1u3a h ASP 44 CO -0.18 0.34 -0.07 0.78 -1.72 0.00 0.00 179.24 178.39 1u3a h ASN 45 N 0.05 0.00 0.09 6.45 -0.26 -0.56 -2.90 115.58 118.45 1u3a h ASN 45 Ca 0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1u3a h ASN 45 Cb 0.21 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1u3a h ASN 45 CO -0.00 0.07 -0.04 0.58 -1.06 0.00 0.00 177.43 176.98 1u3a h VAL 46 N 0.00 1.10 -1.01 2.81 2.07 -0.28 -3.15 116.25 117.79 1u3a h VAL 46 Ca -0.00 -1.34 0.23 0.00 0.82 0.00 0.00 66.70 66.40 1u3a h VAL 46 Cb 0.61 1.87 -0.11 0.00 -1.52 0.00 0.00 31.29 32.14 1u3a h VAL 46 CO 0.01 0.30 0.62 0.50 0.02 0.00 0.00 177.57 179.01 1u3a h LYS 47 N -0.81 0.58 0.00 1.57 3.64 -1.36 0.75 116.57 120.94 1u3a h LYS 47 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1u3a h LYS 47 Cb 0.58 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1u3a h LYS 47 CO 0.02 0.38 -0.14 0.87 -2.27 0.00 0.00 179.45 178.32 1u3a h LYS 48 N 0.60 0.00 0.00 1.90 1.57 -1.59 -3.16 116.57 115.88 1u3a h LYS 48 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 1u3a h LYS 48 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1u3a h LYS 48 CO -0.38 0.14 -0.70 1.17 -0.57 0.00 0.00 179.45 179.11 1u3a n LYS 49 N -4.19 0.16 -2.16 3.15 4.81 0.26 -4.93 118.16 115.26 1u3a n LYS 49 Ca -0.02 0.02 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1u3a n LYS 49 Cb 0.22 -1.58 -0.01 0.00 0.02 0.00 0.00 35.03 33.68 1u3a n LYS 49 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1u3a s LEU 50 N -3.60 3.52 0.97 3.14 1.43 -0.87 -4.94 118.68 118.32 1u3a s LEU 50 Ca 0.07 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1u3a s LEU 50 Cb 0.15 -4.52 0.15 0.00 0.03 0.00 0.00 46.19 42.01 1u3a s LEU 50 CO 0.74 -0.92 0.98 -2.65 0.23 0.00 0.00 176.35 174.73 1u3a n PRO 51 N -1.94 -0.75 0.23 1.29 -0.02 -1.26 -4.93 135.00 127.60 1u3a n PRO 51 Ca 0.08 -0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.49 1u3a n PRO 51 Cb 0.53 -2.25 0.50 0.00 -0.02 0.00 0.00 33.50 32.27 1u3a n PRO 51 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1u3a h GLU 52 N -1.97 0.00 0.14 -0.52 9.09 -1.98 -3.14 114.58 116.20 1u3a h GLU 52 Ca -0.46 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 58.94 1u3a h GLU 52 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1u3a h GLU 52 CO 0.41 0.23 -0.07 0.78 0.05 0.00 0.00 179.01 180.41 1u3a h GLY 53 N 1.75 -0.20 -5.99 1.06 0.00 -2.04 -3.46 103.07 94.19 1u3a h GLY 53 Ca -0.00 0.07 -0.70 0.00 0.00 0.00 0.00 47.33 46.70 1u3a h GLY 53 CO 0.03 -0.07 0.83 -0.62 0.00 0.00 0.00 176.54 176.71 1u3a n VAL 54 N -4.91 0.27 -4.17 4.60 0.31 -1.19 -4.97 118.33 108.27 1u3a n VAL 54 Ca -0.08 -0.05 -0.35 0.00 -0.01 0.00 0.00 64.34 63.86 1u3a n VAL 54 Cb 0.27 -1.25 -0.13 0.00 -0.91 0.00 0.00 33.84 31.83 1u3a n VAL 54 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1u3a s LYS 55 N 2.84 3.59 -0.49 5.55 2.20 -1.26 -4.85 119.74 127.32 1u3a s LYS 55 Ca 0.94 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 55.84 1u3a s LYS 55 Cb -0.97 -3.01 0.07 0.00 -1.51 0.00 0.00 37.83 32.41 1u3a s LYS 55 CO 0.58 0.06 0.47 -1.64 -0.36 0.00 0.00 175.35 174.46 1u3a s MET 56 N 0.86 3.02 0.17 4.03 -1.94 -1.26 -2.87 119.30 121.32 1u3a s MET 56 Ca 0.00 -1.25 -0.10 0.00 -1.71 0.00 0.00 55.69 52.63 1u3a s MET 56 Cb -0.14 -4.13 -0.07 0.00 2.01 0.00 0.00 34.83 32.49 1u3a s MET 56 CO 0.02 -1.10 0.50 0.99 -0.01 0.00 0.00 175.02 175.42 1u3a s THR 57 N 1.92 4.97 -0.10 2.05 2.01 0.10 -4.97 115.64 121.62 1u3a s THR 57 Ca 0.07 0.50 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 1u3a s THR 57 Cb -0.23 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.66 1u3a s THR 57 CO 0.08 0.07 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.31 1u3a s LYS 58 N -2.45 0.89 -0.11 4.92 2.20 -1.26 -0.10 119.74 123.82 1u3a s LYS 58 Ca 0.42 -0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1u3a s LYS 58 Cb -0.13 -1.28 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 1u3a s LYS 58 CO 0.21 -0.33 0.08 0.71 -0.36 0.00 0.00 175.35 175.66 1u3a s TYR 59 N 1.88 3.40 0.39 4.03 2.02 -0.52 -4.98 117.35 123.57 1u3a s TYR 59 Ca 0.04 0.36 -0.23 0.00 -0.37 0.00 0.00 57.07 56.87 1u3a s TYR 59 Cb -0.13 -1.90 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 1u3a s TYR 59 CO -0.06 0.58 0.97 -1.58 -1.57 0.00 0.00 175.55 173.88 1u3a s HIS 60 N -0.84 3.44 -0.02 2.71 5.65 -1.26 -1.31 115.29 123.66 1u3a s HIS 60 Ca 0.13 1.68 0.04 0.00 0.25 0.00 0.00 55.06 57.16 1u3a s HIS 60 Cb -0.12 -2.93 -0.01 0.00 -1.18 0.00 0.00 32.58 28.35 1u3a s HIS 60 CO 0.03 -0.10 -0.14 0.08 -0.65 0.00 0.00 174.74 173.96 1u3a s VAL 61 N -1.88 1.11 -0.92 0.89 1.01 0.29 -4.79 120.40 116.11 1u3a s VAL 61 Ca 0.57 -0.59 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 1u3a s VAL 61 Cb -0.15 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.46 1u3a s VAL 61 CO 0.20 0.32 1.04 0.21 0.00 0.00 0.00 175.10 176.86 1u3a s ASN 62 N -0.24 6.72 -0.59 3.32 2.47 -1.26 -4.48 114.94 120.88 1u3a s ASN 62 Ca 0.04 -2.34 -0.22 0.00 0.42 0.00 0.00 52.86 50.76 1u3a s ASN 62 Cb -0.06 -2.34 0.06 