#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ua4 s THR 3 N 0.00 2.45 0.22 0.52 -4.23 -1.26 -4.85 115.64 108.49 1ua4 s THR 3 Ca 0.00 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 1ua4 s THR 3 Cb 0.00 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 71.13 1ua4 s THR 3 CO 0.00 -0.19 1.75 -0.50 -0.54 0.00 0.00 174.62 175.14 1ua4 h TRP 4 N -1.40 1.11 -0.94 3.99 4.06 -2.01 -1.68 115.95 119.08 1ua4 h TRP 4 Ca -0.50 -0.12 0.01 0.00 2.06 0.00 0.00 58.89 60.34 1ua4 h TRP 4 Cb 1.30 -0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 29.10 1ua4 h TRP 4 CO 0.36 0.90 0.62 0.93 -3.56 0.00 0.00 178.44 177.70 1ua4 h GLU 5 N 1.02 1.24 -0.40 0.49 4.39 -1.99 0.24 114.58 119.56 1ua4 h GLU 5 Ca 0.22 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.72 1ua4 h GLU 5 Cb 0.34 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1ua4 h GLU 5 CO -0.00 0.82 -0.25 0.93 -1.16 0.00 0.00 179.01 179.34 1ua4 h GLU 6 N 1.27 0.83 -0.68 2.33 5.08 -1.84 -1.84 114.58 119.73 1ua4 h GLU 6 Ca 0.35 -0.36 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1ua4 h GLU 6 Cb -0.14 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1ua4 h GLU 6 CO -0.08 0.99 0.15 -0.07 -1.00 0.00 0.00 179.01 179.01 1ua4 h LEU 7 N 0.71 1.04 -0.20 1.33 3.38 -0.69 -1.72 115.31 119.17 1ua4 h LEU 7 Ca 0.09 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ua4 h LEU 7 Cb 0.79 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1ua4 h LEU 7 CO 0.07 1.01 0.12 1.88 0.09 0.00 0.00 178.44 181.61 1ua4 h TYR 8 N 1.03 0.27 -0.17 1.13 -1.99 -0.77 -1.41 116.97 115.06 1ua4 h TYR 8 Ca 0.21 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.97 1ua4 h TYR 8 Cb 0.39 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1ua4 h TYR 8 CO 0.03 0.23 -0.03 -0.22 -0.00 0.00 0.00 178.16 178.16 1ua4 h LYS 9 N 0.23 0.01 -0.81 4.88 1.63 -1.12 -1.70 116.57 119.70 1ua4 h LYS 9 Ca 0.07 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1ua4 h LYS 9 Cb 0.04 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1ua4 h LYS 9 CO -0.01 0.01 0.44 -0.91 -3.45 0.00 0.00 179.45 175.52 1ua4 h ASN 10 N 0.01 1.01 -0.45 4.20 2.35 -1.20 -2.39 115.58 119.11 1ua4 h ASN 10 Ca 0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1ua4 h ASN 10 Cb 0.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1ua4 h ASN 10 CO -0.17 0.81 0.20 0.00 -1.65 0.00 0.00 177.43 176.63 1ua4 h ALA 11 N 1.35 0.58 -0.31 -0.83 0.00 -0.73 -1.30 119.26 118.02 1ua4 h ALA 11 Ca 0.29 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1ua4 h ALA 11 Cb 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ua4 h ALA 11 CO -0.05 0.16 -0.48 0.97 0.00 0.00 0.00 179.25 179.85 1ua4 h ILE 12 N 0.58 1.28 -0.79 0.00 6.09 -1.17 -0.80 117.51 122.70 1ua4 h ILE 12 Ca 0.15 -1.67 -0.04 0.00 -1.37 0.00 0.00 64.86 61.94 1ua4 h ILE 12 Cb 0.15 1.55 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 1ua4 h ILE 12 CO -0.02 0.55 0.35 -0.33 -3.07 0.00 0.00 178.15 175.63 1ua4 h GLU 13 N 0.67 1.16 -0.21 2.19 4.39 -1.34 0.22 114.58 121.66 1ua4 h GLU 13 Ca 0.03 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1ua4 h GLU 13 Cb 1.07 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1ua4 h GLU 13 CO 0.11 0.92 0.02 -0.22 -1.16 0.00 0.00 179.01 178.68 1ua4 h LYS 14 N 1.13 0.36 -0.68 2.33 3.64 -1.11 -3.19 116.57 119.05 1ua4 h LYS 14 Ca 0.27 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 1ua4 h LYS 14 Cb 0.17 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1ua4 h LYS 14 CO -0.03 0.52 0.12 0.00 -2.27 0.00 0.00 179.45 177.80 1ua4 h ALA 15 N 0.82 0.90 -0.44 5.00 0.00 -0.85 -1.10 119.26 123.59 1ua4 h ALA 15 Ca 0.06 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ua4 h ALA 15 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ua4 h ALA 15 CO 0.01 0.66 0.30 0.82 0.00 0.00 0.00 179.25 181.04 1ua4 h ILE 16 N 1.04 0.92 0.16 0.00 2.04 -0.97 -0.60 117.51 120.10 1ua4 h ILE 16 Ca 0.21 -0.10 -0.31 0.00 1.00 0.00 0.00 64.86 65.66 1ua4 h ILE 16 Cb 0.43 0.61 0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1ua4 h ILE 16 CO 0.01 0.05 -1.57 0.50 0.00 0.00 0.00 178.15 177.15 1ua4 h LYS 17 N 0.28 0.33 0.18 2.37 3.64 -1.48 -3.41 116.57 118.49 1ua4 h LYS 17 Ca 0.20 -0.57 -0.24 0.00 -1.27 0.00 0.00 60.65 58.77 1ua4 h LYS 17 Cb 0.42 0.21 0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1ua4 h LYS 17 CO -0.04 1.27 -1.04 0.66 -2.27 0.00 0.00 179.45 178.03 1ua4 h SER 18 N -0.08 0.61 -0.66 4.20 4.64 -0.90 -3.38 113.55 117.98 1ua4 h SER 18 Ca -0.32 -0.94 0.13 0.00 -0.47 0.00 0.00 61.79 60.20 1ua4 h SER 18 Cb 1.94 -0.20 -0.10 0.00 -0.31 0.00 0.00 62.40 63.74 1ua4 h SER 18 CO 0.13 1.50 0.15 0.58 -0.87 0.00 0.00 176.83 178.32 1ua4 h VAL 19 N -0.17 0.59 0.00 0.95 2.07 -1.35 -0.33 116.25 118.00 1ua4 h VAL 19 Ca -0.18 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1ua4 h VAL 19 Cb 1.82 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1ua4 h VAL 19 CO 0.20 0.05 0.00 -2.65 0.02 0.00 0.00 177.57 175.18 1ua4 n PRO 20 N -5.14 0.01 0.07 1.57 -0.02 -1.26 -1.77 135.00 128.46 1ua4 n PRO 20 Ca 0.11 0.40 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1ua4 n PRO 20 Cb 0.38 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.61 1ua4 n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ua4 n LYS 21 N -1.42 0.26 -1.88 -0.52 5.02 -0.13 -4.85 118.16 114.64 1ua4 n LYS 21 Ca 0.01 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1ua4 n LYS 21 Cb 0.02 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 1ua4 n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ua4 s VAL 22 N -3.14 2.64 0.18 -0.18 1.01 -0.73 -4.91 120.40 115.28 1ua4 s VAL 22 Ca 0.08 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.42 1ua4 s VAL 22 Cb 0.13 -3.23 -0.11 0.00 0.00 0.00 0.00 36.38 33.18 1ua4 s VAL 22 CO 0.68 0.02 1.44 0.11 0.00 0.00 0.00 175.10 177.34 1ua4 h LYS 23 N 7.41 0.29 -1.02 2.72 1.79 -1.90 -3.40 116.57 122.45 1ua4 h LYS 23 Ca -0.43 -0.26 0.25 0.00 -2.18 0.00 0.00 60.65 58.03 1ua4 h LYS 23 Cb 1.20 0.06 -0.28 0.00 -1.58 0.00 0.00 32.23 31.63 1ua4 h LYS 23 CO 0.93 0.92 0.98 0.20 -1.08 0.00 0.00 179.45 181.40 1ua4 s GLY 24 N -4.39 0.13 -0.03 3.86 0.00 -1.26 -4.33 107.32 101.30 1ua4 s GLY 24 Ca -0.04 2.93 0.01 0.00 0.00 0.00 0.00 44.72 47.62 1ua4 s GLY 24 CO 0.83 1.16 -0.02 0.14 0.00 0.00 0.00 173.10 175.21 1ua4 s VAL 25 N -0.95 0.32 -0.05 1.40 1.01 -0.43 -0.10 120.40 121.60 1ua4 s VAL 25 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1ua4 s VAL 25 Cb -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1ua4 s VAL 25 CO -0.09 0.16 0.55 -0.22 0.00 0.00 0.00 175.10 175.50 1ua4 s LEU 26 N 0.78 4.36 -0.07 3.92 2.96 -0.15 -1.56 118.68 128.91 1ua4 s LEU 26 Ca -0.09 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 1ua4 s LEU 26 Cb -0.12 -2.82 0.02 0.00 0.50 0.00 0.00 46.19 43.76 1ua4 s LEU 26 CO -0.01 0.06 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.22 1ua4 s LEU 27 N 0.14 1.54 0.25 -0.68 1.43 0.73 -0.79 118.68 121.30 1ua4 s LEU 27 Ca 0.29 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 52.95 1ua4 s LEU 27 Cb -0.17 -0.78 0.01 0.00 0.03 0.00 0.00 46.19 45.29 1ua4 s LEU 27 CO 0.14 0.00 0.57 -0.83 0.23 0.00 0.00 176.35 176.46 1ua4 s GLY 28 N 0.84 0.18 0.00 -3.19 0.00 -0.78 -0.79 107.32 103.59 1ua4 s GLY 28 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.07 1ua4 s GLY 28 CO 0.02 -0.36 0.20 -1.72 0.00 0.00 0.00 173.10 171.23 1ua4 n TYR 29 N -0.40 0.00 -3.46 1.90 4.01 -0.51 -0.65 117.16 118.05 1ua4 n TYR 29 Ca -0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.31 1ua4 n TYR 29 Cb 0.61 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 1ua4 n TYR 29 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1ua4 s ASN 30 N -0.52 6.21 -0.03 7.72 4.22 -1.25 -4.38 114.94 126.90 1ua4 s ASN 30 Ca 0.00 0.23 0.01 0.00 -2.14 0.00 0.00 52.86 50.96 1ua4 s ASN 30 Cb 0.00 -2.18 0.02 0.00 1.28 0.00 0.00 41.25 40.37 1ua4 s ASN 30 CO 0.00 -0.12 -0.01 -0.89 -2.04 0.00 0.00 177.10 174.03 1ua4 s THR 31 N 1.84 0.26 0.11 0.54 2.01 -1.26 -1.66 115.64 117.49 1ua4 s THR 31 Ca 0.13 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.12 1ua4 s THR 31 Cb -0.16 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1ua4 s THR 31 CO 0.10 0.15 0.19 -0.46 -0.69 0.00 0.00 174.62 173.90 1ua4 n ASN 32 N 3.98 -0.53 -4.43 3.53 0.23 -0.35 -4.58 115.26 113.10 1ua4 n ASN 32 Ca -0.25 -1.52 -0.35 0.00 -0.53 0.00 0.00 54.58 51.93 1ua4 n ASN 32 Cb 0.51 0.93 -0.13 0.00 -2.08 0.00 0.00 39.78 39.02 1ua4 n ASN 32 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1ua4 s ILE 33 N -2.64 3.86 -0.25 1.53 1.01 0.09 -0.02 121.20 124.79 1ua4 s ILE 33 Ca 0.07 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 1ua4 s ILE 33 Cb -0.01 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1ua4 s ILE 33 CO 0.05 0.43 0.28 -1.81 0.00 0.00 0.00 174.94 173.89 1ua4 s ASP 34 N 0.99 6.20 -0.46 3.58 1.11 0.24 -1.44 116.67 126.89 1ua4 s ASP 34 Ca 0.01 0.22 -0.15 0.00 0.18 0.00 0.00 52.55 52.82 1ua4 s ASP 34 Cb -0.14 -2.17 0.07 0.00 1.07 0.00 0.00 42.92 41.75 1ua4 s ASP 34 CO 0.01 -0.06 0.37 0.00 1.18 0.00 0.00 175.17 176.67 1ua4 s ALA 35 N 1.56 3.52 -0.23 5.23 0.00 0.05 -0.89 121.76 131.00 1ua4 s ALA 35 Ca 0.12 -2.06 -0.15 0.00 0.00 0.00 0.00 51.96 49.87 1ua4 s ALA 35 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1ua4 s ALA 35 CO 0.08 -1.68 0.36 0.42 0.00 0.00 0.00 175.76 174.94 1ua4 s ILE 36 N 1.63 5.20 -0.12 0.00 1.01 0.45 -0.54 121.20 128.83 1ua4 s ILE 36 Ca 0.04 0.60 -0.00 0.00 0.00 0.00 0.00 60.65 61.29 1ua4 s ILE 36 Cb -0.23 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1ua4 s ILE 36 CO 0.07 0.22 -0.12 -0.75 0.00 0.00 0.00 174.94 174.36 1ua4 s LYS 37 N 1.59 3.32 -0.51 2.79 2.20 0.66 0.70 119.74 130.50 1ua4 s LYS 37 Ca 0.16 -0.66 -0.19 0.00 -0.36 0.00 0.00 55.97 54.92 1ua4 s LYS 37 Cb -0.15 -2.64 0.06 0.00 -1.51 0.00 0.00 37.83 33.59 1ua4 s LYS 37 CO 0.08 0.27 0.63 0.71 -0.36 0.00 0.00 175.35 176.69 1ua4 s TYR 38 N 0.22 3.04 0.51 4.03 2.02 -1.26 -1.13 117.35 124.78 1ua4 s TYR 38 Ca -0.08 -0.52 -0.21 0.00 -0.37 0.00 0.00 57.07 55.89 1ua4 s TYR 38 Cb -0.15 -3.56 -0.08 0.00 -0.40 0.00 0.00 41.96 37.77 1ua4 s TYR 38 CO 0.05 -1.04 0.98 1.28 -1.57 0.00 0.00 175.55 175.25 1ua4 n LEU 39 N 6.21 3.08 -4.19 -1.29 4.77 -0.55 -4.98 117.00 120.05 1ua4 n LEU 39 Ca -0.06 0.92 -0.32 0.00 -0.03 0.00 0.00 56.01 56.52 1ua4 n LEU 39 Cb 0.45 -1.37 -0.17 0.00 -2.33 0.00 0.00 43.42 40.01 1ua4 n LEU 39 CO 0.54 -1.67 -0.55 -0.62 -1.33 0.00 0.00 177.39 173.76 1ua4 s ASP 40 N -0.96 3.04 0.11 -1.43 -1.08 -1.26 -4.96 116.67 110.12 1ua4 s ASP 40 Ca 0.69 -0.57 -0.33 0.00 -0.52 0.00 0.00 52.55 51.82 1ua4 s ASP 40 Cb -0.48 -1.40 -0.13 0.00 -1.46 0.00 0.00 42.92 39.45 1ua4 s ASP 40 CO 0.53 0.12 1.53 0.28 0.52 0.00 0.00 175.17 178.14 1ua4 h SER 41 N 7.00 -1.60 -0.67 -0.34 0.02 -1.96 -1.29 113.55 114.71 1ua4 h SER 41 Ca -0.25 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1ua4 h SER 41 Cb 1.22 0.61 -0.03 0.00 0.14 0.00 0.00 62.40 64.33 1ua4 h SER 41 CO 0.51 -0.50 0.35 0.11 -1.14 0.00 0.00 176.83 176.16 1ua4 h LYS 42 N -0.63 0.96 -0.43 3.45 1.79 -1.98 -0.29 116.57 119.44 1ua4 h LYS 42 Ca 0.01 -0.12 -0.02 0.00 -2.18 0.00 0.00 60.65 58.35 1ua4 h LYS 42 Cb 0.69 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1ua4 h LYS 42 CO -0.36 0.73 0.19 0.22 -1.08 0.00 0.00 179.45 179.15 1ua4 h ASP 43 N 0.97 0.57 -0.50 0.86 3.58 -1.95 -1.44 116.42 118.52 1ua4 h ASP 43 Ca 0.24 -0.15 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 1ua4 h ASP 43 Cb 0.06 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 1ua4 h ASP 43 CO -0.04 0.56 -0.10 0.25 -2.88 0.00 0.00 179.24 177.04 1ua4 h LEU 44 N 0.55 0.95 -0.24 2.28 5.85 -0.85 -1.63 115.31 122.22 1ua4 h LEU 44 Ca 0.15 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ua4 h LEU 44 Cb 0.15 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ua4 h LEU 44 CO -0.02 1.08 0.15 -0.33 -0.34 0.00 0.00 178.44 178.99 1ua4 h GLU 45 N 0.80 0.31 -0.73 1.25 5.08 -0.89 0.40 114.58 120.80 1ua4 h GLU 45 Ca 0.13 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1ua4 h GLU 45 Cb 0.65 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1ua4 h GLU 45 CO 0.04 0.20 0.48 0.93 -1.00 0.00 0.00 179.01 179.67 1ua4 h GLU 46 N 0.31 0.95 -0.23 2.33 5.08 -1.15 -2.17 114.58 119.71 1ua4 h GLU 46 Ca 0.09 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1ua4 h GLU 46 Cb -0.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1ua4 h GLU 46 CO -0.02 0.63 -0.24 0.00 -1.00 0.00 0.00 179.01 178.37 1ua4 h ARG 47 N 0.98 0.42 -0.60 2.33 3.08 -0.91 -1.85 114.38 117.84 1ua4 h ARG 47 Ca 0.27 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 1ua4 h ARG 47 Cb -0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1ua4 h ARG 47 CO -0.07 0.64 0.15 0.82 -1.07 0.00 0.00 179.97 180.44 1ua4 h ILE 48 N 0.38 1.25 -0.43 2.04 2.04 -0.38 -0.73 117.51 121.67 1ua4 h ILE 48 Ca 0.06 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 64.91 1ua4 h ILE 48 Cb 0.64 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1ua4 h ILE 48 CO 0.05 0.33 -0.15 0.40 0.00 0.00 0.00 178.15 178.78 1ua4 h ILE 49 N 0.86 1.27 -0.56 -0.67 2.04 -1.16 -1.65 117.51 117.65 1ua4 h ILE 49 Ca 0.19 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1ua4 h ILE 49 Cb 0.34 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1ua4 h ILE 49 CO 0.00 0.44 0.23 0.11 0.00 0.00 0.00 178.15 178.93 1ua4 h LYS 50 N 0.70 0.81 0.00 2.37 1.57 -1.10 -2.77 116.57 118.15 1ua4 h LYS 50 Ca 0.10 -0.12 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1ua4 h LYS 50 Cb 0.71 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1ua4 h LYS 50 CO 0.05 0.66 -0.60 0.00 -0.57 0.00 0.00 179.45 178.98 1ua4 h ALA 51 N 1.46 0.80 0.00 3.86 0.00 -0.92 -3.48 119.26 120.97 1ua4 h ALA 51 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ua4 h ALA 51 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ua4 h ALA 51 CO -0.02 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.40 1ua4 n GLY 52 N 0.64 1.52 0.36 0.00 0.00 -0.66 -4.55 105.19 102.51 1ua4 n GLY 52 Ca -0.00 -0.66 0.05 0.00 0.00 0.00 0.00 46.02 45.41 1ua4 n GLY 52 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ua4 h LYS 53 N 0.00 0.96 -0.71 1.61 3.64 -1.63 -2.16 116.57 118.28 1ua4 h LYS 53 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1ua4 h LYS 53 Cb 0.00 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1ua4 h LYS 53 CO 0.00 0.64 0.39 1.49 -2.27 0.00 0.00 179.45 179.70 1ua4 h GLU 54 N 0.99 0.98 -0.45 1.90 4.81 -1.96 -0.44 114.58 120.41 1ua4 h GLU 54 Ca 0.39 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1ua4 h GLU 54 Cb 0.23 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1ua4 h GLU 54 CO -0.15 0.73 -0.14 0.93 -0.73 0.00 0.00 179.01 179.65 1ua4 h GLU 55 N 0.97 0.89 -0.47 1.92 5.08 -1.84 -1.91 114.58 119.22 1ua4 h GLU 55 Ca 0.25 -0.36 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ua4 h GLU 55 Cb 0.03 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1ua4 h GLU 55 CO -0.04 1.00 0.20 0.28 -1.00 0.00 0.00 179.01 179.46 1ua4 h VAL 56 N 0.73 0.90 -0.68 3.13 2.07 -0.97 -1.62 116.25 119.81 1ua4 h VAL 56 Ca 0.11 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1ua4 h VAL 56 Cb 0.69 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1ua4 h VAL 56 CO 0.05 0.07 0.32 0.40 0.02 0.00 0.00 177.57 178.43 1ua4 h ILE 57 N 0.40 1.23 -0.33 4.57 1.08 -0.95 -1.54 117.51 121.98 1ua4 h ILE 57 Ca 0.22 -0.67 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 1ua4 h ILE 57 Cb 0.18 0.40 -0.06 0.00 -3.07 0.00 0.00 36.82 34.27 1ua4 h ILE 57 CO -0.19 0.27 -0.09 0.50 -0.69 0.00 0.00 178.15 177.95 1ua4 h LYS 58 N 0.96 -0.01 0.00 2.37 3.64 -0.61 -1.38 116.57 121.53 1ua4 h LYS 58 Ca 0.23 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1ua4 h LYS 58 Cb 0.