#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iur s HIS 8 N 0.00 2.96 0.56 1.96 3.76 -1.26 -5.12 115.29 118.16 3iur s HIS 8 Ca 0.00 -1.92 -0.17 0.00 -0.15 0.00 0.00 55.06 52.82 3iur s HIS 8 Cb 0.00 -1.91 -0.05 0.00 1.11 0.00 0.00 32.58 31.72 3iur s HIS 8 CO 0.00 -0.84 1.05 0.71 -0.85 0.00 0.00 174.74 174.81 3iur s TYR 9 N 1.22 3.04 0.67 1.40 2.02 -1.26 -4.98 117.35 119.46 3iur s TYR 9 Ca -0.01 1.52 -0.16 0.00 -0.37 0.00 0.00 57.07 58.05 3iur s TYR 9 Cb -0.16 -3.00 0.01 0.00 -0.40 0.00 0.00 41.96 38.41 3iur s TYR 9 CO -0.10 -0.97 1.18 -2.14 -1.57 0.00 0.00 175.55 171.95 3iur s PRO 10 N -3.88 2.55 0.25 -1.71 0.02 -1.26 -4.94 135.00 126.03 3iur s PRO 10 Ca 0.64 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 63.03 3iur s PRO 10 Cb -0.15 -1.89 -0.09 0.00 0.02 0.00 0.00 34.50 32.38 3iur s PRO 10 CO 0.32 -1.50 1.15 0.08 -0.33 0.00 0.00 177.00 176.73 3iur s VAL 11 N -1.99 3.46 -0.28 3.83 1.01 -1.26 -5.00 120.40 120.17 3iur s VAL 11 Ca 0.73 1.37 0.02 0.00 0.00 0.00 0.00 61.98 64.09 3iur s VAL 11 Cb -0.27 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.32 3iur s VAL 11 CO 0.41 0.28 -0.03 -0.89 0.00 0.00 0.00 175.10 174.87 3iur s THR 12 N -0.73 1.84 0.51 3.92 2.01 -1.26 -5.06 115.64 116.87 3iur s THR 12 Ca 0.48 -1.64 -0.21 0.00 0.31 0.00 0.00 61.69 60.63 3iur s THR 12 Cb -0.33 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 3iur s THR 12 CO 0.40 -0.26 1.18 0.00 -0.69 0.00 0.00 174.62 175.25 3iur s ARG 13 N 1.21 3.47 -0.19 4.92 1.70 -1.26 -5.01 118.95 123.79 3iur s ARG 13 Ca -0.01 1.78 -0.08 0.00 -0.47 0.00 0.00 55.73 56.95 3iur s ARG 13 Cb -0.19 -2.21 -0.04 0.00 -0.57 0.00 0.00 34.95 31.94 3iur s ARG 13 CO -0.08 -0.79 0.07 -0.65 -1.08 0.00 0.00 175.30 172.77 3iur s GLN 14 N -2.97 3.96 0.03 3.89 -0.21 -1.26 -4.76 119.66 118.33 3iur s GLN 14 Ca 0.69 -0.35 -0.00 0.00 0.02 0.00 0.00 55.36 55.72 3iur s GLN 14 Cb -0.29 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.49 3iur s GLN 14 CO 0.33 0.23 0.04 0.41 -2.12 0.00 0.00 175.29 174.19 3iur n GLY 15 N 3.68 -0.21 0.27 3.09 0.00 0.18 -5.02 105.19 107.17 3iur n GLY 15 Ca -0.16 -1.81 0.02 0.00 0.00 0.00 0.00 46.02 44.07 3iur n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iur n GLU 16 N -1.09 2.50 -1.68 1.61 1.02 -1.26 -4.51 120.64 117.23 3iur n GLU 16 Ca 0.01 -1.61 -0.44 0.00 -0.02 0.00 0.00 57.16 55.09 3iur n GLU 16 Cb 0.02 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3iur n GLU 16 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3iur n GLN 17 N -0.01 2.20 -3.99 3.49 -0.06 -1.26 -4.92 117.38 112.83 3iur n GLN 17 Ca 0.05 0.79 -0.19 0.00 -2.00 0.00 0.00 57.00 55.64 3iur n GLN 17 Cb 0.30 -2.49 -0.16 0.00 -4.06 0.00 0.00 30.24 23.82 3iur n GLN 17 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3iur s VAL 18 N 0.20 0.34 0.32 1.69 1.01 -1.26 -1.36 120.40 121.33 3iur s VAL 18 Ca 0.70 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3iur s VAL 18 Cb -0.62 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 3iur s VAL 18 CO 0.46 0.19 0.29 -1.81 0.00 0.00 0.00 175.10 174.24 3iur s ASP 19 N 1.16 5.42 -0.02 3.32 1.01 0.15 -4.91 116.67 122.80 3iur s ASP 19 Ca -0.08 -0.40 0.02 0.00 0.71 0.00 0.00 52.55 52.80 3iur s ASP 19 Cb -0.14 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.69 3iur s ASP 19 CO -0.02 -0.29 -0.07 -1.00 0.21 0.00 0.00 175.17 174.00 3iur s HIS 20 N -2.25 0.75 -0.11 4.23 3.76 -1.26 -0.44 115.29 119.97 3iur s HIS 20 Ca 0.39 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.12 3iur s HIS 20 Cb -0.07 -0.53 0.04 0.00 1.11 0.00 0.00 32.58 33.13 3iur s HIS 20 CO 0.27 -0.07 0.03 0.71 -0.85 0.00 0.00 174.74 174.82 3iur s TYR 21 N 0.14 0.63 -1.46 1.40 2.02 0.37 -4.86 117.35 115.58 3iur s TYR 21 Ca -0.02 -0.30 -0.04 0.00 -0.37 0.00 0.00 57.07 56.35 3iur s TYR 21 Cb -0.07 -0.81 0.03 0.00 -0.40 0.00 0.00 41.96 40.72 3iur s TYR 21 CO 0.00 -0.40 0.49 1.19 -1.57 0.00 0.00 175.55 175.26 3iur n PHE 22 N 5.16 -1.68 -0.81 2.71 3.72 -1.26 -0.52 117.46 124.77 3iur n PHE 22 Ca -0.07 0.76 0.00 0.00 -0.05 0.00 0.00 57.45 58.09 3iur n PHE 22 Cb 0.49 -3.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.43 3iur n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iur n GLY 23 N -1.90 1.35 3.73 1.37 0.00 -1.26 -5.02 105.19 103.47 3iur n GLY 23 Ca -0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 3iur n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iur s GLN 24 N -0.01 3.85 0.05 1.61 -0.21 0.32 -5.08 119.66 120.18 3iur s GLN 24 Ca 0.00 -0.25 -0.18 0.00 0.02 0.00 0.00 55.36 54.95 3iur s GLN 24 Cb 0.00 -3.25 -0.06 0.00 1.00 0.00 0.00 33.01 30.69 3iur s GLN 24 CO 0.00 0.44 0.51 0.00 -2.12 0.00 0.00 175.29 174.12 3iur s ALA 25 N -0.07 3.63 -0.11 6.09 0.00 -1.26 -0.48 121.76 129.56 3iur s ALA 25 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 3iur s ALA 25 Cb -0.12 -2.55 0.04 0.00 0.00 0.00 0.00 23.12 20.50 3iur s ALA 25 CO 0.00 0.43 0.07 0.08 0.00 0.00 0.00 175.76 176.34 3iur s VAL 26 N -1.09 -0.01 0.30 0.00 1.01 0.42 -4.98 120.40 116.04 3iur s VAL 26 Ca 0.27 0.09 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 3iur s VAL 26 Cb -0.18 -0.42 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3iur s VAL 26 CO 0.17 -0.03 1.09 0.00 0.00 0.00 0.00 175.10 176.33 3iur s ALA 27 N 2.12 3.35 -0.48 5.51 0.00 -1.26 -0.67 121.76 130.32 3iur s ALA 27 Ca 0.03 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.92 3iur s ALA 27 Cb -0.14 -3.31 0.25 0.00 0.00 0.00 0.00 23.12 19.91 3iur s ALA 27 CO -0.06 -0.16 0.59 -3.47 0.00 0.00 0.00 175.76 172.66 3iur n ASP 28 N 0.98 1.36 0.29 0.00 2.03 -0.46 -4.93 116.55 115.82 3iur n ASP 28 Ca -0.00 -2.93 0.17 0.00 0.52 0.00 0.00 54.79 52.55 3iur n ASP 28 Cb 0.46 -0.65 0.90 0.00 -0.72 0.00 0.00 41.12 41.11 3iur n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iur h PRO 29 N 4.14 0.00 -0.30 -0.67 0.13 -1.79 -1.94 132.00 131.56 3iur h PRO 29 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3iur h PRO 29 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 3iur h PRO 29 CO 0.58 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.02 3iur n TYR 30 N -2.77 1.08 -0.32 1.56 4.01 -1.26 0.50 117.16 119.95 3iur n TYR 30 Ca -0.02 -0.91 0.20 0.00 -0.16 0.00 0.00 57.90 57.01 3iur n TYR 30 Cb 0.19 -0.35 0.47 0.00 -0.31 0.00 0.00 39.34 39.34 3iur n TYR 30 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3iur h ARG 31 N 1.95 0.46 0.00 -0.72 9.65 -1.74 0.20 114.38 124.18 3iur h ARG 31 Ca 0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3iur h ARG 31 Cb 1.52 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 30.00 3iur h ARG 31 CO 0.27 0.30 -0.03 0.11 2.80 0.00 0.00 179.97 183.42 3iur h TRP 32 N 0.47 0.00 0.00 2.20 5.08 -1.85 -0.82 115.95 121.03 3iur h TRP 32 Ca 0.59 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.56 3iur h TRP 32 Cb 1.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.52 3iur h TRP 32 CO -0.00 0.03 0.00 1.28 -1.28 0.00 0.00 178.44 178.46 3iur n LEU 33 N -3.43 0.36 0.31 0.11 4.77 0.72 -2.98 117.00 116.86 3iur n LEU 33 Ca -0.02 0.57 0.20 0.00 -0.03 0.00 0.00 56.01 56.72 3iur n LEU 33 Cb 0.14 -0.49 0.99 0.00 -2.33 0.00 0.00 43.42 41.72 3iur n LEU 33 CO 0.25 -0.29 1.10 -0.33 -1.33 0.00 0.00 177.39 176.79 3iur h GLU 34 N 0.00 0.00 -4.94 3.23 5.08 -1.26 -3.36 114.58 113.34 3iur h GLU 34 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 3iur h GLU 34 Cb 0.42 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.49 3iur h GLU 34 CO 0.00 0.01 0.50 0.34 -1.00 0.00 0.00 179.01 178.86 3iur s ASP 35 N -5.45 6.40 0.00 1.42 -1.08 -1.16 -4.70 116.67 112.10 3iur s ASP 35 Ca -0.03 -1.66 0.21 0.00 -0.52 0.00 0.00 52.55 50.55 3iur s ASP 35 Cb 0.12 -2.36 1.24 0.00 -1.46 0.00 0.00 42.92 40.45 3iur s ASP 35 CO 0.47 -1.13 1.64 -0.90 0.52 0.00 0.00 175.17 175.77 3iur n ASP 36 N 6.57 0.00 -0.01 -0.34 5.75 -1.26 -2.97 116.55 124.28 3iur n ASP 36 Ca 0.07 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 54.04 3iur n ASP 36 Cb 0.46 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 3iur n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iur n ARG 37 N -0.94 2.52 -2.83 0.11 1.74 -1.26 -4.62 116.66 111.38 3iur n ARG 37 Ca 0.16 -1.39 -0.32 0.00 -0.77 0.00 0.00 57.85 55.53 3iur n ARG 37 Cb 0.07 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.46 30.46 3iur n ARG 37 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iur s SER 38 N -0.88 6.69 0.21 0.55 1.04 -1.16 -4.91 113.70 115.24 3iur s SER 38 Ca 0.00 1.37 -0.09 0.00 0.48 0.00 0.00 55.95 57.71 3iur s SER 38 Cb 0.00 -2.42 0.27 0.00 0.10 0.00 0.00 66.02 63.98 3iur s SER 38 CO 0.00 -0.38 1.78 -0.65 0.98 0.00 0.00 173.24 174.97 3iur h PRO 39 N 1.58 0.54 -0.50 4.02 0.11 -1.96 -1.10 132.00 134.69 3iur h PRO 39 Ca -0.48 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 3iur h PRO 39 Cb 1.18 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3iur h PRO 39 CO 0.63 0.36 0.03 1.49 -0.21 0.00 0.00 178.00 180.30 3iur h GLU 40 N 0.56 0.82 -0.10 1.05 4.81 -1.94 -1.82 114.58 117.96 3iur h GLU 40 Ca 0.31 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 3iur h GLU 40 Cb 0.30 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3iur h GLU 40 CO -0.24 0.80 -0.25 1.15 -0.73 0.00 0.00 179.01 179.74 3iur h THR 41 N 0.77 1.40 0.00 0.32 2.02 -1.70 -2.40 112.91 113.32 3iur h THR 41 Ca 0.15 -1.57 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 3iur h THR 41 Cb 0.42 2.17 -0.00 0.00 -1.74 0.00 0.00 68.15 69.00 3iur h THR 41 CO 0.02 0.45 -0.09 -0.33 0.37 0.00 0.00 175.52 175.94 3iur h GLU 42 N -0.12 0.00 -0.07 6.66 5.08 -1.15 0.84 114.58 125.83 3iur h GLU 42 Ca -0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 3iur h GLU 42 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3iur h GLU 42 CO 0.05 0.09 -0.80 0.00 -1.00 0.00 0.00 179.01 177.35 3iur h ALA 43 N 1.91 0.46 -0.31 3.43 0.00 -1.30 -2.44 119.26 121.01 3iur h ALA 43 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 3iur h ALA 43 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iur h ALA 43 CO 0.01 0.75 0.12 2.35 0.00 0.00 0.00 179.25 182.49 3iur h TRP 44 N 0.33 0.47 -0.38 0.00 7.01 -0.67 -1.37 115.95 121.34 3iur h TRP 44 Ca -0.05 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 60.96 3iur h TRP 44 Cb 1.41 -0.14 -0.05 0.00 -2.10 0.00 0.00 29.16 28.28 3iur h TRP 44 CO 0.06 0.45 0.11 0.28 -2.79 0.00 0.00 178.44 176.55 3iur h VAL 45 N 0.35 0.86 -0.59 2.65 2.07 -0.86 0.78 116.25 121.51 3iur h VAL 45 Ca 0.10 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3iur h VAL 45 Cb 0.18 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 3iur h VAL 45 CO -0.01 0.05 0.35 0.50 0.02 0.00 0.00 177.57 178.48 3iur h LYS 46 N 0.26 0.80 -0.38 1.57 3.64 -1.23 -0.72 116.57 120.51 3iur h LYS 46 Ca 0.18 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 3iur h LYS 46 Cb 0.18 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3iur h LYS 46 CO -0.20 0.58 -0.21 0.00 -2.27 0.00 0.00 179.45 177.34 3iur h ALA 47 N 1.18 0.91 -0.31 5.00 0.00 -0.75 -2.16 119.26 123.13 3iur h ALA 47 Ca 0.21 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3iur h ALA 47 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3iur h ALA 47 CO -0.04 0.62 -0.07 1.96 0.00 0.00 0.00 179.25 181.72 3iur h GLN 48 N 0.65 0.60 -0.57 0.00 1.08 -0.56 -2.61 115.11 113.72 3iur h GLN 48 Ca 0.09 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 3iur h GLN 48 Cb 0.71 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 3iur h GLN 48 CO 0.05 0.78 0.33 -0.91 -0.95 0.00 0.00 178.83 178.14 3iur h ASN 49 N 0.38 0.67 -0.53 1.46 -0.26 -1.04 -0.84 115.58 115.43 3iur h ASN 49 Ca 0.08 -0.04 -0.08 0.00 -0.56 0.00 0.00 56.30 55.70 3iur h ASN 49 Cb 0.56 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 3iur h ASN 49 CO 0.03 0.52 0.01 0.00 -1.06 0.00 0.00 177.43 176.94 3iur h ALA 50 N 1.59 0.71 -0.42 -0.83 0.00 -1.23 0.37 119.26 119.45 3iur h ALA 50 Ca 0.20 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3iur h ALA 50 Cb -0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iur h ALA 50 CO -0.04 0.51 -0.11 0.28 0.00 0.00 0.00 179.25 179.89 3iur h VAL 51 N 0.79 1.28 -0.36 0.00 2.07 -1.06 -1.85 116.25 117.11 3iur h VAL 51 Ca 0.15 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 3iur h VAL 51 Cb 0.51 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3iur h VAL 51 CO 0.02 0.41 0.07 0.74 0.02 0.00 0.00 177.57 178.83 3iur h THR 52 N 0.63 1.24 -0.47 2.57 2.02 -0.99 -1.28 112.91 116.63 3iur h THR 52 Ca 0.10 -0.83 -0.07 0.00 0.77 0.00 0.00 66.41 66.39 3iur h THR 52 Cb 0.65 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3iur h THR 52 CO 0.04 0.28 -0.00 1.56 0.37 0.00 0.00 175.52 177.77 3iur h GLN 53 N 0.44 0.77 -0.50 6.66 1.08 -0.92 -1.37 115.11 121.28 3iur h GLN 53 Ca 0.11 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 3iur h GLN 53 Cb 0.35 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3iur h GLN 53 CO 0.01 0.78 0.09 0.22 -0.95 0.00 0.00 178.83 178.97 3iur h ASP 54 N 0.72 0.79 -0.35 1.46 3.58 -1.16 -0.61 116.42 120.85 3iur h ASP 54 Ca 0.14 -0.26 -0.02 0.00 0.42 0.00 0.00 57.03 57.31 3iur h ASP 54 Cb 0.44 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3iur h ASP 54 CO 0.02 0.84 0.13 0.22 -2.88 0.00 0.00 179.24 177.57 3iur h TYR 55 N 0.70 0.54 0.00 0.28 3.20 -0.90 -2.93 116.97 117.86 3iur h TYR 55 Ca 0.15 -0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 3iur h TYR 55 Cb 0.39 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 3iur h TYR 55 CO 0.03 0.51 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.70 3iur h LEU 56 N 0.41 0.00 -2.50 2.82 3.38 -1.13 -2.85 115.31 115.44 3iur h LEU 56 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iur h LEU 56 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3iur h LEU 56 CO -0.01 0.30 -0.02 0.00 0.09 0.00 0.00 178.44 178.80 3iur h ALA 57 N 1.70 1.20 -0.01 1.53 0.00 -0.91 -1.81 119.26 120.96 3iur h ALA 57 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iur h ALA 57 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iur h ALA 57 CO 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 179.25 179.27 3iur n GLN 58 N -3.40 1.26 -2.72 0.00 10.64 -1.07 -4.77 117.38 117.32 3iur n GLN 58 Ca -0.02 -0.59 -0.43 0.00 -1.83 0.00 0.00 57.00 54.13 3iur n GLN 58 Cb 0.13 -1.49 -0.03 0.00 -0.86 0.00 0.00 30.24 27.99 3iur n GLN 58 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3iur s ILE 59 N -2.14 4.44 0.22 -0.39 1.01 -0.68 -4.94 121.20 118.71 3iur s ILE 59 Ca 0.37 1.22 -0.10 0.00 0.00 0.00 0.00 60.65 62.14 3iur s ILE 59 Cb 0.21 -4.45 0.21 0.00 0.01 0.00 0.00 42.46 38.44 3iur s ILE 59 CO 0.39 -0.72 1.66 -0.65 0.00 0.00 0.00 174.94 175.62 3iur h PRO 60 N 8.73 0.12 -0.65 2.79 0.11 -1.88 -2.97 132.00 138.26 3iur h PRO 60 Ca -0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3iur h PRO 60 Cb 1.07 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3iur h PRO 60 CO 1.04 0.08 0.00 2.48 -0.21 0.00 0.00 178.00 181.39 3iur n TYR 61 N -5.28 1.33 -0.24 0.65 0.18 -1.26 -4.49 117.16 108.04 3iur n TYR 61 Ca 0.10 -0.53 -0.07 0.00 1.88 0.00 0.00 57.90 59.27 3iur n TYR 61 Cb 0.37 -0.21 0.04 0.00 -0.38 0.00 0.00 39.34 39.16 3iur n TYR 61 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3iur h ARG 62 N 3.72 1.03 -0.49 -3.48 2.43 -1.88 -2.36 114.38 113.35 3iur h ARG 62 Ca 0.00 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 58.88 3iur h ARG 62 Cb 1.31 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3iur h ARG 62 CO 0.20 0.88 -0.02 0.00 -1.51 0.00 0.00 179.97 179.52 3iur h ALA 63 N 1.10 1.05 -0.62 2.80 0.00 -1.82 -1.71 119.26 120.07 3iur h ALA 63 Ca 0.22 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3iur h ALA 63 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3iur h ALA 63 CO -0.01 0.59 0.14 0.00 0.00 0.00 0.00 179.25 179.97 3iur h ALA 64 N 1.21 0.81 -0.27 0.00 0.00 -1.80 -0.48 119.26 118.74 3iur h ALA 64 Ca 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3iur h ALA 64 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3iur h ALA 64 CO 0.02 0.54 0.09 0.82 0.00 0.00 0.00 179.25 180.72 3iur h ILE 65 N 0.91 1.19 -0.85 0.00 2.04 -1.22 -1.84 117.51 117.75 3iur h ILE 65 Ca 0.19 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3iur h ILE 65 Cb 0.37 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3iur h ILE 65 CO 0.00 0.20 0.51 0.50 0.00 0.00 0.00 178.15 179.37 3iur h LYS 66 N 0.27 1.15 -0.32 2.37 3.64 -1.14 -1.62 116.57 120.91 3iur h LYS 66 Ca 0.09 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3iur h LYS 66 Cb 0.23 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3iur h LYS 66 CO -0.00 0.80 0.18 1.49 -2.27 0.00 0.00 179.45 179.64 3iur h GLU 67 N 1.17 0.44 -0.57 1.90 4.81 -0.78 -0.83 114.58 120.73 3iur h GLU 67 Ca 0.30 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 3iur h GLU 67 Cb -0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3iur h GLU 67 CO -0.06 0.37 0.01 0.87 -0.73 0.00 0.00 179.01 179.47 3iur h LYS 68 N 0.40 0.97 0.30 1.92 1.57 -1.03 -1.54 116.57 119.16 3iur h LYS 68 Ca 0.11 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3iur h LYS 68 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3iur h LYS 68 CO -0.02 0.95 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.60 3iur h LEU 69 N 0.89 -0.34 -1.08 2.94 3.38 -1.06 -2.11 115.31 117.93 3iur h LEU 69 Ca 0.17 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.14 3iur h LEU 69 Cb 0.51 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 3iur h LEU 69 CO 0.03 -0.19 0.62 0.00 0.09 0.00 0.00 178.44 178.98 3iur h ALA 70 N 0.24 1.38 0.00 1.53 0.00 -1.07 -0.71 119.26 120.63 3iur h ALA 70 Ca -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3iur h ALA 70 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iur h ALA 70 CO 0.07 0.53 -0.19 0.00 0.00 0.00 0.00 179.25 179.66 3iur h ALA 71 N 1.44 1.06 -0.10 0.00 0.00 -1.12 -3.19 119.26 117.35 3iur h ALA 71 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iur h ALA 71 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iur h ALA 71 CO -0.11 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3iur n SER 72 N -3.40 2.11 -0.19 0.00 3.41 -0.81 -4.70 113.62 110.05 3iur n SER 72 Ca -0.00 -1.58 -0.10 0.00 -0.26 0.00 0.00 58.87 56.93 3iur n SER 72 Cb 0.38 -0.06 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 3iur n SER 72 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3iur h TRP 73 N 1.94 1.02 -3.61 7.33 2.91 -1.13 -3.45 115.95 120.95 3iur h TRP 73 Ca 0.00 -0.17 -0.68 0.00 1.13 0.00 0.00 58.89 59.16 3iur h TRP 73 Cb 0.50 -0.27 -0.18 0.00 -0.51 0.00 0.00 29.16 28.70 3iur h TRP 73 CO 0.06 0.93 -0.69 -0.80 -1.03 0.00 0.00 178.44 176.91 3iur s ASN 74 N -6.42 4.73 0.06 2.65 0.01 -1.26 -5.00 114.94 109.71 3iur s ASN 74 Ca -0.12 -0.01 -0.26 0.00 -0.71 0.00 0.00 52.86 51.75 3iur s ASN 74 Cb 0.12 -1.20 0.07 0.00 0.41 0.00 0.00 41.25 40.66 3iur s ASN 74 CO 0.83 0.35 0.66 -0.72 -1.51 0.00 0.00 177.10 176.72 3iur s TYR 75 N -0.85 -0.56 0.69 2.20 -0.85 -1.26 -5.01 117.35 111.72 3iur s TYR 75 Ca 0.13 0.62 -0.16 0.00 -0.52 0.00 0.00 57.07 57.14 3iur s TYR 75 Cb -0.11 0.50 0.02 0.00 0.38 0.00 0.00 41.96 42.75 3iur s TYR 75 CO 0.02 -0.73 1.20 0.00 -1.52 0.00 0.00 175.55 174.52 3iur s ALA 76 N -2.72 2.24 0.04 9.51 0.00 -1.24 -4.00 121.76 125.59 3iur s ALA 76 Ca -0.03 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 3iur s ALA 76 Cb -0.01 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3iur s ALA 76 CO -0.04 -1.67 -0.01 0.15 0.00 0.00 0.00 175.76 174.19 3iur s LYS 77 N -3.81 0.48 -0.11 0.00 1.02 0.14 -4.23 119.74 113.24 3iur s LYS 77 Ca 0.74 -0.91 -0.11 0.00 0.02 0.00 0.00 55.97 55.72 3iur s LYS 77 Cb -0.29 0.17 0.03 0.00 -0.52 0.00 0.00 37.83 37.23 3iur s LYS 77 CO 0.42 -0.09 0.30 -2.00 -0.92 0.00 0.00 175.35 173.07 3iur s GLU 78 N -2.74 0.38 0.61 1.68 2.12 -1.26 -1.16 118.70 118.33 3iur s GLU 78 Ca -0.04 0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.71 3iur s GLU 78 Cb -0.01 0.18 0.09 0.00 0.26 0.00 0.00 34.13 34.65 3iur s GLU 78 CO -0.06 -0.05 0.84 0.20 -0.54 0.00 0.00 175.26 175.65 3iur s GLY 79 N 0.04 1.78 0.43 -1.50 0.00 0.86 -4.98 107.32 103.95 3iur s GLY 79 Ca -0.01 -1.80 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 3iur s GLY 79 CO 0.01 -1.36 1.14 0.00 0.00 0.00 0.00 173.10 172.89 3iur s ALA 80 N -2.83 3.06 0.47 3.20 0.00 -1.26 -4.61 121.76 119.79 3iur s ALA 80 Ca 0.62 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 3iur s ALA 80 Cb -0.07 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 3iur s ALA 80 CO 0.40 -0.52 0.95 -1.25 0.00 0.00 0.00 175.76 175.34 3iur s PRO 81 N -2.52 4.06 -0.04 0.00 0.04 -1.26 -4.65 135.00 130.64 3iur s PRO 81 Ca 0.60 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 3iur s PRO 81 Cb -0.28 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.11 3iur s PRO 81 CO 0.35 -0.15 0.08 -0.59 0.04 0.00 0.00 177.00 176.73 3iur s PHE 82 N -2.41 -0.08 -0.03 0.56 -0.71 0.27 -4.93 117.98 110.66 3iur s PHE 82 Ca 0.60 0.25 -0.24 0.00 -1.04 0.00 0.00 56.93 56.50 3iur s PHE 82 Cb -0.10 -0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.61 3iur s PHE 82 CO 0.23 -0.08 0.72 0.50 -1.34 0.00 0.00 175.22 175.25 3iur s ARG 83 N 0.57 4.45 -0.12 1.99 3.52 -1.26 0.00 118.95 128.10 3iur s ARG 83 Ca -0.04 0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 56.46 3iur s ARG 83 Cb -0.06 -3.41 0.05 0.00 -1.56 0.00 0.00 34.95 29.96 3iur s ARG 83 CO -0.02 0.15 0.06 -1.21 -0.81 0.00 0.00 175.30 173.47 3iur s GLU 84 N 0.47 0.14 6.77 5.12 0.41 -0.47 -4.97 118.70 126.17 3iur s GLU 84 Ca 0.38 0.06 0.00 0.00 -0.41 0.00 0.00 54.97 55.00 3iur s GLU 84 Cb -0.19 -1.