#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ium s HIS 8 N 0.00 1.43 0.63 1.47 3.76 -1.26 -5.14 115.29 116.18 3ium s HIS 8 Ca 0.00 -0.63 -0.15 0.00 -0.15 0.00 0.00 55.06 54.13 3ium s HIS 8 Cb 0.00 -1.14 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 3ium s HIS 8 CO 0.00 -0.41 1.07 0.71 -0.85 0.00 0.00 174.74 175.27 3ium s TYR 9 N 1.28 2.88 0.20 1.40 2.02 -1.26 -5.05 117.35 118.82 3ium s TYR 9 Ca -0.03 1.51 -0.03 0.00 -0.37 0.00 0.00 57.07 58.15 3ium s TYR 9 Cb -0.14 -3.04 0.05 0.00 -0.40 0.00 0.00 41.96 38.43 3ium s TYR 9 CO -0.03 -1.31 0.11 -2.30 -1.57 0.00 0.00 175.55 170.44 3ium n PRO 10 N -2.31 -1.47 -2.75 -1.71 -0.02 -1.26 -4.88 135.00 120.60 3ium n PRO 10 Ca 0.09 -0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 3ium n PRO 10 Cb 0.53 -0.27 -0.03 0.00 -0.02 0.00 0.00 33.50 33.71 3ium n PRO 10 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3ium s VAL 11 N -0.98 4.31 -0.95 -1.45 1.01 -1.26 -4.93 120.40 116.15 3ium s VAL 11 Ca 0.08 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3ium s VAL 11 Cb -0.01 -4.89 0.23 0.00 0.00 0.00 0.00 36.38 31.71 3ium s VAL 11 CO 0.07 -1.69 0.86 -0.89 0.00 0.00 0.00 175.10 173.45 3ium s THR 12 N 3.92 4.78 0.67 3.92 2.01 -1.26 -5.05 115.64 124.63 3ium s THR 12 Ca 0.37 -3.74 -0.16 0.00 0.31 0.00 0.00 61.69 58.47 3ium s THR 12 Cb -0.04 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.54 3ium s THR 12 CO -0.06 -1.11 1.21 0.00 -0.69 0.00 0.00 174.62 173.97 3ium s ARG 13 N -1.31 2.50 -0.24 4.92 1.70 -1.26 -5.01 118.95 120.26 3ium s ARG 13 Ca 0.28 1.78 -0.09 0.00 -0.47 0.00 0.00 55.73 57.24 3ium s ARG 13 Cb -0.08 -1.87 -0.04 0.00 -0.57 0.00 0.00 34.95 32.39 3ium s ARG 13 CO -0.11 -1.56 0.11 -0.65 -1.08 0.00 0.00 175.30 172.00 3ium s GLN 14 N -3.69 3.86 0.00 3.89 -0.21 -1.26 -4.82 119.66 117.42 3ium s GLN 14 Ca 0.76 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.75 3ium s GLN 14 Cb -0.30 -3.40 0.00 0.00 1.00 0.00 0.00 33.01 30.32 3ium s GLN 14 CO 0.41 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.95 3ium n GLY 15 N 4.51 1.00 0.00 3.09 0.00 0.68 -5.01 105.19 109.45 3ium n GLY 15 Ca -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3ium n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ium n GLU 16 N 0.00 0.00 -1.20 1.61 1.02 -1.26 -4.68 120.64 116.13 3ium n GLU 16 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3ium n GLU 16 Cb 0.00 -0.06 -0.06 0.00 -0.02 0.00 0.00 31.44 31.30 3ium n GLU 16 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 3ium n GLN 17 N 0.00 0.04 -3.01 3.49 -0.06 -1.24 -4.57 117.38 112.03 3ium n GLN 17 Ca 0.00 -0.31 -0.37 0.00 -2.00 0.00 0.00 57.00 54.33 3ium n GLN 17 Cb 0.21 -1.58 -0.06 0.00 -4.06 0.00 0.00 30.24 24.74 3ium n GLN 17 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3ium s VAL 18 N 3.41 4.46 -0.02 1.69 1.01 -1.26 -2.19 120.40 127.49 3ium s VAL 18 Ca 0.40 1.48 0.04 0.00 0.00 0.00 0.00 61.98 63.90 3ium s VAL 18 Cb -0.16 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3ium s VAL 18 CO 0.13 0.26 -0.15 -1.81 0.00 0.00 0.00 175.10 173.53 3ium s ASP 19 N -1.54 1.81 -0.08 3.32 1.01 -0.70 -4.93 116.67 115.55 3ium s ASP 19 Ca 0.43 -0.28 -0.04 0.00 0.71 0.00 0.00 52.55 53.37 3ium s ASP 19 Cb -0.18 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.44 3ium s ASP 19 CO 0.23 0.17 0.07 -1.00 0.21 0.00 0.00 175.17 174.85 3ium s HIS 20 N -0.26 3.35 -0.21 4.23 3.76 -1.26 -2.23 115.29 122.67 3ium s HIS 20 Ca 0.04 0.33 -0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3ium s HIS 20 Cb -0.07 -1.84 0.07 0.00 1.11 0.00 0.00 32.58 31.86 3ium s HIS 20 CO -0.00 0.59 0.11 0.71 -0.85 0.00 0.00 174.74 175.30 3ium s TYR 21 N -1.00 0.21 -1.09 1.40 2.02 -0.44 -4.86 117.35 113.59 3ium s TYR 21 Ca 0.16 -0.47 -0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3ium s TYR 21 Cb -0.12 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 3ium s TYR 21 CO 0.05 -0.62 0.91 1.19 -1.57 0.00 0.00 175.55 175.52 3ium n PHE 22 N 5.27 -2.05 0.00 2.71 3.72 -1.26 -2.10 117.46 123.75 3ium n PHE 22 Ca -0.07 0.84 0.00 0.00 -0.05 0.00 0.00 57.45 58.18 3ium n PHE 22 Cb 0.47 -4.70 0.00 0.00 -0.94 0.00 0.00 39.48 34.31 3ium n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ium n GLY 23 N -1.25 1.91 3.74 1.37 0.00 -1.26 -4.96 105.19 104.74 3ium n GLY 23 Ca -0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3ium n GLY 23 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ium s GLN 24 N 0.00 4.70 -0.27 1.61 -0.21 -0.89 -5.04 119.66 119.57 3ium s GLN 24 Ca 0.00 1.38 -0.10 0.00 0.02 0.00 0.00 55.36 56.66 3ium s GLN 24 Cb 0.00 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.63 3ium s GLN 24 CO 0.00 0.35 0.16 0.00 -2.12 0.00 0.00 175.29 173.68 3ium s ALA 25 N -0.47 3.49 -0.14 6.09 0.00 -1.26 -1.33 121.76 128.13 3ium s ALA 25 Ca 0.43 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3ium s ALA 25 Cb -0.24 -2.38 0.04 0.00 0.00 0.00 0.00 23.12 20.54 3ium s ALA 25 CO 0.29 -0.46 -0.04 0.08 0.00 0.00 0.00 175.76 175.63 3ium s VAL 26 N 1.58 0.92 0.52 0.00 1.01 -0.95 -5.04 120.40 118.46 3ium s VAL 26 Ca 0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 3ium s VAL 26 Cb -0.15 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3ium s VAL 26 CO 0.09 0.19 1.02 0.00 0.00 0.00 0.00 175.10 176.39 3ium s ALA 27 N 1.73 2.91 -0.49 5.51 0.00 -1.26 -1.73 121.76 128.43 3ium s ALA 27 Ca 0.02 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.43 3ium s ALA 27 Cb -0.14 -3.19 0.22 0.00 0.00 0.00 0.00 23.12 20.00 3ium s ALA 27 CO -0.07 -0.40 0.52 -3.47 0.00 0.00 0.00 175.76 172.33 3ium n ASP 28 N -1.46 1.09 0.30 0.00 2.03 -0.93 -4.89 116.55 112.69 3ium n ASP 28 Ca 0.08 -2.83 0.18 0.00 0.52 0.00 0.00 54.79 52.74 3ium n ASP 28 Cb 0.53 -0.64 0.93 0.00 -0.72 0.00 0.00 41.12 41.23 3ium n ASP 28 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3ium h PRO 29 N 4.62 0.00 -2.28 -0.67 0.13 -1.83 -3.21 132.00 128.76 3ium h PRO 29 Ca 0.16 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.67 3ium h PRO 29 Cb 0.83 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.55 3ium h PRO 29 CO 0.55 0.00 -0.43 0.66 -0.23 0.00 0.00 178.00 178.55 3ium n TYR 30 N -3.12 3.65 -0.01 1.56 4.01 -1.26 0.25 117.16 122.24 3ium n TYR 30 Ca -0.01 -3.92 -0.19 0.00 -0.16 0.00 0.00 57.90 53.62 3ium n TYR 30 Cb 0.30 -0.62 -0.14 0.00 -0.31 0.00 0.00 39.34 38.57 3ium n TYR 30 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3ium h ARG 31 N 3.88 0.18 -1.02 -0.72 9.65 -1.92 -3.36 114.38 121.07 3ium h ARG 31 Ca 0.19 -0.31 0.28 0.00 -1.10 0.00 0.00 59.98 59.04 3ium h ARG 31 Cb 0.59 0.12 -0.13 0.00 -1.39 0.00 0.00 29.97 29.16 3ium h ARG 31 CO 0.89 1.15 0.61 0.11 2.80 0.00 0.00 179.97 185.52 3ium h TRP 32 N -0.57 0.92 -0.02 2.20 5.08 -1.91 0.34 115.95 122.00 3ium h TRP 32 Ca -0.18 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.83 3ium h TRP 32 Cb 1.49 -0.26 -0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3ium h TRP 32 CO 0.18 -0.03 0.09 -0.07 -1.28 0.00 0.00 178.44 177.34 3ium h LEU 33 N 0.45 0.00 0.00 0.11 3.38 -1.97 -2.22 115.31 115.06 3ium h LEU 33 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 3ium h LEU 33 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3ium h LEU 33 CO -0.49 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.42 3ium n GLU 34 N -3.17 0.05 -4.89 1.13 1.02 0.12 -4.45 120.64 110.45 3ium n GLU 34 Ca -0.02 0.07 -0.27 0.00 -0.02 0.00 0.00 57.16 56.92 3ium n GLU 34 Cb 0.16 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.92 3ium n GLU 34 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3ium s ASP 35 N -2.15 2.30 -0.66 1.62 -1.08 -0.84 -4.84 116.67 111.03 3ium s ASP 35 Ca 0.02 -0.38 0.01 0.00 -0.52 0.00 0.00 52.55 51.68 3ium s ASP 35 Cb 0.01 -0.72 0.38 0.00 -1.46 0.00 0.00 42.92 41.13 3ium s ASP 35 CO 0.02 0.15 1.58 -0.90 0.52 0.00 0.00 175.17 176.54 3ium n ASP 36 N 3.22 6.16 0.00 -0.34 5.75 -1.26 -4.42 116.55 125.66 3ium n ASP 36 Ca -0.19 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 50.82 3ium n ASP 36 Cb 0.53 -0.78 0.00 0.00 -1.03 0.00 0.00 41.12 39.84 3ium n ASP 36 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ium n ARG 37 N -0.50 0.00 -1.68 0.11 5.12 -1.26 -4.90 116.66 113.55 3ium n ARG 37 Ca 0.46 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.89 3ium n ARG 37 Cb 0.43 -0.32 -0.05 0.00 -1.16 0.00 0.00 32.46 31.37 3ium n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3ium n SER 38 N -1.12 3.25 0.03 0.55 3.41 -1.26 -4.68 113.62 113.80 3ium n SER 38 Ca 0.00 1.00 0.20 0.00 -0.26 0.00 0.00 58.87 59.81 3ium n SER 38 Cb 0.00 -1.35 0.49 0.00 -0.26 0.00 0.00 64.21 63.10 3ium n SER 38 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3ium h PRO 39 N 8.52 0.00 0.00 4.33 0.11 -1.97 0.67 132.00 143.66 3ium h PRO 39 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 3ium h PRO 39 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3ium h PRO 39 CO 0.94 0.00 -0.26 1.49 -0.21 0.00 0.00 178.00 179.96 3ium h GLU 40 N 0.00 0.00 0.00 1.05 4.81 -1.98 -2.73 114.58 115.73 3ium h GLU 40 Ca 0.27 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.35 3ium h GLU 40 Cb 1.99 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 3ium h GLU 40 CO -0.00 0.16 -1.00 1.15 -0.73 0.00 0.00 179.01 178.59 3ium h THR 41 N 0.00 0.58 0.00 0.32 2.02 0.01 -3.16 112.91 112.68 3ium h THR 41 Ca -0.01 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.41 3ium h THR 41 Cb 1.14 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.97 3ium h THR 41 CO 0.02 0.20 -0.00 -0.33 0.37 0.00 0.00 175.52 175.78 3ium h GLU 42 N -1.00 0.00 0.00 6.66 5.08 -1.44 0.44 114.58 124.32 3ium h GLU 42 Ca -0.23 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 57.91 3ium h GLU 42 