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ua4 h LYS 58 CO -0.03 -0.01 -0.03 1.88 -2.27 0.00 0.00 179.45 178.99 1ua4 h TYR 59 N -0.01 0.00 0.00 1.91 0.05 -1.05 -2.30 116.97 115.57 1ua4 h TYR 59 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1ua4 h TYR 59 Cb 0.26 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.00 1ua4 h TYR 59 CO -0.32 0.03 0.00 -1.13 -1.05 0.00 0.00 178.16 175.70 1ua4 n SER 60 N -3.13 0.60 -0.06 3.88 3.41 -0.57 -2.79 113.62 114.96 1ua4 n SER 60 Ca 0.01 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 59.11 1ua4 n SER 60 Cb 0.39 -0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 63.45 1ua4 n SER 60 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ua4 n GLU 61 N -2.08 0.66 -3.50 4.33 1.02 -0.91 -4.36 120.64 115.79 1ua4 n GLU 61 Ca 0.05 0.14 -0.24 0.00 -0.02 0.00 0.00 57.16 57.09 1ua4 n GLU 61 Cb 0.35 -1.66 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 1ua4 n GLU 61 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ua4 s GLU 62 N -2.55 0.21 0.24 3.49 2.56 -0.94 -5.13 118.70 116.60 1ua4 s GLU 62 Ca -0.07 -0.25 -0.31 0.00 0.00 0.00 0.00 54.97 54.34 1ua4 s GLU 62 Cb 0.07 -1.11 -0.13 0.00 2.00 0.00 0.00 34.13 34.96 1ua4 s GLU 62 CO 0.83 -0.92 1.51 1.28 -0.56 0.00 0.00 175.26 177.40 1ua4 n LEU 63 N 5.28 3.57 -4.83 2.70 4.77 -1.18 -4.43 117.00 122.88 1ua4 n LEU 63 Ca -0.05 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.77 1ua4 n LEU 63 Cb 0.45 -1.49 0.15 0.00 -2.33 0.00 0.00 43.42 40.20 1ua4 n LEU 63 CO 0.04 -0.21 0.77 -2.16 -1.33 0.00 0.00 177.39 174.50 1ua4 s PRO 64 N -0.14 0.95 0.39 3.23 0.04 -1.26 -4.96 135.00 133.25 1ua4 s PRO 64 Ca 0.69 0.02 0.21 0.00 0.04 0.00 0.00 61.00 61.96 1ua4 s PRO 64 Cb -0.59 -1.84 0.35 0.00 0.04 0.00 0.00 34.50 32.45 1ua4 s PRO 64 CO 0.46 -2.27 1.59 -0.44 0.04 0.00 0.00 177.00 176.38 1ua4 h ASP 65 N -1.55 0.00 -5.14 6.66 3.32 -1.95 -3.47 116.42 114.29 1ua4 h ASP 65 Ca -0.47 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.67 1ua4 h ASP 65 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 1ua4 h ASP 65 CO 0.54 0.19 0.35 -1.59 -1.72 0.00 0.00 179.24 177.01 1ua4 s LYS 66 N -3.18 1.68 -0.22 3.56 -2.85 -1.26 -4.66 119.74 112.80 1ua4 s LYS 66 Ca 0.05 -0.99 -0.05 0.00 -1.00 0.00 0.00 55.97 53.98 1ua4 s LYS 66 Cb 0.07 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.35 1ua4 s LYS 66 CO 0.69 -0.77 0.00 0.42 0.10 0.00 0.00 175.35 175.78 1ua4 s ILE 67 N -3.17 3.84 0.00 3.79 1.01 -0.02 -4.93 121.20 121.72 1ua4 s ILE 67 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.45 1ua4 s ILE 67 Cb -0.04 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1ua4 s ILE 67 CO 0.07 0.40 0.09 0.59 0.00 0.00 0.00 174.94 176.09 1ua4 n ASN 68 N 4.62 0.18 -4.13 3.58 3.02 -1.26 -1.49 115.26 119.79 1ua4 n ASN 68 Ca -0.17 -0.55 -0.09 0.00 -0.03 0.00 0.00 54.58 53.74 1ua4 n ASN 68 Cb 0.51 0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 1ua4 n ASN 68 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ua4 s THR 69 N -0.65 0.14 0.22 3.41 -4.23 -1.26 -4.71 115.64 108.56 1ua4 s THR 69 Ca 0.00 -1.87 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 1ua4 s THR 69 Cb 0.00 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1ua4 s THR 69 CO 0.00 -0.63 1.62 0.58 -0.54 0.00 0.00 174.62 175.65 1ua4 h VAL 70 N 2.95 1.28 -0.26 2.29 2.07 -1.96 -1.99 116.25 120.63 1ua4 h VAL 70 Ca -0.35 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1ua4 h VAL 70 Cb 1.18 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1ua4 h VAL 70 CO 0.61 0.47 0.00 0.77 0.02 0.00 0.00 177.57 179.44 1ua4 h SER 71 N 0.56 0.35 -0.02 0.57 4.64 -1.91 -0.61 113.55 117.14 1ua4 h SER 71 Ca 0.07 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.18 1ua4 h SER 71 Cb 0.81 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.80 1ua4 h SER 71 CO 0.07 0.41 -0.48 1.56 -0.87 0.00 0.00 176.83 177.52 1ua4 h GLN 72 N 0.37 0.57 0.10 4.77 4.20 -1.78 -0.78 115.11 122.57 1ua4 h GLN 72 Ca 0.08 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1ua4 h GLN 72 Cb 0.25 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ua4 h GLN 72 CO 0.01 0.93 -0.05 1.25 -0.67 0.00 0.00 178.83 180.29 1ua4 h LEU 73 N 0.46 -0.12 -0.99 1.46 5.85 -0.61 -1.33 115.31 120.03 1ua4 h LEU 73 Ca 0.02 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.36 1ua4 h LEU 73 Cb 1.01 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1ua4 h LEU 73 CO 0.09 0.24 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.03 1ua4 h LEU 74 N -0.49 0.31 -0.74 2.25 3.38 -1.18 -1.48 115.31 117.37 1ua4 h LEU 74 Ca -0.01 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1ua4 h LEU 74 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ua4 h LEU 74 CO 0.02 0.64 -0.47 1.23 0.09 0.00 0.00 178.44 179.95 1ua4 h GLY 75 N 1.10 0.41 1.21 0.83 0.00 -1.13 -0.31 103.07 105.18 1ua4 h GLY 75 Ca 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 1ua4 h GLY 75 CO 0.06 0.39 -0.49 1.76 0.00 0.00 0.00 176.54 178.25 1ua4 h SER 76 N 0.30 0.92 -0.51 0.19 0.02 -0.90 0.62 113.55 114.20 1ua4 h SER 76 Ca 0.02 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1ua4 h SER 76 Cb 0.95 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1ua4 h SER 76 CO 0.08 1.25 0.27 0.40 -1.14 0.00 0.00 176.83 177.70 1ua4 h ILE 77 N 0.66 1.18 0.00 3.27 2.04 -1.06 -2.18 117.51 121.42 1ua4 h ILE 77 Ca 0.03 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1ua4 h ILE 77 Cb 1.09 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1ua4 h ILE 77 CO 0.11 0.19 -0.27 0.25 0.00 0.00 0.00 178.15 178.43 1ua4 h LEU 78 N 0.67 0.00 -0.12 1.44 5.85 -0.79 -1.45 115.31 120.91 1ua4 h LEU 78 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1ua4 h LEU 78 Cb 0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ua4 h LEU 78 CO -0.03 0.27 0.08 -0.25 -0.34 0.00 0.00 178.44 178.17 1ua4 h TRP 79 N 0.00 0.16 -0.62 1.25 7.01 -0.26 0.18 115.95 123.68 1ua4 h TRP 79 Ca -0.00 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.93 1ua4 h TRP 79 Cb 0.50 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.48 1ua4 h TRP 79 CO 0.00 0.13 0.13 0.77 -2.79 0.00 0.00 178.44 176.67 1ua4 h SER 80 N 0.15 0.97 0.03 2.65 0.02 -1.04 -2.74 113.55 113.58 1ua4 h SER 80 Ca 0.04 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1ua4 h SER 80 Cb 0.01 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1ua4 h SER 80 CO -0.01 0.96 -0.01 0.40 -1.14 0.00 0.00 176.83 177.03 1ua4 h ILE 81 N 0.92 0.98 -0.92 3.27 2.04 -0.96 0.57 117.51 123.41 1ua4 h ILE 81 Ca 0.19 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 66.02 1ua4 h ILE 81 Cb 0.39 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1ua4 h ILE 81 CO 0.01 0.01 0.61 0.03 0.00 0.00 0.00 178.15 178.81 1ua4 h ARG 82 N -0.06 1.21 0.00 2.37 3.08 -0.92 -2.91 114.38 117.14 1ua4 h ARG 82 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ua4 h ARG 82 Cb 0.05 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1ua4 h ARG 82 CO 0.01 0.80 -0.94 0.54 -1.07 0.00 0.00 179.97 179.31 1ua4 n ARG 83 N -4.40 0.14 -3.23 0.04 1.74 -1.04 -4.54 116.66 105.37 1ua4 n ARG 83 Ca 0.11 -0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.96 1ua4 n ARG 83 Cb 0.03 -1.54 0.05 0.00 -1.02 0.00 0.00 32.46 29.98 1ua4 n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ua4 n GLY 84 N 1.44 -0.43 3.25 -0.13 0.00 0.19 -4.76 105.19 104.74 1ua4 n GLY 84 Ca 0.03 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1ua4 n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ua4 s LYS 85 N -5.91 1.09 0.27 1.61 -0.14 -0.88 -4.60 119.74 111.19 1ua4 s LYS 85 Ca 0.41 -1.07 -0.26 0.00 -1.36 0.00 0.00 55.97 53.69 1ua4 s LYS 85 Cb -0.18 -1.27 -0.09 0.00 -1.68 0.00 0.00 37.83 34.61 1ua4 s LYS 85 CO 0.50 0.30 0.89 0.00 -0.76 0.00 0.00 175.35 176.28 1ua4 s ALA 86 N -1.12 3.31 0.11 5.17 0.00 -1.26 -4.41 121.76 123.55 1ua4 s ALA 86 Ca 0.05 0.47 -0.14 0.00 0.00 0.00 0.00 51.96 52.33 1ua4 s ALA 86 Cb -0.10 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 19.95 1ua4 s ALA 86 CO 0.03 0.22 0.35 0.00 0.00 0.00 0.00 175.76 176.36 1ua4 s ALA 87 N -1.43 -0.76 -0.14 0.00 0.00 -1.23 -4.94 121.76 113.25 1ua4 s ALA 87 Ca 0.45 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.17 1ua4 s ALA 87 Cb -0.21 0.60 0.05 0.00 0.00 0.00 0.00 23.12 23.56 1ua4 s ALA 87 CO 0.26 -0.59 0.35 -2.00 0.00 0.00 0.00 175.76 173.79 1ua4 s GLU 88 N -3.65 0.35 0.08 0.00 2.12 -1.26 -1.40 118.70 114.95 1ua4 s GLU 88 Ca 0.02 0.64 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1ua4 s GLU 88 Cb 0.02 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.39 1ua4 s GLU 88 CO -0.11 -0.13 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.90 1ua4 s LEU 89 N 1.04 2.42 -0.06 2.70 1.43 -0.37 -4.83 118.68 121.00 1ua4 s LEU 89 Ca -0.07 -0.84 -0.27 0.00 -1.03 0.00 0.00 54.13 51.92 1ua4 s LEU 89 Cb -0.07 -0.14 -0.03 0.00 0.03 0.00 0.00 46.19 45.98 1ua4 s LEU 89 CO -0.08 -0.35 0.89 0.12 0.23 0.00 0.00 176.35 177.15 1ua4 s PHE 90 N -2.76 3.57 -0.73 0.29 5.36 -1.26 -1.40 117.98 121.05 1ua4 s PHE 90 Ca 0.04 1.49 -0.20 0.00 -0.96 0.00 0.00 56.93 57.30 1ua4 s PHE 90 Cb -0.01 -3.03 0.11 0.00 -0.34 0.00 0.00 43.02 39.75 1ua4 s PHE 90 CO -0.02 -0.06 0.92 0.08 -1.46 0.00 0.00 175.22 174.68 1ua4 s VAL 91 N 1.32 4.68 0.16 3.12 1.01 0.00 -0.84 120.40 129.85 1ua4 s VAL 91 Ca 0.45 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.45 1ua4 s VAL 91 Cb -0.19 -4.64 -0.13 0.00 0.00 0.00 0.00 36.38 31.42 1ua4 s VAL 91 CO 0.21 -1.35 1.41 -0.08 0.00 0.00 0.00 175.10 175.30 1ua4 h GLU 92 N 9.11 0.00 -6.32 2.72 4.81 -1.56 -3.45 114.58 119.89 1ua4 h GLU 92 Ca -0.13 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.55 1ua4 h GLU 92 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1ua4 h GLU 92 CO 1.11 0.83 0.59 0.45 -0.73 0.00 0.00 179.01 181.26 1ua4 s SER 93 N -6.74 7.16 0.15 1.04 0.15 -1.20 -4.95 113.70 109.32 1ua4 s SER 93 Ca 0.00 1.72 -0.12 0.00 0.70 0.00 0.00 55.95 58.25 1ua4 s SER 93 Cb 0.11 -2.56 0.02 0.00 -1.71 0.00 0.00 66.02 61.88 1ua4 s SER 93 CO 0.79 -0.48 1.60 0.00 1.20 0.00 0.00 173.24 176.35 1ua4 h PRO 95 N 0.76 0.80 -0.32 0.00 0.11 -1.95 -0.57 132.00 130.83 1ua4 h PRO 95 Ca 0.14 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.02 1ua4 h PRO 95 Cb 0.53 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1ua4 h PRO 95 CO 0.03 0.53 -0.50 0.28 -0.21 0.00 0.00 178.00 178.13 1ua4 h VAL 96 N 0.82 1.27 -0.69 3.15 2.07 -1.83 -0.89 116.25 120.16 1ua4 h VAL 96 Ca 0.31 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 1ua4 h VAL 96 Cb 0.18 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1ua4 h VAL 96 CO -0.10 0.55 0.31 0.03 0.02 0.00 0.00 177.57 178.38 1ua4 h ARG 97 N 0.71 0.98 -0.65 1.57 3.08 -0.67 0.25 114.38 119.65 1ua4 h ARG 97 Ca 0.03 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1ua4 h ARG 97 Cb 1.10 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1ua4 h ARG 97 CO 0.11 0.77 0.22 0.35 -1.07 0.00 0.00 179.97 180.36 1ua4 h PHE 98 N 0.97 1.02 -0.79 3.04 3.57 -0.90 -0.09 116.94 123.77 1ua4 h PHE 98 Ca 0.24 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ua4 h PHE 98 Cb 0.13 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1ua4 h PHE 98 CO 0.01 0.82 0.45 -0.92 -2.23 0.00 0.00 178.31 176.44 1ua4 h TYR 99 N 0.93 1.08 -0.51 0.41 5.03 -0.29 -2.07 116.97 121.55 1ua4 h TYR 99 Ca 0.21 -0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.39 1ua4 h TYR 99 Cb 0.26 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.18 1ua4 h TYR 99 CO 0.02 0.75 -0.11 0.52 -1.32 0.00 0.00 178.16 178.01 1ua4 h MET 100 N 1.10 0.95 -0.61 1.82 2.86 -0.38 -1.00 114.93 119.68 1ua4 h MET 100 Ca 0.28 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1ua4 h MET 100 Cb 0.01 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1ua4 h MET 100 CO -0.05 1.01 0.32 -0.22 1.06 0.00 0.00 176.91 179.03 1ua4 h LYS 101 N 0.85 0.86 -0.15 1.72 3.64 -0.71 -1.92 116.57 120.86 1ua4 h LYS 101 Ca 0.13 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 1ua4 h LYS 101 Cb 0.66 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1ua4 h LYS 101 CO 0.05 0.67 -0.47 0.00 -2.27 0.00 0.00 179.45 177.42 1ua4 h ARG 102 N 0.82 0.37 -0.32 1.90 3.08 -1.20 -2.71 114.38 116.33 1ua4 h ARG 102 Ca 0.21 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 1ua4 h ARG 102 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1ua4 h ARG 102 CO -0.03 0.77 0.06 2.35 -1.07 0.00 0.00 179.97 182.05 1ua4 h TRP 103 N 0.30 0.47 0.00 3.04 7.01 -0.76 -3.48 115.95 122.53 1ua4 h TRP 103 Ca 0.02 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.99 1ua4 h TRP 103 Cb 0.95 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.86 1ua4 h TRP 103 CO 0.03 0.43 0.00 0.41 -2.79 0.00 0.00 178.44 176.51 1ua4 n GLY 104 N -1.09 -1.68 3.82 2.65 0.00 -0.76 -5.06 105.19 103.08 1ua4 n GLY 104 Ca 0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1ua4 n GLY 104 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1ua4 s TRP 105 N 0.00 -0.02 -0.16 1.61 -2.14 -1.26 -4.76 118.94 112.21 1ua4 s TRP 105 Ca 0.00 -0.45 0.12 0.00 2.66 0.00 0.00 56.10 58.43 1ua4 s TRP 105 Cb 0.00 0.72 -0.18 0.00 -3.10 0.00 0.00 33.47 30.91 1ua4 s TRP 105 CO 0.00 -1.13 0.02 0.09 -2.66 0.00 0.00 176.95 173.27 1ua4 n ASN 106 N -0.94 1.39 -3.62 -2.66 4.13 0.22 -4.92 115.26 108.87 1ua4 n ASN 106 Ca -0.05 -0.02 -0.14 0.00 1.68 0.00 0.00 54.58 56.05 1ua4 n ASN 106 Cb 0.60 0.68 -0.06 0.00 -1.54 0.00 0.00 39.78 39.46 1ua4 n ASN 106 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1ua4 s GLU 107 N -2.38 0.97 -0.15 3.52 -1.05 -0.94 -5.01 118.70 113.66 1ua4 s GLU 107 Ca -0.11 -0.24 -0.03 0.00 -0.15 0.00 0.00 54.97 54.44 1ua4 s GLU 107 Cb 0.05 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1ua4 s GLU 107 CO 0.60 -0.34 -0.06 -0.51 0.95 0.00 0.00 175.26 175.91 1ua4 s LEU 108 N -1.88 3.11 0.23 1.83 1.43 -1.26 -0.41 118.68 121.72 1ua4 s LEU 108 Ca -0.06 -0.19 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1ua4 s LEU 108 Cb -0.01 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.42 1ua4 s LEU 108 CO -0.01 0.16 0.08 -0.13 0.23 0.00 0.00 176.35 176.68 1ua4 s ARG 109 N 0.42 1.30 0.33 1.70 0.52 -0.06 -4.97 118.95 118.19 1ua4 s ARG 109 Ca -0.05 -1.68 -0.29 0.00 -0.52 0.00 0.00 55.73 53.19 1ua4 s ARG 109 Cb -0.15 -0.19 -0.10 0.00 0.52 0.00 0.00 34.95 35.03 1ua4 s ARG 109 CO 0.03 -0.26 1.37 1.41 0.02 0.00 0.00 175.30 177.87 1ua4 s MET 110 N -4.02 4.28 0.28 3.54 -2.45 -1.26 -0.60 119.30 119.08 1ua4 s MET 110 Ca 0.34 2.31 0.02 0.00 -1.25 0.00 0.00 55.69 57.12 1ua4 s MET 110 Cb 0.07 -3.05 -0.06 0.00 1.25 0.00 0.00 34.83 33.05 1ua4 s MET 110 CO 0.11 -0.30 0.07 0.20 1.05 0.00 0.00 175.02 176.15 1ua4 s GLY 111 N -0.31 1.84 0.00 2.11 0.00 0.97 -4.57 107.32 107.36 1ua4 s GLY 111 Ca 0.51 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1ua4 s GLY 111 CO 0.54 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 172.57 1ua4 n GLY 112 N -0.54 0.15 0.24 0.20 0.00 -1.26 -1.21 105.19 102.76 1ua4 n GLY 112 Ca -0.01 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 1ua4 n GLY 112 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ua4 h GLN 113 N 0.00 -0.33 -0.36 1.61 7.50 -1.93 0.01 115.11 121.61 1ua4 h GLN 113 Ca 0.00 0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 1ua4 h GLN 113 Cb 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 1ua4 h GLN 113 CO 0.00 -0.22 0.19 0.00 -1.50 0.00 0.00 178.83 177.30 1ua4 h ALA 114 N 0.51 0.46 -0.14 3.87 0.00 -1.55 -1.38 119.26 121.03 1ua4 h ALA 114 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ua4 h ALA 114 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ua4 h ALA 114 CO -0.15 -0.01 0.06 0.78 0.00 0.00 0.00 179.25 179.94 1ua4 h GLY 115 N 0.45 0.22 0.98 0.00 0.00 -1.46 -0.22 103.07 103.04 1ua4 h GLY 115 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1ua4 h GLY 115 CO -0.02 0.11 0.09 -2.22 0.00 0.00 0.00 176.54 174.50 1ua4 h ILE 116 N 0.08 1.25 -0.19 2.60 2.04 -0.98 -2.31 117.51 120.00 1ua4 h ILE 116 Ca 0.05 -0.90 -0.09 0.00 1.00 0.00 0.00 64.86 64.91 1ua4 h ILE 116 Cb 0.14 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1ua4 h ILE 116 CO -0.01 0.32 -0.28 0.24 0.00 0.00 0.00 178.15 178.42 1ua4 h MET 117 N 0.67 0.37 -0.26 2.37 2.86 -1.20 -2.27 114.93 117.47 1ua4 h MET 117 