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.85 3iur s GLU 84 CO 0.20 -0.51 0.00 0.41 -0.49 0.00 0.00 175.26 174.87 3iur n GLY 85 N 5.25 2.69 1.27 -1.39 0.00 -1.24 -2.55 105.19 109.21 3iur n GLY 85 Ca -0.06 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.69 3iur n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iur n ARG 86 N 13.55 3.09 -4.33 1.61 1.85 -1.26 -4.92 116.66 126.25 3iur n ARG 86 Ca 0.00 -2.13 -0.20 0.00 -1.00 0.00 0.00 57.85 54.52 3iur n ARG 86 Cb 0.00 -1.76 -0.11 0.00 -1.05 0.00 0.00 32.46 29.55 3iur n ARG 86 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3iur s TYR 87 N -1.80 1.73 -0.18 2.89 2.02 -1.06 -4.57 117.35 116.38 3iur s TYR 87 Ca 0.38 -0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 56.51 3iur s TYR 87 Cb 0.25 -0.84 -0.03 0.00 -0.40 0.00 0.00 41.96 40.94 3iur s TYR 87 CO 0.18 0.33 -0.01 -1.01 -1.57 0.00 0.00 175.55 173.47 3iur s HIS 88 N -2.49 3.06 0.12 2.71 3.76 -0.26 -1.37 115.29 120.81 3iur s HIS 88 Ca 0.18 -0.33 0.04 0.00 -0.15 0.00 0.00 55.06 54.80 3iur s HIS 88 Cb -0.03 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 3iur s HIS 88 CO 0.06 -0.11 0.10 0.71 -0.85 0.00 0.00 174.74 174.65 3iur s TYR 89 N 0.68 3.15 -0.24 1.40 2.02 0.10 -0.39 117.35 124.06 3iur s TYR 89 Ca -0.01 0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.46 3iur s TYR 89 Cb -0.14 -1.56 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 3iur s TYR 89 CO 0.02 0.52 0.88 -0.59 -1.57 0.00 0.00 175.55 174.81 3iur s PHE 90 N -1.54 -0.59 0.28 2.71 -0.12 -0.36 -0.57 117.98 117.79 3iur s PHE 90 Ca 0.30 1.37 -0.14 0.00 -0.05 0.00 0.00 56.93 58.41 3iur s PHE 90 Cb -0.11 0.34 -0.08 0.00 -0.63 0.00 0.00 43.02 42.54 3iur s PHE 90 CO 0.22 -0.34 0.68 -0.06 -0.05 0.00 0.00 175.22 175.67 3iur s PHE 91 N -0.02 3.42 0.06 3.49 0.08 -1.26 -0.66 117.98 123.08 3iur s PHE 91 Ca -0.00 1.13 -0.05 0.00 0.12 0.00 0.00 56.93 58.12 3iur s PHE 91 Cb -0.04 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.94 3iur s PHE 91 CO -0.01 0.17 0.10 0.15 -0.10 0.00 0.00 175.22 175.53 3iur s LYS 92 N -2.82 0.67 -0.11 0.44 1.02 -0.17 -0.10 119.74 118.66 3iur s LYS 92 Ca 0.51 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.53 3iur s LYS 92 Cb -0.11 0.26 0.06 0.00 -0.52 0.00 0.00 37.83 37.52 3iur s LYS 92 CO 0.19 -0.17 0.24 1.21 -0.92 0.00 0.00 175.35 175.89 3iur s ASN 93 N -2.52 0.21 0.00 2.83 3.84 -0.31 -0.48 114.94 118.51 3iur s ASN 93 Ca 0.01 0.53 0.12 0.00 0.21 0.00 0.00 52.86 53.73 3iur s ASN 93 Cb 0.03 0.55 0.60 0.00 -0.55 0.00 0.00 41.25 41.87 3iur s ASN 93 CO -0.08 -0.22 1.33 -0.90 -2.79 0.00 0.00 177.10 174.45 3iur n ASP 94 N 4.99 0.00 0.00 -4.21 3.85 -1.26 -0.68 116.55 119.24 3iur n ASP 94 Ca -0.12 0.21 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 3iur n ASP 94 Cb 0.51 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 39.94 3iur n ASP 94 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3iur n GLY 95 N -0.24 2.42 0.00 6.12 0.00 -1.26 -3.62 105.19 108.62 3iur n GLY 95 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3iur n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iur n LEU 96 N 0.00 0.00 -4.74 0.99 4.77 -1.26 -4.48 117.00 112.29 3iur n LEU 96 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3iur n LEU 96 Cb 0.00 0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3iur n LEU 96 CO 0.00 0.01 1.05 0.00 -1.33 0.00 0.00 177.39 177.12 3iur n GLN 97 N -1.68 2.43 -0.07 3.23 6.02 -1.26 -4.93 117.38 121.12 3iur n GLN 97 Ca -0.01 0.85 -0.12 0.00 -0.01 0.00 0.00 57.00 57.71 3iur n GLN 97 Cb 0.16 -2.53 -0.06 0.00 1.02 0.00 0.00 30.24 28.84 3iur n GLN 97 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 3iur h ASN 98 N 3.04 0.43 -3.78 1.08 -0.00 -2.00 -3.45 115.58 110.91 3iur h ASN 98 Ca -0.48 -0.41 -0.68 0.00 -0.00 0.00 0.00 56.30 54.73 3iur h ASN 98 Cb 1.26 -0.12 -0.19 0.00 -0.00 0.00 0.00 38.32 39.27 3iur h ASN 98 CO 0.66 0.75 -0.78 -1.10 -0.00 0.00 0.00 177.43 176.95 3iur s GLN 99 N -4.57 2.05 0.48 6.67 -0.21 -1.26 -5.11 119.66 117.71 3iur s GLN 99 Ca -0.14 -1.02 -0.23 0.00 0.02 0.00 0.00 55.36 53.99 3iur s GLN 99 Cb 0.06 -2.22 -0.07 0.00 1.00 0.00 0.00 33.01 31.79 3iur s GLN 99 CO 0.76 0.52 1.22 -0.80 -2.12 0.00 0.00 175.29 174.87 3iur s ASN 100 N -1.80 5.92 -0.14 5.90 0.01 -1.26 -4.75 114.94 118.82 3iur s ASN 100 Ca 0.17 2.45 -0.05 0.00 -0.71 0.00 0.00 52.86 54.72 3iur s ASN 100 Cb -0.11 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 3iur s ASN 100 CO 0.09 -1.10 0.05 -0.69 -1.51 0.00 0.00 177.10 173.94 3iur s VAL 101 N -1.47 4.71 -0.28 1.60 1.01 0.37 -4.49 120.40 121.86 3iur s VAL 101 Ca 0.66 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 3iur s VAL 101 Cb -0.32 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3iur s VAL 101 CO 0.39 0.54 0.53 -0.22 0.00 0.00 0.00 175.10 176.33 3iur s LEU 102 N -0.29 4.09 0.36 3.92 2.96 -0.34 -1.00 118.68 128.39 3iur s LEU 102 Ca 0.08 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 3iur s LEU 102 Cb -0.12 -2.67 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 3iur s LEU 102 CO 0.02 -0.33 0.25 0.26 -1.32 0.00 0.00 176.35 175.23 3iur s TRP 103 N 2.35 2.76 0.12 5.38 0.52 0.17 -0.02 118.94 130.22 3iur s TRP 103 Ca 0.21 -0.40 -0.11 0.00 0.02 0.00 0.00 56.10 55.82 3iur s TRP 103 Cb -0.16 -1.85 0.00 0.00 -1.15 0.00 0.00 33.47 30.32 3iur s TRP 103 CO 0.10 0.16 0.28 -0.98 0.02 0.00 0.00 176.95 176.53 3iur s ARG 104 N -3.97 1.01 -0.22 4.98 1.70 -0.38 -1.22 118.95 120.85 3iur s ARG 104 Ca 0.42 -0.97 -0.14 0.00 -0.47 0.00 0.00 55.73 54.56 3iur s ARG 104 Cb -0.03 0.39 0.07 0.00 -0.57 0.00 0.00 34.95 34.80 3iur s ARG 104 CO 0.25 -0.36 0.56 -1.14 -1.08 0.00 0.00 175.30 173.53 3iur s GLN 105 N -3.88 0.58 -0.13 3.89 0.74 0.47 -1.12 119.66 120.20 3iur s GLN 105 Ca 0.08 0.97 -0.14 0.00 0.05 0.00 0.00 55.36 56.32 3iur s GLN 105 Cb 0.03 0.12 -0.05 0.00 1.10 0.00 0.00 33.01 34.22 3iur s GLN 105 CO -0.07 -0.14 0.32 -1.14 -0.55 0.00 0.00 175.29 173.71 3iur s GLN 106 N 1.26 4.18 -0.03 1.67 0.74 -1.26 -1.11 119.66 125.12 3iur s GLN 106 Ca -0.08 0.17 -0.36 0.00 0.05 0.00 0.00 55.36 55.14 3iur s GLN 106 Cb -0.06 -3.39 -0.14 0.00 1.10 0.00 0.00 33.01 30.52 3iur s GLN 106 CO -0.13 0.31 1.65 0.39 -0.55 0.00 0.00 175.29 176.96 3iur n GLU 107 N 3.29 1.71 0.00 1.67 1.02 -1.26 -0.36 120.64 126.71 3iur n GLU 107 Ca -0.12 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 3iur n GLU 107 Cb 0.52 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 3iur n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iur n GLY 108 N 3.68 0.15 3.47 0.62 0.00 -1.26 -5.07 105.19 106.78 3iur n GLY 108 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3iur n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iur s LYS 109 N -0.99 1.67 0.56 1.61 -0.14 0.51 -5.14 119.74 117.82 3iur s LYS 109 Ca 0.00 -1.89 -0.15 0.00 -1.36 0.00 0.00 55.97 52.57 3iur s LYS 109 Cb 0.00 -1.17 -0.06 0.00 -1.68 0.00 0.00 37.83 34.92 3iur s LYS 109 CO 0.00 -0.05 1.02 -1.25 -0.76 0.00 0.00 175.35 174.31 3iur s PRO 110 N -3.77 3.66 0.63 -1.68 0.04 -1.26 -4.56 135.00 128.05 3iur s PRO 110 Ca 0.33 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 62.20 3iur s PRO 110 Cb 0.06 -2.09 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3iur s PRO 110 CO 0.14 -0.51 1.09 0.00 0.04 0.00 0.00 177.00 177.76 3iur s ALA 111 N -2.70 2.59 0.04 8.56 0.00 -1.26 -4.62 121.76 124.37 3iur s ALA 111 Ca 0.59 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 3iur s ALA 111 Cb -0.12 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3iur s ALA 111 CO 0.38 -1.06 0.17 -1.83 0.00 0.00 0.00 175.76 173.42 3iur s GLU 112 N -4.03 0.66 0.22 0.00 -1.05 -0.28 -4.99 118.70 109.24 3iur s GLU 112 Ca 0.66 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 3iur s GLU 112 Cb -0.19 0.27 -0.09 0.00 -0.44 0.00 0.00 34.13 33.68 3iur s GLU 112 CO 0.39 -0.19 1.26 0.08 0.95 0.00 0.00 175.26 177.75 3iur s VAL 113 N -2.52 3.27 -0.14 1.83 1.01 -1.26 -1.25 120.40 121.34 3iur s VAL 113 Ca -0.05 1.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 3iur s VAL 113 Cb -0.01 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.59 3iur s VAL 113 CO -0.04 0.19 -0.17 0.33 0.00 0.00 0.00 175.10 175.42 3iur n PHE 114 N 2.22 0.00 -3.53 5.22 7.35 0.97 -4.84 117.46 124.84 3iur n PHE 114 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 3iur n PHE 114 Cb 0.43 -0.53 -0.12 0.00 0.35 0.00 0.00 39.48 39.61 3iur n PHE 114 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3iur s LEU 115 N -6.46 -0.24 -0.54 -2.13 2.96 -0.46 -5.02 118.68 106.79 3iur s LEU 115 Ca -0.20 0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 53.72 3iur s LEU 115 Cb 0.07 0.58 0.14 0.00 0.50 0.00 0.00 46.19 47.48 3iur s LEU 115 CO 0.28 -0.29 0.41 -0.62 -1.32 0.00 0.00 176.35 174.81 3iur s ASP 116 N 2.38 5.76 0.37 3.68 3.68 -1.26 -1.20 116.67 130.08 3iur s ASP 116 Ca 0.06 -2.17 0.07 0.00 2.13 0.00 0.00 52.55 52.64 3iur s ASP 116 Cb -0.14 -2.01 0.79 0.00 -1.45 0.00 0.00 42.92 40.11 3iur s ASP 116 CO -0.11 -0.62 1.96 -0.65 0.13 0.00 0.00 175.17 175.87 3iur h PRO 117 N 8.13 0.67 -0.96 4.34 0.11 -1.91 -2.93 132.00 139.45 3iur h PRO 117 Ca -0.14 -0.04 0.19 0.00 0.11 0.00 0.00 66.00 66.12 3iur h PRO 117 Cb 1.05 -0.15 -0.11 0.00 0.11 0.00 0.00 31.00 31.90 3iur h PRO 117 CO 0.82 0.44 0.56 -0.91 -0.21 0.00 0.00 178.00 178.70 3iur h ASN 118 N 0.69 0.69 -0.17 -2.05 2.35 -1.85 -0.28 115.58 114.96 3iur h ASN 118 Ca 0.31 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.17 3iur h ASN 118 Cb 0.33 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3iur h ASN 118 CO -0.10 0.23 0.00 0.35 -1.65 0.00 0.00 177.43 176.25 3iur n THR 119 N -4.82 0.21 0.31 2.81 -2.24 -1.10 -3.94 114.28 105.51 3iur n THR 119 Ca 0.22 -0.32 0.20 0.00 -2.27 0.00 0.00 64.05 61.89 3iur n THR 119 Cb 0.57 0.27 0.99 0.00 -2.10 0.00 0.00 70.33 70.06 3iur n THR 119 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3iur h LEU 120 N 1.90 0.00 -7.16 3.22 3.38 -1.13 -3.41 115.31 112.11 3iur h LEU 120 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3iur h LEU 120 Cb 0.42 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.93 3iur h LEU 120 CO 0.00 0.01 -0.17 -0.94 0.09 0.00 0.00 178.44 177.43 3iur s SER 121 N -5.43 -0.64 0.24 -0.43 1.04 -1.26 -4.93 113.70 102.29 3iur s SER 121 Ca -0.03 1.10 -0.31 0.00 0.48 0.00 0.00 55.95 57.18 3iur s SER 121 Cb 0.12 1.00 -0.12 0.00 0.10 0.00 0.00 66.02 67.12 3iur s SER 121 CO 0.47 -0.20 1.62 -2.65 0.98 0.00 0.00 173.24 173.46 3iur n PRO 122 N 3.93 2.58 -0.63 4.02 -0.02 -1.26 0.70 135.00 144.31 3iur n PRO 122 Ca -0.20 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3iur n PRO 122 Cb 0.56 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3iur n PRO 122 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3iur n ASP 123 N 3.00 -1.07 -4.17 2.55 9.92 -1.26 -4.48 116.55 121.04 3iur n ASP 123 Ca 0.13 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.06 3iur n ASP 123 Cb 0.34 -0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 40.59 3iur n ASP 123 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3iur n GLY 124 N -2.36 -0.33 0.31 0.44 0.00 0.22 -4.88 105.19 98.59 3iur n GLY 124 Ca 0.00 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.36 3iur n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iur n THR 125 N -4.63 0.00 -3.43 2.61 -2.24 -1.26 -4.82 114.28 100.51 3iur n THR 125 Ca -0.27 -0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 60.95 3iur n THR 125 Cb 0.66 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.61 3iur n THR 125 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3iur s THR 126 N -2.59 5.20 0.06 4.28 2.01 -1.26 -1.59 115.64 121.75 3iur s THR 126 Ca 0.19 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.43 3iur s THR 126 Cb 0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 3iur s THR 126 CO 0.59 0.03 -0.01 0.00 -0.69 0.00 0.00 174.62 174.55 3iur s ALA 127 N 1.98 3.25 -0.17 7.40 0.00 0.18 -4.72 121.76 129.67 3iur s ALA 127 Ca 0.12 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.76 3iur s ALA 127 Cb -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 3iur s ALA 127 CO 0.11 0.68 0.74 -1.17 0.00 0.00 0.00 175.76 176.11 3iur s LEU 128 N -2.06 4.18 0.00 0.00 2.96 -1.26 -1.00 118.68 121.49 3iur s LEU 128 Ca 0.23 1.04 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 3iur s LEU 128 Cb -0.12 -3.08 0.00 0.00 0.50 0.00 0.00 46.19 43.50 3iur s LEU 128 CO 0.15 -0.31 0.00 -0.67 -1.32 0.00 0.00 176.35 174.20 3iur n ASP 129 N 4.98 0.00 -4.83 3.68 -0.08 0.51 -4.97 116.55 115.83 3iur n ASP 129 Ca 0.01 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.95 3iur n ASP 129 Cb 0.49 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.89 3iur n ASP 129 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 3iur s GLN 130 N 0.27 4.10 -0.06 -0.67 -1.52 -1.24 -4.87 119.66 115.67 3iur s GLN 130 Ca 0.00 0.71 0.00 0.00 -1.95 0.00 0.00 55.36 54.12 3iur s GLN 130 Cb 0.00 -2.74 0.02 0.00 -0.22 0.00 0.00 33.01 30.08 3iur s GLN 130 CO 0.00 0.33 -0.03 -1.17 -0.25 0.00 0.00 175.29 174.17 3iur s LEU 131 N -2.33 1.08 -0.21 2.90 2.96 -1.26 -0.42 118.68 121.40 3iur s LEU 131 Ca 0.46 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 3iur s LEU 131 Cb -0.14 -0.48 0.11 0.00 0.50 0.00 0.00 46.19 46.18 3iur s LEU 131 CO 0.20 -0.10 0.39 -0.55 -1.32 0.00 0.00 176.35 174.96 3iur s SER 132 N 1.32 -0.00 0.33 3.68 0.15 0.54 -5.01 113.70 114.71 3iur s SER 132 Ca -0.05 0.63 -0.14 0.00 0.70 0.00 0.00 55.95 57.10 3iur s SER 132 Cb -0.13 1.21 -0.08 0.00 -1.71 0.00 0.00 66.02 65.30 3iur s SER 132 CO -0.02 -0.26 0.73 -0.36 1.20 0.00 0.00 173.24 174.53 3iur s PHE 133 N 2.57 3.39 1.00 3.44 0.08 -1.26 -1.06 117.98 126.14 3iur s PHE 133 Ca 0.05 1.17 -0.12 0.00 0.12 0.00 0.00 56.93 58.15 3iur s PHE 133 Cb -0.13 -2.51 0.19 0.00 -0.57 0.00 0.00 43.02 40.00 3iur s PHE 133 CO -0.14 0.07 1.08 -1.54 -0.10 0.00 0.00 175.22 174.59 3iur s SER 134 N -2.42 2.49 0.31 1.36 1.04 0.05 -4.83 113.70 111.70 3iur s SER 134 Ca 0.53 1.42 0.05 0.00 0.48 0.00 0.00 55.95 58.43 3iur s SER 134 Cb -0.10 -2.11 0.68 0.00 0.10 0.00 0.00 66.02 64.59 3iur s SER 134 CO 0.20 -3.25 1.83 -0.09 0.98 0.00 0.00 173.24 172.91 3iur h ARG 135 N -1.97 0.83 -0.00 4.02 9.65 -1.76 0.12 114.38 125.27 3iur h ARG 135 Ca -0.54 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.29 3iur h ARG 135 Cb 1.31 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3iur h ARG 135 CO 0.54 0.55 -0.11 -0.40 2.80 0.00 0.00 179.97 183.35 3iur n ASP 136 N -4.64 0.52 0.00 -3.80 5.68 -1.26 -4.82 116.55 108.22 3iur n ASP 136 Ca 0.20 -0.63 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 3iur n ASP 136 Cb 0.45 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 3iur n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iur n GLY 137 N 1.27 0.39 0.15 6.12 0.00 0.03 -3.71 105.19 109.45 3iur n GLY 137 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 3iur n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iur h ARG 138 N 0.88 0.00 -5.84 1.61 3.08 -1.92 -3.41 114.38 108.79 3iur h ARG 138 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3iur h ARG 138 Cb 0.27 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.03 3iur h ARG 138 CO 0.00 0.12 -0.84 0.42 -1.07 0.00 0.00 179.97 178.59 3iur s ILE 139 N -3.19 1.50 -0.15 2.04 -1.09 -1.26 -1.75 121.20 117.30 3iur s ILE 139 Ca 0.03 -0.82 0.01 0.00 -2.23 0.00 0.00 60.65 57.64 3iur s ILE 139 Cb 0.07 -1.25 0.00 0.00 -1.58 0.00 0.00 42.46 39.71 3iur s ILE 139 CO 0.74 0.42 -0.19 -0.22 -1.23 0.00 0.00 174.94 174.47 3iur s LEU 140 N -0.45 2.29 -0.17 2.97 2.96 -0.01 -0.77 118.68 125.50 3iur s LEU 140 Ca 0.07 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3iur s LEU 140 Cb -0.07 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 3iur s LEU 140 CO -0.01 0.08 0.00 0.00 -1.32 0.00 0.00 176.35 175.11 3iur s ALA 141 N 0.82 3.15 -0.03 5.97 0.00 -0.23 -0.58 121.76 130.87 3iur s ALA 141 Ca -0.06 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3iur s ALA 141 Cb -0.15 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3iur s ALA 141 CO -0.01 0.14 0.16 1.52 0.00 0.00 0.00 175.76 177.57 3iur s TYR 142 N 0.46 -0.07 -0.04 0.00 -0.85 -0.28 -0.34 117.35 116.22 3iur s TYR 142 Ca -0.01 0.16 -0.02 0.00 -0.52 0.00 0.00 57.07 56.67 3iur s TYR 142 Cb -0.14 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.17 3iur s TYR 142 CO 0.02 -0.20 0.10 -1.54 -1.52 0.00 0.00 175.55 172.41 3iur s SER 143 N -0.69 5.87 0.06 -0.18 1.04 0.44 0.06 113.70 120.31 3iur s SER 143 Ca -0.08 0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.68 3iur s SER 143 Cb -0.05 -1.76 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 3iur s SER 143 CO 0.01 0.32 -0.22 -0.76 0.98 0.00 0.00 173.24 173.56 3iur s LEU 144 N -1.47 2.21 0.11 2.42 1.43 -0.76 -0.36 118.68 122.26 3iur s LEU 144 Ca 0.20 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 3iur s LEU 144 Cb -0.12 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 3iur s LEU 144 CO 0.10 0.16 -0.26 -0.94 0.23 0.00 0.00 176.35 175.65 3iur s SER 145 N -1.40 3.12 -0.15 2.29 1.04 -0.17 -2.63 113.70 115.79 3iur s SER 145 Ca 0.09 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 55.82 3iur s SER 145 Cb -0.09 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.81 3iur s SER 145 CO 0.03 0.17 -0.18 -0.76 0.98 0.00 0.00 173.24 173.48 3iur s LEU 146 N -1.87 2.34 0.00 2.42 1.02 -1.26 -0.65 118.68 120.68 3iur s LEU 146 Ca 0.12 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.75 3iur s LEU 146 Cb -0.10 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.59 3iur s LEU 146 CO 0.05 0.09 0.00 0.00 0.02 0.00 0.00 176.35 176.51 3iur n ALA 147 N 4.03 0.00 -1.48 4.21 0.00 -0.62 -2.56 120.51 124.08 3iur n ALA 147 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 3iur n ALA 147 Cb 0.52 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.01 3iur n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iur n GLY 148 N 0.00 5.24 3.85 0.00 0.00 -1.26 -4.93 105.19 108.09 3iur n GLY 148 Ca 0.00 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 3iur n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iur s SER 149 N -0.92 6.70 0.27 1.61 0.15 -1.06 -4.98 113.70 115.48 3iur s SER 149 Ca 0.55 0.84 0.25 0.00 0.70 0.00 0.00 55.95 58.29 3iur s SER 149 Cb 0.43 -2.20 0.73 0.00 -1.71 0.00 0.00 66.02 63.26 3iur s SER 149 CO -0.18 0.27 1.74 0.44 1.20 0.00 0.00 173.24 176.72 3iur h ASP 150 N 4.34 0.00 -4.13 5.45 3.45 -1.93 -3.42 116.42 120.18 3iur h ASP 150 Ca -0.51 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.44 3iur h ASP 150 Cb 1.21 0.00 0.09 0.00 -0.56 0.00 0.00 39.33 40.07 3iur h ASP 150 CO 0.63 0.00 0.41 0.26 -1.57 0.00 0.00 179.24 178.97 3iur s TRP 151 N -3.15 2.62 0.07 4.55 0.52 -1.26 -4.33 118.94 117.96 3iur s TRP 151 Ca 0.09 1.55 -0.03 0.00 0.02 0.00 0.00 56.10 57.73 3iur s TRP 151 Cb 0.10 -3.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.14 3iur s TRP 151 CO 0.60 -1.67 0.04 1.03 0.02 0.00 0.00 176.95 176.97 3iur s ARG 152 N -3.63 0.70 -0.02 4.98 1.81 0.22 -4.49 118.95 118.51 3iur s ARG 152 Ca 0.71 -1.15 0.05 0.00 -1.72 0.00 0.00 55.73 53.61 3iur s ARG 152 Cb -0.23 0.25 -0.01 0.00 -0.45 0.00 0.00 34.95 34.51 3iur s ARG 152 CO 0.33 -0.16 -0.16 -1.21 -0.68 0.00 0.00 175.30 173.42 3iur s GLU 153 N -3.91 1.38 -0.33 3.54 2.02 -1.08 -2.05 118.70 118.28 3iur s GLU 153 Ca 0.07 -0.55 -0.11 0.00 0.02 0.00 0.00 54.97 54.40 3iur s GLU 153 Cb 0.07 -1.29 -0.01 0.00 0.10 0.00 0.00 34.13 33.00 3iur s GLU 153 CO -0.10 0.29 0.18 0.42 0.02 0.00 0.00 175.26 176.08 3iur s ILE 154 N -0.21 4.81 0.23 -1.63 1.01 -0.21 -1.82 121.20 123.37 3iur s ILE 154 Ca 0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 60.65 60.21 3iur s ILE 154 Cb -0.08 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 38.86 3iur s ILE 154 CO 0.00 0.02 0.50 -1.00 0.00 0.00 0.00 174.94 174.46 3iur s HIS 155 N 1.64 3.45 -0.15 3.97 3.76 0.11 -0.84 115.29 127.24 3iur s HIS 155 Ca 0.05 0.70 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3iur s HIS 155 Cb -0.17 -2.13 0.02 0.00 1.11 0.00 0.00 32.58 31.41 3iur s HIS 155 CO 0.08 0.28 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.61 3iur s LEU 156 N -3.02 1.63 -0.03 0.89 1.43 -1.26 -1.13 118.68 117.19 3iur s LEU 156 Ca 0.44 -0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3iur s LEU 156 Cb -0.11 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3iur s LEU 156 CO 0.25 -0.07 -0.24 -0.32 0.23 0.00 0.00 176.35 176.19 3iur s MET 157 N 1.52 2.12 -0.34 1.70 1.75 0.26 0.11 119.30 126.42 3iur s MET 157 Ca 0.05 -0.87 -0.27 0.00 -1.25 0.00 0.00 55.69 53.34 3iur s MET 157 Cb -0.13 -1.97 0.01 0.00 2.84 0.00 0.00 34.83 35.59 3iur s MET 157 CO -0.10 0.48 1.00 0.34 -0.65 0.00 0.00 175.02 176.09 3iur s ASP 158 N -0.45 6.82 0.45 1.11 2.15 -0.49 -0.83 116.67 125.44 3iur s ASP 158 Ca 0.06 0.85 0.17 0.00 0.43 0.00 0.00 52.55 54.05 3iur s ASP 158 Cb -0.11 -2.50 1.04 0.00 -0.30 0.00 0.00 42.92 41.05 3iur s ASP 158 CO 0.00 -0.85 1.98 -0.37 -0.17 0.00 0.00 175.17 175.76 3iur h VAL 159 N 5.76 1.05 -0.03 1.11 -1.51 -1.66 0.25 116.25 121.21 3iur h VAL 159 Ca -0.22 -0.71 -0.05 0.00 -1.23 0.00 0.00 66.70 64.49 3iur h VAL 159 Cb 1.07 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 3iur h VAL 159 CO 1.00 0.20 -0.17 -0.33 -1.23 0.00 0.00 177.57 177.04 3iur h GLU 160 N 0.00 0.18 0.00 5.19 4.39 -1.92 -3.29 114.58 119.13 3iur h GLU 160 Ca -0.00 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.55 3iur h GLU 160 Cb 0.38 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3iur h GLU 160 CO 0.03 0.80 -0.30 0.66 -1.16 0.00 0.00 179.01 179.04 3iur h SER 161 N -0.41 0.00 -0.57 1.42 4.64 -1.95 -3.47 113.55 113.22 3iur h SER 161 Ca -0.01 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.05 3iur h SER 161 Cb 0.84 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.83 3iur h SER 161 CO 0.04 0.01 -0.22 0.29 -0.87 0.00 0.00 176.83 176.07 3iur n LYS 162 N -2.81 -1.16 -4.08 4.77 5.02 0.89 -5.00 118.16 115.79 3iur n LYS 162 Ca 0.03 0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 56.95 3iur n LYS 162 Cb 0.51 -5.03 -0.05 0.00 -0.02 0.00 0.00 35.03 30.44 3iur n LYS 162 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iur s GLN 163 N -2.88 2.91 0.30 1.97 -1.52 -1.22 -4.87 119.66 114.34 3iur s GLN 163 Ca 0.00 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.23 3iur s GLN 163 Cb 0.00 -2.64 -0.12 0.00 -0.22 0.00 0.00 33.01 30.03 3iur s GLN 163 CO 0.00 0.48 1.51 -2.30 -0.25 0.00 0.00 175.29 174.72 3iur n PRO 164 N -0.43 2.48 0.02 2.91 -0.02 -1.26 -1.39 135.00 137.31 3iur n PRO 164 Ca -0.08 0.88 -0.22 0.00 -2.02 0.00 0.00 63.50 62.06 3iur n PRO 164 Cb 0.55 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.28 3iur n PRO 164 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iur h LEU 165 N 4.18 0.47 -8.72 2.45 5.85 -0.65 -3.44 115.31 115.46 3iur h LEU 165 Ca -0.47 -0.94 -0.34 0.00 0.84 0.00 0.00 57.88 56.97 3iur h LEU 165 Cb 1.25 -0.15 -0.14 0.00 0.37 0.00 0.00 40.66 41.98 3iur h LEU 165 CO 0.75 1.83 -0.55 -1.61 -0.34 0.00 0.00 178.44 178.52 3iur s GLU 166 N -2.56 1.45 0.37 1.25 2.02 -1.25 -5.06 118.70 114.93 3iur s GLU 166 Ca -0.21 -1.79 -0.26 0.00 0.02 0.00 0.00 54.97 52.74 3iur s GLU 166 Cb 0.06 0.30 -0.09 0.00 0.10 0.00 0.00 34.13 34.50 3iur s GLU 166 CO 0.79 -0.51 1.13 -0.08 0.02 0.00 0.00 175.26 176.61 3iur s THR 167 N -3.84 3.36 0.62 3.63 -1.32 -1.26 -4.57 115.64 112.26 3iur s THR 167 Ca 0.39 1.16 -0.18 0.00 -1.21 0.00 0.00 61.69 61.86 3iur s THR 167 Cb 0.05 -3.66 -0.02 0.00 -1.51 0.00 0.00 72.50 67.35 3iur s THR 167 CO 0.19 0.12 1.22 -2.16 -2.21 0.00 0.00 174.62 171.78 3iur s PRO 168 N -2.17 2.82 0.18 7.08 0.04 -1.26 -4.86 135.00 136.83 3iur s PRO 168 Ca 0.54 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 3iur s PRO 168 Cb -0.29 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3iur s PRO 168 CO 0.36 -1.33 1.02 -0.51 0.04 0.00 0.00 177.00 176.58 3iur s LEU 169 N -4.24 4.53 0.38 -3.56 1.43 -0.02 -4.85 118.68 112.35 3iur s LEU 169 Ca 0.78 1.97 0.08 0.00 -1.03 0.00 0.00 54.13 55.93 3iur s LEU 169 Cb -0.31 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 3iur s LEU 169 CO 0.35 -0.08 0.23 -0.54 0.23 0.00 0.00 176.35 176.54 3iur s LYS 170 N -0.49 2.42 -1.50 1.70 1.02 -1.26 -1.04 119.74 120.59 3iur s LYS 170 Ca 0.46 -1.59 -0.13 0.00 0.02 0.00 0.00 55.97 54.74 3iur s LYS 170 Cb -0.27 -2.22 0.07 0.00 -0.52 0.00 0.00 37.83 34.89 3iur s LYS 170 CO 0.33 -0.03 1.00 -0.25 -0.92 0.00 0.00 175.35 175.48 3iur n ASP 171 N -1.31 -5.14 -4.88 2.83 8.00 -1.23 -4.97 116.55 109.85 3iur n ASP 171 Ca -0.01 -0.71 -0.31 0.00 0.71 0.00 0.00 54.79 54.47 3iur n ASP 171 Cb 0.62 -4.09 -0.05 0.00 -0.02 0.00 0.00 41.12 37.58 3iur n ASP 171 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iur s VAL 172 N -3.29 4.98 -0.23 2.53 1.01 -0.87 -4.49 120.40 120.05 3iur s VAL 172 Ca 0.64 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 3iur s VAL 172 Cb -0.31 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.50 3iur s VAL 172 CO 0.79 -0.08 0.66 -0.75 0.00 0.00 0.00 175.10 175.72 3iur s LYS 173 N -2.88 0.80 -1.36 2.72 2.20 -1.24 -0.61 119.74 119.38 3iur s LYS 173 Ca 0.46 0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 56.81 3iur s LYS 173 Cb -0.11 0.39 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3iur s LYS 173 CO 0.23 -0.12 0.44 1.19 -0.36 0.00 0.00 175.35 176.73 3iur n PHE 174 N 2.51 -1.56 -4.44 4.03 3.72 -1.26 -4.47 117.46 115.99 3iur n PHE 174 Ca -0.14 0.55 -0.26 0.00 -0.05 0.00 0.00 57.45 57.54 3iur n PHE 174 Cb 0.56 -3.32 -0.13 0.00 -0.94 0.00 0.00 39.48 35.65 3iur n PHE 174 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iur s SER 175 N -4.07 2.78 0.54 4.37 0.15 -1.26 -4.83 113.70 111.38 3iur s SER 175 Ca 0.17 -0.66 0.09 0.00 0.70 0.00 0.00 55.95 56.25 3iur s SER 175 Cb -0.08 -0.19 0.09 0.00 -1.71 0.00 0.00 66.02 64.14 3iur s SER 175 CO 0.92 0.13 0.73 0.61 1.20 0.00 0.00 173.24 176.83 3iur n GLY 176 N 1.25 2.00 2.64 9.45 0.00 -1.26 -4.92 105.19 114.35 3iur n GLY 176 Ca -0.18 -2.22 -0.25 0.00 0.00 0.00 0.00 46.02 43.37 3iur n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iur s ILE 177 N -2.37 -0.02 -0.13 -0.61 1.01 -1.26 -4.39 121.20 113.43 3iur s ILE 177 Ca 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 3iur s ILE 177 Cb -0.04 -0.52 0.03 0.00 0.01 0.00 0.00 42.46 41.94 3iur s ILE 177 CO 0.35 -0.15 -0.04 -0.55 0.00 0.00 0.00 174.94 174.56 3iur s SER 178 N 2.11 2.31 0.38 3.58 0.15 -0.88 -4.84 113.70 116.51 3iur s SER 178 Ca 0.03 -0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.02 3iur s SER 178 Cb -0.15 -0.73 -0.09 0.00 -1.71 0.00 0.00 66.02 63.33 3iur s SER 178 CO -0.07 -0.18 1.01 0.26 1.20 0.00 0.00 173.24 175.46 3iur s TRP 179 N 1.77 3.38 -0.42 3.44 0.52 -1.26 -0.51 118.94 125.86 3iur s TRP 179 Ca 0.03 1.68 -0.05 0.00 0.02 0.00 0.00 56.10 57.78 3iur s TRP 179 Cb -0.14 -3.05 0.11 0.00 -1.15 0.00 0.00 33.47 29.24 3iur s TRP 179 CO -0.07 -0.36 0.24 -1.17 0.02 0.00 0.00 176.95 175.61 3iur s LEU 180 N -2.53 5.29 0.00 2.99 2.96 0.10 -4.69 118.68 122.79 3iur s LEU 180 Ca 0.56 -1.