0.00 -1.45 0.00 0.00 41.25 37.46 1u3a s ASN 62 CO -0.00 -0.88 0.85 -0.36 -3.72 0.00 0.00 177.10 172.99 1u3a s PHE 63 N 1.76 2.83 -1.39 0.43 2.99 -1.26 -4.51 117.98 118.83 1u3a s PHE 63 Ca 0.29 -0.46 -0.07 0.00 0.00 0.00 0.00 56.93 56.69 1u3a s PHE 63 Cb -0.06 -4.04 0.03 0.00 0.00 0.00 0.00 43.02 38.95 1u3a s PHE 63 CO -0.09 -1.39 0.92 -1.33 -0.00 0.00 0.00 175.22 173.33 1u3a n MET 64 N 7.13 -5.85 0.00 0.44 2.81 -1.26 -4.89 117.12 115.51 1u3a n MET 64 Ca -0.04 0.67 0.08 0.00 -1.81 0.00 0.00 57.70 56.61 1u3a n MET 64 Cb 0.46 -5.49 0.05 0.00 -0.71 0.00 0.00 33.22 27.52 1u3a n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u3a n GLY 65 N -1.64 0.19 7.00 3.03 0.00 -1.26 -5.01 105.19 107.50 1u3a n GLY 65 Ca -0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1u3a n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3a n GLY 66 N 1.03 2.37 0.27 -0.02 0.00 -1.26 -1.74 105.19 105.84 1u3a n GLY 66 Ca 0.09 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.75 1u3a n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1u3a h ASP 67 N 4.62 0.82 -0.94 1.61 3.32 -1.99 -2.43 116.42 121.44 1u3a h ASP 67 Ca 0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.76 1u3a h ASP 67 Cb 0.00 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1u3a h ASP 67 CO 0.00 1.01 0.58 0.25 -1.72 0.00 0.00 179.24 179.36 1u3a h LEU 68 N 0.71 1.11 -0.88 1.55 6.46 -1.86 -1.15 115.31 121.25 1u3a h LEU 68 Ca 0.10 -0.06 -0.11 0.00 -0.12 0.00 0.00 57.88 57.69 1u3a h LEU 68 Cb 0.72 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1u3a h LEU 68 CO 0.06 0.84 -0.41 1.23 -0.62 0.00 0.00 178.44 179.53 1u3a h GLY 69 N 1.29 0.34 0.72 3.75 0.00 -1.05 -0.29 103.07 107.83 1u3a h GLY 69 Ca 0.34 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1u3a h GLY 69 CO -0.07 0.30 -0.02 1.70 0.00 0.00 0.00 176.54 178.45 1u3a h LYS 70 N 0.26 0.19 -0.68 4.80 3.64 -0.99 -0.69 116.57 123.10 1u3a h LYS 70 Ca 0.02 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1u3a h LYS 70 Cb 0.84 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 1u3a h LYS 70 CO 0.07 0.50 0.45 -0.44 -2.27 0.00 0.00 179.45 177.76 1u3a h ASP 71 N -0.13 0.55 -0.41 4.20 3.32 -0.98 -1.79 116.42 121.19 1u3a h ASP 71 Ca 0.03 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 1u3a h ASP 71 Cb 0.43 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1u3a h ASP 71 CO 0.01 0.34 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.59 1u3a h LEU 72 N 0.61 0.89 -0.86 1.55 3.38 -0.75 0.56 115.31 120.69 1u3a h LEU 72 Ca 0.31 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1u3a h LEU 72 Cb 0.40 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 1u3a h LEU 72 CO -0.10 1.10 0.57 0.74 0.09 0.00 0.00 178.44 180.84 1u3a h THR 73 N 0.67 1.21 -0.63 0.22 2.02 -0.56 0.30 112.91 116.14 1u3a h THR 73 Ca 0.09 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 1u3a h THR 73 Cb 0.77 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1u3a h THR 73 CO 0.06 0.21 0.25 -0.61 0.37 0.00 0.00 175.52 175.80 1u3a h GLN 74 N 1.15 0.95 -0.27 6.66 4.15 -1.15 -0.92 115.11 125.68 1u3a h GLN 74 Ca 0.32 -0.18 -0.09 0.00 0.77 0.00 0.00 58.65 59.47 1u3a h GLN 74 Cb -0.12 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.41 1u3a h GLN 74 CO -0.07 0.81 -0.20 0.00 -1.93 0.00 0.00 178.83 177.43 1u3a h ALA 75 N 1.10 1.14 -0.54 3.38 0.00 -0.60 -0.37 119.26 123.37 1u3a h ALA 75 Ca 0.21 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1u3a h ALA 75 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1u3a h ALA 75 CO -0.02 0.54 -0.03 2.35 0.00 0.00 0.00 179.25 182.10 1u3a h TRP 76 N 0.45 1.07 -0.73 0.00 2.91 -0.68 0.11 115.95 119.07 1u3a h TRP 76 Ca 0.07 -0.20 0.13 0.00 1.13 0.00 0.00 58.89 60.03 1u3a h TRP 76 Cb 0.60 -0.27 -0.09 0.00 -0.51 0.00 0.00 29.16 28.89 1u3a h TRP 76 CO 0.02 0.98 0.30 0.00 -1.03 0.00 0.00 178.44 178.71 1u3a h ALA 77 N 0.95 1.02 -0.07 2.65 0.00 -0.68 0.71 119.26 123.84 1u3a h ALA 77 Ca 0.15 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1u3a h ALA 77 Cb 0.57 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1u3a h ALA 77 CO 0.03 -0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.36 1u3a h VAL 78 N 0.46 0.94 -0.93 0.00 2.07 -0.38 -0.10 116.25 118.31 1u3a h VAL 78 Ca 0.39 -0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.03 1u3a h VAL 78 Cb 0.56 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.18 1u3a h VAL 78 CO -0.37 0.00 0.56 0.00 0.02 0.00 0.00 177.57 177.78 1u3a h ALA 79 N 1.06 1.39 0.24 1.67 0.00 -0.35 -0.24 119.26 123.03 1u3a h ALA 79 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1u3a h ALA 79 Cb 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1u3a h ALA 79 CO -0.07 0.14 -0.11 0.52 0.00 0.00 0.00 179.25 179.73 1u3a h MET 80 N 0.88 -0.31 -0.86 0.00 2.86 -0.45 -0.05 114.93 117.00 1u3a h MET 80 Ca 0.47 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.29 1u3a h MET 80 Cb 0.48 0.07 -0.10 0.00 0.06 0.00 0.00 31.60 32.11 1u3a h MET 80 CO -0.28 0.03 0.43 0.00 1.06 0.00 0.00 176.91 178.15 1u3a h ALA 81 