Ca 0.15 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1ua4 h MET 117 Cb 0.38 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1ua4 h MET 117 CO 0.01 0.63 0.09 0.00 1.06 0.00 0.00 176.91 178.69 1ua4 h ALA 118 N 1.38 0.34 -0.65 6.32 0.00 -0.80 0.30 119.26 126.15 1ua4 h ALA 118 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1ua4 h ALA 118 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1ua4 h ALA 118 CO 0.05 -0.05 0.31 -0.91 0.00 0.00 0.00 179.25 178.66 1ua4 h ASN 119 N 0.26 0.83 0.36 0.00 2.35 -1.24 -0.46 115.58 117.69 1ua4 h ASN 119 Ca 0.08 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1ua4 h ASN 119 Cb 0.21 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ua4 h ASN 119 CO -0.00 0.71 -0.17 0.25 -1.65 0.00 0.00 177.43 176.56 1ua4 h LEU 120 N 0.92 -0.41 0.16 1.61 5.85 -1.16 -0.84 115.31 121.44 1ua4 h LEU 120 Ca 0.23 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ua4 h LEU 120 Cb 0.10 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1ua4 h LEU 120 CO -0.03 0.04 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.96 1ua4 h LEU 121 N -1.09 -0.19 0.00 2.25 3.38 -0.97 -0.12 115.31 118.57 1ua4 h LEU 121 Ca -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ua4 h LEU 121 Cb 0.43 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ua4 h LEU 121 CO 0.08 -0.09 -0.12 1.23 0.09 0.00 0.00 178.44 179.63 1ua4 h GLY 122 N -0.27 0.00 1.73 0.83 0.00 -0.99 0.85 103.07 105.22 1ua4 h GLY 122 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 1ua4 h GLY 122 CO 0.04 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 174.86 1ua4 h GLY 123 N -1.00 0.33 0.00 4.60 0.00 -1.13 -2.94 103.07 102.93 1ua4 h GLY 123 Ca -0.03 -0.31 -0.32 0.00 0.00 0.00 0.00 47.33 46.67 1ua4 h GLY 123 CO -0.02 0.28 -2.06 -0.62 0.00 0.00 0.00 176.54 174.12 1ua4 n VAL 124 N -4.05 1.04 0.41 4.60 0.31 -0.55 -4.66 118.33 115.44 1ua4 n VAL 124 Ca -0.01 -0.27 0.13 0.00 -0.01 0.00 0.00 64.34 64.18 1ua4 n VAL 124 Cb 0.47 -1.76 0.36 0.00 -0.91 0.00 0.00 33.84 32.00 1ua4 n VAL 124 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1ua4 h TYR 125 N -0.68 0.00 -0.02 3.52 0.05 -0.85 -3.41 116.97 115.58 1ua4 h TYR 125 Ca -0.48 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1ua4 h TYR 125 Cb 1.42 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.16 1ua4 h TYR 125 CO -0.06 0.00 -0.01 0.41 -1.05 0.00 0.00 178.16 177.45 1ua4 n GLY 126 N 0.95 0.45 3.66 3.88 0.00 -0.60 -4.50 105.19 109.03 1ua4 n GLY 126 Ca 0.04 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1ua4 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ua4 s VAL 127 N -2.00 5.04 0.27 1.61 1.01 0.19 -4.92 120.40 121.60 1ua4 s VAL 127 Ca 0.00 1.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.81 1ua4 s VAL 127 Cb 0.00 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.34 1ua4 s VAL 127 CO 0.00 0.12 1.56 -2.65 0.00 0.00 0.00 175.10 174.13 1ua4 n PRO 128 N 5.00 2.53 -4.03 2.72 -0.02 -1.26 -3.05 135.00 136.89 1ua4 n PRO 128 Ca -0.02 0.90 -0.12 0.00 -2.02 0.00 0.00 63.50 62.24 1ua4 n PRO 128 Cb 0.50 -2.66 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 1ua4 n PRO 128 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ua4 s VAL 129 N 0.07 0.33 -0.20 -1.45 -7.23 -0.33 -1.32 120.40 110.27 1ua4 s VAL 129 Ca 0.66 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 60.00 1ua4 s VAL 129 Cb -0.54 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.00 1ua4 s VAL 129 CO 0.48 -0.32 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.19 1ua4 s ILE 130 N -1.11 2.71 -0.01 -0.62 1.01 -0.60 -0.59 121.20 121.98 1ua4 s ILE 130 Ca -0.09 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1ua4 s ILE 130 Cb -0.08 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1ua4 s ILE 130 CO -0.00 0.48 -0.26 0.54 0.00 0.00 0.00 174.94 175.70 1ua4 s VAL 131 N 1.37 2.08 -0.17 2.92 0.11 -0.28 -0.19 120.40 126.24 1ua4 s VAL 131 Ca 0.05 -1.14 -0.20 0.00 -2.93 0.00 0.00 61.98 57.76 1ua4 s VAL 131 Cb -0.14 -1.73 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 1ua4 s VAL 131 CO -0.08 0.55 0.60 -2.28 -3.33 0.00 0.00 175.10 170.57 1ua4 s HIS 132 N -0.64 3.42 -0.24 1.54 2.46 0.03 -4.60 115.29 117.27 1ua4 s HIS 132 Ca 0.10 0.94 0.01 0.00 0.47 0.00 0.00 55.06 56.58 1ua4 s HIS 132 Cb -0.10 -2.75 0.06 0.00 -0.13 0.00 0.00 32.58 29.66 1ua4 s HIS 132 CO -0.01 -0.09 -0.05 0.08 -2.47 0.00 0.00 174.74 172.20 1ua4 s VAL 133 N 1.57 1.62 0.18 0.89 1.01 -1.26 -4.36 120.40 120.04 1ua4 s VAL 133 Ca 0.29 -1.32 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1ua4 s VAL 133 Cb -0.16 -1.88 0.12 0.00 0.00 0.00 0.00 36.38 34.46 1ua4 s VAL 133 CO 0.11 -0.13 1.65 -0.65 0.00 0.00 0.00 175.10 176.09 1ua4 h PRO 134 N 7.92 -0.02 -3.51 2.72 0.11 -1.81 -3.39 132.00 134.03 1ua4 h PRO 134 Ca -0.17 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.40 1ua4 h PRO 134 Cb 1.06 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.78 1ua4 h PRO 134 CO 0.42 -0.01 -0.76 -0.65 -0.21 0.00 0.00 178.00 176.79 1ua4 s GLN 135 N -6.21 0.66 -1.25 1.05 -1.52 -1.26 -4.89 119.66 106.23 1ua4 s GLN 135 Ca -0.14 -0.59 -0.13 0.00 -1.95 0.00 0.00 55.36 52.56 1ua4 s GLN 135 Cb 0.15 -2.03 0.16 0.00 -0.22 0.00 0.00 33.01 31.08 1ua4 s GLN 135 CO 0.71 -0.74 1.62 1.28 -0.25 0.00 0.00 175.29 177.91 1ua4 n LEU 136 N 5.01 5.68 -4.87 2.90 4.77 -1.26 -4.72 117.00 124.51 1ua4 n LEU 136 Ca -0.07 -4.46 -0.30 0.00 -0.03 0.00 0.00 56.01 51.15 1ua4 n LEU 136 Cb 0.46 -1.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.03 1ua4 n LEU 136 CO 0.12 0.89 0.76 -0.94 -1.33 0.00 0.00 177.39 176.89 1ua4 s SER 137 N 2.36 4.80 0.16 -1.43 1.04 -1.25 -1.97 113.70 117.40 1ua4 s SER 137 Ca 0.43 1.02 -0.16 0.00 0.48 0.00 0.00 55.95 57.72 1ua4 s SER 137 Cb 0.02 -1.68 0.04 0.00 0.10 0.00 0.00 66.02 64.50 1ua4 s SER 137 CO 0.01 -1.74 1.80 0.03 0.98 0.00 0.00 173.24 174.31 1ua4 h ARG 138 N -0.94 0.46 -0.70 4.02 2.47 -1.85 -0.52 114.38 117.32 1ua4 h ARG 138 Ca -0.46 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1ua4 h ARG 138 Cb 1.29 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.47 1ua4 h ARG 138 CO 0.64 0.31 0.43 1.25 0.56 0.00 0.00 179.97 183.15 1ua4 h LEU 139 N 0.48 0.83 0.05 3.04 5.85 -1.95 -1.66 115.31 121.94 1ua4 h LEU 139 Ca 0.16 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ua4 h LEU 139 Cb 0.01 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1ua4 h LEU 139 CO -0.07 0.64 -0.02 -0.61 -0.34 0.00 0.00 178.44 178.03 1ua4 h GLN 140 N 0.95 -0.06 -0.92 1.25 5.75 -1.79 -2.78 115.11 117.51 1ua4 h GLN 140 Ca 0.25 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 1ua4 h GLN 140 Cb -0.05 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.47 1ua4 h GLN 140 CO -0.05 0.02 0.61 0.00 -2.65 0.00 0.00 178.83 176.76 1ua4 h ALA 141 N 0.82 1.19 -0.00 3.38 0.00 -0.94 -2.41 119.26 121.30 1ua4 h ALA 141 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ua4 h ALA 141 Cb 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ua4 h ALA 141 CO 0.01 0.52 0.00 0.09 0.00 0.00 0.00 179.25 179.88 1ua4 n ASN 142 N -4.47 0.10 -0.16 0.00 3.02 -0.64 -2.41 115.26 110.70 1ua4 n ASN 142 Ca 0.11 -1.16 0.13 0.00 -0.03 0.00 0.00 54.58 53.62 1ua4 n ASN 142 Cb 0.05 -0.00 0.34 0.00 -0.61 0.00 0.00 39.78 39.56 1ua4 n ASN 142 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ua4 n LEU 143 N -0.86 0.84 -4.74 3.41 4.77 -0.91 -4.82 117.00 114.69 1ua4 n LEU 143 Ca 0.21 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.61 1ua4 n LEU 143 Cb 0.11 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1ua4 n LEU 143 CO 0.16 0.17 0.52 -0.36 -1.33 0.00 0.00 177.39 176.55 1ua4 s PHE 144 N -2.66 3.76 0.73 -1.77 0.08 -1.01 -4.67 117.98 112.45 1ua4 s PHE 144 Ca 0.20 1.57 -0.11 0.00 0.12 0.00 0.00 56.93 58.71 1ua4 s PHE 144 Cb 0.19 -2.89 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 1ua4 s PHE 144 CO 0.58 0.26 1.08 -0.51 -0.10 0.00 0.00 175.22 176.53 1ua4 s LEU 145 N -0.06 3.11 0.38 -0.37 1.43 -1.26 -5.00 118.68 116.90 1ua4 s LEU 145 Ca 0.41 1.78 -0.24 0.00 -1.03 0.00 0.00 54.13 55.04 1ua4 s LEU 145 Cb -0.21 -4.52 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 1ua4 s LEU 145 CO 0.25 -1.81 1.02 -1.81 0.23 0.00 0.00 176.35 174.24 1ua4 s ASP 146 N -3.41 6.91 0.00 2.29 1.01 -1.26 -4.84 116.67 117.37 1ua4 s ASP 146 Ca 0.61 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.85 1ua4 s ASP 146 Cb -0.16 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.18 1ua4 s ASP 146 CO 0.54 -0.38 0.00 0.61 0.21 0.00 0.00 175.17 176.14 1ua4 n GLY 147 N 0.36 0.42 2.53 0.21 0.00 -1.26 -4.65 105.19 102.81 1ua4 n GLY 147 Ca 0.04 -1.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.10 1ua4 n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ua4 n PRO 148 N -0.31 1.89 -4.35 1.61 -0.04 -1.26 -4.83 135.00 127.71 1ua4 n PRO 148 Ca 0.00 -1.27 -0.34 0.00 -0.04 0.00 0.00 63.50 61.85 1ua4 n PRO 148 Cb 0.00 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.02 1ua4 n PRO 148 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1ua4 s ILE 149 N 3.10 3.87 0.07 0.52 1.01 -1.26 -1.19 121.20 127.32 1ua4 s ILE 149 Ca 0.39 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1ua4 s ILE 149 Cb 0.12 -2.70 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1ua4 s ILE 149 CO -0.03 0.48 -0.12 -0.31 0.00 0.00 0.00 174.94 174.97 1ua4 s TYR 150 N 0.49 1.05 0.02 3.97 2.02 0.24 -4.00 117.35 121.13 1ua4 s TYR 150 Ca -0.03 -0.51 0.05 0.00 -0.37 0.00 0.00 57.07 56.21 1ua4 s TYR 150 Cb -0.14 -0.59 -0.02 0.00 -0.40 0.00 0.00 41.96 40.81 1ua4 s TYR 150 CO 0.03 0.01 -0.16 0.14 -1.57 0.00 0.00 175.55 174.00 1ua4 s VAL 151 N -1.56 1.28 0.24 0.71 -7.23 0.27 -1.13 120.40 112.99 1ua4 s VAL 151 Ca -0.02 -0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 59.01 1ua4 s VAL 151 Cb -0.08 -1.11 -0.09 0.00 0.56 0.00 0.00 36.38 35.66 1ua4 s VAL 151 CO 0.01 0.19 0.82 -2.16 -0.31 0.00 0.00 175.10 173.66 1ua4 s PRO 152 N -0.82 4.48 0.22 4.82 0.04 -1.26 -2.17 135.00 140.31 1ua4 s PRO 152 Ca 0.05 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1ua4 s PRO 152 Cb -0.07 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 1ua4 s PRO 152 CO 0.01 0.41 0.14 0.95 0.04 0.00 0.00 177.00 178.55 1ua4 s THR 153 N -1.44 0.04 -0.09 1.26 -4.23 -0.65 -4.93 115.64 105.60 1ua4 s THR 153 Ca 0.43 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.95 1ua4 s THR 153 Cb -0.19 -2.51 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1ua4 s THR 153 CO 0.24 0.00 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.00 1ua4 s LEU 154 N -3.20 1.40 -0.19 4.79 0.20 -1.26 -1.03 118.68 119.39 1ua4 s LEU 154 Ca 0.39 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.91 1ua4 s LEU 154 Cb 0.07 -0.85 0.04 0.00 -0.43 0.00 0.00 46.19 45.02 1ua4 s LEU 154 CO 0.14 -0.05 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.43 1ua4 s GLU 155 N 1.27 2.05 -1.04 1.98 2.02 -1.07 -4.89 118.70 119.02 1ua4 s GLU 155 Ca -0.03 -0.79 -0.18 0.00 0.02 0.00 0.00 54.97 53.99 1ua4 s GLU 155 Cb -0.14 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.74 1ua4 s GLU 155 CO -0.04 -0.40 0.71 0.09 0.02 0.00 0.00 175.26 175.65 1ua4 n ASN 156 N 4.70 -5.19 0.00 -0.19 3.02 -1.26 -1.95 115.26 114.39 1ua4 n ASN 156 Ca -0.15 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.42 1ua4 n ASN 156 Cb 0.47 -2.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.89 1ua4 n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ua4 n GLY 157 N -1.79 0.29 3.34 7.41 0.00 -1.26 -4.95 105.19 108.24 1ua4 n GLY 157 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1ua4 n GLY 157 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ua4 s GLU 158 N -0.65 1.46 0.13 1.61 2.02 -0.82 -5.11 118.70 117.34 1ua4 s GLU 158 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1ua4 s GLU 158 Cb 0.00 -1.79 -0.06 0.00 0.10 0.00 0.00 34.13 32.38 1ua4 s GLU 158 CO 0.00 0.44 1.08 0.08 0.02 0.00 0.00 175.26 176.88 1ua4 s VAL 159 N -0.97 4.11 -0.16 2.63 1.01 -1.26 -2.60 120.40 123.15 1ua4 s VAL 159 Ca 0.11 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1ua4 s VAL 159 Cb -0.10 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ua4 s VAL 159 CO 0.04 0.24 -0.15 -0.75 0.00 0.00 0.00 175.10 174.48 1ua4 s LYS 160 N 0.10 2.45 -0.14 2.72 2.47 -0.20 -4.96 119.74 122.18 1ua4 s LYS 160 Ca 0.51 -0.63 -0.20 0.00 -1.56 0.00 0.00 55.97 54.09 1ua4 s LYS 160 Cb -0.27 -2.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.84 1ua4 s LYS 160 CO 0.32 -0.24 0.56 -0.51 0.16 0.00 0.00 175.35 175.64 1ua4 s LEU 161 N 1.44 4.23 0.09 5.43 1.43 -1.26 -1.63 118.68 128.40 1ua4 s LEU 161 Ca 0.05 0.86 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 1ua4 s LEU 161 Cb -0.13 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1ua4 s LEU 161 CO -0.11 -0.11 -0.05 0.27 0.23 0.00 0.00 176.35 176.57 1ua4 s ILE 162 N 1.12 0.58 0.43 -0.59 -4.36 -0.92 -4.93 121.20 112.53 1ua4 s ILE 162 Ca 0.28 -1.91 -0.23 0.00 -0.26 0.00 0.00 60.65 58.53 1ua4 s ILE 162 Cb -0.16 -1.67 -0.08 0.00 1.25 0.00 0.00 42.46 41.81 1ua4 s ILE 162 CO 0.12 -0.88 1.12 -2.28 0.24 0.00 0.00 174.94 173.26 1ua4 s HIS 163 N -3.70 3.03 0.36 1.37 5.65 -1.26 -0.56 115.29 120.18 1ua4 s HIS 163 Ca 0.11 1.57 0.15 0.00 0.25 0.00 0.00 55.06 57.15 1ua4 s HIS 163 Cb 0.06 -3.29 1.02 0.00 -1.18 0.00 0.00 32.58 29.19 1ua4 s HIS 163 CO -0.06 -1.18 1.74 -1.35 -0.65 0.00 0.00 174.74 173.24 1ua4 h PRO 164 N 2.25 0.44 0.00 2.88 0.11 -1.88 0.22 132.00 136.02 1ua4 h PRO 164 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ua4 h PRO 164 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ua4 h PRO 164 CO 0.61 0.29 -0.01 0.87 -0.21 0.00 0.00 178.00 179.55 1ua4 h LYS 165 N 0.45 0.00 0.00 1.05 1.57 -1.91 -1.90 116.57 115.83 1ua4 h LYS 165 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1ua4 h LYS 165 Cb 1.