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.56 3iur s LEU 180 Cb -0.20 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.61 3iur s LEU 180 CO 0.25 -0.57 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 3iur n GLY 181 N 4.71 3.39 0.27 7.98 0.00 -1.26 -2.04 105.19 118.24 3iur n GLY 181 Ca -0.05 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3iur n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iur n ASN 182 N 4.44 2.59 0.10 1.61 3.02 -1.26 -2.01 115.26 123.75 3iur n ASN 182 Ca 0.00 -2.58 -0.23 0.00 -0.03 0.00 0.00 54.58 51.74 3iur n ASN 182 Cb 0.00 -0.29 -0.15 0.00 -0.61 0.00 0.00 39.78 38.73 3iur n ASN 182 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3iur h GLU 183 N 0.60 0.43 0.00 3.52 5.08 -1.83 -3.47 114.58 118.91 3iur h GLU 183 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 3iur h GLU 183 Cb 0.88 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3iur h GLU 183 CO 0.04 1.35 0.00 0.41 -1.00 0.00 0.00 179.01 179.81 3iur n GLY 184 N 1.72 -1.11 3.17 -3.84 0.00 -1.23 -0.85 105.19 103.06 3iur n GLY 184 Ca -0.18 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 3iur n GLY 184 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iur s PHE 185 N -3.00 0.19 0.09 1.61 -0.12 -0.66 -0.72 117.98 115.37 3iur s PHE 185 Ca 0.00 -0.57 -0.10 0.00 -0.05 0.00 0.00 56.93 56.21 3iur s PHE 185 Cb 0.00 -0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.22 3iur s PHE 185 CO 0.00 -0.47 0.41 -0.06 -0.05 0.00 0.00 175.22 175.06 3iur s PHE 186 N -3.38 3.58 0.27 3.49 0.08 0.33 -0.69 117.98 121.67 3iur s PHE 186 Ca 0.01 0.81 -0.14 0.00 0.12 0.00 0.00 56.93 57.73 3iur s PHE 186 Cb 0.03 -2.17 0.01 0.00 -0.57 0.00 0.00 43.02 40.31 3iur s PHE 186 CO -0.08 0.50 0.55 1.52 -0.10 0.00 0.00 175.22 177.61 3iur s TYR 187 N -1.42 0.30 0.12 0.36 -0.85 -0.38 -2.07 117.35 113.41 3iur s TYR 187 Ca 0.34 -0.69 0.10 0.00 -0.52 0.00 0.00 57.07 56.29 3iur s TYR 187 Cb -0.14 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.48 3iur s TYR 187 CO 0.18 -1.10 -0.21 -1.12 -1.52 0.00 0.00 175.55 171.78 3iur s SER 188 N -3.02 3.69 -0.04 -0.18 0.01 -1.26 -0.67 113.70 112.22 3iur s SER 188 Ca 0.20 -0.62 -0.31 0.00 1.31 0.00 0.00 55.95 56.54 3iur s SER 188 Cb -0.02 -0.44 0.07 0.00 0.21 0.00 0.00 66.02 65.84 3iur s SER 188 CO 0.10 0.18 0.68 -0.55 0.41 0.00 0.00 173.24 174.06 3iur s SER 189 N -2.08 -0.65 0.22 2.44 0.15 -0.16 -3.60 113.70 110.02 3iur s SER 189 Ca 0.16 0.69 0.17 0.00 0.70 0.00 0.00 55.95 57.68 3iur s SER 189 Cb -0.10 0.54 0.02 0.00 -1.71 0.00 0.00 66.02 64.77 3iur s SER 189 CO 0.08 -0.62 1.22 1.88 1.20 0.00 0.00 173.24 177.01 3iur h TYR 190 N 2.96 0.00 -3.44 3.44 0.05 -1.81 -0.13 116.97 118.04 3iur h TYR 190 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3iur h TYR 190 Cb 1.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.89 3iur h TYR 190 CO 0.37 0.42 0.00 -0.25 -1.05 0.00 0.00 178.16 177.65 3iur n ASP 191 N -3.04 0.52 -4.04 3.88 8.00 -1.26 -4.78 116.55 115.82 3iur n ASP 191 Ca -0.02 -0.44 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 3iur n ASP 191 Cb 0.73 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.68 3iur n ASP 191 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iur s LYS 192 N 0.52 1.99 -1.20 -1.24 1.02 -1.26 -4.95 119.74 114.62 3iur s LYS 192 Ca 0.00 -1.42 -0.09 0.00 0.02 0.00 0.00 55.97 54.48 3iur s LYS 192 Cb 0.00 -2.91 0.21 0.00 -0.52 0.00 0.00 37.83 34.61 3iur s LYS 192 CO 0.00 -0.66 1.61 -2.30 -0.92 0.00 0.00 175.35 173.08 3iur n PRO 193 N 4.42 3.75 0.00 -1.68 -0.02 -1.26 -5.00 135.00 135.21 3iur n PRO 193 Ca -0.10 -3.93 0.00 0.00 -2.02 0.00 0.00 63.50 57.45 3iur n PRO 193 Cb 0.42 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3iur n PRO 193 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3iur n THR 202 N 3.10 0.00 -1.89 3.45 -2.24 -1.26 -4.88 114.28 110.56 3iur n THR 202 Ca 0.34 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 62.10 3iur n THR 202 Cb 0.37 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.73 3iur n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3iur n ASP 203 N 0.00 2.42 -4.16 3.42 5.75 -1.26 -4.96 116.55 117.76 3iur n ASP 203 Ca 0.00 -3.52 -0.38 0.00 -0.01 0.00 0.00 54.79 50.88 3iur n ASP 203 Cb 0.00 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.54 3iur n ASP 203 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3iur s GLN 204 N -2.95 2.26 0.25 0.11 -0.21 -1.26 -3.96 119.66 113.90 3iur s GLN 204 Ca 0.40 -1.88 -0.30 0.00 0.02 0.00 0.00 55.36 53.61 3iur s GLN 204 Cb 0.38 -3.74 -0.09 0.00 1.00 0.00 0.00 33.01 30.56 3iur s GLN 204 CO -0.05 -1.13 1.06 -1.58 -2.12 0.00 0.00 175.29 171.46 3iur s HIS 205 N 1.10 3.69 0.09 0.91 2.46 -0.04 -4.59 115.29 118.91 3iur s HIS 205 Ca 0.08 1.74 0.06 0.00 0.47 0.00 0.00 55.06 57.41 3iur s HIS 205 Cb -0.24 -3.20 -0.03 0.00 -0.13 0.00 0.00 32.58 28.98 3iur s HIS 205 CO -0.03 -0.30 -0.15 0.15 -2.47 0.00 0.00 174.74 171.95 3iur s LYS 206 N -1.19 0.93 -0.16 2.88 1.02 -0.06 -4.58 119.74 118.57 3iur s LYS 206 Ca 0.44 -1.09 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 3iur s LYS 206 Cb -0.30 -0.92 -0.05 0.00 -0.52 0.00 0.00 37.83 36.04 3iur s LYS 206 CO 0.38 0.20 0.21 0.08 -0.92 0.00 0.00 175.35 175.29 3iur s VAL 207 N -1.60 5.36 0.15 3.17 1.01 -0.46 -0.99 120.40 127.04 3iur s VAL 207 Ca 0.03 0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.46 3iur s VAL 207 Cb -0.08 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3iur s VAL 207 CO 0.03 0.45 -0.19 -0.31 0.00 0.00 0.00 175.10 175.08 3iur s TYR 208 N 0.15 1.79 -0.18 5.22 2.02 0.15 -0.01 117.35 126.49 3iur s TYR 208 Ca 0.13 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 3iur s TYR 208 Cb -0.12 -0.92 -0.00 0.00 -0.40 0.00 0.00 41.96 40.52 3iur s TYR 208 CO 0.02 0.29 -0.13 0.12 -1.57 0.00 0.00 175.55 174.28 3iur s PHE 209 N -1.81 2.84 -0.27 2.71 5.36 -0.39 -1.25 117.98 125.16 3iur s PHE 209 Ca 0.13 -1.09 -0.10 0.00 -0.96 0.00 0.00 56.93 54.91 3iur s PHE 209 Cb -0.07 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.61 3iur s PHE 209 CO 0.06 -0.54 0.16 -1.58 -1.46 0.00 0.00 175.22 171.86 3iur s HIS 210 N 1.06 3.18 -0.09 10.12 5.65 0.14 -2.38 115.29 132.98 3iur s HIS 210 Ca -0.00 -0.05 -0.17 0.00 0.25 0.00 0.00 55.06 55.09 3iur s HIS 210 Cb -0.15 -2.34 -0.05 0.00 -1.18 0.00 0.00 32.58 28.86 3iur s HIS 210 CO -0.03 -0.23 0.43 0.50 -0.65 0.00 0.00 174.74 174.76 3iur s ARG 211 N 1.72 4.20 0.35 2.88 3.52 -1.26 -1.65 118.95 128.71 3iur s ARG 211 Ca 0.07 0.39 -0.28 0.00 -0.13 0.00 0.00 55.73 55.78 3iur s ARG 211 Cb -0.16 -3.37 -0.11 0.00 -1.56 0.00 0.00 34.95 29.76 3iur s ARG 211 CO 0.09 0.34 1.42 -0.51 -0.81 0.00 0.00 175.30 175.82 3iur s LEU 212 N 0.06 4.36 0.00 -0.88 1.43 -0.03 -2.60 118.68 121.02 3iur s LEU 212 Ca 0.24 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.24 3iur s LEU 212 Cb -0.15 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.41 3iur s LEU 212 CO 0.10 -0.74 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3iur n GLY 213 N 0.68 0.78 3.31 -3.19 0.00 -1.26 -4.99 105.19 100.51 3iur n GLY 213 Ca 0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 3iur n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iur s THR 214 N -2.00 0.87 0.30 2.61 -4.23 -1.07 -5.14 115.64 106.98 3iur s THR 214 Ca 0.00 -2.01 -0.18 0.00 -1.18 0.00 0.00 61.69 58.32 3iur s THR 214 Cb 0.00 -2.35 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 3iur s THR 214 CO 0.00 -0.30 0.77 0.00 -0.54 0.00 0.00 174.62 174.55 3iur s ALA 215 N -3.53 3.31 0.33 3.99 0.00 -1.26 -4.90 121.76 119.70 3iur s ALA 215 Ca 0.29 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.48 3iur s ALA 215 Cb 0.06 -2.85 0.77 0.00 0.00 0.00 0.00 23.12 21.10 3iur s ALA 215 CO 0.09 0.30 1.83 0.37 0.00 0.00 0.00 175.76 178.35 3iur h GLN 216 N 2.66 0.72 0.00 0.00 4.15 -1.95 0.15 115.11 120.84 3iur h GLN 216 Ca -0.48 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.90 3iur h GLN 216 Cb 1.18 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.71 3iur h GLN 216 CO 0.65 0.48 0.07 1.05 -1.93 0.00 0.00 178.83 179.14 3iur h GLU 217 N 0.74 0.00 -0.38 1.69 4.11 -1.94 -0.37 114.58 118.43 3iur h GLU 217 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 3iur h GLU 217 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3iur h GLU 217 CO -0.27 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.56 3iur n ASP 218 N -2.75 3.15 -4.73 3.06 8.00 0.04 -4.82 116.55 118.50 3iur n ASP 218 Ca -0.02 -1.95 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 3iur n ASP 218 Cb 0.12 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.95 3iur n ASP 218 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iur n ASP 219 N 1.28 3.88 -4.71 -2.24 8.00 -0.15 -4.93 116.55 117.68 3iur n ASP 219 Ca 0.19 1.12 -0.42 0.00 0.71 0.00 0.00 54.79 56.39 3iur n ASP 219 Cb 0.55 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 3iur n ASP 219 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3iur s ARG 220 N 0.10 4.42 -0.20 -1.24 3.52 -1.00 -4.81 118.95 119.74 3iur s ARG 220 Ca 0.68 1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 57.77 3iur s ARG 220 Cb -0.50 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.52 3iur s ARG 220 CO 0.43 -0.28 1.18 -1.17 -0.81 0.00 0.00 175.30 174.64 3iur s LEU 221 N 1.17 4.13 -0.21 -0.88 1.98 -1.26 -1.26 118.68 122.35 3iur s LEU 221 Ca 0.59 1.54 0.00 0.00 -2.89 0.00 0.00 54.13 53.37 3iur s LEU 221 Cb -0.29 -3.54 -0.20 0.00 0.66 0.00 0.00 46.19 42.81 3iur s LEU 221 CO 0.29 -0.75 -0.01 0.52 -1.89 0.00 0.00 176.35 174.51 3iur n VAL 222 N 5.41 1.58 -3.53 1.68 0.31 0.99 -4.98 118.33 119.78 3iur n VAL 222 Ca 0.13 -0.61 -0.17 0.00 -0.01 0.00 0.00 64.34 63.68 3iur n VAL 222 Cb 0.45 -1.47 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 3iur n VAL 222 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3iur s PHE 223 N -2.53 -0.61 0.00 3.52 5.36 -1.15 -4.96 117.98 117.61 3iur s PHE 223 Ca -0.29 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3iur s PHE 223 Cb 0.08 0.40 0.00 0.00 -0.34 0.00 0.00 43.02 43.16 3iur s PHE 223 CO 0.67 -0.61 0.00 0.41 -1.46 0.00 0.00 175.22 174.23 3iur n GLY 224 N 0.84 0.50 0.11 13.12 0.00 -1.26 -1.36 105.19 117.14 3iur n GLY 224 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 3iur n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iur h ALA 225 N 0.00 0.17 -2.47 4.61 0.00 -1.88 -3.36 119.26 116.32 3iur h ALA 225 Ca 0.00 -1.02 -0.49 0.00 0.00 0.00 0.00 54.91 53.40 3iur h ALA 225 Cb 0.00 0.46 0.06 0.00 0.00 0.00 0.00 17.79 18.31 3iur h ALA 225 CO 0.00 0.66 0.41 0.96 0.00 0.00 0.00 179.25 181.27 3iur s ILE 226 N -2.41 3.43 0.28 0.00 -4.36 -1.26 -4.83 121.20 112.05 3iur s ILE 226 Ca -0.22 0.85 -0.02 0.00 -0.26 0.00 0.00 60.65 61.00 3iur s ILE 226 Cb 0.04 -3.33 0.35 0.00 1.25 0.00 0.00 42.46 40.76 3iur s ILE 226 CO 0.71 -0.23 1.60 -0.65 0.24 0.00 0.00 174.94 176.61 3iur h PRO 227 N 1.15 0.07 0.00 0.37 0.11 -1.99 0.22 132.00 131.93 3iur h PRO 227 Ca -0.49 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3iur h PRO 227 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iur h PRO 227 CO 0.57 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.41 3iur n ALA 228 N -3.04 1.28 0.52 -0.75 0.00 -1.26 -2.15 120.51 115.10 3iur n ALA 228 Ca 0.19 0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.81 3iur n ALA 228 Cb 0.62 -1.29 0.07 0.00 0.00 0.00 0.00 19.45 18.85 3iur n ALA 228 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3iur n GLN 229 N -2.09 1.08 -1.77 0.00 6.02 0.77 -4.99 117.38 116.40 3iur n GLN 229 Ca 0.00 -1.40 -0.42 0.00 -0.01 0.00 0.00 57.00 55.18 3iur n GLN 229 Cb 0.10 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 3iur n GLN 229 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3iur s HIS 230 N -1.15 1.62 0.04 1.08 3.76 -0.92 -4.23 115.29 115.49 3iur s HIS 230 Ca 0.17 -0.22 -0.10 0.00 -0.15 0.00 0.00 55.06 54.77 3iur s HIS 230 Cb 0.12 -4.15 0.01 0.00 1.11 0.00 0.00 32.58 29.67 3iur s HIS 230 CO 0.18 -5.01 0.21 -1.01 -0.85 0.00 0.00 174.74 168.26 3iur s HIS 231 N 4.02 0.03 0.20 1.40 3.76 -1.26 -5.05 115.29 118.40 3iur s HIS 231 Ca 0.83 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 55.58 3iur s HIS 231 Cb -0.41 -0.01 0.11 0.00 1.11 0.00 0.00 32.58 33.38 3iur s HIS 231 CO 0.38 -0.44 1.47 -0.09 -0.85 0.00 0.00 174.74 175.20 3iur h ARG 232 N 3.43 0.04 -3.78 1.40 2.43 -1.61 -0.06 114.38 116.22 3iur h ARG 232 Ca -0.32 -0.04 -0.39 0.00 -0.81 0.00 0.00 59.98 58.43 3iur h ARG 232 Cb 1.19 0.01 -0.35 0.00 -0.42 0.00 0.00 29.97 30.40 3iur h ARG 232 CO 0.48 0.80 -0.76 0.71 -1.51 0.00 0.00 179.97 179.69 3iur s TYR 233 N -3.26 0.51 0.08 2.20 2.02 0.18 -4.15 117.35 114.92 3iur s TYR 233 Ca -0.01 -0.09 0.06 0.00 -0.37 0.00 0.00 57.07 56.66 3iur s TYR 233 Cb 0.11 -0.58 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 3iur s TYR 233 CO 0.79 -0.20 -0.15 0.14 -1.57 0.00 0.00 175.55 174.57 3iur s VAL 234 N 1.27 1.19 0.04 0.71 -7.23 -1.26 -0.20 120.40 114.92 3iur s VAL 234 Ca -0.06 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3iur s VAL 234 Cb -0.13 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 3iur s VAL 234 CO -0.02 -0.22 -0.02 -0.83 -0.31 0.00 0.00 175.10 173.70 3iur s GLY 235 N -1.82 0.37 -0.03 2.32 0.00 -0.21 -4.81 107.32 103.15 3iur s GLY 235 Ca -0.00 -0.95 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 3iur s GLY 235 CO 0.03 -1.04 0.06 0.00 0.00 0.00 0.00 173.10 172.14 3iur s ALA 236 N -2.98 -0.07 -0.01 3.20 0.00 -1.26 -0.82 121.76 119.81 3iur s ALA 236 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.23 3iur s ALA 236 Cb 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3iur s ALA 236 CO -0.07 -0.07 -0.01 0.99 0.00 0.00 0.00 175.76 176.60 3iur s THR 237 N 0.57 0.17 -0.14 0.00 2.01 -0.11 -4.54 115.64 113.59 3iur s THR 237 Ca -0.05 -0.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.90 3iur s THR 237 Cb -0.06 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 3iur s THR 237 CO -0.02 0.09 0.03 -0.69 -0.69 0.00 0.00 174.62 173.35 3iur s VAL 238 N 0.44 4.57 0.71 3.82 1.01 -1.26 -0.47 120.40 129.22 3iur s VAL 238 Ca -0.04 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3iur s VAL 238 Cb -0.07 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.34 3iur s VAL 238 CO -0.01 0.52 1.16 0.42 0.00 0.00 0.00 175.10 177.20 3iur s THR 239 N -0.13 2.69 0.47 3.92 -4.23 -0.49 -4.87 115.64 113.00 3iur s THR 239 Ca 0.06 0.33 0.22 0.00 -1.18 0.00 0.00 61.69 61.12 3iur s THR 239 Cb -0.12 -2.85 0.41 0.00 1.34 0.00 0.00 72.50 71.27 3iur s THR 239 CO 0.02 -0.19 1.89 -0.08 -0.54 0.00 0.00 174.62 175.71 3iur h GLU 240 N -0.22 0.23 -0.15 3.99 4.81 -1.96 0.24 114.58 121.52 3iur h GLU 240 Ca -0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3iur h GLU 240 Cb 1.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 3iur h GLU 240 CO 0.51 0.15 0.00 -0.40 -0.73 0.00 0.00 179.01 178.55 3iur n ASP 241 N -4.42 1.05 -1.49 1.04 5.68 -1.26 -4.91 116.55 112.24 3iur n ASP 241 Ca 0.17 -1.79 -0.19 0.00 -0.50 0.00 0.00 54.79 52.48 3iur n ASP 241 Cb 0.74 -0.10 -0.08 0.00 -1.14 0.00 0.00 41.12 40.54 3iur n ASP 241 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3iur n ASP 242 N -0.01 -5.41 0.01 -1.12 8.00 0.85 -4.89 116.55 113.98 3iur n ASP 242 Ca 0.11 0.48 -0.15 0.00 0.71 0.00 0.00 54.79 55.94 3iur n ASP 242 Cb 0.20 -4.63 -0.14 0.00 -0.02 0.00 0.00 41.12 36.53 3iur n ASP 242 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3iur h ARG 243 N 0.00 0.16 -6.21 -1.24 2.43 -1.91 -3.45 114.38 104.17 3iur h ARG 243 Ca -0.40 -0.28 -0.60 0.00 -0.81 0.00 0.00 59.98 57.90 3iur h ARG 243 Cb 1.29 0.10 -0.25 0.00 -0.42 0.00 0.00 29.97 30.69 3iur h ARG 243 CO 0.58 0.92 -0.85 -0.06 -1.51 0.00 0.00 179.97 179.06 3iur s PHE 244 N -2.59 1.90 -0.19 2.20 0.08 -1.26 -0.27 117.98 117.84 3iur s PHE 244 Ca -0.13 -0.38 -0.04 0.00 0.12 0.00 0.00 56.93 56.50 3iur s PHE 244 Cb 0.07 -1.12 -0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3iur s PHE 244 CO 0.81 0.12 -0.02 -1.17 -0.10 0.00 0.00 175.22 174.86 3iur s LEU 245 N -1.30 3.16 -0.16 -0.37 2.96 -0.45 -1.40 118.68 121.12 3iur s LEU 245 Ca 0.08 -0.24 -0.01 0.00 -0.22 0.00 0.00 54.13 53.74 3iur s LEU 245 Cb -0.09 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3iur s LEU 245 CO 0.02 0.07 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.25 3iur s LEU 246 N 0.97 2.72 -0.16 -0.68 2.01 0.38 -0.91 118.68 123.02 3iur s LEU 246 Ca 0.01 -0.37 0.01 0.00 0.01 0.00 0.00 54.13 53.79 3iur s LEU 246 Cb -0.14 -1.64 0.00 0.00 0.01 0.00 0.00 46.19 44.42 3iur s LEU 246 CO 0.01 0.10 -0.17 -0.63 1.01 0.00 0.00 176.35 176.68 3iur s ILE 247 N 0.72 2.49 0.06 -0.59 1.01 -0.11 -0.93 121.20 123.85 3iur s ILE 247 Ca -0.05 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.79 3iur s ILE 247 Cb -0.15 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3iur s ILE 247 CO 0.02 0.52 0.11 -0.94 0.00 0.00 0.00 174.94 174.64 3iur s SER 248 N 0.94 5.73 -0.07 3.58 1.04 -0.00 -0.73 113.70 124.19 3iur s SER 248 Ca -0.03 0.08 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 3iur s SER 248 Cb -0.15 -1.61 0.04 0.00 0.10 0.00 0.00 66.02 64.40 3iur s SER 248 CO -0.03 0.19 0.14 0.00 0.98 0.00 0.00 173.24 174.53 3iur s ALA 249 N -1.38 -0.26 0.07 5.32 0.00 -0.67 -1.04 121.76 123.81 3iur s ALA 249 Ca 0.29 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.85 3iur s ALA 249 Cb -0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3iur s ALA 249 CO 0.22 -0.17 0.14 0.00 0.00 0.00 0.00 175.76 175.95 3iur s ALA 250 N 1.22 -0.09 -0.21 0.00 0.00 0.73 -0.07 121.76 123.33 3iur s ALA 250 Ca -0.09 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.27 3iur s ALA 250 Cb -0.12 0.41 -0.12 0.00 0.00 0.00 0.00 23.12 23.29 3iur s ALA 250 CO -0.06 -0.45 0.28 0.09 0.00 0.00 0.00 175.76 175.62 3iur n ASN 251 N 0.11 1.69 -1.48 0.00 5.03 -1.26 -0.65 115.26 118.70 3iur n ASN 251 Ca -0.16 -0.35 -0.03 0.00 0.87 0.00 0.00 54.58 54.92 3iur n ASN 251 Cb 0.61 1.21 0.00 0.00 -1.02 0.00 0.00 39.78 40.58 3iur n ASN 251 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3iur n SER 252 N -1.51 -0.47 0.16 6.41 3.41 -1.26 -4.78 113.62 115.58 3iur n SER 252 Ca -0.00 -1.44 0.13 0.00 -0.26 0.00 0.00 58.87 57.30 3iur n SER 252 Cb 0.19 0.82 0.49 0.00 -0.26 0.00 0.00 64.21 65.44 3iur n SER 252 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3iur h THR 253 N 1.25 0.00 -3.62 6.66 1.35 -2.03 -3.42 112.91 113.11 3iur h THR 253 Ca -0.08 -0.41 -0.68 0.00 -0.55 0.00 0.00 66.41 64.68 3iur h THR 253 Cb 0.31 1.29 -0.26 0.00 -1.73 0.00 0.00 68.15 67.76 3iur h THR 253 CO 0.10 0.00 -0.59 -0.94 -0.25 0.00 0.00 175.52 173.84 3iur s SER 254 N -4.79 5.31 0.00 5.36 1.04 -1.26 -4.98 113.70 114.38 3iur s SER 254 Ca 0.05 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.70 3iur s SER 254 Cb 0.10 -1.92 0.00 0.00 0.10 0.00 0.00 66.02 64.30 3iur s SER 254 CO 0.50 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.09 3iur n GLY 255 N 4.90 -1.29 3.42 7.32 0.00 -1.26 -4.87 105.19 113.40 3iur n GLY 255 Ca -0.14 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.33 3iur n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iur s ASN 256 N -1.90 -0.50 0.57 1.61 2.20 -0.90 -4.58 114.94 111.44 3iur s ASN 256 Ca 0.00 0.70 -0.07 0.00 -0.94 0.00 0.00 52.86 52.55 3iur s ASN 256 Cb 0.00 0.71 -0.01 0.00 -2.00 0.00 0.00 41.25 39.95 3iur s ASN 256 CO 0.00 -0.40 0.90 -0.13 -2.94 0.00 0.00 177.10 174.53 3iur s ARG 257 N -0.65 3.19 -0.11 3.55 0.52 0.90 -4.60 118.95 121.75 3iur s ARG 257 Ca -0.07 0.20 -0.08 0.00 -0.52 0.00 0.00 55.73 55.26 3iur s ARG 257 Cb -0.03 -2.25 0.04 0.00 0.52 0.00 0.00 34.95 33.23 3iur s ARG 257 CO 0.05 -0.57 0.27 -1.17 0.02 0.00 0.00 175.30 173.90 3iur s LEU 258 N -4.98 0.62 0.12 2.53 2.96 -0.45 -1.66 118.68 117.81 3iur s LEU 258 Ca 0.52 0.57 0.07 0.00 -0.22 0.00 0.00 54.13 55.08 3iur s LEU 258 Cb -0.11 0.88 -0.04 0.00 0.50 0.00 0.00 46.19 47.43 3iur s LEU 258 CO 0.47 -0.14 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.88 3iur s TYR 259 N 0.76 1.61 -0.00 5.38 2.02 0.09 -0.38 117.35 126.83 3iur s TYR 259 Ca -0.05 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3iur s TYR 259 Cb -0.06 -0.86 -0.01 0.00 -0.40 0.00 0.00 41.96 40.63 3iur s TYR 259 CO -0.05 0.20 -0.14 0.54 -1.57 0.00 0.00 175.55 174.53 3iur s VAL 260 N -1.61 1.11 -0.08 0.71 0.11 0.03 -0.93 120.40 119.74 3iur s VAL 260 Ca 0.08 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.49 3iur s VAL 260 Cb -0.08 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3iur s VAL 260 CO 0.04 0.28 -0.11 -0.75 -3.33 0.00 0.00 175.10 171.23 3iur s LYS 261 N -0.42 1.70 -0.60 1.54 2.20 -0.09 -0.51 119.74 123.55 3iur s LYS 261 Ca 0.05 -0.38 -0.27 0.00 -0.36 0.00 0.00 55.97 55.01 3iur s LYS 261 Cb -0.06 -1.50 0.03 0.00 -1.51 0.00 0.00 37.83 34.80 3iur s LYS 261 CO -0.00 -0.06 1.15 0.34 -0.36 0.00 0.00 175.35 176.41 3iur s ASP 262 N 0.98 6.37 0.05 1.43 -1.08 -1.26 -1.33 116.67 121.82 3iur s ASP 262 Ca -0.08 -0.12 0.19 0.00 -0.52 0.00 0.00 52.55 52.02 3iur s ASP 262 Cb -0.15 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.58 3iur s ASP 262 CO -0.00 -1.49 1.60 0.18 0.52 0.00 0.00 175.17 175.98 3iur n LEU 263 N 8.38 0.13 -0.10 -1.34 4.77 0.63 -2.48 117.00 127.00 3iur n LEU 263 Ca 0.06 0.53 0.15 0.00 -0.03 0.00 0.00 56.01 56.71 3iur n LEU 263 Cb 0.49 -0.50 0.83 0.00 -2.33 0.00 0.00 43.42 41.91 3iur n LEU 263 CO 0.70 -0.24 1.04 -1.54 -1.33 0.00 0.00 177.39 176.02 3iur n SER 264 N -1.64 0.30 -4.41 -1.43 3.41 -1.24 -4.77 113.62 103.84 3iur n SER 264 Ca 0.04 -1.13 -0.31 0.00 -0.26 0.00 0.00 58.87 57.21 3iur n SER 264 Cb 0.22 -0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.03 3iur n SER 264 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3iur s GLN 265 N -2.00 2.10 -0.08 4.33 -0.21 -1.03 -5.09 119.66 117.68 3iur s GLN 265 Ca 