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 3ium h GLU 42 CO -0.14 0.00 -1.22 0.00 -1.00 0.00 0.00 179.01 176.65 3ium h ALA 43 N 2.00 0.57 0.14 3.43 0.00 -1.64 -3.19 119.26 120.57 3ium h ALA 43 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 54.91 53.88 3ium h ALA 43 Cb 0.04 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ium h ALA 43 CO 0.00 1.24 -0.07 2.35 0.00 0.00 0.00 179.25 182.77 3ium h TRP 44 N 0.00 -0.17 -0.25 0.00 7.01 -0.15 -1.97 115.95 120.41 3ium h TRP 44 Ca -0.12 -0.00 0.06 0.00 2.11 0.00 0.00 58.89 60.93 3ium h TRP 44 Cb 1.78 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 28.82 3ium h TRP 44 CO 0.00 0.03 -0.38 0.28 -2.79 0.00 0.00 178.44 175.59 3ium h VAL 45 N -0.36 0.19 -0.92 2.65 2.07 -1.25 0.35 116.25 118.98 3ium h VAL 45 Ca -0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.66 3ium h VAL 45 Cb 0.29 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 3ium h VAL 45 CO 0.03 0.00 0.52 0.50 0.02 0.00 0.00 177.57 178.64 3ium h LYS 46 N -0.38 0.69 -0.40 1.57 3.64 -1.52 0.13 116.57 120.31 3ium h LYS 46 Ca 0.12 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3ium h LYS 46 Cb 0.58 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3ium h LYS 46 CO -0.46 0.46 -0.21 0.00 -2.27 0.00 0.00 179.45 176.97 3ium h ALA 47 N 1.59 0.56 -0.35 5.00 0.00 -0.19 -2.54 119.26 123.33 3ium h ALA 47 Ca 0.51 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3ium h ALA 47 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ium h ALA 47 CO -0.36 0.53 -0.20 1.96 0.00 0.00 0.00 179.25 181.18 3ium h GLN 48 N 0.65 0.75 -0.38 0.00 1.08 0.80 -2.95 115.11 115.06 3ium h GLN 48 Ca 0.09 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 56.90 3ium h GLN 48 Cb 0.77 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 3ium h GLN 48 CO 0.06 0.96 0.05 -0.91 -0.95 0.00 0.00 178.83 178.04 3ium h ASN 49 N 0.53 0.54 -0.52 1.46 -0.26 -0.81 -1.45 115.58 115.07 3ium h ASN 49 Ca 0.07 -0.09 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3ium h ASN 49 Cb 0.75 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.84 3ium h ASN 49 CO 0.06 0.57 0.19 0.00 -1.06 0.00 0.00 177.43 177.19 3ium h ALA 50 N 1.50 1.27 -0.20 -0.83 0.00 -1.35 0.40 119.26 120.05 3ium h ALA 50 Ca 0.12 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 3ium h ALA 50 Cb 0.28 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ium h ALA 50 CO 0.00 0.53 -0.69 0.28 0.00 0.00 0.00 179.25 179.37 3ium h VAL 51 N 0.82 1.28 0.33 0.00 2.07 -1.22 -1.84 116.25 117.69 3ium h VAL 51 Ca 0.19 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 3ium h VAL 51 Cb 0.22 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3ium h VAL 51 CO -0.01 0.60 -0.16 0.74 0.02 0.00 0.00 177.57 178.76 3ium h THR 52 N 0.57 0.62 -0.63 2.57 2.02 -0.91 -0.74 112.91 116.41 3ium h THR 52 Ca -0.03 -0.61 0.08 0.00 0.77 0.00 0.00 66.41 66.63 3ium h THR 52 Cb 1.30 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 3ium h THR 52 CO 0.14 0.11 0.42 1.56 0.37 0.00 0.00 175.52 178.12 3ium h GLN 53 N -0.82 0.52 -0.50 6.66 1.08 -1.02 0.10 115.11 121.14 3ium h GLN 53 Ca -0.05 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 3ium h GLN 53 Cb 0.52 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 3ium h GLN 53 CO 0.08 0.34 -0.10 0.22 -0.95 0.00 0.00 178.83 178.42 3ium h ASP 54 N 0.53 0.91 -0.06 1.46 3.58 -1.21 -0.18 116.42 121.45 3ium h ASP 54 Ca 0.29 -0.28 -0.19 0.00 0.42 0.00 0.00 57.03 57.27 3ium h ASP 54 Cb 0.42 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 3ium h ASP 54 CO -0.09 1.02 -0.63 0.22 -2.88 0.00 0.00 179.24 176.89 3ium h TYR 55 N 0.82 0.87 -0.03 0.28 3.20 0.60 -3.19 116.97 119.51 3ium h TYR 55 Ca 0.13 -0.34 -0.15 0.00 3.14 0.00 0.00 58.73 61.52 3ium h TYR 55 Cb 0.63 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3ium h TYR 55 CO 0.04 1.12 -0.66 -0.07 -1.64 0.00 0.00 178.16 176.95 3ium h LEU 56 N 0.49 0.15 -0.76 2.82 3.38 -0.74 -2.72 115.31 117.93 3ium h LEU 56 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ium h LEU 56 Cb 1.22 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3ium h LEU 56 CO 0.12 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3ium n ALA 57 N -2.45 1.21 0.14 1.53 0.00 -0.09 -0.93 120.51 119.92 3ium n ALA 57 Ca -0.02 0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3ium n ALA 57 Cb 0.65 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.94 3ium n ALA 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3ium h GLN 58 N 0.00 0.00 -6.16 0.00 4.15 -1.56 -3.45 115.11 108.10 3ium h GLN 58 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.85 3ium h GLN 58 Cb 0.10 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3ium h GLN 58 CO 0.00 0.53 0.85 0.42 -1.93 0.00 0.00 178.83 178.70 3ium s ILE 59 N -3.07 4.36 0.22 2.39 1.01 -0.11 -4.95 121.20 121.05 3ium s ILE 59 Ca 0.03 1.65 -0.09 0.00 0.00 0.00 0.00 60.65 62.24 3ium s ILE 59 Cb 0.09 -4.06 0.19 0.00 0.01 0.00 0.00 42.46 38.69 3ium s ILE 59 CO 0.74 -0.13 1.90 -0.65 0.00 0.00 0.00 174.94 176.80 3ium h PRO 60 N 7.96 1.10 -0.68 2.79 0.11 -1.87 -3.24 132.00 138.17 3ium h PRO 60 Ca -0.26 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3ium h PRO 60 Cb 1.10 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3ium h PRO 60 CO 0.96 0.73 0.00 2.48 -0.21 0.00 0.00 178.00 181.96 3ium n TYR 61 N -4.51 1.37 -0.13 0.65 0.18 -1.26 -4.55 117.16 108.91 3ium n TYR 61 Ca 0.09 -0.58 -0.09 0.00 1.88 0.00 0.00 57.90 59.20 3ium n TYR 61 Cb 0.02 -0.18 -0.00 0.00 -0.38 0.00 0.00 39.34 38.79 3ium n TYR 61 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3ium h ARG 62 N 4.17 0.56 -0.63 -3.48 2.43 -1.92 -1.94 114.38 113.58 3ium h ARG 62 Ca 0.00 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ium h ARG 62 Cb 1.34 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 3ium h ARG 62 CO 0.17 0.47 0.37 0.00 -1.51 0.00 0.00 179.97 179.48 3ium h ALA 63 N 1.06 0.80 -0.85 2.80 0.00 -1.84 -0.77 119.26 120.46 3ium h ALA 63 Ca 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ium h ALA 63 Cb 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3ium h ALA 63 CO -0.02 0.29 0.51 0.00 0.00 0.00 0.00 179.25 180.02 3ium h ALA 64 N 1.19 1.30 -0.46 0.00 0.00 -1.81 -0.08 119.26 119.40 3ium h ALA 64 Ca 0.23 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3ium h ALA 64 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3ium h ALA 64 CO -0.04 0.60 -0.02 0.82 0.00 0.00 0.00 179.25 180.61 3ium h ILE 65 N 1.17 1.26 -0.20 0.00 2.04 -0.75 -2.71 117.51 118.32 3ium h ILE 65 Ca 0.30 -1.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3ium h ILE 65 Cb -0.05 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3ium h ILE 65 CO -0.06 0.38 0.12 0.50 0.00 0.00 0.00 178.15 179.09 3ium h LYS 66 N 0.67 0.27 -0.46 2.37 3.64 -0.46 -2.21 116.57 120.39 3ium h LYS 66 Ca 0.13 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 3ium h LYS 66 Cb 0.53 -0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.22 3ium h LYS 66 CO 0.03 0.22 0.04 0.93 -2.27 0.00 0.00 179.45 178.39 3ium h GLU 67 N 0.24 0.15 -0.73 1.90 5.08 -0.94 0.40 114.58 120.68 3ium h GLU 67 Ca 0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.36 3ium h GLU 67 Cb 0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3ium h GLU 67 CO -0.01 0.10 0.21 0.87 -1.00 0.00 0.00 179.01 179.17 3ium h LYS 68 N 0.15 1.16 -0.33 2.33 1.57 -1.32 -1.26 116.57 118.87 3ium h LYS 68 Ca 0.23 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3ium h LYS 68 Cb 0.33 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3ium h LYS 68 CO -0.35 1.00 0.13 -0.07 -0.57 0.00 0.00 179.45 179.58 3ium h LEU 69 N 1.10 0.46 -1.01 2.94 3.38 -0.72 -2.68 115.31 118.78 3ium h LEU 69 Ca 0.23 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3ium h LEU 69 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ium h LEU 69 CO -0.00 0.50 0.06 0.00 0.09 0.00 0.00 178.44 179.09 3ium h ALA 70 N 0.97 1.19 0.00 1.53 0.00 -0.77 0.32 119.26 122.50 3ium h ALA 70 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ium h ALA 70 Cb 0.19 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ium h ALA 70 CO -0.01 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3ium h ALA 71 N 1.33 1.00 -0.00 0.00 0.00 -1.12 -3.27 119.26 117.19 3ium h ALA 71 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ium h ALA 71 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ium h ALA 71 CO 0.01 0.00 -0.04 -1.13 0.00 0.00 0.00 179.25 178.09 3ium n SER 72 N -2.65 1.15 -0.28 0.00 3.41 -1.02 -4.73 113.62 109.49 3ium n SER 72 Ca 0.03 -1.07 -0.03 0.00 -0.26 0.00 0.00 58.87 57.55 3ium n SER 72 Cb 0.39 0.21 0.14 0.00 -0.26 0.00 0.00 64.21 64.69 3ium n SER 72 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3ium h TRP 73 N 0.74 1.13 -4.14 7.33 2.91 -0.99 -3.44 115.95 119.49 3ium h TRP 73 Ca 0.00 -0.02 -0.66 0.00 1.13 0.00 0.00 58.89 59.34 3ium h TRP 73 Cb 0.18 -0.36 -0.31 0.00 -0.51 0.00 0.00 29.16 28.16 3ium h TRP 73 CO 0.00 0.78 -0.88 -0.80 -1.03 0.00 0.00 178.44 176.51 3ium s ASN 74 N -6.31 2.85 0.04 2.65 0.02 -1.26 -4.99 114.94 107.94 3ium s ASN 74 Ca -0.12 -0.47 -0.15 0.00 -1.02 0.00 0.00 52.86 51.11 3ium s ASN 74 Cb 0.17 -0.66 0.02 0.00 0.02 0.00 0.00 41.25 40.81 3ium s ASN 74 CO 0.81 0.24 0.33 -0.72 0.02 0.00 0.00 177.10 177.79 3ium s TYR 75 N -0.24 -0.15 0.82 2.20 -0.85 -1.26 -5.00 117.35 112.87 3ium s TYR 75 Ca -0.00 0.06 -0.13 0.00 -0.52 0.00 0.00 57.07 56.48 3ium s TYR 75 Cb -0.12 0.12 0.07 0.00 0.38 0.00 0.00 41.96 42.41 3ium s TYR 75 CO 0.02 -0.51 1.04 0.00 -1.52 0.00 0.00 175.55 174.58 3ium n ALA 76 N 0.63 -0.53 -2.77 9.51 0.00 -1.22 -4.08 120.51 122.04 3ium n ALA 76 Ca -0.19 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 3ium n ALA 76 Cb 0.59 -2.15 -0.09 0.00 0.00 0.00 0.00 19.45 17.80 3ium n ALA 76 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ium s LYS 77 N -3.96 0.59 -0.02 0.00 1.02 0.82 -4.38 119.74 113.81 3ium s LYS 77 Ca 0.70 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.96 3ium s LYS 77 Cb -0.28 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 3ium s LYS 77 CO 0.54 -0.15 0.07 -2.00 -0.92 0.00 0.00 175.35 172.89 3ium s GLU 78 N -2.50 0.14 0.54 1.68 2.12 -1.26 -1.37 118.70 118.05 3ium s GLU 78 Ca -0.06 -0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.32 3ium s GLU 78 Cb -0.02 0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.49 3ium s GLU 78 CO -0.04 -0.02 0.74 0.20 -0.54 0.00 0.00 175.26 175.59 3ium s GLY 79 N -0.24 1.83 0.42 -1.50 0.00 0.22 -4.98 107.32 103.07 3ium s GLY 79 Ca -0.03 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.67 3ium s GLY 79 CO 0.00 -1.44 1.11 0.00 0.00 0.00 0.00 173.10 172.78 3ium s ALA 80 N -2.63 3.05 0.50 3.20 0.00 -1.26 -4.57 121.76 120.04 3ium s ALA 80 Ca 0.59 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.21 3ium s ALA 80 Cb -0.08 -3.33 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3ium s ALA 80 CO 0.37 -0.44 0.99 -1.25 0.00 0.00 0.00 175.76 175.43 3ium s PRO 81 N -2.55 3.95 -0.12 0.00 0.04 -1.26 -4.60 135.00 130.46 3ium s PRO 81 Ca 0.60 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.64 3ium s PRO 81 Cb -0.26 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.19 3ium s PRO 81 CO 0.32 -0.27 0.28 -0.59 0.04 0.00 0.00 177.00 176.78 3ium s PHE 82 N -2.43 -0.38 0.12 0.56 -0.71 0.60 -4.93 117.98 110.82 3ium s PHE 82 Ca 0.61 0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 57.07 3ium s PHE 82 Cb -0.11 0.09 -0.06 0.00 -1.21 0.00 0.00 43.02 41.73 3ium s PHE 82 CO 0.26 -0.24 0.95 0.50 -1.34 0.00 0.00 175.22 175.34 3ium s ARG 83 N 1.18 4.70 -0.17 1.99 3.52 -1.26 -0.40 118.95 128.51 3ium s ARG 83 Ca -0.08 1.43 -0.04 0.00 -0.13 0.00 0.00 55.73 56.91 3ium s ARG 83 Cb -0.09 -3.37 0.08 0.00 -1.56 0.00 0.00 34.95 30.01 3ium s ARG 83 CO -0.08 0.25 0.20 -1.21 -0.81 0.00 0.00 175.30 173.65 3ium s GLU 84 N -0.13 0.15 6.45 5.12 0.41 -0.67 -4.96 118.70 125.07 3ium s GLU 84 Ca 0.46 0.29 0.00 0.00 -0.41 0.00 0.00 54.97 55.31 3ium s GLU 84 Cb -0.23 -1.00 0.00 0.00 -1.78 0.00 0.00 34.13 31.12 3ium s GLU 84 CO 0.30 -0.56 0.00 0.41 -0.49 0.00 0.00 175.26 174.91 3ium n GLY 85 N 5.32 2.49 1.32 -1.39 0.00 -1.24 -2.70 105.19 108.99 3ium n GLY 85 Ca -0.05 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.63 3ium n GLY 85 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3ium n ARG 86 N 13.45 3.26 -4.29 1.61 1.85 -1.26 -4.93 116.66 126.34 3ium n ARG 86 Ca 0.00 -2.13 -0.16 0.00 -1.00 0.00 0.00 57.85 54.56 3ium n ARG 86 Cb 0.00 -1.83 -0.10 0.00 -1.05 0.00 0.00 32.46 29.48 3ium n ARG 86 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3ium s TYR 87 N -1.93 1.43 -0.17 2.89 2.02 -1.10 -4.58 117.35 115.92 3ium s TYR 87 Ca 0.38 -0.79 -0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3ium s TYR 87 Cb 0.26 -0.76 -0.02 0.00 -0.40 0.00 0.00 41.96 41.04 3ium s TYR 87 CO 0.16 0.08 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.16 3ium s HIS 88 N -3.31 2.99 0.11 2.71 3.76 -0.10 -1.67 115.29 119.77 3ium s HIS 88 Ca 0.22 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 54.70 3ium s HIS 88 Cb 0.03 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 3ium s HIS 88 CO 0.04 -0.17 0.07 0.71 -0.85 0.00 0.00 174.74 174.54 3ium s TYR 89 N 0.64 3.11 -0.18 1.40 2.02 0.46 -0.63 117.35 124.16 3ium s TYR 89 Ca -0.03 0.02 -0.28 0.00 -0.37 0.00 0.00 57.07 56.41 3ium s TYR 89 Cb -0.15 -1.56 0.10 0.00 -0.40 0.00 0.00 41.96 39.95 3ium s TYR 89 CO 0.02 0.51 0.84 -0.59 -1.57 0.00 0.00 175.55 174.77 3ium s PHE 90 N -1.47 -0.58 0.12 2.71 -0.12 -0.68 -0.29 117.98 117.68 3ium s PHE 90 Ca 0.29 1.22 -0.17 0.00 -0.05 0.00 0.00 56.93 58.22 3ium s PHE 90 Cb -0.11 0.37 -0.07 0.00 -0.63 0.00 0.00 43.02 42.58 3ium s PHE 90 CO 0.21 -0.40 0.57 -0.06 -0.05 0.00 0.00 175.22 175.48 3ium s PHE 91 N -0.46 3.69 0.04 3.49 0.08 -1.26 -0.29 117.98 123.28 3ium s PHE 91 Ca -0.03 1.17 -0.01 0.00 0.12 0.00 0.00 56.93 58.18 3ium s PHE 91 Cb -0.02 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 39.95 3ium s PHE 91 CO 0.02 0.49 -0.02 0.15 -0.10 0.00 0.00 175.22 175.77 3ium s LYS 92 N -1.60 0.55 -0.15 0.44 1.02 -0.15 0.69 119.74 120.55 3ium s LYS 92 Ca 0.34 -1.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.22 3ium s LYS 92 Cb -0.17 0.19 0.07 0.00 -0.52 0.00 0.00 37.83 37.41 3ium s LYS 92 CO 0.19 -0.10 0.31 1.21 -0.92 0.00 0.00 175.35 176.04 3ium s ASN 93 N -2.57 0.09 0.00 2.83 3.84 -0.47 -0.65 114.94 118.01 3ium s ASN 93 Ca 0.01 0.72 0.15 0.00 0.21 0.00 0.00 52.86 53.95 3ium s ASN 93 Cb 0.04 0.87 0.77 0.00 -0.55 0.00 0.00 41.25 42.38 3ium s ASN 93 CO -0.08 -0.23 1.37 -0.90 -2.79 0.00 0.00 177.10 174.47 3ium n ASP 94 N 5.22 0.00 0.00 -4.21 3.85 -1.26 -0.13 116.55 120.02 3ium n ASP 94 Ca -0.09 -0.06 0.00 0.00 -0.71 0.00 0.00 54.79 53.93 3ium n ASP 94 Cb 0.50 -0.21 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3ium n ASP 94 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ium n GLY 95 N -0.06 2.13 0.02 6.12 0.00 -1.26 -3.42 105.19 108.71 3ium n GLY 95 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 3ium n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3ium n LEU 96 N 0.00 0.53 -4.75 0.99 -0.00 -1.26 -4.59 117.00 107.92 3ium n LEU 96 Ca 0.00 -0.52 -0.41 0.00 -0.00 0.00 0.00 56.01 55.09 3ium n LEU 96 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3ium n LEU 96 CO 0.00 0.13 0.81 -1.10 -0.00 0.00 0.00 177.39 177.23 3ium s GLN 97 N -1.93 4.60 0.13 1.47 -0.21 -1.26 -4.95 119.66 117.50 3ium s GLN 97 Ca 0.04 1.79 -0.12 0.00 0.02 0.00 0.00 55.36 57.09 3ium s GLN 97 Cb 0.08 -3.23 -0.06 0.00 1.00 0.00 0.00 33.01 30.80 3ium s GLN 97 CO 0.41 0.12 1.45 -0.97 -2.12 0.00 0.00 175.29 174.17 3ium h ASN 98 N 4.48 0.92 -3.78 5.90 -0.00 -2.00 -3.45 115.58 117.66 3ium h ASN 98 Ca -0.46 -0.48 -0.68 0.00 -0.00 0.00 0.00 56.30 54.69 3ium h ASN 98 Cb 1.21 -0.26 -0.19 0.00 -0.00 0.00 0.00 38.32 39.08 3ium h ASN 98 CO 0.70 1.21 -0.77 -1.10 -0.00 0.00 0.00 177.43 177.47 3ium s GLN 99 N -4.35 2.16 0.42 6.67 -0.21 -1.26 -5.10 119.66 117.99 3ium s GLN 99 Ca -0.11 -0.95 -0.25 0.00 0.02 0.00 0.00 55.36 54.06 3ium s GLN 99 Cb 0.10 -2.28 -0.08 0.00 1.00 0.00 0.00 33.01 31.75 3ium s GLN 99 CO 0.87 0.54 1.22 -0.80 -2.12 0.00 0.00 175.29 175.00 3ium s ASN 100 N -1.67 6.32 -0.13 5.90 0.01 -1.26 -4.78 114.94 119.32 3ium s ASN 100 Ca 0.17 2.46 -0.06 0.00 -0.71 0.00 0.00 52.86 54.72 3ium s ASN 100 Cb -0.11 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.89 3ium s ASN 100 CO 0.08 -0.83 0.09 -0.69 -1.51 0.00 0.00 177.10 174.25 3ium s VAL 101 N -1.38 5.11 -0.27 1.60 1.01 0.18 -4.51 120.40 122.15 3ium s VAL 101 Ca 0.59 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.47 3ium s VAL 101 Cb -0.33 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3ium s VAL 101 CO 0.42 0.57 0.46 -0.22 0.00 0.00 0.00 175.10 176.33 3ium s LEU 102 N -0.59 4.06 0.32 3.92 2.96 -0.45 -0.97 118.68 127.93 3ium s LEU 102 Ca 0.12 0.40 0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3ium s LEU 102 Cb -0.12 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 3ium s LEU 102 CO 0.02 -0.26 0.30 0.26 -1.32 0.00 0.00 176.35 175.35 3ium s TRP 103 N 2.23 2.97 0.02 5.38 0.52 0.60 -0.20 118.94 130.46 3ium s TRP 103 Ca 0.19 -0.26 -0.02 0.00 0.02 0.00 0.00 56.10 56.03 3ium s TRP 103 Cb -0.16 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3ium s TRP 103 CO 0.10 0.23 0.01 0.50 0.02 0.00 0.00 176.95 177.80 3ium s ARG 104 N -3.99 0.38 -0.17 4.98 3.52 0.95 -1.68 118.95 122.94 3ium s ARG 104 Ca 0.40 -0.62 -0.08 0.00 -0.13 0.00 0.00 55.73 55.30 3ium s ARG 104 Cb -0.07 0.14 0.06 0.00 -1.56 0.00 0.00 34.95 33.53 3ium s ARG 104 CO 0.27 -0.07 0.39 -1.14 -0.81 0.00 0.00 175.30 173.94 3ium s GLN 105 N -1.68 0.35 -0.10 5.12 0.74 0.19 -0.10 119.66 124.18 3ium s GLN 105 Ca -0.14 0.82 -0.15 0.00 0.05 0.00 0.00 55.36 55.94 3ium s GLN 105 Cb -0.08 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.03 3ium s GLN 105 CO -0.01 -0.19 0.37 -1.14 -0.55 0.00 0.00 175.29 173.77 3ium s GLN 106 N 1.71 4.14 0.05 1.67 0.74 -1.26 -0.92 119.66 125.78 3ium s GLN 106 Ca -0.07 0.27 -0.33 0.00 0.05 0.00 0.00 55.36 55.28 3ium s GLN 106 Cb -0.10 -3.36 -0.12 0.00 1.10 0.00 0.00 33.01 30.54 3ium s GLN 106 CO -0.12 0.38 1.78 0.39 -0.55 0.00 0.00 175.29 177.16 3ium n GLU 107 N 3.01 2.36 0.00 1.67 1.02 -1.26 -0.96 120.64 126.48 3ium n GLU 107 Ca -0.12 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 3ium n GLU 107 Cb 0.52 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 3ium n GLU 107 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ium n GLY 108 N 4.05 0.43 3.23 0.62 0.00 -1.26 -5.08 105.19 107.20 3ium n GLY 108 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ium n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ium s LYS 109 N -0.81 1.11 0.61 1.61 1.02 -0.13 -5.15 119.74 117.99 3ium s LYS 109 Ca 0.00 -1.54 -0.15 0.00 0.02 0.00 0.00 55.97 54.30 3ium s LYS 109 Cb 0.00 -0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.09 3ium s LYS 109 CO 0.00 -0.16 1.06 -1.25 -0.92 0.00 0.00 175.35 174.08 3ium s PRO 110 N -3.94 3.21 0.75 -1.68 0.04 -1.26 -4.48 135.00 127.64 3ium s PRO 110 Ca 0.25 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.38 3ium s PRO 110 Cb 0.06 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.63 3ium s PRO 110 CO 0.04 -0.89 1.09 0.00 0.04 0.00 0.00 177.00 177.28 3ium s ALA 111 N -2.50 2.33 0.04 8.56 0.00 -1.26 -4.57 121.76 124.35 3ium s ALA 111 Ca 0.63 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.76 