N -0.05 1.32 -0.00 6.32 0.00 -0.78 -2.33 119.26 123.73 1u3a h ALA 81 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u3a h ALA 81 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u3a h ALA 81 CO 0.05 -0.15 -0.23 1.28 0.00 0.00 0.00 179.25 180.21 1u3a n LEU 82 N -4.91 0.63 -2.83 0.00 4.77 -0.12 -4.97 117.00 109.57 1u3a n LEU 82 Ca 0.18 -0.05 -0.20 0.00 -0.03 0.00 0.00 56.01 55.92 1u3a n LEU 82 Cb 0.49 -0.20 0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1u3a n LEU 82 CO 0.19 0.12 0.08 0.61 -1.33 0.00 0.00 177.39 177.06 1u3a n GLY 83 N 1.36 -0.35 0.48 -0.72 0.00 -0.31 -4.93 105.19 100.72 1u3a n GLY 83 Ca 0.11 0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1u3a n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u3a n VAL 84 N -4.47 1.96 -0.29 1.61 0.24 -0.19 -4.74 118.33 112.45 1u3a n VAL 84 Ca -0.06 -1.93 0.07 0.00 -2.04 0.00 0.00 64.34 60.38 1u3a n VAL 84 Cb 0.59 -0.15 0.22 0.00 -1.47 0.00 0.00 33.84 33.02 1u3a n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1u3a h GLU 85 N 0.95 0.59 0.00 7.34 3.07 -1.92 -0.55 114.58 124.07 1u3a h GLU 85 Ca 0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1u3a h GLU 85 Cb 1.15 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1u3a h GLU 85 CO 0.10 0.39 -0.14 -0.44 -1.40 0.00 0.00 179.01 177.52 1u3a h ASP 86 N 0.61 0.00 1.54 1.42 3.32 -1.93 -1.44 116.42 119.93 1u3a h ASP 86 Ca 0.45 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.42 1u3a h ASP 86 Cb 0.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1u3a h ASP 86 CO -0.36 0.14 -0.47 0.11 -1.72 0.00 0.00 179.24 176.94 1u3a h LYS 87 N 0.00 0.00 0.00 3.56 1.57 -1.46 -3.39 116.57 116.85 1u3a h LYS 87 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1u3a h LYS 87 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1u3a h LYS 87 CO 0.02 0.39 -0.35 1.33 -0.57 0.00 0.00 179.45 180.27 1u3a n VAL 88 N -3.18 0.00 0.10 0.50 0.24 -1.08 -4.67 118.33 110.24 1u3a n VAL 88 Ca 0.02 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 1u3a n VAL 88 Cb 0.70 0.87 -0.07 0.00 -1.47 0.00 0.00 33.84 33.88 1u3a n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1u3a h THR 89 N 0.00 0.16 0.15 3.34 2.02 -1.47 -1.94 112.91 115.18 1u3a h THR 89 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1u3a h THR 89 Cb 0.08 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1u3a h THR 89 CO 0.00 0.00 -0.07 0.58 0.37 0.00 0.00 175.52 176.40 1u3a h VAL 90 N -0.62 0.85 0.00 3.16 2.07 -1.86 -1.38 116.25 118.47 1u3a h VAL 90 Ca 0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1u3a h VAL 90 Cb 0.66 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1u3a h VAL 90 CO -0.26 0.00 -0.10 -0.65 0.02 0.00 0.00 177.57 176.58 1u3a h PRO 91 N -0.20 0.00 -0.05 1.57 0.11 -1.83 0.46 132.00 132.06 1u3a h PRO 91 Ca -0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1u3a h PRO 91 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1u3a h PRO 91 CO 0.03 0.10 -0.18 -0.07 -0.21 0.00 0.00 178.00 177.67 1u3a h LEU 92 N 0.00 0.24 -0.25 2.35 3.38 -1.08 -0.56 115.31 119.40 1u3a h LEU 92 Ca -0.00 -0.63 0.02 0.00 0.09 0.00 0.00 57.88 57.36 1u3a h LEU 92 Cb 0.18 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1u3a h LEU 92 CO 0.01 0.83 0.11 0.15 0.09 0.00 0.00 178.44 179.63 1u3a h PHE 93 N -0.33 0.21 -0.46 1.13 3.04 -0.91 -1.04 116.94 118.57 1u3a h PHE 93 Ca -0.01 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1u3a h PHE 93 Cb 0.81 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.24 1u3a h PHE 93 CO 0.13 0.11 0.22 0.93 -2.02 0.00 0.00 178.31 177.69 1u3a h GLU 94 N 0.24 0.67 -0.06 1.11 5.08 -0.11 -1.15 114.58 120.36 1u3a h GLU 94 Ca 0.10 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1u3a h GLU 94 Cb 0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1u3a h GLU 94 CO -0.08 0.57 -0.24 0.78 -1.00 0.00 0.00 179.01 179.03 1u3a h GLY 95 N 0.60 0.12 1.04 -3.84 0.00 -0.95 0.34 103.07 100.37 1u3a h GLY 95 Ca 0.16 -0.08 -0.26 0.00 0.00 0.00 0.00 47.33 47.14 1u3a h GLY 95 CO -0.02 0.07 -1.13 -2.08 0.00 0.00 0.00 176.54 173.38 1u3a h VAL 96 N 0.10 1.36 0.00 4.60 2.07 -1.03 0.10 116.25 123.46 1u3a h VAL 96 Ca 0.02 -2.51 -0.32 0.00 0.82 0.00 0.00 66.70 64.70 1u3a h VAL 96 Cb 0.49 2.94 -0.05 0.00 -1.52 0.00 0.00 31.29 33.15 1u3a h VAL 96 CO 0.03 0.74 -2.13 0.00 0.02 0.00 0.00 177.57 176.24 1u3a n GLN 97 N -3.91 0.46 -0.03 1.57 6.02 -0.45 -4.29 117.38 116.75 1u3a n GLN 97 Ca -0.14 0.15 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 1u3a n GLN 97 Cb 0.94 -1.31 -0.01 0.00 1.02 0.00 0.00 30.24 30.89 1u3a n GLN 97 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1u3a h LYS 98 N -0.38 0.00 0.00 -1.09 1.57 -0.52 -3.39 116.57 112.76 1u3a h LYS 98 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1u3a h LYS 98 Cb 1.