0.44 -0.95 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 3iur s GLN 265 Cb 0.21 -2.15 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 3iur s GLN 265 CO 0.35 0.55 1.42 -2.00 -2.12 0.00 0.00 175.29 173.49 3iur s GLU 266 N -1.14 4.24 -1.40 2.91 2.12 -1.26 -3.62 118.70 120.55 3iur s GLU 266 Ca 0.13 1.91 -0.03 0.00 0.36 0.00 0.00 54.97 57.34 3iur s GLU 266 Cb -0.10 -3.77 0.02 0.00 0.26 0.00 0.00 34.13 30.54 3iur s GLU 266 CO 0.03 -0.70 0.62 0.09 -0.54 0.00 0.00 175.26 174.76 3iur n ASN 267 N 6.36 -1.36 -4.77 -1.70 5.03 -1.26 -4.93 115.26 112.63 3iur n ASN 267 Ca 0.15 -0.90 -0.39 0.00 0.87 0.00 0.00 54.58 54.31 3iur n ASN 267 Cb 0.44 -3.56 -0.02 0.00 -1.02 0.00 0.00 39.78 35.62 3iur n ASN 267 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iur s ALA 268 N -3.72 3.25 0.77 5.41 0.00 -1.24 -5.02 121.76 121.20 3iur s ALA 268 Ca 0.12 1.02 -0.11 0.00 0.00 0.00 0.00 51.96 52.99 3iur s ALA 268 Cb -0.06 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.72 3iur s ALA 268 CO 0.85 -0.51 1.13 -1.25 0.00 0.00 0.00 175.76 175.98 3iur s PRO 269 N -2.10 2.23 0.12 0.00 0.04 -1.26 -4.85 135.00 129.18 3iur s PRO 269 Ca 0.54 0.14 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 3iur s PRO 269 Cb -0.33 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 3iur s PRO 269 CO 0.42 -1.39 0.86 -0.51 0.04 0.00 0.00 177.00 176.41 3iur s LEU 270 N -5.47 4.53 0.03 -3.56 1.43 -1.26 -4.59 118.68 109.79 3iur s LEU 270 Ca 0.61 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 3iur s LEU 270 Cb -0.11 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.65 3iur s LEU 270 CO 0.49 0.05 0.01 -0.76 0.23 0.00 0.00 176.35 176.37 3iur s LEU 271 N -0.43 3.55 -0.36 1.79 1.02 0.33 -4.92 118.68 119.66 3iur s LEU 271 Ca 0.41 -0.04 -0.23 0.00 0.02 0.00 0.00 54.13 54.29 3iur s LEU 271 Cb -0.23 -2.12 0.01 0.00 0.02 0.00 0.00 46.19 43.87 3iur s LEU 271 CO 0.27 0.24 0.79 -0.89 0.02 0.00 0.00 176.35 176.79 3iur s THR 272 N -1.18 4.72 -0.03 5.49 2.01 -1.26 -0.79 115.64 124.60 3iur s THR 272 Ca 0.22 0.90 -0.17 0.00 0.31 0.00 0.00 61.69 62.95 3iur s THR 272 Cb -0.12 -4.22 -0.32 0.00 0.01 0.00 0.00 72.50 67.86 3iur s THR 272 CO 0.14 -0.44 0.83 0.58 -0.69 0.00 0.00 174.62 175.03 3iur h VAL 273 N 5.76 1.26 -2.81 3.82 2.07 -0.94 -3.30 116.25 122.11 3iur h VAL 273 Ca -0.25 -2.56 -0.20 0.00 0.82 0.00 0.00 66.70 64.51 3iur h VAL 273 Cb 1.09 3.00 -0.32 0.00 -1.52 0.00 0.00 31.29 33.54 3iur h VAL 273 CO 0.92 0.76 -0.51 -1.58 0.02 0.00 0.00 177.57 177.17 3iur s GLN 274 N -2.51 0.17 0.00 1.57 0.74 -0.72 -3.46 119.66 115.44 3iur s GLN 274 Ca -0.14 0.77 0.26 0.00 0.05 0.00 0.00 55.36 56.31 3iur s GLN 274 Cb 0.03 -0.01 0.72 0.00 1.10 0.00 0.00 33.01 34.85 3iur s GLN 274 CO 0.86 -0.29 1.56 0.41 -0.55 0.00 0.00 175.29 177.28 3iur n GLY 275 N 5.36 0.40 3.63 2.59 0.00 -1.26 -1.34 105.19 114.56 3iur n GLY 275 Ca -0.06 -0.54 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3iur n GLY 275 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iur s ASP 276 N -1.97 3.51 -0.28 1.61 1.47 -1.26 -4.96 116.67 114.79 3iur s ASP 276 Ca 0.34 -1.54 0.11 0.00 1.18 0.00 0.00 52.55 52.64 3iur s ASP 276 Cb 0.21 0.19 0.60 0.00 -0.34 0.00 0.00 42.92 43.58 3iur s ASP 276 CO 0.32 -0.73 1.59 0.18 0.68 0.00 0.00 175.17 177.21 3iur n LEU 277 N -1.02 4.86 -0.04 2.11 4.77 -1.26 -3.78 117.00 122.63 3iur n LEU 277 Ca -0.10 -3.36 0.15 0.00 -0.03 0.00 0.00 56.01 52.66 3iur n LEU 277 Cb 0.67 -0.66 0.73 0.00 -2.33 0.00 0.00 43.42 41.82 3iur n LEU 277 CO 0.41 0.92 0.98 0.47 -1.33 0.00 0.00 177.39 178.84 3iur n ASP 278 N -0.65 0.17 -3.50 -1.43 8.00 -1.26 -4.09 116.55 113.79 3iur n ASP 278 Ca 0.34 -0.39 -0.11 0.00 0.71 0.00 0.00 54.79 55.34 3iur n ASP 278 Cb 1.15 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 42.05 3iur n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iur s ALA 279 N -2.48 -1.52 0.01 2.24 0.00 -1.26 -4.90 121.76 113.85 3iur s ALA 279 Ca 0.31 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.43 3iur s ALA 279 Cb 0.20 0.88 -0.06 0.00 0.00 0.00 0.00 23.12 24.15 3iur s ALA 279 CO 0.46 -0.82 0.49 -0.51 0.00 0.00 0.00 175.76 175.38 3iur s ASP 280 N -2.78 6.90 -0.15 0.00 1.01 -1.26 -2.12 116.67 118.26 3iur s ASP 280 Ca 0.03 1.06 -0.10 0.00 0.71 0.00 0.00 52.55 54.25 3iur s ASP 280 Cb -0.02 -2.30 0.05 0.00 1.01 0.00 0.00 42.92 41.66 3iur s ASP 280 CO -0.09 0.24 0.37 0.54 0.21 0.00 0.00 175.17 176.44 3iur s VAL 281 N -0.77 -0.02 0.04 -1.27 0.11 -1.26 -1.93 120.40 115.30 3iur s VAL 281 Ca 0.26 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.33 3iur s VAL 281 Cb -0.18 -0.54 -0.01 0.00 -1.53 0.00 0.00 36.38 34.12 3iur s VAL 281 CO 0.15 0.03 0.08 -0.94 -3.33 0.00 0.00 175.10 171.09 3iur s SER 282 N 0.88 0.21 0.16 3.54 1.04 -0.05 -4.93 113.70 114.55 3iur s SER 282 Ca -0.06 -0.58 -0.30 0.00 0.48 0.00 0.00 55.95 55.50 3iur s SER 282 Cb -0.06 0.22 -0.07 0.00 0.10 0.00 0.00 66.02 66.21 3iur s SER 282 CO -0.07 -0.51 1.10 -0.22 0.98 0.00 0.00 173.24 174.52 3iur s LEU 283 N -2.19 4.48 -0.23 2.42 2.96 -1.26 -0.88 118.68 123.98 3iur s LEU 283 Ca -0.04 2.07 -0.13 0.00 -0.22 0.00 0.00 54.13 55.80 3iur s LEU 283 Cb -0.01 -3.60 -0.10 0.00 0.50 0.00 0.00 46.19 42.99 3iur s LEU 283 CO -0.05 -0.24 -0.32 0.52 -1.32 0.00 0.00 176.35 174.94 3iur n VAL 284 N 2.53 1.40 -3.94 1.68 0.31 0.38 -4.86 118.33 115.83 3iur n VAL 284 Ca 0.03 -0.24 0.01 0.00 -0.01 0.00 0.00 64.34 64.13 3iur n VAL 284 Cb 0.46 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.47 3iur n VAL 284 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3iur n ASP 285 N -4.18 -0.92 -4.21 4.52 2.03 -1.18 -4.95 116.55 107.66 3iur n ASP 285 Ca -0.42 -1.25 -0.12 0.00 0.52 0.00 0.00 54.79 53.52 3iur n ASP 285 Cb 0.77 1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 42.51 3iur n ASP 285 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3iur s ASN 286 N -3.01 1.10 -0.19 1.67 4.22 -1.26 -0.83 114.94 116.64 3iur s ASN 286 Ca 0.21 -1.13 -0.04 0.00 -2.14 0.00 0.00 52.86 49.76 3iur s ASN 286 Cb -0.01 0.13 0.09 0.00 1.28 0.00 0.00 41.25 42.75 3iur s ASN 286 CO 0.00 -0.56 0.29 -0.75 -2.04 0.00 0.00 177.10 174.04 3iur s LYS 287 N -3.91 0.22 5.54 3.55 2.20 -0.47 -4.98 119.74 121.89 3iur s LYS 287 Ca 0.21 0.53 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3iur s LYS 287 Cb 0.06 -0.52 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 3iur s LYS 287 CO 0.01 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 3iur n GLY 288 N 5.35 2.34 0.70 5.54 0.00 -1.26 -1.58 105.19 116.28 3iur n GLY 288 Ca -0.05 -0.50 0.08 0.00 0.00 0.00 0.00 46.02 45.55 3iur n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iur n SER 289 N 1.86 2.06 -4.68 1.61 3.41 -1.26 -4.88 113.62 111.75 3iur n SER 289 Ca 0.00 -1.89 -0.40 0.00 -0.26 0.00 0.00 58.87 56.32 3iur n SER 289 Cb 0.00 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 3iur n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3iur s THR 290 N -1.59 4.98 -0.01 6.66 2.01 -0.61 -0.06 115.64 127.01 3iur s THR 290 Ca 0.30 1.41 -0.10 0.00 0.31 0.00 0.00 61.69 63.62 3iur s THR 290 Cb 0.16 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3iur s THR 290 CO 0.22 0.12 0.30 -0.76 -0.69 0.00 0.00 174.62 173.81 3iur s LEU 291 N 1.72 4.40 -0.20 4.42 1.43 0.63 -1.36 118.68 129.71 3iur s LEU 291 Ca 0.34 0.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.12 3iur s LEU 291 Cb -0.17 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.50 3iur s LEU 291 CO 0.13 0.30 -0.11 -0.31 0.23 0.00 0.00 176.35 176.59 3iur s TYR 292 N -1.19 2.89 -0.01 0.29 2.02 -0.01 -1.67 117.35 119.67 3iur s TYR 292 Ca 0.24 -1.25 0.06 0.00 -0.37 0.00 0.00 57.07 55.74 3iur s TYR 292 Cb -0.14 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 3iur s TYR 292 CO 0.13 -0.66 -0.18 -0.51 -1.57 0.00 0.00 175.55 172.76 3iur s LEU 293 N 1.40 2.05 -0.17 -1.29 1.43 0.47 -0.47 118.68 122.11 3iur s LEU 293 Ca 0.05 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 3iur s LEU 293 Cb -0.14 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.14 3iur s LEU 293 CO -0.07 0.21 0.09 -0.22 0.23 0.00 0.00 176.35 176.58 3iur s LEU 294 N -0.51 3.99 0.11 1.79 2.96 -0.06 -0.26 118.68 126.70 3iur s LEU 294 Ca 0.07 0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 54.01 3iur s LEU 294 Cb -0.07 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.65 3iur s LEU 294 CO -0.00 0.24 0.39 0.28 -1.32 0.00 0.00 176.35 175.93 3iur s THR 295 N -0.00 0.07 -0.42 3.68 -1.32 -0.69 -0.87 115.64 116.09 3iur s THR 295 Ca 0.07 -0.60 0.13 0.00 -1.21 0.00 0.00 61.69 60.08 3iur s THR 295 Cb -0.12 -1.14 0.37 0.00 -1.51 0.00 0.00 72.50 70.10 3iur s THR 295 CO 0.00 -0.33 1.29 -0.46 -2.21 0.00 0.00 174.62 172.91 3iur n ASN 296 N -0.07 3.17 -4.66 8.08 0.23 -0.81 -1.27 115.26 119.94 3iur n ASN 296 Ca -0.16 -2.56 -0.42 0.00 -0.53 0.00 0.00 54.58 50.91 3iur n ASN 296 Cb 0.63 -0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 37.94 3iur n ASN 296 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 3iur s ARG 297 N -1.99 4.09 -1.71 -3.83 3.52 -1.26 -1.02 118.95 116.75 3iur s ARG 297 Ca 0.30 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.29 3iur s ARG 297 Cb 0.22 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 3iur s ARG 297 CO 0.10 -0.99 0.00 -0.25 -0.81 0.00 0.00 175.30 173.35 3iur n ASP 298 N 7.63 -4.82 -3.04 -2.12 8.00 -1.26 -4.88 116.55 116.06 3iur n ASP 298 Ca 0.19 0.28 -0.04 0.00 0.71 0.00 0.00 54.79 55.93 3iur n ASP 298 Cb 0.42 -4.21 -0.01 0.00 -0.02 0.00 0.00 41.12 37.30 3iur n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iur s ALA 299 N -2.64 -1.88 0.53 2.24 0.00 -0.19 -5.02 121.76 114.79 3iur s ALA 299 Ca 0.00 -0.31 0.26 0.00 0.00 0.00 0.00 51.96 51.91 3iur s ALA 299 Cb 0.00 -2.61 1.40 0.00 0.00 0.00 0.00 23.12 21.91 3iur s ALA 299 CO 0.00 -2.21 1.98 -1.35 0.00 0.00 0.00 175.76 174.18 3iur h PRO 300 N 6.06 0.01 -0.08 0.00 0.11 -1.90 0.15 132.00 136.35 3iur h PRO 300 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3iur h PRO 300 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3iur h PRO 300 CO 0.08 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 177.97 3iur n ASN 301 N -4.37 1.50 -0.36 -2.05 5.03 -1.26 -4.97 115.26 108.79 3iur n ASN 301 Ca 0.11 -1.58 0.02 0.00 0.87 0.00 0.00 54.58 54.00 3iur n ASN 301 Cb 0.66 -0.05 -0.01 0.00 -1.02 0.00 0.00 39.78 39.36 3iur n ASN 301 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3iur n ARG 302 N 0.19 -0.89 -3.80 3.52 1.74 0.52 -0.97 116.66 116.97 3iur n ARG 302 Ca 0.18 0.71 -0.11 0.00 -0.77 0.00 0.00 57.85 57.86 3iur n ARG 302 Cb 0.33 -0.94 -0.08 0.00 -1.02 0.00 0.00 32.46 30.76 3iur n ARG 302 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3iur s ARG 303 N -3.89 0.77 -0.22 5.56 1.70 -0.39 -4.13 118.95 118.35 3iur s ARG 303 Ca 0.00 -0.63 -0.07 0.00 -0.47 0.00 0.00 55.73 54.56 3iur s ARG 303 Cb 0.00 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.67 3iur s ARG 303 CO 0.00 -0.24 0.07 -1.17 -1.08 0.00 0.00 175.30 172.88 3iur s LEU 304 N -2.20 3.61 0.28 -1.89 2.96 -0.56 -1.70 118.68 119.17 3iur s LEU 304 Ca -0.03 -0.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3iur s LEU 304 Cb -0.00 -1.94 -0.06 0.00 0.50 0.00 0.00 46.19 44.69 3iur s LEU 304 CO -0.05 0.06 -0.10 0.68 -1.32 0.00 0.00 176.35 175.62 3iur s VAL 305 N 1.03 1.91 0.13 1.68 -7.23 0.64 -0.23 120.40 118.33 3iur s VAL 305 Ca 0.04 -2.20 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 3iur s VAL 305 Cb -0.14 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.36 3iur s VAL 305 CO 0.03 -0.35 -0.17 0.42 -0.31 0.00 0.00 175.10 174.73 3iur s THR 306 N -2.85 1.55 -0.03 5.32 -4.23 0.36 -0.39 115.64 115.36 3iur s THR 306 Ca 0.29 -1.73 -0.30 0.00 -1.18 0.00 0.00 61.69 58.76 3iur s THR 306 Cb 0.01 -1.62 0.07 0.00 1.34 0.00 0.00 72.50 72.31 3iur s THR 306 CO 0.12 -0.31 0.68 0.54 -0.54 0.00 0.00 174.62 175.11 3iur s VAL 307 N -1.89 0.00 0.16 2.29 0.11 -0.67 -0.89 120.40 119.51 3iur s VAL 307 Ca 0.10 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 3iur s VAL 307 Cb -0.06 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.72 3iur s VAL 307 CO 0.04 0.00 1.05 -0.62 -3.33 0.00 0.00 175.10 172.25 3iur s ASP 308 N -1.33 7.35 0.60 3.54 2.15 -1.26 -0.27 116.67 127.45 3iur s ASP 308 Ca -0.10 1.99 0.31 0.00 0.43 0.00 0.00 52.55 55.19 3iur s ASP 308 Cb -0.00 -2.60 1.81 0.00 -0.30 0.00 0.00 42.92 41.83 3iur s ASP 308 CO 0.08 -0.16 2.19 0.00 -0.17 0.00 0.00 175.17 177.10 3iur h ALA 309 N 5.22 1.59 0.00 3.66 0.00 -0.83 -2.08 119.26 126.82 3iur h ALA 309 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iur h ALA 309 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iur h ALA 309 CO 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3iur n ALA 310 N -2.28 2.02 -2.77 0.00 0.00 -1.26 -4.09 120.51 112.13 3iur n ALA 310 Ca -0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3iur n ALA 310 Cb 0.20 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.29 3iur n ALA 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iur n ASN 311 N -1.95 -2.69 -0.08 0.00 5.15 -0.81 -5.05 115.26 109.84 3iur n ASN 311 Ca 0.05 -3.32 0.03 0.00 -0.60 0.00 0.00 54.58 50.74 3iur n ASN 311 Cb 0.31 1.72 0.17 0.00 -0.53 0.00 0.00 39.78 41.44 3iur n ASN 311 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3iur n PRO 312 N 1.51 1.10 -1.31 1.20 -0.04 -1.06 -4.56 135.00 131.85 3iur n PRO 312 Ca 0.09 -0.15 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 3iur n PRO 312 Cb 0.63 -1.11 0.11 0.00 -0.04 0.00 0.00 33.50 33.09 3iur n PRO 312 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3iur s GLY 313 N -1.17 2.37 0.52 0.55 0.00 -1.24 -4.50 107.32 103.85 3iur s GLY 313 Ca 0.10 0.95 0.27 0.00 0.00 0.00 0.00 44.72 46.05 3iur s GLY 313 CO 0.08 1.38 1.94 -2.55 0.00 0.00 0.00 173.10 173.94 3iur h PRO 314 N -0.47 0.04 0.00 2.90 0.11 -1.88 -0.37 132.00 132.33 3iur h PRO 314 Ca -0.48 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3iur h PRO 314 Cb 1.31 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 3iur h PRO 314 CO 0.48 0.02 -0.02 0.00 -0.21 0.00 0.00 178.00 178.27 3iur h ALA 315 N 1.64 1.06 -0.02 -0.75 0.00 -1.94 -2.60 119.26 116.66 3iur h ALA 315 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3iur h ALA 315 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3iur h ALA 315 CO -0.02 0.03 -0.41 0.72 0.00 0.00 0.00 179.25 179.57 3iur n HIS 316 N -3.20 0.00 -1.90 0.00 8.25 -0.15 -4.97 115.22 113.25 3iur n HIS 316 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3iur n HIS 316 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 3iur n HIS 316 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3iur s TRP 317 N -2.36 2.92 -0.15 4.41 0.51 -0.98 -4.75 118.94 118.54 3iur s TRP 317 Ca 0.19 0.84 0.01 0.00 -2.12 0.00 0.00 56.10 55.02 3iur s TRP 317 Cb 0.18 -3.94 0.00 0.00 -0.81 0.00 0.00 33.47 28.89 3iur s TRP 317 CO 0.53 -3.21 -0.17 0.50 -0.51 0.00 0.00 176.95 174.09 3iur s ARG 318 N -0.12 3.16 0.14 4.98 3.52 -0.07 -4.92 118.95 125.63 3iur s ARG 318 Ca 0.63 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 55.14 3iur s ARG 318 Cb -0.45 -2.56 -0.10 0.00 -1.56 0.00 0.00 34.95 30.28 3iur s ARG 318 CO 0.43 0.02 1.71 -0.51 -0.81 0.00 0.00 175.30 176.14 3iur s ASP 319 N 0.78 6.49 -0.25 -2.12 1.01 -1.26 -0.49 116.67 120.82 3iur s ASP 319 Ca -0.07 2.69 -0.06 0.00 0.71 0.00 0.00 52.55 55.82 3iur s ASP 319 Cb -0.16 -2.58 -0.14 0.00 1.01 0.00 0.00 42.92 41.06 3iur s ASP 319 CO 0.00 -0.93 -0.28 -0.11 0.21 0.00 0.00 175.17 174.06 3iur n LEU 320 N 4.96 2.41 -3.89 1.23 7.94 0.68 -4.78 117.00 125.56 3iur n LEU 320 Ca 0.16 0.10 -0.30 0.00 -1.11 0.00 0.00 56.01 54.85 3iur n LEU 320 Cb 0.38 -0.81 -0.15 0.00 0.53 0.00 0.00 43.42 43.37 3iur n LEU 320 CO 0.64 0.73 -0.33 -0.63 -1.11 0.00 0.00 177.39 176.68 3iur s ILE 321 N -2.49 1.62 0.80 1.96 1.01 -0.60 -4.95 121.20 118.55 3iur s ILE 321 Ca -0.35 -1.88 -0.13 0.00 0.00 0.00 0.00 60.65 58.29 3iur s ILE 321 Cb 0.11 -2.20 0.08 0.00 0.01 0.00 0.00 42.46 40.47 3iur s ILE 321 CO 0.51 -0.62 1.17 -2.84 0.00 0.00 0.00 174.94 173.17 3iur s PRO 322 N 1.24 1.75 0.54 2.79 0.02 -1.26 -1.50 135.00 138.58 3iur s PRO 322 Ca 0.10 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 62.53 3iur s PRO 322 Cb -0.18 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 3iur s PRO 322 CO -0.16 -2.10 1.36 -1.91 -0.33 0.00 0.00 177.00 173.86 3iur n GLU 323 N -3.35 1.71 -4.13 5.54 2.13 -1.26 -4.84 120.64 116.45 3iur n GLU 323 Ca 0.12 0.63 -0.23 0.00 0.66 0.00 0.00 57.16 58.34 3iur n GLU 323 Cb 0.51 -2.57 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 3iur n GLU 323 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3iur n ARG 324 N -0.99 0.70 0.11 5.31 1.74 -1.26 -5.04 116.66 117.23 3iur n ARG 324 Ca 0.10 -3.03 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 3iur n ARG 324 Cb 0.44 1.45 0.32 0.00 -1.02 0.00 0.00 32.46 33.65 3iur n ARG 324 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3iur h GLN 325 N 0.00 0.23 -6.37 5.56 4.15 -1.96 -3.44 115.11 113.28 3iur h GLN 325 Ca -0.29 -0.08 -0.55 0.00 0.77 0.00 0.00 58.65 58.50 3iur h GLN 325 Cb 1.06 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.70 3iur h GLN 325 CO 0.47 0.48 -0.09 -0.65 -1.93 0.00 0.00 178.83 177.11 3iur s GLN 326 N -4.46 3.91 0.09 1.69 1.11 -1.26 -4.53 119.66 116.20 3iur s GLN 326 Ca -0.05 0.41 -0.31 0.00 0.01 0.00 0.00 55.36 55.42 3iur s GLN 326 Cb 0.14 -2.81 -0.08 0.00 -1.01 0.00 0.00 33.01 29.26 3iur s GLN 326 CO 0.75 0.41 1.43 0.08 0.01 0.00 0.00 175.29 177.96 3iur s VAL 327 N -1.61 3.34 0.02 1.09 1.01 -1.26 -4.86 120.40 118.12 3iur s VAL 327 Ca 0.42 0.90 -0.20 0.00 0.00 0.00 0.00 61.98 63.10 3iur s VAL 327 Cb -0.13 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3iur s VAL 327 CO 0.20 0.05 0.59 -0.22 0.00 0.00 0.00 175.10 175.71 3iur s LEU 328 N 1.54 4.45 -0.07 3.92 2.96 -0.14 -4.56 118.68 126.78 3iur s LEU 328 Ca 0.66 1.19 0.03 0.00 -0.22 0.00 0.00 54.13 55.79 3iur s LEU 328 Cb -0.36 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.42 3iur s LEU 328 CO 0.30 0.15 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.42 3iur s THR 329 N -0.44 1.41 -0.07 3.68 2.01 -0.75 -4.88 115.64 116.61 3iur s THR 329 Ca 0.30 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.68 3iur s THR 329 Cb -0.19 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 3iur s THR 329 CO 0.18 0.41 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 3iur s VAL 330 N 0.44 2.95 0.13 3.82 1.01 -1.26 -0.43 120.40 127.05 3iur s VAL 330 Ca -0.13 -0.75 0.09 0.00 0.00 0.00 0.00 61.98 61.19 3iur s VAL 330 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3iur s VAL 330 CO 0.04 0.57 -0.20 -1.00 0.00 0.00 0.00 175.10 174.51 3iur s HIS 331 N -0.41 1.85 0.03 5.22 3.76 -0.38 -4.97 115.29 120.39 3iur s HIS 331 Ca 0.04 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 3iur s HIS 331 Cb -0.12 -0.98 -0.02 0.00 1.11 0.00 0.00 32.58 32.57 3iur s HIS 331 CO 0.02 0.27 -0.12 -1.54 -0.85 0.00 0.00 174.74 172.52 3iur s SER 332 N -2.20 1.37 -0.30 1.40 1.04 -1.25 0.15 113.70 113.92 3iur s SER 332 Ca 0.10 -0.38 -0.27 0.00 0.48 0.00 0.00 55.95 55.88 3iur s SER 332 Cb -0.08 -0.09 0.20 0.00 0.10 0.00 0.00 66.02 66.14 3iur s SER 332 CO 0.05 0.02 1.43 -0.83 0.98 0.00 0.00 173.24 174.89 3iur s GLY 333 N -0.93 0.25 -1.51 7.32 0.00 -0.58 -1.59 107.32 110.28 3iur s GLY 333 Ca 0.00 3.22 0.00 0.00 0.00 0.00 0.00 44.72 47.95 3iur s GLY 333 CO 0.01 1.50 0.00 1.44 0.00 0.00 0.00 173.10 176.05 3iur n SER 334 N 0.98 -4.70 0.00 1.64 7.64 -0.05 -1.34 113.62 117.79 3iur n SER 334 Ca -0.04 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3iur n SER 334 Cb 0.58 -4.04 0.00 0.00 -1.01 0.00 0.00 64.21 59.74 3iur n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iur n GLY 335 N -0.72 0.54 3.26 0.23 0.00 -1.19 -4.91 105.19 102.40 3iur n GLY 335 Ca -0.19 -0.56 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3iur n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iur s TYR 336 N -2.00 1.29 -0.04 1.61 2.02 -0.45 -4.40 117.35 115.38 3iur s TYR 336 Ca 0.00 -0.87 0.05 0.00 -0.37 0.00 0.00 57.07 55.88 3iur s TYR 336 Cb 0.00 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.83 3iur s TYR 336 CO 0.00 -0.03 -0.17 -0.51 -1.57 0.00 0.00 175.55 173.26 3iur s LEU 337 N -3.19 2.56 -0.15 -1.29 1.43 0.02 -1.53 118.68 116.52 3iur s LEU 337 Ca 0.21 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 3iur s LEU 337 Cb 0.04 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.78 3iur s LEU 337 CO 0.03 0.34 -0.17 -0.36 0.23 0.00 0.00 176.35 176.41 3iur s PHE 338 N -0.69 2.40 -0.27 0.29 0.08 0.12 -0.11 117.98 119.80 3iur s PHE 338 Ca 0.11 -1.32 -0.14 0.00 0.12 0.00 0.00 56.93 55.70 3iur s PHE 338 Cb -0.11 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.61 3iur s PHE 338 CO 0.00 -0.67 0.33 0.00 -0.10 0.00 0.00 175.22 174.78 3iur s ALA 339 N 1.24 3.56 -0.15 5.36 0.00 -0.02 -1.24 121.76 130.50 3iur s ALA 339 Ca 0.01 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3iur s ALA 339 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.31 3iur s ALA 339 CO -0.08 -0.60 -0.04 -2.00 0.00 0.00 0.00 175.76 173.04 3iur s GLU 340 N 1.92 3.62 0.10 0.00 2.12 0.42 -1.01 118.70 125.88 3iur s GLU 340 Ca 0.13 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 54.95 3iur s GLU 340 Cb -0.16 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 3iur s GLU 340 CO 0.10 0.27 -0.06 0.71 -0.54 0.00 0.00 175.26 175.74 3iur s TYR 341 N 0.29 0.86 -0.27 5.30 2.02 -0.33 -1.81 117.35 123.41 3iur s TYR 341 Ca -0.04 -0.95 -0.04 0.00 -0.37 0.00 0.00 57.07 55.68 3iur s TYR 341 Cb -0.14 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3iur s TYR 341 CO 0.03 -0.19 0.01 -1.64 -1.57 0.00 0.00 175.55 172.19 3iur s MET 342 N -3.85 2.90 -0.20 -0.62 -1.94 -1.26 -0.72 119.30 113.60 3iur s MET 342 Ca 0.12 -0.96 -0.03 0.00 -1.71 0.00 0.00 55.69 53.11 3iur s MET 342 Cb 0.06 -3.17 -0.01 0.00 2.01 0.00 0.00 34.83 33.72 3iur s MET 342 CO -0.05 -0.44 -0.06 0.08 -0.01 0.00 0.00 175.02 174.54 3iur s VAL 343 N 1.39 3.29 -1.44 -6.03 1.01 0.64 -4.41 120.40 114.85 3iur s VAL 343 Ca 0.01 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 3iur s VAL 343 Cb -0.17 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.77 3iur s VAL 343 CO -0.01 0.45 0.97 0.47 0.00 0.00 0.00 175.10 176.98 3iur n ASP 344 N 4.51 -5.82 -0.48 3.32 8.00 -1.26 -2.07 116.55 122.76 3iur n ASP 344 Ca -0.18 -0.53 -0.06 0.00 0.71 0.00 0.00 54.79 54.72 3iur n ASP 344 Cb 0.51 -4.63 -0.03 0.00 -0.02 0.00 0.00 41.12 36.95 3iur n ASP 344 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iur n ALA 345 N -4.53 -0.09 -2.52 2.24 0.00 -1.26 -5.01 120.51 109.33 3iur n ALA 345 Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.38 3iur n ALA 345 Cb 0.56 -1.25 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 3iur n ALA 345 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iur s THR 346 N -1.85 0.96 0.38 0.00 -4.23 -0.88 -4.14 115.64 105.89 3iur s THR 346 Ca 0.00 -1.59 -0.27 0.00 -1.18 0.00 0.00 61.69 58.65 3iur s THR 346 Cb 0.00 -1.31 -0.10 0.00 1.34 0.00 0.00 72.50 72.44 3iur s THR 346 CO 0.00 -0.51 1.38 0.00 -0.54 0.00 0.00 174.62 174.95 3iur s ALA 347 N -2.26 3.42 -0.01 3.99 0.00 0.48 -0.26 121.76 127.12 3iur s ALA 347 Ca 0.04 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3iur s ALA 347 Cb -0.04 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.55 3iur s ALA 347 CO 0.00 -0.91 -0.00 1.03 0.00 0.00 0.00 175.76 175.89 3iur s ARG 348 N -2.10 0.17 -0.06 0.00 1.81 0.10 -4.77 118.95 114.10 3iur s ARG 348 Ca 0.54 0.03 0.01 0.00 -1.72 0.00 0.00 55.73 54.59 3iur s ARG 348 Cb -0.42 -0.28 0.02 0.00 -0.45 0.00 0.00 34.95 33.81 3iur s ARG 348 CO 0.56 -0.06 -0.09 0.08 -0.68 0.00 0.00 175.30 175.11 3iur s VAL 349 N 0.53 0.88 -0.06 3.52 1.01 -1.26 -1.18 120.40 123.84 3iur s VAL 349 Ca -0.05 -0.31 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3iur s VAL 349 Cb -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 3iur s VAL 349 CO -0.01 0.30 -0.17 -1.61 0.00 0.00 0.00 175.10 173.62 3iur s GLU 350 N 0.89 2.55 -0.20 2.72 2.02 -0.18 -0.29 118.70 126.22 3iur s GLU 350 Ca -0.11 -0.75 -0.08 0.00 0.02 0.00 0.00 54.97 54.06 3iur s GLU 350 Cb -0.15 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3iur s GLU 350 CO 0.01 0.55 0.07 -1.14 0.02 0.00 0.00 175.26 174.77 3iur s GLN 351 N -0.54 3.91 0.17 1.61 0.74 0.45 -0.84 119.66 125.17 3iur s GLN 351 Ca 0.07 -0.37 0.10 0.00 0.05 0.00 0.00 55.36 55.21 3iur s GLN 351 Cb -0.11 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 3iur s GLN 351 CO 0.01 0.16 -0.20 -0.06 -0.55 0.00 0.00 175.29 174.65 3iur s PHE 352 N 0.69 2.00 0.58 1.67 0.08 0.84 0.37 117.98 124.20 3iur s PHE 352 Ca 0.04 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 56.69 3iur s PHE 352 Cb -0.13 -1.00 0.06 0.00 -0.57 0.00 0.00 43.02 41.38 3iur s PHE 352 CO 0.02 0.39 0.80 0.16 -0.10 0.00 0.00 175.22 176.49 3iur s ASP 353 N -2.65 5.07 0.00 1.36 1.47 -0.43 -0.80 116.67 120.69 3iur s ASP 353 Ca 0.17 -0.28 0.12 0.00 1.18 0.00 0.00 52.55 53.74 3iur s ASP 353 Cb -0.07 -0.46 0.57 0.00 -0.34 0.00 0.00 42.92 42.63 3iur s ASP 353 CO 0.08 -1.30 1.31 -1.22 0.68 0.00 0.00 175.17 174.72 3iur n TYR 354 N -2.38 0.00 1.15 2.11 4.02 -1.26 -1.50 117.16 119.29 3iur n TYR 354 Ca 0.11 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.12 3iur n TYR 354 Cb 0.60 -0.34 0.25 0.00 -0.02 0.00 0.00 39.34 39.83 3iur n TYR 354 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3iur n GLU 355 N -1.34 2.11 -0.38 -0.72 4.71 -1.26 -4.95 120.64 118.81 3iur n GLU 355 Ca 0.05 -1.61 0.00 0.00 -0.01 0.00 0.00 57.16 55.59 3iur n GLU 355 Cb 0.10 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 3iur n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3iur n GLY 356 N 1.29 0.74 3.73 0.62 0.00 -0.56 -5.05 105.19 105.96 3iur n GLY 356 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3iur n GLY 356 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iur s LYS 357 N -0.62 4.68 -0.48 1.61 2.20 -1.26 -4.84 119.74 121.03 3iur s LYS 357 Ca 0.00 1.45 -0.28 0.00 -0.36 0.00 0.00 55.97 56.78 3iur s LYS 357 Cb 0.00 -3.39 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 3iur s LYS 357 CO 0.00 0.18 1.07 0.50 -0.36 0.00 0.00 175.35 176.73 3iur s ARG 358 N 0.15 3.64 -0.02 4.03 3.52 -1.26 -1.32 118.95 127.69 3iur s ARG 358 Ca 0.48 0.40 -0.23 0.00 -0.13 0.00 0.00 55.73 56.24 3iur s ARG 358 Cb -0.23 -3.92 -0.20 0.00 -1.56 0.00 0.00 34.95 29.04 3iur s ARG 358 CO 0.30 -1.35 1.16 0.28 -0.81 0.00 0.00 175.30 174.88 3iur h VAL 359 N 6.18 1.46 -1.75 7.11 2.07 -0.42 -3.49 116.25 127.40 3iur h VAL 359 Ca -0.23 -1.64 0.25 0.00 0.82 0.00 0.00 66.70 65.89 3iur h VAL 359 Cb 1.07 2.39 -0.13 0.00 -1.52 0.00 0.00 31.29 33.10 3iur h VAL 359 CO 1.10 0.46 0.71 0.00 0.02 0.00 0.00 177.57 179.85 3iur s ARG 360 N -3.65 0.60 -0.22 1.57 1.70 -1.14 -5.01 118.95 112.79 3iur s ARG 360 Ca -0.15 -0.29 -0.14 0.00 -0.47 0.00 0.00 55.73 54.67 3iur s ARG 360 Cb 0.02 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 3iur s ARG 360 CO 0.74 -0.27 0.34 -2.00 -1.08 0.00 0.00 175.30 173.03 3iur s GLU 361 N -2.70 4.12 0.13 3.89 2.56 -1.26 -0.41 118.70 125.03 3iur s GLU 361 Ca 0.11 0.06 -0.31 0.00 0.00 0.00 0.00 54.97 54.83 3iur s GLU 361 Cb 0.01 -3.56 -0.08 0.00 2.00 0.00 0.00 34.13 32.50 3iur s GLU 361 CO -0.03 -0.06 1.41 0.08 -0.56 0.00 0.00 175.26 176.10 3iur s VAL 362 N 1.39 3.18 -1.10 3.70 1.01 0.60 -4.93 120.40 124.25 3iur s VAL 362 Ca 0.15 0.86 -0.20 0.00 0.00 0.00 0.00 61.98 62.79 3iur s VAL 362 Cb -0.15 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.76 3iur s VAL 362 CO 0.07 0.07 1.47 0.00 0.00 0.00 0.00 175.10 176.72 3iur s ALA 363 N 1.02 3.12 0.62 5.51 0.00 -1.26 -4.60 121.76 126.17 3iur s ALA 363 Ca 0.65 -2.64 -0.17 0.00 0.00 0.00 0.00 51.96 49.80 3iur s ALA 363 Cb -0.38 -4.44 -0.02 0.00 0.00 0.00 0.00 23.12 18.28 3iur s ALA 363 CO 0.31 -3.34 1.16 -0.51 0.00 0.00 0.00 175.76 173.38 3iur s LEU 364 N 4.05 3.54 0.01 0.00 1.43 -1.26 -4.88 118.68 121.56 3iur s LEU 364 Ca 0.46 2.21 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 3iur s LEU 364 Cb 0.00 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.66 3iur s LEU 364 CO -0.04 -1.63 0.87 -2.65 0.23 0.00 0.00 176.35 173.13 3iur n PRO 365 N -1.97 0.00 -3.18 1.29 -0.02 -1.26 -4.86 135.00 125.01 3iur n PRO 365 Ca 0.12 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3iur n PRO 365 Cb 0.51 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3iur n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iur n GLY 366 N -1.35 -0.50 3.48 -1.23 0.00 -1.26 -5.09 105.19 99.23 3iur n GLY 366 Ca -0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3iur n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iur s LEU 367 N 0.00 4.45 0.00 0.99 1.43 -1.26 -4.92 118.68 119.36 3iur s LEU 367 Ca 0.00 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 3iur s LEU 367 Cb 0.00 -2.08 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3iur s LEU 367 CO 0.00 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3iur n GLY 368 N 5.06 2.53 3.36 -3.19 0.00 -1.26 -4.83 105.19 106.86 3iur n GLY 368 Ca -0.13 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 3iur n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iur s SER 369 N 2.00 3.29 0.35 1.61 0.01 -0.09 -0.39 113.70 120.48 3iur s SER 369 Ca 0.00 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.84 3iur s SER 369 Cb 0.00 -0.42 -0.07 0.00 0.21 0.00 0.00 66.02 65.74 3iur s SER 369 CO 0.00 0.30 0.04 0.68 0.41 0.00 0.00 173.24 174.67 3iur s VAL 370 N -0.72 1.45 0.05 3.43 -7.23 -1.26 -1.89 120.40 114.23 3iur s VAL 370 Ca 0.11 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.05 3iur s VAL 370 Cb -0.10 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 34.05 3iur s VAL 370 CO 0.01 -0.01 0.52 -0.94 -0.31 0.00 0.00 175.10 174.37 3iur s SER 371 N -3.55 -0.44 0.00 4.85 1.04 -0.75 -4.95 113.70 109.89 3iur s SER 371 Ca 0.36 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.94 3iur s SER 371 Cb 0.09 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3iur s SER 371 CO 0.16 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3iur n GLY 372 N 0.34 0.20 2.34 7.32 0.00 -1.26 -0.35 105.19 113.78 3iur n GLY 372 Ca -0.18 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.80 3iur n GLY 372 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iur n PHE 373 N 0.00 -0.00 -3.77 1.61 3.72 -0.18 -4.90 117.46 113.93 3iur n PHE 373 Ca 0.00 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.05 3iur n PHE 373 Cb 0.00 -2.19 -0.09 0.00 -0.94 0.00 0.00 39.48 36.26 3iur n PHE 373 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iur s ASN 374 N -2.87 6.00 0.28 4.37 0.02 -1.26 -3.91 114.94 117.57 3iur s ASN 374 Ca 0.00 0.14 -0.20 0.00 -1.02 0.00 0.00 52.86 51.78 3iur s ASN 374 Cb 0.00 -2.06 0.06 0.00 0.02 0.00 0.00 41.25 39.27 3iur s ASN 374 CO 0.00 0.13 0.87 -0.83 0.02 0.00 0.00 177.10 177.30 3iur s GLY 375 N 0.63 0.13 0.66 0.66 0.00 -0.62 -4.73 107.32 104.04 3iur s GLY 375 Ca 0.07 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.28 3iur s GLY 375 CO 0.01 0.49 0.99 0.54 0.00 0.00 0.00 173.10 175.13 3iur s LYS 376 N -2.71 2.67 0.32 2.90 1.02 -1.26 -4.07 119.74 118.60 3iur s LYS 376 Ca 0.16 0.06 0.06 0.00 0.02 0.00 0.00 55.97 56.26 3iur s LYS 376 Cb -0.04 -2.16 0.72 0.00 -0.52 0.00 0.00 37.83 35.82 3iur s LYS 376 CO 0.08 -0.97 1.83 0.45 -0.92 0.00 0.00 175.35 175.81 3iur h HIS 377 N -0.45 1.00 -0.53 3.18 3.86 -1.94 -0.02 115.15 120.25 3iur h HIS 377 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3iur h HIS 377 Cb 1.27 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 29.43 3iur h HIS 377 CO 0.44 0.33 0.00 -0.40 0.86 0.00 0.00 177.93 179.15 3iur n ASP 378 N -4.64 4.45 -4.71 2.45 5.75 -1.26 -3.20 116.55 115.39 3iur n ASP 378 Ca 0.20 -2.53 -0.42 0.00 -0.01 0.00 0.00 54.79 52.03 3iur n ASP 378 Cb 0.48 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.00 3iur n ASP 378 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3iur s ASP 379 N -1.10 6.64 0.52 -1.12 1.01 -1.01 -4.88 116.67 116.72 3iur s ASP 379 Ca 0.46 2.51 0.30 0.00 0.71 0.00 0.00 52.55 56.54 3iur s ASP 379 Cb 0.31 -2.58 1.22 0.00 1.01 0.00 0.00 42.92 42.88 3iur s ASP 379 CO 0.20 -0.81 1.93 1.55 0.21 0.00 0.00 175.17 178.25 3iur h PRO 380 N 7.28 0.00 -3.76 8.23 0.13 -1.93 -3.40 132.00 138.55 3iur h PRO 380 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 3iur h PRO 380 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 3iur h PRO 380 CO 0.91 0.07 -0.31 0.00 -0.23 0.00 0.00 178.00 178.44 3iur s ALA 381 N -3.67 -0.28 0.27 -0.56 0.00 -1.26 -4.55 121.76 111.71 3iur s ALA 381 Ca 0.01 -0.60 0.11 0.00 0.00 0.00 0.00 51.96 51.49 3iur s ALA 381 Cb 0.09 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 3iur s ALA 381 CO 0.57 -0.56 -0.19 -0.51 0.00 0.00 0.00 175.76 175.07 3iur s LEU 382 N -2.88 2.59 0.10 0.00 1.43 -0.58 -4.97 118.68 114.37 3iur s LEU 382 Ca 0.08 -1.03 0.09 0.00 -1.03 0.00 0.00 54.13 52.24 3iur s LEU 382 Cb 0.04 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 3iur s LEU 382 CO -0.08 0.01 -0.24 -0.31 0.23 0.00 0.00 176.35 175.95 3iur s TYR 383 N -2.56 2.08 0.00 0.29 2.02 -1.26 -0.11 117.35 117.82 3iur s TYR 383 Ca 0.29 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.53 3iur s TYR 383 Cb -0.04 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.35 3iur s TYR 383 CO 0.14 0.23 0.12 -0.59 -1.57 0.00 0.00 175.55 173.88 3iur s PHE 384 N -1.01 0.06 0.02 2.71 -0.12 -0.61 -1.01 117.98 118.02 3iur s PHE 384 Ca 0.10 -0.16 -0.02 0.00 -0.05 0.00 0.00 56.93 56.81 3iur s PHE 384 Cb -0.10 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.19 3iur s PHE 384 CO 0.04 -0.27 0.20 0.20 -0.05 0.00 0.00 175.22 175.35 3iur s GLY 385 N -1.34 2.19 -0.01 1.99 0.00 0.53 -0.94 107.32 109.72 3iur s GLY 385 Ca -0.14 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 43.78 3iur s GLY 385 CO 0.01 -0.69 0.05 -0.12 0.00 0.00 0.00 173.10 172.35 3iur s PHE 386 N -1.40 -0.01 0.12 1.90 5.36 -0.27 -1.82 117.98 121.86 3iur s PHE 386 Ca 0.31 0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 56.07 3iur s PHE 386 Cb -0.13 -0.01 0.08 0.00 -0.34 0.00 0.00 43.02 42.62 3iur s PHE 386 CO 0.22 -0.06 0.68 -1.83 -1.46 0.00 0.00 175.22 172.76 3iur s GLU 387 N -0.25 1.18 0.02 10.12 -1.05 -0.79 -0.88 118.70 127.04 3iur s GLU 387 Ca -0.03 -0.44 -0.01 0.00 -0.15 0.00 0.00 54.97 54.34 3iur s GLU 387 Cb -0.02 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 3iur s GLU 387 CO 0.00 -0.52 0.03 0.27 0.95 0.00 0.00 175.26 176.00 3iur n ASN 388 N -0.35 -0.10 0.27 0.83 0.23 -0.72 -0.92 115.26 114.51 3iur n ASN 388 Ca -0.15 -1.07 0.11 0.00 -0.53 0.00 0.00 54.58 52.94 3iur n ASN 388 Cb 0.64 0.16 0.74 0.00 -2.08 0.00 0.00 39.78 39.24 3iur n ASN 388 CO 0.00 0.00 0.00 1.88 -0.93 0.00 0.00 177.26 178.21 3iur h TYR 389 N 1.04 0.00 -0.20 -2.53 0.05 -1.87 -2.70 116.97 110.76 3iur h TYR 389 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3iur h TYR 389 Cb 0.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.79 3iur h TYR 389 CO 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 178.16 177.14 3iur n ALA 390 N -2.44 2.49 -3.67 3.88 0.00 -1.26 -4.68 120.51 114.84 3iur n ALA 390 Ca -0.03 -1.85 -0.14 0.00 0.00 0.00 0.00 53.44 51.42 3iur n ALA 390 Cb 0.11 -0.48 -0.14 0.00 0.00 0.00 0.00 19.45 18.95 3iur n ALA 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3iur s GLN 391 N -2.06 0.12 0.73 0.00 0.74 -1.04 -4.61 119.66 113.54 3iur s GLN 391 Ca 0.29 0.70 -0.14 0.00 0.05 0.00 0.00 55.36 56.26 3iur s GLN 391 Cb 0.22 -0.09 0.04 0.00 1.10 0.00 0.00 33.01 34.28 3iur s GLN 391 CO 0.09 -0.29 1.16 -2.14 -0.55 0.00 0.00 175.29 173.56 3iur s PRO 392 N 2.37 2.23 -0.17 1.67 0.02 -1.26 -1.76 135.00 138.10 3iur s PRO 392 Ca 0.01 1.59 -0.38 0.00 0.02 0.00 0.00 61.00 62.24 3iur s PRO 392 Cb -0.12 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.39 3iur s PRO 392 CO -0.08 -1.73 1.70 -2.30 -0.33 0.00 0.00 177.00 174.27 3iur n PRO 393 N -2.83 1.38 -4.85 5.54 -0.02 -1.26 -4.67 135.00 128.28 3iur n PRO 393 Ca 0.12 0.50 -0.26 0.00 -2.02 0.00 0.00 63.50 61.84 3iur n PRO 393 Cb 0.51 -2.22 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 3iur n PRO 393 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iur s THR 394 N 3.07 1.59 -0.18 3.45 2.01 -0.06 -4.07 115.64 121.46 3iur s THR 394 Ca 0.94 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 61.90 3iur s THR 394 Cb -0.97 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 3iur s THR 394 CO 0.59 0.36 0.12 -0.76 -0.69 0.00 0.00 174.62 174.24 3iur s LEU 395 N -0.70 4.18 0.12 4.42 1.43 -0.56 -1.11 118.68 126.46 3iur s LEU 395 Ca 0.07 0.26 0.09 0.00 -1.03 0.00 0.00 54.13 53.53 3iur s LEU 395 Cb -0.08 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 3iur s LEU 395 CO 0.00 0.24 -0.23 -0.31 0.23 0.00 0.00 176.35 176.28 3iur s TYR 396 N 0.01 2.02 -0.13 0.29 2.02 -0.12 -0.35 117.35 121.09 3iur s TYR 396 Ca 0.09 -0.40 -0.07 0.00 -0.37 0.00 0.00 57.07 56.32 3iur s TYR 396 Cb -0.11 -1.09 -0.04 0.00 -0.40 0.00 0.00 41.96 40.32 3iur s TYR 396 CO -0.00 0.28 0.12 0.50 -1.57 0.00 0.00 175.55 174.88 3iur s ARG 397 N -2.06 3.53 -0.11 -0.62 3.52 0.82 -1.57 118.95 122.46 3iur s ARG 397 Ca 0.11 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.55 3iur s ARG 397 Cb -0.10 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 3iur s ARG 397 CO 0.05 0.68 -0.19 0.12 -0.81 0.00 0.00 175.30 175.16 3iur s PHE 398 N -0.75 2.23 -0.46 5.12 5.36 0.85 -1.31 117.98 129.03 3iur s PHE 398 Ca 0.13 -1.03 -0.18 0.00 -0.96 0.00 0.00 56.93 54.89 3iur s PHE 398 Cb -0.12 -1.55 0.04 0.00 -0.34 0.00 0.00 43.02 41.05 3iur s PHE 398 CO 0.03 -0.48 0.53 -1.21 -1.46 0.00 0.00 175.22 172.62 3iur s GLU 399 N 0.77 3.12 0.31 10.12 0.41 0.95 -1.53 118.70 132.85 3iur s GLU 399 Ca -0.10 -0.79 0.05 0.00 -0.41 0.00 0.00 54.97 53.72 3iur s GLU 399 Cb -0.16 -4.02 0.68 0.00 -1.78 0.00 0.00 34.13 28.85 3iur s GLU 399 CO 0.01 -1.01 1.84 -1.35 -0.49 0.00 0.00 175.26 174.26 3iur h PRO 400 N 8.84 0.83 -0.14 0.39 0.11 -1.87 0.83 132.00 140.99 3iur h PRO 400 Ca -0.27 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 3iur h PRO 400 Cb 1.10 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3iur h PRO 400 CO 0.87 0.55 -0.21 0.87 -0.21 0.00 0.00 178.00 179.87 3iur h LYS 401 N 0.85 0.39 0.00 1.05 1.57 -1.93 -3.34 116.57 115.16 3iur h LYS 401 Ca 0.49 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3iur h LYS 401 Cb 0.62 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3iur h LYS 401 CO -0.25 0.82 -1.47 -1.13 -0.57 0.00 0.00 179.45 176.84 3iur n SER 402 N -4.49 0.41 0.00 0.86 3.41 -1.14 -4.96 113.62 107.72 3iur n SER 402 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3iur n SER 402 Cb 0.41 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.63 3iur n SER 402 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iur n GLY 403 N 1.27 0.81 3.77 5.00 0.00 0.29 -4.99 105.19 111.33 3iur n GLY 403 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3iur n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iur s ALA 404 N -3.21 3.50 -0.00 4.61 0.00 -1.20 -4.72 121.76 120.75 3iur s ALA 404 Ca 0.00 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.29 3iur s ALA 404 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3iur s ALA 404 CO 0.00 -0.64 -0.22 0.42 0.00 0.00 0.00 175.76 175.32 3iur s ILE 405 N -1.04 1.72 0.03 0.00 1.01 -1.26 -0.04 121.20 121.62 3iur s ILE 405 Ca 0.50 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 60.07 3iur s ILE 405 Cb -0.40 -1.44 -0.00 0.00 0.01 0.00 0.00 42.46 40.63 3iur s ILE 405 CO 0.52 0.43 0.16 -0.94 0.00 0.00 0.00 174.94 175.11 3iur s SER 406 N -0.65 0.07 0.11 3.58 1.04 -0.42 -4.98 113.70 112.45 3iur s SER 406 Ca 0.08 -0.37 -0.31 0.00 0.48 0.00 0.00 55.95 55.83 3iur s SER 406 Cb -0.08 0.26 -0.08 0.00 0.10 0.00 0.00 66.02 66.21 3iur s SER 406 CO -0.00 -0.50 1.35 -0.22 0.98 0.00 0.00 173.24 174.84 3iur s LEU 407 N -1.94 4.37 -0.24 2.42 2.96 -1.26 -0.12 118.68 124.86 3iur s LEU 407 Ca -0.07 2.28 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 3iur s LEU 407 Cb -0.02 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 42.97 3iur s LEU 407 CO -0.03 -0.61 -0.30 0.00 -1.32 0.00 0.00 176.35 174.09 3iur n TYR 408 N 3.83 0.00 -3.69 5.38 9.36 0.53 -4.76 117.16 127.80 3iur n TYR 408 Ca 0.11 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.18 3iur n TYR 408 Cb 0.43 -0.87 -0.14 0.00 -0.63 0.00 0.00 39.34 38.13 3iur n TYR 408 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3iur s ARG 409 N -2.44 0.10 0.56 2.98 1.81 -0.66 -5.01 118.95 116.28 3iur s ARG 409 Ca -0.33 0.57 -0.14 0.00 -1.72 0.00 0.00 55.73 54.10 3iur s ARG 409 Cb 0.12 -0.17 -0.06 0.00 -0.45 0.00 0.00 34.95 34.39 3iur s ARG 409 CO 0.44 -0.25 1.00 0.00 -0.68 0.00 0.00 175.30 175.81 3iur s ALA 410 N 1.96 3.08 0.58 2.13 0.00 -1.26 -1.50 121.76 126.75 3iur s ALA 410 Ca -0.02 0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 3iur s ALA 410 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3iur s ALA 410 CO -0.07 -0.42 1.14 0.45 0.00 0.00 0.00 175.76 176.87 3iur s SER 411 N -3.52 5.44 0.00 0.00 0.15 -1.26 -4.91 113.70 109.61 3iur s SER 411 Ca 0.57 2.18 0.26 0.00 0.70 0.00 0.00 55.95 59.66 3iur s SER 411 Cb -0.10 -2.58 0.66 0.00 -1.71 0.00 0.00 66.02 62.29 3iur s SER 411 CO 0.40 -1.41 1.51 0.00 1.20 0.00 0.00 173.24 174.94 3iur n ALA 412 N -1.65 3.31 -1.77 5.45 0.00 -1.26 -4.90 120.51 119.68 3iur n ALA 412 Ca 0.12 -0.35 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 3iur n ALA 412 Cb 0.51 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3iur n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iur s ALA 413 N -2.83 3.45 0.00 0.00 0.00 -1.26 -4.79 121.76 116.33 3iur s ALA 413 Ca 0.16 1.56 -0.03 0.00 0.00 0.00 0.00 51.96 53.65 3iur s ALA 413 Cb 0.18 -3.61 -0.12 0.00 0.00 0.00 0.00 23.12 19.57 3iur s ALA 413 CO 0.63 -1.15 2.00 -0.35 0.00 0.00 0.00 175.76 176.89 3iur n PRO 414 N 0.17 1.00 -3.63 0.00 -0.04 -1.26 -4.69 135.00 126.55 3iur n PRO 414 Ca 0.03 -0.43 -0.20 0.00 -0.04 0.00 0.00 63.50 62.86 3iur n PRO 414 Cb 0.40 -1.65 -0.16 0.00 -0.04 0.00 0.00 33.50 32.05 3iur n PRO 414 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iur s PHE 415 N 1.61 -0.03 -0.28 0.54 0.08 -1.26 -5.12 117.98 113.52 3iur s PHE 415 Ca 0.29 0.24 -0.24 0.00 0.12 0.00 0.00 56.93 57.34 3iur s PHE 415 Cb 0.14 -0.44 -0.00 0.00 -0.57 0.00 0.00 43.02 42.15 3iur s PHE 415 CO 0.00 -0.34 0.83 0.15 -0.10 0.00 0.00 175.22 175.76 3iur s LYS 416 N 2.22 4.08 0.45 0.44 1.02 -1.26 -4.78 119.74 121.90 3iur s LYS 416 Ca 0.04 0.79 0.22 0.00 0.02 0.00 0.00 55.97 57.05 3iur s LYS 416 Cb -0.13 -3.69 1.21 0.00 -0.52 0.00 0.00 37.83 34.70 3iur s LYS 416 CO -0.06 -0.62 1.83 -1.35 -0.92 0.00 0.00 175.35 174.22 3iur h PRO 417 N 7.91 0.28 0.00 -1.68 0.11 -1.95 -0.77 132.00 135.89 3iur h PRO 417 Ca -0.23 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3iur h PRO 417 Cb 1.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3iur h PRO 417 CO 0.89 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 178.01 3iur n GLU 418 N -4.47 0.06 0.00 1.05 0.00 -1.26 -2.07 120.64 113.94 3iur n GLU 418 Ca 0.22 0.29 0.13 0.00 0.00 0.00 0.00 57.16 57.81 3iur n GLU 418 Cb 0.87 -1.61 0.46 0.00 0.00 0.00 0.00 31.44 31.16 3iur n GLU 418 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3iur n ASP 419 N -1.72 0.53 -4.41 -1.84 8.00 -0.29 -4.88 116.55 111.93 3iur n ASP 419 Ca 0.03 -0.40 -0.21 0.00 0.71 0.00 0.00 54.79 54.92 3iur n ASP 419 Cb 0.19 -0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 3iur n ASP 419 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3iur s TYR 420 N -2.70 1.96 0.03 1.24 2.02 -0.88 -0.53 117.35 118.49 3iur s TYR 420 Ca 0.21 -0.52 0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3iur s TYR 420 Cb 0.19 -0.94 -0.02 0.00 -0.40 0.00 0.00 41.96 40.79 3iur s TYR 420 CO 0.55 0.46 -0.15 0.08 -1.57 0.00 0.00 175.55 174.93 3iur s VAL 421 N -2.82 1.16 -0.04 0.71 1.01 0.38 -4.76 120.40 116.03 3iur s VAL 421 Ca 0.26 -0.94 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 3iur s VAL 421 Cb -0.01 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3iur s VAL 421 CO 0.11 0.08 0.01 -0.44 0.00 0.00 0.00 175.10 174.85 3iur s SER 422 N -0.99 0.67 0.05 3.32 0.01 -1.26 -1.32 113.70 114.18 3iur s SER 422 Ca 0.03 -0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.29 3iur s SER 422 Cb -0.07 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 3iur s SER 422 CO 0.01 -0.13 -0.08 -1.83 0.41 0.00 0.00 173.24 171.62 3iur s GLU 423 N 1.27 0.60 -0.12 12.44 -1.05 0.04 -4.97 118.70 126.91 3iur s GLU 423 Ca -0.06 -0.87 -0.01 0.00 -0.15 0.00 0.00 54.97 53.88 3iur s GLU 423 Cb -0.13 -0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.22 3iur s GLU 423 CO -0.02 0.05 -0.07 -1.14 0.95 0.00 0.00 175.26 175.03 3iur s GLN 424 N -1.96 3.25 0.27 -4.83 0.74 -1.26 -0.89 119.66 114.98 3iur s GLN 424 Ca -0.06 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 54.83 3iur s GLN 424 Cb -0.08 -2.73 -0.06 0.00 1.10 0.00 0.00 33.01 31.25 3iur s GLN 424 CO -0.00 0.40 -0.01 1.03 -0.55 0.00 0.00 175.29 176.16 3iur s ARG 425 N -0.10 1.49 -0.05 1.67 1.81 0.17 -4.98 118.95 118.96 3iur s ARG 425 Ca 0.01 -1.77 0.01 0.00 -1.72 0.00 0.00 55.73 52.25 3iur s ARG 425 Cb -0.13 -0.88 0.02 0.00 -0.45 0.00 0.00 34.95 33.51 3iur s ARG 425 CO 0.03 -0.07 -0.05 -0.06 -0.68 0.00 0.00 175.30 174.47 3iur s PHE 426 N -3.24 0.89 0.39 -0.53 0.08 -1.26 -0.59 117.98 113.72 3iur s PHE 426 Ca 0.31 -0.28 0.06 0.00 0.12 0.00 0.00 56.93 57.14 3iur s PHE 426 Cb 0.06 -0.77 -0.08 0.00 -0.57 0.00 0.00 43.02 41.66 3iur s PHE 426 CO 0.12 -0.23 0.01 1.52 -0.10 0.00 0.00 175.22 176.53 3iur s TYR 427 N 1.02 2.41 -0.17 0.36 -0.85 -0.40 -4.89 117.35 114.83 3iur s TYR 427 Ca -0.09 -0.72 -0.06 0.00 -0.52 0.00 0.00 57.07 55.68 3iur s TYR 427 Cb -0.14 -1.67 -0.04 0.00 0.38 0.00 0.00 41.96 40.50 3iur s TYR 427 CO -0.00 0.37 0.03 -0.65 -1.52 0.00 0.00 175.55 173.78 3iur s GLN 428 N -3.74 3.81 0.86 -3.49 -0.21 -1.26 -0.10 119.66 115.52 3iur s GLN 428 Ca 0.35 -0.39 -0.13 0.00 0.02 0.00 0.00 55.36 55.21 3iur s GLN 428 Cb 0.09 -3.09 0.11 0.00 1.00 0.00 0.00 33.01 31.12 3iur s GLN 428 CO 0.17 0.31 1.19 0.45 -2.12 0.00 0.00 175.29 175.29 3iur s SER 429 N 0.24 4.06 0.27 5.90 0.15 0.25 -4.88 113.70 119.70 3iur s SER 429 Ca 0.02 0.76 -0.02 0.00 0.70 0.00 0.00 55.95 57.41 3iur s SER 429 Cb -0.13 -1.21 0.59 0.00 -1.71 0.00 0.00 66.02 63.57 3iur s SER 429 CO 0.01 -2.18 1.64 0.50 1.20 0.00 0.00 173.24 174.40 3iur h LYS 430 N -1.25 0.15 -0.29 5.44 3.64 -1.88 0.46 116.57 122.85 3iur h LYS 430 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3iur h LYS 430 Cb 1.32 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3iur h LYS 430 CO 0.61 0.10 0.00 -0.40 -2.27 0.00 0.00 179.45 177.49 3iur n ASP 431 N -5.29 1.20 0.00 4.20 5.68 -1.26 -4.88 116.55 116.20 3iur n ASP 431 Ca 0.18 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 3iur n ASP 431 Cb 