#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4c s ILE 3 N 0.00 5.16 -0.26 1.69 1.01 -1.26 -2.22 121.20 125.32 1u4c s ILE 3 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 60.65 60.88 1u4c s ILE 3 Cb 0.00 -3.80 0.05 0.00 0.01 0.00 0.00 42.46 38.72 1u4c s ILE 3 CO 0.00 -0.03 -0.09 0.54 0.00 0.00 0.00 174.94 175.36 1u4c s VAL 4 N 2.07 2.46 -0.52 2.92 0.11 -0.81 -4.98 120.40 121.65 1u4c s VAL 4 Ca 0.13 -1.38 -0.28 0.00 -2.93 0.00 0.00 61.98 57.52 1u4c s VAL 4 Cb -0.16 -2.35 0.01 0.00 -1.53 0.00 0.00 36.38 32.34 1u4c s VAL 4 CO 0.11 0.07 1.48 -1.58 -3.33 0.00 0.00 175.10 171.85 1u4c s GLN 5 N 1.20 3.30 0.56 1.54 0.74 -1.26 -2.46 119.66 123.27 1u4c s GLN 5 Ca -0.05 0.63 -0.18 0.00 0.05 0.00 0.00 55.36 55.81 1u4c s GLN 5 Cb -0.18 -4.13 -0.09 0.00 1.10 0.00 0.00 33.01 29.71 1u4c s GLN 5 CO -0.05 -1.93 0.59 -0.89 -0.55 0.00 0.00 175.29 172.46 1u4c n ILE 6 N 6.97 2.39 0.32 -2.34 5.41 0.94 -4.94 119.36 128.10 1u4c n ILE 6 Ca 0.15 -0.50 0.04 0.00 1.00 0.00 0.00 62.75 63.43 1u4c n ILE 6 Cb 0.49 -0.73 -0.04 0.00 -0.71 0.00 0.00 39.64 38.64 1u4c n ILE 6 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1u4c n GLU 7 N -0.11 4.14 -2.73 0.38 4.07 -1.26 -4.57 120.64 120.56 1u4c n GLU 7 Ca 0.12 -0.01 -0.29 0.00 -0.06 0.00 0.00 57.16 56.92 1u4c n GLU 7 Cb 0.47 -0.88 -0.02 0.00 -0.06 0.00 0.00 31.44 30.95 1u4c n GLU 7 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1u4c n GLN 8 N -1.23 3.46 -2.78 5.31 0.00 -1.26 -5.05 117.38 115.83 1u4c n GLN 8 Ca 0.01 -4.68 -0.30 0.00 -0.00 0.00 0.00 57.00 52.03 1u4c n GLN 8 Cb 0.12 -2.26 -0.02 0.00 0.00 0.00 0.00 30.24 28.08 1u4c n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u4c s ALA 9 N -3.59 3.35 0.59 1.69 0.00 -1.26 -4.91 121.76 117.62 1u4c s ALA 9 Ca 0.48 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 1u4c s ALA 9 Cb 0.32 -2.70 -0.04 0.00 0.00 0.00 0.00 23.12 20.70 1u4c s ALA 9 CO -0.17 -0.10 1.14 -2.30 0.00 0.00 0.00 175.76 174.34 1u4c n PRO 10 N -1.52 1.16 0.10 0.00 -0.02 -1.26 -4.92 135.00 128.54 1u4c n PRO 10 Ca 0.02 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 1u4c n PRO 10 Cb 0.54 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1u4c n PRO 10 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1u4c h LYS 11 N 0.78 0.00 -6.02 -0.52 1.79 -1.96 -3.40 116.57 107.24 1u4c h LYS 11 Ca -0.49 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.37 1u4c h LYS 11 Cb 1.34 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.95 1u4c h LYS 11 CO 0.53 0.14 -0.34 -0.51 -1.08 0.00 0.00 179.45 178.18 1u4c s ASP 12 N -5.70 6.51 -0.17 0.86 -0.00 -1.26 -3.72 116.67 113.19 1u4c s ASP 12 Ca 0.00 0.59 -0.29 0.00 -0.00 0.00 0.00 52.55 52.85 1u4c s ASP 12 Cb 0.09 -2.10 -0.14 0.00 -0.00 0.00 0.00 42.92 40.77 1u4c s ASP 12 CO 0.78 0.17 0.91 0.00 -0.00 0.00 0.00 175.17 177.03 1u4c n TYR 13 N 0.73 0.82 -2.57 4.23 4.19 -1.26 -4.37 117.16 118.92 1u4c n TYR 13 Ca -0.08 0.75 -0.42 0.00 3.31 0.00 0.00 57.90 61.46 1u4c n TYR 13 Cb 0.52 -1.46 -0.03 0.00 0.49 0.00 0.00 39.34 38.86 1u4c n TYR 13 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 1u4c s ILE 14 N 1.05 4.48 -0.57 2.97 -1.09 -1.26 -1.26 121.20 125.52 1u4c s ILE 14 Ca 0.66 1.78 0.15 0.00 -2.23 0.00 0.00 60.65 61.01 1u4c s ILE 14 Cb -0.94 -4.14 -0.17 0.00 -1.58 0.00 0.00 42.46 35.63 1u4c s ILE 14 CO 0.47 0.13 0.57 -1.54 -1.23 0.00 0.00 174.94 173.34 1u4c n SER 15 N 3.96 0.84 -3.65 3.58 3.41 -0.88 -4.87 113.62 116.02 1u4c n SER 15 Ca 0.07 -0.69 -0.03 0.00 -0.26 0.00 0.00 58.87 57.96 1u4c n SER 15 Cb 0.49 1.12 -0.07 0.00 -0.26 0.00 0.00 64.21 65.50 1u4c n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u4c s ASP 16 N -2.62 -0.08 -0.08 4.04 2.15 -1.25 -4.64 116.67 114.18 1u4c s ASP 16 Ca 0.04 0.15 0.04 0.00 0.43 0.00 0.00 52.55 53.20 1u4c s ASP 16 Cb 0.11 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 1u4c s ASP 16 CO 0.60 -0.04 -0.21 -0.63 -0.17 0.00 0.00 175.17 174.73 1u4c s ILE 17 N -0.14 1.78 -0.02 4.11 1.01 -1.26 -1.95 121.20 124.73 1u4c s ILE 17 Ca 0.07 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1u4c s ILE 17 Cb -0.04 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 1u4c s ILE 17 CO -0.14 0.50 -0.17 -0.75 0.00 0.00 0.00 174.94 174.38 1u4c s LYS 18 N 0.35 1.50 -0.16 2.79 2.47 -0.50 -4.84 119.74 121.34 1u4c s LYS 18 Ca -0.15 -0.62 -0.02 0.00 -1.56 0.00 0.00 55.97 53.62 1u4c s LYS 18 Cb -0.17 -1.41 -0.01 0.00 -1.46 0.00 0.00 37.83 34.79 1u4c s LYS 18 CO 0.07 0.34 -0.10 0.42 0.16 0.00 0.00 175.35 176.24 1u4c s ILE 19 N -0.30 3.15 -0.68 5.43 1.01 -1.26 -1.08 121.20 127.48 1u4c s ILE 19 Ca 0.04 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 1u4c s ILE 19 Cb -0.08 -2.37 0.18 0.00 0.01 0.00 0.00 42.46 40.20 1u4c s ILE 19 CO -0.00 0.49 0.57 -0.63 0.00 0.00 0.00 174.94 175.37 1u4c s ILE 20 N 0.78 4.76 0.06 2.92 1.01 0.38 -4.98 121.20 126.13 1u4c s ILE 20 Ca -0.04 -2.41 -0.12 0.00 0.00 0.00 0.00 60.65 58.09 1u4c s ILE 20 Cb -0.15 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1u4c s ILE 20 CO 0.01 -0.92 1.14 -0.81 0.00 0.00 0.00 174.94 174.36 1u4c n PRO 21 N 4.11 -0.16 0.19 2.79 -0.04 -1.26 -1.54 135.00 139.08 1u4c n PRO 21 Ca 0.06 1.13 0.12 0.00 -0.04 0.00 0.00 63.50 64.76 1u4c n PRO 21 Cb 0.42 -1.68 0.67 0.00 -0.04 0.00 0.00 33.50 32.88 1u4c n PRO 21 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u4c h SER 22 N 0.00 0.00 -0.16 3.54 4.64 -1.96 -2.65 113.55 116.96 1u4c h SER 22 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u4c h SER 22 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1u4c h SER 22 CO -0.35 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.90 1u4c n LYS 23 N -4.45 2.11 -4.00 4.77 4.01 -0.99 -4.96 118.16 114.66 1u4c n LYS 23 Ca 0.01 -1.93 -0.33 0.00 -0.51 0.00 0.00 58.31 55.55 1u4c n LYS 23 Cb 0.24 -1.43 -0.02 0.00 -0.51 0.00 0.00 35.03 33.31 1u4c n LYS 23 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1u4c n SER 24 N 1.24 -3.57 -4.19 4.39 7.64 -0.59 -4.85 113.62 113.69 1u4c n SER 24 Ca 0.14 -0.84 -0.32 0.00 1.01 0.00 0.00 58.87 58.87 1u4c n SER 24 Cb 0.54 -2.92 -0.17 0.00 -1.01 0.00 0.00 64.21 60.65 1u4c n SER 24 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u4c s LEU 25 N -7.09 2.08 -0.18 -3.43 1.43 -1.01 -0.75 118.68 109.73 1u4c s LEU 25 Ca 0.67 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 1u4c s LEU 25 Cb -0.36 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.48 1u4c s LEU 25 CO 0.82 0.13 -0.18 -1.48 0.23 0.00 0.00 176.35 175.86 1u4c s LEU 26 N 0.53 2.23 0.37 1.79 0.05 -0.94 0.14 118.68 122.85 1u4c s LEU 26 Ca -0.14 -0.61 -0.19 0.00 0.05 0.00 0.00 54.13 53.24 1u4c s LEU 26 Cb -0.17 -1.51 -0.10 0.00 -2.05 0.00 0.00 46.19 42.36 1u4c s LEU 26 CO 0.05 0.00 0.85 -0.76 -0.55 0.00 0.00 176.35 175.94 1u4c s LEU 27 N 1.29 4.04 -0.08 1.48 1.43 -0.24 -2.68 118.68 123.92 1u4c s LEU 27 Ca 0.05 1.51 -0.05 0.00 -1.03 0.00 0.00 54.13 54.61 1u4c s LEU 27 Cb -0.13 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.86 1u4c s LEU 27 CO -0.11 -0.26 0.19 -0.63 0.23 0.00 0.00 176.35 175.77 1u4c s ILE 28 N -2.03 -0.03 0.26 -0.59 1.01 0.19 -1.41 121.20 118.61 1u4c s ILE 28 Ca 0.57 0.10 0.09 0.00 0.00 0.00 0.00 60.65 61.41 1u4c s ILE 28 Cb -0.10 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1u4c s ILE 28 CO 0.16 0.04 0.03 0.42 0.00 0.00 0.00 174.94 175.59 1u4c s THR 29 N 0.80 3.61 0.25 2.92 -4.23 -0.82 -0.00 115.64 118.15 1u4c s THR 29 Ca -0.06 -1.83 -0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1u4c s THR 29 Cb -0.07 -2.93 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 1u4c s THR 29 CO -0.04 -0.37 0.26 -0.55 -0.54 0.00 0.00 174.62 173.38 1u4c s SER 30 N -3.69 0.45 0.01 3.99 0.15 -0.21 -2.08 113.70 112.33 1u4c s SER 30 Ca 0.32 -1.37 0.29 0.00 0.70 0.00 0.00 55.95 55.88 1u4c s SER 30 Cb -0.07 0.48 1.23 0.00 -1.71 0.00 0.00 66.02 65.95 1u4c s SER 30 CO 0.21 -0.99 1.92 0.79 1.20 0.00 0.00 173.24 176.37 1u4c n TRP 31 N -0.39 0.03 1.49 3.44 7.02 -0.39 -1.78 117.44 126.87 1u4c n TRP 31 Ca 0.02 0.01 0.15 0.00 -1.02 0.00 0.00 57.50 56.66 1u4c n TRP 31 Cb 0.64 -0.51 0.73 0.00 -2.42 0.00 0.00 31.31 29.74 1u4c n TRP 31 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1u4c n ASP 32 N -1.53 0.18 0.00 -0.99 3.85 -1.26 -4.21 116.55 112.60 1u4c n ASP 32 Ca 0.07 -0.42 0.00 0.00 -0.71 0.00 0.00 54.79 53.73 1u4c n ASP 32 Cb 0.34 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 1u4c n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u4c n GLY 33 N 1.25 0.49 3.82 6.12 0.00 -1.09 -4.67 105.19 111.11 1u4c n GLY 33 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1u4c n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u4c s SER 34 N -2.50 7.02 -0.19 1.61 1.04 -1.26 -1.69 113.70 117.74 1u4c s SER 34 Ca 0.00 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.69 1u4c s SER 34 Cb 0.00 -2.35 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1u4c s SER 34 CO 0.00 0.22 -0.18 -0.22 0.98 0.00 0.00 173.24 174.04 1u4c s LEU 35 N -1.36 2.29 0.10 2.42 2.96 -0.46 -1.04 118.68 123.59 1u4c s LEU 35 Ca 0.32 -0.75 0.09 0.00 -0.22 0.00 0.00 54.13 53.57 1u4c s LEU 35 Cb -0.18 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.00 1u4c s LEU 35 CO 0.19 -0.03 -0.21 0.42 -1.32 0.00 0.00 176.35 175.40 1u4c s THR 36 N 1.28 2.60 0.24 3.68 -4.23 0.99 -1.55 115.64 118.65 1u4c s THR 36 Ca 0.03 -1.50 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1u4c s THR 36 Cb -0.14 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1u4c s THR 36 CO -0.12 0.17 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.42 1u4c s VAL 37 N -1.04 3.42 0.08 2.29 1.01 0.15 -0.63 120.40 125.67 1u4c s VAL 37 Ca 0.16 -1.