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1u3a h LYS 98 CO -0.20 0.00 -0.06 1.79 -0.57 0.00 0.00 179.45 180.42 1u3a h THR 99 N -0.45 0.00 -5.91 -0.16 1.35 -1.45 -3.48 112.91 102.83 1u3a h THR 99 Ca 0.00 -0.72 -0.42 0.00 -0.55 0.00 0.00 66.41 64.71 1u3a h THR 99 Cb 0.19 1.69 -0.13 0.00 -1.73 0.00 0.00 68.15 68.17 1u3a h THR 99 CO 0.00 0.00 -0.63 0.00 -0.25 0.00 0.00 175.52 174.64 1u3a n GLN 100 N -2.64 -3.26 0.05 4.72 6.02 -1.07 -4.87 117.38 116.33 1u3a n GLN 100 Ca 0.05 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.58 1u3a n GLN 100 Cb 0.48 -5.12 0.41 0.00 1.02 0.00 0.00 30.24 27.03 1u3a n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1u3a n THR 101 N -4.03 0.26 -3.46 5.09 -2.24 0.18 -4.70 114.28 105.38 1u3a n THR 101 Ca 0.02 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1u3a n THR 101 Cb 0.52 -0.34 -0.08 0.00 -2.10 0.00 0.00 70.33 68.32 1u3a n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1u3a s ILE 102 N -3.06 4.91 0.00 2.28 1.01 -0.19 -4.80 121.20 121.35 1u3a s ILE 102 Ca 0.11 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1u3a s ILE 102 Cb 0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1u3a s ILE 102 CO 0.61 -0.54 0.00 0.54 0.00 0.00 0.00 174.94 175.55 1u3a n ARG 103 N 5.11 2.80 -4.13 2.79 5.12 -1.26 -4.63 116.66 122.46 1u3a n ARG 103 Ca -0.12 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.69 1u3a n ARG 103 Cb 0.44 -0.30 -0.09 0.00 -1.16 0.00 0.00 32.46 31.35 1u3a n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1u3a s SER 104 N -0.43 0.10 0.38 0.55 1.04 -1.26 -4.88 113.70 109.19 1u3a s SER 104 Ca 0.00 -1.22 0.05 0.00 0.48 0.00 0.00 55.95 55.26 1u3a s SER 104 Cb 0.00 0.42 0.75 0.00 0.10 0.00 0.00 66.02 67.30 1u3a s SER 104 CO 0.00 -0.90 2.01 0.00 0.98 0.00 0.00 173.24 175.32 1u3a h ALA 105 N 2.55 1.67 0.00 5.32 0.00 -1.96 -0.99 119.26 125.84 1u3a h ALA 105 Ca -0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1u3a h ALA 105 Cb 1.24 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1u3a h ALA 105 CO 0.49 0.27 -0.10 0.66 0.00 0.00 0.00 179.25 180.58 1u3a h SER 106 N 0.72 0.00 0.39 0.00 4.64 -1.99 -2.04 113.55 115.26 1u3a h SER 106 Ca 0.24 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.42 1u3a h SER 106 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1u3a h SER 106 CO -0.06 0.10 -0.56 0.44 -0.87 0.00 0.00 176.83 175.88 1u3a h ASP 107 N 0.00 0.20 0.12 4.97 3.32 -1.51 -0.72 116.42 122.80 1u3a h ASP 107 Ca -0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1u3a h ASP 107 Cb 0.64 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1u3a h ASP 107 CO 0.01 0.72 -0.06 0.40 -1.72 0.00 0.00 179.24 178.59 1u3a h ILE 108 N 0.14 1.00 -0.77 0.35 1.08 -1.37 -2.42 117.51 115.51 1u3a h ILE 108 Ca -0.00 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 1u3a h ILE 108 Cb 1.02 1.32 -0.07 0.00 -3.07 0.00 0.00 36.82 36.02 1u3a h ILE 108 CO 0.08 0.12 0.43 -0.09 -0.69 0.00 0.00 178.15 178.00 1u3a h ARG 109 N -0.40 0.71 -0.83 2.37 2.43 -1.19 -0.25 114.38 117.22 1u3a h ARG 109 Ca -0.02 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1u3a h ARG 109 Cb 0.33 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1u3a h ARG 109 CO 0.03 0.47 0.54 -0.44 -1.51 0.00 0.00 179.97 179.06 1u3a h ASP 110 N 0.74 0.73 -0.47 -3.80 3.32 -1.05 -0.54 116.42 115.35 1u3a h ASP 110 Ca 0.36 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 1u3a h ASP 110 Cb 0.31 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1u3a h ASP 110 CO -0.23 0.44 0.15 0.58 -1.72 0.00 0.00 179.24 178.47 1u3a h VAL 111 N 0.82 1.22 -0.33 -1.35 2.07 -0.54 -1.64 116.25 116.50 1u3a h VAL 111 Ca 0.38 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1u3a h VAL 111 Cb 0.38 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1u3a h VAL 111 CO -0.15 0.27 0.13 -0.26 0.02 0.00 0.00 177.57 177.59 1u3a h PHE 112 N 0.63 0.50 0.59 1.57 -1.00 -0.71 -0.94 116.94 117.59 1u3a h PHE 112 Ca 0.15 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1u3a h PHE 112 Cb 0.26 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 1u3a h PHE 112 CO 0.01 0.47 -0.46 0.82 -1.61 0.00 0.00 178.31 177.54 1u3a h ILE 113 N 0.38 0.00 -0.81 -0.55 2.04 -1.11 -0.21 117.51 117.26 1u3a h ILE 113 Ca 0.11 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.20 1u3a h ILE 113 Cb 0.18 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 1u3a h ILE 113 CO -0.01 0.00 0.64 0.78 0.00 0.00 0.00 178.15 179.56 1u3a h ASN 114 N -1.02 0.00 0.82 1.72 2.35 -1.29 1.07 115.58 119.23 1u3a h ASN 114 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1u3a h ASN 114 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.22 1u3a h ASN 114 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1u3a n ALA 115 N -2.60 2.37 0.00 -0.83 0.00 -0.36 -4.92 120.51 114.17 1u3a n ALA 115 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1u3a n ALA 115 Cb 0.93 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1u3a n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u3a n GLY 116 N 1.36 1.01 3.70 0.00 0.00 0.37 -5.04 105.19 106.60 1u3a n GLY 116 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1u3a n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3a s ILE 117 N -2.00 4.27 0.26 -0.61 -1.09 -0.18 -4.97 121.20 116.88 1u3a s ILE 117 Ca 