0.59 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.39 3iur n ASP 431 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iur n GLY 432 N 0.72 1.96 3.73 6.12 0.00 0.15 -5.04 105.19 112.83 3iur n GLY 432 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3iur n GLY 432 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3iur n THR 433 N -2.00 0.86 -3.16 2.61 -1.04 -1.26 -4.55 114.28 105.74 3iur n THR 433 Ca 0.00 -0.21 -0.39 0.00 -2.04 0.00 0.00 64.05 61.41 3iur n THR 433 Cb 0.00 -1.87 -0.05 0.00 -1.82 0.00 0.00 70.33 66.59 3iur n THR 433 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3iur s ARG 434 N -0.25 4.39 -0.03 -2.82 3.52 -1.26 0.88 118.95 123.38 3iur s ARG 434 Ca 0.66 0.69 0.05 0.00 -0.13 0.00 0.00 55.73 57.00 3iur s ARG 434 Cb -0.53 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 3iur s ARG 434 CO 0.46 0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 174.96 3iur s VAL 435 N 0.76 1.38 0.40 7.11 1.01 0.85 -4.93 120.40 126.97 3iur s VAL 435 Ca 0.32 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.35 3iur s VAL 435 Cb -0.17 -1.17 -0.09 0.00 0.00 0.00 0.00 36.38 34.96 3iur s VAL 435 CO 0.15 0.39 1.03 -2.84 0.00 0.00 0.00 175.10 173.83 3iur s PRO 436 N -0.16 4.20 -0.10 2.72 0.02 -1.26 -1.27 135.00 139.16 3iur s PRO 436 Ca 0.01 1.45 -0.04 0.00 0.02 0.00 0.00 61.00 62.44 3iur s PRO 436 Cb -0.09 -2.52 0.05 0.00 0.02 0.00 0.00 34.50 31.96 3iur s PRO 436 CO 0.01 -0.10 0.20 -1.17 -0.33 0.00 0.00 177.00 175.61 3iur s LEU 437 N -2.66 0.01 -0.20 -5.54 2.96 0.24 -1.50 118.68 111.99 3iur s LEU 437 Ca 0.58 0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 54.84 3iur s LEU 437 Cb -0.20 0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.91 3iur s LEU 437 CO 0.25 -0.22 0.05 -0.63 -1.32 0.00 0.00 176.35 174.48 3iur s ILE 438 N 2.09 4.53 -0.09 6.68 1.01 -0.20 -0.66 121.20 134.56 3iur s ILE 438 Ca -0.00 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.57 3iur s ILE 438 Cb -0.12 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.29 3iur s ILE 438 CO -0.07 0.43 -0.24 -0.63 0.00 0.00 0.00 174.94 174.43 3iur s ILE 439 N 0.73 2.06 0.06 2.92 1.01 -0.07 -0.83 121.20 127.08 3iur s ILE 439 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.70 3iur s ILE 439 Cb -0.14 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 3iur s ILE 439 CO 0.02 0.56 -0.15 -0.44 0.00 0.00 0.00 174.94 174.93 3iur s SER 440 N 0.21 1.81 0.12 3.58 0.01 0.31 -0.78 113.70 118.95 3iur s SER 440 Ca -0.15 -0.54 -0.26 0.00 1.31 0.00 0.00 55.95 56.31 3iur s SER 440 Cb -0.17 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.04 3iur s SER 440 CO 0.08 0.01 1.04 -0.72 0.41 0.00 0.00 173.24 174.06 3iur s TYR 441 N -1.02 -0.10 0.24 2.43 -0.85 -0.44 -0.91 117.35 116.70 3iur s TYR 441 Ca 0.01 -0.17 -0.30 0.00 -0.52 0.00 0.00 57.07 56.10 3iur s TYR 441 Cb -0.09 0.62 -0.09 0.00 0.38 0.00 0.00 41.96 42.78 3iur s TYR 441 CO 0.02 -0.70 1.22 1.03 -1.52 0.00 0.00 175.55 175.59 3iur s ARG 442 N -3.02 4.48 0.69 -3.49 1.81 -1.26 -0.47 118.95 117.69 3iur s ARG 442 Ca 0.13 1.96 -0.17 0.00 -1.72 0.00 0.00 55.73 55.94 3iur s ARG 442 Cb 0.00 -3.18 0.00 0.00 -0.45 0.00 0.00 34.95 31.32 3iur s ARG 442 CO 0.01 -0.07 1.10 1.63 -0.68 0.00 0.00 175.30 177.28 3iur n LYS 443 N 1.89 0.72 -0.23 3.54 5.02 0.31 -3.15 118.16 126.26 3iur n LYS 443 Ca 0.03 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3iur n LYS 443 Cb 0.44 -2.34 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3iur n LYS 443 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iur n GLY 444 N 1.02 0.75 3.77 0.72 0.00 -1.26 -5.01 105.19 105.17 3iur n GLY 444 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3iur n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iur s LEU 445 N 0.00 4.33 -0.02 0.99 0.20 -1.19 -5.03 118.68 117.96 3iur s LEU 445 Ca 0.00 2.33 0.02 0.00 0.69 0.00 0.00 54.13 57.17 3iur s LEU 445 Cb 0.00 -3.87 -0.03 0.00 -0.43 0.00 0.00 46.19 41.86 3iur s LEU 445 CO 0.00 -0.47 -0.03 -0.54 -0.29 0.00 0.00 176.35 175.02 3iur s LYS 446 N -1.99 2.72 -1.15 1.98 1.02 -1.26 -5.01 119.74 116.05 3iur s LYS 446 Ca 0.52 -0.61 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 3iur s LYS 446 Cb -0.31 -2.61 0.06 0.00 -0.52 0.00 0.00 37.83 34.44 3iur s LYS 446 CO 0.40 0.63 2.60 1.28 -0.92 0.00 0.00 175.35 179.34 3iur n LEU 447 N 1.68 7.76 -1.72 3.17 4.77 -1.26 -4.49 117.00 126.91 3iur n LEU 447 Ca -0.16 -4.59 0.08 0.00 -0.03 0.00 0.00 56.01 51.31 3iur n LEU 447 Cb 0.53 -1.37 0.38 0.00 -2.33 0.00 0.00 43.42 40.63 3iur n LEU 447 CO 0.31 1.99 0.84 -0.90 -1.33 0.00 0.00 177.39 178.31 3iur n ASP 448 N 1.88 5.29 -0.38 -1.43 5.68 -1.08 -4.64 116.55 121.88 3iur n ASP 448 Ca 0.62 -2.78 -0.05 0.00 -0.50 0.00 0.00 54.79 52.08 3iur n ASP 448 Cb 0.33 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 39.65 3iur n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iur n GLY 449 N 0.71 0.59 0.36 6.12 0.00 0.21 -4.88 105.19 108.31 3iur n GLY 449 Ca 0.27 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3iur n GLY 449 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iur n SER 450 N -0.63 1.61 -4.69 1.61 3.41 -1.26 -2.39 113.62 111.28 3iur n SER 450 Ca -0.05 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.83 3iur n SER 450 Cb 0.41 0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 64.82 3iur n SER 450 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3iur s ASN 451 N -1.95 6.94 0.03 4.04 0.01 -1.03 -4.92 114.94 118.05 3iur s ASN 451 Ca 0.13 2.03 -0.30 0.00 -0.71 0.00 0.00 52.86 54.01 3iur s ASN 451 Cb 0.13 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.15 3iur s ASN 451 CO 0.42 -0.64 1.68 -2.16 -1.51 0.00 0.00 177.10 174.90 3iur s PRO 452 N 2.06 4.19 -0.00 -0.60 0.04 -1.26 -4.45 135.00 134.97 3iur s PRO 452 Ca 0.61 2.31 0.05 0.00 0.04 0.00 0.00 61.00 64.01 3iur s PRO 452 Cb -0.30 -3.78 -0.01 0.00 0.04 0.00 0.00 34.50 30.45 3iur s PRO 452 CO 0.26 -0.79 -0.16 0.99 0.04 0.00 0.00 177.00 177.34 3iur s THR 453 N 3.28 1.25 -0.19 1.26 2.01 0.57 -0.58 115.64 123.23 3iur s THR 453 Ca 0.75 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3iur s THR 453 Cb -0.38 -1.06 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 3iur s THR 453 CO 0.32 0.29 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.81 3iur s ILE 454 N -0.46 2.95 -0.23 1.82 1.01 -0.40 -0.72 121.20 125.16 3iur s ILE 454 Ca 0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 3iur s ILE 454 Cb -0.06 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3iur s ILE 454 CO -0.00 0.47 0.10 -0.22 0.00 0.00 0.00 174.94 175.29 3iur s LEU 455 N 1.23 3.74 0.01 2.97 2.96 -0.04 -1.17 118.68 128.39 3iur s LEU 455 Ca 0.03 -0.05 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 3iur s LEU 455 Cb -0.14 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3iur s LEU 455 CO -0.04 0.04 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.34 3iur s TYR 456 N 1.21 2.47 0.28 5.38 5.04 0.97 -0.63 117.35 132.07 3iur s TYR 456 Ca 0.05 -0.33 -0.17 0.00 -2.44 0.00 0.00 57.07 54.19 3iur s TYR 456 Cb -0.14 -1.49 0.02 0.00 0.35 0.00 0.00 41.96 40.70 3iur s TYR 456 CO 0.04 0.13 0.64 0.20 -1.34 0.00 0.00 175.55 175.23 3iur s GLY 457 N -1.04 0.21 0.00 8.97 0.00 -1.13 -1.66 107.32 112.66 3iur s GLY 457 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.27 3iur s GLY 457 CO 0.02 -0.31 0.00 2.98 0.00 0.00 0.00 173.10 175.79 3iur n TYR 458 N -0.45 0.00 -1.35 1.90 9.36 -1.26 -4.55 117.16 120.80 3iur n TYR 458 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 3iur n TYR 458 Cb 0.60 0.01 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 3iur n TYR 458 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3iur n GLY 459 N 1.83 0.38 0.00 2.98 0.00 -1.26 -4.38 105.19 104.73 3iur n GLY 459 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3iur n GLY 459 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iur n GLY 460 N -1.13 1.05 2.23 -0.02 0.00 -1.11 -4.70 105.19 101.51 3iur n GLY 460 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 3iur n GLY 460 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iur n PHE 461 N -0.75 -0.65 -1.82 1.61 3.72 -1.09 -1.74 117.46 116.75 3iur n PHE 461 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 3iur n PHE 461 Cb 0.00 -2.88 -0.06 0.00 -0.94 0.00 0.00 39.48 35.60 3iur n PHE 461 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3iur n ASP 462 N -1.09 -5.43 -4.69 4.37 2.03 -0.59 -4.90 116.55 106.24 3iur n ASP 462 Ca -0.16 0.33 -0.40 0.00 0.52 0.00 0.00 54.79 55.08 3iur n ASP 462 Cb 0.54 -4.60 -0.05 0.00 -0.72 0.00 0.00 41.12 36.29 3iur n ASP 462 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iur s VAL 463 N -2.80 5.05 -0.08 5.18 1.01 -0.71 -3.07 120.40 124.98 3iur s VAL 463 Ca 0.00 1.29 -0.13 0.00 0.00 0.00 0.00 61.98 63.13 3iur s VAL 463 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3iur s VAL 463 CO 0.00 0.19 0.33 -0.44 0.00 0.00 0.00 175.10 175.18 3iur s SER 464 N 0.94 6.61 -0.52 3.32 0.01 -1.26 -1.99 113.70 120.80 3iur s SER 464 Ca 0.32 0.72 -0.19 0.00 1.31 0.00 0.00 55.95 58.12 3iur s SER 464 Cb -0.16 -2.20 0.07 0.00 0.21 0.00 0.00 66.02 63.94 3iur s SER 464 CO 0.13 0.25 0.62 -0.76 0.41 0.00 0.00 173.24 173.90 3iur s LEU 465 N -0.51 5.16 0.07 2.44 1.43 -1.26 -4.94 118.68 121.08 3iur s LEU 465 Ca 0.20 -1.10 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 3iur s LEU 465 Cb -0.15 -2.38 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 3iur s LEU 465 CO 0.09 -0.92 0.03 0.42 0.23 0.00 0.00 176.35 176.20 3iur s THR 466 N 2.52 4.26 0.32 5.49 -4.23 -1.26 -4.88 115.64 117.85 3iur s THR 466 Ca 0.13 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.50 3iur s THR 466 Cb -0.21 -3.02 -0.12 0.00 1.34 0.00 0.00 72.50 70.49 3iur s THR 466 CO 0.10 0.15 1.53 -2.65 -0.54 0.00 0.00 174.62 173.21 3iur n PRO 467 N 0.62 2.60 -3.69 3.99 -0.02 -1.26 -5.01 135.00 132.22 3iur n PRO 467 Ca -0.10 0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 62.16 3iur n PRO 467 Cb 0.52 -2.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.25 3iur n PRO 467 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iur s SER 468 N 0.23 -0.53 0.16 2.55 1.04 -1.26 -4.08 113.70 111.80 3iur s SER 468 Ca 0.60 0.98 -0.30 0.00 0.48 0.00 0.00 55.95 57.72 3iur s SER 468 Cb -0.51 1.00 -0.07 0.00 0.10 0.00 0.00 66.02 66.54 3iur s SER 468 CO 0.54 -0.22 0.99 0.12 0.98 0.00 0.00 173.24 175.66 3iur s PHE 469 N 0.12 3.80 -0.01 5.02 5.36 -1.10 -4.02 117.98 127.15 3iur s PHE 469 Ca -0.01 1.78 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 3iur s PHE 469 Cb -0.04 -3.09 0.01 0.00 -0.34 0.00 0.00 43.02 39.56 3iur s PHE 469 CO 0.01 0.07 -0.00 -1.54 -1.46 0.00 0.00 175.22 172.30 3iur s SER 470 N -0.30 0.20 0.21 6.13 1.04 -1.26 -5.01 113.70 114.71 3iur s SER 470 Ca 0.46 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.79 3iur s SER 470 Cb -0.25 -0.07 0.16 0.00 0.10 0.00 0.00 66.02 65.96 3iur s SER 470 CO 0.32 -0.03 1.82 0.58 0.98 0.00 0.00 173.24 176.90 3iur h VAL 471 N 5.53 1.24 -0.27 5.02 2.07 -1.94 -1.50 116.25 126.40 3iur h VAL 471 Ca -0.32 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3iur h VAL 471 Cb 1.18 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3iur h VAL 471 CO 0.50 0.28 0.05 -1.28 0.02 0.00 0.00 177.57 177.14 3iur h SER 472 N 1.11 0.01 -0.68 0.57 0.87 -1.96 0.34 113.55 113.81 3iur h SER 472 Ca 0.27 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 3iur h SER 472 Cb 0.08 0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 3iur h SER 472 CO -0.04 0.04 0.14 0.58 -0.53 0.00 0.00 176.83 177.02 3iur h VAL 473 N 0.15 1.26 -0.73 2.23 2.07 -1.90 -2.39 116.25 116.95 3iur h VAL 473 Ca 0.13 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3iur h VAL 473 Cb 0.13 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 3iur h VAL 473 CO -0.17 0.38 0.46 0.00 0.02 0.00 0.00 177.57 178.26 3iur h ALA 474 N 1.10 1.42 -0.45 1.67 0.00 -0.65 -0.79 119.26 121.57 3iur h ALA 474 Ca 0.21 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3iur h ALA 474 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3iur h ALA 474 CO 0.01 0.51 -0.05 -0.91 0.00 0.00 0.00 179.25 178.81 3iur h ASN 475 N 1.00 0.75 -0.49 0.00 2.35 -0.52 -1.64 115.58 117.03 3iur h ASN 475 Ca 0.27 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3iur h ASN 475 Cb -0.07 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 3iur h ASN 475 CO -0.05 0.84 0.26 -0.25 -1.65 0.00 0.00 177.43 176.58 3iur h TRP 476 N 0.71 0.68 -0.73 1.19 2.91 -0.71 -1.82 115.95 118.18 3iur h TRP 476 Ca 0.13 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.10 3iur h TRP 476 Cb 0.50 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.90 3iur h TRP 476 CO 0.03 0.52 0.33 -0.07 -1.03 0.00 0.00 178.44 178.21 3iur h LEU 477 N 0.65 0.97 -1.63 0.65 3.38 -0.94 -0.64 115.31 117.76 3iur h LEU 477 Ca 0.17 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3iur h LEU 477 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3iur h LEU 477 CO -0.03 0.84 -0.18 0.44 0.09 0.00 0.00 178.44 179.60 3iur h ASP 478 N 1.05 0.00 0.61 -0.43 3.32 -0.79 -1.13 116.42 119.05 3iur h ASP 478 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3iur h ASP 478 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iur h ASP 478 CO -0.03 0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.86 3iur n LEU 479 N -3.66 0.00 0.00 1.55 4.77 -0.73 -4.11 117.00 114.82 3iur n LEU 479 Ca -0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3iur n LEU 479 Cb 0.31 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3iur n LEU 479 CO 0.32 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3iur n GLY 480 N 1.06 1.05 3.90 -0.72 0.00 -0.43 -1.24 105.19 108.81 3iur n GLY 480 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3iur n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iur s GLY 481 N -2.00 1.57 -0.07 -0.02 0.00 -0.30 -4.44 107.32 102.07 3iur s GLY 481 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.25 3iur s GLY 481 CO 0.00 -0.25 -0.08 0.14 0.00 0.00 0.00 173.10 172.91 3iur s VAL 482 N -2.95 3.57 -0.16 1.40 1.01 0.25 -4.27 120.40 119.25 3iur s VAL 482 Ca 0.52 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3iur s VAL 482 Cb -0.11 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3iur s VAL 482 CO 0.47 0.59 -0.19 -0.47 0.00 0.00 0.00 175.10 175.50 3iur s TYR 483 N -0.72 2.62 -0.05 5.22 5.04 -0.09 -1.28 117.35 128.08 3iur s TYR 483 Ca 0.11 -1.49 0.04 0.00 -2.44 0.00 0.00 57.07 53.30 3iur s TYR 483 Cb -0.11 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.37 3iur s TYR 483 CO 0.01 -0.73 -0.19 0.00 -1.34 0.00 0.00 175.55 173.30 3iur s ALA 484 N 1.22 1.70 -0.15 3.97 0.00 -0.31 -0.53 121.76 127.66 3iur s ALA 484 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3iur s ALA 484 Cb -0.14 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3iur s ALA 484 CO -0.10 0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.86 3iur s VAL 485 N 0.09 1.79 -0.12 0.00 1.01 -0.01 -0.02 120.40 123.15 3iur s VAL 485 Ca -0.07 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.04 3iur s VAL 485 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3iur s VAL 485 CO 0.03 0.50 0.18 0.00 0.00 0.00 0.00 175.10 175.81 3iur s ALA 486 N 1.21 3.81 -1.13 5.51 0.00 -0.67 -1.03 121.76 129.46 3iur s ALA 486 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.29 3iur s ALA 486 Cb -0.14 -2.08 0.26 0.00 0.00 0.00 0.00 23.12 21.16 3iur s ALA 486 CO -0.08 0.49 1.23 0.09 0.00 0.00 0.00 175.76 177.49 3iur n ASN 487 N 2.33 5.57 -4.75 0.00 3.02 -0.56 -4.57 115.26 116.30 3iur n ASN 487 Ca -0.18 -3.07 -0.31 0.00 -0.03 0.00 0.00 54.58 50.99 3iur n ASN 487 Cb 0.54 -1.40 0.10 0.00 -0.61 0.00 0.00 39.78 38.41 3iur n ASN 487 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iur s LEU 488 N -0.96 2.85 0.88 3.41 1.43 -1.26 -4.35 118.68 120.67 3iur s LEU 488 Ca 0.33 1.76 -0.10 0.00 -1.03 0.00 0.00 54.13 55.09 3iur s LEU 488 Cb -0.07 -4.38 0.12 0.00 0.03 0.00 0.00 46.19 41.89 3iur s LEU 488 CO -0.04 -2.20 1.12 -0.13 0.23 0.00 0.00 176.35 175.32 3iur s ARG 489 N -4.90 1.33 0.00 1.70 0.52 -1.26 -2.77 118.95 113.57 3iur s ARG 489 Ca 0.62 1.37 0.00 0.00 -0.52 0.00 0.00 55.73 57.20 3iur s ARG 489 Cb -0.17 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.52 3iur s ARG 489 CO 0.56 -2.35 0.00 0.41 0.02 0.00 0.00 175.30 173.94 3iur n GLY 490 N -0.27 3.18 3.32 -3.53 0.00 0.12 -4.09 105.19 103.92 3iur n GLY 490 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3iur n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iur n GLY 491 N -2.00 -0.42 1.75 -0.02 0.00 -1.11 -1.54 105.19 101.84 3iur n GLY 491 Ca 0.00 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.08 3iur n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iur n GLY 492 N -2.04 4.16 0.20 -0.02 0.00 -0.84 -3.63 105.19 103.02 3iur n GLY 492 Ca 0.14 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.23 3iur n GLY 492 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iur h GLU 493 N 1.84 0.00 0.00 1.61 3.07 -1.87 -3.43 114.58 115.80 3iur h GLU 493 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 3iur h GLU 493 Cb 2.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.13 3iur h GLU 493 CO 0.69 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.96 3iur n TYR 494 N -2.76 0.00 -2.80 4.33 4.01 -1.26 -4.39 117.16 114.29 3iur n TYR 494 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 3iur n TYR 494 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 3iur n TYR 494 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iur n GLY 495 N 2.56 6.10 0.28 2.72 0.00 -1.26 -4.65 105.19 110.95 3iur n GLY 495 Ca 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 43.94 3iur n GLY 495 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3iur h GLN 496 N 0.00 0.72 -0.85 1.61 4.15 -1.95 -2.84 115.11 115.94 3iur h GLN 496 Ca 0.00 -0.19 0.01 0.00 0.77 0.00 0.00 58.65 59.24 3iur h GLN 496 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 3iur h GLN 496 CO 0.00 0.74 0.56 0.00 -1.93 0.00 0.00 178.83 178.21 3iur h ALA 497 N 1.31 1.09 -0.71 3.38 0.00 -1.98 0.66 119.26 123.00 3iur h ALA 497 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3iur h ALA 497 Cb 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iur h ALA 497 CO 0.02 0.47 0.31 2.35 0.00 0.00 0.00 179.25 182.40 3iur h TRP 498 N 1.14 1.06 0.50 0.00 2.91 -1.85 -0.22 115.95 119.50 3iur h TRP 498 Ca 0.32 -0.07 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 3iur h TRP 498 Cb -0.11 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.23 3iur h TRP 498 CO -0.01 0.81 -0.24 1.25 -1.03 0.00 0.00 178.44 179.22 3iur h HIS 499 N 1.01 -0.62 -0.44 2.65 2.76 -1.27 0.39 115.15 119.63 3iur h HIS 499 Ca 0.24 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.50 3iur h HIS 499 Cb 0.17 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 3iur h HIS 499 CO 0.01 -0.30 0.31 -0.07 -1.30 0.00 0.00 177.93 176.58 3iur h LEU 500 N -0.90 0.13 0.00 0.26 3.38 -0.80 -0.46 115.31 116.92 3iur h LEU 500 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3iur h LEU 500 Cb 0.60 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3iur h LEU 500 CO 0.11 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.72 3iur n ALA 501 N -2.58 1.69 -1.37 1.53 0.00 -0.10 -1.88 120.51 117.80 3iur n ALA 501 Ca 0.07 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3iur n ALA 501 Cb 0.41 -1.17 0.13 0.00 0.00 0.00 0.00 19.45 18.83 3iur n ALA 501 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iur n GLY 502 N -0.40 4.25 3.52 0.00 0.00 -0.19 -4.61 105.19 107.77 3iur n GLY 502 Ca 0.05 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 3iur n GLY 502 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iur s THR 503 N -2.49 2.68 0.00 2.61 -4.23 -0.79 -4.32 115.64 109.11 3iur s THR 503 Ca 0.30 -2.26 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 3iur s THR 503 Cb 0.27 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.64 3iur s THR 503 CO -0.01 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 173.71 3iur n GLN 504 N -0.72 0.00 -0.16 3.99 6.02 0.20 -0.28 117.38 126.44 3iur n GLN 504 Ca -0.05 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.95 3iur n GLN 504 Cb 0.60 0.00 0.08 0.00 1.02 0.00 0.00 30.24 31.94 3iur n GLN 504 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iur n GLN 505 N 2.51 1.68 0.00 -1.09 6.02 -1.26 -2.54 117.38 122.70 3iur n GLN 505 Ca 0.00 -0.62 0.00 0.00 -0.01 0.00 0.00 57.00 56.37 3iur n GLN 505 Cb 0.00 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3iur n GLN 505 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iur n ASN 506 N 0.08 1.36 -0.20 1.08 5.03 0.61 -4.79 115.26 118.43 3iur n ASN 506 Ca 0.05 -1.46 0.15 0.00 0.87 0.00 0.00 54.58 54.19 3iur n ASN 506 Cb 0.36 0.00 0.48 0.00 -1.02 0.00 0.00 39.78 39.60 3iur n ASN 506 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.26 175.93 3iur h LYS 507 N 0.00 0.46 -0.57 3.52 1.63 -1.46 -1.00 116.57 119.15 3iur h LYS 507 Ca 0.00 -0.03 0.16 0.00 -0.85 0.00 0.00 60.65 59.93 3iur h LYS 507 Cb 0.31 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3iur h LYS 507 CO 0.00 0.30 0.41 0.37 -3.45 0.00 0.00 179.45 177.08 3iur h GLN 508 N 0.47 0.04 -0.83 1.90 5.75 -1.87 -0.56 115.11 120.02 3iur h GLN 508 Ca 0.40 -0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.98 3iur h GLN 508 Cb 0.88 -0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.36 3iur h GLN 508 CO -0.15 0.03 0.54 -0.91 -2.65 0.00 0.00 178.83 175.69 3iur h ASN 509 N 0.04 0.77 -0.31 -0.69 2.35 -1.44 -0.05 115.58 116.25 3iur h ASN 509 Ca 0.27 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3iur h ASN 509 Cb 1.