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1ua4 h LYS 165 CO -0.41 0.01 -0.33 0.39 -0.57 0.00 0.00 179.45 178.55 1ua4 n GLU 166 N -3.17 0.07 -1.70 3.15 1.02 0.77 -4.89 120.64 115.89 1ua4 n GLU 166 Ca -0.02 0.03 -0.44 0.00 -0.02 0.00 0.00 57.16 56.71 1ua4 n GLU 166 Cb 0.14 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 1ua4 n GLU 166 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ua4 n PHE 167 N -1.66 2.46 0.25 -0.32 7.35 -0.72 -4.89 117.46 119.94 1ua4 n PHE 167 Ca 0.06 0.31 0.12 0.00 -0.76 0.00 0.00 57.45 57.18 1ua4 n PHE 167 Cb 0.36 -2.54 0.18 0.00 0.35 0.00 0.00 39.48 37.83 1ua4 n PHE 167 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1ua4 h SER 168 N 4.91 0.00 -3.31 -2.13 0.02 -1.90 -3.47 113.55 107.68 1ua4 h SER 168 Ca -0.45 -0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.25 1ua4 h SER 168 Cb 1.25 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.88 1ua4 h SER 168 CO 0.81 0.00 0.21 0.61 -1.14 0.00 0.00 176.83 177.32 1ua4 n GLY 169 N 1.13 -1.00 2.80 -3.77 0.00 -1.26 -5.07 105.19 98.01 1ua4 n GLY 169 Ca 0.04 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1ua4 n GLY 169 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ua4 s ASP 170 N -3.70 -0.79 0.46 1.61 2.15 -1.26 -4.75 116.67 110.40 1ua4 s ASP 170 Ca 0.42 -1.73 0.00 0.00 0.43 0.00 0.00 52.55 51.67 1ua4 s ASP 170 Cb -0.01 1.44 0.00 0.00 -0.30 0.00 0.00 42.92 44.04 1ua4 s ASP 170 CO 0.29 -0.11 0.00 -0.62 -0.17 0.00 0.00 175.17 174.56 1ua4 n GLU 171 N 3.35 0.63 -2.62 4.34 1.02 -0.83 -4.85 120.64 121.68 1ua4 n GLU 171 Ca 0.18 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1ua4 n GLU 171 Cb 0.54 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.91 1ua4 n GLU 171 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1ua4 s GLU 172 N -1.34 4.11 -0.18 3.49 0.41 -1.26 -3.90 118.70 120.03 1ua4 s GLU 172 Ca 0.00 1.38 -0.28 0.00 -0.41 0.00 0.00 54.97 55.66 1ua4 s GLU 172 Cb 0.00 -2.37 -0.00 0.00 -1.78 0.00 0.00 34.13 29.98 1ua4 s GLU 172 CO 0.00 -0.17 0.98 -0.80 -0.49 0.00 0.00 175.26 174.78 1ua4 s ASN 173 N -1.80 7.11 -0.37 -0.19 0.01 -1.26 -4.14 114.94 114.30 1ua4 s ASN 173 Ca 0.61 1.37 -0.10 0.00 -0.71 0.00 0.00 52.86 54.03 1ua4 s ASN 173 Cb -0.18 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 38.99 1ua4 s ASN 173 CO 0.22 -0.53 0.18 0.00 -1.51 0.00 0.00 177.10 175.46 1ua4 s ILE 175 N 1.52 4.94 -0.06 0.00 -1.09 -1.26 -0.73 121.20 124.52 1ua4 s ILE 175 Ca 0.01 0.00 0.04 0.00 -2.23 0.00 0.00 60.65 58.47 1ua4 s ILE 175 Cb -0.19 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1ua4 s ILE 175 CO 0.06 0.57 -0.17 -1.00 -1.23 0.00 0.00 174.94 173.17 1ua4 s HIS 176 N -0.62 1.81 -0.18 3.97 3.76 -0.52 -1.79 115.29 121.72 1ua4 s HIS 176 Ca 0.11 -0.62 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 1ua4 s HIS 176 Cb -0.12 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 32.28 1ua4 s HIS 176 CO 0.02 -0.25 0.27 0.71 -0.85 0.00 0.00 174.74 174.64 1ua4 s TYR 177 N 0.30 3.43 -0.24 1.40 1.51 -0.31 -0.77 117.35 122.67 1ua4 s TYR 177 Ca -0.10 0.52 -0.05 0.00 -1.01 0.00 0.00 57.07 56.43 1ua4 s TYR 177 Cb -0.14 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.37 1ua4 s TYR 177 CO 0.04 0.20 0.01 0.42 -1.11 0.00 0.00 175.55 175.11 1ua4 s ILE 178 N 0.61 3.72 -0.55 2.71 -1.09 0.30 -1.12 121.20 125.78 1ua4 s ILE 178 Ca 0.15 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 58.03 1ua4 s ILE 178 Cb -0.13 -2.74 0.14 0.00 -1.58 0.00 0.00 42.46 38.15 1ua4 s ILE 178 CO 0.03 0.35 0.45 -0.31 -1.23 0.00 0.00 174.94 174.24 1ua4 s TYR 179 N 1.52 3.42 0.10 3.97 2.02 -0.14 -0.24 117.35 128.00 1ua4 s TYR 179 Ca 0.05 -1.80 -0.16 0.00 -0.37 0.00 0.00 57.07 54.80 1ua4 s TYR 179 Cb -0.15 -3.60 -0.07 0.00 -0.40 0.00 0.00 41.96 37.74 1ua4 s TYR 179 CO -0.00 -0.99 0.53 -1.21 -1.57 0.00 0.00 175.55 172.30 1ua4 s GLU 180 N 1.16 4.03 -0.04 -0.62 0.41 -0.28 -1.69 118.70 121.67 1ua4 s GLU 180 Ca 0.07 0.54 -0.06 0.00 -0.41 0.00 0.00 54.97 55.12 1ua4 s GLU 180 Cb -0.25 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.03 1ua4 s GLU 180 CO -0.01 0.57 0.15 -0.59 -0.49 0.00 0.00 175.26 174.89 1ua4 s PHE 181 N -1.29 -0.09 0.65 1.61 -0.12 -0.75 -1.48 117.98 116.51 1ua4 s PHE 181 Ca 0.32 0.21 -0.06 0.00 -0.05 0.00 0.00 56.93 57.35 1ua4 s PHE 181 Cb -0.17 0.02 0.04 0.00 -0.63 0.00 0.00 43.02 42.28 1ua4 s PHE 181 CO 0.18 -0.16 0.95 -1.25 -0.05 0.00 0.00 175.22 174.89 1ua4 s PRO 182 N -0.48 2.51 0.34 1.99 0.04 -1.26 -1.84 135.00 136.30 1ua4 s PRO 182 Ca -0.06 -0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.50 1ua4 s PRO 182 Cb -0.04 -2.24 -0.11 0.00 0.04 0.00 0.00 34.50 32.16 1ua4 s PRO 182 CO 0.01 -0.98 1.53 0.50 0.04 0.00 0.00 177.00 178.10 1ua4 s ARG 183 N -5.11 4.12 0.00 4.56 3.52 -1.26 -1.76 118.95 123.01 1ua4 s ARG 183 Ca 0.57 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.75 1ua4 s ARG 183 Cb -0.11 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.29 1ua4 s ARG 183 CO 0.44 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 1ua4 n GLY 184 N 1.23 0.95 3.67 8.12 0.00 0.21 -4.92 105.19 114.46 1ua4 n GLY 184 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 1ua4 n GLY 184 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ua4 n PHE 185 N -2.00 2.24 -4.39 1.61 7.35 -0.72 -4.50 117.46 117.04 1ua4 n PHE 185 Ca 0.00 0.33 -0.34 0.00 -0.76 0.00 0.00 57.45 56.68 1ua4 n PHE 185 Cb 0.00 -2.51 -0.10 0.00 0.35 0.00 0.00 39.48 37.22 1ua4 n PHE 185 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1ua4 s ARG 186 N 0.39 2.87 -0.26 -4.13 1.81 -1.26 -1.20 118.95 117.18 1ua4 s ARG 186 Ca 0.75 -0.50 -0.02 0.00 -1.72 0.00 0.00 55.73 54.23 1ua4 s ARG 186 Cb -0.67 -2.71 0.12 0.00 -0.45 0.00 0.00 34.95 31.24 1ua4 s ARG 186 CO 0.42 0.67 0.27 0.08 -0.68 0.00 0.00 175.30 176.06 1ua4 s VAL 187 N -0.94 -0.37 0.00 3.52 1.01 -0.88 -4.49 120.40 118.25 1ua4 s VAL 187 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1ua4 s VAL 187 Cb -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1ua4 s VAL 187 CO 0.05 -0.37 0.00 0.49 0.00 0.00 0.00 175.10 175.27 1ua4 n PHE 188 N 5.31 0.00 1.34 5.22 3.72 -1.26 -1.06 117.46 130.73 1ua4 n PHE 188 Ca -0.04 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 1ua4 n PHE 188 Cb 0.47 0.00 0.66 0.00 -0.94 0.00 0.00 39.48 39.67 1ua4 n PHE 188 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1ua4 n GLU 189 N 14.00 0.44 -3.04 -1.08 0.00 -1.26 -4.89 120.64 124.81 1ua4 n GLU 189 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 57.16 56.75 1ua4 n GLU 189 Cb 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.88 1ua4 n GLU 189 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1ua4 s PHE 190 N -2.62 3.36 -0.04 -1.84 0.08 -0.22 -5.08 117.98 111.61 1ua4 s PHE 190 Ca 0.26 1.34 -0.01 0.00 0.12 0.00 0.00 56.93 58.63 1ua4 s PHE 190 Cb 0.20 -2.63 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1ua4 s PHE 190 CO 0.49 0.03 0.08 -2.00 -0.10 0.00 0.00 175.22 173.72 1ua4 s GLU 191 N -3.03 0.02 -0.03 0.44 2.12 -1.26 -2.06 118.70 114.90 1ua4 s GLU 191 Ca 0.56 0.26 -0.30 0.00 0.36 0.00 0.00 54.97 55.85 1ua4 s GLU 191 Cb -0.10 -0.21 -0.05 0.00 0.26 0.00 0.00 34.13 34.03 1ua4 s GLU 191 CO 0.16 -0.16 1.51 0.00 -0.54 0.00 0.00 175.26 176.23 1ua4 s ALA 192 N 1.06 3.62 -0.48 6.30 0.00 -0.34 -4.75 121.76 127.18 1ua4 s ALA 192 Ca -0.09 0.89 0.26 0.00 0.00 0.00 0.00 51.96 53.03 1ua4 s ALA 192 Cb -0.12 -3.66 0.80 0.00 0.00 0.00 0.00 23.12 20.14 1ua4 s ALA 192 CO -0.04 -1.14 1.75 -1.00 0.00 0.00 0.00 175.76 175.33 1ua4 h PRO 193 N 8.53 0.00 -2.45 0.00 0.13 -1.80 0.62 132.00 137.03 1ua4 h PRO 193 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.67 1ua4 h PRO 193 Cb 1.17 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.09 1ua4 h PRO 193 CO 0.93 0.00 -0.05 0.50 -0.23 0.00 0.00 178.00 179.16 1ua4 s ARG 194 N -3.26 0.77 0.33 0.86 3.52 -1.26 -4.82 118.95 115.10 1ua4 s ARG 194 Ca 0.07 0.36 -0.29 0.00 -0.13 0.00 0.00 55.73 55.74 1ua4 s ARG 194 Cb 0.09 0.37 -0.11 0.00 -1.56 0.00 0.00 34.95 33.74 1ua4 s ARG 194 CO 0.57 -0.18 1.50 -1.83 -0.81 0.00 0.00 175.30 174.54 1ua4 s GLU 195 N -0.58 4.15 0.00 5.12 1.03 -1.26 -4.55 118.70 122.61 1ua4 s GLU 195 Ca -0.07 2.51 0.00 0.00 0.03 0.00 0.00 54.97 57.44 1ua4 s GLU 195 Cb -0.03 -3.01 0.00 0.00 -0.80 0.00 0.00 34.13 30.29 1ua4 s GLU 195 CO 0.04 -0.52 0.00 -1.71 -1.33 0.00 0.00 175.26 171.75 1ua4 n ASN 196 N 1.24 0.00 -3.48 0.83 2.85 -0.77 -4.90 115.26 111.03 1ua4 n ASN 196 Ca 0.04 -0.46 -0.12 0.00 -0.11 0.00 0.00 54.58 53.92 1ua4 n ASN 196 Cb 0.39 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.38 1ua4 n ASN 196 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1ua4 s ARG 197 N -0.38 1.21 -0.04 1.20 3.03 -1.26 -1.80 118.95 120.91 1ua4 s ARG 197 Ca 0.00 -0.44 0.07 0.00 2.03 0.00 0.00 55.73 57.39 1ua4 s ARG 197 Cb 0.00 0.55 -0.02 0.00 -1.03 0.00 0.00 34.95 34.46 1ua4 s ARG 197 CO 0.00 -0.51 -0.25 0.12 -1.13 0.00 0.00 175.30 173.53 1ua4 s PHE 198 N -3.48 2.36 -0.14 5.89 5.36 -0.68 -3.53 117.98 123.75 1ua4 s PHE 198 Ca 0.00 -0.57 -0.00 0.00 -0.96 0.00 0.00 56.93 55.40 1ua4 s PHE 198 Cb -0.00 -1.54 -0.01 0.00 -0.34 0.00 0.00 43.02 41.13 1ua4 s PHE 198 CO -0.10 -0.12 -0.14 0.42 -1.46 0.00 0.00 175.22 173.82 1ua4 s ILE 199 N -0.40 2.91 -0.39 3.12 1.01 -0.49 -0.96 121.20 126.00 1ua4 s ILE 199 Ca 0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.92 1ua4 s ILE 199 Cb -0.12 -2.23 0.08 0.00 0.01 0.00 0.00 42.46 40.20 1ua4 s ILE 199 CO 0.01 0.52 0.20 -0.83 0.00 0.00 0.00 174.94 174.84 1ua4 s GLY 200 N 0.56 1.93 -0.05 6.18 0.00 -0.27 -1.24 107.32 114.43 1ua4 s GLY 200 Ca -0.09 -2.12 -0.30 0.00 0.00 0.00 0.00 44.72 42.22 1ua4 s GLY 200 CO 0.04 0.92 1.11 -1.35 0.00 0.00 0.00 173.10 173.82 1ua4 s SER 201 N 1.86 7.16 -0.28 1.64 1.04 -0.49 -1.16 113.70 123.45 1ua4 s SER 201 Ca 0.02 1.73 0.13 0.00 0.48 0.00 0.00 55.95 58.31 1ua4 s SER 201 Cb -0.22 -2.56 0.48 0.00 0.10 0.00 0.00 66.02 63.81 1ua4 s SER 201 CO 0.01 -0.49 1.16 0.00 0.98 0.00 0.00 173.24 174.90 1ua4 n ALA 202 N 4.81 4.17 -2.36 5.32 0.00 -0.74 -0.82 120.51 130.90 1ua4 n ALA 202 Ca 0.09 -3.44 -0.18 0.00 0.00 0.00 0.00 53.44 49.91 1ua4 n ALA 202 Cb 0.48 -0.53 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 1ua4 n ALA 202 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1ua4 s ASP 203 N -3.66 2.23 -0.26 0.00 -4.77 -1.22 -4.45 116.67 104.53 1ua4 s ASP 203 Ca 0.42 -1.17 0.09 0.00 -3.30 0.00 0.00 52.55 48.60 1ua4 s ASP 203 Cb 0.38 -0.07 0.47 0.00 -1.09 0.00 0.00 42.92 42.61 1ua4 s ASP 203 CO 0.01 -0.40 1.36 0.47 0.70 0.00 0.00 175.17 177.31 1ua4 n ASP 204 N -0.45 2.22 0.04 2.11 8.00 -1.26 -4.30 116.55 122.91 1ua4 n ASP 204 Ca -0.06 -3.85 -0.00 0.00 0.71 0.00 0.00 54.79 51.59 1ua4 n ASP 204 Cb 0.63 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 41.14 1ua4 n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1ua4 n TYR 205 N -1.11 0.00 0.05 1.24 4.02 -1.26 -4.63 117.16 115.46 1ua4 n TYR 205 Ca 0.28 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 58.18 1ua4 n TYR 205 Cb 0.89 -0.01 0.35 0.00 -0.02 0.00 0.00 39.34 40.55 1ua4 n TYR 205 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1ua4 h ASN 206 N -0.02 0.38 0.53 7.72 2.35 -1.90 -1.56 115.58 123.08 1ua4 h ASN 206 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ua4 h ASN 206 Cb 0.26 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1ua4 h ASN 206 CO -0.00 0.46 0.00 0.35 -1.65 0.00 0.00 177.43 176.59 1ua4 n THR 207 N -4.30 0.92 -0.07 2.81 -2.24 -1.26 -1.55 114.28 108.59 1ua4 n THR 207 Ca 0.01 0.35 0.03 0.00 -2.27 0.00 0.00 64.05 62.16 1ua4 n THR 207 Cb 0.23 -1.28 0.07 0.00 -2.10 0.00 0.00 70.33 67.25 1ua4 n THR 207 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ua4 n THR 208 N -2.17 0.97 -3.69 4.28 -2.24 -0.91 -4.24 114.28 106.29 1ua4 n THR 208 Ca 0.01 -0.98 -0.23 0.00 -2.27 0.00 0.00 64.05 60.58 1ua4 n THR 208 Cb 0.18 0.52 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 1ua4 n THR 208 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1ua4 n LEU 209 N -0.02 -3.18 -4.75 3.22 7.94 -0.59 -4.85 117.00 114.76 1ua4 n LEU 209 Ca 0.05 -0.86 -0.41 0.00 -1.11 0.00 0.00 56.01 53.68 1ua4 n LEU 209 Cb 0.32 -2.63 -0.02 0.00 0.53 0.00 0.00 43.42 41.63 1ua4 n LEU 209 CO 0.04 0.40 1.07 0.12 -1.11 0.00 0.00 177.39 177.90 1ua4 s PHE 210 N -3.65 3.04 -0.10 1.96 5.36 -0.64 -4.86 117.98 119.10 1ua4 s PHE 210 Ca 0.11 1.13 0.01 0.00 -0.96 0.00 0.00 56.93 57.21 1ua4 s PHE 210 Cb -0.03 -3.77 0.02 0.00 -0.34 0.00 0.00 43.02 38.90 1ua4 s PHE 210 CO 0.82 -2.42 -0.11 0.42 -1.46 0.00 0.00 175.22 172.47 1ua4 s ILE 211 N -0.24 1.22 0.71 3.12 1.01 -1.26 -4.75 121.20 121.01 1ua4 s ILE 211 Ca 0.57 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 1ua4 s ILE 211 Cb -0.41 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 1ua4 s ILE 211 CO 0.45 0.39 0.87 0.54 0.00 0.00 0.00 174.94 177.19 1ua4 n ARG 212 N 4.44 0.50 0.12 2.79 1.74 -1.26 -4.89 116.66 120.10 1ua4 n ARG 212 Ca -0.17 0.22 0.15 0.00 -0.77 0.00 0.00 57.85 57.28 1ua4 n ARG 212 Cb 0.51 -2.13 0.68 0.00 -1.02 0.00 0.00 32.46 30.50 1ua4 n ARG 212 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1ua4 h GLU 213 N -0.20 0.00 -0.32 5.56 4.57 -2.00 -1.84 114.58 120.36 1ua4 h GLU 213 Ca -0.47 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 57.63 1ua4 h GLU 213 Cb 1.34 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.92 1ua4 h GLU 213 CO 0.46 0.00 -0.12 0.93 -1.18 0.00 0.00 179.01 179.11 1ua4 h GLU 214 N 0.00 0.55 -0.00 1.92 3.07 -1.91 -2.62 114.58 115.57 1ua4 h GLU 214 Ca 0.13 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1ua4 h GLU 214 Cb 0.55 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1ua4 h GLU 214 CO -0.00 0.66 -0.03 1.19 -1.40 0.00 0.00 179.01 179.43 1ua4 n PHE 215 N -4.20 0.00 0.00 4.33 3.72 -0.69 -3.12 117.46 117.50 1ua4 n PHE 215 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1ua4 n PHE 215 Cb 0.33 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1ua4 n PHE 215 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ua4 n ARG 216 N -0.68 0.00 -0.04 -1.08 1.74 -0.99 -4.39 116.66 111.22 1ua4 n ARG 216 Ca 0.20 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.38 1ua4 n ARG 216 Cb 0.22 0.00 0.45 0.00 -1.02 0.00 0.00 32.46 32.11 1ua4 n ARG 216 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ua4 n GLU 217 N 0.00 1.39 -0.29 5.56 1.02 -1.26 -3.00 120.64 124.06 1ua4 n GLU 217 Ca 0.00 -0.58 0.08 0.00 -0.02 0.00 0.00 57.16 56.64 1ua4 n GLU 217 Cb 0.00 -1.34 0.24 0.00 -0.02 0.00 0.00 31.44 30.31 1ua4 n GLU 217 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1ua4 n SER 218 N -0.19 3.47 -0.22 1.62 3.41 -1.24 -4.51 113.62 115.96 1ua4 n SER 218 Ca 0.15 -2.06 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 1ua4 n SER 218 Cb 0.20 -0.36 0.25 0.00 -0.26 0.00 0.00 64.21 64.04 1ua4 n SER 218 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ua4 h PHE 219 N 3.03 0.95 -0.98 7.33 3.04 -1.47 -2.43 116.94 126.40 1ua4 h PHE 219 Ca 0.00 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.00 1ua4 h PHE 219 Cb 0.90 -0.32 -0.06 0.00 2.56 0.00 0.00 35.95 39.03 1ua4 h PHE 219 CO 0.37 0.59 0.64 0.77 -2.02 0.00 0.00 178.31 178.67 1ua4 h SER 220 N 1.02 1.08 -0.04 0.41 0.02 -1.85 -2.25 113.55 111.94 1ua4 h SER 220 Ca 0.28 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1ua4 h SER 220 Cb -0.10 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 1ua4 h SER 220 CO -0.06 0.75 0.00 -0.33 -1.14 0.00 0.00 176.83 176.05 1ua4 h GLU 221 N 1.26 0.07 -0.42 3.45 5.08 -1.78 -3.20 114.58 119.03 1ua4 h GLU 221 Ca 0.39 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.81 1ua4 h GLU 221 Cb -0.02 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1ua4 h GLU 221 CO -0.12 0.33 -0.03 0.28 -1.00 0.00 0.00 179.01 178.47 1ua4 h VAL 222 N -0.21 0.64 -0.20 3.13 2.07 -1.22 -2.67 116.25 117.79 1ua4 h VAL 222 Ca 0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ua4 h VAL 222 Cb 0.30 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ua4 h VAL 222 CO 0.00 0.01 0.00 2.30 0.02 0.00 0.00 177.57 179.90 1ua4 n ILE 223 N -5.24 0.65 0.17 4.57 -5.35 -0.88 -4.41 119.36 108.86 1ua4 n ILE 223 Ca 0.03 -0.39 0.08 0.00 -0.27 0.00 0.00 62.75 62.20 1ua4 n ILE 223 Cb 0.23 -0.20 0.59 0.00 -1.74 0.00 0.00 39.64 38.52 1ua4 n ILE 223 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1ua4 h LYS 224 N 1.30 0.14 -0.37 6.28 1.57 -1.46 -3.02 116.57 121.01 1ua4 h LYS 224 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ua4 h LYS 224 Cb 0.70 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1ua4 h LYS 224 CO 0.09 0.09 0.00 0.09 -0.57 0.00 0.00 179.45 179.16 1ua4 n ASN 225 N -4.51 2.97 -4.87 0.86 5.03 -1.26 -5.01 115.26 108.47 1ua4 n ASN 225 Ca -0.00 -1.98 -0.31 0.00 0.87 0.00 0.00 54.58 53.16 1ua4 n ASN 225 Cb 0.13 -0.24 -0.05 0.00 -1.02 0.00 0.00 39.78 38.60 1ua4 n ASN 225 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1ua4 s VAL 226 N -1.00 4.80 -0.19 2.41 -7.23 -1.14 -4.14 120.40 113.91 1ua4 s VAL 226 Ca 0.25 0.66 0.13 0.00 -1.81 0.00 0.00 61.98 61.21 1ua4 s VAL 226 Cb 0.13 -3.65 -0.18 0.00 0.56 0.00 0.00 36.38 33.24 1ua4 s VAL 226 CO 0.17 -0.24 0.36 0.00 -0.31 0.00 0.00 175.10 175.08 1ua4 n GLN 227 N -0.56 1.15 -4.01 4.82 6.02 0.86 -4.91 117.38 120.74 1ua4 n GLN 227 Ca 0.02 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.00 56.83 1ua4 n GLN 227 Cb 0.53 -1.24 -0.07 0.00 1.02 0.00 0.00 30.24 30.48 1ua4 n GLN 227 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1ua4 s LEU 228 N -3.49 0.92 -0.11 1.08 1.43 -1.15 -4.10 118.68 113.26 1ua4 s LEU 228 Ca -0.02 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 1ua4 s LEU 228 Cb 0.09 1.13 0.03 0.00 0.03 0.00 0.00 46.19 47.46 1ua4 s LEU 228 CO 0.53 -0.92 0.33 0.00 0.23 0.00 0.00 176.35 176.51 1ua4 s ALA 229 N -4.01 -0.82 -0.12 4.21 0.00 -0.76 -0.98 121.76 119.29 1ua4 s ALA 229 Ca 0.22 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1ua4 s ALA 229 Cb 0.03 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1ua4 s ALA 229 CO 0.04 -0.18 -0.11 0.42 0.00 0.00 0.00 175.76 175.93 1ua4 s ILE 230 N -0.08 1.25 0.09 0.00 1.01 0.03 -0.65 121.20 122.85 1ua4 s ILE 230 Ca -0.02 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1ua4 s ILE 230 Cb -0.03 