0.00 1.61 -0.30 0.00 -2.23 0.00 0.00 60.65 59.73 1u3a s ILE 117 Cb 0.00 -4.04 -0.11 0.00 -1.58 0.00 0.00 42.46 36.74 1u3a s ILE 117 CO 0.00 0.07 1.52 -0.54 -1.23 0.00 0.00 174.94 174.76 1u3a s LYS 118 N 1.52 4.20 0.18 2.79 1.02 -1.26 -3.85 119.74 124.34 1u3a s LYS 118 Ca 0.56 2.43 -0.25 0.00 0.02 0.00 0.00 55.97 58.74 1u3a s LYS 118 Cb -0.26 -3.08 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 1u3a s LYS 118 CO 0.26 -0.53 1.56 0.78 -0.92 0.00 0.00 175.35 176.50 1u3a h GLY 119 N 5.11 -0.40 1.43 -3.33 0.00 -1.95 0.11 103.07 104.05 1u3a h GLY 119 Ca -0.46 0.57 0.02 0.00 0.00 0.00 0.00 47.33 47.46 1u3a h GLY 119 CO 0.80 -0.15 0.33 1.05 0.00 0.00 0.00 176.54 178.57 1u3a h GLU 120 N -0.18 0.58 -0.38 4.80 9.09 -1.99 0.28 114.58 126.78 1u3a h GLU 120 Ca 0.20 -0.03 -0.07 0.00 0.05 0.00 0.00 59.36 59.51 1u3a h GLU 120 Cb 0.56 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1u3a h GLU 120 CO -0.75 0.38 -0.02 1.49 0.05 0.00 0.00 179.01 180.17 1u3a h GLU 121 N 0.59 0.69 0.12 1.06 4.81 -1.71 -1.84 114.58 118.31 1u3a h GLU 121 Ca 0.20 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1u3a h GLU 121 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1u3a h GLU 121 CO -0.05 0.80 -0.12 -0.92 -0.73 0.00 0.00 179.01 178.00 1u3a h TYR 122 N 0.51 -0.30 -0.77 0.92 5.03 0.24 -2.24 116.97 120.36 1u3a h TYR 122 Ca 0.11 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 1u3a h TYR 122 Cb 0.50 0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1u3a h TYR 122 CO 0.04 -0.18 0.39 -0.44 -1.32 0.00 0.00 178.16 176.65 1u3a h ASP 123 N -0.26 0.97 -0.20 -2.11 3.32 -0.96 0.25 116.42 117.42 1u3a h ASP 123 Ca 0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1u3a h ASP 123 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1u3a h ASP 123 CO -0.03 0.80 -0.07 0.00 -1.72 0.00 0.00 179.24 178.22 1u3a h ALA 124 N 1.35 0.28 -0.13 3.45 0.00 -1.26 -2.00 119.26 120.95 1u3a h ALA 124 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u3a h ALA 124 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1u3a h ALA 124 CO -0.04 0.08 0.06 0.00 0.00 0.00 0.00 179.25 179.35 1u3a h ALA 125 N 0.72 0.17 -0.82 0.00 0.00 -1.05 -1.85 119.26 116.42 1u3a h ALA 125 Ca 0.05 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1u3a h ALA 125 Cb 0.53 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.14 1u3a h ALA 125 CO 0.02 -0.26 0.13 2.35 0.00 0.00 0.00 179.25 181.50 1u3a h TRP 126 N 0.07 0.16 -0.11 0.00 2.91 -0.47 0.01 115.95 118.52 1u3a h TRP 126 Ca 0.04 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.12 1u3a h TRP 126 Cb 0.15 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 28.86 1u3a h TRP 126 CO -0.02 -0.22 0.00 0.09 -1.03 0.00 0.00 178.44 177.26 1u3a n ASN 127 N -5.28 1.22 -4.83 2.65 3.02 -0.76 -4.79 115.26 106.48 1u3a n ASN 127 Ca 0.18 -1.60 -0.32 0.00 -0.03 0.00 0.00 54.58 52.80 1u3a n ASN 127 Cb 0.58 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.68 1u3a n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1u3a s SER 128 N -1.62 6.18 0.34 6.41 1.04 -0.01 -4.93 113.70 121.11 1u3a s SER 128 Ca 0.32 1.61 0.16 0.00 0.48 0.00 0.00 55.95 58.52 1u3a s SER 128 Cb 0.17 -2.51 0.58 0.00 0.10 0.00 0.00 66.02 64.36 1u3a s SER 128 CO 0.26 -0.89 1.69 -0.26 0.98 0.00 0.00 173.24 175.02 1u3a h PHE 129 N 0.35 0.00 -0.31 5.02 -1.00 -1.91 -2.13 116.94 116.96 1u3a h PHE 129 Ca -0.46 0.00 0.05 0.00 2.81 0.00 0.00 57.97 60.37 1u3a h PHE 129 Cb 1.20 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.71 1u3a h PHE 129 CO 0.63 0.44 0.02 0.28 -1.61 0.00 0.00 178.31 178.07 1u3a h VAL 130 N 0.00 0.80 -0.48 -0.55 2.07 -1.92 0.97 116.25 117.13 1u3a h VAL 130 Ca -0.00 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 1u3a h VAL 130 Cb 0.96 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1u3a h VAL 130 CO 0.06 0.02 -0.16 0.58 0.02 0.00 0.00 177.57 178.09 1u3a h VAL 131 N 0.12 1.27 -0.73 2.57 2.07 -1.76 0.14 116.25 119.92 1u3a h VAL 131 Ca 0.15 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1u3a h VAL 131 Cb 0.19 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1u3a h VAL 131 CO -0.23 0.45 0.24 0.50 0.02 0.00 0.00 177.57 178.54 1u3a h LYS 132 N 0.82 1.13 -0.47 1.57 3.64 -1.02 0.02 116.57 122.25 1u3a h LYS 132 Ca 0.12 -0.24 -0.13 0.00 -1.27 0.00 0.00 60.65 59.14 1u3a h LYS 132 Cb 0.70 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1u3a h LYS 132 CO 0.05 0.96 -0.20 1.03 -2.27 0.00 0.00 179.45 179.03 1u3a h SER 133 N 1.08 0.97 -0.54 4.20 0.87 -0.47 -2.60 113.55 117.07 1u3a h SER 133 Ca 0.24 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 1u3a h SER 133 Cb 0.30 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1u3a h SER 133 CO -0.01 1.13 0.20 -0.07 -0.53 0.00 0.00 176.83 177.56 1u3a h LEU 134 N 0.83 0.79 0.21 2.23 4.07 -0.19 0.54 115.31 123.79 1u3a h LEU 134 Ca 0.11 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1u3a h LEU 134 Cb 0.76 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1u3a h LEU 134 CO 0.06 0.73 -0.10 0.58 -1.08 0.00 0.00 178.44 178.63 1u3a