3ium s ALA 111 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3ium s ALA 111 CO 0.39 -1.64 0.29 -1.83 0.00 0.00 0.00 175.76 172.97 3ium s GLU 112 N -4.78 0.80 0.23 0.00 -1.05 0.86 -4.97 118.70 109.78 3ium s GLU 112 Ca 0.62 -0.52 -0.30 0.00 -0.15 0.00 0.00 54.97 54.62 3ium s GLU 112 Cb -0.17 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.77 3ium s GLU 112 CO 0.54 -0.25 1.32 0.08 0.95 0.00 0.00 175.26 177.89 3ium s VAL 113 N -2.56 3.06 -0.11 1.83 1.01 -1.26 -0.03 120.40 122.34 3ium s VAL 113 Ca -0.05 0.91 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 3ium s VAL 113 Cb -0.01 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 3ium s VAL 113 CO -0.03 0.16 -0.11 0.33 0.00 0.00 0.00 175.10 175.45 3ium n PHE 114 N 2.19 0.00 -3.52 5.22 7.35 0.72 -4.79 117.46 124.63 3ium n PHE 114 Ca 0.05 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.63 3ium n PHE 114 Cb 0.42 -0.42 -0.10 0.00 0.35 0.00 0.00 39.48 39.74 3ium n PHE 114 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 3ium s LEU 115 N -5.80 -0.52 -0.39 -2.13 2.96 -0.62 -5.02 118.68 107.16 3ium s LEU 115 Ca -0.15 0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.19 3ium s LEU 115 Cb 0.04 1.03 0.08 0.00 0.50 0.00 0.00 46.19 47.85 3ium s LEU 115 CO 0.24 -0.27 0.18 -0.62 -1.32 0.00 0.00 176.35 174.57 3ium s ASP 116 N 2.52 5.34 0.48 3.68 -1.08 -1.26 -1.34 116.67 125.01 3ium s ASP 116 Ca 0.06 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.65 3ium s ASP 116 Cb -0.14 -1.87 1.22 0.00 -1.46 0.00 0.00 42.92 40.67 3ium s ASP 116 CO -0.13 -0.48 2.04 -0.65 0.52 0.00 0.00 175.17 176.47 3ium h PRO 117 N 8.19 0.00 -0.78 4.34 0.11 -1.90 -2.90 132.00 139.06 3ium h PRO 117 Ca -0.19 0.00 0.09 0.00 0.11 0.00 0.00 66.00 66.01 3ium h PRO 117 Cb 1.07 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 3ium h PRO 117 CO 0.69 0.15 0.51 -0.91 -0.21 0.00 0.00 178.00 178.22 3ium h ASN 118 N 0.00 0.66 1.74 -2.05 2.35 -1.86 -2.35 115.58 114.06 3ium h ASN 118 Ca -0.00 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3ium h ASN 118 Cb 0.30 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3ium h ASN 118 CO 0.02 0.40 -0.16 0.71 -1.65 0.00 0.00 177.43 176.74 3ium h THR 119 N 0.73 0.29 -0.66 2.81 1.35 -1.89 -3.28 112.91 112.26 3ium h THR 119 Ca 0.35 -1.35 0.09 0.00 -0.55 0.00 0.00 66.41 64.95 3ium h THR 119 Cb 0.40 2.09 -0.04 0.00 -1.73 0.00 0.00 68.15 68.88 3ium h THR 119 CO -0.13 0.16 0.44 -0.07 -0.25 0.00 0.00 175.52 175.67 3ium h LEU 120 N 0.00 0.50 -8.27 3.87 3.38 -1.53 -3.38 115.31 109.88 3ium h LEU 120 Ca -0.00 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3ium h LEU 120 Cb 1.08 -0.10 -0.30 0.00 0.09 0.00 0.00 40.66 41.43 3ium h LEU 120 CO 0.02 0.31 -0.76 -0.55 0.09 0.00 0.00 178.44 177.55 3ium s SER 121 N -6.21 3.98 0.48 -0.43 0.15 -1.24 -4.93 113.70 105.51 3ium s SER 121 Ca -0.09 -0.52 0.26 0.00 0.70 0.00 0.00 55.95 56.30 3ium s SER 121 Cb 0.20 -1.66 1.43 0.00 -1.71 0.00 0.00 66.02 64.27 3ium s SER 121 CO 0.76 -0.03 1.78 -0.65 1.20 0.00 0.00 173.24 176.30 3ium h PRO 122 N 8.05 0.00 0.00 5.44 0.11 -1.83 0.14 132.00 143.91 3ium h PRO 122 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3ium h PRO 122 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3ium h PRO 122 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3ium n ASP 123 N -2.53 0.94 -0.51 -2.05 5.68 -1.26 -5.03 116.55 111.78 3ium n ASP 123 Ca -0.02 -0.98 -0.05 0.00 -0.50 0.00 0.00 54.79 53.24 3ium n ASP 123 Cb 0.21 0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.21 3ium n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ium n GLY 124 N 0.03 0.33 0.16 6.12 0.00 0.49 -4.94 105.19 107.38 3ium n GLY 124 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.41 3ium n GLY 124 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ium n THR 125 N -3.69 0.00 -3.24 2.61 -2.24 -1.26 -4.77 114.28 101.69 3ium n THR 125 Ca -0.06 -0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3ium n THR 125 Cb 0.44 0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 69.23 3ium n THR 125 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ium s THR 126 N -2.76 4.99 0.06 4.28 2.01 -1.26 -2.27 115.64 120.70 3ium s THR 126 Ca 0.16 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.22 3ium s THR 126 Cb 0.18 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 3ium s THR 126 CO 0.66 -0.40 -0.09 0.00 -0.69 0.00 0.00 174.62 174.10 3ium s ALA 127 N 2.41 2.95 0.02 7.40 0.00 0.05 -4.61 121.76 129.98 3ium s ALA 127 Ca 0.17 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 3ium s ALA 127 Cb -0.16 -0.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 3ium s ALA 127 CO 0.15 0.63 1.08 -1.17 0.00 0.00 0.00 175.76 176.45 3ium s LEU 128 N -1.84 4.36 0.00 0.00 2.96 -1.26 -0.50 118.68 122.39 3ium s LEU 128 Ca 0.19 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 3ium s LEU 128 Cb -0.11 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3ium s LEU 128 CO 0.11 -0.37 0.00 -0.67 -1.32 0.00 0.00 176.35 174.10 3ium n ASP 129 N 4.03 0.00 -4.83 3.68 2.03 0.11 -4.92 116.55 116.65 3ium n ASP 129 Ca 0.08 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.05 3ium n ASP 129 Cb 0.49 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 3ium n ASP 129 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3ium s GLN 130 N 0.68 4.16 -0.06 -0.67 -1.52 -1.24 -4.86 119.66 116.15 3ium s GLN 130 Ca 0.00 0.85 0.01 0.00 -1.95 0.00 0.00 55.36 54.28 3ium s GLN 130 Cb 0.00 -2.56 0.02 0.00 -0.22 0.00 0.00 33.01 30.25 3ium s GLN 130 CO 0.00 0.21 -0.07 -1.17 -0.25 0.00 0.00 175.29 174.01 3ium s LEU 131 N -2.63 1.40 -0.25 2.90 2.96 -1.26 -1.02 118.68 120.77 3ium s LEU 131 Ca 0.52 -0.19 -0.06 0.00 -0.22 0.00 0.00 54.13 54.17 3ium s LEU 131 Cb -0.13 -0.59 0.12 0.00 0.50 0.00 0.00 46.19 46.10 3ium s LEU 131 CO 0.18 -0.03 0.50 -0.55 -1.32 0.00 0.00 176.35 175.13 3ium s SER 132 N 0.91 -0.59 0.31 3.68 0.15 0.54 -5.01 113.70 113.69 3ium s SER 132 Ca -0.11 1.05 -0.14 0.00 0.70 0.00 0.00 55.95 57.45 3ium s SER 132 Cb -0.15 1.71 -0.09 0.00 -1.71 0.00 0.00 66.02 65.79 3ium s SER 132 CO 0.01 -0.24 0.70 -0.36 1.20 0.00 0.00 173.24 174.55 3ium s PHE 133 N 2.72 3.38 0.82 3.44 0.08 -1.26 -1.01 117.98 126.16 3ium s PHE 133 Ca 0.02 1.15 -0.11 0.00 0.12 0.00 0.00 56.93 58.11 3ium s PHE 133 Cb -0.13 -2.48 0.09 0.00 -0.57 0.00 0.00 43.02 39.92 3ium s PHE 133 CO -0.16 0.12 1.10 -1.54 -0.10 0.00 0.00 175.22 174.63 3ium s SER 134 N -2.33 4.06 0.33 1.36 1.04 -0.10 -4.82 113.70 113.24 3ium s SER 134 Ca 0.53 1.80 0.10 0.00 0.48 0.00 0.00 55.95 58.86 3ium s SER 134 Cb -0.10 -2.45 0.90 0.00 0.10 0.00 0.00 66.02 64.46 3ium s SER 134 CO 0.19 -2.32 1.74 -0.09 0.98 0.00 0.00 173.24 173.74 3ium h ARG 135 N -1.32 0.56 -0.01 4.02 9.65 -1.74 0.43 114.38 125.97 3ium h ARG 135 Ca -0.45 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3ium h ARG 135 Cb 1.25 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3ium h ARG 135 CO 0.51 0.37 -0.02 -0.40 2.80 0.00 0.00 179.97 183.23 3ium n ASP 136 N -4.84 0.54 -0.00 -3.80 5.68 -1.26 -4.84 116.55 108.02 3ium n ASP 136 Ca 0.26 -1.04 -0.00 0.00 -0.50 0.00 0.00 54.79 53.52 3ium n ASP 136 Cb 0.74 -0.02 -0.00 0.00 -1.14 0.00 0.00 41.12 40.70 3ium n ASP 136 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ium n GLY 137 N 1.12 0.27 0.13 6.12 0.00 0.15 -3.71 105.19 109.27 3ium n GLY 137 Ca 0.20 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 3ium n GLY 137 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ium h ARG 138 N 0.52 0.00 -5.97 1.61 3.08 -1.91 -3.40 114.38 108.32 3ium h ARG 138 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3ium h ARG 138 Cb 0.47 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.22 3ium h ARG 138 CO 0.00 0.14 -0.86 0.42 -1.07 0.00 0.00 179.97 178.60 3ium s ILE 139 N -3.17 1.76 -0.13 2.04 -1.09 -1.26 -1.41 121.20 117.93 3ium s ILE 139 Ca 0.01 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 3ium s ILE 139 Cb 0.08 -1.47 -0.01 0.00 -1.58 0.00 0.00 42.46 39.48 3ium s ILE 139 CO 0.77 0.50 -0.14 -0.22 -1.23 0.00 0.00 174.94 174.62 3ium s LEU 140 N -0.32 2.65 -0.13 2.97 2.96 -1.26 -0.92 118.68 124.62 3ium s LEU 140 Ca 0.03 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 3ium s LEU 140 Cb -0.10 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3ium s LEU 140 CO 0.01 0.15 -0.09 0.00 -1.32 0.00 0.00 176.35 175.10 3ium s ALA 141 N 0.42 2.81 -0.03 5.97 0.00 -0.18 -4.14 121.76 126.61 3ium s ALA 141 Ca -0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 50.89 3ium s ALA 141 Cb -0.16 -1.34 0.02 0.00 0.00 0.00 0.00 23.12 21.64 3ium s ALA 141 CO 0.05 0.29 0.23 1.52 0.00 0.00 0.00 175.76 177.85 3ium s TYR 142 N 0.18 -0.13 -0.05 0.00 -0.85 -0.54 -0.34 117.35 115.62 3ium s TYR 142 Ca -0.05 0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.71 3ium s TYR 142 Cb -0.14 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.20 3ium s TYR 142 CO 0.04 -0.28 0.10 -1.54 -1.52 0.00 0.00 175.55 172.35 3ium s SER 143 N -0.92 5.88 -0.02 -0.18 1.04 -0.19 -0.46 113.70 118.85 3ium s SER 143 Ca -0.10 0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.66 3ium s SER 143 Cb -0.05 -1.77 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 3ium s SER 143 CO 0.02 0.33 -0.23 -0.76 0.98 0.00 0.00 173.24 173.58 3ium s LEU 144 N -1.40 2.04 -0.18 2.42 1.43 -0.75 0.06 118.68 122.29 3ium s LEU 144 Ca 0.19 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3ium s LEU 144 Cb -0.12 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.88 3ium s LEU 144 CO 0.10 0.28 -0.03 -0.94 0.23 0.00 0.00 176.35 175.98 3ium s SER 145 N -0.49 4.65 0.35 2.29 1.04 0.34 -2.94 113.70 118.94 3ium s SER 145 Ca 0.07 -0.22 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 