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.21 1u4c s VAL 37 Cb -0.10 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.49 1u4c s VAL 37 CO 0.07 -0.30 0.23 -0.31 0.00 0.00 0.00 175.10 174.80 1u4c s TYR 38 N -2.15 0.05 -0.11 5.22 1.51 -1.09 -1.59 117.35 119.18 1u4c s TYR 38 Ca 0.30 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.99 1u4c s TYR 38 Cb -0.07 0.01 0.01 0.00 -0.11 0.00 0.00 41.96 41.80 1u4c s TYR 38 CO 0.19 -0.54 -0.19 0.21 -1.11 0.00 0.00 175.55 174.10 1u4c s LYS 39 N -3.48 2.66 0.08 -0.62 2.47 -0.42 -2.20 119.74 118.23 1u4c s LYS 39 Ca 0.02 -0.73 0.09 0.00 -1.56 0.00 0.00 55.97 53.79 1u4c s LYS 39 Cb 0.03 -2.14 -0.03 0.00 -1.46 0.00 0.00 37.83 34.22 1u4c s LYS 39 CO -0.09 0.02 -0.24 -0.59 0.16 0.00 0.00 175.35 174.61 1u4c s PHE 40 N 0.75 2.40 -0.36 4.03 -0.12 0.07 -1.75 117.98 123.01 1u4c s PHE 40 Ca -0.10 -0.35 -0.11 0.00 -0.05 0.00 0.00 56.93 56.32 1u4c s PHE 40 Cb -0.16 -1.36 0.02 0.00 -0.63 0.00 0.00 43.02 40.89 1u4c s PHE 40 CO 0.01 0.25 0.19 0.34 -0.05 0.00 0.00 175.22 175.96 1u4c s ASP 41 N -1.63 5.69 0.20 1.98 3.68 -0.32 -4.80 116.67 121.47 1u4c s ASP 41 Ca 0.14 -0.90 -0.11 0.00 2.13 0.00 0.00 52.55 53.81 1u4c s ASP 41 Cb -0.10 -2.02 0.13 0.00 -1.45 0.00 0.00 42.92 39.48 1u4c s ASP 41 CO 0.05 -0.34 1.84 -0.29 0.13 0.00 0.00 175.17 176.55 1u4c h ILE 42 N 5.83 1.20 0.03 4.11 2.10 -1.97 -1.32 117.51 127.50 1u4c h ILE 42 Ca -0.27 -0.43 -0.25 0.00 1.08 0.00 0.00 64.86 64.99 1u4c h ILE 42 Cb 1.11 0.23 0.01 0.00 -1.09 0.00 0.00 36.82 37.08 1u4c h ILE 42 CO 0.66 0.20 -1.04 1.56 -1.08 0.00 0.00 178.15 178.45 1u4c h GLN 43 N 0.94 0.48 -0.02 2.19 1.08 -1.97 -3.34 115.11 114.47 1u4c h GLN 43 Ca 0.25 -0.56 0.00 0.00 -1.45 0.00 0.00 58.65 56.89 1u4c h GLN 43 Cb -0.04 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1u4c h GLN 43 CO -0.05 1.20 -0.23 0.00 -0.95 0.00 0.00 178.83 178.81 1u4c n ALA 44 N -2.58 3.00 -3.55 3.87 0.00 -1.21 -5.00 120.51 115.03 1u4c n ALA 44 Ca -0.09 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.59 1u4c n ALA 44 Cb 0.89 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.47 1u4c n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u4c n LYS 45 N 0.24 -5.92 -4.33 0.00 4.01 -0.50 -5.02 118.16 106.63 1u4c n LYS 45 Ca 0.13 0.75 -0.20 0.00 -0.51 0.00 0.00 58.31 58.47 1u4c n LYS 45 Cb 0.46 -5.57 -0.08 0.00 -0.51 0.00 0.00 35.03 29.32 1u4c n LYS 45 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1u4c s ASN 46 N -4.32 1.80 -0.28 4.39 6.03 -1.21 -4.91 114.94 116.43 1u4c s ASN 46 Ca 0.02 -1.70 -0.23 0.00 -1.03 0.00 0.00 52.86 49.92 1u4c s ASN 46 Cb -0.01 0.52 0.12 0.00 -3.03 0.00 0.00 41.25 38.85 1u4c s ASN 46 CO 0.77 -1.00 1.01 0.54 -2.03 0.00 0.00 177.10 176.38 1u4c s VAL 47 N -3.46 0.00 0.07 3.54 0.11 -1.26 -1.18 120.40 118.22 1u4c s VAL 47 Ca 0.36 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.42 1u4c s VAL 47 Cb 0.03 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1u4c s VAL 47 CO 0.23 0.00 -0.06 -1.81 -3.33 0.00 0.00 175.10 170.13 1u4c s ASP 48 N 0.45 0.90 0.46 3.54 1.01 -0.72 -4.79 116.67 117.53 1u4c s ASP 48 Ca 0.01 -0.88 -0.19 0.00 0.71 0.00 0.00 52.55 52.19 1u4c s ASP 48 Cb -0.05 0.10 -0.10 0.00 1.01 0.00 0.00 42.92 43.89 1u4c s ASP 48 CO -0.08 -0.43 0.97 -0.22 0.21 0.00 0.00 175.17 175.62 1u4c s LEU 49 N -2.63 3.83 -0.04 1.23 0.20 -1.26 -1.30 118.68 118.70 1u4c s LEU 49 Ca 0.05 1.68 0.02 0.00 0.69 0.00 0.00 54.13 56.56 1u4c s LEU 49 Cb 0.02 -4.53 -0.04 0.00 -0.43 0.00 0.00 46.19 41.21 1u4c s LEU 49 CO -0.05 -0.48 -0.01 0.18 -0.29 0.00 0.00 176.35 175.70 1u4c n LEU 50 N -0.99 1.22 -3.51 -0.68 4.32 -0.62 -4.83 117.00 111.92 1u4c n LEU 50 Ca 0.07 -0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.91 1u4c n LEU 50 Cb 0.54 -0.01 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 1u4c n LEU 50 CO 0.40 0.29 0.52 -1.58 -1.22 0.00 0.00 177.39 175.81 1u4c s GLN 51 N -2.09 0.99 -0.36 3.23 2.00 -1.24 -5.00 119.66 117.19 1u4c s GLN 51 Ca -0.04 0.03 0.01 0.00 -2.00 0.00 0.00 55.36 53.36 1u4c s GLN 51 Cb 0.01 0.46 0.15 0.00 0.80 0.00 0.00 33.01 34.43 1u4c s GLN 51 CO 0.13 -0.35 0.25 0.45 -0.50 0.00 0.00 175.29 175.27 1u4c s SER 52 N -1.62 2.52 0.42 6.67 0.15 -1.26 -0.67 113.70 119.90 1u4c s SER 52 Ca -0.05 -2.16 -0.05 0.00 0.70 0.00 0.00 55.95 54.39 1u4c s SER 52 Cb -0.00 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.04 1u4c s SER 52 CO 0.02 -0.29 0.71 -0.76 1.20 0.00 0.00 173.24 174.12 1u4c s LEU 53 N 1.05 3.78 0.05 3.45 1.02 -0.60 -4.94 118.68 122.50 1u4c s LEU 53 Ca 0.19 0.86 0.04 0.00 0.02 0.00 0.00 54.13 55.24 1u4c s LEU 53 Cb -0.20 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.22 1u4c s LEU 53 CO -0.01 -0.45 -0.11 -0.60 0.02 0.00 0.00 176.35 175.20 1u4c s ARG 54 N -4.34 0.70 0.11 1.70 3.52 -1.26 -1.35 118.95 118.03 1u4c s ARG 54 Ca 0.46 -0.83 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 1u4c s ARG 54 Cb -0.10 -0.62 -0.04 0.00 -1.56 0.00 0.00 34.95 32.64 1u4c s ARG 54 CO 0.39 0.13 -0.19 -0.47 -0.81 0.00 0.00 175.30 174.35 1u4c s TYR 55 N -1.23 1.69 0.21 5.12 5.04 -0.68 -4.93 117.35 122.57 1u4c s TYR 55 Ca -0.05 -0.44 -0.09 0.00 -2.44 0.00 0.00 57.07 54.05 1u4c s TYR 55 Cb -0.09 -0.91 0.31 0.00 0.35 0.00 0.00 41.96 41.61 1u4c s TYR 55 CO 0.01 0.21 1.71 1.57 -1.34 0.00 0.00 175.55 177.71 1u4c h LYS 56 N 3.90 0.27 -6.49 4.97 2.10 -1.91 -3.41 116.57 116.00 1u4c h LYS 56 Ca -0.44 -0.02 -0.46 0.00 -2.00 0.00 0.00 60.65 57.73 1u4c h LYS 56 Cb 1.19 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 1u4c h LYS 56 CO 0.43 0.18 -0.23 -1.01 -2.00 0.00 0.00 179.45 176.82 1u4c s HIS 57 N -6.10 3.35 0.37 0.07 3.76 -1.26 -4.93 115.29 110.56 1u4c s HIS 57 Ca -0.13 0.17 -0.26 0.00 -0.15 0.00 0.00 55.06 54.68 1u4c s HIS 57 Cb 0.18 -1.98 -0.09 0.00 1.11 0.00 0.00 32.58 31.81 1u4c s HIS 57 CO 0.74 0.02 1.17 -2.14 -0.85 0.00 0.00 174.74 173.68 1u4c s PRO 58 N -4.31 4.19 -0.11 8.40 0.02 -1.26 -3.97 135.00 137.96 1u4c s PRO 58 Ca 0.42 1.86 -0.10 0.00 0.02 0.00 0.00 61.00 63.20 1u4c s PRO 58 Cb -0.10 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.58 1u4c s PRO 58 CO 0.35 -0.21 0.21 -0.51 -0.33 0.00 0.00 177.00 176.51 1u4c s LEU 59 N -2.25 4.36 -0.18 -5.54 1.43 -0.73 -2.36 118.68 113.41 1u4c s LEU 59 Ca 0.54 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.19 1u4c s LEU 59 Cb -0.31 -2.21 -0.11 0.00 0.03 0.00 0.00 46.19 43.58 1u4c s LEU 59 CO 0.40 0.33 -0.16 0.18 0.23 0.00 0.00 176.35 177.33 1u4c n LEU 60 N 2.35 2.94 -3.92 1.79 4.77 0.85 -4.11 117.00 121.67 1u4c n LEU 60 Ca -0.17 -0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 1u4c n LEU 60 Cb 0.54 -0.61 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1u4c n LEU 60 CO 0.34 0.79 -0.01 0.00 -1.33 0.00 0.00 177.39 177.17 1u4c n ASN 63 N -0.25 -0.99 -2.21 0.00 5.15 -1.08 -4.66 115.26 111.22 1u4c n ASN 63 Ca -0.04 -1.34 -0.07 0.00 -0.60 0.00 0.00 54.58 52.53 1u4c n ASN 63 Cb 0.64 1.57 0.00 0.00 -0.53 0.00 0.00 39.78 41.46 1u4c n ASN 63 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1u4c n PHE 64 N -0.61 -1.54 -3.57 1.20 1.16 -1.26 -2.81 117.46 110.03 1u4c n PHE 64 Ca 0.02 -1.34 -0.10 0.00 -1.87 0.00 0.00 57.45 54.15 1u4c n PHE 64 Cb 0.42 0.49 -0.10 0.00 -1.61 0.00 0.00 39.48 38.68 1u4c n PHE 64 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1u4c s ILE 65 N -2.54 -0.56 -0.24 1.97 1.01 -0.51 -4.91 121.20 115.42 1u4c s ILE 65 Ca 0.14 0.12 0.12 0.00 0.00 0.00 0.00 60.65 61.03 1u4c s ILE 65 Cb -0.02 -0.65 0.50 0.00 0.01 0.00 0.00 42.46 42.30 1u4c s ILE 65 CO 0.10 0.01 1.43 -0.67 0.00 0.00 0.00 174.94 175.82 1u4c n ASP 66 N 5.37 3.00 0.00 3.58 2.03 -1.26 -1.25 116.55 128.02 1u4c n ASP 66 Ca -0.06 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1u4c n ASP 66 Cb 0.50 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1u4c n ASP 66 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1u4c n ASN 67 N -0.92 0.00 0.00 1.67 0.23 -1.26 -4.62 115.26 110.35 1u4c n ASN 67 Ca 0.28 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.33 1u4c n ASN 67 Cb 0.97 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 1u4c n ASN 67 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1u4c n THR 68 N 0.00 0.00 -3.17 5.53 -1.04 -1.26 -4.93 114.28 109.41 1u4c n THR 68 Ca 0.00 0.22 -0.18 0.00 -2.04 0.00 0.00 64.05 62.05 1u4c n THR 68 Cb 0.00 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 1u4c n THR 68 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1u4c s ASP 69 N -1.42 5.58 -0.09 8.00 1.11 -1.26 -5.06 116.67 123.53 1u4c s ASP 69 Ca 0.00 -0.45 -0.29 0.00 0.18 0.00 0.00 52.55 51.99 1u4c s ASP 69 Cb 0.00 -0.71 -0.02 0.00 1.07 0.00 0.00 42.92 43.26 1u4c s ASP 69 CO 0.00 -0.70 0.98 -0.22 1.18 0.00 0.00 175.17 176.41 1u4c s LEU 70 N -4.29 4.27 -0.10 1.23 2.96 -1.26 -4.39 118.68 117.11 1u4c s LEU 70 Ca 0.52 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.96 1u4c s LEU 70 Cb -0.09 -3.52 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1u4c s LEU 70 CO 0.32 -0.40 -0.09 0.00 -1.32 0.00 0.00 176.35 174.86 1u4c s GLN 71 N 1.79 1.54 -0.09 1.98 -2.07 -0.38 -5.00 119.66 117.42 1u4c s GLN 71 Ca 0.48 -0.29 -0.02 0.00 -1.82 0.00 0.00 55.36 53.71 1u4c s GLN 71 Cb -0.19 -1.50 -0.03 0.00 -1.09 0.00 0.00 33.01 30.21 1u4c s GLN 71 CO 0.20 -0.17 -0.01 0.42 -1.32 0.00 0.00 175.29 174.40 1u4c s ILE 72 N 1.37 4.17 -0.05 3.63 1.01 -1.26 -1.43 121.20 128.64 1u4c s ILE 72 Ca -0.01 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1u4c s ILE 72 Cb -0.14 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.59 1u4c s ILE 72 CO -0.04 0.59 -0.10 -0.31 0.00 0.00 0.00 174.94 175.07 1u4c s TYR 73 N -0.68 1.20 0.49 3.97 1.51 -1.12 -0.62 117.35 122.09 1u4c s TYR 73 Ca 0.11 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.83 1u4c s TYR 73 Cb -0.12 -0.89 -0.01 0.00 -0.11 0.00 0.00 41.96 40.83 1u4c s TYR 73 CO 0.02 -0.21 0.23 0.14 -1.11 0.00 0.00 175.55 174.62 1u4c s VAL 74 N 0.58 1.80 -0.03 0.71 -7.23 0.98 -2.63 120.40 114.57 1u4c s VAL 74 Ca -0.11 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1u4c s VAL 74 Cb -0.14 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.33 1u4c s VAL 74 CO 0.02 0.00 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.90 1u4c s GLY 75 N -4.05 0.50 0.51 2.32 0.00 -0.24 -1.77 107.32 104.58 1u4c s GLY 75 Ca 0.30 -0.30 0.08 0.00 0.00 0.00 0.00 44.72 44.80 1u4c s GLY 75 CO 0.18 -0.05 0.57 -0.51 0.00 0.00 0.00 173.10 173.29 1u4c s THR 76 N 0.22 2.24 0.07 0.90 -4.23 -0.35 -0.10 115.64 114.39 1u4c s THR 76 Ca -0.03 -1.20 0.33 0.00 -1.18 0.00 0.00 61.69 59.61 1u4c s THR 76 Cb -0.08 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.70 1u4c s THR 76 CO 0.00 0.00 1.97 0.58 -0.54 0.00 0.00 174.62 176.63 1u4c h VAL 77 N 0.57 0.00 -0.77 2.29 2.07 -1.80 -1.78 116.25 116.84 1u4c h VAL 77 Ca -0.35 -0.52 -0.37 0.00 0.82 0.00 0.00 66.70 66.28 1u4c h VAL 77 Cb 1.29 1.52 -0.22 0.00 -1.52 0.00 0.00 31.29 32.36 1u4c h VAL 77 CO 0.49 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.54 1u4c n GLN 78 N -3.08 2.33 -1.71 1.57 6.02 -1.26 -1.23 117.38 120.03 1u4c n GLN 78 Ca 0.01 -2.48 -0.19 0.00 -0.01 0.00 0.00 57.00 54.33 1u4c n GLN 78 Cb 0.31 -1.99 -0.07 0.00 1.02 0.00 0.00 30.24 29.51 1u4c n GLN 78 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u4c n GLY 79 N -0.66 1.35 3.78 1.08 0.00 -1.11 -4.48 105.19 105.16 1u4c n GLY 79 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 1u4c n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u4c s GLU 80 N -3.87 4.18 -0.20 1.61 2.12 -1.26 -4.63 118.70 116.65 1u4c s GLU 80 Ca 0.00 0.53 -0.08 0.00 0.36 0.00 0.00 54.97 55.78 1u4c s GLU 80 Cb 0.00 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 1u4c s GLU 80 CO 0.00 0.44 0.09 0.42 -0.54 0.00 0.00 175.26 175.67 1u4c s ILE 81 N -0.33 4.99 -0.06 -3.70 1.01 -1.26 -1.21 121.20 120.64 1u4c s ILE 81 Ca 0.27 0.04 0.06 0.00 0.00 0.00 0.00 60.65 61.02 1u4c s ILE 81 Cb -0.17 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 39.01 1u4c s ILE 81 CO 0.14 0.43 -0.24 -0.76 0.00 0.00 0.00 174.94 174.51 1u4c s LEU 82 N 0.56 2.12 