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1ua4 s ILE 230 CO 0.01 0.40 -0.26 -0.76 0.00 0.00 0.00 174.94 174.33 1ua4 s LEU 231 N 1.43 2.25 0.27 2.97 1.43 0.05 -1.87 118.68 125.21 1ua4 s LEU 231 Ca 0.01 -0.68 -0.20 0.00 -1.03 0.00 0.00 54.13 52.24 1ua4 s LEU 231 Cb -0.13 -1.23 0.07 0.00 0.03 0.00 0.00 46.19 44.92 1ua4 s LEU 231 CO -0.07 0.21 0.92 -0.55 0.23 0.00 0.00 176.35 177.09 1ua4 s SER 232 N -1.70 -0.01 0.00 2.29 0.15 0.18 -1.63 113.70 112.97 1ua4 s SER 232 Ca 0.13 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1ua4 s SER 232 Cb -0.10 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1ua4 s SER 232 CO 0.04 -1.30 0.00 0.61 1.20 0.00 0.00 173.24 173.80 1ua4 n GLY 233 N -0.61 1.75 0.25 9.45 0.00 -1.26 -1.43 105.19 113.34 1ua4 n GLY 233 Ca -0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.14 1ua4 n GLY 233 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ua4 h LEU 234 N 0.00 0.00 -2.35 0.99 4.07 -1.93 -3.19 115.31 112.90 1ua4 h LEU 234 Ca 0.00 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1ua4 h LEU 234 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 1ua4 h LEU 234 CO 0.00 0.00 0.12 0.06 -1.08 0.00 0.00 178.44 177.54 1ua4 h GLN 235 N 0.00 0.00 0.00 1.13 -0.00 -1.89 -2.53 115.11 111.82 1ua4 h GLN 235 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ua4 h GLN 235 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1ua4 h GLN 235 CO 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 178.83 178.47 1ua4 h ALA 236 N 1.85 0.77 -2.43 0.06 0.00 -1.84 -3.39 119.26 114.27 1ua4 h ALA 236 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 1ua4 h ALA 236 Cb 0.30 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.21 1ua4 h ALA 236 CO -0.00 0.00 0.35 -0.51 0.00 0.00 0.00 179.25 179.09 1ua4 s LEU 237 N -4.62 3.26 0.39 0.00 1.43 -0.96 -4.85 118.68 113.34 1ua4 s LEU 237 Ca 0.07 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.21 1ua4 s LEU 237 Cb 0.12 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1ua4 s LEU 237 CO 0.68 -1.87 0.05 0.42 0.23 0.00 0.00 176.35 175.86 1ua4 s THR 238 N -2.47 1.34 0.21 5.49 -4.23 -1.26 -4.61 115.64 110.12 1ua4 s THR 238 Ca 0.66 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.51 1ua4 s THR 238 Cb -0.21 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.30 1ua4 s THR 238 CO 0.46 0.00 2.04 0.07 -0.54 0.00 0.00 174.62 176.66 1ua4 h LYS 239 N 1.85 0.00 0.00 3.99 2.10 -1.95 -1.88 116.57 120.68 1ua4 h LYS 239 Ca -0.41 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.05 1ua4 h LYS 239 Cb 1.26 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.56 1ua4 h LYS 239 CO 0.72 0.00 -1.09 0.93 -2.00 0.00 0.00 179.45 178.01 1ua4 h GLU 240 N 0.00 0.00 0.00 0.07 4.39 -2.02 -3.41 114.58 113.61 1ua4 h GLU 240 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1ua4 h GLU 240 Cb 0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ua4 h GLU 240 CO 0.00 0.59 -0.14 0.27 -1.16 0.00 0.00 179.01 178.57 1ua4 n ASN 241 N -3.14 0.88 0.10 1.42 0.23 -0.96 -4.87 115.26 108.91 1ua4 n ASN 241 Ca -0.05 -1.89 -0.03 0.00 -0.53 0.00 0.00 54.58 52.09 1ua4 n ASN 241 Cb 0.88 -0.14 -0.03 0.00 -2.08 0.00 0.00 39.78 38.41 1ua4 n ASN 241 CO 0.00 0.00 0.00 0.10 -0.93 0.00 0.00 177.26 176.43 1ua4 h TYR 242 N 0.00 0.00 -0.06 -2.53 -0.00 -1.58 -3.40 116.97 109.39 1ua4 h TYR 242 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.76 1ua4 h TYR 242 Cb 1.00 0.00 -0.06 0.00 -0.00 0.00 0.00 36.73 37.67 1ua4 h TYR 242 CO 0.03 0.79 -0.54 0.87 -0.00 0.00 0.00 178.16 179.31 1ua4 h LYS 243 N 0.00 -0.61 -0.08 0.10 1.57 -1.89 -1.44 116.57 114.23 1ua4 h LYS 243 Ca -0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ua4 h LYS 243 Cb 1.56 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 1ua4 h LYS 243 CO 0.10 -0.41 0.00 0.93 -0.57 0.00 0.00 179.45 179.51 1ua4 h GLU 244 N -0.63 0.03 -0.87 3.15 5.08 -1.98 -2.44 114.58 116.91 1ua4 h GLU 244 Ca 0.02 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ua4 h GLU 244 Cb 0.70 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1ua4 h GLU 244 CO -0.40 0.02 0.57 -1.35 -1.00 0.00 0.00 179.01 176.86 1ua4 h PRO 245 N 0.03 1.15 -0.78 2.33 0.11 -1.77 -2.44 132.00 130.64 1ua4 h PRO 245 Ca 0.04 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.11 1ua4 h PRO 245 Cb 0.04 -0.26 -0.05 0.00 0.11 0.00 0.00 31.00 30.85 1ua4 h PRO 245 CO -0.06 0.77 0.51 0.74 -0.21 0.00 0.00 178.00 179.75 1ua4 h PHE 246 N 1.19 0.91 -0.32 0.65 -1.00 -1.01 -1.31 116.94 116.05 1ua4 h PHE 246 Ca 0.32 0.02 -0.09 0.00 2.81 0.00 0.00 57.97 61.03 1ua4 h PHE 246 Cb -0.13 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.12 1ua4 h PHE 246 CO -0.01 0.52 -0.19 0.93 -1.61 0.00 0.00 178.31 177.95 1ua4 h GLU 247 N 0.93 0.59 -0.21 1.51 4.39 -0.96 -0.02 114.58 120.81 1ua4 h GLU 247 Ca 0.32 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1ua4 h GLU 247 Cb 0.10 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ua4 h GLU 247 CO -0.10 0.74 -0.04 0.82 -1.16 0.00 0.00 179.01 179.28 1ua4 h ILE 248 N 0.53 1.28 -0.53 3.13 1.08 -1.13 -1.64 117.51 120.22 1ua4 h ILE 248 Ca 0.08 -0.99 0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1ua4 h ILE 248 Cb 0.62 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1ua4 h ILE 248 CO 0.04 0.30 0.35 0.58 -0.69 0.00 0.00 178.15 178.74 1ua4 h VAL 249 N 0.12 1.13 -0.49 1.67 2.07 -1.04 -1.10 116.25 118.62 1ua4 h VAL 249 Ca 0.05 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1ua4 h VAL 249 Cb 0.47 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ua4 h VAL 249 CO 0.02 0.13 0.18 0.11 0.02 0.00 0.00 177.57 178.03 1ua4 h LYS 250 N 0.71 0.70 -0.51 1.57 1.57 -0.92 0.12 116.57 119.82 1ua4 h LYS 250 Ca 0.20 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 1ua4 h LYS 250 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1ua4 h LYS 250 CO -0.05 0.59 -0.07 0.77 -0.57 0.00 0.00 179.45 180.12 1ua4 h SER 251 N 0.69 0.95 -0.68 0.86 0.02 -0.72 -0.43 113.55 114.24 1ua4 h SER 251 Ca 0.17 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1ua4 h SER 251 Cb 0.16 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1ua4 h SER 251 CO -0.01 1.06 0.29 0.78 -1.14 0.00 0.00 176.83 177.81 1ua4 h ASN 252 N 0.81 0.91 -0.40 3.07 2.35 -0.39 -2.39 115.58 119.55 1ua4 h ASN 252 Ca 0.14 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1ua4 h ASN 252 Cb 0.62 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1ua4 h ASN 252 CO 0.04 0.82 0.11 -0.07 -1.65 0.00 0.00 177.43 176.68 1ua4 h LEU 253 N 0.95 0.66 -0.54 1.61 3.38 -0.44 -0.25 115.31 120.68 1ua4 h LEU 253 Ca 0.23 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ua4 h LEU 253 Cb 0.17 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ua4 h LEU 253 CO -0.02 0.66 0.22 -0.33 0.09 0.00 0.00 178.44 179.06 1ua4 h GLU 254 N 0.69 0.80 -0.32 1.13 5.08 -0.61 0.25 114.58 121.60 1ua4 h GLU 254 Ca 0.16 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1ua4 h GLU 254 Cb 0.26 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1ua4 h GLU 254 CO -0.00 0.69 -0.01 0.28 -1.00 0.00 0.00 179.01 178.97 1ua4 h VAL 255 N 0.73 1.26 -0.24 3.13 2.07 -1.03 -0.92 116.25 121.24 1ua4 h VAL 255 Ca 0.18 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ua4 h VAL 255 Cb 0.18 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1ua4 h VAL 255 CO -0.02 0.32 0.13 -0.07 0.02 0.00 0.00 177.57 177.95 1ua4 h LEU 256 N 0.36 0.30 -0.88 2.57 3.38 -0.81 -2.31 115.31 117.92 1ua4 h LEU 256 Ca 0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ua4 h LEU 256 Cb 0.46 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1ua4 h LEU 256 CO 0.02 0.31 0.39 0.78 0.09 0.00 0.00 178.44 180.03 1ua4 h ASN 257 N 0.28 1.09 -1.00 -0.43 2.35 -0.45 -1.12 115.58 116.30 1ua4 h ASN 257 Ca 0.09 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1ua4 h ASN 257 Cb 0.07 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.11 1ua4 h ASN 257 CO -0.01 0.92 0.67 -0.08 -1.65 0.00 0.00 177.43 177.27 1ua4 h GLU 258 N 1.19 1.32 -0.10 0.81 4.57 -0.92 -0.64 114.58 120.81 1ua4 h GLU 258 Ca 0.28 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1ua4 h GLU 258 Cb 0.13 -0.30 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1ua4 h GLU 258 CO -0.03 0.87 0.00 0.54 -1.18 0.00 0.00 179.01 179.21 1ua4 n ARG 259 N -4.38 1.46 -3.68 1.92 1.74 -0.89 -4.92 116.66 107.91 1ua4 n ARG 259 Ca 0.12 -0.70 -0.25 0.00 -0.77 0.00 0.00 57.85 56.26 1ua4 n ARG 259 Cb 0.01 -1.36 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 1ua4 n ARG 259 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ua4 n GLU 260 N -0.08 -6.77 -3.37 5.56 1.02 -0.25 -4.97 120.64 111.78 1ua4 n GLU 260 Ca 0.15 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.62 1ua4 n GLU 260 Cb 0.23 -5.70 -0.09 0.00 -0.02 0.00 0.00 31.44 25.87 1ua4 n GLU 260 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ua4 s ILE 261 N -3.36 5.14 0.26 -3.67 1.01 -0.50 -5.02 121.20 115.07 1ua4 s ILE 261 Ca 0.47 -0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.80 1ua4 s ILE 261 Cb -0.22 -3.88 -0.12 0.00 0.01 0.00 0.00 42.46 38.25 1ua4 s ILE 261 CO 0.77 -0.17 1.59 -2.65 0.00 0.00 0.00 174.94 174.48 1ua4 n PRO 262 N 5.45 2.58 -5.19 2.79 -0.02 -1.26 -4.54 135.00 134.81 1ua4 n PRO 262 Ca -0.08 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 62.00 1ua4 n PRO 262 Cb 0.49 -2.70 -0.16 0.00 -0.02 0.00 0.00 33.50 31.11 1ua4 n PRO 262 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ua4 s VAL 263 N 0.26 2.22 -0.11 -1.45 1.01 -1.26 -1.82 120.40 119.25 1ua4 s VAL 263 Ca 0.68 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1ua4 s VAL 263 Cb -0.53 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1ua4 s VAL 263 CO 0.45 0.57 -0.15 -2.28 0.00 0.00 0.00 175.10 173.69 1ua4 s HIS 264 N -0.17 2.75 -0.21 5.22 5.04 0.18 -0.35 115.29 127.74 1ua4 s HIS 264 Ca -0.03 -0.58 -0.08 0.00 -1.54 0.00 0.00 55.06 52.83 1ua4 s HIS 264 Cb -0.14 -1.77 -0.04 0.00 0.04 0.00 0.00 32.58 30.67 1ua4 s HIS 264 CO 0.04 -0.14 0.09 -1.17 -2.34 0.00 0.00 174.74 171.22 1ua4 s LEU 265 N 0.09 3.82 -0.41 8.88 2.96 0.15 -0.77 118.68 133.39 1ua4 s LEU 265 Ca -0.06 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.69 1ua4 s LEU 265 Cb -0.15 -2.00 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1ua4 s LEU 265 CO 0.05 0.09 0.50 -0.70 -1.32 0.00 0.00 176.35 174.97 1ua4 s GLU 266 N 0.87 3.25 0.61 1.98 2.56 -0.65 -0.81 118.70 126.51 1ua4 s GLU 266 Ca 0.05 -0.54 -0.15 0.00 0.00 0.00 0.00 54.97 54.33 1ua4 s GLU 266 Cb -0.13 -3.93 -0.03 0.00 2.00 0.00 0.00 34.13 32.04 1ua4 s GLU 266 CO 0.03 -0.85 1.06 0.12 -0.56 0.00 0.00 175.26 175.06 1ua4 s PHE 267 N 2.36 2.97 0.22 5.30 2.19 0.06 -4.62 117.98 126.47 1ua4 s PHE 267 Ca 0.16 1.51 -0.09 0.00 0.33 0.00 0.00 56.93 58.84 1ua4 s PHE 267 Cb -0.16 -3.01 -0.01 0.00 -1.31 0.00 0.00 43.02 38.53 1ua4 s PHE 267 CO 0.15 -1.17 0.34 0.00 1.83 0.00 0.00 175.22 176.37 1ua4 s ALA 268 N -2.50 0.20 -0.25 11.12 0.00 -1.26 -4.75 121.76 124.32 1ua4 s ALA 268 Ca 0.63 -1.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.17 1ua4 s ALA 268 Cb -0.16 1.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.98 1ua4 s ALA 268 CO 0.39 -0.74 2.14 0.34 0.00 0.00 0.00 175.76 177.89 1ua4 n PHE 269 N -0.32 1.88 -3.76 0.00 7.35 -1.26 -4.86 117.46 116.50 1ua4 n PHE 269 Ca -0.02 0.07 -0.35 0.00 -0.76 0.00 0.00 57.45 56.39 1ua4 n PHE 269 Cb 0.63 -2.63 -0.10 0.00 0.35 0.00 0.00 39.48 37.73 1ua4 n PHE 269 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ua4 s THR 270 N 7.03 3.51 0.27 -2.13 2.01 -1.26 -4.74 115.64 120.33 1ua4 s THR 270 Ca 1.03 -3.07 -0.01 0.00 0.31 0.00 0.00 61.69 59.95 1ua4 s THR 270 Cb -0.63 -3.31 0.28 0.00 0.01 0.00 0.00 72.50 68.85 1ua4 s THR 270 CO 0.44 -0.87 1.87 1.55 -0.69 0.00 0.00 174.62 176.92 1ua4 h PRO 271 N 6.88 1.08 -6.40 4.92 0.13 -1.88 -3.41 132.00 133.33 1ua4 h PRO 271 Ca -0.02 -0.07 -0.57 0.00 -0.87 0.00 0.00 66.00 64.47 1ua4 h PRO 271 Cb 0.94 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 31.78 1ua4 h PRO 271 CO 0.71 0.72 1.10 0.34 -0.23 0.00 0.00 178.00 180.63 1ua4 s ASP 272 N -5.83 6.34 0.43 1.44 -1.08 -1.26 -4.89 116.67 111.82 1ua4 s ASP 272 Ca -0.12 1.15 0.09 0.00 -0.52 0.00 0.00 52.55 53.16 1ua4 s ASP 272 Cb 0.21 -2.54 0.94 0.00 -1.46 0.00 0.00 42.92 40.08 1ua4 s ASP 272 CO 0.81 -1.37 2.06 -0.33 0.52 0.00 0.00 175.17 176.86 1ua4 h GLU 273 N 10.78 0.37 -0.19 4.34 5.08 -1.96 -0.83 114.58 132.16 1ua4 h GLU 273 Ca -0.30 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1ua4 h GLU 273 Cb 1.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1ua4 h GLU 273 CO 1.05 0.28 -0.03 -0.22 -1.00 0.00 0.00 179.01 179.08 1ua4 h LYS 274 N 0.37 0.36 -0.58 2.33 1.63 -1.95 -1.88 116.57 116.85 1ua4 h LYS 274 Ca 0.10 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1ua4 h LYS 274 Cb 0.02 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1ua4 h LYS 274 CO -0.02 0.60 0.00 0.28 -3.45 0.00 0.00 179.45 176.87 1ua4 h VAL 275 N 0.09 1.26 -0.93 2.00 2.07 -1.80 -1.11 116.25 117.83 1ua4 h VAL 275 Ca 0.05 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1ua4 h VAL 275 Cb 0.46 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1ua4 h VAL 275 CO 0.02 0.41 0.60 -0.09 0.02 0.00 0.00 177.57 178.52 1ua4 h ARG 276 N 0.93 1.11 -0.41 1.57 2.43 -1.06 -0.30 114.38 118.65 1ua4 h ARG 276 Ca 0.17 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1ua4 h ARG 276 Cb 0.54 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1ua4 h ARG 276 CO 0.03 0.74 -0.29 1.49 -1.51 0.00 0.00 179.97 180.42 1ua4 h GLU 277 N 1.15 0.89 -0.12 0.20 4.81 -0.92 -2.80 114.58 117.80 1ua4 h GLU 277 Ca 0.38 -0.41 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1ua4 h GLU 277 Cb 0.05 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ua4 h GLU 277 CO -0.14 1.06 -0.24 0.93 -0.73 0.00 0.00 179.01 179.90 1ua4 h GLU 278 N 0.75 0.20 -0.37 1.92 4.39 -0.25 -1.53 114.58 119.69 1ua4 h GLU 278 Ca 0.08 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1ua4 h GLU 278 Cb 0.86 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.47 1ua4 h GLU 278 CO 0.08 0.44 0.03 0.82 -1.16 0.00 0.00 179.01 179.21 1ua4 h ILE 279 N 0.19 1.25 -0.85 3.13 2.04 -0.91 -2.51 117.51 119.84 1ua4 h ILE 279 Ca 0.03 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1ua4 h ILE 279 Cb 0.53 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1ua4 h ILE 279 CO 0.04 0.31 0.57 -0.07 0.00 0.00 0.00 178.15 178.99 1ua4 h LEU 280 N 0.46 0.97 -2.46 1.44 3.38 -1.17 -1.71 115.31 116.24 1ua4 h LEU 280 Ca 0.11 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ua4 h LEU 280 Cb 0.41 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1ua4 h LEU 280 CO 0.01 0.70 -0.02 0.78 0.09 0.00 0.00 178.44 180.00 1ua4 h ASN 281 N 1.15 0.00 -0.09 -0.43 2.35 -0.85 -2.30 115.58 115.41 1ua4 h ASN 281 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1ua4 h ASN 281 Cb -0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1ua4 h ASN 281 CO -0.07 0.02 0.00 1.33 -1.65 0.00 0.00 177.43 177.06 1ua4 n VAL 282 N -3.63 0.19 0.30 2.81 0.24 -0.73 -4.59 118.33 112.91 1ua4 n VAL 282 Ca -0.03 -0.59 0.16 0.00 -2.04 0.00 0.00 64.34 61.84 1ua4 n VAL 282 Cb 0.11 1.13 0.91 0.00 -1.47 0.00 0.00 33.84 34.53 1ua4 n VAL 282 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ua4 h LEU 283 N 2.55 0.00 -1.11 1.34 3.38 -0.74 -1.45 115.31 119.29 1ua4 h LEU 283 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ua4 h LEU 283 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1ua4 h LEU 283 CO 0.00 0.04 0.00 1.23 0.09 0.00 0.00 178.44 179.80 1ua4 h GLY 284 N 0.39 0.00 1.53 0.83 0.00 -1.76 -0.30 103.07 103.77 1ua4 h GLY 284 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ua4 h GLY 284 CO 0.01 0.00 -0.24 1.03 0.00 0.00 0.00 176.54 177.34 1ua4 n MET 285 N -2.31 0.01 -3.84 4.80 2.81 -0.55 -4.79 117.12 113.25 1ua4 n MET 285 Ca 0.00 0.00 -0.32 0.00 -1.81 0.00 0.00 57.70 55.58 1ua4 n MET 285 Cb 0.15 -1.