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3iur h ASN 509 CO -0.01 0.48 0.14 0.58 -1.65 0.00 0.00 177.43 176.97 3iur h VAL 510 N 0.87 1.16 -0.58 2.81 2.07 -1.26 0.59 116.25 121.91 3iur h VAL 510 Ca 0.37 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 3iur h VAL 510 Cb 0.30 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3iur h VAL 510 CO -0.14 0.17 0.01 -0.26 0.02 0.00 0.00 177.57 177.37 3iur h PHE 511 N 0.37 1.09 -0.62 1.57 0.04 -1.42 -1.86 116.94 116.11 3iur h PHE 511 Ca 0.11 -0.18 -0.09 0.00 2.80 0.00 0.00 57.97 60.61 3iur h PHE 511 Cb 0.14 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3iur h PHE 511 CO -0.01 0.97 0.03 -0.44 -0.60 0.00 0.00 178.31 178.25 3iur h ASP 512 N 0.93 1.03 -0.86 2.17 3.32 -0.78 -0.87 116.42 121.36 3iur h ASP 512 Ca 0.17 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3iur h ASP 512 Cb 0.53 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3iur h ASP 512 CO 0.03 1.06 0.57 0.44 -1.72 0.00 0.00 179.24 179.62 3iur h ASP 513 N 0.98 1.00 -0.33 6.45 3.32 -0.52 -1.11 116.42 126.20 3iur h ASP 513 Ca 0.18 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3iur h ASP 513 Cb 0.52 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3iur h ASP 513 CO 0.02 0.73 -0.18 0.15 -1.72 0.00 0.00 179.24 178.24 3iur h PHE 514 N 1.17 0.82 -0.88 4.55 3.57 -0.97 -2.18 116.94 123.03 3iur h PHE 514 Ca 0.32 -0.21 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3iur h PHE 514 Cb -0.12 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.39 3iur h PHE 514 CO -0.01 0.93 0.52 0.82 -2.23 0.00 0.00 178.31 178.33 3iur h ILE 515 N 0.48 1.25 0.00 1.41 2.04 -0.92 -1.41 117.51 120.36 3iur h ILE 515 Ca 0.07 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3iur h ILE 515 Cb 0.72 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3iur h ILE 515 CO 0.05 0.26 -0.26 0.00 0.00 0.00 0.00 178.15 178.21 3iur h ALA 516 N 1.28 1.54 -0.32 1.87 0.00 -1.05 -1.13 119.26 121.46 3iur h ALA 516 Ca 0.31 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3iur h ALA 516 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iur h ALA 516 CO -0.06 0.32 -0.29 0.00 0.00 0.00 0.00 179.25 179.23 3iur h ALA 517 N 1.74 0.46 -0.63 0.00 0.00 -0.63 -1.10 119.26 119.11 3iur h ALA 517 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3iur h ALA 517 Cb 0.46 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3iur h ALA 517 CO 0.03 0.48 0.34 0.00 0.00 0.00 0.00 179.25 180.10 3iur h ALA 518 N 0.73 0.81 -0.62 0.00 0.00 -0.79 -1.50 119.26 117.90 3iur h ALA 518 Ca 0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3iur h ALA 518 Cb 0.86 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3iur h ALA 518 CO 0.07 0.34 0.11 0.93 0.00 0.00 0.00 179.25 180.70 3iur h GLU 519 N 0.86 1.01 -0.43 0.00 4.39 -1.13 -2.70 114.58 116.57 3iur h GLU 519 Ca 0.22 -0.25 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3iur h GLU 519 Cb 0.06 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3iur h GLU 519 CO -0.03 0.92 0.21 -0.92 -1.16 0.00 0.00 179.01 178.03 3iur h TYR 520 N 0.95 0.62 -0.43 4.33 3.20 -0.79 0.11 116.97 124.97 3iur h TYR 520 Ca 0.19 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 3iur h TYR 520 Cb 0.40 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3iur h TYR 520 CO 0.03 0.50 0.24 -0.07 -1.64 0.00 0.00 178.16 177.22 3iur h LEU 521 N 0.56 0.51 0.02 2.82 3.38 -1.10 0.49 115.31 121.98 3iur h LEU 521 Ca 0.15 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iur h LEU 521 Cb 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3iur h LEU 521 CO -0.02 0.41 -0.01 0.11 0.09 0.00 0.00 178.44 179.02 3iur h LYS 522 N 0.58 -0.02 -0.98 1.13 1.57 -1.15 -1.54 116.57 116.16 3iur h LYS 522 Ca 0.15 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 59.07 3iur h LYS 522 Cb 0.00 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 3iur h LYS 522 CO -0.03 0.73 0.62 0.00 -0.57 0.00 0.00 179.45 180.21 3iur h ALA 523 N 0.03 1.61 0.00 3.86 0.00 -0.51 -0.76 119.26 123.49 3iur h ALA 523 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iur h ALA 523 Cb 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iur h ALA 523 CO 0.00 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3iur n GLU 524 N -4.63 0.97 -0.75 0.00 -0.58 0.14 -4.92 120.64 110.87 3iur n GLU 524 Ca 0.19 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 3iur n GLU 524 Cb 0.41 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3iur n GLU 524 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iur n GLY 525 N 0.97 0.73 0.24 0.62 0.00 -0.29 -4.93 105.19 102.52 3iur n GLY 525 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 3iur n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iur h TYR 526 N 0.00 1.06 -2.10 1.61 0.05 -1.50 0.62 116.97 116.72 3iur h TYR 526 Ca 0.00 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 3iur h TYR 526 Cb 0.00 -0.19 -0.00 0.00 1.01 0.00 0.00 36.73 37.55 3iur h TYR 526 CO 0.00 1.23 0.00 -2.37 -1.05 0.00 0.00 178.16 175.97 3iur n THR 527 N -3.98 0.00 -4.04 -2.88 5.66 -1.12 -2.47 114.28 105.45 3iur n THR 527 Ca -0.05 -0.09 -0.10 0.00 -3.05 0.00 0.00 64.05 60.76 3iur n THR 527 Cb 0.66 0.06 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 3iur n THR 527 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3iur s ARG 528 N -2.03 1.48 0.20 1.09 1.70 -1.01 -4.25 118.95 116.13 3iur s ARG 528 Ca 0.01 -1.34 -0.18 0.00 -0.47 0.00 0.00 55.73 53.75 3iur s ARG 528 Cb -0.00 0.43 0.17 0.00 -0.57 0.00 0.00 34.95 34.98 3iur s ARG 528 CO 0.01 -0.59 1.59 1.15 -1.08 0.00 0.00 175.30 176.38 3iur h THR 529 N 2.33 0.20 0.00 4.99 2.02 -1.90 0.05 112.91 120.60 3iur h THR 529 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3iur h THR 529 Cb 1.25 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3iur h THR 529 CO 0.39 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 175.38 3iur n ASP 530 N -5.45 0.00 -0.10 4.18 5.68 -1.26 -2.52 116.55 117.08 3iur n ASP 530 Ca 0.06 -1.09 0.02 0.00 -0.50 0.00 0.00 54.79 53.27 3iur n ASP 530 Cb 0.36 0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.37 3iur n ASP 530 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iur n ARG 531 N -0.85 2.86 -4.59 0.11 5.12 -0.04 -4.75 116.66 114.51 3iur n ARG 531 Ca 0.14 -1.67 -0.34 0.00 -1.93 0.00 0.00 57.85 54.06 3iur n ARG 531 Cb 0.06 -1.08 -0.12 0.00 -1.16 0.00 0.00 32.46 30.16 3iur n ARG 531 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iur s LEU 532 N -1.16 3.11 0.03 0.55 2.96 -0.93 -0.32 118.68 122.92 3iur s LEU 532 Ca 0.06 -0.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 3iur s LEU 532 Cb 0.04 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 3iur s LEU 532 CO 0.02 0.28 -0.18 0.00 -1.32 0.00 0.00 176.35 175.15 3iur s ALA 533 N -0.31 1.53 0.11 5.97 0.00 0.10 -0.61 121.76 128.56 3iur s ALA 533 Ca 0.04 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.16 3iur s ALA 533 Cb -0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3iur s ALA 533 CO 0.02 0.34 -0.18 0.96 0.00 0.00 0.00 175.76 176.91 3iur s ILE 534 N -0.72 2.87 0.02 0.00 -4.36 -0.39 -0.86 121.20 117.76 3iur s ILE 534 Ca 0.06 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 58.87 3iur s ILE 534 Cb -0.08 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.33 3iur s ILE 534 CO 0.01 0.12 0.25 -0.60 0.24 0.00 0.00 174.94 174.96 3iur s ARG 535 N -2.08 0.68 -0.27 0.37 3.52 0.20 -0.70 118.95 120.67 3iur s ARG 535 Ca 0.18 -0.44 -0.34 0.00 -0.13 0.00 0.00 55.73 55.00 3iur s ARG 535 Cb -0.11 0.29 0.17 0.00 -1.56 0.00 0.00 34.95 33.74 3iur s ARG 535 CO 0.10 -0.20 1.33 0.20 -0.81 0.00 0.00 175.30 175.92 3iur s GLY 536 N -1.75 -0.11 0.02 8.12 0.00 -1.17 -2.85 107.32 109.58 3iur s GLY 536 Ca -0.09 2.22 0.06 0.00 0.00 0.00 0.00 44.72 46.91 3iur s GLY 536 CO -0.00 0.81 -0.19 -0.32 0.00 0.00 0.00 173.10 173.39 3iur s GLY 537 N -1.64 1.01 0.00 0.20 0.00 -1.26 -1.06 107.32 104.57 3iur s GLY 537 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3iur s GLY 537 CO -0.05 -0.83 0.00 1.44 0.00 0.00 0.00 173.10 173.67 3iur n SER 538 N 2.22 0.00 0.21 1.64 7.64 0.00 -0.18 113.62 125.15 3iur n SER 538 Ca -0.16 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.77 3iur n SER 538 Cb 0.53 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 64.20 3iur n SER 538 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3iur h ASN 539 N 0.00 0.00 0.66 6.43 -0.73 -1.91 -0.94 115.58 119.09 3iur h ASN 539 Ca 0.00 0.00 -0.10 0.00 1.87 0.00 0.00 56.30 58.07 3iur h ASN 539 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 3iur h ASN 539 CO 0.00 0.27 -0.45 1.23 -0.37 0.00 0.00 177.43 178.11 3iur h GLY 540 N 0.94 0.00 1.30 1.57 0.00 -0.77 -1.25 103.07 104.86 3iur h GLY 540 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 3iur h GLY 540 CO 0.04 0.00 -0.61 -1.33 0.00 0.00 0.00 176.54 174.63 3iur h GLY 541 N 1.78 0.79 0.99 4.60 0.00 -1.21 -2.07 103.07 107.95 3iur h GLY 541 Ca -0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 3iur h GLY 541 CO 0.06 0.88 0.34 -2.00 0.00 0.00 0.00 176.54 175.81 3iur h LEU 542 N 0.54 0.71 -0.21 3.11 5.85 -0.99 0.25 115.31 124.57 3iur h LEU 542 Ca -0.00 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3iur h LEU 542 Cb 1.20 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 3iur h LEU 542 CO 0.12 0.58 -0.22 0.25 -0.34 0.00 0.00 178.44 178.83 3iur h LEU 543 N 0.78 -0.71 -0.28 2.25 5.85 -0.92 0.19 115.31 122.47 3iur h LEU 543 Ca 0.21 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 3iur h LEU 543 Cb 0.01 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3iur h LEU 543 CO -0.04 -0.26 0.14 0.58 -0.34 0.00 0.00 178.44 178.52 3iur h VAL 544 N -0.24 1.14 -0.91 1.05 2.07 -1.06 -0.80 116.25 117.50 3iur h VAL 544 Ca 0.13 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.28 3iur h VAL 544 Cb 0.44 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3iur h VAL 544 CO -0.35 0.14 0.60 1.23 0.02 0.00 0.00 177.57 179.21 3iur h GLY 545 N 0.32 1.30 0.68 2.17 0.00 -0.53 0.66 103.07 107.67 3iur h GLY 545 Ca 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3iur h GLY 545 CO -0.01 0.43 -0.13 0.00 0.00 0.00 0.00 176.54 176.83 3iur h ALA 546 N 1.45 0.16 -0.57 3.60 0.00 -0.40 -2.71 119.26 120.79 3iur h ALA 546 Ca 0.35 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3iur h ALA 546 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3iur h ALA 546 CO -0.09 0.03 -0.06 0.28 0.00 0.00 0.00 179.25 179.42 3iur h VAL 547 N -0.14 1.27 0.00 0.00 2.07 -0.92 -1.57 116.25 116.95 3iur h VAL 547 Ca 0.01 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3iur h VAL 547 Cb 0.68 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3iur h VAL 547 CO 0.03 0.43 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 3iur h MET 548 N 0.92 0.00 0.00 1.57 -0.00 -0.93 0.34 114.93 116.84 3iur h MET 548 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 59.70 59.64 3iur h MET 548 Cb 0.62 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.19 3iur h MET 548 CO 0.04 0.02 -1.55 0.25 -0.00 0.00 0.00 176.91 175.67 3iur n THR 549 N -3.12 1.31 0.05 -0.10 -2.24 -1.02 -2.74 114.28 106.42 3iur n THR 549 Ca 0.00 -0.73 -0.18 0.00 -2.27 0.00 0.00 64.05 60.88 3iur n THR 549 Cb 0.29 -0.81 -0.14 0.00 -2.10 0.00 0.00 70.33 67.57 3iur n THR 549 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3iur h GLN 550 N 0.00 0.26 -2.07 -0.78 4.20 -1.02 -3.41 115.11 112.29 3iur h GLN 550 Ca -0.21 -0.44 -0.55 0.00 0.06 0.00 0.00 58.65 57.50 3iur h GLN 550 Cb 1.74 0.16 -0.40 0.00 0.30 0.00 0.00 27.48 29.28 3iur h GLN 550 CO 0.05 1.11 -0.98 0.54 -0.67 0.00 0.00 178.83 178.89 3iur n ARG 551 N -3.45 1.38 0.18 1.46 5.12 0.12 -4.94 116.66 116.53 3iur n ARG 551 Ca -0.20 -3.71 0.12 0.00 -1.93 0.00 0.00 57.85 52.13 3iur n ARG 551 Cb 1.05 -1.63 0.63 0.00 -1.16 0.00 0.00 32.46 31.35 3iur n ARG 551 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3iur h PRO 552 N 3.73 0.00 -0.01 5.56 0.13 -1.67 -1.95 132.00 137.79 3iur h PRO 552 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3iur h PRO 552 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3iur h PRO 552 CO 0.58 0.00 -0.39 -0.40 -0.23 0.00 0.00 178.00 177.56 3iur n ASP 553 N -2.35 1.17 0.13 1.44 5.75 -1.26 -3.94 116.55 117.49 3iur n ASP 553 Ca -0.01 -0.95 -0.02 0.00 -0.01 0.00 0.00 54.79 53.80 3iur n ASP 553 Cb 0.07 0.28 0.18 0.00 -1.03 0.00 0.00 41.12 40.63 3iur n ASP 553 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 3iur h LEU 554 N 1.23 0.07 -8.50 -2.12 5.85 -1.73 -3.46 115.31 106.64 3iur h LEU 554 Ca 0.00 -0.04 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 3iur h LEU 554 Cb 0.56 -0.02 -0.15 0.00 0.37 0.00 0.00 40.66 41.42 3iur h LEU 554 CO 0.00 0.64 -0.71 0.00 -0.34 0.00 0.00 178.44 178.03 3iur s MET 555 N -3.72 0.90 -0.01 1.25 0.23 -1.26 -4.68 119.30 112.00 3iur s MET 555 Ca -0.02 -1.35 0.06 0.00 -1.03 0.00 0.00 55.69 53.35 3iur s MET 555 Cb 0.13 -0.37 -0.24 0.00 -1.53 0.00 0.00 34.83 32.82 3iur s MET 555 CO 0.77 0.02 0.78 -0.09 -2.03 0.00 0.00 175.02 174.47 3iur h ARG 556 N 2.99 0.08 -4.67 3.16 9.65 -0.56 -3.43 114.38 121.60 3iur h ARG 556 Ca -0.36 -0.14 -0.40 0.00 -1.10 0.00 0.00 59.98 57.98 3iur h ARG 556 Cb 1.18 0.05 -0.29 0.00 -1.39 0.00 0.00 29.97 29.52 3iur h ARG 556 CO 0.63 0.79 -0.78 0.08 2.80 0.00 0.00 179.97 183.49 3iur s VAL 557 N -2.62 0.71 -0.07 0.20 1.01 -1.02 -1.55 120.40 117.06 3iur s VAL 557 Ca -0.07 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.59 3iur s VAL 557 Cb 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3iur s VAL 557 CO 0.82 0.21 -0.20 0.00 0.00 0.00 0.00 175.10 175.93 3iur s ALA 558 N -0.10 1.81 -0.58 5.51 0.00 0.05 -1.26 121.76 127.19 3iur s ALA 558 Ca 0.02 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3iur s ALA 558 Cb -0.05 -0.66 0.20 0.00 0.00 0.00 0.00 23.12 22.61 3iur s ALA 558 CO -0.00 0.27 0.52 1.28 0.00 0.00 0.00 175.76 177.82 3iur n LEU 559 N 3.41 1.97 -4.62 0.00 4.77 0.12 -2.36 117.00 120.30 3iur n LEU 559 Ca -0.19 -4.99 -0.43 0.00 -0.03 0.00 0.00 56.01 50.37 3iur n LEU 559 Cb 0.52 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3iur n LEU 559 CO 0.26 1.89 0.79 -2.16 -1.33 0.00 0.00 177.39 176.84 3iur s PRO 560 N -1.29 3.95 -0.17 3.23 0.04 -1.25 -3.04 135.00 136.48 3iur s PRO 560 Ca 0.31 0.76 -0.06 0.00 0.04 0.00 0.00 61.00 62.05 3iur s PRO 560 Cb 0.05 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 3iur s PRO 560 CO -0.14 -0.86 0.05 0.00 0.04 0.00 0.00 177.00 176.09 3iur s ALA 561 N 3.41 3.37 -1.59 8.56 0.00 -0.23 -2.11 121.76 133.18 3iur s ALA 561 Ca 0.39 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3iur s ALA 561 Cb -0.13 -1.84 0.03 0.00 0.00 0.00 0.00 23.12 21.19 3iur s ALA 561 CO 0.16 0.24 0.11 0.28 0.00 0.00 0.00 175.76 176.56 3iur n VAL 562 N 3.33 -0.99 -2.45 0.00 0.31 0.44 -0.82 118.33 118.16 3iur n VAL 562 Ca -0.17 -0.43 -0.30 0.00 -0.01 0.00 0.00 64.34 63.43 3iur n VAL 562 Cb 0.52 -1.04 -0.01 0.00 -0.91 0.00 0.00 33.84 32.40 3iur n VAL 562 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3iur s GLY 563 N -4.23 1.76 -0.46 2.92 0.00 -1.26 -2.47 107.32 103.58 3iur s GLY 563 Ca 0.12 -0.20 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 3iur s GLY 563 CO 1.00 0.02 0.55 0.14 0.00 0.00 0.00 173.10 174.80 3iur s VAL 564 N -2.74 4.97 -0.00 1.40 1.01 -1.14 -4.36 120.40 119.53 3iur s VAL 564 Ca 0.52 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3iur s VAL 564 Cb -0.10 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 3iur s VAL 564 CO 0.41 -0.61 0.03 0.18 0.00 0.00 0.00 175.10 175.11 3iur n LEU 565 N 5.92 0.00 -4.29 3.92 4.77 -1.26 -3.93 117.00 122.13 3iur n LEU 565 Ca -0.06 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 3iur n LEU 565 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3iur n LEU 565 CO 0.51 0.00 0.20 -0.62 -1.33 0.00 0.00 177.39 176.15 3iur s ASP 566 N -2.27 6.24 0.00 -1.43 -1.08 -1.26 -1.61 116.67 115.26 3iur s ASP 566 Ca -0.01 -2.17 0.30 0.00 -0.52 0.00 0.00 52.55 50.15 3iur s ASP 566 Cb 0.01 -2.16 1.50 0.00 -1.46 0.00 0.00 42.92 40.81 3iur s ASP 566 CO 0.06 -0.71 2.04 0.23 0.52 0.00 0.00 175.17 177.31 3iur n MET 567 N 4.67 0.41 0.05 4.34 2.81 -1.26 -2.07 117.12 126.07 3iur n MET 567 Ca -0.03 -0.01 0.01 0.00 -1.81 0.00 0.00 57.70 55.87 3iur n MET 567 Cb 0.42 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.37 3iur n MET 567 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3iur h LEU 568 N 0.02 0.00 -1.86 4.03 4.07 -1.91 -3.39 115.31 116.26 3iur h LEU 568 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3iur h LEU 568 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3iur h LEU 568 CO 0.00 0.51 0.00 0.54 -1.08 0.00 0.00 178.44 178.41 3iur n ARG 569 N -2.91 1.18 -0.36 1.13 1.74 -1.21 -4.55 116.66 111.67 3iur n ARG 569 Ca -0.07 -0.93 0.03 0.00 -0.77 0.00 0.00 57.85 56.11 3iur n ARG 569 Cb 0.80 -0.87 0.18 0.00 -1.02 0.00 0.00 32.46 31.55 3iur n ARG 569 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 3iur h TYR 570 N 0.00 1.14 0.00 -1.55 -0.00 -1.62 -2.05 116.97 112.89 3iur h TYR 570 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.75 3iur h TYR 570 Cb 0.46 -0.37 -0.00 0.00 0.00 0.00 0.00 36.73 36.82 3iur h TYR 570 CO 0.00 0.56 -0.06 1.12 -0.00 0.00 0.00 178.16 179.77 3iur h HIS 571 N 1.09 0.00 0.00 0.10 2.07 -1.86 -2.42 115.15 114.13 3iur h HIS 571 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3iur h HIS 571 Cb 0.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.23 3iur h HIS 571 CO -0.01 0.06 -0.07 0.25 -3.07 0.00 0.00 177.93 175.10 3iur n THR 572 N -3.26 0.27 -2.35 6.12 -2.24 -0.77 -3.93 114.28 108.11 3iur n THR 572 Ca -0.01 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 3iur n THR 572 Cb 0.27 -0.47 0.11 0.00 -2.10 0.00 0.00 70.33 68.15 3iur n THR 572 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iur s PHE 573 N -3.05 1.98 0.10 4.78 0.08 -0.91 -5.00 117.98 115.96 3iur s PHE 573 Ca 0.12 0.04 -0.31 0.00 0.12 0.00 0.00 56.93 56.90 3iur s PHE 573 Cb 0.16 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.23 3iur s PHE 573 CO 0.58 -1.80 1.69 0.99 -0.10 0.00 0.00 175.22 176.58 3iur s THR 574 N -3.31 2.82 0.00 0.64 2.01 -1.26 -2.45 115.64 114.09 3iur s THR 574 Ca 0.66 0.35 0.00 0.00 0.31 0.00 0.00 61.69 63.01 3iur s THR 574 Cb -0.07 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3iur s THR 574 CO 0.46 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.39 3iur n ALA 575 N 5.37 0.00 -0.15 7.40 0.00 -1.26 -4.63 120.51 127.24 3iur n ALA 575 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 3iur n ALA 575 Cb 0.39 -0.09 0.30 0.00 0.00 0.00 0.00 19.45 20.05 3iur n ALA 575 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3iur h GLY 576 N 0.00 0.91 0.39 0.00 0.00 -1.66 -2.87 103.07 99.84 3iur h GLY 576 Ca 0.00 -0.34 0.23 0.00 0.00 0.00 0.00 47.33 47.22 3iur h GLY 576 CO 0.00 0.34 0.58 -0.91 0.00 0.00 0.00 176.54 176.55 3iur h THR 577 N 0.88 0.59 0.00 4.70 1.35 -1.77 -1.07 112.91 117.59 3iur h THR 577 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 3iur h THR 577 Cb -0.09 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 3iur h THR 577 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3iur n GLY 578 N -1.69 -1.35 0.77 5.82 0.00 -1.08 -2.96 105.19 104.69 3iur n GLY 578 Ca 0.16 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.36 3iur n GLY 578 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iur n TRP 579 N -2.18 0.00 -0.20 1.61 8.01 -0.40 -4.46 117.44 119.81 3iur n TRP 579 Ca 0.03 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.36 3iur n TRP 579 Cb 0.27 -0.00 0.46 0.00 -2.01 0.00 0.00 31.31 30.02 3iur n TRP 579 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3iur h ALA 580 N 4.55 2.01 -0.81 6.99 0.00 -1.64 -1.78 119.26 128.57 3iur h ALA 580 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3iur h ALA 580 Cb 0.81 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3iur h ALA 580 CO 0.00 -0.23 0.44 -0.92 0.00 0.00 0.00 179.25 178.54 3iur h TYR 581 N 0.52 1.13 0.15 0.00 3.20 -1.85 0.11 116.97 120.23 3iur h TYR 581 Ca 0.40 -0.03 -0.29 0.00 3.14 0.00 0.00 58.73 61.95 3iur h TYR 581 Cb 0.80 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 38.72 3iur h TYR 581 CO -0.00 0.79 -1.33 -0.44 -1.64 0.00 0.00 178.16 175.54 3iur h ASP 582 N 1.14 0.50 0.00 -2.11 3.32 -1.72 -3.42 116.42 114.12 3iur h ASP 582 Ca 0.29 -0.55 -0.38 0.00 0.02 0.00 0.00 57.03 56.41 3iur h ASP 582 Cb 0.04 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 39.36 3iur h ASP 582 CO -0.04 1.44 -2.43 -1.22 -1.72 0.00 0.00 179.24 175.26 3iur n TYR 583 N -3.55 0.00 0.00 4.55 4.01 -0.73 0.61 117.16 122.04 3iur n TYR 583 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 3iur n TYR 583 Cb 1.04 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 3iur n TYR 583 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3iur n GLY 584 N 2.24 -0.83 3.33 2.72 0.00 0.38 -4.25 105.19 108.78 3iur n GLY 584 Ca -0.43 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 3iur n GLY 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iur s THR 585 N -2.38 1.68 -1.12 2.61 -4.23 -1.26 -4.84 115.64 106.10 3iur s THR 585 Ca 0.00 -2.12 0.07 0.00 -1.18 0.00 0.00 61.69 58.46 3iur s THR 585 Cb 0.00 -1.96 0.08 0.00 1.34 0.00 0.00 72.50 71.96 3iur s THR 585 CO 0.00 -0.56 1.19 -1.54 -0.54 0.00 0.00 174.62 173.17 3iur n SER 586 N -0.20 0.00 0.01 3.99 3.41 -1.26 -1.59 113.62 117.98 3iur n SER 586 Ca -0.09 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 3iur n SER 586 Cb 0.60 -0.44 0.04 0.00 -0.26 0.00 0.00 64.21 64.15 3iur n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iur n ALA 587 N -1.44 3.73 -0.12 7.33 0.00 -1.26 -4.47 120.51 124.28 3iur n ALA 587 Ca 0.02 -0.44 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 3iur n ALA 587 Cb 0.08 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.56 3iur n ALA 587 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3iur h ASP 588 N 0.00 0.44 -5.62 0.00 3.32 -1.70 -3.48 116.42 109.38 3iur h ASP 588 Ca 0.00 -0.03 0.36 0.00 0.02 0.00 0.00 57.03 57.38 3iur h ASP 588 Cb 0.63 -0.11 -0.14 0.00 0.22 0.00 0.00 39.33 39.92 3iur h ASP 588 CO 0.00 0.34 0.93 -0.94 -1.72 0.00 0.00 179.24 177.85 3iur s SER 589 N -5.57 -0.03 0.22 6.45 1.04 -1.26 -4.97 113.70 109.59 3iur s SER 589 Ca -0.13 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.19 3iur s SER 589 Cb 0.10 0.06 0.20 0.00 0.10 0.00 0.00 66.02 66.48 3iur s SER 589 CO 0.72 -0.11 1.79 -0.08 0.98 0.00 0.00 173.24 176.54 3iur h GLU 590 N 2.00 1.16 -0.37 4.02 4.81 -1.92 -0.08 114.58 124.19 3iur h GLU 590 Ca -0.28 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3iur h GLU 590 Cb 1.19 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3iur h GLU 590 CO 0.28 0.94 0.19 0.00 -0.73 0.00 0.00 179.01 179.69 3iur h ALA 591 N 1.20 0.47 -0.55 2.92 0.00 -1.98 0.11 119.26 121.42 3iur h ALA 591 Ca 0.26 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3iur h ALA 591 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iur h ALA 591 CO -0.02 0.01 0.05 1.98 0.00 0.00 0.00 179.25 181.26 3iur h MET 592 N 0.46 0.95 -0.12 0.00 1.85 -1.81 -1.30 114.93 114.96 3iur h MET 592 Ca 0.13 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.94 3iur h MET 592 Cb 0.08 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3iur h MET 592 CO -0.02 0.93 0.07 0.35 -0.40 0.00 0.00 176.91 177.84 3iur h PHE 593 N 0.83 0.15 -0.70 1.39 3.57 -0.77 -0.40 116.94 121.02 3iur h PHE 593 Ca 0.16 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3iur h PHE 593 Cb 0.48 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3iur h PHE 593 CO 0.04 0.15 0.43 -0.44 -2.23 0.00 0.00 178.31 176.26 3iur h ASP 594 N 0.11 0.82 -0.14 0.41 3.32 -0.63 -0.75 116.42 119.57 3iur h ASP 594 Ca 0.04 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3iur h ASP 594 Cb 0.04 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3iur h ASP 594 CO -0.01 0.62 -0.10 0.22 -1.72 0.00 0.00 179.24 178.25 3iur h TYR 595 N 0.96 0.37 -0.69 4.55 3.20 -0.91 -1.94 116.97 122.50 3iur h TYR 595 Ca 0.25 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3iur h TYR 595 Cb -0.06 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3iur h TYR 595 CO 0.00 0.68 0.42 -0.07 -1.64 0.00 0.00 178.16 177.55 3iur h LEU 596 N -0.04 0.83 -1.31 2.82 3.38 -0.81 -2.26 115.31 117.92 3iur h LEU 596 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3iur h LEU 596 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3iur h LEU 596 CO 0.03 0.65 -0.34 0.50 0.09 0.00 0.00 178.44 179.36 3iur h LYS 597 N 0.95 0.00 -0.02 1.13 3.64 -1.14 0.13 116.57 121.25 3iur h LYS 597 Ca 0.25 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3iur h LYS 597 Cb -0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3iur h LYS 597 CO -0.05 0.34 -0.09 0.78 -2.27 0.00 0.00 179.45 178.17 3iur h GLY 598 N 1.12 0.03 0.00 5.01 0.00 -0.73 -3.30 103.07 105.20 3iur h GLY 598 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3iur h GLY 598 CO 0.04 0.02 -0.25 1.58 0.00 0.00 0.00 176.54 177.93 3iur n TYR 599 N -4.41 0.00 -1.72 5.60 0.18 -1.06 -4.99 117.16 110.75 3iur n TYR 599 Ca -0.02 0.00 -0.63 0.00 1.88 0.00 0.00 57.90 59.13 3iur n TYR 599 Cb 0.18 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.05 3iur n TYR 599 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3iur