3ium s SER 145 Cb -0.09 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 3ium s SER 145 CO -0.00 0.09 0.56 -0.76 0.98 0.00 0.00 173.24 174.11 3ium s LEU 146 N 0.81 3.99 0.00 2.42 1.02 -1.26 -0.77 118.68 124.89 3ium s LEU 146 Ca -0.01 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.66 3ium s LEU 146 Cb -0.14 -3.38 0.00 0.00 0.02 0.00 0.00 46.19 42.69 3ium s LEU 146 CO 0.02 -0.30 0.00 0.00 0.02 0.00 0.00 176.35 176.09 3ium n ALA 147 N -1.69 0.00 -2.04 4.21 0.00 -0.96 -0.54 120.51 119.50 3ium n ALA 147 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 3ium n ALA 147 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 3ium n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ium n GLY 148 N 0.00 0.31 3.86 0.00 0.00 -1.26 -4.84 105.19 103.26 3ium n GLY 148 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 3ium n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ium s SER 149 N -0.61 6.49 0.32 1.61 0.15 0.30 -4.97 113.70 116.98 3ium s SER 149 Ca 0.02 1.32 0.24 0.00 0.70 0.00 0.00 55.95 58.23 3ium s SER 149 Cb 0.08 -2.41 0.52 0.00 -1.71 0.00 0.00 66.02 62.50 3ium s SER 149 CO -0.02 -0.56 1.64 0.44 1.20 0.00 0.00 173.24 175.93 3ium h ASP 150 N 0.79 0.00 -4.20 5.45 3.45 -1.97 -3.43 116.42 116.51 3ium h ASP 150 Ca -0.46 -0.01 -0.51 0.00 0.43 0.00 0.00 57.03 56.48 3ium h ASP 150 Cb 1.19 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 40.06 3ium h ASP 150 CO 0.62 0.01 0.37 0.26 -1.57 0.00 0.00 179.24 178.93 3ium s TRP 151 N -3.17 2.68 0.11 4.55 0.52 -1.26 -4.33 118.94 118.03 3ium s TRP 151 Ca 0.08 1.54 -0.04 0.00 0.02 0.00 0.00 56.10 57.70 3ium s TRP 151 Cb 0.09 -3.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.24 3ium s TRP 151 CO 0.65 -1.61 0.11 1.03 0.02 0.00 0.00 176.95 177.15 3ium s ARG 152 N -4.12 0.89 -0.02 4.98 1.81 0.11 -4.42 118.95 118.18 3ium s ARG 152 Ca 0.66 -1.25 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 3ium s ARG 152 Cb -0.20 0.28 -0.00 0.00 -0.45 0.00 0.00 34.95 34.58 3ium s ARG 152 CO 0.41 -0.26 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.45 3ium s GLU 153 N -3.97 0.98 -0.32 3.54 2.02 -1.15 -1.96 118.70 117.84 3ium s GLU 153 Ca 0.15 -0.37 -0.09 0.00 0.02 0.00 0.00 54.97 54.68 3ium s GLU 153 Cb 0.06 -0.92 0.00 0.00 0.10 0.00 0.00 34.13 33.37 3ium s GLU 153 CO -0.03 0.18 0.15 0.42 0.02 0.00 0.00 175.26 175.99 3ium s ILE 154 N -0.03 4.48 0.14 -1.63 1.01 -0.02 -1.81 121.20 123.35 3ium s ILE 154 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 3ium s ILE 154 Cb -0.07 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.01 3ium s ILE 154 CO 0.00 0.02 0.45 -1.00 0.00 0.00 0.00 174.94 174.40 3ium s HIS 155 N 1.58 3.52 0.41 3.97 3.76 0.39 -0.29 115.29 128.63 3ium s HIS 155 Ca 0.04 0.77 0.06 0.00 -0.15 0.00 0.00 55.06 55.78 3ium s HIS 155 Cb -0.17 -2.16 -0.07 0.00 1.11 0.00 0.00 32.58 31.28 3ium s HIS 155 CO 0.06 0.42 0.01 -0.51 -0.85 0.00 0.00 174.74 173.88 3ium s LEU 156 N -2.35 2.75 -0.15 0.89 1.43 -1.26 -1.47 118.68 118.53 3ium s LEU 156 Ca 0.39 -1.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.10 3ium s LEU 156 Cb -0.13 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3ium s LEU 156 CO 0.21 -0.50 -0.15 -0.62 0.23 0.00 0.00 176.35 175.51 3ium s ASP 158 N -3.70 2.69 0.27 2.29 2.15 -0.78 -0.78 116.67 118.81 3ium s ASP 158 Ca 0.32 -0.49 -0.02 0.00 0.43 0.00 0.00 52.55 52.79 3ium s ASP 158 Cb 0.09 -1.19 0.42 0.00 -0.30 0.00 0.00 42.92 41.94 3ium s ASP 158 CO 0.16 -0.04 1.88 0.58 -0.17 0.00 0.00 175.17 177.58 3ium h VAL 159 N 6.03 1.07 0.08 1.11 2.07 -1.57 0.16 116.25 125.20 3ium h VAL 159 Ca -0.38 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 3ium h VAL 159 Cb 1.14 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3ium h VAL 159 CO 0.53 0.21 -0.04 -0.33 0.02 0.00 0.00 177.57 177.97 3ium h GLU 160 N 1.16 -0.10 0.00 1.57 4.39 -1.95 -3.28 114.58 116.38 3ium h GLU 160 Ca 0.44 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 60.09 3ium h GLU 160 Cb 0.20 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3ium h GLU 160 CO -0.18 0.37 -0.27 0.66 -1.16 0.00 0.00 179.01 178.43 3ium h SER 161 N -0.63 0.00 -5.74 1.42 4.64 -1.96 -3.47 113.55 107.81 3ium h SER 161 Ca -0.01 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 3ium h SER 161 Cb 0.52 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.76 3ium h SER 161 CO 0.02 0.27 -0.70 0.29 -0.87 0.00 0.00 176.83 175.84 3ium n LYS 162 N -3.24 -7.54 -4.20 4.77 5.02 0.55 -5.00 118.16 108.52 3ium n LYS 162 Ca 0.02 0.83 -0.16 0.00 -2.02 0.00 0.00 58.31 56.97 3ium n LYS 162 Cb 0.57 -5.84 -0.11 0.00 -0.02 0.00 0.00 35.03 29.63 3ium n LYS 162 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3ium s GLN 163 N -6.04 0.92 0.19 1.97 2.00 -1.22 -4.96 119.66 112.52 3ium s GLN 163 Ca 0.42 -1.19 -0.33 0.00 -2.00 0.00 0.00 55.36 52.26 3ium s GLN 163 Cb -0.19 -0.70 -0.14 0.00 0.80 0.00 0.00 33.01 32.79 3ium s GLN 163 CO 0.72 0.12 1.53 -2.30 -0.50 0.00 0.00 175.29 174.86 3ium n PRO 164 N 0.55 2.14 0.04 1.67 -0.02 -1.26 -1.86 135.00 136.25 3ium n PRO 164 Ca -0.16 0.77 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 3ium n PRO 164 Cb 0.57 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 3ium n PRO 164 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ium h LEU 165 N 5.34 0.49 -8.41 2.45 5.85 -1.35 -3.45 115.31 116.24 3ium h LEU 165 Ca -0.45 -0.86 -0.17 0.00 0.84 0.00 0.00 57.88 57.25 3ium h LEU 165 Cb 1.26 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 3ium h LEU 165 CO 0.84 1.74 -0.25 -1.61 -0.34 0.00 0.00 178.44 178.83 3ium s GLU 166 N -2.58 1.60 0.40 1.25 2.02 -1.26 -5.05 118.70 115.09 3ium s GLU 166 Ca -0.17 -1.50 -0.25 0.00 0.02 0.00 0.00 54.97 53.07 3ium s GLU 166 Cb 0.06 0.42 -0.08 0.00 0.10 0.00 0.00 34.13 34.63 3ium s GLU 166 CO 0.82 -0.64 1.16 -0.08 0.02 0.00 0.00 175.26 176.54 3ium s THR 167 N -3.72 3.19 0.61 3.63 -1.32 -1.26 -4.55 115.64 112.23 3ium s THR 167 Ca 0.29 1.00 -0.19 0.00 -1.21 0.00 0.00 61.69 61.57 3ium s THR 167 Cb 0.01 -3.55 -0.02 0.00 -1.51 0.00 0.00 72.50 67.42 3ium s THR 167 CO 0.13 0.09 1.32 -0.81 -2.21 0.00 0.00 174.62 173.14 3ium n PRO 168 N 0.07 1.32 -2.73 7.08 -0.04 -1.26 -4.86 135.00 134.58 3ium n PRO 168 Ca 0.04 0.51 -0.41 0.00 -0.04 0.00 0.00 63.50 63.60 3ium n PRO 168 Cb 0.47 -2.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.32 3ium n PRO 168 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3ium s LEU 169 N -4.07 4.57 0.41 1.53 1.43 0.60 -4.84 118.68 118.30 3ium s LEU 169 Ca 0.79 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.84 3ium s LEU 169 Cb -0.39 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 3ium s LEU 169 CO 0.43 0.04 0.18 -0.54 0.23 0.00 0.00 176.35 176.69 3ium s LYS 170 N -0.57 2.25 -1.45 1.70 1.02 -1.26 -0.84 119.74 120.59 3ium s LYS 170 Ca 0.44 -1.80 -0.08 0.00 0.02 0.00 0.00 55.97 54.55 3ium s LYS 170 Cb -0.25 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3ium s LYS 170 CO 0.31 -0.10 0.82 -0.25 -0.92 0.00 0.00 175.35 175.21 3ium n ASP 171 N -1.24 -2.97 -4.89 2.83 8.00 -1.21 -4.93 116.55 112.14 3ium n ASP 171 Ca -0.01 -0.83 -0.34 0.00 0.71 0.00 0.00 54.79 54.33 3ium n ASP 171 Cb 0.64 -3.81 -0.05 0.00 -0.02 0.00 0.00 41.12 37.88 3ium n ASP 171 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ium s VAL 172 N -3.50 5.27 -0.11 2.53 1.01 -0.83 -4.42 120.40 120.35 3ium s VAL 172 Ca 0.36 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 62.24 3ium s VAL 172 Cb -0.18 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.66 3ium s VAL 172 CO 0.83 0.27 0.51 -0.75 0.00 0.00 0.00 175.10 175.97 3ium s LYS 173 N -2.02 0.74 -1.41 2.72 2.20 -1.21 0.07 119.74 120.82 3ium s LYS 173 Ca 0.31 0.38 -0.10 0.00 -0.36 0.00 0.00 55.97 56.20 3ium s LYS 173 Cb -0.13 0.35 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3ium s LYS 173 CO 0.19 -0.16 0.31 1.19 -0.36 0.00 0.00 175.35 176.52 3ium n PHE 174 N 1.95 -1.42 -4.70 4.03 3.72 -1.26 -4.46 117.46 115.32 3ium n PHE 174 Ca -0.17 0.49 -0.29 0.00 -0.05 0.00 0.00 57.45 57.43 3ium n PHE 174 Cb 0.56 -3.04 -0.14 0.00 -0.94 0.00 0.00 39.48 35.92 3ium n PHE 174 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ium s SER 175 N -4.11 3.15 0.45 4.37 0.15 -1.26 -4.82 113.70 111.63 3ium s SER 175 Ca 0.16 -0.64 0.07 0.00 0.70 0.00 0.00 55.95 56.23 3ium s SER 175 Cb -0.08 -0.25 0.08 0.00 -1.71 0.00 0.00 66.02 64.05 3ium s SER 175 CO 0.96 0.22 0.61 0.61 1.20 0.00 0.00 173.24 176.84 3ium n GLY 176 N 1.46 1.86 2.63 9.45 0.00 -1.26 -4.93 105.19 114.41 3ium n GLY 176 Ca -0.17 -2.19 -0.25 0.00 0.00 0.00 0.00 46.02 43.41 3ium n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ium s ILE 177 N -1.75 -0.12 -0.11 -0.61 1.01 -1.26 -4.34 121.20 114.02 3ium s ILE 177 Ca 0.46 -0.12 -0.00 0.00 0.00 0.00 0.00 60.65 60.98 3ium s ILE 177 Cb -0.04 -0.56 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3ium s ILE 177 CO 0.29 -0.25 -0.08 -0.55 0.00 0.00 0.00 174.94 174.36 3ium s SER 178 N 2.16 2.19 0.43 3.58 0.15 -0.76 -4.84 113.70 116.61 3ium s SER 178 Ca 0.03 -0.31 -0.21 0.00 0.70 0.00 0.00 55.95 56.16 3ium s SER 178 Cb -0.16 -0.84 -0.11 0.00 -1.71 0.00 0.00 66.02 63.20 3ium s SER 178 CO -0.09 -0.12 0.96 0.26 1.20 0.00 0.00 173.24 175.45 3ium s TRP 179 N 1.71 3.30 -0.40 3.44 0.52 -1.26 -0.10 118.94 126.14 3ium s TRP 179 Ca 0.05 1.62 -0.03 0.00 0.02 0.00 0.00 56.10 57.76 3ium s TRP 179 Cb -0.13 -2.89 0.10 0.00 -1.15 0.00 0.00 33.47 29.41 3ium s TRP 179 CO -0.08 -0.19 0.18 -1.17 0.02 0.00 0.00 176.95 175.71 3ium s LEU 180 N -3.13 5.13 0.00 2.99 2.96 0.13 -4.64 118.68 122.13 3ium s LEU 180 Ca 0.62 -1.97 0.00 0.00 -0.22 0.00 0.00 54.13 52.56 3ium s LEU 180 Cb -0.11 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.77 3ium s LEU 