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.11 1ua4 n MET 285 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 1ua4 s PHE 286 N -3.00 3.52 0.01 2.03 0.40 -0.12 -4.84 117.98 115.97 1ua4 s PHE 286 Ca 0.12 0.37 -0.04 0.00 -0.60 0.00 0.00 56.93 56.78 1ua4 s PHE 286 Cb 0.18 -1.85 -0.28 0.00 0.51 0.00 0.00 43.02 41.58 1ua4 s PHE 286 CO 0.61 0.56 0.88 -0.92 0.70 0.00 0.00 175.22 177.05 1ua4 h TYR 287 N 3.19 0.47 -4.21 0.36 5.03 -0.97 -3.36 116.97 117.48 1ua4 h TYR 287 Ca -0.46 -0.34 -0.13 0.00 2.58 0.00 0.00 58.73 60.37 1ua4 h TYR 287 Cb 1.17 -0.02 -0.15 0.00 1.55 0.00 0.00 36.73 39.28 1ua4 h TYR 287 CO 0.62 1.38 -0.62 0.45 -1.32 0.00 0.00 178.16 178.68 1ua4 s SER 288 N -7.01 0.38 -0.10 -2.11 0.15 -0.69 -1.05 113.70 103.28 1ua4 s SER 288 Ca -0.09 -1.00 -0.09 0.00 0.70 0.00 0.00 55.95 55.47 1ua4 s SER 288 Cb 0.07 0.25 0.03 0.00 -1.71 0.00 0.00 66.02 64.65 1ua4 s SER 288 CO 0.86 -0.66 0.27 0.54 1.20 0.00 0.00 173.24 175.45 1ua4 s VAL 289 N -3.94 -0.00 -0.00 4.45 0.11 -0.07 -0.68 120.40 120.27 1ua4 s VAL 289 Ca 0.11 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 1ua4 s VAL 289 Cb 0.07 -0.39 -0.02 0.00 -1.53 0.00 0.00 36.38 34.51 1ua4 s VAL 289 CO -0.07 0.00 -0.26 -0.83 -3.33 0.00 0.00 175.10 170.61 1ua4 s GLY 290 N 0.17 1.32 0.13 6.54 0.00 0.01 -0.70 107.32 114.78 1ua4 s GLY 290 Ca -0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 44.72 43.31 1ua4 s GLY 290 CO 0.00 -1.00 0.80 0.48 0.00 0.00 0.00 173.10 173.38 1ua4 s LEU 291 N -0.82 -0.36 0.00 0.66 0.05 -0.82 -0.76 118.68 116.64 1ua4 s LEU 291 Ca 0.11 -0.20 0.02 0.00 0.05 0.00 0.00 54.13 54.10 1ua4 s LEU 291 Cb -0.10 2.34 0.02 0.00 -2.05 0.00 0.00 46.19 46.39 1ua4 s LEU 291 CO 0.00 -0.91 0.13 -0.46 -0.55 0.00 0.00 176.35 174.56 1ua4 n ASN 292 N -0.37 1.15 -0.11 1.48 0.23 -1.26 -1.48 115.26 114.91 1ua4 n ASN 292 Ca -0.10 -1.44 -0.07 0.00 -0.53 0.00 0.00 54.58 52.44 1ua4 n ASN 292 Cb 0.62 -0.04 0.10 0.00 -2.08 0.00 0.00 39.78 38.38 1ua4 n ASN 292 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1ua4 h GLU 293 N 0.00 0.81 -0.44 -3.83 9.09 -1.87 -1.02 114.58 117.33 1ua4 h GLU 293 Ca -0.08 -0.30 -0.06 0.00 0.05 0.00 0.00 59.36 58.98 1ua4 h GLU 293 Cb 0.31 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.34 1ua4 h GLU 293 CO 0.12 0.91 0.06 0.28 0.05 0.00 0.00 179.01 180.43 1ua4 h VAL 294 N 0.72 1.25 -0.39 -1.06 2.07 -1.93 -1.19 116.25 115.73 1ua4 h VAL 294 Ca 0.11 -0.92 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1ua4 h VAL 294 Cb 0.66 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1ua4 h VAL 294 CO 0.05 0.32 -0.12 -0.33 0.02 0.00 0.00 177.57 177.51 1ua4 h GLU 295 N 0.59 0.77 -0.28 1.57 5.08 -1.91 -1.62 114.58 118.78 1ua4 h GLU 295 Ca 0.13 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1ua4 h GLU 295 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ua4 h GLU 295 CO 0.01 0.92 -0.17 1.25 -1.00 0.00 0.00 179.01 180.02 1ua4 h LEU 296 N 0.58 0.48 -0.59 1.33 5.85 -1.12 -2.30 115.31 119.53 1ua4 h LEU 296 Ca 0.10 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 1ua4 h LEU 296 Cb 0.64 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ua4 h LEU 296 CO 0.04 0.67 0.07 0.00 -0.34 0.00 0.00 178.44 178.88 1ua4 h ALA 297 N 1.38 0.79 0.00 1.25 0.00 -1.03 -1.63 119.26 120.02 1ua4 h ALA 297 Ca 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1ua4 h ALA 297 Cb 0.55 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ua4 h ALA 297 CO 0.04 0.57 -0.19 0.66 0.00 0.00 0.00 179.25 180.33 1ua4 h SER 298 N 0.91 0.00 -0.00 0.00 4.64 -0.83 -0.85 113.55 117.41 1ua4 h SER 298 Ca 0.18 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.30 1ua4 h SER 298 Cb 0.47 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1ua4 h SER 298 CO 0.02 0.19 -0.78 0.40 -0.87 0.00 0.00 176.83 175.79 1ua4 h ILE 299 N 0.00 1.36 -0.66 0.95 2.04 -1.00 -3.14 117.51 117.07 1ua4 h ILE 299 Ca -0.00 -2.14 -0.01 0.00 1.00 0.00 0.00 64.86 63.71 1ua4 h ILE 299 Cb 0.40 2.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.95 1ua4 h ILE 299 CO 0.03 0.64 0.37 0.24 0.00 0.00 0.00 178.15 179.43 1ua4 h MET 300 N 0.11 0.90 -0.58 2.37 2.86 -0.82 -2.38 114.93 117.39 1ua4 h MET 300 Ca -0.10 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1ua4 h MET 300 Cb 1.47 -0.19 -0.07 0.00 0.06 0.00 0.00 31.60 32.88 1ua4 h MET 300 CO 0.15 0.65 0.23 1.49 1.06 0.00 0.00 176.91 180.50 1ua4 h GLU 301 N 0.91 0.41 -0.00 1.72 4.81 -1.13 -0.35 114.58 120.96 1ua4 h GLU 301 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1ua4 h GLU 301 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1ua4 h GLU 301 CO -0.04 0.27 -0.11 0.44 -0.73 0.00 0.00 179.01 178.85 1ua4 n ILE 302 N -4.97 0.00 0.85 2.32 -5.35 -0.98 -2.96 119.36 108.28 1ua4 n ILE 302 Ca 0.08 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.67 1ua4 n ILE 302 Cb 0.24 -0.32 0.26 0.00 -1.74 0.00 0.00 39.64 38.08 1ua4 n ILE 302 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ua4 n LEU 303 N -1.43 2.70 0.00 7.28 4.77 -0.50 -4.94 117.00 124.88 1ua4 n LEU 303 Ca 0.08 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 1ua4 n LEU 303 Cb 0.32 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1ua4 n LEU 303 CO 0.28 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1ua4 n GLY 304 N 1.34 0.82 3.28 -0.72 0.00 -0.81 -4.98 105.19 104.12 1ua4 n GLY 304 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1ua4 n GLY 304 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ua4 n GLU 305 N -2.16 3.33 -0.24 1.61 -0.58 -0.26 -4.80 120.64 117.54 1ua4 n GLU 305 Ca 0.00 -3.51 -0.06 0.00 -0.42 0.00 0.00 57.16 53.17 1ua4 n GLU 305 Cb 0.00 -3.15 0.05 0.00 -0.57 0.00 0.00 31.44 27.77 1ua4 n GLU 305 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 1ua4 h LYS 306 N 6.80 0.95 0.39 3.49 2.10 -1.89 -2.23 116.57 126.17 1ua4 h LYS 306 Ca 0.39 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.91 1ua4 h LYS 306 Cb 0.79 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 1ua4 h LYS 306 CO 1.45 0.71 -0.19 0.87 -2.00 0.00 0.00 179.45 180.30 1ua4 h LYS 307 N 0.93 -0.50 -0.95 0.07 1.57 -1.97 -2.20 116.57 113.52 1ua4 h LYS 307 Ca 0.24 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.11 1ua4 h LYS 307 Cb 0.04 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1ua4 h LYS 307 CO -0.04 -0.30 0.61 -0.07 -0.57 0.00 0.00 179.45 179.08 1ua4 h LEU 308 N -0.57 0.99 -0.49 2.94 3.38 -1.95 -1.72 115.31 117.90 1ua4 h LEU 308 Ca -0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ua4 h LEU 308 Cb 0.43 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ua4 h LEU 308 CO 0.09 0.64 0.27 0.00 0.09 0.00 0.00 178.44 179.53 1ua4 h ALA 309 N 1.43 0.63 -0.64 1.53 0.00 -1.25 -0.84 119.26 120.11 1ua4 h ALA 309 Ca 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1ua4 h ALA 309 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ua4 h ALA 309 CO -0.16 -0.05 0.21 0.87 0.00 0.00 0.00 179.25 180.12 1ua4 h LYS 310 N 0.54 0.99 -0.44 0.00 1.79 -0.73 -2.78 116.57 115.95 1ua4 h LYS 310 Ca 0.20 -0.21 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1ua4 h LYS 310 Cb 0.06 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1ua4 h LYS 310 CO -0.11 0.87 -0.03 0.93 -1.08 0.00 0.00 179.45 180.02 1ua4 h GLU 311 N 0.92 0.74 0.00 3.15 5.08 -0.95 -2.04 114.58 121.49 1ua4 h GLU 311 Ca 0.21 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ua4 h GLU 311 Cb 0.29 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1ua4 h GLU 311 CO -0.01 0.77 0.00 1.28 -1.00 0.00 0.00 179.01 180.06 1ua4 n LEU 312 N -4.21 0.00 -0.47 1.33 4.77 -0.35 -2.31 117.00 115.75 1ua4 n LEU 312 Ca 0.02 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.42 1ua4 n LEU 312 Cb 0.31 -0.38 0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1ua4 n LEU 312 CO 0.41 -0.16 0.54 0.18 -1.33 0.00 0.00 177.39 177.03 1ua4 n LEU 313 N -1.38 2.46 0.00 2.23 4.77 -0.78 -4.41 117.00 119.89 1ua4 n LEU 313 Ca 0.06 -1.70 -0.27 0.00 -0.03 0.00 0.00 56.01 54.07 1ua4 n LEU 313 Cb 0.16 -0.13 0.20 0.00 -2.33 0.00 0.00 43.42 41.32 1ua4 n LEU 313 CO 0.14 0.59 0.75 0.00 -1.33 0.00 0.00 177.39 177.54 1ua4 n ALA 314 N 0.38 -1.82 -1.31 -1.18 0.00 -0.98 -5.02 120.51 110.59 1ua4 n ALA 314 Ca 0.08 -1.57 -0.33 0.00 0.00 0.00 0.00 53.44 51.62 1ua4 n ALA 314 Cb 0.34 -0.09 0.09 0.00 0.00 0.00 0.00 19.45 19.80 1ua4 n ALA 314 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ua4 s HIS 315 N -3.47 2.13 0.33 0.00 -3.43 -1.26 -4.72 115.29 104.88 1ua4 s HIS 315 Ca 0.68 1.61 -0.28 0.00 -0.80 0.00 0.00 55.06 56.28 1ua4 s HIS 315 Cb -0.03 -3.38 -0.09 0.00 -1.43 0.00 0.00 32.58 27.65 1ua4 s HIS 315 CO 0.49 -2.42 1.15 -0.51 -2.00 0.00 0.00 174.74 171.45 1ua4 s ASP 316 N -2.27 6.93 -0.07 7.38 -0.00 -1.26 -3.36 116.67 124.01 1ua4 s ASP 316 Ca 0.71 2.34 -0.18 0.00 -0.00 0.00 0.00 52.55 55.43 1ua4 s ASP 316 Cb -0.26 -2.62 -0.05 0.00 -0.00 0.00 0.00 42.92 39.99 1ua4 s ASP 316 CO 0.46 -0.39 0.50 -2.16 -0.00 0.00 0.00 175.17 173.58 1ua4 s PRO 317 N -1.84 4.27 0.66 8.23 0.04 -1.26 -5.12 135.00 139.98 1ua4 s PRO 317 Ca 0.50 0.52 -0.18 0.00 0.04 0.00 0.00 61.00 61.88 1ua4 s PRO 317 Cb -0.32 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 30.83 1ua4 s PRO 317 CO 0.41 0.29 1.23 1.33 0.04 0.00 0.00 177.00 180.30 1ua4 n VAL 318 N 3.17 4.53 -1.68 -0.36 0.24 -1.21 -4.84 118.33 118.17 1ua4 n VAL 318 Ca -0.08 -0.48 -0.47 0.00 -2.04 0.00 0.00 64.34 61.27 1ua4 n VAL 318 Cb 0.52 -1.41 -0.04 0.00 -1.47 0.00 0.00 33.84 31.43 1ua4 n VAL 318 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1ua4 n ASP 319 N -1.84 3.43 0.23 -1.34 -0.08 -1.26 -4.89 116.55 110.80 1ua4 n ASP 319 Ca 0.15 1.00 0.09 0.00 -1.51 0.00 0.00 54.79 54.52 1ua4 n ASP 319 Cb 0.48 -1.40 0.56 0.00 2.34 0.00 0.00 41.12 43.09 1ua4 n ASP 319 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ua4 h PRO 320 N 8.43 0.00 -0.10 -0.67 0.13 -1.90 -2.18 132.00 135.70 1ua4 h PRO 320 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 1ua4 h PRO 320 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 1ua4 h PRO 320 CO 0.93 0.22 -0.45 0.82 -0.23 0.00 0.00 178.00 179.29 1ua4 h ILE 321 N 0.00 1.37 -0.77 -3.56 1.08 -1.94 -0.53 117.51 113.17 1ua4 h ILE 321 Ca -0.00 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.69 1ua4 h ILE 321 Cb 0.50 2.19 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 1ua4 h ILE 321 CO 0.03 0.53 0.49 0.00 -0.69 0.00 0.00 178.15 178.51 1ua4 h ALA 322 N 0.48 0.97 -0.21 1.87 0.00 -1.92 0.46 119.26 120.91 1ua4 h ALA 322 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ua4 h ALA 322 Cb 1.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ua4 h ALA 322 CO 0.09 0.41 0.08 0.28 0.00 0.00 0.00 179.25 180.12 1ua4 h VAL 323 N 1.04 1.17 -0.85 0.00 2.07 -1.33 -0.81 116.25 117.54 1ua4 h VAL 323 Ca 0.28 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ua4 h VAL 323 Cb -0.08 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1ua4 h VAL 323 CO -0.06 0.17 0.54 0.74 0.02 0.00 0.00 177.57 178.98 1ua4 h THR 324 N 0.18 1.23 -0.37 2.57 2.02 -0.63 0.68 112.91 118.58 1ua4 h THR 324 Ca 0.07 -0.46 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1ua4 h THR 324 Cb 0.19 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1ua4 h THR 324 CO -0.00 0.23 -0.12 -0.33 0.37 0.00 0.00 175.52 175.67 1ua4 h GLU 325 N 1.16 0.66 -0.50 6.66 5.08 -0.76 -0.88 114.58 125.99 1ua4 h GLU 325 Ca 0.31 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1ua4 h GLU 325 Cb -0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1ua4 h GLU 325 CO -0.06 0.76 0.03 0.00 -1.00 0.00 0.00 179.01 178.74 1ua4 h ALA 326 N 1.27 0.67 -0.63 3.43 0.00 -0.31 -2.08 119.26 121.62 1ua4 h ALA 326 Ca 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1ua4 h ALA 326 Cb 0.56 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ua4 h ALA 326 CO 0.03 0.46 0.10 0.52 0.00 0.00 0.00 179.25 180.37 1ua4 h MET 327 N 0.74 1.02 -0.74 0.00 2.86 -0.52 -1.80 114.93 116.49 1ua4 h MET 327 Ca 0.15 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1ua4 h MET 327 Cb 0.48 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1ua4 h MET 327 CO 0.02 0.93 0.40 -0.07 1.06 0.00 0.00 176.91 179.26 1ua4 h LEU 328 N 0.96 0.93 -0.63 1.22 3.38 -0.92 -0.20 115.31 120.04 1ua4 h LEU 328 Ca 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1ua4 h LEU 328 Cb 0.41 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1ua4 h LEU 328 CO 0.01 0.76 0.26 0.11 0.09 0.00 0.00 178.44 179.68 1ua4 h LYS 329 N 1.02 0.94 -0.50 1.13 1.79 -1.07 -1.21 116.57 118.68 1ua4 h LYS 329 Ca 0.26 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 1ua4 h LYS 329 Cb 0.04 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1ua4 h LYS 329 CO -0.04 0.78 0.17 1.25 -1.08 0.00 0.00 179.45 180.53 1ua4 h LEU 330 N 0.88 0.72 -0.26 2.94 5.85 -0.87 -1.62 115.31 122.95 1ua4 h LEU 330 Ca 0.21 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ua4 h LEU 330 Cb 0.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1ua4 h LEU 330 CO -0.02 0.72 0.05 0.00 -0.34 0.00 0.00 178.44 178.85 1ua4 h ALA 331 N 1.02 0.34 -0.85 1.25 0.00 -0.82 -1.81 119.26 118.39 1ua4 h ALA 331 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ua4 h ALA 331 Cb 0.26 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1ua4 h ALA 331 CO -0.01 0.02 0.44 0.87 0.00 0.00 0.00 179.25 180.57 1ua4 h LYS 332 N 0.24 1.20 -0.22 0.00 1.57 -1.16 0.20 116.57 118.39 1ua4 h LYS 332 Ca 0.08 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1ua4 h LYS 332 Cb 0.32 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1ua4 h LYS 332 CO 0.00 0.90 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.55 1ua4 h LYS 333 N 1.19 0.41 0.00 3.15 1.63 -1.20 -3.38 116.57 118.37 1ua4 h LYS 333 Ca 0.29 -0.14 -0.37 0.00 -0.85 0.00 0.00 60.65 59.59 1ua4 h LYS 333 Cb 0.07 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.60 1ua4 h LYS 333 CO -0.04 0.60 -2.38 0.25 -3.45 0.00 0.00 179.45 174.43 1ua4 n THR 334 N -4.64 1.44 -0.54 1.00 -2.24 -0.69 -5.01 114.28 103.60 1ua4 n THR 334 Ca -0.04 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1ua4 n THR 334 Cb 0.25 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1ua4 n THR 334 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ua4 n GLY 335 N 1.92 0.71 3.77 3.38 0.00 0.68 -3.34 105.19 112.30 1ua4 n GLY 335 Ca -0.37 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1ua4 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ua4 s VAL 336 N -2.00 2.72 -0.01 1.61 0.11 -1.26 -4.82 120.40 116.76 1ua4 s VAL 336 Ca 0.00 0.62 0.11 0.00 -2.93 0.00 0.00 61.98 59.79 1ua4 s VAL 336 Cb 0.00 -3.36 -0.15 0.00 -1.53 0.00 0.00 36.38 31.34 1ua4 s VAL 336 CO 0.00 0.07 1.10 0.11 -3.33 0.00 0.00 175.10 173.05 1ua4 h LYS 337 N 2.54 0.00 -3.60 1.54 1.57 -1.57 -3.46 116.57 113.60 1ua4 h LYS 337 Ca -0.49 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1ua4 h LYS 337 Cb 1.25 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.22 1ua4 h LYS 337 CO 0.62 0.68 -0.73 0.50 -0.57 0.00 0.00 179.45 179.94 1ua4 s ARG 338 N -2.76 0.06 -0.20 3.15 3.52 -0.21 -1.77 118.95 120.74 1ua4 s ARG 338 Ca -0.00 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 1ua4 s ARG 338 Cb 0.09 -0.30 0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1ua4 s ARG 338 CO 0.81 -0.15 -0.11 0.42 -0.81 0.00 0.00 175.30 175.46 1ua4 s ILE 339 N 0.99 1.67 -0.38 4.11 1.01 -0.23 -0.89 121.20 127.48 1ua4 s ILE 339 Ca -0.09 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.48 1ua4 s ILE 339 Cb -0.12 -1.72 0.05 0.00 0.01 0.00 0.00 42.46 40.67 1ua4 s ILE 339 CO -0.02 0.20 0.19 -2.28 0.00 0.00 0.00 174.94 173.03 1ua4 s HIS 340 N 1.39 3.28 -0.11 3.97 2.46 0.12 -1.41 115.29 124.99 1ua4 s HIS 340 Ca -0.01 -1.31 -0.11 0.00 0.47 0.00 0.00 55.06 54.10 1ua4 s HIS 340 Cb -0.16 -2.55 -0.05 0.00 -0.13 0.00 0.00 32.58 29.69 1ua4 s HIS 340 CO -0.08 -0.74 0.25 0.12 -2.47 0.00 0.00 174.74 171.81 1ua4 s PHE 341 N 1.46 3.58 0.00 3.88 5.36 0.60 -1.94 117.98 130.92 1ua4 s PHE 341 Ca 0.01 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.66 1ua4 s PHE 341 Cb -0.21 -2.16 -0.01 0.00 -0.34 0.00 0.00 43.02 40.31 1ua4 s PHE 341 CO 0.04 0.54 -0.09 -3.38 -1.46 0.00 0.00 175.22 170.86 1ua4 s HIS 342 N -0.50 0.84 0.20 10.12 -3.43 -0.55 -1.18 115.29 120.78 1ua4 s HIS 342 Ca 0.17 -0.20 -0.02 0.00 -0.80 0.00 0.00 55.06 54.21 1ua4 s HIS 342 Cb -0.13 -0.53 0.01 0.00 -1.43 0.00 0.00 32.58 30.50 1ua4 s HIS 342 CO 0.06 -0.01 0.31 -2.37 -2.00 0.00 0.00 174.74 170.72 1ua4 n THR 343 N 2.66 0.00 -2.55 -5.38 5.66 -1.02 -3.70 114.28 109.95 1ua4 n THR 343 Ca -0.15 -0.92 -0.41 0.00 -3.05 0.00 0.00 64.05 59.52 1ua4 n THR 343 Cb 0.57 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 69.92 1ua4 n THR 343 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1ua4 s TYR 344 N -4.08 2.30 0.00 1.09 5.04 -1.26 -3.61 117.35 116.83 1ua4 s TYR 344 Ca 0.15 -0.13 0.00 0.00 -2.44 0.00 0.00 57.07 54.65 1ua4 s TYR 344 Cb -0.01 -4.64 0.00 0.00 0.35 0.00 0.00 41.96 37.66 1ua4 s TYR 344 CO 0.11 -2.07 0.00 0.41 -1.34 0.00 0.00 175.55 172.66 1ua4 n GLY 345 N 5.53 1.38 3.54 8.97 0.00 -1.26 -4.58 105.19 118.77 1ua4 n GLY 345 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1ua4 n GLY 345 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ua4 s TYR 346 N -1.15 -0.27 0.22 1.61 1.13 -1.24 -2.08 117.35 115.57 1ua4 s TYR 346 Ca 0.00 0.16 0.10 0.00 -1.41 0.00 0.00 57.07 55.92 1ua4 s TYR 346 Cb 0.00 0.53 -0.05 0.00 -1.10 0.00 0.00 41.96 41.35 1ua4 s TYR 346 CO 0.00 -0.44 -0.19 0.71 -2.51 0.00 0.00 175.55 173.12 1ua4 s TYR 347 N -2.90 2.04 0.04 -3.49 2.02 -1.03 -2.42 117.35 111.60 1ua4 s TYR 347 Ca 0.07 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 1ua4 s TYR 347 Cb -0.01 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.58 1ua4 s TYR 347 CO -0.07 0.50 -0.07 -0.51 -1.57 0.00 0.00 175.55 173.83 1ua4 s LEU 348 N -3.12 2.26 -0.08 -1.29 1.43 -0.33 -2.60 118.68 114.95 1ua4 s LEU 348 Ca 0.23 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1ua4 s LEU 348 Cb -0.05 -0.12 0.04 0.00 0.03 0.00 0.00 46.19 46.10 1ua4 s LEU 348 CO 0.10 -0.23 0.11 0.00 0.23 0.00 0.00 176.35 176.56 1ua4 s ALA 349 N -1.45 0.09 -0.22 4.21 0.00 0.16 -0.29 121.76 124.25 1ua4 s ALA 349 Ca -0.10 0.28 -0.07 0.00 0.00 0.00 0.00 51.96 52.06 1ua4 s ALA 349 Cb -0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1ua4 s ALA 349 CO 0.00 -0.62 0.06 -1.17 0.00 0.00 0.00 175.76 174.03 1ua4 s LEU 350 N 2.22 3.51 0.04 0.00 2.96 -0.50 -0.65 118.68 126.26 1ua4 s LEU 350 Ca 0.04 -0.13 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1ua4 s LEU 350 Cb -0.13 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1ua4 s LEU 350 CO -0.05 0.04 -0.11 0.42 -1.32 0.00 0.00 176.35 175.32 1ua4 s THR 351 N 1.19 0.87 -1.03 3.68 -4.23 -0.68 -1.07 115.64 114.37 1ua4 s THR 351 Ca 0.04 -1.03 0.26 0.00 -1.18 0.00 0.00 61.69 59.78 1ua4 s THR 351 Cb -0.14 -0.84 0.23 0.00 1.34 0.00 0.00 72.50 73.09 1ua4 s THR 351 CO 0.03 -0.17 1.83 -1.84 -0.54 0.00 0.00 174.62 173.94 1ua4 n GLU 352 N 1.70 0.03 -4.30 3.99 0.28 -0.73 -0.77 120.64 120.83 1ua4 n GLU 352 Ca -0.20 0.05 -0.26 0.00 -0.16 0.00 0.00 57.16 56.59 1ua4 n GLU 352 Cb 0.55 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.84 1ua4 n GLU 352 CO 0.00 0.00 0.00 1.52 -0.16 0.00 0.00 177.13 178.49 1ua4 s TYR 353 N -2.97 2.46 0.33 -1.84 -0.85 -1.26 -4.82 117.35 108.41 1ua4 s TYR 353 Ca 0.13 -0.66 0.09 0.00 -0.52 0.00 0.00 57.07 56.12 1ua4 s TYR 353 Cb 0.17 -1.88 -0.05 0.00 0.38 0.00 0.00 41.96 40.58 1ua4 s TYR 353 CO 0.47 0.22 0.02 0.15 -1.52 0.00 0.00 175.55 174.88 1ua4 s LYS 354 N -3.87 2.10 0.00 -3.49 1.02 -1.26 -4.26 119.74 109.98 1ua4 s LYS 354 Ca 0.36 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1ua4 s LYS 354 Cb 0.05 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.40 1ua4 s LYS 354 CO 0.20 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1ua4 n GLY 355 N -0.96 4.30 0.24 -3.33 0.00 -1.26 -4.95 105.19 99.23 1ua4 n GLY 355 Ca -0.04 -0.60 0.16 0.00 0.00 0.00 0.00 46.02 45.54 1ua4 n GLY 355 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ua4 h GLU 356 N 0.00 0.00 0.00 1.61 5.08 -2.01 -2.62 114.58 116.64 1ua4 h GLU 356 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ua4 h GLU 356 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ua4 h GLU 356 CO 0.00 0.00 -0.03 1.12 -1.00 0.00 0.00 179.01 179.10 1ua4 h HIS 357 N 0.00 0.00 -0.05 4.33 2.07 -1.97 -0.86 115.15 118.67 1ua4 h HIS 357 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1ua4 h HIS 357 Cb 0.35 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.32 1ua4 h HIS 357 CO 0.00 0.03 -0.02 0.28 -3.07 0.00 0.00 177.93 175.16 1ua4 h VAL 358 N 0.00 1.31 -0.54 6.12 2.07 -1.84 -1.81 116.25 121.56 1ua4 h VAL 358 Ca -0.00 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1ua4 h VAL 358 Cb 0.20 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1ua4 h VAL 358 CO 0.00 0.26 0.13 -0.09 0.02 0.00 0.00 177.57 177.90 1ua4 h ARG 359 N -0.25 0.87 -0.35 1.57 2.43 -1.51 -2.57 114.38 114.56 1ua4 h ARG 359 Ca 0.01 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1ua4 h ARG 359 Cb 0.43 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1ua4 h ARG 359 CO 0.01 0.82 0.01 -0.44 -1.51 0.00 0.00 179.97 178.85 1ua4 h ASP 360 N 0.76 0.50 0.19 -3.80 3.32 -1.17 -1.39 116.42 114.84 1ua4 h ASP 360 Ca 0.17 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 1ua4 h ASP 360 Cb 0.34 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1ua4 h ASP 360 CO 0.00 0.56 -0.39 0.00 -1.72 0.00 0.00 179.24 177.69 1ua4 h ALA 361 N 1.50 1.10 -0.57 3.45 0.00 -1.17 -1.52 119.26 122.05 1ua4 h ALA 361 Ca 0.11 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 1ua4 h ALA 361 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ua4 h ALA 361 CO 0.01 0.58 0.05 -0.07 0.00 0.00 0.00 179.25 179.82 1ua4 h LEU 362 N 0.23 0.95 -0.67 0.00 3.38 -0.89 -1.49 115.31 116.81 1ua4 h LEU 362 Ca 0.02 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1ua4 h LEU 362 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ua4 h LEU 362 CO 0.06 0.99 0.30 -0.07 0.09 0.00 0.00 178.44 179.82 1ua4 h LEU 363 N 0.87 0.90 -0.38 1.67 3.38 -0.87 -0.39 115.31 120.49 1ua4 h LEU 363 Ca 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ua4 h LEU 363 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ua4 h LEU 363 CO 0.02 0.80 0.23 0.15 0.09 0.00 0.00 178.44 179.73 1ua4 h PHE 364 N 0.94 0.50 -0.63 1.13 3.57 -1.07 -2.35 116.94 119.03 1ua4 h PHE 364 Ca 0.23 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1ua4 h PHE 364 Cb 0.16 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1ua4 h PHE 364 CO 0.01 0.35 0.27 0.00 -2.23 0.00 0.00 178.31 176.71 1ua4 h ALA 365 N 1.11 1.28 -0.54 2.41 0.00 -0.86 -1.96 119.26 120.69 1ua4 h ALA 365 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ua4 h ALA 365 Cb -0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ua4 h ALA 365 CO -0.03 0.54 0.11 0.00 0.00 0.00 0.00 179.25 179.88 1ua4 h ALA 366 N 1.39 1.18 -0.45 0.00 0.00 -0.74 0.77 119.26 121.40 1ua4 h ALA 366 Ca 0.22 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ua4 h ALA 366 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ua4 h ALA 366 CO -0.02 0.55 -0.21 -0.07 0.00 0.00 0.00 179.25 179.50 1ua4 h LEU 367 N 0.81 0.97 -0.72 0.00 3.38 -0.94 -1.63 115.31 117.17 1ua4 h LEU 367 Ca 0.17 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1ua4 h LEU 367 Cb 0.32 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1ua4 h LEU 367 CO 0.00 1.16 0.26 0.00 0.09 0.00 0.00 178.44 179.95 1ua4 h ALA 368 N 0.85 0.94 -0.55 1.53 0.00 -0.88 -1.68 119.26 119.47 1ua4 h ALA 368 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ua4 h ALA 368 Cb 0.79 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ua4 h ALA 368 CO 0.07 0.59 0.35 0.00 0.00 0.00 0.00 179.25 180.26 1ua4 h ALA 369 N 1.13 0.70 -0.23 0.00 0.00 -0.64 -0.68 119.26 119.53 1ua4 h ALA 369 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ua4 h ALA 369 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ua4 h ALA 369 CO -0.01 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.54 1ua4 h ALA 370 N 1.18 0.30 -0.56 0.00 0.00 -0.94 -0.02 119.26 119.21 1ua4 h ALA 370 Ca 0.20 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ua4 h ALA 370 Cb -0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ua4 h ALA 370 CO -0.04 -0.19 0.34 0.00 0.00 0.00 0.00 179.25 179.35 1ua4 h ALA 371 N 1.04 0.72 -0.67 0.00 0.00 -1.03 -1.90 119.26 117.43 1ua4 h ALA 371 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ua4 h ALA 371 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1ua4 h ALA 371 CO -0.02 0.06 0.25 -0.22 0.00 0.00 0.00 179.25 179.32 1ua4 h LYS 372 N 0.67 1.00 -0.22 0.00 1.63 -0.84 -2.33 116.57 116.48 1ua4 h LYS 372 Ca 0.23 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 1ua4 h LYS 372 Cb 0.03 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 1ua4 h LYS 372 CO -0.10 0.83 -0.21 0.00 -3.45 0.00 0.00 179.45 176.52 1ua4 h ALA 373 N 1.29 1.24 -0.00 5.00 0.00 -0.48 0.11 119.26 126.42 1ua4 h ALA 373 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ua4 h ALA 373 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ua4 h ALA 373 CO -0.02 0.50 -0.04 0.52 0.00 0.00 0.00 179.25 180.21 1ua4 h MET 374 N 0.35 0.04 -0.02 0.00 2.86 -0.99 -0.76 114.93 116.41 1ua4 h MET 374 Ca 0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1ua4 h MET 374 Cb 0.57 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ua4 h MET 374 CO 0.04 0.74 -0.08 1.63 1.06 0.00 0.00 176.91 180.30 1ua4 n LYS 375 N -4.71 1.69 0.00 1.72 5.02 -0.91 -4.37 118.16 116.61 1ua4 n LYS 375 Ca -0.09 -1.51 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 1ua4 n LYS 375 Cb 0.37 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 1ua4 n LYS 375 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ua4 n GLY 376 N 1.14 2.31 3.30 0.72 0.00 0.40 -4.85 105.19 108.21 1ua4 n GLY 376 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1ua4 n GLY 376 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ua4 s ASN 377 N -0.04 -0.42 0.03 1.61 6.03 -1.26 -4.94 114.94 115.96 1ua4 s ASN 377 Ca 0.00 0.79 -0.17 0.00 -1.03 0.00 0.00 52.86 52.45 1ua4 s ASN 377 Cb 0.00 0.81 -0.06 0.00 -3.03 0.00 0.00 41.25 38.97 1ua4 s ASN 377 CO 0.00 -0.16 0.48 -0.63 -2.03 0.00 0.00 177.10 174.76 1ua4 s ILE 378 N 0.15 4.90 -0.15 0.54 1.01 -1.26 -4.88 121.20 121.51 1ua4 s ILE 378 Ca -0.01 1.00 0.06 0.00 0.00 0.00 0.00 60.65 61.71 1ua4 s ILE 378 Cb -0.03 -3.79 -0.14 0.00 0.01 0.00 0.00 42.46 38.51 1ua4 s ILE 378 CO 0.01 0.57 -0.06 0.41 0.00 0.00 0.00 174.94 175.87 1ua4 n THR 379 N 1.78 0.94 -3.86 2.92 -1.04 -1.26 -4.92 114.28 108.84 1ua4 n THR 379 Ca -0.12 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.05 61.33 1ua4 n THR 379 Cb 0.52 -0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 68.10 1ua4 n THR 379 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ua4 s SER 380 N -5.16 -0.16 0.50 8.00 1.04 -1.26 -4.79 113.70 111.87 1ua4 s SER 380 Ca -0.15 -0.69 0.25 0.00 0.48 0.00 0.00 55.95 55.84 1ua4 s SER 380 Cb 0.05 0.57 1.32 0.00 0.10 0.00 0.00 66.02 68.06 1ua4 s SER 380 CO 0.46 -1.07 2.03 -0.07 0.98 0.00 0.00 173.24 175.57 1ua4 h LEU 381 N 2.26 0.00 -0.61 2.42 3.38 -1.99 -2.45 115.31 118.32 1ua4 h LEU 381 Ca -0.28 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1ua4 h LEU 381 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1ua4 h LEU 381 CO 0.37 0.15 0.25 -0.33 0.09 0.00 0.00 178.44 178.97 1ua4 h GLU 382 N 0.00 0.92 -0.36 1.13 4.39 -1.97 -1.52 114.58 117.16 1ua4 h GLU 382 Ca -0.00 -0.16 0.05 0.00 0.34 0.00 0.00 59.36 59.59 1ua4 h GLU 382 Cb 0.38 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1ua4 h GLU 382 CO 0.02 0.78 0.24 0.93 -1.16 0.00 0.00 179.01 179.82 1ua4 h GLU 383 N 0.85 0.26 -0.24 2.33 5.08 -1.85 0.11 114.58 121.13 1ua4 h GLU 383 Ca 0.20 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1ua4 h GLU 383 Cb 0.20 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ua4 h GLU 383 CO -0.02 0.17 -0.39 0.82 -1.00 0.00 0.00 179.01 178.59 1ua4 h ILE 384 N 0.26 1.31 -0.60 3.13 2.04 -1.34 -2.85 117.51 119.46 1ua4 h ILE 384 Ca 0.16 -1.59 -0.06 0.00 1.00 0.00 0.00 64.86 64.36 1ua4 h ILE 384 Cb 0.29 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1ua4 h ILE 384 CO -0.03 0.50 0.14 -0.09 0.00 0.00 0.00 178.15 178.68 1ua4 h ARG 385 N 0.39 0.94 0.00 2.37 2.43 -0.22 -2.41 114.38 117.87 1ua4 h ARG 385 Ca 0.02 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1ua4 h ARG 385 Cb 0.98 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1ua4 h ARG 385 CO 0.09 0.84 -0.08 0.93 -1.51 0.00 0.00 179.97 180.23 1ua4 h GLU 386 N 0.90 0.00 0.00 0.20 5.08 -0.75 -2.50 114.58 117.51 1ua4 h GLU 386 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ua4 h GLU 386 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ua4 h GLU 386 CO -0.00 0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.09 1ua4 n ALA 387 N -2.44 1.41 0.32 3.43 0.00 -0.91 -2.61 120.51 119.72 1ua4 n ALA 387 Ca -0.03 -0.03 0.21 0.00 0.00 0.00 0.00 53.44 53.59 1ua4 n ALA 387 Cb 0.16 -1.12 1.04 0.00 0.00 0.00 0.00 19.45 19.54 1ua4 n ALA 387 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ua4 h THR 388 N 0.00 0.03 0.00 0.00 1.35 -1.60 -0.97 112.91 111.72 1ua4 h THR 388 Ca 0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1ua4 h THR 388 Cb 0.10 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1ua4 h THR 388 CO 0.00 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 1ua4 h SER 389 N 0.00 0.00 -2.90 5.36 4.64 -1.77 -3.43 113.55 115.46 1ua4 h SER 389 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1ua4 h SER 389 Cb 0.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1ua4 h SER 389 CO 0.00 0.00 0.88 -0.69 -0.87 0.00 0.00 176.83 176.15 1ua4 s VAL 390 N -3.27 4.09 0.58 0.95 1.01 -0.37 -4.97 120.40 118.41 1ua4 s VAL 390 Ca 0.06 1.36 -0.20 0.00 0.00 0.00 0.00 61.98 63.20 1ua4 s VAL 390 Cb 0.10 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1ua4 s VAL 390 CO 0.49 -0.08 1.29 -2.84 0.00 0.00 0.00 175.10 173.96 1ua4 s PRO 391 N 3.18 2.96 0.22 2.72 0.02 -1.26 -4.82 135.00 138.02 1ua4 s PRO 391 Ca 0.59 2.07 -0.30 0.00 0.02 0.00 0.00 61.00 63.38 1ua4 s PRO 391 Cb -0.25 -2.07 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 1ua4 s PRO 391 CO 0.20 -1.28 1.23 0.08 -0.33 0.00 0.00 177.00 176.90 1ua4 s VAL 392 N -1.41 3.34 0.39 3.83 1.01 -1.26 -3.58 120.40 122.72 1ua4 s VAL 392 Ca 0.76 1.17 -0.27 0.00 0.00 0.00 0.00 61.98 63.65 1ua4 s VAL 392 Cb -0.37 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 1ua4 s VAL 392 CO 0.41 0.21 1.32 0.54 0.00 0.00 0.00 175.10 177.58 1ua4 s ASN 393 N -0.05 6.38 0.15 3.32 4.22 -0.41 -4.93 114.94 123.62 1ua4 s ASN 393 Ca 0.52 2.69 -0.14 0.00 -2.14 0.00 0.00 52.86 53.79 1ua4 s ASN 393 Cb -0.35 -2.64 0.03 0.00 1.28 0.00 0.00 41.25 39.57 1ua4 s ASN 393 CO 0.40 -0.81 1.70 -0.33 -2.04 0.00 0.00 177.10 176.02 1ua4 h GLU 394 N 2.80 0.73 -0.08 3.55 4.39 -1.92 -3.06 114.58 120.99 1ua4 h GLU 394 Ca -0.50 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 59.09 1ua4 h GLU 394 Cb 1.24 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1ua4 h GLU 394 CO 0.63 0.66 0.16 0.87 -1.16 0.00 0.00 179.01 180.17 1ua4 h LYS 395 N 0.64 0.00 0.00 2.33 1.57 -1.96 -1.31 116.57 117.84 1ua4 h LYS 395 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ua4 h LYS 395 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1ua4 h LYS 395 CO -0.01 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 1ua4 h ALA 396 N 1.76 1.00 -0.12 3.86 0.00 -1.79 -2.99 119.26 120.98 1ua4 h ALA 396 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ua4 h ALA 396 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ua4 h ALA 396 CO -0.00 0.00 0.07 1.15 0.00 0.00 0.00 179.25 180.47 1ua4 h THR 397 N 0.00 1.06 -0.32 0.00 2.02 -1.43 -0.15 112.91 114.08 1ua4 h THR 397 Ca 0.00 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1ua4 h THR 397 Cb 0.32 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1ua4 h THR 397 CO 0.00 0.06 -0.16 1.56 0.37 0.00 0.00 175.52 177.35 1ua4 h GLN 398 N 0.13 0.58 -0.34 6.66 7.50 -1.73 -1.94 115.11 