n SER 600 N -1.07 1.73 -0.17 9.48 2.88 0.43 -4.72 113.62 122.19 3iur n SER 600 Ca 0.00 1.14 -0.05 0.00 -1.33 0.00 0.00 58.87 58.62 3iur n SER 600 Cb 0.00 -1.00 0.04 0.00 -0.75 0.00 0.00 64.21 62.50 3iur n SER 600 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3iur h PRO 601 N 5.96 0.55 -0.81 -1.46 0.11 -1.82 -2.39 132.00 132.14 3iur h PRO 601 Ca -0.45 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.73 3iur h PRO 601 Cb 1.35 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3iur h PRO 601 CO 0.96 0.36 0.44 1.25 -0.21 0.00 0.00 178.00 180.81 3iur h LEU 602 N 0.56 0.60 -0.78 2.35 5.85 -1.62 -1.52 115.31 120.75 3iur h LEU 602 Ca 0.21 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3iur h LEU 602 Cb 0.06 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3iur h LEU 602 CO -0.11 0.32 0.00 1.41 -0.34 0.00 0.00 178.44 179.72 3iur n HIS 603 N -4.80 0.15 -0.09 1.25 8.25 -1.01 -3.80 115.22 115.16 3iur n HIS 603 Ca 0.14 -0.07 0.01 0.00 -0.26 0.00 0.00 57.72 57.54 3iur n HIS 603 Cb 0.32 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.45 3iur n HIS 603 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3iur n ASN 604 N -0.01 2.08 -4.73 0.41 3.02 -0.58 -4.97 115.26 110.47 3iur n ASN 604 Ca 0.15 -2.08 -0.41 0.00 -0.03 0.00 0.00 54.58 52.21 3iur n ASN 604 Cb 0.25 -0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3iur n ASN 604 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iur s VAL 605 N -1.15 4.39 0.02 2.41 1.01 -1.15 -4.89 120.40 121.05 3iur s VAL 605 Ca 0.04 2.01 0.06 0.00 0.00 0.00 0.00 61.98 64.08 3iur s VAL 605 Cb 0.03 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3iur s VAL 605 CO 0.01 0.32 -0.18 -0.13 0.00 0.00 0.00 175.10 175.12 3iur s ARG 606 N -0.09 1.27 0.32 2.72 0.52 -1.26 -5.07 118.95 117.35 3iur s ARG 606 Ca 0.47 -0.76 -0.29 0.00 -0.52 0.00 0.00 55.73 54.63 3iur s ARG 606 Cb -0.24 -1.29 -0.10 0.00 0.52 0.00 0.00 34.95 33.83 3iur s ARG 606 CO 0.31 0.34 1.34 -2.14 0.02 0.00 0.00 175.30 175.16 3iur s PRO 607 N -0.85 4.33 0.00 3.54 0.02 -1.26 -2.91 135.00 137.87 3iur s PRO 607 Ca 0.06 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.32 3iur s PRO 607 Cb -0.08 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3iur s PRO 607 CO 0.01 -0.25 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 3iur n GLY 608 N 1.04 1.27 3.82 0.52 0.00 -0.99 -5.02 105.19 105.84 3iur n GLY 608 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3iur n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iur s VAL 609 N -2.46 4.51 -0.41 1.61 1.01 -1.14 -4.64 120.40 118.88 3iur s VAL 609 Ca 0.00 1.29 -0.15 0.00 0.00 0.00 0.00 61.98 63.12 3iur s VAL 609 Cb 0.00 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.69 3iur s VAL 609 CO 0.00 -0.08 0.30 -0.55 0.00 0.00 0.00 175.10 174.77 3iur s SER 610 N -2.01 6.07 0.41 3.32 0.15 -1.26 -1.37 113.70 118.99 3iur s SER 610 Ca 0.53 -0.97 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 3iur s SER 610 Cb -0.13 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 3iur s SER 610 CO 0.18 -0.47 0.67 -0.31 1.20 0.00 0.00 173.24 174.51 3iur s TYR 611 N 1.66 3.53 1.08 3.44 2.02 -1.26 -4.69 117.35 123.12 3iur s TYR 611 Ca 0.05 0.63 -0.15 0.00 -0.37 0.00 0.00 57.07 57.22 3iur s TYR 611 Cb -0.20 -2.13 0.23 0.00 -0.40 0.00 0.00 41.96 39.46 3iur s TYR 611 CO 0.09 -0.07 1.09 -1.25 -1.57 0.00 0.00 175.55 173.85 3iur s PRO 612 N -4.41 -0.22 0.16 -1.71 0.04 -1.25 -4.54 135.00 123.06 3iur s PRO 612 Ca 0.44 0.32 -0.31 0.00 0.04 0.00 0.00 61.00 61.50 3iur s PRO 612 Cb -0.10 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.67 3iur s PRO 612 CO 0.39 -3.13 1.43 -1.12 0.04 0.00 0.00 177.00 174.62 3iur s SER 613 N -3.55 6.74 -0.02 6.66 0.01 -0.59 -4.77 113.70 118.17 3iur s SER 613 Ca 0.67 2.47 0.04 0.00 1.31 0.00 0.00 55.95 60.44 3iur s SER 613 Cb -0.16 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.46 3iur s SER 613 CO 0.57 -0.69 -0.15 -0.89 0.41 0.00 0.00 173.24 172.50 3iur s THR 614 N 0.81 1.19 -0.35 1.44 2.01 -0.15 -0.77 115.64 119.81 3iur s THR 614 Ca 0.64 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 62.04 3iur s THR 614 Cb -0.39 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.22 3iur s THR 614 CO 0.34 0.34 0.10 -0.32 -0.69 0.00 0.00 174.62 174.39 3iur s MET 615 N -0.17 1.20 0.04 4.92 -2.45 -0.99 -0.51 119.30 121.34 3iur s MET 615 Ca 0.02 -1.63 -0.28 0.00 -1.25 0.00 0.00 55.69 52.54 3iur s MET 615 Cb -0.08 -2.67 -0.04 0.00 1.25 0.00 0.00 34.83 33.29 3iur s MET 615 CO 0.00 -0.99 0.91 0.08 1.05 0.00 0.00 175.02 176.07 3iur s VAL 616 N 1.04 4.74 0.05 10.11 1.01 0.53 -3.88 120.40 133.99 3iur s VAL 616 Ca 0.12 1.92 0.08 0.00 0.00 0.00 0.00 61.98 64.09 3iur s VAL 616 Cb -0.19 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3iur s VAL 616 CO -0.13 0.26 -0.22 0.42 0.00 0.00 0.00 175.10 175.43 3iur s THR 617 N 0.47 1.74 -0.10 3.92 -4.23 -0.90 0.04 115.64 116.59 3iur s THR 617 Ca 0.46 -1.24 -0.32 0.00 -1.18 0.00 0.00 61.69 59.41 3iur s THR 617 Cb -0.21 -1.51 0.12 0.00 1.34 0.00 0.00 72.50 72.24 3iur s THR 617 CO 0.27 0.22 1.07 0.28 -0.54 0.00 0.00 174.62 175.92 3iur s THR 618 N -0.81 0.00 0.48 3.99 -1.32 -1.01 -0.42 115.64 116.55 3iur s THR 618 Ca 0.08 -0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.48 3iur s THR 618 Cb -0.09 -1.04 -0.04 0.00 -1.51 0.00 0.00 72.50 69.82 3iur s THR 618 CO 0.02 0.00 0.81 0.00 -2.21 0.00 0.00 174.62 173.24 3iur s ALA 619 N -2.73 3.36 0.20 11.08 0.00 -1.26 -0.03 121.76 132.37 3iur s ALA 619 Ca 0.08 -0.41 0.32 0.00 0.00 0.00 0.00 51.96 51.96 3iur s ALA 619 Cb -0.01 -2.66 1.40 0.00 0.00 0.00 0.00 23.12 21.85 3iur s ALA 619 CO -0.06 -0.32 2.00 0.38 0.00 0.00 0.00 175.76 177.76 3iur h ASP 620 N 0.37 0.00 -3.58 0.00 2.03 -1.18 -3.43 116.42 110.62 3iur h ASP 620 Ca -0.47 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.63 3iur h ASP 620 Cb 1.20 0.00 -0.29 0.00 -0.83 0.00 0.00 39.33 39.41 3iur h ASP 620 CO 0.62 0.05 -0.53 -1.00 -1.03 0.00 0.00 179.24 177.36 3iur s HIS 621 N -3.77 -0.22 -0.27 4.15 3.76 -1.26 -4.85 115.29 112.83 3iur s HIS 621 Ca -0.00 0.56 -0.14 0.00 -0.15 0.00 0.00 55.06 55.32 3iur s HIS 621 Cb 0.10 0.02 0.08 0.00 1.11 0.00 0.00 32.58 33.89 3iur s HIS 621 CO 0.55 -0.15 0.66 1.21 -0.85 0.00 0.00 174.74 176.16 3iur s ASN 622 N 0.69 -0.92 0.03 1.40 3.84 -1.26 -4.98 114.94 113.74 3iur s ASN 622 Ca -0.05 1.46 0.02 0.00 0.21 0.00 0.00 52.86 54.51 3iur s ASN 622 Cb -0.06 1.45 -0.25 0.00 -0.55 0.00 0.00 41.25 41.83 3iur s ASN 622 CO -0.04 -0.23 0.96 0.44 -2.79 0.00 0.00 177.10 175.44 3iur h ASP 623 N 7.15 0.22 0.43 -4.21 3.32 -1.99 -3.26 116.42 118.09 3iur h ASP 623 Ca -0.29 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 56.45 3iur h ASP 623 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3iur h ASP 623 CO 0.16 1.24 -0.21 -0.09 -1.72 0.00 0.00 179.24 178.63 3iur h ARG 624 N 0.04 -0.56 -4.13 3.56 2.43 -1.97 -3.38 114.38 110.36 3iur h ARG 624 Ca -0.18 0.04 -0.61 0.00 -0.81 0.00 0.00 59.98 58.42 3iur h ARG 624 Cb 1.94 0.13 -0.39 0.00 -0.42 0.00 0.00 29.97 31.23 3iur h ARG 624 CO 0.14 -0.31 -0.76 0.08 -1.51 0.00 0.00 179.97 177.62 3iur s VAL 625 N -3.78 1.46 0.37 0.20 1.01 -1.26 -4.67 120.40 113.74 3iur s VAL 625 Ca -0.11 -1.56 -0.28 0.00 0.00 0.00 0.00 61.98 60.03 3iur s VAL 625 Cb 0.01 -1.96 -0.11 0.00 0.00 0.00 0.00 36.38 34.32 3iur s VAL 625 CO 0.34 -0.44 1.47 0.68 0.00 0.00 0.00 175.10 177.15 3iur s VAL 626 N 1.36 2.11 0.62 2.92 -7.23 -1.23 -4.64 120.40 114.32 3iur s VAL 626 Ca 0.04 0.11 0.31 0.00 -1.81 0.00 0.00 61.98 60.64 3iur s VAL 626 Cb -0.18 -3.07 0.36 0.00 0.56 0.00 0.00 36.38 34.05 3iur s VAL 626 CO -0.13 0.03 2.06 -0.65 -0.31 0.00 0.00 175.10 176.09 3iur h PRO 627 N 3.06 0.00 -0.93 4.82 0.11 -1.83 -2.82 132.00 134.41 3iur h PRO 627 Ca -0.51 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.88 3iur h PRO 627 Cb 1.24 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.19 3iur h PRO 627 CO 0.64 0.00 0.28 0.00 -0.21 0.00 0.00 178.00 178.72 3iur h ALA 628 N 1.64 1.45 0.56 -0.75 0.00 -1.84 0.12 119.26 120.45 3iur h ALA 628 Ca 0.07 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3iur h ALA 628 Cb 0.57 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 3iur h ALA 628 CO -0.00 -0.55 -0.47 0.45 0.00 0.00 0.00 179.25 178.68 3iur h HIS 629 N 0.18 -1.29 -0.68 0.00 3.86 -1.78 -1.25 115.15 114.18 3iur h HIS 629 Ca 0.62 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.83 3iur h HIS 629 Cb 1.33 0.49 -0.03 0.00 1.06 0.00 0.00 27.41 30.25 3iur h HIS 629 CO -0.24 -0.66 0.41 0.77 0.86 0.00 0.00 177.93 179.08 3iur h SER 630 N -1.02 0.81 0.09 2.45 0.02 -1.40 -1.65 113.55 112.85 3iur h SER 630 Ca -0.07 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3iur h SER 630 Cb 0.87 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3iur h SER 630 CO -0.01 0.63 -0.13 -0.26 -1.14 0.00 0.00 176.83 175.92 3iur h PHE 631 N 0.92 -0.32 -0.38 3.45 0.04 -0.69 0.41 116.94 120.37 3iur h PHE 631 Ca 0.24 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.93 3iur h PHE 631 Cb -0.04 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3iur h PHE 631 CO -0.02 -0.19 -0.13 0.87 -0.60 0.00 0.00 178.31 178.25 3iur h LYS 632 N -0.26 0.67 -0.25 1.51 1.57 -1.16 -1.34 116.57 117.32 3iur h LYS 632 Ca 0.02 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 3iur h LYS 632 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3iur h LYS 632 CO -0.06 0.78 -0.07 0.35 -0.57 0.00 0.00 179.45 179.88 3iur h PHE 633 N 0.61 0.55 -0.62 -1.35 3.57 -1.05 -1.56 116.94 117.08 3iur h PHE 633 Ca 0.11 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3iur h PHE 633 Cb 0.57 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 3iur h PHE 633 CO 0.03 0.71 0.25 0.00 -2.23 0.00 0.00 178.31 177.06 3iur h ALA 634 N 0.76 0.81 -0.72 2.41 0.00 -0.80 -0.90 119.26 120.81 3iur h ALA 634 Ca 0.06 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3iur h ALA 634 Cb 0.54 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3iur h ALA 634 CO 0.03 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.17 3iur h ALA 635 N 1.10 0.93 -0.41 0.00 0.00 -1.16 -0.96 119.26 118.76 3iur h ALA 635 Ca 0.21 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3iur h ALA 635 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iur h ALA 635 CO -0.02 0.30 -0.30 1.15 0.00 0.00 0.00 179.25 180.38 3iur h THR 636 N 0.94 1.27 -0.43 0.00 2.02 -0.92 -1.67 112.91 114.12 3iur h THR 636 Ca 0.28 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 3iur h THR 636 Cb -0.06 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3iur h THR 636 CO -0.08 0.49 0.12 -0.07 0.37 0.00 0.00 175.52 176.35 3iur h LEU 637 N 0.75 0.64 -1.29 2.58 3.38 -0.90 -0.10 115.31 120.38 3iur h LEU 637 Ca 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3iur h LEU 637 Cb 0.86 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3iur h LEU 637 CO 0.08 0.69 0.08 1.56 0.09 0.00 0.00 178.44 180.94 3iur h GLN 638 N 0.56 0.56 0.09 1.13 4.20 -1.06 0.14 115.11 120.75 3iur h GLN 638 Ca 0.14 -0.10 -0.26 0.00 0.06 0.00 0.00 58.65 58.49 3iur h GLN 638 Cb 0.29 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.98 3iur h GLN 638 CO -0.00 0.53 -1.16 0.00 -0.67 0.00 0.00 178.83 177.53 3iur h ALA 639 N 1.54 0.17 0.03 3.87 0.00 -1.05 -3.39 119.26 120.43 3iur h ALA 639 Ca 0.13 -0.82 -0.33 0.00 0.00 0.00 0.00 54.91 53.88 3iur h ALA 639 Cb 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3iur h ALA 639 CO -0.00 0.90 -1.97 -0.25 0.00 0.00 0.00 179.25 177.93 3iur n ASP 640 N -3.62 1.11 -4.69 0.00 9.92 -0.07 -4.95 116.55 114.24 3iur n ASP 640 Ca -0.08 0.25 -0.44 0.00 -0.53 0.00 0.00 54.79 53.98 3iur n ASP 640 Cb 0.96 -0.09 -0.04 0.00 -0.64 0.00 0.00 41.12 41.31 3iur n ASP 640 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3iur n ASN 641 N -3.11 3.55 -0.18 -2.24 5.15 0.48 -2.35 115.26 116.55 3iur n ASN 641 Ca -0.26 1.06 0.04 0.00 -0.60 0.00 0.00 54.58 54.83 3iur n ASN 641 Cb 1.07 -1.49 -0.00 0.00 -0.53 0.00 0.00 39.78 38.82 3iur n ASN 641 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iur n ALA 642 N 3.93 2.75 -2.22 5.20 0.00 -0.47 -4.87 120.51 124.83 3iur n ALA 642 Ca 0.17 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 3iur n ALA 642 Cb 0.32 -0.29 0.15 0.00 0.00 0.00 0.00 19.45 19.63 3iur n ALA 642 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iur n GLY 643 N 0.83 -0.42 0.05 0.00 0.00 -1.25 -4.95 105.19 99.46 3iur n GLY 643 Ca 0.03 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.31 3iur n GLY 643 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iur n PRO 644 N -3.17 0.10 -2.80 1.61 -0.04 -1.26 -4.89 135.00 124.56 3iur n PRO 644 Ca 0.15 0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 63.39 3iur n PRO 644 Cb 0.54 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.30 3iur n PRO 644 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iur s HIS 645 N -3.08 3.96 0.31 0.54 3.76 -1.26 -5.02 115.29 114.50 3iur s HIS 645 Ca 0.10 1.85 -0.29 0.00 -0.15 0.00 0.00 55.06 56.58 3iur s HIS 645 Cb 0.14 -2.93 -0.10 0.00 1.11 0.00 0.00 32.58 30.80 3iur s HIS 645 CO 0.48 0.46 1.19 -1.25 -0.85 0.00 0.00 174.74 174.76 3iur s PRO 646 N -1.23 4.47 -0.43 8.40 0.04 -1.26 -4.84 135.00 140.15 3iur s PRO 646 Ca 0.40 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.44 3iur s PRO 646 Cb -0.25 -3.09 0.12 0.00 0.04 0.00 0.00 34.50 31.32 3iur s PRO 646 CO 0.30 -0.00 0.18 -0.65 0.04 0.00 0.00 177.00 176.87 3iur s GLN 647 N -1.68 1.84 0.28 4.56 -1.52 -1.26 -0.98 119.66 120.90 3iur s GLN 647 Ca 0.48 -2.12 0.09 0.00 -1.95 0.00 0.00 55.36 51.85 3iur s GLN 647 Cb -0.35 -3.38 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 3iur s GLN 647 CO 0.46 -1.04 0.05 -0.51 -0.25 0.00 0.00 175.29 174.00 3iur s LEU 648 N 0.55 3.29 -0.04 2.90 1.43 0.34 -4.75 118.68 122.41 3iur s LEU 648 Ca 0.13 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3iur s LEU 648 Cb -0.22 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3iur s LEU 648 CO -0.05 -0.06 -0.11 -0.51 0.23 0.00 0.00 176.35 175.85 3iur s ILE 649 N -2.32 0.99 -0.28 -0.59 2.07 -1.26 -0.35 121.20 119.46 3iur s ILE 649 Ca 0.33 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 59.10 3iur s ILE 649 Cb -0.06 -0.88 0.05 0.00 0.13 0.00 0.00 42.46 41.70 3iur s ILE 649 CO 0.21 0.30 -0.04 -0.60 -1.91 0.00 0.00 174.94 172.91 3iur s ARG 650 N 0.22 2.45 -0.34 3.50 3.52 0.11 -4.50 118.95 123.91 3iur s ARG 650 Ca -0.05 -1.24 -0.12 0.00 -0.13 0.00 0.00 55.73 54.20 3iur s ARG 650 Cb -0.10 -3.08 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3iur s ARG 650 CO 0.01 -0.57 0.21 0.42 -0.81 0.00 0.00 175.30 174.56 3iur s ILE 651 N 1.23 4.92 0.08 4.11 1.09 -1.26 -2.39 121.20 128.98 3iur s ILE 651 Ca -0.05 -0.44 -0.31 0.00 -1.10 0.00 0.00 60.65 58.75 3iur s ILE 651 Cb -0.19 -3.58 -0.06 0.00 -1.06 0.00 0.00 42.46 37.57 3iur s ILE 651 CO -0.03 -0.05 1.20 -1.61 -0.10 0.00 0.00 174.94 174.35 3iur s GLU 652 N 1.65 4.44 -0.13 2.79 0.41 0.95 -4.79 118.70 124.03 3iur s GLU 652 Ca 0.05 1.78 0.17 0.00 -0.41 0.00 0.00 54.97 56.56 3iur s GLU 652 Cb -0.18 -3.33 0.28 0.00 -1.78 0.00 0.00 34.13 29.13 3iur s GLU 652 CO 0.08 -0.23 1.15 0.25 -0.49 0.00 0.00 175.26 176.02 3iur n THR 653 N 3.70 1.77 -1.07 3.63 -2.24 -1.26 -0.64 114.28 118.17 3iur n THR 653 Ca 0.08 -2.20 0.09 0.00 -2.27 0.00 0.00 64.05 59.75 3iur n THR 653 Cb 0.46 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 3iur n THR 653 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3iur n PRO 662 N -1.29 -1.29 0.26 -0.78 -0.02 -1.26 -4.98 135.00 125.64 3iur n PRO 662 Ca 0.15 0.85 0.13 0.00 -2.02 0.00 0.00 63.50 62.61 3iur n PRO 662 Cb 0.65 -1.57 0.71 0.00 -0.02 0.00 0.00 33.50 33.28 3iur n PRO 662 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3iur h VAL 663 N -0.59 0.53 -0.58 -1.45 -1.51 -2.05 -2.16 116.25 108.44 3iur h VAL 663 Ca 0.01 -0.57 0.06 0.00 -1.23 0.00 0.00 66.70 64.97 3iur h VAL 663 Cb 0.58 1.38 -0.05 0.00 -2.13 0.00 0.00 31.29 31.07 3iur h VAL 663 CO 0.00 0.12 0.29 0.00 -1.23 0.00 0.00 177.57 176.76 3iur h ALA 664 N 1.88 0.75 -0.19 5.19 0.00 -2.04 0.18 119.26 125.03 3iur h ALA 664 Ca -0.00 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3iur h ALA 664 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3iur h ALA 664 CO 0.02 -0.05 -0.45 0.87 0.00 0.00 0.00 179.25 179.63 3iur h LYS 665 N 0.55 0.47 -0.62 0.00 1.57 -1.83 -2.14 116.57 114.56 3iur h LYS 665 Ca 0.26 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3iur h LYS 665 Cb 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3iur h LYS 665 CO -0.18 0.83 0.10 -0.07 -0.57 0.00 0.00 179.45 179.55 3iur h LEU 666 N 0.38 0.97 -0.39 2.94 3.38 -1.06 0.02 115.31 121.54 3iur h LEU 666 Ca 0.03 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3iur h LEU 666 Cb 0.94 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3iur h LEU 666 CO 0.08 0.97 -0.06 0.40 0.09 0.00 0.00 178.44 179.92 3iur h ILE 667 N 0.95 1.27 -0.69 1.22 2.04 -0.53 -1.46 117.51 120.32 3iur h ILE 667 Ca 0.19 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.88 3iur h ILE 667 Cb 0.41 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 3iur h ILE 667 CO 0.01 0.37 0.21 -0.08 0.00 0.00 0.00 178.15 178.67 3iur h GLU 668 N 0.54 1.06 -0.07 2.37 4.57 -1.16 -0.94 114.58 120.95 3iur h GLU 668 Ca 0.10 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 3iur h GLU 668 Cb 0.56 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3iur h GLU 668 CO 0.03 0.91 0.02 1.96 -1.18 0.00 0.00 179.01 180.75 3iur h GLN 669 N 1.02 0.11 -0.72 1.92 1.08 -0.80 -1.45 115.11 116.28 3iur h GLN 669 Ca 0.22 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.35 3iur h GLN 669 Cb 0.29 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3iur h GLN 669 CO -0.01 0.30 0.26 0.77 -0.95 0.00 0.00 178.83 179.21 3iur h SER 670 N -0.10 1.01 -0.48 1.46 0.02 -1.12 -2.23 113.55 112.11 3iur h SER 670 Ca 0.02 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3iur h SER 670 Cb 0.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3iur h SER 670 CO 0.00 0.93 0.20 0.00 -1.14 0.00 0.00 176.83 176.82 3iur h ALA 671 N 1.13 0.62 -0.64 3.77 0.00 -1.09 -1.87 119.26 121.17 3iur h ALA 671 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iur h ALA 671 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3iur h ALA 671 CO -0.01 0.22 0.36 -0.44 0.00 0.00 0.00 179.25 179.37 3iur h ASP 672 N 0.63 0.79 -0.27 0.00 3.32 -1.11 -0.84 116.42 118.95 3iur h ASP 672 Ca 0.16 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 3iur h ASP 672 Cb 0.18 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3iur h ASP 672 CO -0.01 0.65 0.02 0.40 -1.72 0.00 0.00 179.24 178.57 3iur h ILE 673 N 0.87 1.25 -0.37 0.35 2.04 -1.24 0.11 117.51 120.52 3iur h ILE 673 Ca 0.23 -0.86 -0.15 0.00 1.00 0.00 0.00 64.86 65.07 3iur h ILE 673 Cb 0.02 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3iur h ILE 673 CO -0.04 0.27 -0.37 1.88 0.00 0.00 0.00 178.15 179.89 3iur h TYR 674 N 0.25 1.05 -0.10 1.37 0.05 -1.29 -0.37 116.97 117.94 3iur h TYR 674 Ca 0.08 -0.31 -0.01 0.00 0.05 0.00 0.00 58.73 58.54 3iur h TYR 674 Cb 0.38 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 3iur h TYR 674 CO 0.03 1.12 0.04 0.00 -1.05 0.00 0.00 178.16 178.29 3iur h ALA 675 N 0.84 0.13 -0.33 3.88 0.00 -1.12 -1.43 119.26 121.24 3iur h ALA 675 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iur h ALA 675 Cb 0.95 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3iur h ALA 675 CO 0.09 -0.26 0.14 0.35 0.00 0.00 0.00 179.25 179.57 3iur h PHE 676 N -0.01 0.26 -0.19 0.00 3.57 -0.93 -0.49 116.94 119.15 3iur h PHE 676 Ca 0.03 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3iur h PHE 676 Cb 0.20 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3iur h PHE 676 CO -0.01 0.13 0.04 1.15 -2.23 0.00 0.00 178.31 177.39 3iur h THR 677 N 0.30 0.92 -0.55 4.41 2.02 -0.86 -0.59 112.91 118.56 3iur h THR 677 Ca 0.14 -0.04 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 3iur h THR 677 Cb 0.08 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3iur h THR 677 CO -0.12 0.02 -0.07 -0.07 0.37 0.00 0.00 175.52 175.65 3iur h LEU 678 N 0.12 0.99 -0.46 2.58 3.38 -1.07 -2.46 115.31 118.39 3iur h LEU 678 Ca 0.08 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 3iur h LEU 678 Cb 0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3iur h LEU 678 CO -0.11 1.08 0.15 0.22 0.09 0.00 0.00 178.44 179.88 3iur h TYR 679 N 0.90 0.74 0.00 1.13 3.20 -0.82 -1.94 116.97 120.17 3iur h TYR 679 Ca 0.15 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3iur h TYR 679 Cb 0.62 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3iur h TYR 679 CO 0.04 0.65 -0.07 0.93 -1.64 0.00 0.00 178.16 178.07 3iur h GLU 680 N 0.61 0.00 -0.00 1.82 4.39 -1.02 0.03 114.58 120.41 3iur h GLU 680 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3iur h GLU 680 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3iur h GLU 680 CO -0.01 0.07 -0.08 -1.33 -1.16 0.00 0.00 179.01 176.51 3iur n MET 681 N -3.31 0.74 -0.34 2.33 2.81 -0.78 -4.93 117.12 113.65 3iur n MET 681 Ca -0.01 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3iur n MET 681 Cb 0.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3iur n MET 681 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iur n GLY 682 N 1.24 0.79 3.73 3.03 0.00 -0.00 -4.98 105.19 109.00 3iur n GLY 682 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3iur n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iur s TYR 683 N -2.17 3.34 -0.12 1.61 2.02 -0.91 -4.91 117.35 116.21 3iur s TYR 683 Ca 0.00 1.27 0.20 0.00 -0.37 0.00 0.00 57.07 58.17 3iur s TYR 683 Cb 0.00 -3.53 -0.21 0.00 -0.40 0.00 0.00 41.96 37.82 3iur s TYR 683 CO 0.00 -1.63 0.58 0.54 -1.57 0.00 0.00 175.55 173.47 3iur n ARG 684 N 2.87 0.65 -4.09 -0.62 1.74 -1.26 -4.64 116.66 111.32 3iur n ARG 684 Ca 0.06 0.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.08 3iur n ARG 684 Cb 0.44 -1.65 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 3iur n ARG 684 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iur s GLU 685 N -3.10 0.60 0.52 5.56 0.41 -1.26 -4.86 118.70 116.56 3iur s GLU 685 Ca -0.06 -1.18 -0.21 0.00 -0.41 0.00 0.00 54.97 53.11 3iur s GLU 685 Cb 0.10 0.19 -0.07 0.00 -1.78 0.00 0.00 34.13 32.57 3iur s GLU 685 CO 0.85 -0.10 1.02 1.28 -0.49 0.00 0.00 175.26 177.81 3iur n LEU 686 N 0.21 3.36 -0.14 1.80 4.77 -1.26 -4.85 117.00 120.89 3iur n LEU 686 Ca -0.15 0.92 0.08 0.00 -0.03 0.00 0.00 56.01 56.84 3iur n LEU 686 Cb 0.61 -1.39 0.41 0.00 -2.33 0.00 0.00 43.42 40.71 3iur n LEU 686 CO 0.28 -1.58 1.20 -0.65 -1.33 0.00 0.00 177.39 175.31 3iur h PRO 687 N 1.05 0.61 -3.72 3.23 0.11 -1.96 -3.41 132.00 127.91 3iur h PRO 687 Ca -0.47 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 65.39 3iur h PRO 687 Cb 1.35 -0.14 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 3iur h PRO 687 CO 0.54 0.40 -0.69 0.50 -0.21 0.00 0.00 178.00 178.54 3iur s ARG 688 N -5.57 0.08 -0.43 1.05 3.52 -0.38 -4.93 118.95 112.29 3iur s ARG 688 Ca -0.09 -0.09 -0.26 0.00 -0.13 0.00 0.00 55.73 55.17 3iur s ARG 688 Cb 0.19 0.03 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 3iur s ARG 688 CO 0.76 -0.01 0.92 -0.65 -0.81 0.00 0.00 175.30 175.51 3iur s GLN 689 N -0.27 3.63 0.00 5.12 -1.52 -1.26 -4.58 119.66 120.78 3iur s GLN 689 Ca -0.03 0.29 0.20 0.00 -1.95 0.00 0.00 55.36 53.87 3iur s GLN 689 Cb -0.02 -3.89 1.18 0.00 -0.22 0.00 0.00 33.01 30.07 3iur s GLN 689 CO -0.00 -1.13 1.57 -0.35 -0.25 0.00 0.00 175.29 175.13