0.09 2.97 1.43 -0.73 -2.39 118.68 122.72 1u4c s LEU 82 Ca 0.05 -0.49 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 1u4c s LEU 82 Cb -0.12 -1.39 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 1u4c s LEU 82 CO 0.01 0.25 0.60 -0.75 0.23 0.00 0.00 176.35 176.68 1u4c s LYS 83 N -0.19 4.25 -0.08 1.70 2.20 0.34 -0.02 119.74 127.94 1u4c s LYS 83 Ca -0.03 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 1u4c s LYS 83 Cb -0.14 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1u4c s LYS 83 CO 0.03 0.63 -0.11 0.08 -0.36 0.00 0.00 175.35 175.62 1u4c s VAL 84 N -1.12 3.28 -0.31 4.02 1.01 0.21 -1.37 120.40 126.11 1u4c s VAL 84 Ca 0.30 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1u4c s VAL 84 Cb -0.20 -2.33 0.10 0.00 0.00 0.00 0.00 36.38 33.95 1u4c s VAL 84 CO 0.20 0.57 0.10 -0.62 0.00 0.00 0.00 175.10 175.35 1u4c s ASP 85 N -0.39 4.08 0.27 3.32 2.15 0.08 -4.36 116.67 121.81 1u4c s ASP 85 Ca 0.05 -1.69 0.24 0.00 0.43 0.00 0.00 52.55 51.57 1u4c s ASP 85 Cb -0.12 -0.92 1.00 0.00 -0.30 0.00 0.00 42.92 42.58 1u4c s ASP 85 CO 0.02 -0.41 1.71 0.18 -0.17 0.00 0.00 175.17 176.51 1u4c n LEU 86 N 4.79 0.68 -0.02 -1.34 4.32 -1.26 -4.32 117.00 119.84 1u4c n LEU 86 Ca -0.01 0.68 -0.02 0.00 -0.02 0.00 0.00 56.01 56.63 1u4c n LEU 86 Cb 0.42 -0.59 -0.01 0.00 -1.62 0.00 0.00 43.42 41.62 1u4c n LEU 86 CO 0.12 -0.59 -0.19 2.30 -1.22 0.00 0.00 177.39 177.82 1u4c n ILE 87 N -2.26 0.54 0.00 -0.08 -0.00 -1.26 -5.07 119.36 111.23 1u4c n ILE 87 Ca 0.02 0.31 0.00 0.00 -0.00 0.00 0.00 62.75 63.07 1u4c n ILE 87 Cb 0.22 -1.66 0.00 0.00 -0.00 0.00 0.00 39.64 38.20 1u4c n ILE 87 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1u4c n GLY 88 N 2.04 0.89 3.57 3.28 0.00 -1.26 -5.07 105.19 108.64 1u4c n GLY 88 Ca -0.04 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 1u4c n GLY 88 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1u4c s SER 89 N -1.00 -0.56 0.64 1.61 0.15 -1.26 -4.39 113.70 108.89 1u4c s SER 89 Ca 0.00 0.78 -0.17 0.00 0.70 0.00 0.00 55.95 57.26 1u4c s SER 89 Cb 0.00 0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 64.98 1u4c s SER 89 CO 0.00 -0.40 1.16 -2.84 1.20 0.00 0.00 173.24 172.36 1u4c s PRO 90 N -0.69 2.80 0.05 5.44 0.02 -1.26 -5.10 135.00 136.25 1u4c s PRO 90 Ca -0.04 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.40 1u4c s PRO 90 Cb -0.02 -1.93 -0.13 0.00 0.02 0.00 0.00 34.50 32.44 1u4c s PRO 90 CO 0.04 -1.30 1.37 0.77 -0.33 0.00 0.00 177.00 177.55 1u4c h SER 91 N 0.39 0.40 -3.58 2.53 0.02 -1.79 -3.42 113.55 108.10 1u4c h SER 91 Ca -0.48 -0.46 -0.67 0.00 -0.84 0.00 0.00 61.79 59.34 1u4c h SER 91 Cb 1.27 -0.11 -0.27 0.00 0.14 0.00 0.00 62.40 63.44 1u4c h SER 91 CO 0.54 0.77 -0.78 -0.36 -1.14 0.00 0.00 176.83 175.86 1u4c s PHE 92 N -4.40 2.73 -0.07 3.45 0.40 -1.25 -0.74 117.98 118.11 1u4c s PHE 92 Ca -0.14 -0.54 -0.01 0.00 -0.60 0.00 0.00 56.93 55.64 1u4c s PHE 92 Cb 0.06 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1u4c s PHE 92 CO 0.75 -0.11 -0.01 -1.14 0.70 0.00 0.00 175.22 175.41 1u4c s GLN 93 N 0.00 0.68 0.44 0.44 -0.44 -0.47 -4.86 119.66 115.45 1u4c s GLN 93 Ca -0.05 0.05 -0.21 0.00 -2.50 0.00 0.00 55.36 52.65 1u4c s GLN 93 Cb -0.14 -0.95 -0.10 0.00 -1.64 0.00 0.00 33.01 30.17 1u4c s GLN 93 CO 0.04 -0.25 0.97 0.00 0.50 0.00 0.00 175.29 176.56 1u4c s ALA 94 N 1.71 3.01 0.26 1.58 0.00 -1.25 0.13 121.76 127.19 1u4c s ALA 94 Ca 0.01 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 1u4c s ALA 94 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1u4c s ALA 94 CO -0.04 0.02 0.53 -0.51 0.00 0.00 0.00 175.76 175.75 1u4c s LEU 95 N -3.19 4.10 0.58 0.00 1.43 -1.01 -4.91 118.68 115.69 1u4c s LEU 95 Ca 0.63 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 54.42 1u4c s LEU 95 Cb -0.11 -3.50 0.04 0.00 0.03 0.00 0.00 46.19 42.64 1u4c s LEU 95 CO 0.15 -0.15 0.83 0.42 0.23 0.00 0.00 176.35 177.84 1u4c s THR 96 N -2.00 2.65 -0.96 5.49 -4.23 -1.00 -4.29 115.64 111.30 1u4c s THR 96 Ca 0.44 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1u4c s THR 96 Cb -0.11 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1u4c s THR 96 CO 0.28 -0.03 0.00 0.59 -0.54 0.00 0.00 174.62 174.93 1u4c n ASN 97 N -2.47 -4.42 -4.44 3.99 4.13 -1.26 -1.86 115.26 108.92 1u4c n ASN 97 Ca 0.08 0.22 -0.43 0.00 1.68 0.00 0.00 54.58 56.13 1u4c n ASN 97 Cb 0.60 -2.72 -0.04 0.00 -1.54 0.00 0.00 39.78 36.08 1u4c n ASN 97 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1u4c s ASN 98 N -2.70 6.31 -0.10 6.41 2.47 -1.26 -4.42 114.94 121.66 1u4c s ASN 98 Ca 0.00 -1.36 0.01 0.00 0.42 0.00 0.00 52.86 51.92 1u4c s ASN 98 Cb 0.00 -2.40 0.14 0.00 -1.45 0.00 0.00 41.25 37.54 1u4c s ASN 98 CO 0.00 -1.29 1.23 -0.62 -3.72 0.00 0.00 177.10 172.70 1u4c n GLU 99 N 7.20 1.27 -3.86 0.43 1.02 -1.26 -4.87 120.64 120.56 1u4c n GLU 99 Ca 0.04 -0.64 -0.35 0.00 -0.02 0.00 0.00 57.16 56.19 1u4c n GLU 99 Cb 0.46 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 1u4c n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u4c s ALA 100 N -0.70 3.45 -1.45 0.62 0.00 -1.26 -4.97 121.76 117.45 1u4c s ALA 100 Ca 0.12 -0.83 0.13 0.00 0.00 0.00 0.00 51.96 51.38 1u4c s ALA 100 Cb 0.10 -2.07 0.23 0.00 0.00 0.00 0.00 23.12 21.39 1u4c s ALA 100 CO 0.02 -0.01 1.11 0.09 0.00 0.00 0.00 175.76 176.97 1u4c n ASN 101 N 3.92 2.61 -4.24 0.00 3.02 -1.26 -4.67 115.26 114.65 1u4c n ASN 101 Ca -0.16 -1.77 -0.18 0.00 -0.03 0.00 0.00 54.58 52.44 1u4c n ASN 101 Cb 0.52 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.44 1u4c n ASN 101 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1u4c s LEU 102 N -1.08 2.40 0.37 3.41 1.43 -1.26 -4.70 118.68 119.25 1u4c s LEU 102 Ca 0.22 -0.81 -0.20 0.00 -1.03 0.00 0.00 54.13 52.31 1u4c s LEU 102 Cb 0.13 -0.55 -0.15 0.00 0.03 0.00 0.00 46.19 45.65 1u4c s LEU 102 CO 0.18 -0.14 0.10 0.61 0.23 0.00 0.00 176.35 177.33 1u4c n GLY 103 N 0.54 -2.51 3.60 -3.19 0.00 -0.36 -2.74 105.19 100.53 1u4c n GLY 103 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1u4c n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u4c s ILE 104 N -1.53 4.63 0.14 -0.61 -1.09 -0.68 -0.91 121.20 121.13 1u4c s ILE 104 Ca 0.55 1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1u4c s ILE 104 Cb -0.61 -4.30 -0.17 0.00 -1.58 0.00 0.00 42.46 35.80 1u4c s ILE 104 CO 0.58 -0.51 1.32 0.00 -1.23 0.00 0.00 174.94 175.11 1u4c s ARG 106 N -3.24 1.42 -0.08 0.00 0.52 -1.22 -4.66 118.95 111.70 1u4c s ARG 106 Ca -0.05 -0.67 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1u4c s ARG 106 Cb 0.09 0.56 0.03 0.00 0.52 0.00 0.00 34.95 36.16 1u4c s ARG 106 CO 0.85 -0.64 0.04 0.42 0.02 0.00 0.00 175.30 175.99 1u4c s ILE 107 N -3.71 0.13 0.31 1.52 1.01 -1.26 -2.06 121.20 117.14 1u4c s ILE 107 Ca 0.06 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.96 1u4c s ILE 107 Cb -0.03 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.99 1u4c s ILE 107 CO -0.04 0.13 0.19 0.00 0.00 0.00 0.00 174.94 175.22 1u4c s LYS 109 N -3.88 4.39 -0.72 0.00 3.01 -1.26 0.56 119.74 121.85 1u4c s LYS 109 Ca 0.37 1.52 0.04 0.00 -1.01 0.00 0.00 55.97 56.89 1u4c s LYS 109 Cb -0.05 -3.55 0.28 0.00 -1.01 0.00 0.00 37.83 33.50 1u4c s LYS 109 CO 0.24 -0.37 0.96 0.98 0.51 0.00 0.00 175.35 177.67 1u4c n TYR 110 N 5.09 3.48 -1.08 3.18 -0.00 -1.01 -4.65 117.16 122.17 1u4c n TYR 110 Ca 0.10 -3.79 0.00 0.00 -0.00 0.00 0.00 57.90 54.20 1u4c n TYR 110 Cb 0.48 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 39.13 1u4c n TYR 110 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1u4c n GLY 111 N 0.64 -4.33 3.58 2.98 0.00 -1.26 -3.85 105.19 102.94 1u4c n GLY 111 Ca 0.31 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1u4c n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u4c s ASP 112 N -1.32 5.87 0.00 1.61 2.15 -1.26 -1.75 116.67 121.97 1u4c s ASP 112 Ca 0.00 0.55 0.00 0.00 0.43 0.00 0.00 52.55 53.53 1u4c s ASP 112 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1u4c s ASP 112 CO 0.00 -1.86 0.00 -0.90 -0.17 0.00 0.00 175.17 172.24 1u4c n ASP 113 N 10.48 0.00 -4.00 -0.34 5.75 -1.26 -4.68 116.55 122.50 1u4c n ASP 113 Ca 0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.86 1u4c n ASP 113 Cb 0.49 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.50 1u4c n ASP 113 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1u4c s LYS 114 N 0.00 0.95 0.05 0.11 1.02 -0.72 -4.49 119.74 116.67 1u4c s LYS 114 Ca 0.00 -1.19 -0.02 0.00 0.02 0.00 0.00 55.97 54.77 1u4c s LYS 114 Cb 0.00 0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 37.59 1u4c s LYS 114 CO 0.00 -0.30 0.01 -0.51 -0.92 0.00 0.00 175.35 173.63 1u4c s LEU 115 N -2.96 2.25 -0.10 3.17 1.43 -1.08 -2.40 118.68 118.99 1u4c s LEU 115 Ca 0.15 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1u4c s LEU 115 Cb 0.05 0.35 0.01 0.00 0.03 0.00 0.00 46.19 46.63 1u4c s LEU 115 CO -0.04 -0.59 -0.21 -0.63 0.23 0.00 0.00 176.35 175.12 1u4c s ILE 116 N -3.60 1.82 0.19 -0.59 1.01 0.19 -1.14 121.20 119.09 1u4c s ILE 116 Ca 0.04 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1u4c s ILE 116 Cb 0.05 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1u4c s ILE 116 CO -0.09 0.51 0.18 0.00 0.00 0.00 0.00 174.94 175.54 1u4c s ALA 117 N 0.55 3.63 -0.10 9.38 0.00 0.70 0.52 121.76 136.44 1u4c s ALA 117 Ca -0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.51 1u4c s ALA 117 Cb -0.17 -1.40 0.05 0.00 0.00 0.00 0.00 23.12 21.60 1u4c s ALA 117 CO 0.05 0.42 0.21 0.00 0.00 0.00 0.00 175.76 176.44 1u4c s ALA 118 N -1.88 -0.40 0.07 0.00 0.00 -0.88 -0.01 121.76 118.66 1u4c s ALA 118 Ca 0.32 0.82 0.04 0.00 0.00 0.00 0.00 51.96 53.14 1u4c s ALA 118 Cb -0.09 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1u4c s ALA 118 CO 0.25 -0.35 0.02 -1.54 0.00 0.00 0.00 175.76 174.13 1u4c s SER 119 N 1.68 5.15 0.46 0.00 1.04 0.18 -1.17 113.70 121.04 1u4c s SER 119 Ca -0.05 -0.11 0.25 0.00 0.48 0.00 0.00 55.95 56.52 1u4c s SER 119 Cb -0.11 -1.28 1.27 0.00 0.10 0.00 0.00 66.02 65.99 1u4c s SER 119 CO -0.07 0.19 1.82 -0.50 0.98 0.00 0.00 173.24 175.66 1u4c h TRP 120 N 3.58 0.37 -0.10 5.02 6.55 -1.13 -0.38 115.95 129.86 1u4c h TRP 120 Ca -0.48 0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.33 1u4c h TRP 120 Cb 1.17 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 29.33 1u4c h TRP 120 CO 0.61 0.05 0.05 -0.40 -1.05 0.00 0.00 178.44 177.70 1u4c n ASP 121 N -4.44 2.65 -0.48 -3.49 3.85 -1.26 -2.59 116.55 110.78 1u4c n ASP 121 Ca 0.23 -2.16 -0.05 0.00 -0.71 0.00 0.00 54.79 52.09 1u4c n ASP 121 Cb 0.94 -0.53 -0.01 0.00 -1.35 0.00 0.00 41.12 40.16 1u4c n ASP 121 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u4c n GLY 122 N 0.24 0.49 3.75 6.12 0.00 -0.16 -4.65 105.19 110.99 1u4c n GLY 122 Ca 0.06 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1u4c n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u4c s LEU 123 N -1.32 3.99 -0.14 0.99 1.43 -1.20 -1.93 118.68 120.50 1u4c s LEU 123 Ca 0.00 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1u4c s LEU 123 Cb 0.00 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.28 1u4c s LEU 123 CO 0.00 0.33 -0.11 -0.63 0.23 0.00 0.00 176.35 176.17 1u4c s ILE 124 N -0.58 1.38 0.04 -0.59 1.01 -1.16 0.52 121.20 121.82 1u4c s ILE 124 Ca 0.11 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.26 1u4c s ILE 124 Cb -0.12 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1u4c s ILE 124 CO 0.02 0.39 -0.15 -1.61 0.00 0.00 0.00 174.94 173.59 1u4c s GLU 125 N 1.56 1.03 -0.26 2.79 2.02 0.99 -2.74 118.70 124.08 1u4c s GLU 125 Ca 0.04 -0.80 -0.07 0.00 0.02 0.00 0.00 54.97 54.16 1u4c s GLU 125 Cb -0.13 -1.06 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1u4c s GLU 125 CO -0.10 0.26 0.06 0.08 0.02 0.00 0.00 175.26 175.59 1u4c s VAL 126 N -0.85 4.17 -0.68 2.63 1.01 -1.11 0.25 120.40 125.83 1u4c s VAL 126 Ca 0.03 -0.30 -0.20 0.00 0.00 0.00 0.00 61.98 61.51 1u4c s VAL 126 Cb -0.08 -2.99 0.10 0.00 0.00 0.00 0.00 36.38 33.41 1u4c s VAL 126 CO 0.01 0.29 0.86 -0.63 0.00 0.00 0.00 175.10 175.63 1u4c s ILE 127 N 1.58 4.69 -0.82 2.22 1.01 -0.29 -2.01 121.20 127.58 1u4c s ILE 127 Ca 0.06 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1u4c s ILE 127 Cb -0.15 -4.60 0.22 0.00 0.01 0.00 0.00 42.46 37.94 1u4c s ILE 127 CO 0.03 -1.29 0.75 -0.67 0.00 0.00 0.00 174.94 173.76 1u4c n ASP 128 N 6.68 3.98 -0.23 3.58 2.03 -1.26 -2.64 116.55 128.69 1u4c n ASP 128 Ca -0.01 -3.23 0.02 0.00 0.52 0.00 0.00 54.79 52.09 1u4c n ASP 128 Cb 0.45 -0.92 0.14 0.00 -0.72 0.00 0.00 41.12 40.06 1u4c n ASP 128 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1u4c h PRO 129 N 5.47 0.44 -0.87 -0.67 0.11 -1.79 0.14 132.00 134.84 1u4c h PRO 129 Ca 0.17 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 66.47 1u4c h PRO 129 Cb 0.75 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 31.61 1u4c h PRO 129 CO 0.85 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 1u4c h ARG 130 N 0.45 0.06 0.00 1.05 3.08 -1.86 -1.48 114.38 115.69 1u4c h ARG 130 Ca 0.36 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 1u4c h ARG 130 Cb 0.47 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1u4c h ARG 130 CO -0.34 0.04 -1.21 0.09 -1.07 0.00 0.00 179.97 177.48 1u4c n ASN 131 N -5.42 2.49 -0.20 7.04 3.02 -1.06 -4.74 115.26 116.39 1u4c n ASN 131 Ca 0.18 -0.13 0.06 0.00 -0.03 0.00 0.00 54.58 54.66 1u4c n ASN 131 Cb 0.59 1.33 0.09 0.00 -0.61 0.00 0.00 39.78 41.18 1u4c n ASN 131 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1u4c n TYR 132 N -1.69 0.00 0.00 3.10 4.01 0.47 -5.10 117.16 117.95 1u4c n TYR 132 Ca -0.01 -0.65 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 1u4c n TYR 132 Cb 0.21 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1u4c n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u4c n GLY 133 N -0.93 3.06 2.69 2.72 0.00 -0.56 -2.21 105.19 109.96 1u4c n GLY 133 Ca 0.10 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 1u4c n GLY 133 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u4c n ASP 134 N 3.08 7.13 -3.74 1.61 10.43 -1.26 -3.66 116.55 130.14 1u4c n ASP 134 Ca 0.00 -3.81 -0.30 0.00 2.57 0.00 0.00 54.79 53.25 1u4c n ASP 134 Cb 0.00 -0.95 -0.13 0.00 1.84 0.00 0.00 41.12 41.88 1u4c n ASP 134 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1u4c s GLY 135 N -1.65 1.62 0.07 0.44 0.00 -0.94 -2.37 107.32 104.50 1u4c s GLY 135 Ca 0.54 -2.48 -0.37 0.00 0.00 0.00 0.00 44.72 42.41 1u4c s GLY 135 CO -0.28 1.51 1.25 -0.62 0.00 0.00 0.00 173.10 174.96 1u4c n VAL 136 N 3.76 0.10 -3.27 1.40 0.31 -0.78 -4.83 118.33 115.01 1u4c n VAL 136 Ca 0.07 -0.03 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 1u4c n VAL 136 Cb 0.36 -0.62 -0.08 0.00 -0.91 0.00 0.00 33.84 32.59 1u4c n VAL 136 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1u4c s ILE 137 N 0.29 5.09 -0.46 2.52 1.10 -0.85 -4.46 121.20 124.44 1u4c s ILE 137 Ca 0.85 0.80 -0.28 0.00 -0.51 0.00 0.00 60.65 61.50 1u4c s ILE 137 Cb -1.02 -3.80 0.01 0.00 0.15 0.00 0.00 42.46 37.80 1u4c s ILE 137 CO 0.50 0.10 1.46 0.00 -2.11 0.00 0.00 174.94 174.89 1u4c s ALA 138 N 2.25 2.92 -0.24 1.50 0.00 -1.26 -2.74 121.76 124.19 1u4c s ALA 138 Ca 0.20 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1u4c s ALA 138 Cb -0.16 -4.01 -0.13 0.00 0.00 0.00 0.00 23.12 18.82 1u4c s ALA 138 CO 0.09 -2.65 -0.27 0.28 0.00 0.00 0.00 175.76 173.22 1u4c n VAL 139 N 7.05 1.36 -4.30 0.00 0.31 -1.21 -5.03 118.33 116.51 1u4c n VAL 139 Ca 0.16 -0.42 -0.24 0.00 -0.01 0.00 0.00 64.34 63.82 1u4c n VAL 139 Cb 0.48 -1.61 -0.12 0.00 -0.91 0.00 0.00 33.84 31.68 1u4c n VAL 139 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1u4c s LYS 140 N -2.46 1.17 -0.24 5.55 -0.14 -1.11 -5.05 119.74 117.46 1u4c s LYS 140 Ca -0.33 -1.20 -0.02 0.00 -1.36 0.00 0.00 55.97 53.05 1u4c s LYS 140 Cb 0.11 -1.45 0.12 0.00 -1.68 0.00 0.00 37.83 34.94 1u4c s LYS 140 CO 0.48 0.33 0.31 1.21 -0.76 0.00 0.00 175.35 176.93 1u4c s ASN 141 N -1.99 0.90 0.05 2.83 3.84 -1.26 -3.01 114.94 116.31 1u4c s ASN 141 Ca 0.08 -0.16 -0.20 0.00 0.21 0.00 0.00 52.86 52.79 1u4c s ASN 141 Cb -0.10 0.76 -0.13 0.00 -0.55 0.00 0.00 41.25 41.24 1u4c s ASN 141 CO 0.05 -0.33 1.39 -0.07 -2.79 0.00 0.00 177.10 175.34 1u4c h LEU 142 N 8.24 0.40 -3.90 3.21 3.38 -1.70 -3.22 115.31 121.71 1u4c h LEU 142 Ca -0.17 -0.44 -0.43 0.00 0.09 0.00 0.00 57.88 56.94 1u4c h LEU 142 Cb 1.14 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.61 1u4c h LEU 142 CO 0.29 0.75 0.47 0.59 0.09 0.00 0.00 178.44 180.63 1u4c n ASN 143 N -4.57 6.64 0.00 -0.43 3.02 -1.26 -4.51 115.26 114.14 1u4c n ASN 143 Ca -0.05 -3.21 0.13 0.00 -0.03 0.00 0.00 54.58 51.41 1u4c n ASN 143 Cb 0.33 -1.11 0.73 0.00 -0.61 0.00 0.00 39.78 39.13 1u4c n ASN 143 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1u4c n SER 144 N 0.36 0.00 -0.20 6.41 3.41 -1.22 -3.24 113.62 119.13 1u4c n SER 144 Ca 0.40 -0.68 0.01 0.00 -0.26 0.00 0.00 58.87 58.34 1u4c n SER 144 Cb 0.57 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.49 1u4c n SER 144 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1u4c n ASN 145 N -1.05 0.54 -4.02 4.04 3.02 -1.26 -5.12 115.26 111.42 1u4c n ASN 145 Ca 0.18 -1.78 -0.20 0.00 -0.03 0.00 0.00 54.58 52.75 1u4c n ASN 145 Cb 0.10 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.05 1u4c n ASN 145 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u4c s ASN 146 N -0.88 1.72 -0.13 6.41 2.20 -1.20 -5.09 114.94 117.97 1u4c s ASN 146 Ca 0.04 -1.56 0.15 0.00 -0.94 0.00 0.00 52.86 50.55 1u4c s ASN 146 Cb 0.04 0.38 -0.21 0.00 -2.00 0.00 0.00 41.25 39.45 1u4c s ASN 146 CO 0.00 -0.88 0.12 0.35 -2.94 0.00 0.00 177.10 173.75 1u4c n THR 147 N -0.62 0.90 -1.95 0.54 -2.24 -1.26 -5.02 114.28 104.62 1u4c n THR 147 Ca 0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1u4c n THR 147 Cb 0.65 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 1u4c n THR 147 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1u4c n LYS 148 N -2.51 3.89 0.00 -0.78 4.81 -1.26 -5.09 118.16 117.23 1u4c n LYS 148 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1u4c n LYS 148 Cb 0.92 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.97 1u4c n LYS 148 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1u4c n VAL 149 N 0.00 0.00 0.00 3.15 3.14 -1.26 -4.77 118.33 118.59 1u4c n VAL 149 Ca 0.00 0.92 0.00 0.00 -2.96 0.00 0.00 64.34 62.30 1u4c n VAL 149 Cb 0.00 -1.75 0.00 0.00 -1.06 0.00 0.00 33.84 31.03 1u4c n VAL 149 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1u4c n LYS 150 N -1.09 0.00 -2.44 1.45 5.02 -1.26 -4.51 118.16 115.33 1u4c n LYS 150 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1u4c n LYS 150 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1u4c n LYS 150 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1u4c s ASN 151 N -4.00 7.10 -0.12 4.39 0.02 -1.26 -4.85 114.94 116.23 1u4c s ASN 151 Ca 0.00 2.00 -0.04 0.00 -1.02 0.00 0.00 52.86 53.80 1u4c s ASN 151 Cb 0.00 -2.58 0.05 0.00 0.02 0.00 0.00 41.25 38.74 1u4c s ASN 151 CO 0.00 -0.45 0.12 -0.54 0.02 0.00 0.00 177.10 176.26 1u4c s LYS 152 N 0.99 0.04 -0.31 -0.60 -0.14 -1.26 -4.31 119.74 114.14 1u4c s LYS 152 Ca 0.58 0.25 -0.19 0.00 -1.36 0.00 0.00 55.97 55.25 1u4c s LYS 152 Cb -0.29 -0.98 -0.01 0.00 -1.68 0.00 0.00 37.83 34.87 1u4c s LYS 152 CO 0.29 -0.48 0.55 0.42 -0.76 0.00 0.00 175.35 175.36 1u4c s ILE 153 N 2.22 5.01 -0.09 2.17 1.01 -1.07 -2.60 121.20 127.85 1u4c s ILE 153 Ca 0.04 0.63 0.17 0.00 0.00 0.00 0.00 60.65 61.49 1u4c s ILE 153 Cb -0.14 -3.94 -0.26 0.00 0.01 0.00 0.00 42.46 38.14 1u4c s ILE 153 CO -0.07 -0.11 0.27 0.49 0.00 0.00 0.00 174.94 175.51 1u4c n PHE 154 N 5.73 0.00 -3.75 3.97 0.99 0.16 -3.84 117.46 120.72 1u4c n PHE 154 Ca -0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.34 1u4c n PHE 154 Cb 0.49 -0.61 -0.01 0.00 -1.00 0.00 0.00 39.48 38.35 1u4c n PHE 154 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1u4c n THR 155 N -2.36 0.00 0.00 4.37 5.66 -1.13 -4.83 114.28 115.99 1u4c n THR 155 Ca -0.14 -0.90 0.00 0.00 -3.05 0.00 0.00 64.05 59.97 1u4c n THR 155 Cb 0.73 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 70.11 1u4c n THR 155 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1u4c n ASP 157 N -1.72 0.00 -3.94 1.09 2.03 -0.42 0.23 116.55 113.82 1u4c n ASP 157 Ca -0.01 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 1u4c n ASP 157 Cb 0.33 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.66 1u4c n ASP 157 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1u4c s THR 158 N -2.00 0.06 0.22 5.18 -4.23 -1.26 -1.03 115.64 112.59 1u4c s THR 158 Ca 0.00 -1.33 -0.08 0.00 -1.18 0.00 0.00 61.69 59.10 1u4c s THR 158 Cb 0.00 -1.82 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1u4c s THR 158 CO 0.00 -0.28 0.43 -0.46 -0.54 0.00 0.00 174.62 173.77 1u4c n ASN 159 N -0.23 -1.26 0.09 3.99 0.23 0.75 -4.95 115.26 113.88 1u4c n ASN 159 Ca -0.08 -1.93 0.18 0.00 -0.53 0.00 0.00 54.58 52.23 1u4c n ASN 159 Cb 0.63 2.11 0.56 0.00 -2.08 0.00 0.00 39.78 41.00 1u4c n ASN 159 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1u4c h SER 160 N 1.13 0.00 0.00 0.53 4.64 -1.96 -3.16 113.55 114.74 1u4c h SER 160 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1u4c h SER 160 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1u4c h SER 160 CO 0.24 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 1u4c n SER 161 N -3.22 0.00 -3.84 4.97 3.41 -1.26 -4.65 113.62 109.03 1u4c n SER 161 Ca 0.09 -1.00 -0.13 0.00 -0.26 0.00 0.00 58.87 57.57 1u4c n SER 161 Cb 0.90 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.70 1u4c n SER 161 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u4c s ARG 162 N 0.00 -0.01 0.04 4.33 0.52 -1.19 -1.20 118.95 121.43 1u4c s ARG 162 Ca 0.00 0.05 0.07 0.00 -0.52 