180 CO 0.15 -0.52 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 3ium n GLY 181 N 4.59 3.48 0.05 7.98 0.00 -1.26 -1.82 105.19 118.21 3ium n GLY 181 Ca -0.03 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3ium n GLY 181 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ium n ASN 182 N 5.14 2.16 0.10 1.61 3.02 -1.26 -1.93 115.26 124.10 3ium n ASN 182 Ca 0.00 -2.66 -0.22 0.00 -0.03 0.00 0.00 54.58 51.67 3ium n ASN 182 Cb 0.00 -0.27 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 3ium n ASN 182 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ium h GLU 183 N 0.00 0.42 0.00 3.52 5.08 -1.77 -3.47 114.58 118.36 3ium h GLU 183 Ca 0.00 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.64 3ium h GLU 183 Cb 0.83 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ium h GLU 183 CO 0.00 1.33 0.00 0.41 -1.00 0.00 0.00 179.01 179.75 3ium n GLY 184 N 1.77 -0.57 3.30 -3.84 0.00 -1.23 -0.62 105.19 103.99 3ium n GLY 184 Ca -0.20 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 3ium n GLY 184 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ium s PHE 185 N -3.00 -0.09 -0.04 1.61 -0.12 -0.68 -0.69 117.98 114.98 3ium s PHE 185 Ca 0.00 -0.26 -0.13 0.00 -0.05 0.00 0.00 56.93 56.49 3ium s PHE 185 Cb 0.00 0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.51 3ium s PHE 185 CO 0.00 -0.67 0.34 -0.06 -0.05 0.00 0.00 175.22 174.78 3ium s PHE 186 N -3.83 3.69 0.24 3.49 0.08 0.85 -0.66 117.98 121.84 3ium s PHE 186 Ca 0.04 0.87 -0.08 0.00 0.12 0.00 0.00 56.93 57.88 3ium s PHE 186 Cb 0.03 -2.21 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 3ium s PHE 186 CO -0.11 0.65 0.35 1.52 -0.10 0.00 0.00 175.22 177.54 3ium s TYR 187 N -1.01 0.70 0.10 0.36 -0.85 -0.57 -1.82 117.35 114.25 3ium s TYR 187 Ca 0.21 -1.00 0.09 0.00 -0.52 0.00 0.00 57.07 55.85 3ium s TYR 187 Cb -0.15 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.05 3ium s TYR 187 CO 0.11 -0.88 -0.19 -1.12 -1.52 0.00 0.00 175.55 171.95 3ium s SER 188 N -3.09 3.79 0.07 -0.18 0.01 -1.26 -0.90 113.70 112.15 3ium s SER 188 Ca 0.29 -0.54 -0.25 0.00 1.31 0.00 0.00 55.95 56.76 3ium s SER 188 Cb 0.02 -0.53 0.07 0.00 0.21 0.00 0.00 66.02 65.79 3ium s SER 188 CO 0.11 0.20 0.61 -0.55 0.41 0.00 0.00 173.24 174.02 3ium s SER 189 N -1.92 -0.57 0.10 2.44 0.15 -0.13 -3.36 113.70 110.42 3ium s SER 189 Ca 0.16 0.26 0.24 0.00 0.70 0.00 0.00 55.95 57.31 3ium s SER 189 Cb -0.10 0.56 0.39 0.00 -1.71 0.00 0.00 66.02 65.15 3ium s SER 189 CO 0.08 -0.81 1.35 -1.22 1.20 0.00 0.00 173.24 173.84 3ium n TYR 190 N 0.17 0.47 0.00 3.44 4.01 -1.26 -0.68 117.16 123.32 3ium n TYR 190 Ca -0.18 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3ium n TYR 190 Cb 0.62 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3ium n TYR 190 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ium n ASP 191 N -2.02 0.00 -2.89 7.72 8.00 -1.26 -4.70 116.55 121.40 3ium n ASP 191 Ca 0.04 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.21 3ium n ASP 191 Cb 0.42 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.53 3ium n ASP 191 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ium n LYS 192 N 0.00 3.54 0.00 -1.24 5.02 -1.26 -4.96 118.16 119.27 3ium n LYS 192 Ca 0.00 -4.34 0.00 0.00 -2.02 0.00 0.00 58.31 51.95 3ium n LYS 192 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 3ium n LYS 192 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3ium n PRO 193 N -0.38 0.00 -0.82 1.97 -0.02 -1.26 -4.83 135.00 129.66 3ium n PRO 193 Ca 0.43 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.97 3ium n PRO 193 Cb 0.42 -1.09 -0.04 0.00 -0.02 0.00 0.00 33.50 32.77 3ium n PRO 193 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ium n THR 202 N -0.26 -0.86 -1.54 3.45 -2.24 -1.26 -4.28 114.28 107.29 3ium n THR 202 Ca 0.00 0.61 -0.32 0.00 -2.27 0.00 0.00 64.05 62.08 3ium n THR 202 Cb 0.00 -0.96 0.06 0.00 -2.10 0.00 0.00 70.33 67.33 3ium n THR 202 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3ium n ASP 203 N -2.93 6.85 -4.21 3.42 5.75 -1.26 -4.87 116.55 119.29 3ium n ASP 203 Ca -0.04 -3.78 -0.41 0.00 -0.01 0.00 0.00 54.79 50.55 3ium n ASP 203 Cb 0.34 -0.78 -0.08 0.00 -1.03 0.00 0.00 41.12 39.57 3ium n ASP 203 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3ium s GLN 204 N -3.76 2.59 0.31 0.11 -0.21 -1.26 -4.19 119.66 113.24 3ium s GLN 204 Ca 0.61 -1.88 -0.29 0.00 0.02 0.00 0.00 55.36 53.82 3ium s GLN 204 Cb 0.48 -3.97 -0.10 0.00 1.00 0.00 0.00 33.01 30.42 3ium s GLN 204 CO 0.01 -1.21 1.29 -1.58 -2.12 0.00 0.00 175.29 171.68 3ium s HIS 205 N 1.17 3.13 0.07 0.91 2.46 -0.23 -4.69 115.29 118.11 3ium s HIS 205 Ca 0.07 1.42 0.05 0.00 0.47 0.00 0.00 55.06 57.07 3ium s HIS 205 Cb -0.25 -3.63 -0.03 0.00 -0.13 0.00 0.00 32.58 28.54 3ium s HIS 205 CO -0.01 -1.74 -0.15 0.15 -2.47 0.00 0.00 174.74 170.52 3ium s LYS 206 N -1.55 0.86 -0.16 2.88 1.02 0.15 -4.60 119.74 118.33 3ium s LYS 206 Ca 0.49 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 55.42 3ium s LYS 206 Cb -0.39 -0.89 -0.05 0.00 -0.52 0.00 0.00 37.83 35.99 3ium s LYS 206 CO 0.50 0.20 0.26 0.08 -0.92 0.00 0.00 175.35 175.47 3ium s VAL 207 N -1.18 5.33 0.23 3.17 1.01 -0.18 -0.96 120.40 127.81 3ium s VAL 207 Ca -0.01 0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.55 3ium s VAL 207 Cb -0.10 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 3ium s VAL 207 CO 0.02 0.41 -0.19 -0.31 0.00 0.00 0.00 175.10 175.03 3ium s TYR 208 N 0.39 2.06 -0.16 5.22 2.02 -0.08 -0.21 117.35 126.60 3ium s TYR 208 Ca 0.15 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3ium s TYR 208 Cb -0.13 -0.95 0.01 0.00 -0.40 0.00 0.00 41.96 40.50 3ium s TYR 208 CO 0.03 0.53 -0.21 0.12 -1.57 0.00 0.00 175.55 174.45 3ium s PHE 209 N -2.43 2.73 -0.31 2.71 5.36 -0.65 -1.51 117.98 123.87 3ium s PHE 209 Ca 0.24 -1.46 -0.10 0.00 -0.96 0.00 0.00 56.93 54.66 3ium s PHE 209 Cb -0.04 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3ium s PHE 209 CO 0.11 -0.69 0.16 -1.58 -1.46 0.00 0.00 175.22 171.75 3ium s HIS 210 N 1.03 3.18 -0.07 10.12 5.65 0.16 -2.68 115.29 132.68 3ium s HIS 210 Ca -0.02 -0.49 -0.24 0.00 0.25 0.00 0.00 55.06 54.57 3ium s HIS 210 Cb -0.14 -2.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.86 3ium s HIS 210 CO -0.07 -0.43 0.71 0.50 -0.65 0.00 0.00 174.74 174.81 3ium s ARG 211 N 1.63 4.43 0.44 2.88 3.52 -1.26 -1.68 118.95 128.91 3ium s ARG 211 Ca 0.05 0.89 -0.26 0.00 -0.13 0.00 0.00 55.73 56.28 3ium s ARG 211 Cb -0.17 -3.45 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 3ium s ARG 211 CO 0.07 0.04 1.44 -0.51 -0.81 0.00 0.00 175.30 175.54 3ium s LEU 212 N 0.86 4.15 0.00 -0.88 1.43 0.20 -2.53 118.68 121.93 3ium s LEU 212 Ca 0.38 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.43 3ium s LEU 212 Cb -0.18 -3.88 0.00 0.00 0.03 0.00 0.00 46.19 42.16 3ium s LEU 212 CO 0.18 -1.12 0.00 0.61 0.23 0.00 0.00 176.35 176.25 3ium n GLY 213 N 0.55 0.74 3.42 -3.19 0.00 -1.26 -5.00 105.19 100.46 3ium n GLY 213 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3ium n GLY 213 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ium s THR 214 N -2.33 1.58 0.27 2.61 -4.23 -1.05 -5.14 115.64 107.36 3ium s THR 214 Ca 0.00 -2.11 -0.21 0.00 -1.18 0.00 0.00 61.69 58.19 3ium s THR 214 Cb 0.00 -2.46 -0.09 0.00 1.34 0.00 0.00 72.50 71.30 3ium s THR 214 CO 0.00 -0.29 0.79 0.00 -0.54 0.00 0.00 174.62 174.58 3ium s ALA 215 N -3.05 3.33 0.27 3.99 0.00 -1.26 -4.92 121.76 120.12 3ium s ALA 215 Ca 0.30 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3ium s ALA 215 Cb 0.04 -2.92 0.61 0.00 0.00 0.00 0.00 23.12 20.84 3ium s ALA 215 CO 0.12 0.28 1.72 0.37 0.00 0.00 0.00 175.76 178.25 3ium h GLN 216 N 3.13 0.46 -0.04 0.00 4.15 -1.95 0.16 115.11 121.02 3ium h GLN 216 Ca -0.48 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 58.93 3ium h GLN 216 Cb 1.19 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.77 3ium h GLN 216 CO 0.65 0.31 0.31 1.05 -1.93 0.00 0.00 178.83 179.22 3ium h GLU 217 N 0.48 0.00 -0.51 1.69 4.11 -1.88 0.18 114.58 118.65 3ium h GLU 217 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 3ium h GLU 217 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3ium h GLU 217 CO -0.45 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.38 3ium n ASP 218 N -2.99 3.47 -4.76 3.06 8.00 0.04 -4.97 116.55 118.39 3ium n ASP 218 Ca -0.01 -1.98 -0.41 0.00 0.71 0.00 0.00 54.79 53.09 3ium n ASP 218 Cb 0.37 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 3ium n ASP 218 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3ium s ASP 219 N -1.28 6.34 0.09 -2.24 1.01 0.65 -4.93 116.67 116.30 3ium s ASP 219 Ca 0.42 3.00 -0.30 0.00 0.71 0.00 0.00 52.55 56.37 3ium s ASP 219 Cb 0.23 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 3ium s ASP 219 CO 0.31 -0.93 1.13 -0.60 0.21 0.00 0.00 175.17 175.29 3ium s ARG 220 N -0.85 4.51 -0.33 8.23 3.52 -1.09 -4.83 118.95 128.11 3ium s ARG 220 Ca 0.61 1.69 -0.28 0.00 -0.13 0.00 0.00 55.73 57.62 3ium s ARG 220 Cb -0.48 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 3ium s ARG 220 CO 0.52 -0.11 1.05 -1.17 -0.81 0.00 0.00 175.30 174.78 3ium s LEU 221 N 0.57 3.93 -0.11 -0.88 2.96 -1.26 -1.64 118.68 122.24 3ium s LEU 221 Ca 0.54 0.96 0.09 0.00 -0.22 0.00 0.00 54.13 55.50 3ium s LEU 221 Cb -0.28 -3.49 -0.24 0.00 0.50 0.00 0.00 46.19 42.68 3ium s LEU 221 CO 0.31 -0.88 0.38 0.52 -1.32 0.00 0.00 176.35 175.36 3ium n VAL 222 N 5.92 1.59 -3.55 1.68 0.31 0.71 -5.00 118.33 119.98 3ium n VAL 222 Ca 0.11 -0.76 -0.14 0.00 -0.01 0.00 0.00 64.34 63.54 3ium n VAL 222 Cb 0.47 -1.09 -0.06 0.00 -0.91 0.00 0.00 33.84 32.26 3ium n VAL 222 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3ium s PHE 223 N -2.56 -0.51 0.00 3.52 5.36 -1.14 -4.96 117.98 117.69 3ium