125.97 1ua4 h GLN 398 Ca 0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 58.65 58.98 1ua4 h GLN 398 Cb 0.03 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 1ua4 h GLN 398 CO -0.01 0.72 0.13 0.28 -1.50 0.00 0.00 178.83 178.45 1ua4 h VAL 399 N 0.52 1.19 -0.79 -0.54 2.07 -1.46 -1.54 116.25 115.70 1ua4 h VAL 399 Ca 0.09 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1ua4 h VAL 399 Cb 0.58 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1ua4 h VAL 399 CO 0.04 0.20 0.39 -0.08 0.02 0.00 0.00 177.57 178.15 1ua4 h GLU 400 N 0.40 1.12 -0.66 1.57 4.81 -0.81 -2.65 114.58 118.36 1ua4 h GLU 400 Ca 0.11 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1ua4 h GLU 400 Cb 0.19 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1ua4 h GLU 400 CO -0.01 0.85 0.13 1.49 -0.73 0.00 0.00 179.01 180.74 1ua4 h GLU 401 N 1.11 1.06 -0.57 1.92 4.57 -0.95 -0.41 114.58 121.31 1ua4 h GLU 401 Ca 0.27 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1ua4 h GLU 401 Cb 0.08 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1ua4 h GLU 401 CO -0.04 0.95 0.29 0.87 -1.18 0.00 0.00 179.01 179.91 1ua4 h LYS 402 N 1.00 0.81 -0.45 1.92 1.57 -1.00 -1.24 116.57 119.18 1ua4 h LYS 402 Ca 0.20 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1ua4 h LYS 402 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1ua4 h LYS 402 CO 0.01 0.64 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.33 1ua4 h LEU 403 N 0.77 0.82 0.06 2.94 3.38 -1.15 -1.58 115.31 120.56 1ua4 h LEU 403 Ca 0.20 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ua4 h LEU 403 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1ua4 h LEU 403 CO -0.03 0.96 -0.03 -0.09 0.09 0.00 0.00 178.44 179.34 1ua4 h ARG 404 N 0.74 -0.08 -0.72 1.13 2.43 -0.75 0.23 114.38 117.37 1ua4 h ARG 404 Ca 0.12 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1ua4 h ARG 404 Cb 0.62 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.15 1ua4 h ARG 404 CO 0.04 0.13 0.47 0.00 -1.51 0.00 0.00 179.97 179.10 1ua4 h ALA 405 N 0.64 1.52 0.06 2.80 0.00 -1.17 0.52 119.26 123.63 1ua4 h ALA 405 Ca -0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1ua4 h ALA 405 Cb 0.25 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ua4 h ALA 405 CO 0.01 0.43 -0.73 1.49 0.00 0.00 0.00 179.25 180.45 1ua4 h GLU 406 N 0.94 0.13 0.00 0.00 4.57 -1.15 -3.42 114.58 115.66 1ua4 h GLU 406 Ca 0.27 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1ua4 h GLU 406 Cb -0.06 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1ua4 h GLU 406 CO -0.06 1.11 -0.29 0.66 -1.18 0.00 0.00 179.01 179.25 1ua4 n TYR 407 N -4.30 0.00 -2.19 0.92 4.01 0.79 -5.03 117.16 111.36 1ua4 n TYR 407 Ca -0.18 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.53 1ua4 n TYR 407 Cb 0.70 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.73 1ua4 n TYR 407 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ua4 n GLY 408 N 1.15 0.32 3.76 2.72 0.00 0.18 -4.43 105.19 108.90 1ua4 n GLY 408 Ca 0.01 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 1ua4 n GLY 408 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ua4 s ILE 409 N -2.35 2.45 -0.08 -0.61 -4.36 -1.25 -4.77 121.20 110.23 1ua4 s ILE 409 Ca 0.02 0.35 -0.00 0.00 -0.26 0.00 0.00 60.65 60.75 1ua4 s ILE 409 Cb -0.01 -3.18 0.02 0.00 1.25 0.00 0.00 42.46 40.54 1ua4 s ILE 409 CO 0.02 0.01 -0.05 -0.75 0.24 0.00 0.00 174.94 174.41 1ua4 s LYS 410 N -2.74 1.09 -1.52 0.37 2.47 0.36 -4.69 119.74 115.08 1ua4 s LYS 410 Ca 0.67 -0.12 -0.14 0.00 -1.56 0.00 0.00 55.97 54.82 1ua4 s LYS 410 Cb -0.37 -1.18 0.08 0.00 -1.46 0.00 0.00 37.83 34.90 1ua4 s LYS 410 CO 0.45 -0.19 1.01 0.39 0.16 0.00 0.00 175.35 177.16 1ua4 n GLU 411 N 4.64 -5.78 -0.98 4.03 1.02 -1.26 -1.26 120.64 121.05 1ua4 n GLU 411 Ca -0.15 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1ua4 n GLU 411 Cb 0.50 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.39 1ua4 n GLU 411 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ua4 n GLY 412 N -1.73 0.68 3.12 0.62 0.00 -1.26 -4.94 105.19 101.68 1ua4 n GLY 412 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1ua4 n GLY 412 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ua4 s ILE 413 N -2.81 1.50 0.20 -0.61 1.01 -0.39 0.47 121.20 120.57 1ua4 s ILE 413 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 1ua4 s ILE 413 Cb 0.00 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1ua4 s ILE 413 CO 0.00 0.43 0.32 0.61 0.00 0.00 0.00 174.94 176.30 1ua4 n GLY 414 N 3.51 2.24 3.05 6.18 0.00 -0.26 -0.48 105.19 119.44 1ua4 n GLY 414 Ca -0.20 -1.41 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 1ua4 n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ua4 s GLU 415 N -2.33 0.66 -0.16 1.61 2.02 -1.26 -0.46 118.70 118.78 1ua4 s GLU 415 Ca 0.14 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1ua4 s GLU 415 Cb -0.01 -0.59 0.08 0.00 0.10 0.00 0.00 34.13 33.71 1ua4 s GLU 415 CO 0.10 0.15 0.29 0.54 0.02 0.00 0.00 175.26 176.36 1ua4 s VAL 416 N -0.70 -0.46 -1.40 2.63 0.11 0.17 -4.90 120.40 115.86 1ua4 s VAL 416 Ca -0.01 0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 59.13 1ua4 s VAL 416 Cb -0.06 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.30 1ua4 s VAL 416 CO 0.00 0.04 0.60 -0.62 -3.33 0.00 0.00 175.10 171.80 1ua4 n GLU 417 N 5.35 -4.15 0.00 1.54 1.02 -1.26 -1.36 120.64 121.78 1ua4 n GLU 417 Ca -0.06 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 1ua4 n GLU 417 Cb 0.50 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 1ua4 n GLU 417 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ua4 n GLY 418 N -1.35 3.15 3.87 0.62 0.00 -1.26 -5.04 105.19 105.17 1ua4 n GLY 418 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1ua4 n GLY 418 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ua4 s TYR 419 N -2.34 3.46 -0.08 1.61 2.02 -0.47 -4.83 117.35 116.73 1ua4 s TYR 419 Ca 0.00 1.17 -0.12 0.00 -0.37 0.00 0.00 57.07 57.75 1ua4 s TYR 419 Cb 0.00 -2.54 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 1ua4 s TYR 419 CO 0.00 -0.18 0.29 -1.14 -1.57 0.00 0.00 175.55 172.95 1ua4 s GLN 420 N -3.89 3.82 -0.19 -0.62 0.74 0.05 -0.66 119.66 118.91 1ua4 s GLN 420 Ca 0.53 0.15 -0.01 0.00 0.05 0.00 0.00 55.36 56.08 1ua4 s GLN 420 Cb -0.10 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.76 1ua4 s GLN 420 CO 0.31 0.63 -0.11 -1.50 -0.55 0.00 0.00 175.29 174.06 1ua4 s ILE 421 N -0.73 2.84 -0.09 -2.34 1.10 0.39 -1.69 121.20 120.68 1ua4 s ILE 421 Ca 0.19 -0.68 0.01 0.00 -0.51 0.00 0.00 60.65 59.66 1ua4 s ILE 421 Cb -0.14 -2.25 -0.02 0.00 0.15 0.00 0.00 42.46 40.20 1ua4 s ILE 421 CO 0.08 0.48 -0.11 0.00 -2.11 0.00 0.00 174.94 173.28 1ua4 s ALA 422 N 1.24 2.75 0.06 1.50 0.00 0.17 -1.10 121.76 126.38 1ua4 s ALA 422 Ca 0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.11 1ua4 s ALA 422 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 1ua4 s ALA 422 CO -0.05 0.43 -0.12 0.12 0.00 0.00 0.00 175.76 176.13 1ua4 s PHE 423 N -0.29 1.06 -0.09 0.00 2.19 0.18 -0.66 117.98 120.38 1ua4 s PHE 423 Ca 0.03 -0.44 -0.11 0.00 0.33 0.00 0.00 56.93 56.74 1ua4 s PHE 423 Cb -0.13 -0.61 0.03 0.00 -1.31 0.00 0.00 43.02 41.00 1ua4 s PHE 423 CO 0.03 0.02 0.29 0.96 1.83 0.00 0.00 175.22 178.34 1ua4 s ILE 424 N -1.20 0.01 -0.00 3.12 -4.36 -1.07 -4.36 121.20 113.33 1ua4 s ILE 424 Ca -0.03 -0.11 -0.22 0.00 -0.26 0.00 0.00 60.65 60.03 1ua4 s ILE 424 Cb -0.09 -0.44 -0.05 0.00 1.25 0.00 0.00 42.46 43.12 1ua4 s ILE 424 CO 0.02 -0.06 0.65 -2.16 0.24 0.00 0.00 174.94 173.62 1ua4 s PRO 425 N -0.16 4.38 0.44 0.37 0.04 -1.26 -2.48 135.00 136.33 1ua4 s PRO 425 Ca -0.03 0.83 0.01 0.00 0.04 0.00 0.00 61.00 61.84 1ua4 s PRO 425 Cb -0.03 -3.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1ua4 s PRO 425 CO 0.01 0.30 0.65 0.95 0.04 0.00 0.00 177.00 178.95 1ua4 s THR 426 N 0.01 4.12 -0.47 1.26 -4.23 -0.88 -4.88 115.64 110.56 1ua4 s THR 426 Ca 0.34 -0.50 -0.16 0.00 -1.18 0.00 0.00 61.69 60.18 1ua4 s THR 426 Cb -0.19 -3.52 0.06 0.00 1.34 0.00 0.00 72.50 70.20 1ua4 s THR 426 CO 0.18 -0.36 0.44 -0.54 -0.54 0.00 0.00 174.62 173.80 1ua4 s LYS 427 N -4.52 3.01 -0.18 3.99 1.02 -1.26 -1.29 119.74 120.51 1ua4 s LYS 427 Ca 0.47 -1.20 -0.17 0.00 0.02 0.00 0.00 55.97 55.09 1ua4 s LYS 427 Cb -0.10 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.07 1ua4 s LYS 427 CO 0.38 -1.03 0.46 0.42 -0.92 0.00 0.00 175.35 174.65 1ua4 s ILE 428 N 1.87 5.16 -0.11 2.17 -1.09 -1.23 -4.53 121.20 123.43 1ua4 s ILE 428 Ca 0.07 0.85 -0.28 0.00 -2.23 0.00 0.00 60.65 59.06 1ua4 s ILE 428 Cb -0.22 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1ua4 s ILE 428 CO 0.08 0.24 0.93 -0.69 -1.23 0.00 0.00 174.94 174.27 1ua4 s VAL 429 N 1.27 4.84 0.15 2.92 1.01 -1.26 -4.77 120.40 124.57 1ua4 s VAL 429 Ca 0.22 1.87 -0.16 0.00 0.00 0.00 0.00 61.98 63.92 1ua4 s VAL 429 Cb -0.15 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1ua4 s VAL 429 CO 0.09 0.04 1.80 0.00 0.00 0.00 0.00 175.10 177.03 1ua4 h ALA 430 N 7.11 0.49 -2.79 5.51 0.00 -1.99 -3.34 119.26 124.25 1ua4 h ALA 430 Ca -0.32 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.97 1ua4 h ALA 430 Cb 1.15 -0.11 -0.41 0.00 0.00 0.00 0.00 17.79 18.42 1ua4 h ALA 430 CO 0.83 -0.11 -0.65 1.63 0.00 0.00 0.00 179.25 180.96 1ua4 n LYS 431 N -4.87 1.72 -2.28 0.00 4.76 -1.26 -5.04 118.16 111.19 1ua4 n LYS 431 Ca 0.01 -4.32 -0.34 0.00 -2.87 0.00 0.00 58.31 50.79 1ua4 n LYS 431 Cb 0.06 -2.17 -0.00 0.00 -1.84 0.00 0.00 35.03 31.08 1ua4 n LYS 431 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ua4 s PRO 432 N -1.46 3.43 -0.02 1.97 0.04 -1.26 -4.89 135.00 132.81 1ua4 s PRO 432 Ca 0.29 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1ua4 s PRO 432 Cb 0.01 -2.03 -0.21 0.00 0.04 0.00 0.00 34.50 32.31 1ua4 s PRO 432 CO -0.14 -0.77 1.12 -0.22 0.04 0.00 0.00 177.00 177.03 1ua4 h LYS 433 N 1.16 0.28 -3.07 4.56 3.64 -1.33 -3.48 116.57 118.32 1ua4 h LYS 433 Ca -0.49 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 58.69 1ua4 h LYS 433 Cb 1.25 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 1ua4 h LYS 433 CO 0.57 0.92 0.19 -1.54 -2.27 0.00 0.00 179.45 177.33 1ua4 s SER 434 N -6.38 -0.26 -0.02 4.20 1.04 -1.26 -5.03 113.70 105.99 1ua4 s SER 434 Ca -0.15 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 55.74 1ua4 s SER 434 Cb 0.03 0.71 -0.11 0.00 0.10 0.00 0.00 66.02 66.75 1ua4 s SER 434 CO 0.76 -1.31 0.14 0.35 0.98 0.00 0.00 173.24 174.17 1ua4 n THR 435 N -0.45 0.06 -1.70 2.02 -2.24 -1.26 -4.74 114.28 105.98 1ua4 n THR 435 Ca -0.04 -0.18 -0.44 0.00 -2.27 0.00 0.00 64.05 61.12 1ua4 n THR 435 Cb 0.60 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.98 1ua4 n THR 435 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1ua4 n VAL 436 N -1.81 0.54 0.00 2.28 3.14 -1.26 -2.19 118.33 119.02 1ua4 n VAL 436 Ca -0.03 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1ua4 n VAL 436 Cb 0.25 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 31.34 1ua4 n VAL 436 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ua4 n GLY 437 N 2.82 2.16 0.33 7.55 0.00 -1.26 -4.89 105.19 111.89 1ua4 n GLY 437 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1ua4 n GLY 437 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ua4 h ILE 438 N 0.00 1.26 -0.95 -0.61 2.04 -1.81 -2.08 117.51 115.37 1ua4 h ILE 438 Ca 0.00 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1ua4 h ILE 438 Cb 0.00 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1ua4 h ILE 438 CO 0.00 0.38 0.62 1.23 0.00 0.00 0.00 178.15 180.38 1ua4 h GLY 439 N 1.09 1.38 1.24 5.37 0.00 -1.90 0.06 103.07 110.31 1ua4 h GLY 439 Ca 0.23 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1ua4 h GLY 439 CO 0.00 0.38 -0.12 -0.55 0.00 0.00 0.00 176.54 176.25 1ua4 h ASP 440 N 1.17 0.88 -0.57 0.19 3.32 -1.84 -0.93 116.42 118.64 1ua4 h ASP 440 Ca 0.38 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1ua4 h ASP 440 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1ua4 h ASP 440 CO -0.13 1.01 0.22 0.74 -1.72 0.00 0.00 179.24 179.37 1ua4 h THR 441 N 0.79 1.23 0.49 0.35 2.02 -0.68 -1.39 112.91 115.72 1ua4 h THR 441 Ca 0.13 -0.71 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1ua4 h THR 441 Cb 0.64 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1ua4 h THR 441 CO 0.04 0.27 -0.23 0.40 0.37 0.00 0.00 175.52 176.37 1ua4 h ILE 442 N 0.78 0.49 -0.25 3.11 2.04 -0.70 -2.00 117.51 120.98 1ua4 h ILE 442 Ca 0.19 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ua4 h ILE 442 Cb 0.21 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 1ua4 h ILE 442 CO -0.01 0.04 0.11 0.28 0.00 0.00 0.00 178.15 178.57 1ua4 h SER 443 N -0.81 0.34 -0.51 1.72 0.02 -1.16 -2.22 113.55 110.92 1ua4 h SER 443 Ca -0.07 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 1ua4 h SER 443 Cb 0.57 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1ua4 h SER 443 CO 0.11 0.39 -0.02 0.77 -1.14 0.00 0.00 176.83 176.94 1ua4 h SER 444 N 0.26 0.89 -0.57 3.07 4.64 -1.33 -1.81 113.55 118.70 1ua4 h SER 444 Ca 0.09 -0.32 -0.02 0.00 -0.47 0.00 0.00 61.79 61.07 1ua4 h SER 444 Cb 0.15 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.97 1ua4 h SER 444 CO -0.01 0.99 0.28 0.28 -0.87 0.00 0.00 176.83 177.50 1ua4 h SER 445 N 0.77 0.75 -0.38 4.97 0.02 -1.32 -1.27 113.55 117.09 1ua4 h SER 445 Ca 0.14 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 1ua4 h SER 445 Cb 0.55 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1ua4 h SER 445 CO 0.03 0.66 -0.26 0.00 -1.14 0.00 0.00 176.83 176.12 1ua4 h ALA 446 N 1.11 0.55 0.09 3.77 0.00 -1.34 0.23 119.26 123.67 1ua4 h ALA 446 Ca 0.20 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ua4 h ALA 446 Cb 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ua4 h ALA 446 CO -0.03 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.09 1ua4 h PHE 447 N 0.66 -0.11 -0.40 0.00 3.57 -1.22 0.15 116.94 119.58 1ua4 h PHE 447 Ca 0.08 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1ua4 h PHE 447 Cb 0.83 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1ua4 h PHE 447 CO 0.06 0.14 -0.27 0.82 -2.23 0.00 0.00 178.31 176.83 1ua4 h ILE 448 N -0.35 1.27 0.06 1.41 5.03 -1.28 -2.45 117.51 121.20 1ua4 h ILE 448 Ca -0.01 -1.42 -0.00 0.00 -0.12 0.00 0.00 64.86 63.31 1ua4 h ILE 448 Cb 0.30 1.25 0.00 0.00 -3.03 0.00 0.00 36.82 35.34 1ua4 h ILE 448 CO 0.02 0.47 -0.03 1.23 -0.68 0.00 0.00 178.15 179.17 1ua4 h GLY 449 N 0.92 -0.08 0.78 5.37 0.00 -0.45 0.08 103.07 109.69 1ua4 h GLY 449 Ca 0.09 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1ua4 h GLY 449 CO 0.07 -0.03 0.24 -2.09 0.00 0.00 0.00 176.54 174.73 1ua4 h GLU 450 N -0.14 0.47 -0.59 4.80 4.81 -0.67 -1.88 114.58 121.37 1ua4 h GLU 450 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1ua4 h GLU 450 Cb 0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1ua4 h GLU 450 CO 0.01 0.31 0.31 0.35 -0.73 0.00 0.00 179.01 179.27 1ua4 h PHE 451 N 0.48 0.83 -0.03 0.92 3.57 -1.28 -2.49 116.94 118.94 1ua4 h PHE 451 Ca 0.20 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1ua4 h PHE 451 Cb 0.09 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.57 1ua4 h PHE 451 CO -0.10 0.61 0.02 0.66 -2.23 0.00 0.00 178.31 177.27 1ua4 h SER 452 N 0.80 0.00 0.64 0.41 4.64 -0.33 -0.63 113.55 119.09 1ua4 h SER 452 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1ua4 h SER 452 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ua4 h SER 452 CO -0.03 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.42 1ua4 n PHE 453 N -4.48 0.31 1.09 4.77 3.72 -0.77 -2.28 117.46 119.83 1ua4 n PHE 453 Ca -0.02 0.12 0.12 0.00 -0.05 0.00 0.00 57.45 57.61 1ua4 n PHE 453 Cb 0.11 -0.69 0.14 0.00 -0.94 0.00 0.00 39.48 38.11 1ua4 n PHE 453 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1ua4 n THR 454 N -1.78 0.00 1.78 4.37 -2.24 -0.25 -5.09 114.28 111.08 1ua4 n THR 454 Ca 0.03 -0.22 0.14 0.00 -2.27 0.00 0.00 64.05 61.74 1ua4 n THR 454 Cb 0.21 0.95 0.85 0.00 -2.10 0.00 0.00 70.33 70.24 1ua4 n THR 454 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68