0.00 0.00 55.73 55.33 1u4c s ARG 162 Cb 0.00 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.37 1u4c s ARG 162 CO 0.00 -0.05 -0.19 -1.17 0.02 0.00 0.00 175.30 173.91 1u4c s LEU 163 N 0.29 2.55 -0.22 2.53 0.20 -1.18 -0.18 118.68 122.68 1u4c s LEU 163 Ca -0.02 -0.44 -0.06 0.00 0.69 0.00 0.00 54.13 54.30 1u4c s LEU 163 Cb -0.04 -1.49 0.11 0.00 -0.43 0.00 0.00 46.19 44.34 1u4c s LEU 163 CO -0.01 0.26 0.44 -0.51 -0.29 0.00 0.00 176.35 176.24 1u4c s ILE 164 N -0.90 -0.69 -0.11 6.68 2.07 -0.20 -1.65 121.20 126.40 1u4c s ILE 164 Ca 0.14 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.45 1u4c s ILE 164 Cb -0.10 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.72 1u4c s ILE 164 CO 0.05 0.03 0.04 0.68 -1.91 0.00 0.00 174.94 173.83 1u4c s VAL 165 N 2.64 4.66 0.15 4.00 -7.23 -0.93 -1.30 120.40 122.38 1u4c s VAL 165 Ca 0.01 -0.11 -0.06 0.00 -1.81 0.00 0.00 61.98 60.02 1u4c s VAL 165 Cb -0.13 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.75 1u4c s VAL 165 CO -0.14 0.58 0.40 -0.83 -0.31 0.00 0.00 175.10 174.80 1u4c s GLY 166 N -0.68 2.25 -0.23 2.32 0.00 0.14 -1.93 107.32 109.18 1u4c s GLY 166 Ca 0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1u4c s GLY 166 CO 0.02 -0.41 -0.24 1.16 0.00 0.00 0.00 173.10 173.64 1u4c n ASN 168 N 0.15 2.06 -2.19 1.64 6.94 -1.07 0.37 115.26 123.16 1u4c n ASN 168 Ca -0.03 0.03 -0.01 0.00 -0.02 0.00 0.00 54.58 54.55 1u4c n ASN 168 Cb 0.52 -0.47 -0.01 0.00 -2.36 0.00 0.00 39.78 37.45 1u4c n ASN 168 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1u4c n ASN 169 N -3.48 0.59 -4.21 0.53 4.13 -1.26 -4.31 115.26 107.24 1u4c n ASN 169 Ca -0.42 -1.38 -0.36 0.00 1.68 0.00 0.00 54.58 54.10 1u4c n ASN 169 Cb 0.89 -0.14 -0.02 0.00 -1.54 0.00 0.00 39.78 38.96 1u4c n ASN 169 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1u4c n SER 170 N 2.44 -3.36 -4.20 6.41 7.64 -1.26 -4.90 113.62 116.40 1u4c n SER 170 Ca 0.02 -1.00 -0.12 0.00 1.01 0.00 0.00 58.87 58.78 1u4c n SER 170 Cb 0.08 -2.80 -0.10 0.00 -1.01 0.00 0.00 64.21 60.38 1u4c n SER 170 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u4c s GLN 171 N -6.92 1.15 0.13 1.43 -2.07 -1.26 -3.17 119.66 108.95 1u4c s GLN 171 Ca 0.74 -1.60 0.04 0.00 -1.82 0.00 0.00 55.36 52.72 1u4c s GLN 171 Cb -0.40 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 31.67 1u4c s GLN 171 CO 0.93 -0.34 -0.09 0.08 -1.32 0.00 0.00 175.29 174.54 1u4c s VAL 172 N -4.08 1.05 -0.19 3.63 1.01 -0.83 -4.28 120.40 116.71 1u4c s VAL 172 Ca 0.35 -1.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.30 1u4c s VAL 172 Cb 0.07 -1.77 0.09 0.00 0.00 0.00 0.00 36.38 34.77 1u4c s VAL 172 CO 0.10 -0.76 0.21 -1.58 0.00 0.00 0.00 175.10 173.07 1u4c s GLN 173 N -3.67 0.17 0.20 2.72 0.74 -0.81 -1.87 119.66 117.14 1u4c s GLN 173 Ca 0.15 0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.86 1u4c s GLN 173 Cb 0.03 -1.08 -0.03 0.00 1.10 0.00 0.00 33.01 33.02 1u4c s GLN 173 CO -0.01 -0.60 0.24 1.67 -0.55 0.00 0.00 175.29 176.04 1u4c s TRP 174 N 2.32 3.29 0.37 1.67 1.48 -0.87 -2.18 118.94 125.03 1u4c s TRP 174 Ca 0.06 -0.01 0.03 0.00 -1.06 0.00 0.00 56.10 55.12 1u4c s TRP 174 Cb -0.15 -1.53 -0.04 0.00 -1.16 0.00 0.00 33.47 30.58 1u4c s TRP 174 CO -0.11 0.50 0.10 -0.06 -4.06 0.00 0.00 176.95 173.32 1u4c s PHE 175 N -1.91 1.82 -0.08 1.66 0.40 -0.66 -1.14 117.98 118.08 1u4c s PHE 175 Ca 0.33 -1.16 -0.12 0.00 -0.60 0.00 0.00 56.93 55.37 1u4c s PHE 175 Cb -0.09 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 1u4c s PHE 175 CO 0.26 -0.19 0.31 0.50 0.70 0.00 0.00 175.22 176.80 1u4c s ARG 176 N -3.80 3.88 -0.06 0.44 3.52 -1.11 -3.10 118.95 118.71 1u4c s ARG 176 Ca 0.29 0.18 0.05 0.00 -0.13 0.00 0.00 55.73 56.13 1u4c s ARG 176 Cb 0.05 -3.27 -0.01 0.00 -1.56 0.00 0.00 34.95 30.17 1u4c s ARG 176 CO 0.15 0.59 -0.23 -0.51 -0.81 0.00 0.00 175.30 174.49 1u4c s LEU 177 N -0.65 2.03 1.15 -0.88 1.43 -0.34 -3.40 118.68 118.02 1u4c s LEU 177 Ca 0.20 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1u4c s LEU 177 Cb -0.14 -1.27 0.25 0.00 0.03 0.00 0.00 46.19 45.06 1u4c s LEU 177 CO 0.08 0.21 0.88 -0.81 0.23 0.00 0.00 176.35 176.95 1u4c n PRO 178 N 3.06 -2.21 0.00 1.29 -0.04 -1.26 -4.37 135.00 131.47 1u4c n PRO 178 Ca -0.18 -0.61 0.11 0.00 -0.04 0.00 0.00 63.50 62.78 1u4c n PRO 178 Cb 0.52 -2.11 0.64 0.00 -0.04 0.00 0.00 33.50 32.51 1u4c n PRO 178 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u4c n LEU 179 N -4.43 0.00 -1.63 1.53 4.77 -1.22 -5.09 117.00 110.93 1u4c n LEU 179 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1u4c n LEU 179 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1u4c n LEU 179 CO 0.56 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 1u4c n ASN 184 N 1.16 0.00 -3.75 0.00 2.04 -1.26 -5.20 115.26 108.25 1u4c n ASN 184 Ca 0.00 0.00 -0.11 0.00 -0.44 0.00 0.00 54.58 54.03 1u4c n ASN 184 Cb 0.00 -0.02 -0.05 0.00 -2.53 0.00 0.00 39.78 37.18 1u4c n ASN 184 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1u4c s GLY 185 N -2.04 0.96 0.35 4.83 0.00 -1.26 -2.77 107.32 107.39 1u4c s GLY 185 Ca 0.00 -1.19 0.09 0.00 0.00 0.00 0.00 44.72 43.62 1u4c s GLY 185 CO 0.00 -0.84 -0.09 -0.51 0.00 0.00 0.00 173.10 171.66 1u4c s THR 186 N -3.68 2.19 -0.11 0.90 -4.23 -0.29 -4.96 115.64 105.45 1u4c s THR 186 Ca 0.27 -2.19 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 1u4c s THR 186 Cb 0.00 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.16 1u4c s THR 186 CO 0.13 -0.19 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.25 1u4c s ILE 187 N -2.64 2.97 0.40 2.99 1.01 -1.26 -2.04 121.20 122.62 1u4c s ILE 187 Ca 0.33 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 60.31 1u4c s ILE 187 Cb 0.03 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 1u4c s ILE 187 CO 0.16 0.54 0.15 -1.61 0.00 0.00 0.00 174.94 174.18 1u4c s GLU 188 N 0.17 1.90 0.83 2.79 2.02 -0.78 -5.01 118.70 120.62 1u4c s GLU 188 Ca -0.08 -2.15 -0.10 0.00 0.02 0.00 0.00 54.97 52.65 1u4c s GLU 188 Cb -0.15 -0.48 0.13 0.00 0.10 0.00 0.00 34.13 33.73 1u4c s GLU 188 CO 0.05 -0.50 1.17 -1.21 0.02 0.00 0.00 175.26 174.78 1u4c s GLU 189 N -3.68 1.47 0.00 1.61 0.41 -1.26 -1.96 118.70 115.29 1u4c s GLU 189 Ca 0.26 -0.37 0.06 0.00 -0.41 0.00 0.00 54.97 54.51 1u4c s GLU 189 Cb 0.02 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.31 1u4c s GLU 189 CO 0.16 -1.80 0.33 -1.13 -0.49 0.00 0.00 175.26 172.33 1u4c n SER 190 N -3.32 0.52 -0.22 -0.19 3.41 -1.19 -4.52 113.62 108.11 1u4c n SER 190 Ca 0.12 -0.76 -0.03 0.00 -0.26 0.00 0.00 58.87 57.94 1u4c n SER 190 Cb 0.60 0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 1u4c n SER 190 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u4c n GLY 191 N 0.98 0.55 3.67 5.00 0.00 -1.26 -4.64 105.19 109.49 1u4c n GLY 191 Ca 0.02 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1u4c n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u4c s LEU 192 N -0.65 3.30 -0.22 0.99 1.43 -1.26 -4.78 118.68 117.50 1u4c s LEU 192 Ca 0.00 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1u4c s LEU 192 Cb 0.00 -1.89 -0.20 0.00 0.03 0.00 0.00 46.19 44.13 1u4c s LEU 192 CO 0.00 0.04 -0.03 1.17 0.23 0.00 0.00 176.35 177.75 1u4c n LYS 193 N -0.56 0.68 -1.36 1.70 4.81 -1.26 -4.96 118.16 117.21 1u4c n LYS 193 Ca -0.08 0.22 -0.03 0.00 -0.87 0.00 0.00 58.31 57.54 1u4c n LYS 193 Cb 0.57 -1.59 0.01 0.00 0.02 0.00 0.00 35.03 34.04 1u4c n LYS 193 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1u4c n TYR 194 N -3.48 -2.82 -2.23 5.64 4.02 -1.26 -4.97 117.16 112.07 1u4c n TYR 194 Ca -0.42 -0.36 -0.42 0.00 -0.01 0.00 0.00 57.90 56.69 1u4c n TYR 194 Cb 0.98 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 40.18 1u4c n TYR 194 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1u4c s GLN 195 N -2.45 4.38 0.05 -0.72 2.00 -1.26 -4.76 119.66 116.90 1u4c s GLN 195 Ca 0.10 2.03 -0.30 0.00 -2.00 0.00 0.00 55.36 55.19 1u4c s GLN 195 Cb -0.01 -3.22 -0.05 0.00 0.80 0.00 0.00 33.01 30.53 1u4c s GLN 195 CO 0.06 -0.29 1.04 0.96 -0.50 0.00 0.00 175.29 176.56 1u4c s ILE 196 N 0.44 4.49 -0.17 -2.34 -4.36 -1.26 -0.96 121.20 117.04 1u4c s ILE 196 Ca 0.59 1.87 -0.26 0.00 -0.26 0.00 0.00 60.65 62.59 1u4c s ILE 196 Cb -0.36 -4.20 -0.23 0.00 1.25 0.00 0.00 42.46 38.92 1u4c s ILE 196 CO 0.35 0.19 0.53 0.03 0.24 0.00 0.00 174.94 176.28 1u4c h ARG 197 N 6.39 0.00 -3.14 0.37 2.47 -0.65 -3.47 114.38 116.35 1u4c h ARG 197 Ca -0.42 -0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.17 1u4c h ARG 197 Cb 1.22 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 1u4c h ARG 197 CO 0.76 1.00 -0.34 0.34 0.56 0.00 0.00 179.97 182.29 1u4c s ASP 198 N -6.50 -0.16 0.13 7.04 2.15 -1.24 -4.68 116.67 113.41 1u4c s ASP 198 Ca -0.23 0.10 0.10 0.00 0.43 0.00 0.00 52.55 52.95 1u4c s ASP 198 Cb 0.01 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 1u4c s ASP 198 CO 0.65 -0.37 -0.22 0.54 -0.17 0.00 0.00 175.17 175.60 1u4c s VAL 199 N -1.10 2.58 -0.23 1.11 0.11 -1.26 -0.35 120.40 121.26 1u4c s VAL 199 Ca -0.12 -1.65 -0.03 0.00 -2.93 0.00 0.00 61.98 57.25 1u4c s VAL 199 Cb -0.05 -2.17 0.11 0.00 -1.53 0.00 0.00 36.38 32.74 1u4c s VAL 199 CO 0.03 0.08 0.28 0.00 -3.33 0.00 0.00 175.10 172.16 1u4c s ALA 200 N -1.16 -0.54 0.36 1.54 0.00 -0.15 -4.77 121.76 117.04 1u4c s ALA 200 Ca 0.17 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.19 1u4c s ALA 200 Cb -0.10 -1.51 -0.11 0.00 0.00 0.00 0.00 23.12 21.40 1u4c s ALA 200 CO 0.08 -1.31 1.48 -0.51 0.00 0.00 0.00 175.76 175.51 1u4c s LEU 201 N 2.40 4.33 0.75 0.00 1.43 -1.26 -1.29 118.68 125.03 1u4c s LEU 201 Ca 0.09 3.00 -0.11 0.00 -1.03 0.00 0.00 54.13 56.08 1u4c s LEU 201 Cb -0.15 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.44 1u4c s LEU 201 CO -0.17 -0.85 1.08 -0.76 0.23 0.00 0.00 176.35 175.89 1u4c s LEU 202 N -1.86 2.84 0.87 1.79 1.43 0.82 -4.88 118.68 119.68 1u4c s LEU 202 Ca 0.54 1.39 -0.16 0.00 -1.03 0.00 0.00 54.13 54.87 1u4c s LEU 202 Cb -0.46 -4.14 -0.10 0.00 0.03 0.00 0.00 46.19 41.52 1u4c s LEU 202 CO 0.60 -1.68 -0.31 -2.65 0.23 0.00 0.00 176.35 172.54 1u4c n PRO 203 N -3.25 -0.01 0.05 1.29 -0.02 -1.26 -4.47 135.00 127.32 1u4c n PRO 203 Ca 0.07 0.01 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1u4c n PRO 203 Cb 0.55 -1.25 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 1u4c n PRO 203 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1u4c h LYS 204 N -0.84 -0.30 -0.43 -0.52 3.64 -1.96 -3.02 116.57 113.14 1u4c h LYS 204 Ca -0.44 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1u4c h LYS 204 Cb 1.33 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 33.16 1u4c h LYS 204 CO 0.31 -0.20 -0.19 0.39 -2.27 0.00 0.00 179.45 177.48 1u4c n GLU 205 N -3.72 -0.13 -0.06 1.90 4.71 -1.26 -0.18 120.64 121.90 1u4c n GLU 205 Ca -0.04 0.65 -0.09 0.00 -0.01 0.00 0.00 57.16 57.68 1u4c n GLU 205 Cb 0.17 -0.97 0.07 0.00 -1.01 0.00 0.00 