s PHE 223 Ca -0.12 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 56.72 3ium s PHE 223 Cb 0.07 0.43 0.00 0.00 -0.34 0.00 0.00 43.02 43.18 3ium s PHE 223 CO 0.79 -0.48 0.00 0.41 -1.46 0.00 0.00 175.22 174.49 3ium n GLY 224 N 0.81 0.48 0.08 13.12 0.00 -1.26 -1.01 105.19 117.41 3ium n GLY 224 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 3ium n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ium h ALA 225 N 0.00 0.06 -2.75 4.61 0.00 -1.88 -3.37 119.26 115.93 3ium h ALA 225 Ca 0.00 -0.64 -0.51 0.00 0.00 0.00 0.00 54.91 53.75 3ium h ALA 225 Cb 0.00 0.16 0.08 0.00 0.00 0.00 0.00 17.79 18.03 3ium h ALA 225 CO 0.00 0.15 0.51 0.96 0.00 0.00 0.00 179.25 180.87 3ium s ILE 226 N -2.24 2.93 0.30 0.00 -4.36 -1.26 -4.83 121.20 111.74 3ium s ILE 226 Ca -0.21 0.70 0.02 0.00 -0.26 0.00 0.00 60.65 60.90 3ium s ILE 226 Cb -0.01 -3.35 0.41 0.00 1.25 0.00 0.00 42.46 40.76 3ium s ILE 226 CO 0.66 -0.01 1.53 -2.65 0.24 0.00 0.00 174.94 174.71 3ium n PRO 227 N -0.58 -0.08 0.21 0.37 -0.02 -1.26 0.35 135.00 133.99 3ium n PRO 227 Ca 0.08 1.46 0.15 0.00 -2.02 0.00 0.00 63.50 63.17 3ium n PRO 227 Cb 0.47 -2.33 0.72 0.00 -0.02 0.00 0.00 33.50 32.35 3ium n PRO 227 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ium h ALA 228 N 1.95 1.00 -0.02 3.55 0.00 -1.97 -2.44 119.26 121.33 3ium h ALA 228 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ium h ALA 228 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ium h ALA 228 CO -0.92 0.00 -0.11 1.04 0.00 0.00 0.00 179.25 179.26 3ium n GLN 229 N -2.55 1.49 -1.67 0.00 6.02 0.15 -4.99 117.38 115.83 3ium n GLN 229 Ca -0.01 -1.29 -0.43 0.00 -0.01 0.00 0.00 57.00 55.26 3ium n GLN 229 Cb 0.13 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 3ium n GLN 229 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3ium n HIS 230 N 0.61 2.52 -3.82 1.08 8.25 -0.92 -4.33 115.22 118.60 3ium n HIS 230 Ca 0.09 -0.23 -0.11 0.00 -0.26 0.00 0.00 57.72 57.22 3ium n HIS 230 Cb 0.40 -2.75 -0.08 0.00 1.12 0.00 0.00 29.99 28.68 3ium n HIS 230 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3ium s HIS 231 N 3.72 0.02 0.15 4.41 3.76 -1.26 -5.05 115.29 121.03 3ium s HIS 231 Ca 0.87 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.57 3ium s HIS 231 Cb -0.50 0.00 -0.07 0.00 1.11 0.00 0.00 32.58 33.13 3ium s HIS 231 CO 0.42 -0.46 1.34 -0.09 -0.85 0.00 0.00 174.74 175.09 3ium h ARG 232 N 3.32 0.17 -4.09 1.40 2.43 -1.57 -0.59 114.38 115.44 3ium h ARG 232 Ca -0.32 -0.21 -0.42 0.00 -0.81 0.00 0.00 59.98 58.22 3ium h ARG 232 Cb 1.19 0.07 -0.34 0.00 -0.42 0.00 0.00 29.97 30.47 3ium h ARG 232 CO 0.48 0.99 -0.78 0.71 -1.51 0.00 0.00 179.97 179.86 3ium s TYR 233 N -3.07 0.83 0.03 2.20 2.02 0.83 -4.04 117.35 116.15 3ium s TYR 233 Ca -0.02 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3ium s TYR 233 Cb 0.10 -0.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3ium s TYR 233 CO 0.83 -0.20 -0.08 0.14 -1.57 0.00 0.00 175.55 174.67 3ium s VAL 234 N 0.87 0.60 0.04 0.71 -7.23 -1.26 0.64 120.40 114.76 3ium s VAL 234 Ca -0.12 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3ium s VAL 234 Cb -0.15 -0.60 -0.03 0.00 0.56 0.00 0.00 36.38 36.16 3ium s VAL 234 CO 0.01 -0.17 -0.03 -0.83 -0.31 0.00 0.00 175.10 173.77 3ium s GLY 235 N -1.08 0.40 -0.01 2.32 0.00 0.05 -4.81 107.32 104.18 3ium s GLY 235 Ca -0.04 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.71 3ium s GLY 235 CO 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 173.10 172.03 3ium s ALA 236 N -2.92 0.22 -0.02 3.20 0.00 -1.26 -0.91 121.76 120.07 3ium s ALA 236 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.95 3ium s ALA 236 Cb 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.01 3ium s ALA 236 CO -0.06 0.00 -0.00 0.99 0.00 0.00 0.00 175.76 176.69 3ium s THR 237 N 0.33 0.16 -0.22 0.00 2.01 -0.05 -4.53 115.64 113.34 3ium s THR 237 Ca -0.03 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 3ium s THR 237 Cb -0.05 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 3ium s THR 237 CO -0.01 0.13 0.20 -0.69 -0.69 0.00 0.00 174.62 173.56 3ium s VAL 238 N 0.84 5.34 0.88 3.82 1.01 -1.26 -0.32 120.40 130.72 3ium s VAL 238 Ca -0.08 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 3ium s VAL 238 Cb -0.12 -3.54 0.12 0.00 0.00 0.00 0.00 36.38 32.84 3ium s VAL 238 CO -0.02 0.36 1.14 0.35 0.00 0.00 0.00 175.10 176.93 3ium n THR 239 N 4.05 0.73 -0.31 3.92 -2.24 -0.01 -4.83 114.28 115.59 3ium n THR 239 Ca -0.14 -0.08 0.17 0.00 -2.27 0.00 0.00 64.05 61.72 3ium n THR 239 Cb 0.52 -1.05 0.41 0.00 -2.10 0.00 0.00 70.33 68.11 3ium n THR 239 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3ium h GLU 240 N -1.53 0.57 -0.02 -0.78 4.81 -1.96 0.77 114.58 116.44 3ium h GLU 240 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3ium h GLU 240 Cb 1.28 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3ium h GLU 240 CO 0.42 0.38 0.00 -0.40 -0.73 0.00 0.00 179.01 178.68 3ium n ASP 241 N -4.66 0.40 -0.26 1.04 5.68 -1.26 -4.90 116.55 112.59 3ium n ASP 241 Ca 0.22 -1.31 -0.03 0.00 -0.50 0.00 0.00 54.79 53.17 3ium n ASP 241 Cb 0.67 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.62 3ium n ASP 241 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3ium n ASP 242 N -0.60 -4.54 0.06 -1.12 8.00 0.26 -4.91 116.55 113.70 3ium n ASP 242 Ca 0.19 0.09 -0.22 0.00 0.71 0.00 0.00 54.79 55.55 3ium n ASP 242 Cb 0.15 -2.34 -0.15 0.00 -0.02 0.00 0.00 41.12 38.76 3ium n ASP 242 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3ium h ARG 243 N 0.32 0.36 -6.54 -1.24 2.43 -1.91 -3.45 114.38 104.36 3ium h ARG 243 Ca -0.07 -0.62 -0.69 0.00 -0.81 0.00 0.00 59.98 57.80 3ium h ARG 243 Cb 0.60 0.23 -0.22 0.00 -0.42 0.00 0.00 29.97 30.15 3ium h ARG 243 CO 0.10 1.29 -0.80 -0.06 -1.51 0.00 0.00 179.97 178.99 3ium s PHE 244 N -2.58 2.57 -0.18 2.20 0.08 -1.26 0.53 117.98 119.34 3ium s PHE 244 Ca -0.17 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 3ium s PHE 244 Cb 0.06 -1.49 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 3ium s PHE 244 CO 0.83 0.23 -0.05 -1.17 -0.10 0.00 0.00 175.22 174.97 3ium s LEU 245 N -1.31 3.04 -0.14 -0.37 2.96 -0.37 -0.83 118.68 121.65 3ium s LEU 245 Ca 0.14 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.78 3ium s LEU 245 Cb -0.10 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 3ium s LEU 245 CO 0.04 0.08 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.26 3ium s LEU 246 N 0.91 2.64 -0.18 -0.68 2.01 0.57 -0.98 118.68 122.97 3ium s LEU 246 Ca -0.01 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 53.76 3ium s LEU 246 Cb -0.15 -1.60 0.01 0.00 0.01 0.00 0.00 46.19 44.47 3ium s LEU 246 CO 0.01 0.13 -0.17 -0.63 1.01 0.00 0.00 176.35 176.70 3ium s ILE 247 N 0.56 2.33 0.00 -0.59 1.01 0.01 -0.87 121.20 123.65 3ium s ILE 247 Ca -0.08 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 3ium s ILE 247 Cb -0.16 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3ium s ILE 247 CO 0.04 0.52 0.14 -0.94 0.00 0.00 0.00 174.94 174.70 3ium s SER 248 N 1.20 6.09 -0.01 3.58 1.04 -0.09 -0.80 113.70 124.71 3ium s SER 248 Ca 0.02 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3ium s SER 248 Cb -0.14 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.16 3ium s SER 248 CO -0.09 0.26 0.01 0.00 0.98 0.00 0.00 173.24 174.40 3ium s ALA 249 N -1.29 0.09 0.17 5.32 0.00 -0.67 -0.77 121.76 124.61 3ium s ALA 249 Ca 0.26 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3ium s ALA 249 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 3ium s ALA 249 CO 0.18 -0.06 0.33 0.00 0.00 0.00 0.00 175.76 176.20 3ium s ALA 250 N 0.68 -0.18 0.00 0.00 0.00 0.21 -0.20 121.76 122.27 3ium s ALA 250 Ca -0.06 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3ium s ALA 250 Cb -0.09 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.88 3ium s ALA 250 CO -0.02 -0.67 0.16 0.09 0.00 0.00 0.00 175.76 175.32 3ium n ASN 251 N -0.23 0.31 -2.89 0.00 5.03 -1.26 -0.12 115.26 116.10 3ium n ASN 251 Ca -0.08 -0.65 -0.08 0.00 0.87 0.00 0.00 54.58 54.64 3ium n ASN 251 Cb 0.63 0.64 0.03 0.00 -1.02 0.00 0.00 39.78 40.06 3ium n ASN 251 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3ium s SER 252 N -0.64 0.03 0.00 6.41 1.04 -1.26 -4.84 113.70 114.43 3ium s SER 252 Ca 0.00 -1.15 0.22 0.00 0.48 0.00 0.00 55.95 55.50 3ium s SER 252 Cb 0.00 0.83 1.11 0.00 0.10 0.00 0.00 66.02 68.06 3ium s SER 252 CO 0.00 -1.66 1.71 0.35 0.98 0.00 0.00 173.24 174.63 3ium n THR 253 N -0.55 0.31 -3.49 2.02 -2.24 -1.26 -4.53 114.28 104.54 3ium n THR 253 Ca -0.08 0.08 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 3ium n THR 253 Cb 0.60 -0.71 -0.07 0.00 -2.10 0.00 0.00 70.33 68.04 3ium n THR 253 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3ium s SER 254 N -2.58 5.87 0.05 3.42 0.15 -1.26 -5.01 113.70 114.34 3ium s SER 254 Ca 0.21 -1.98 0.00 0.00 0.70 0.00 0.00 55.95 54.88 3ium s SER 254 Cb 0.15 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 3ium s SER 254 CO 0.34 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.68 3ium n GLY 255 N 4.87 -2.73 3.39 9.45 0.00 -1.26 -4.82 105.19 114.09 3ium n GLY 255 Ca -0.07 -1.38 -0.15 0.00 0.00 0.00 0.00 46.02 44.42 3ium n GLY 255 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ium s ASN 256 N -3.98 -0.44 0.46 1.61 4.22 -0.73 -4.63 114.94 111.45 3ium s ASN 256 Ca 0.00 0.27 -0.07 0.00 -2.14 0.00 0.00 52.86 50.92 3ium s ASN 256 Cb 0.00 0.47 -0.04 0.00 1.28 0.00 0.00 41.25 42.95 3ium s ASN 256 CO 0.00 -0.64 0.79 -0.13 -2.04 0.00 0.00 177.10 175.07 3ium s ARG 257 N -1.97 3.61 -0.08 3.55 0.52 0.72 -4.59 118.95 120.72 3ium s ARG 257 Ca -0.08 0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 55.37 3ium s ARG 257 Cb -0.01 -2.37 0.03 0.00 0.52 0.00 0.00 34.95 