h VAL 135 N 0.84 0.80 -0.83 1.22 2.07 -0.94 -1.01 116.25 118.39 1u3a h VAL 135 Ca 0.19 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.78 1u3a h VAL 135 Cb 0.21 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1u3a h VAL 135 CO -0.01 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.12 1u3a h ALA 136 N 0.50 1.65 -0.36 1.67 0.00 -1.25 -1.56 119.26 119.91 1u3a h ALA 136 Ca -0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1u3a h ALA 136 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1u3a h ALA 136 CO 0.05 0.20 -0.27 1.96 0.00 0.00 0.00 179.25 181.19 1u3a h GLN 137 N 0.85 0.82 -0.31 0.00 4.20 -0.66 0.08 115.11 120.10 1u3a h GLN 137 Ca 0.37 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 1u3a h GLN 137 Cb 0.33 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1u3a h GLN 137 CO -0.14 1.03 0.19 1.96 -0.67 0.00 0.00 178.83 181.20 1u3a h GLN 138 N 0.62 0.41 -0.07 1.46 4.20 -0.92 -1.98 115.11 118.82 1u3a h GLN 138 Ca 0.07 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1u3a h GLN 138 Cb 0.84 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.53 1u3a h GLN 138 CO 0.07 0.30 0.03 0.93 -0.67 0.00 0.00 178.83 179.50 1u3a h GLU 139 N 0.40 0.10 -0.56 1.46 5.08 -1.23 -2.88 114.58 116.95 1u3a h GLU 139 Ca 0.11 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1u3a h GLU 139 Cb -0.01 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1u3a h GLU 139 CO -0.02 0.20 0.16 -0.22 -1.00 0.00 0.00 179.01 178.13 1u3a h LYS 140 N -0.02 0.84 -0.19 2.33 3.64 -0.92 -2.39 116.57 119.86 1u3a h LYS 140 Ca 0.02 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1u3a h LYS 140 Cb 0.13 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1u3a h LYS 140 CO -0.00 0.73 0.02 0.00 -2.27 0.00 0.00 179.45 177.93 1u3a h ALA 141 N 1.36 0.26 -0.77 5.00 0.00 -1.37 0.42 119.26 124.16 1u3a h ALA 141 Ca 0.18 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1u3a h ALA 141 Cb 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1u3a h ALA 141 CO -0.01 -0.05 0.46 0.00 0.00 0.00 0.00 179.25 179.65 1u3a h ALA 142 N 0.81 1.04 -0.40 0.00 0.00 -1.39 -1.74 119.26 117.58 1u3a h ALA 142 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1u3a h ALA 142 Cb 0.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1u3a h ALA 142 CO 0.01 0.17 -0.19 0.00 0.00 0.00 0.00 179.25 179.24 1u3a h ALA 143 N 1.38 0.92 -0.76 0.00 0.00 -1.14 0.03 119.26 119.69 1u3a h ALA 143 Ca 0.34 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1u3a h ALA 143 Cb 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1u3a h ALA 143 CO -0.17 0.62 0.38 -0.44 0.00 0.00 0.00 179.25 179.63 1u3a h ASP 144 N 0.67 0.97 -0.46 0.00 3.32 0.34 -2.05 116.42 119.22 1u3a h ASP 144 Ca 0.10 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1u3a h ASP 144 Cb 0.68 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1u3a h ASP 144 CO 0.05 0.81 0.00 1.33 -1.72 0.00 0.00 179.24 179.71 1u3a n VAL 145 N -4.33 0.62 -4.12 -1.35 0.24 -0.70 -4.87 118.33 103.81 1u3a n VAL 145 Ca 0.07 -0.63 -0.44 0.00 -2.04 0.00 0.00 64.34 61.31 1u3a n VAL 145 Cb 0.13 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1u3a n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u3a n GLN 146 N 0.88 -0.32 -1.69 7.34 6.02 -0.77 -4.82 117.38 124.02 1u3a n GLN 146 Ca 0.16 0.04 -0.44 0.00 -0.01 0.00 0.00 57.00 56.75 1u3a n GLN 146 Cb 0.40 -2.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.10 1u3a n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1u3a n LEU 147 N -4.94 3.56 -0.00 1.08 7.94 -0.02 -4.91 117.00 119.71 1u3a n LEU 147 Ca -0.14 1.06 0.05 0.00 -1.11 0.00 0.00 56.01 55.87 1u3a n LEU 147 Cb 0.57 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 1u3a n LEU 147 CO 0.75 -0.04 -0.32 0.54 -1.11 0.00 0.00 177.39 177.20 1u3a n ARG 148 N 4.03 1.94 -3.75 1.96 5.12 -1.26 -5.00 116.66 119.70 1u3a n ARG 148 Ca 0.17 -0.05 -0.02 0.00 -1.93 0.00 0.00 57.85 56.02 1u3a n ARG 148 Cb 0.32 -1.13 -0.01 0.00 -1.16 0.00 0.00 32.46 30.49 1u3a n ARG 148 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1u3a s GLY 149 N -2.62 -0.21 0.05 -0.13 0.00 -1.26 -5.16 107.32 97.98 1u3a s GLY 149 Ca 0.00 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1u3a s GLY 149 CO 0.45 0.50 -0.07 -1.34 0.00 0.00 0.00 173.10 172.64 1u3a s VAL 150 N -2.90 0.51 0.76 1.40 -7.23 -1.26 -4.28 120.40 107.40 1u3a s VAL 150 Ca 0.14 -1.25 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1u3a s VAL 150 Cb -0.00 -0.81 0.05 0.00 0.56 0.00 0.00 36.38 36.18 1u3a s VAL 150 CO 0.01 -0.52 1.10 -2.16 -0.31 0.00 0.00 175.10 173.23 1u3a s PRO 151 N -2.09 2.25 0.05 4.82 0.04 -1.26 -4.55 135.00 134.26 1u3a s PRO 151 Ca -0.06 1.25 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 1u3a s PRO 151 Cb -0.06 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.60 1u3a s PRO 151 CO -0.01 -1.66 0.30 0.00 0.04 0.00 0.00 177.00 175.67 1u3a s ALA 152 N -2.76 -0.65 -0.10 8.56 0.00 -1.09 -4.99 121.76 120.73 1u3a s ALA 152 Ca 0.63 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1u3a s ALA 