31.44 29.71 1u4c n GLU 205 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1u4c h GLN 206 N 0.00 0.73 -4.16 3.49 4.20 -1.88 -3.49 115.11 114.00 1u4c h GLN 206 Ca 0.12 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.37 1u4c h GLN 206 Cb 0.23 -0.01 0.10 0.00 0.30 0.00 0.00 27.48 28.10 1u4c h GLN 206 CO -0.42 0.95 -0.41 0.39 -0.67 0.00 0.00 178.83 178.67 1u4c n GLU 207 N -4.07 -1.12 -1.25 1.46 -0.58 0.75 -4.94 120.64 110.88 1u4c n GLU 207 Ca -0.01 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1u4c n GLU 207 Cb 0.49 -3.59 0.00 0.00 -0.57 0.00 0.00 31.44 27.77 1u4c n GLU 207 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u4c n GLY 208 N -1.36 3.34 3.44 0.62 0.00 -1.26 -2.38 105.19 107.58 1u4c n GLY 208 Ca -0.04 -1.32 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 1u4c n GLY 208 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u4c s TYR 209 N -4.49 -0.55 -0.04 1.61 -0.85 -0.89 -0.13 117.35 112.02 1u4c s TYR 209 Ca 0.00 1.12 0.06 0.00 -0.52 0.00 0.00 57.07 57.72 1u4c s TYR 209 Cb 0.00 0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.58 1u4c s TYR 209 CO 0.00 -0.44 -0.20 0.00 -1.52 0.00 0.00 175.55 173.39 1u4c s ALA 210 N -0.62 2.41 -0.03 9.51 0.00 -0.41 -1.14 121.76 131.49 1u4c s ALA 210 Ca -0.07 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.90 1u4c s ALA 210 Cb -0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1u4c s ALA 210 CO 0.05 0.53 -0.21 0.00 0.00 0.00 0.00 175.76 176.14 1u4c s SER 212 N -0.36 6.37 0.33 0.00 1.04 0.53 -1.32 113.70 120.29 1u4c s SER 212 Ca 0.05 0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.86 1u4c s SER 212 Cb -0.09 -1.96 -0.06 0.00 0.10 0.00 0.00 66.02 64.00 1u4c s SER 212 CO 0.00 0.10 -0.11 -0.94 0.98 0.00 0.00 173.24 173.28 1u4c s SER 213 N -2.78 3.73 0.00 7.02 1.04 0.13 0.04 113.70 122.87 1u4c s SER 213 Ca 0.36 -1.16 0.18 0.00 0.48 0.00 0.00 55.95 55.80 1u4c s SER 213 Cb -0.12 -0.35 0.93 0.00 0.10 0.00 0.00 66.02 66.58 1u4c s SER 213 CO 0.28 -0.16 1.53 2.30 0.98 0.00 0.00 173.24 178.16 1u4c n ILE 214 N -0.77 0.39 0.77 -1.02 -5.35 -0.14 -2.17 119.36 111.09 1u4c n ILE 214 Ca -0.05 0.10 0.09 0.00 -0.27 0.00 0.00 62.75 62.62 1u4c n ILE 214 Cb 0.63 -0.81 0.01 0.00 -1.74 0.00 0.00 39.64 37.74 1u4c n ILE 214 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1u4c n ASP 215 N -1.24 1.90 0.00 7.28 5.75 -1.26 -2.86 116.55 126.11 1u4c n ASP 215 Ca 0.09 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1u4c n ASP 215 Cb 0.13 0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 1u4c n ASP 215 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u4c n GLY 216 N 1.17 1.28 3.49 6.12 0.00 -0.92 -3.83 105.19 112.51 1u4c n GLY 216 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1u4c n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4c s ARG 217 N -0.11 1.71 -0.01 1.61 0.52 -1.26 -2.26 118.95 119.15 1u4c s ARG 217 Ca 0.00 -1.85 0.04 0.00 -0.52 0.00 0.00 55.73 53.40 1u4c s ARG 217 Cb 0.00 -1.59 -0.01 0.00 0.52 0.00 0.00 34.95 33.87 1u4c s ARG 217 CO 0.00 0.17 -0.13 0.08 0.02 0.00 0.00 175.30 175.44 1u4c s VAL 218 N -2.68 1.06 -0.05 3.52 1.01 -0.93 -0.70 120.40 121.64 1u4c s VAL 218 Ca 0.31 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1u4c s VAL 218 Cb 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.50 1u4c s VAL 218 CO 0.15 0.29 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 1u4c s ALA 219 N -0.34 1.27 -0.15 5.51 0.00 -0.44 -0.79 121.76 126.83 1u4c s ALA 219 Ca 0.05 -0.50 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 1u4c s ALA 219 Cb -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1u4c s ALA 219 CO -0.00 0.18 0.09 0.08 0.00 0.00 0.00 175.76 176.11 1u4c s VAL 220 N 0.30 5.02 0.22 0.00 1.01 0.17 -0.95 120.40 126.18 1u4c s VAL 220 Ca -0.08 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 1u4c s VAL 220 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1u4c s VAL 220 CO 0.02 0.54 0.00 -0.70 0.00 0.00 0.00 175.10 174.96 1u4c s GLU 221 N -0.32 1.31 -0.05 2.72 2.56 -0.30 -1.87 118.70 122.75 1u4c s GLU 221 Ca 0.10 -1.66 0.01 0.00 0.00 0.00 0.00 54.97 53.42 1u4c s GLU 221 Cb -0.12 -0.54 0.02 0.00 2.00 0.00 0.00 34.13 35.49 1u4c s GLU 221 CO 0.01 -0.12 -0.06 -0.06 -0.56 0.00 0.00 175.26 174.48 1u4c s PHE 222 N -3.48 0.86 0.35 5.30 0.08 -1.26 -2.09 117.98 117.75 1u4c s PHE 222 Ca 0.28 -0.26 -0.26 0.00 0.12 0.00 0.00 56.93 56.82 1u4c s PHE 222 Cb 0.06 -0.73 -0.13 0.00 -0.57 0.00 0.00 43.02 41.65 1u4c s PHE 222 CO 0.08 -0.20 0.87 1.19 -0.10 0.00 0.00 175.22 177.06 1u4c n PHE 223 N 4.00 0.72 -1.41 0.36 3.01 -1.00 -4.87 117.46 118.27 1u4c n PHE 223 Ca -0.25 0.66 -0.33 0.00 1.01 0.00 0.00 57.45 58.54 1u4c n PHE 223 Cb 0.51 -2.16 0.08 0.00 -0.01 0.00 0.00 39.48 37.89 1u4c n PHE 223 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1u4c n ASP 224 N 1.08 7.32 -1.90 4.37 8.00 -1.26 -5.00 116.55 129.16 1u4c n ASP 224 Ca 0.11 -3.78 -0.04 0.00 0.71 0.00 0.00 54.79 51.79 1u4c n ASP 224 Cb 0.35 -0.90 0.06 0.00 -0.02 0.00 0.00 41.12 40.61 1u4c n ASP 224 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1u4c n ASP 225 N -0.90 2.24 -0.09 -2.24 3.85 -1.26 -5.21 116.55 112.93 1u4c n ASP 225 Ca 0.61 -2.76 -0.18 0.00 -0.71 0.00 0.00 54.79 51.74 1u4c n ASP 225 Cb 0.71 -0.41 -0.06 0.00 -1.35 0.00 0.00 41.12 40.01 1u4c n ASP 225 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 1u4c n SER 232 N -0.44 1.23 -3.16 -1.12 2.88 -1.26 -5.22 113.62 106.54 1u4c n SER 232 Ca 0.18 0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.73 1u4c n SER 232 Cb 0.91 -0.51 -0.06 0.00 -0.75 0.00 0.00 64.21 63.80 1u4c n SER 232 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1u4c n SER 233 N -3.79 -1.01 -2.15 -3.46 2.88 -1.26 -4.98 113.62 99.86 1u4c n SER 233 Ca -0.34 -2.67 -0.27 0.00 -1.33 0.00 0.00 58.87 54.26 1u4c n SER 233 Cb 0.73 0.05 0.07 0.00 -0.75 0.00 0.00 64.21 64.31 1u4c n SER 233 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u4c n LYS 234 N 2.24 2.32 -2.36 -1.46 5.02 -1.26 -4.99 118.16 117.68 1u4c n LYS 234 Ca 0.23 -2.60 -0.33 0.00 -2.02 0.00 0.00 58.31 53.59 1u4c n LYS 234 Cb 0.53 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1u4c n LYS 234 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1u4c s ARG 235 N -3.02 3.71 -0.02 1.97 0.52 -1.26 -4.85 118.95 116.01 1u4c s ARG 235 Ca 0.51 1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 56.61 1u4c s ARG 235 Cb 0.40 -2.09 0.10 0.00 0.52 0.00 0.00 34.95 33.88 1u4c s ARG 235 CO -0.00 -0.48 1.29 -0.59 0.02 0.00 0.00 175.30 175.54 1u4c s PHE 236 N -2.34 0.01 0.30 -0.53 -0.12 -0.78 -5.02 117.98 109.51 1u4c s PHE 236 Ca 0.63 -0.13 -0.19 0.00 -0.05 0.00 0.00 56.93 57.19 1u4c s PHE 236 Cb -0.14 0.56 0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1u4c s PHE 236 CO 0.28 -0.27 0.73 0.00 -0.05 0.00 0.00 175.22 175.91 1u4c s ALA 237 N -2.09 -1.07 0.17 1.99 0.00 -1.26 0.46 121.76 119.95 1u4c s ALA 237 Ca 0.26 -0.43 -0.15 0.00 0.00 0.00 0.00 51.96 51.64 1u4c s ALA 237 Cb 0.01 0.82 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1u4c s ALA 237 CO -0.01 -1.02 0.44 -0.59 0.00 0.00 0.00 175.76 174.57 1u4c s PHE 238 N -3.58 -0.06 -0.43 0.00 -0.71 0.03 -4.98 117.98 108.26 1u4c s PHE 238 Ca 0.12 -0.28 -0.17 0.00 -1.04 0.00 0.00 56.93 55.56 1u4c s PHE 238 Cb -0.06 0.27 0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1u4c s PHE 238 CO 0.08 -0.81 0.43 0.50 -1.34 0.00 0.00 175.22 174.08 1u4c s ARG 239 N -3.87 3.07 -0.03 1.99 3.52 -1.26 -2.18 118.95 120.19 1u4c s ARG 239 Ca 0.08 -0.86 0.09 0.00 -0.13 0.00 0.00 55.73 54.91 1u4c s ARG 239 Cb 0.01 -4.00 0.31 0.00 -1.56 0.00 0.00 34.95 29.71 1u4c s ARG 239 CO -0.05 -0.89 1.18 0.00 -0.81 0.00 0.00 175.30 174.73 1u4c s HIS 241 N -1.63 -0.08 -2.36 0.00 5.65 -1.25 -4.96 115.29 110.64 1u4c s HIS 241 Ca 0.22 0.24 0.22 0.00 0.25 0.00 0.00 55.06 55.99 1u4c s HIS 241 Cb 0.13 -0.01 0.08 0.00 -1.18 0.00 0.00 32.58 31.60 1u4c s HIS 241 CO 0.12 -0.06 1.13 -2.13 -0.65 0.00 0.00 174.74 173.15 1u4c n ARG 242 N 3.30 1.71 -0.09 2.88 0.63 -1.26 -5.12 116.66 118.72 1u4c n ARG 242 Ca -0.16 -1.39 0.01 0.00 -0.92 0.00 0.00 57.85 55.40 1u4c n ARG 242 Cb 0.58 -1.44 -0.00 0.00 0.45 0.00 0.00 32.46 32.05 1u4c n ARG 242 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1u4c n ASN 249 N 0.59 -0.70 0.05 6.15 5.03 -1.26 -5.12 115.26 120.00 1u4c n ASN 249 Ca 0.11 0.09 -0.09 0.00 0.87 0.00 0.00 54.58 55.56 1u4c n ASN 249 Cb 0.50 -0.55 -0.13 0.00 -1.02 0.00 0.00 39.78 38.59 1u4c n ASN 249 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1u4c h LEU 250 N 0.00 0.06 -7.00 3.41 4.07 -2.02 -3.47 115.31 110.36 1u4c h LEU 250 Ca 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1u4c h LEU 250 Cb 0.08 -0.02 -0.22 0.00 1.08 0.00 0.00 40.66 41.58 1u4c h LEU 250 CO 0.00 1.06 0.27 0.00 -1.08 0.00 0.00 178.44 178.69 1u4c s ALA 251 N -2.68 -1.84 -0.40 1.53 0.00 -1.26 -5.12 121.76 112.00 1u4c s ALA 251 Ca -0.01 1.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.66 1u4c s ALA 251 Cb 0.09 -0.84 0.11 0.00 0.00 0.00 0.00 23.12 22.48 1u4c s ALA 251 CO 0.83 -0.32 0.18 0.71 0.00 0.00 0.00 175.76 177.16 1u4c s TYR 252 N -0.29 3.58 0.93 0.00 1.51 -1.25 -4.90 117.35 116.94 1u4c s TYR 252 Ca -0.03 -2.42 -0.11 0.00 -1.01 0.00 0.00 57.07 53.51 1u4c s TYR 252 Cb -0.03 -3.15 0.15 0.00 -0.11 0.00 0.00 41.96 38.83 1u4c s TYR 252 CO 0.02 -0.96 1.11 -1.25 -1.11 0.00 0.00 175.55 173.36 1u4c s PRO 253 N 1.13 0.92 -0.32 -1.71 0.04 -1.14 -2.85 135.00 131.08 1u4c s PRO 253 Ca 0.08 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.35 1u4c s PRO 253 Cb -0.22 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1u4c s PRO 253 CO -0.04 -2.61 0.09 0.08 0.04 0.00 0.00 177.00 174.55 1u4c s VAL 254 N -2.69 3.79 0.04 -0.36 1.01 -1.03 -1.09 120.40 120.07 1u4c s VAL 254 Ca 0.66 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1u4c s VAL 254 Cb -0.22 -3.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.93 1u4c s VAL 254 CO 0.59 -0.07 1.21 0.78 0.00 0.00 0.00 175.10 177.61 1u4c h ASN 255 N 8.21 0.00 -3.66 3.32 2.35 -1.51 -3.40 115.58 120.88 1u4c h ASN 255 Ca -0.26 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.23 1u4c h ASN 255 Cb 1.10 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.17 1u4c h ASN 255 CO 0.60 0.89 -0.73 -0.55 -1.65 0.00 0.00 177.43 176.00 1u4c s SER 256 N -6.55 0.07 -0.06 5.81 0.15 -1.20 -4.54 113.70 107.38 1u4c s SER 256 Ca 0.01 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 1u4c s SER 256 Cb 0.09 -0.03 0.03 0.00 -1.71 0.00 0.00 66.02 64.40 1u4c s SER 256 CO 0.81 -0.04 0.01 0.27 1.20 0.00 0.00 173.24 175.48 1u4c s ILE 257 N 0.37 0.29 0.03 6.45 -4.36 -1.26 -1.13 121.20 121.58 1u4c s ILE 257 Ca -0.03 0.14 -0.00 0.00 -0.26 0.00 0.00 60.65 60.50 1u4c s ILE 257 Cb -0.05 -0.44 -0.03 0.00 1.25 0.00 0.00 42.46 43.20 1u4c s ILE 257 CO -0.01 0.23 -0.03 -1.61 0.24 0.00 0.00 174.94 173.75 1u4c s GLU 258 N 1.75 0.40 -0.11 0.37 8.01 -1.01 -4.69 118.70 123.43 1u4c s GLU 258 Ca 0.01 -0.77 -0.03 0.00 0.01 0.00 0.00 54.97 54.19 1u4c s GLU 258 Cb -0.13 0.11 -0.03 0.00 -4.31 0.00 0.00 34.13 29.77 1u4c s GLU 258 CO -0.04 -0.06 0.02 -0.06 0.01 0.00 0.00 175.26 175.13 1u4c s PHE 259 N -2.07 3.19 0.60 1.61 0.40 -1.26 -0.67 117.98 119.79 1u4c s PHE 259 Ca -0.10 0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.21 1u4c s PHE 259 Cb -0.06 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 1u4c s PHE 259 CO -0.03 0.39 1.14 -1.54 0.70 0.00 0.00 175.22 175.88 1u4c s SER 260 N -0.59 5.36 -0.05 1.36 1.04 -0.51 -4.78 113.70 115.55 1u4c s SER 260 Ca 0.10 2.15 -0.23 0.00 0.48 0.00 0.00 55.95 58.45 1u4c s SER 260 Cb -0.12 -2.57 -0.25 0.00 0.10 0.00 0.00 66.02 63.18 1u4c s SER 260 CO 0.02 -1.46 1.00 -0.65 0.98 0.00 0.00 173.24 173.13 1u4c h PRO 261 N 0.68 0.23 0.00 4.02 0.11 -1.90 -2.78 132.00 132.36 1u4c h PRO 261 Ca -0.49 -0.28 0.00 0.00 0.11 0.00 0.00 66.00 65.35 1u4c h PRO 261 Cb 1.26 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1u4c h PRO 261 CO 0.55 1.02 0.00 0.54 -0.21 0.00 0.00 178.00 179.90 1u4c n ARG 262 N -4.39 0.00 0.31 1.05 1.74 -1.26 -4.07 116.66 110.03 1u4c n ARG 262 Ca -0.11 0.00 0.21 0.00 -0.77 0.00 0.00 57.85 57.18 1u4c n ARG 262 Cb 0.59 -0.58 1.10 0.00 -1.02 0.00 0.00 32.46 32.55 1u4c n ARG 262 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u4c h HIS 263 N 0.00 0.00 -4.23 -1.55 3.86 -1.97 -3.46 115.15 107.80 1u4c h HIS 263 Ca 0.00 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.83 1u4c h HIS 263 Cb 0.00 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.48 1u4c h HIS 263 CO 0.00 0.00 -0.55 1.63 0.86 0.00 0.00 177.93 179.87 1u4c n LYS 264 N -2.97 -3.60 -1.94 2.45 5.02 -1.05 -4.97 118.16 111.10 1u4c n LYS 264 Ca -0.02 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 56.79 1u4c n LYS 264 Cb 0.09 -5.59 0.04 0.00 -0.02 0.00 0.00 35.03 29.56 1u4c n LYS 264 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1u4c s PHE 265 N -3.04 3.33 -0.22 2.13 2.99 -1.26 -4.61 117.98 117.30 1u4c s PHE 265 Ca 0.21 1.02 -0.12 0.00 0.00 0.00 0.00 56.93 58.04 1u4c s PHE 265 Cb -0.10 -3.03 -0.05 0.00 0.00 0.00 0.00 43.02 39.85 1u4c s PHE 265 CO 0.26 -1.13 0.23 -1.17 -0.00 0.00 0.00 175.22 173.42 1u4c s LEU 266 N -5.32 4.15 -0.10 -0.37 2.96 -0.52 -1.42 118.68 118.07 1u4c s LEU 266 Ca 0.58 0.26 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 1u4c s LEU 266 Cb -0.11 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1u4c s LEU 266 CO 0.51 0.04 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.27 1u4c s TYR 267 N 0.99 3.11 -0.06 5.38 1.51 0.16 -0.43 117.35 128.01 1u4c s TYR 267 Ca 0.11 0.10 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1u4c s TYR 267 Cb -0.13 -1.82 0.01 0.00 -0.11 0.00 0.00 41.96 39.91 1u4c s TYR 267 CO 0.05 0.36 -0.13 0.95 -1.11 0.00 0.00 175.55 175.67 1u4c s THR 268 N -0.64 1.17 -0.34 -0.71 -4.23 -0.84 -2.40 115.64 107.65 1u4c s THR 268 Ca 0.10 -0.51 -0.10 0.00 -1.18 0.00 0.00 61.69 60.00 1u4c s THR 268 Cb -0.12 -1.06 0.01 0.00 1.34 0.00 0.00 72.50 72.68 1u4c s THR 268 CO 0.02 0.36 0.17 0.00 -0.54 0.00 0.00 174.62 174.63 1u4c s ALA 269 N 0.58 3.25 0.37 3.99 0.00 -0.28 -2.04 121.76 127.62 1u4c s ALA 269 Ca -0.13 -1.58 0.07 0.00 0.00 0.00 0.00 51.96 50.31 1u4c s ALA 269 Cb -0.15 -2.47 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 1u4c s ALA 269 CO 0.04 -1.18 0.51 0.20 0.00 0.00 0.00 175.76 175.32 1u4c s GLY 270 N 1.56 1.75 0.00 0.00 0.00 -1.24 -1.47 107.32 107.92 1u4c s GLY 270 Ca 0.03 -1.56 0.31 0.00 0.00 0.00 0.00 44.72 43.50 1u4c s GLY 270 CO 0.06 -1.43 2.11 1.44 0.00 0.00 0.00 173.10 175.28 1u4c n SER 271 N -1.72 0.05 -0.55 1.64 7.64 -0.25 -2.06 113.62 118.37 1u4c n SER 271 Ca 0.03 -0.55 0.13 0.00 1.01 0.00 0.00 58.87 59.49 1u4c n SER 271 Cb 0.59 -0.15 0.29 0.00 -1.01 0.00 0.00 64.21 63.92 1u4c n SER 271 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1u4c n ASP 272 N -1.12 1.87 -2.10 6.43 5.75 -1.26 -4.46 116.55 121.65 1u4c n ASP 272 Ca 0.18 -1.49 -0.07 0.00 -0.01 0.00 0.00 54.79 53.40 1u4c n ASP 272 Cb 0.19 0.12 0.04 0.00 -1.03 0.00 0.00 41.12 40.44 1u4c n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1u4c n GLY 273 N 1.30 0.07 2.78 6.12 0.00 -1.04 -4.99 105.19 109.44 1u4c n GLY 273 Ca 0.14 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1u4c n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u4c s ILE 274 N -3.16 -0.40 -0.29 -0.61 1.01 -1.26 -4.31 121.20 112.18 1u4c s ILE 274 Ca 0.03 -0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 1u4c s ILE 274 Cb -0.00 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.65 1u4c s ILE 274 CO 0.32 -0.29 0.93 -0.63 0.00 0.00 0.00 174.94 175.27 1u4c s ILE 275 N 2.38 4.69 0.23 2.92 1.01 -1.26 -3.74 121.20 127.43 1u4c s ILE 275 Ca 0.09 1.54 0.08 0.00 0.00 0.00 0.00 60.65 62.36 1u4c s ILE 275 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1u4c s ILE 275 CO -0.21 -0.30 0.05 -0.94 0.00 0.00 0.00 174.94 173.55 1u4c s SER 276 N 1.54 4.88 -0.15 3.58 1.04 -0.86 -0.34 113.70 123.38 1u4c s SER 276 Ca 0.39 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.34 1u4c s SER 276 Cb -0.14 -1.05 -0.02 0.00 0.10 0.00 0.00 66.02 64.91 1u4c s SER 276 CO 0.12 0.03 -0.08 0.00 0.98 0.00 0.00 173.24 174.28 1u4c s TRP 278 N 0.47 1.91 -0.48 0.00 0.52 0.43 0.34 118.94 122.14 1u4c s TRP 278 Ca -0.06 -0.37 -0.12 0.00 0.02 0.00 0.00 56.10 55.57 1u4c s TRP 278 Cb -0.15 -1.21 0.10 0.00 -1.15 0.00 0.00 33.47 31.07 1u4c s TRP 278 CO 0.04 0.01 0.37 1.21 0.02 0.00 0.00 176.95 178.59 1u4c s ASN 279 N -0.70 5.89 0.12 2.95 3.84 0.19 -1.44 114.94 125.79 1u4c s ASN 279 Ca 0.08 -1.67 -0.13 0.00 0.21 0.00 0.00 52.86 51.35 1u4c s ASN 279 Cb -0.08 -2.09 -0.07 0.00 -0.55 0.00 0.00 41.25 38.45 1u4c s ASN 279 CO -0.00 -0.69 1.43 -0.07 -2.79 0.00 0.00 177.10 174.98 1u4c h LEU 280 N 8.61 0.86 -0.83 3.21 3.38 -1.91 0.94 115.31 129.58 1u4c h LEU 280 Ca -0.25 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.24 1u4c h LEU 280 Cb 1.09 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1u4c h LEU 280 CO 0.88 1.17 0.14 0.00 0.09 0.00 0.00 178.44 180.73 1u4c n GLN 281 N -4.16 0.08 0.00 1.13 3.00 -1.26 -0.59 117.38 115.58 1u4c n GLN 281 Ca -0.03 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.50 1u4c n GLN 281 Cb 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.85 1u4c n GLN 281 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1u4c n THR 282 N -1.94 0.00 -3.76 5.09 5.66 -1.04 -5.04 114.28 113.25 1u4c n THR 282 Ca -0.01 -0.20 -0.24 0.00 -3.05 0.00 0.00 64.05 60.55 1u4c n THR 282 Cb 0.16 1.47 0.03 0.00 -1.55 0.00 0.00 70.33 70.45 1u4c n THR 282 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1u4c n ARG 283 N -0.08 -5.25 -3.97 1.09 1.74 0.31 -4.99 116.66 105.50 1u4c n ARG 283 Ca 0.00 0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 57.61 1u4c n ARG 283 Cb 0.12 -5.31 -0.10 0.00 -1.02 0.00 0.00 32.46 26.15 1u4c n ARG 283 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1u4c s LYS 284 N -6.19 0.50 0.01 5.56 2.20 -0.07 -4.97 119.74 116.78 1u4c s LYS 284 Ca 0.24 -0.77 -0.28 0.00 -0.36 0.00 0.00 55.97 54.80 1u4c s LYS 284 Cb -0.12 0.19 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 1u4c s LYS 284 CO 0.81 -0.11 0.91 0.21 -0.36 0.00 0.00 175.35 176.82 1u4c s LYS 285 N -2.40 4.56 -0.13 4.03 2.20 -1.26 0.55 119.74 127.28 1u4c s LYS 285 Ca -0.07 1.30 -0.09 0.00 -0.36 0.00 0.00 55.97 56.76 1u4c s LYS 285 Cb -0.03 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.80 1u4c s LYS 285 CO -0.04 0.04 0.00 0.82 -0.36 0.00 0.00 175.35 175.81 1u4c h ILE 286 N 4.62 0.23 -3.28 5.43 2.04 -0.45 -3.47 117.51 122.64 1u4c h ILE 286 Ca -0.42 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.14 1u4c h ILE 286 Cb 1.21 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1u4c h ILE 286 CO 0.74 0.08 0.15 -1.59 0.00 0.00 0.00 178.15 177.54 1u4c s LYS 287 N -1.99 2.13 -0.18 2.37 -2.85 -1.16 -4.98 119.74 113.09 1u4c s LYS 287 Ca -0.11 -1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 53.34 1u4c s LYS 287 Cb 0.01 0.58 0.06 0.00 -2.06 0.00 0.00 37.83 36.42 1u4c s LYS 287 CO 0.21 -0.97 0.03 -0.80 0.10 0.00 0.00 175.35 173.92 1u4c s ASN 288 N -3.10 2.74 0.36 0.03 -0.87 -1.26 0.26 114.94 113.09 1u4c s ASN 288 Ca 0.19 -0.73 -0.28 0.00 -1.57 0.00 0.00 52.86 50.47 1u4c s ASN 288 Cb -0.04 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.25 40.51 1u4c s ASN 288 CO 0.13 -0.29 1.35 -0.36 -2.57 0.00 0.00 177.10 175.36 1u4c s PHE 289 N 1.87 2.90 0.72 2.20 0.40 0.54 -4.95 117.98 121.66 1u4c s PHE 289 Ca -0.00 1.36 -0.16 0.00 -0.60 0.00 0.00 56.93 57.52 1u4c s PHE 289 Cb -0.16 -3.76 0.03 0.00 0.51 0.00 0.00 43.02 39.63 1u4c s PHE 289 CO -0.08 -2.17 1.23 0.00 0.70 0.00 0.00 175.22 174.90 1u4c n ALA 290 N 0.60 0.57 -1.74 5.36 0.00 -1.26 -4.19 120.51 119.85 1u4c n ALA 290 Ca 0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1u4c n ALA 290 Cb 0.41 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 1u4c n ALA 290 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1u4c n LYS 291 N -2.44 2.59 0.04 0.00 4.81 -1.26 -4.85 118.16 117.05 1u4c n LYS 291 Ca 0.15 0.92 -0.22 0.00 -0.87 0.00 0.00 58.31 58.29 1u4c n LYS 291 Cb 0.49 -2.67 -0.14 0.00 0.02 0.00 0.00 35.03 32.73 1u4c n LYS 291 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1u4c h PHE 292 N 4.37 0.56 0.00 5.64 -1.00 -1.91 -3.50 116.94 121.10 1u4c h PHE 292 Ca -0.47 -0.41 0.00 0.00 2.81 0.00 0.00 57.97 59.90 1u4c h PHE 292 Cb 1.24 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1u4c h PHE 292 CO 0.57 1.59 0.00 0.27 -1.61 0.00 0.00 178.31 179.13 1u4c n ASN 293 N -3.80 0.00 0.00 2.17 0.23 -1.26 -5.08 115.26 107.52 1u4c n ASN 293 Ca -0.24 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.81 1u4c n ASN 293 Cb 0.97 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.67 1u4c n ASN 293 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1u4c n GLU 294 N 0.00 2.86 0.00 -3.83 -0.58 -1.26 -5.09 120.64 112.75 1u4c n GLU 294 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1u4c n GLU 294 Cb 0.00 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1u4c n GLU 294 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1u4c n ASP 295 N -1.92 0.00 -4.11 1.62 8.00 -1.26 -4.95 116.55 113.93 1u4c n ASP 295 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1u4c n ASP 295 Cb 0.44 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.38 1u4c n ASP 295 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1u4c s SER 296 N -1.44 1.97 -0.03 -2.24 1.04 -1.01 -4.07 113.70 107.93 1u4c s SER 296 Ca 0.00 -0.32 -0.30 0.00 0.48 0.00 0.00 55.95 55.81 1u4c s SER 296 Cb 0.00 -0.51 -0.07 0.00 0.10 0.00 0.00 66.02 65.55 1u4c s SER 296 CO 0.00 0.14 1.75 -0.69 0.98 0.00 