152 Cb -0.18 0.36 0.04 0.00 0.00 0.00 0.00 23.12 23.34 1u3a s ALA 152 CO 0.53 -0.44 0.23 1.41 0.00 0.00 0.00 175.76 177.50 1u3a s MET 153 N -2.77 0.20 0.02 0.00 1.75 -1.26 0.01 119.30 117.25 1u3a s MET 153 Ca -0.03 0.49 0.05 0.00 -1.25 0.00 0.00 55.69 54.94 1u3a s MET 153 Cb -0.00 -0.10 -0.02 0.00 2.84 0.00 0.00 34.83 37.55 1u3a s MET 153 CO -0.05 -0.15 -0.14 -0.06 -0.65 0.00 0.00 175.02 173.98 1u3a s PHE 154 N 1.11 1.20 -0.14 4.11 0.40 -0.29 -1.04 117.98 123.32 1u3a s PHE 154 Ca -0.08 -0.31 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1u3a s PHE 154 Cb -0.09 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.71 1u3a s PHE 154 CO -0.07 0.02 -0.19 0.08 0.70 0.00 0.00 175.22 175.76 1u3a s VAL 155 N -0.68 2.39 -1.30 -0.44 1.01 -0.36 -0.39 120.40 120.63 1u3a s VAL 155 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.13 1u3a s VAL 155 Cb -0.07 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1u3a s VAL 155 CO 0.01 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.23 1u3a n ASN 156 N 3.98 -4.29 -1.79 3.32 3.02 0.22 -1.48 115.26 118.24 1u3a n ASN 156 Ca -0.19 0.19 -0.20 0.00 -0.03 0.00 0.00 54.58 54.34 1u3a n ASN 156 Cb 0.52 -3.68 -0.07 0.00 -0.61 0.00 0.00 39.78 35.94 1u3a n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u3a n GLY 157 N -0.74 1.30 0.00 7.41 0.00 -1.26 -4.73 105.19 107.17 1u3a n GLY 157 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1u3a n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u3a n LYS 158 N -2.49 1.14 -4.68 1.61 5.02 -0.55 -1.19 118.16 117.01 1u3a n LYS 158 Ca -0.21 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.78 1u3a n LYS 158 Cb 0.66 -0.74 -0.17 0.00 -0.02 0.00 0.00 35.03 34.76 1u3a n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1u3a s TYR 159 N -1.49 2.31 -0.28 2.13 2.02 -1.00 -0.53 117.35 120.51 1u3a s TYR 159 Ca 0.00 -1.08 -0.12 0.00 -0.37 0.00 0.00 57.07 55.50 1u3a s TYR 159 Cb 0.00 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.91 1u3a s TYR 159 CO 0.00 -0.51 0.22 -1.14 -1.57 0.00 0.00 175.55 172.55 1u3a s GLN 160 N 0.79 3.97 0.20 -0.62 0.74 0.35 -1.22 119.66 123.86 1u3a s GLN 160 Ca -0.09 -0.26 -0.32 0.00 0.05 0.00 0.00 55.36 54.74 1u3a s GLN 160 Cb -0.16 -3.65 -0.15 0.00 1.10 0.00 0.00 33.01 30.15 1u3a s GLN 160 CO 0.00 -0.18 1.15 1.28 -0.55 0.00 0.00 175.29 176.99 1u3a n LEU 161 N 5.07 1.70 -3.96 3.68 7.99 -0.21 -1.06 117.00 130.22 1u3a n LEU 161 Ca -0.13 1.15 -0.30 0.00 -0.01 0.00 0.00 56.01 56.71 1u3a n LEU 161 Cb 0.52 -1.25 -0.14 0.00 -0.11 0.00 0.00 43.42 42.44 1u3a n LEU 161 CO 0.34 -1.26 -0.24 0.21 -1.51 0.00 0.00 177.39 174.93 1u3a s ASN 162 N -0.09 4.44 0.26 -1.43 2.47 0.32 -4.79 114.94 116.12 1u3a s ASN 162 Ca 0.70 -2.64 -0.03 0.00 0.42 0.00 0.00 52.86 51.31 1u3a s ASN 162 Cb -0.80 -1.58 0.42 0.00 -1.45 0.00 0.00 41.25 37.83 1u3a s ASN 162 CO 0.53 -0.29 1.85 -0.65 -3.72 0.00 0.00 177.10 174.82 1u3a h PRO 163 N 6.96 0.96 0.00 0.43 0.11 -1.88 -1.05 132.00 137.54 1u3a h PRO 163 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1u3a h PRO 163 Cb 0.94 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1u3a h PRO 163 CO 0.61 0.64 0.00 0.00 -0.21 0.00 0.00 178.00 179.04 1u3a n GLN 164 N -4.62 0.56 0.00 1.05 0.00 -1.26 -1.43 117.38 111.68 1u3a n GLN 164 Ca 0.15 0.01 0.12 0.00 0.00 0.00 0.00 57.00 57.28 1u3a n GLN 164 Cb 0.24 -1.50 0.27 0.00 0.00 0.00 0.00 30.24 29.25 1u3a n GLN 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1u3a n GLY 165 N 0.14 -0.19 4.00 2.61 0.00 -0.40 -4.97 105.19 106.39 1u3a n GLY 165 Ca 0.13 -0.50 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 1u3a n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u3a s MET 166 N -2.38 2.36 -0.26 1.61 -1.94 -0.51 -4.33 119.30 113.84 1u3a s MET 166 Ca 0.25 -1.67 -0.19 0.00 -1.71 0.00 0.00 55.69 52.38 1u3a s MET 166 Cb 0.19 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 1u3a s MET 166 CO 0.49 -0.74 0.56 0.34 -0.01 0.00 0.00 175.02 175.66 1u3a s ASP 167 N -4.55 6.48 0.00 3.03 -1.08 -1.26 -4.91 116.67 114.38 1u3a s ASP 167 Ca 0.56 0.57 0.23 0.00 -0.52 0.00 0.00 52.55 53.39 1u3a s ASP 167 Cb -0.05 -2.30 0.20 0.00 -1.46 0.00 0.00 42.92 39.30 1u3a s ASP 167 CO 0.35 -0.33 1.24 0.35 0.52 0.00 0.00 175.17 177.30 1u3a n THR 168 N 5.19 0.03 0.17 1.71 -2.24 -1.26 -3.72 114.28 114.15 1u3a n THR 168 Ca -0.03 -0.51 0.13 0.00 -2.27 0.00 0.00 64.05 61.37 1u3a n THR 168 Cb 0.49 1.46 0.69 0.00 -2.10 0.00 0.00 70.33 70.87 1u3a n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u3a h SER 169 N 4.54 0.00 -4.25 3.42 4.64 -2.01 -3.42 113.55 116.47 1u3a h SER 169 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1u3a h SER 169 Cb 0.97 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.80 1u3a h SER 169 CO 0.00 0.00 -0.77 0.21 -0.87 0.00 0.00 176.83 175.40 1u3a s ASN 170 N -6.59 1.15 0.01 4.97 3.04 -1.26 -5.08 114.94 111.18 1u3a s ASN 170 Ca -0.05 -0.32 -0.24 0.00 0.04 0.00 0.00 52.86 52.29 1u3a s ASN 170 Cb 0.18 -0.08 -0.18 0.00 -1.54 0.00 0.00 41.25 39.63 1u3a s ASN 170 CO 0.67 0.02 1.35 0.24 -3.04 