0.00 173.24 175.43 1u4c s VAL 297 N 0.02 3.41 -0.36 5.02 1.01 -0.88 -2.52 120.40 126.11 1u4c s VAL 297 Ca -0.03 0.49 0.22 0.00 0.00 0.00 0.00 61.98 62.66 1u4c s VAL 297 Cb -0.10 -3.32 -0.28 0.00 0.00 0.00 0.00 36.38 32.67 1u4c s VAL 297 CO 0.02 -0.04 0.65 0.52 0.00 0.00 0.00 175.10 176.24 1u4c n VAL 298 N 5.51 0.03 -3.62 2.92 0.31 -0.73 -4.34 118.33 118.40 1u4c n VAL 298 Ca 0.18 -0.34 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 1u4c n VAL 298 Cb 0.42 0.30 -0.07 0.00 -0.91 0.00 0.00 33.84 33.58 1u4c n VAL 298 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1u4c s LYS 299 N -3.34 0.81 0.26 5.55 -0.14 -1.17 -4.59 119.74 117.12 1u4c s LYS 299 Ca -0.02 0.90 0.03 0.00 -1.36 0.00 0.00 55.97 55.52 1u4c s LYS 299 Cb 0.14 0.39 -0.05 0.00 -1.68 0.00 0.00 37.83 36.63 1u4c s LYS 299 CO 0.89 -0.11 0.02 0.96 -0.76 0.00 0.00 175.35 176.35 1u4c s ILE 300 N 0.26 1.05 -0.18 2.17 -4.36 -1.26 -0.95 121.20 117.93 1u4c s ILE 300 Ca -0.00 -2.03 -0.13 0.00 -0.26 0.00 0.00 60.65 58.23 1u4c s ILE 300 Cb -0.05 -2.49 0.05 0.00 1.25 0.00 0.00 42.46 41.22 1u4c s ILE 300 CO 0.01 -0.21 0.46 0.00 0.24 0.00 0.00 174.94 175.44 1u4c s ALA 301 N -3.41 -1.18 -0.22 2.27 0.00 0.00 -4.82 121.76 114.42 1u4c s ALA 301 Ca 0.32 1.51 0.02 0.00 0.00 0.00 0.00 51.96 53.81 1u4c s ALA 301 Cb 0.07 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.33 1u4c s ALA 301 CO 0.11 -0.25 -0.14 0.00 0.00 0.00 0.00 175.76 175.47 1u4c s SER 303 N 1.22 1.80 0.00 0.00 0.15 0.29 -4.63 113.70 112.53 1u4c s SER 303 Ca -0.02 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1u4c s SER 303 Cb -0.17 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1u4c s SER 303 CO -0.09 0.13 0.00 -0.67 1.20 0.00 0.00 173.24 173.82 1u4c n ASP 304 N 3.10 0.00 -0.10 5.45 2.03 -1.26 0.15 116.55 125.91 1u4c n ASP 304 Ca -0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.03 1u4c n ASP 304 Cb 0.54 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.78 1u4c n ASP 304 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1u4c n ASN 305 N -1.23 0.27 -4.55 1.67 4.13 -1.26 -4.79 115.26 109.50 1u4c n ASN 305 Ca 0.00 -0.02 -0.24 0.00 1.68 0.00 0.00 54.58 56.01 1u4c n ASN 305 Cb 0.00 0.83 -0.09 0.00 -1.54 0.00 0.00 39.78 38.98 1u4c n ASN 305 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1u4c s ILE 306 N -2.49 2.94 -0.18 2.41 -4.36 0.12 -1.41 121.20 118.24 1u4c s ILE 306 Ca -0.13 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.10 1u4c s ILE 306 Cb 0.06 -2.55 0.05 0.00 1.25 0.00 0.00 42.46 41.27 1u4c s ILE 306 CO 0.80 -0.37 -0.02 -0.22 0.24 0.00 0.00 174.94 175.36 1u4c s LEU 307 N -3.54 1.56 -0.09 0.37 0.20 -0.73 -0.54 118.68 115.91 1u4c s LEU 307 Ca 0.30 -0.75 -0.06 0.00 0.69 0.00 0.00 54.13 54.31 1u4c s LEU 307 Cb -0.06 -0.82 -0.04 0.00 -0.43 0.00 0.00 46.19 44.84 1u4c s LEU 307 CO 0.17 -0.23 0.16 0.00 -0.29 0.00 0.00 176.35 176.16 1u4c s LEU 309 N -1.21 0.47 -0.10 0.00 0.05 -0.85 -0.81 118.68 116.22 1u4c s LEU 309 Ca 0.18 0.00 -0.06 0.00 0.05 0.00 0.00 54.13 54.30 1u4c s LEU 309 Cb -0.12 -0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 43.71 1u4c s LEU 309 CO 0.07 -0.21 0.14 0.00 -0.55 0.00 0.00 176.35 175.80 1u4c s ALA 310 N 1.92 3.86 0.28 1.48 0.00 -0.13 -1.25 121.76 127.93 1u4c s ALA 310 Ca 0.03 -0.67 0.11 0.00 0.00 0.00 0.00 51.96 51.43 1u4c s ALA 310 Cb -0.12 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 21.02 1u4c s ALA 310 CO -0.04 0.63 -0.12 0.95 0.00 0.00 0.00 175.76 177.19 1u4c s THR 311 N -1.06 2.77 -0.15 0.00 -4.23 0.24 -1.78 115.64 111.43 1u4c s THR 311 Ca 0.16 -2.21 -0.23 0.00 -1.18 0.00 0.00 61.69 58.23 1u4c s THR 311 Cb -0.12 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.25 1u4c s THR 311 CO 0.06 -0.36 0.59 -0.44 -0.54 0.00 0.00 174.62 173.92 1u4c s SER 312 N -3.58 -0.58 -0.49 3.99 0.01 -1.05 -2.99 113.70 109.01 1u4c s SER 312 Ca 0.31 0.92 -0.28 0.00 1.31 0.00 0.00 55.95 58.21 1u4c s SER 312 Cb -0.05 0.90 0.01 0.00 0.21 0.00 0.00 66.02 67.10 1u4c s SER 312 CO 0.17 -0.36 1.44 -0.62 0.41 0.00 0.00 173.24 174.27 1u4c s ASP 313 N -0.36 6.18 0.00 2.44 -1.08 -1.26 -2.40 116.67 120.20 1u4c s ASP 313 Ca -0.05 0.55 0.01 0.00 -0.52 0.00 0.00 52.55 52.54 1u4c s ASP 313 Cb -0.03 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1u4c s ASP 313 CO 0.04 -1.61 0.98 -0.67 0.52 0.00 0.00 175.17 174.43 1u4c n ASP 314 N 9.38 0.00 0.32 -0.34 2.03 -1.26 -2.53 116.55 124.14 1u4c n ASP 314 Ca 0.15 0.46 0.19 0.00 0.52 0.00 0.00 54.79 56.10 1u4c n ASP 314 Cb 0.49 -0.46 0.98 0.00 -0.72 0.00 0.00 41.12 41.40 1u4c n ASP 314 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1u4c h THR 315 N 0.00 0.07 -0.87 5.18 2.02 -1.95 0.83 112.91 118.18 1u4c h THR 315 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 1u4c h THR 315 Cb 0.01 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1u4c h THR 315 CO 0.00 0.00 0.57 0.15 0.37 0.00 0.00 175.52 176.61 1u4c h PHE 316 N 0.00 0.95 -0.17 3.16 3.57 -1.83 -0.98 116.94 121.64 1u4c h PHE 316 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1u4c h PHE 316 Cb 0.39 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1u4c h PHE 316 CO 0.00 0.46 0.00 0.36 -2.23 0.00 0.00 178.31 176.90 1u4c n LYS 317 N -4.51 2.90 -0.06 1.11 2.85 0.17 -4.65 118.16 115.97 1u4c n LYS 317 Ca 0.14 -1.81 -0.08 0.00 -1.05 0.00 0.00 58.31 55.52 1u4c n LYS 317 Cb 0.27 -1.15 -0.08 0.00 -0.65 0.00 0.00 35.03 33.42 1u4c n LYS 317 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1u4c n THR 318 N -0.04 0.82 -4.26 0.58 -1.04 -0.52 -5.02 114.28 104.79 1u4c n THR 318 Ca 0.06 -0.43 -0.33 0.00 -2.04 0.00 0.00 64.05 61.32 1u4c n THR 318 Cb 0.35 -0.82 -0.09 0.00 -1.82 0.00 0.00 70.33 67.96 1u4c n THR 318 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1u4c s ASN 319 N -4.82 5.21 -0.36 8.00 3.84 -0.42 -5.02 114.94 121.37 1u4c s ASN 319 Ca -0.11 0.03 -0.02 0.00 0.21 0.00 0.00 52.86 52.96 1u4c s ASN 319 Cb 0.04 -1.39 0.08 0.00 -0.55 0.00 0.00 41.25 39.43 1u4c s ASN 319 CO 0.42 0.29 0.12 0.00 -2.79 0.00 0.00 177.10 175.13 1u4c s ALA 320 N -1.08 3.01 0.00 1.71 0.00 -1.26 -4.88 121.76 119.25 1u4c s ALA 320 Ca 0.19 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.96 1u4c s ALA 320 Cb -0.12 -2.21 0.00 0.00 0.00 0.00 0.00 23.12 20.79 1u4c s ALA 320 CO 0.10 -1.57 0.00 0.00 0.00 0.00 0.00 175.76 174.29 1u4c n ALA 321 N 4.60 0.00 0.00 0.00 0.00 -1.26 -5.28 120.51 118.58 1u4c n ALA 321 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1u4c n ALA 321 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1u4c n ALA 321 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u4c n THR 325 N 0.00 0.00 -2.79 0.00 -1.04 -1.26 -5.27 114.28 103.93 1u4c n THR 325 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1u4c n THR 325 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1u4c n THR 325 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1u4c s ILE 326 N 0.00 4.16 0.47 12.58 -1.09 -1.26 -5.06 121.20 131.01 1u4c s ILE 326 Ca 0.00 2.02 -0.20 0.00 -2.23 0.00 0.00 60.65 60.25 1u4c s ILE 326 Cb 0.00 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.49 1u4c s ILE 326 CO 0.00 0.49 0.99 -0.70 -1.23 0.00 0.00 174.94 174.49 1u4c s GLU 327 N -1.06 3.97 0.41 2.79 2.56 -1.26 -5.03 118.70 121.08 1u4c s GLU 327 Ca 0.41 1.18 -0.23 0.00 0.00 0.00 0.00 54.97 56.33 1u4c s GLU 327 Cb -0.25 -2.13 -0.09 0.00 2.00 0.00 0.00 34.13 33.65 1u4c s GLU 327 CO 0.31 -0.26 1.01 -0.51 -0.56 0.00 0.00 175.26 175.24 1u4c s LEU 328 N -3.52 4.08 0.29 2.70 1.43 -1.26 -5.01 118.68 117.39 1u4c s LEU 328 Ca 0.63 1.90 -0.29 0.00 -1.03 0.00 0.00 54.13 55.35 1u4c s LEU 328 Cb -0.12 -4.30 -0.10 0.00 0.03 0.00 0.00 46.19 41.70 1u4c s LEU 328 CO 0.20 -0.44 1.26 0.20 0.23 0.00 0.00 176.35 177.80 1u4c s ASN 329 N -1.78 6.92 -0.29 2.29 0.02 -1.26 -4.95 114.94 115.89 1u4c s ASN 329 Ca 0.59 2.53 -0.29 0.00 -1.02 0.00 0.00 52.86 54.68 1u4c s ASN 329 Cb -0.17 -2.64 -0.02 0.00 0.02 0.00 0.00 41.25 38.44 1u4c s ASN 329 CO 0.22 -0.44 1.69 0.00 0.02 0.00 0.00 177.10 178.60 1u4c s ALA 330 N -0.92 3.06 0.10 0.60 0.00 -1.26 -4.06 121.76 119.28 1u4c s ALA 330 Ca 0.49 0.33 -0.36 0.00 0.00 0.00 0.00 51.96 52.42 1u4c s ALA 330 Cb -0.37 -3.94 -0.16 0.00 0.00 0.00 0.00 23.12 18.65 1u4c s ALA 330 CO 0.47 -2.31 1.45 -1.13 0.00 0.00 0.00 175.76 174.24 1u4c n SER 331 N 9.36 2.20 -4.99 0.00 3.41 -1.24 -4.93 113.62 117.42 1u4c n SER 331 Ca 0.21 1.10 -0.19 0.00 -0.26 0.00 0.00 58.87 59.73 1u4c n SER 331 Cb 0.46 -1.27 -0.00 0.00 -0.26 0.00 0.00 64.21 63.14 1u4c n SER 331 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1u4c s SER 332 N 0.80 5.92 -0.07 4.04 0.01 -1.16 -4.64 113.70 118.61 1u4c s SER 332 Ca 0.83 -0.20 -0.03 0.00 1.31 0.00 0.00 55.95 57.86 1u4c s SER 332 Cb -0.86 -1.16 0.04 0.00 0.21 0.00 0.00 66.02 64.25 1u4c s SER 332 CO 0.44 -0.49 0.12 -0.63 0.41 0.00 0.00 173.24 173.09 1u4c s ILE 333 N -2.22 -0.19 0.40 1.44 1.01 -1.26 -0.60 121.20 119.79 1u4c s ILE 333 Ca 0.47 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.57 1u4c s ILE 333 Cb -0.10 -0.23 -0.06 0.00 0.01 0.00 0.00 42.46 42.08 1u4c s ILE 333 CO 0.32 0.16 0.10 -0.31 0.00 0.00 0.00 174.94 175.20 1u4c s TYR 334 N 2.19 2.57 -0.01 3.97 1.51 -0.38 -0.04 117.35 127.16 1u4c s TYR 334 Ca 0.03 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1u4c s TYR 334 Cb -0.12 -1.83 0.00 0.00 -0.11 0.00 0.00 41.96 39.90 1u4c s TYR 334 CO -0.05 0.32 -0.02 0.42 -1.11 0.00 0.00 175.55 175.11 1u4c s ILE 335 N -2.63 0.22 -0.23 2.71 1.01 -1.03 -2.01 121.20 119.25 1u4c s ILE 335 Ca 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1u4c s ILE 335 Cb 0.05 -0.21 0.02 0.00 0.01 0.00 0.00 42.46 42.33 1u4c s ILE 335 CO 0.21 0.08 -0.09 -0.63 0.00 0.00 0.00 174.94 174.50 1u4c s ILE 336 N 0.14 2.73 -0.09 2.92 1.01 -0.34 -1.93 121.20 125.63 1u4c s ILE 336 Ca -0.01 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 1u4c s ILE 336 Cb -0.03 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 1u4c s ILE 336 CO -0.00 0.31 0.36 -0.36 0.00 0.00 0.00 174.94 175.25 1u4c s PHE 337 N 1.33 3.58 -1.18 3.97 0.08 -0.94 -1.77 117.98 123.05 1u4c s PHE 337 Ca 0.02 0.80 -0.02 0.00 0.12 0.00 0.00 56.93 57.84 1u4c s PHE 337 Cb -0.15 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1u4c s PHE 337 CO -0.06 0.42 0.92 -0.25 -0.10 0.00 0.00 175.22 176.15 1u4c n ASP 338 N 2.79 -3.02 0.05 1.36 10.43 -0.50 -2.28 116.55 125.39 1u4c n ASP 338 Ca -0.12 -0.69 0.10 0.00 2.57 0.00 0.00 54.79 56.64 1u4c n ASP 338 Cb 0.52 -4.90 0.40 0.00 1.84 0.00 0.00 41.12 38.98 1u4c n ASP 338 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1u4c n TYR 339 N -3.96 0.33 -1.69 1.24 0.18 -1.25 -4.72 117.16 107.29 1u4c n TYR 339 Ca -0.24 0.13 0.00 0.00 1.88 0.00 0.00 57.90 59.67 1u4c n TYR 339 Cb 0.66 -0.70 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1u4c n TYR 339 CO 0.00 0.00 0.00 -0.85 -2.08 0.00 0.00 176.86 173.93