0.00 0.00 177.10 176.34 1u3a h MET 171 N 5.36 0.09 -0.61 0.43 2.86 -1.93 -1.22 114.93 119.91 1u3a h MET 171 Ca -0.34 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1u3a h MET 171 Cb 1.19 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 1u3a h MET 171 CO 0.46 0.48 0.08 -0.44 1.06 0.00 0.00 176.91 178.56 1u3a h ASP 172 N -0.31 0.95 -0.13 1.22 3.45 -1.98 0.14 116.42 119.77 1u3a h ASP 172 Ca 0.01 -0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 1u3a h ASP 172 Cb 0.45 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 1u3a h ASP 172 CO 0.01 0.95 0.03 0.58 -1.57 0.00 0.00 179.24 179.24 1u3a h VAL 173 N 0.93 1.19 0.11 -1.35 2.07 -1.91 -2.36 116.25 114.94 1u3a h VAL 173 Ca 0.19 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1u3a h VAL 173 Cb 0.42 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 1u3a h VAL 173 CO 0.01 0.18 -0.38 0.15 0.02 0.00 0.00 177.57 177.55 1u3a h PHE 174 N 0.01 -1.05 -0.75 1.57 3.57 -0.57 -1.39 116.94 118.33 1u3a h PHE 174 Ca 0.04 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.68 1u3a h PHE 174 Cb 0.25 0.45 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 1u3a h PHE 174 CO 0.00 -0.48 0.37 0.28 -2.23 0.00 0.00 178.31 176.25 1u3a h VAL 175 N -0.60 0.79 -0.58 1.41 2.07 -0.76 -0.94 116.25 117.64 1u3a h VAL 175 Ca 0.03 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1u3a h VAL 175 Cb 0.64 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1u3a h VAL 175 CO -0.23 0.11 -0.05 0.06 0.02 0.00 0.00 177.57 177.48 1u3a h GLN 176 N 0.59 1.04 0.00 1.57 3.07 -0.87 0.15 115.11 120.66 1u3a h GLN 176 Ca 0.39 -0.35 -0.13 0.00 0.09 0.00 0.00 58.65 58.64 1u3a h GLN 176 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.93 1u3a h GLN 176 CO -0.31 1.05 -0.64 1.96 0.09 0.00 0.00 178.83 180.98 1u3a h GLN 177 N 0.94 0.00 -0.01 0.06 4.20 -0.84 0.36 115.11 119.82 1u3a h GLN 177 Ca 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1u3a h GLN 177 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1u3a h GLN 177 CO 0.04 0.64 -0.06 -0.92 -0.67 0.00 0.00 178.83 177.86 1u3a h TYR 178 N 0.00 0.07 -0.32 2.96 5.03 -0.90 0.95 116.97 124.76 1u3a h TYR 178 Ca -0.01 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1u3a h TYR 178 Cb 1.15 -0.01 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 1u3a h TYR 178 CO 0.00 0.75 0.20 0.00 -1.32 0.00 0.00 178.16 177.79 1u3a h ALA 179 N 0.31 0.40 -0.67 1.82 0.00 -0.70 -0.47 119.26 119.95 1u3a h ALA 179 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.97 1u3a h ALA 179 Cb 0.76 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 1u3a h ALA 179 CO 0.01 -0.11 0.26 -0.44 0.00 0.00 0.00 179.25 178.97 1u3a h ASP 180 N 0.41 0.27 -0.49 0.00 3.32 -0.99 -1.22 116.42 117.72 1u3a h ASP 180 Ca 0.11 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1u3a h ASP 180 Cb -0.01 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1u3a h ASP 180 CO -0.02 0.14 0.11 0.74 -1.72 0.00 0.00 179.24 178.49 1u3a h THR 181 N 0.44 1.24 -0.40 0.35 2.02 -0.08 0.44 112.91 116.92 1u3a h THR 181 Ca 0.35 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.72 1u3a h THR 181 Cb 0.45 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1u3a h THR 181 CO -0.33 0.31 0.12 0.58 0.37 0.00 0.00 175.52 176.57 1u3a h VAL 182 N 0.67 0.85 0.07 3.16 2.07 -0.80 0.11 116.25 122.39 1u3a h VAL 182 Ca 0.15 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.60 1u3a h VAL 182 Cb 0.34 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1u3a h VAL 182 CO 0.00 0.05 -0.26 0.50 0.02 0.00 0.00 177.57 177.88 1u3a h LYS 183 N 0.27 -0.42 -0.06 1.57 3.64 -1.04 -0.21 116.57 120.32 1u3a h LYS 183 Ca 0.19 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1u3a h LYS 183 Cb 0.19 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1u3a h LYS 183 CO -0.21 -0.28 -0.46 -0.92 -2.27 0.00 0.00 179.45 175.31 1u3a h TYR 184 N -0.44 -1.34 -0.83 1.91 3.20 -0.72 -2.45 116.97 116.31 1u3a h TYR 184 Ca 0.04 0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.02 1u3a h TYR 184 Cb 0.49 0.60 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1u3a h TYR 184 CO -0.26 -0.52 0.54 -0.07 -1.64 0.00 0.00 178.16 176.21 1u3a h LEU 185 N -0.58 0.81 -2.51 2.82 4.07 -0.83 -2.28 115.31 116.81 1u3a h LEU 185 Ca 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1u3a h LEU 185 Cb 0.67 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.24 1u3a h LEU 185 CO -0.37 0.52 -0.01 0.77 -1.08 0.00 0.00 178.44 178.27 1u3a h SER 186 N 0.92 0.00 -0.45 -0.43 4.64 -0.53 -1.50 113.55 116.20 1u3a h SER 186 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1u3a h SER 186 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1u3a h SER 186 CO -0.13 0.01 0.00 -0.62 -0.87 0.00 0.00 176.83 175.23 1u3a n GLU 187 N -3.18 3.33 0.00 4.77 1.02 -0.86 -5.08 120.64 120.64 1u3a n GLU 187 Ca -0.02 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.45 1u3a n GLU 187 Cb 0.14 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1u3a n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48