33.11 3ium s ARG 257 CO 0.02 -0.16 0.20 -1.17 0.02 0.00 0.00 175.30 174.20 3ium s LEU 258 N -4.48 1.01 0.11 2.53 2.96 -0.50 -1.67 118.68 118.64 3ium s LEU 258 Ca 0.49 0.41 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 3ium s LEU 258 Cb -0.10 0.64 -0.04 0.00 0.50 0.00 0.00 46.19 47.19 3ium s LEU 258 CO 0.41 -0.10 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.90 3ium s TYR 259 N 0.48 1.26 0.03 5.38 2.02 0.02 -0.53 117.35 126.01 3ium s TYR 259 Ca -0.03 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.13 3ium s TYR 259 Cb -0.05 -0.68 -0.02 0.00 -0.40 0.00 0.00 41.96 40.82 3ium s TYR 259 CO -0.02 0.09 -0.10 0.54 -1.57 0.00 0.00 175.55 174.48 3ium s VAL 260 N -2.07 0.76 -0.05 0.71 0.11 -0.28 -0.81 120.40 118.77 3ium s VAL 260 Ca 0.06 -0.88 0.01 0.00 -2.93 0.00 0.00 61.98 58.24 3ium s VAL 260 Cb -0.05 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3ium s VAL 260 CO 0.02 -0.12 -0.04 -0.75 -3.33 0.00 0.00 175.10 170.87 3ium s LYS 261 N -1.12 0.85 -0.47 1.54 2.20 -0.15 -0.69 119.74 121.90 3ium s LYS 261 Ca -0.03 -0.10 -0.27 0.00 -0.36 0.00 0.00 55.97 55.22 3ium s LYS 261 Cb -0.08 -0.88 0.03 0.00 -1.51 0.00 0.00 37.83 35.39 3ium s LYS 261 CO 0.01 -0.10 1.02 0.34 -0.36 0.00 0.00 175.35 176.26 3ium s ASP 262 N 1.03 6.55 0.14 1.43 -1.08 -1.26 -1.24 116.67 122.25 3ium s ASP 262 Ca -0.09 0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.45 3ium s ASP 262 Cb -0.14 -2.50 0.94 0.00 -1.46 0.00 0.00 42.92 39.77 3ium s ASP 262 CO -0.01 -1.15 1.80 0.18 0.52 0.00 0.00 175.17 176.51 3ium n LEU 263 N 7.50 0.52 0.00 -1.34 4.77 0.19 -3.02 117.00 125.61 3ium n LEU 263 Ca 0.09 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.74 3ium n LEU 263 Cb 0.49 -0.41 0.61 0.00 -2.33 0.00 0.00 43.42 41.78 3ium n LEU 263 CO 0.68 -0.18 0.85 -1.54 -1.33 0.00 0.00 177.39 175.87 3ium n SER 264 N -2.00 0.00 -4.34 -1.43 3.41 -1.23 -4.71 113.62 103.32 3ium n SER 264 Ca 0.05 -0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 58.02 3ium n SER 264 Cb 0.37 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 3ium n SER 264 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ium s GLN 265 N -2.27 1.30 0.03 4.33 -0.21 -1.17 -5.11 119.66 116.56 3ium s GLN 265 Ca 0.28 -1.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 3ium s GLN 265 Cb 0.15 -1.66 -0.05 0.00 1.00 0.00 0.00 33.01 32.45 3ium s GLN 265 CO 0.29 0.39 1.24 -1.21 -2.12 0.00 0.00 175.29 173.89 3ium s GLU 266 N -1.92 4.39 -1.45 2.91 2.02 -1.26 -3.75 118.70 119.64 3ium s GLU 266 Ca 0.10 1.80 -0.08 0.00 0.02 0.00 0.00 54.97 56.81 3ium s GLU 266 Cb -0.10 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.73 3ium s GLU 266 CO 0.05 -0.35 0.21 0.09 0.02 0.00 0.00 175.26 175.28 3ium n ASN 267 N 4.37 -0.43 -4.77 -0.19 4.13 -1.26 -4.89 115.26 112.22 3ium n ASN 267 Ca 0.10 -1.25 -0.39 0.00 1.68 0.00 0.00 54.58 54.72 3ium n ASN 267 Cb 0.46 -1.81 -0.03 0.00 -1.54 0.00 0.00 39.78 36.85 3ium n ASN 267 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ium s ALA 268 N -4.13 3.26 0.83 5.41 0.00 -1.25 -5.02 121.76 120.86 3ium s ALA 268 Ca 0.12 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 3ium s ALA 268 Cb -0.06 -3.34 0.09 0.00 0.00 0.00 0.00 23.12 19.81 3ium s ALA 268 CO 0.98 -0.32 1.17 -1.25 0.00 0.00 0.00 175.76 176.34 3ium s PRO 269 N -1.99 1.78 0.18 0.00 0.04 -1.26 -4.85 135.00 128.90 3ium s PRO 269 Ca 0.52 0.16 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 3ium s PRO 269 Cb -0.30 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 3ium s PRO 269 CO 0.38 -1.73 0.83 -0.51 0.04 0.00 0.00 177.00 176.01 3ium s LEU 270 N -5.68 4.59 0.02 -3.56 1.43 -1.26 -4.60 118.68 109.62 3ium s LEU 270 Ca 0.62 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 3ium s LEU 270 Cb -0.12 -3.40 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 3ium s LEU 270 CO 0.50 0.16 -0.09 -0.76 0.23 0.00 0.00 176.35 176.40 3ium s LEU 271 N -1.00 3.06 -0.35 1.79 1.02 0.14 -4.93 118.68 118.40 3ium s LEU 271 Ca 0.38 -0.21 -0.26 0.00 0.02 0.00 0.00 54.13 54.06 3ium s LEU 271 Cb -0.24 -1.77 0.01 0.00 0.02 0.00 0.00 46.19 44.21 3ium s LEU 271 CO 0.28 0.27 0.92 -0.89 0.02 0.00 0.00 176.35 176.95 3ium s THR 272 N -1.00 4.61 -0.03 5.49 2.01 -1.26 -1.12 115.64 124.33 3ium s THR 272 Ca 0.17 1.24 -0.15 0.00 0.31 0.00 0.00 61.69 63.26 3ium s THR 272 Cb -0.11 -4.31 -0.32 0.00 0.01 0.00 0.00 72.50 67.76 3ium s THR 272 CO 0.08 -0.49 0.81 0.58 -0.69 0.00 0.00 174.62 174.90 3ium h VAL 273 N 5.78 1.17 -2.68 3.82 2.07 -1.04 -3.28 116.25 122.08 3ium h VAL 273 Ca -0.23 -2.57 -0.14 0.00 0.82 0.00 0.00 66.70 64.58 3ium h VAL 273 Cb 1.08 2.93 -0.29 0.00 -1.52 0.00 0.00 31.29 33.49 3ium h VAL 273 CO 0.97 0.80 -0.42 -1.58 0.02 0.00 0.00 177.57 177.36 3ium s GLN 274 N -2.55 0.27 0.00 1.57 0.74 -0.90 -3.28 119.66 115.52 3ium s GLN 274 Ca -0.14 0.87 0.24 0.00 0.05 0.00 0.00 55.36 56.38 3ium s GLN 274 Cb 0.04 0.13 0.39 0.00 1.10 0.00 0.00 33.01 34.67 3ium s GLN 274 CO 0.87 -0.24 1.38 0.41 -0.55 0.00 0.00 175.29 177.16 3ium n GLY 275 N 5.11 1.56 3.56 2.59 0.00 -1.26 -1.41 105.19 115.34 3ium n GLY 275 Ca -0.11 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 3ium n GLY 275 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ium s ASP 276 N -1.60 3.19 -0.29 1.61 1.47 -1.26 -4.97 116.67 114.83 3ium s ASP 276 Ca 0.37 -1.46 0.11 0.00 1.18 0.00 0.00 52.55 52.75 3ium s ASP 276 Cb 0.22 -0.00 0.62 0.00 -0.34 0.00 0.00 42.92 43.41 3ium s ASP 276 CO 0.31 -0.64 1.62 0.18 0.68 0.00 0.00 175.17 177.32 3ium n LEU 277 N -0.90 5.00 -0.10 2.11 4.77 -1.26 -3.90 117.00 122.72 3ium n LEU 277 Ca -0.06 -3.35 0.15 0.00 -0.03 0.00 0.00 56.01 52.71 3ium n LEU 277 Cb 0.67 -0.67 0.80 0.00 -2.33 0.00 0.00 43.42 41.89 3ium n LEU 277 CO 0.43 0.91 1.02 0.47 -1.33 0.00 0.00 177.39 178.90 3ium n ASP 278 N -0.61 0.30 -3.54 -1.43 8.00 -1.26 -4.23 116.55 113.78 3ium n ASP 278 Ca 0.35 -1.17 -0.10 0.00 0.71 0.00 0.00 54.79 54.59 3ium n ASP 278 Cb 1.18 -0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 42.24 3ium n ASP 278 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ium s ALA 279 N -1.99 -1.88 0.05 2.24 0.00 -1.26 -4.93 121.76 113.99 3ium s ALA 279 Ca 0.43 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.49 3ium s ALA 279 Cb 0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 3ium s ALA 279 CO 0.34 -0.49 0.65 -0.51 0.00 0.00 0.00 175.76 175.74 3ium s ASP 280 N -1.76 7.10 -0.12 0.00 1.01 -1.26 -1.77 116.67 119.87 3ium s ASP 280 Ca 0.01 1.31 -0.07 0.00 0.71 0.00 0.00 52.55 54.50 3ium s ASP 280 Cb -0.01 -2.40 0.04 0.00 1.01 0.00 0.00 42.92 41.57 3ium s ASP 280 CO -0.03 0.14 0.29 0.54 0.21 0.00 0.00 175.17 176.33 3ium s VAL 281 N -0.50 -0.03 0.03 -1.27 0.11 -1.26 -2.04 120.40 115.45 3ium s VAL 281 Ca 0.33 0.10 -0.02 0.00 -2.93 0.00 0.00 61.98 59.45 3ium s VAL 281 Cb -0.20 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 3ium s VAL 281 CO 0.20 0.04 0.00 -0.94 -3.33 0.00 0.00 175.10 171.07 3ium s SER 282 N 1.00 0.29 0.17 3.54 1.04 0.46 -4.92 113.70 115.28 3ium s SER 282 Ca -0.07 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 3ium s SER 282 Cb -0.08 0.16 -0.07 0.00 0.10 0.00 0.00 66.02 66.13 3ium s SER 282 CO -0.07 -0.44 1.02 -0.22 0.98 0.00 0.00 173.24 174.51 3ium s LEU 283 N -2.05 4.53 -0.20 2.42 2.96 -1.26 -0.43 118.68 124.64 3ium s LEU 283 Ca -0.06 1.96 -0.09 0.00 -0.22 0.00 0.00 54.13 55.72 3ium s LEU 283 Cb -0.02 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.97 3ium s LEU 283 CO -0.04 -0.09 -0.25 0.52 -1.32 0.00 0.00 176.35 175.17 3ium n VAL 284 N 2.31 1.11 -3.87 1.68 0.31 0.30 -4.87 118.33 115.30 3ium n VAL 284 Ca 0.01 -0.30 0.04 0.00 -0.01 0.00 0.00 64.34 64.09 3ium n VAL 284 Cb 0.47 -1.70 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 3ium n VAL 284 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3ium s ASP 285 N -6.71 -0.00 0.17 4.52 2.15 -1.18 -4.95 116.67 110.67 3ium s ASP 285 Ca -0.28 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 52.72 3ium s ASP 285 Cb 0.10 0.02 -0.05 0.00 -0.30 0.00 0.00 42.92 42.69 3ium s ASP 285 CO 0.37 -0.03 -0.06 0.54 -0.17 0.00 0.00 175.17 175.81 3ium s ASN 286 N -3.63 1.73 -0.19 -0.34 4.22 -1.26 0.12 114.94 115.59 3ium s ASN 286 Ca 0.26 -1.09 -0.04 0.00 -2.14 0.00 0.00 52.86 49.85 3ium s ASN 286 Cb 0.03 0.01 0.08 0.00 1.28 0.00 0.00 41.25 42.65 3ium s ASN 286 CO -0.04 -0.41 0.19 -0.75 -2.04 0.00 0.00 177.10 174.04 3ium s LYS 287 N -3.80 0.15 7.27 3.55 2.36 -0.35 -4.96 119.74 123.95 3ium s LYS 287 Ca 0.21 0.15 0.00 0.00 -2.55 0.00 0.00 55.97 53.78 3ium s LYS 287 Cb 0.04 -1.32 0.00 0.00 -1.05 0.00 0.00 37.83 35.50 3ium s LYS 287 CO 0.03 -0.64 0.00 0.41 1.55 0.00 0.00 175.35 176.70 3ium n GLY 288 N 5.31 3.00 0.79 5.54 0.00 -1.26 -1.38 105.19 117.19 3ium n GLY 288 Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3ium n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ium n SER 289 N 4.50 2.42 -4.70 1.61 3.41 -1.26 -4.90 113.62 114.70 3ium n SER 289 Ca 0.00 -1.80 -0.41 0.00 -0.26 0.00 0.00 58.87 56.40 3ium n SER 289 Cb 0.00 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 63.83 3ium n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ium s THR 290 N -1.85 4.95 -0.12 6.66 2.01 -0.48 -0.81 115.64 126.00 3ium s THR 290 Ca 0.34 1.64 -0.10 0.00 0.31 0.00 0.00 61.69 63.88 3ium s THR 290 Cb 0.20 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3ium s THR 290 CO 0.30 0.16 0.20 -0.76 -0.69 0.00 0.00 174.62 173.83 3ium s LEU 291 N 1.29 4.35 -0.24 4.42 1.43 0.03 -1.21 118.68 128.75 3ium s LEU 291 Ca 0.41 0.51 -0.07 0.00 -1.03 0.00 0.00 54.13 53.94 3ium s LEU 291 Cb -0.18 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 3ium s LEU 291 CO 0.18 0.31 0.07 -0.31 0.23 0.00 0.00 176.35 176.83 3ium s TYR 292 N -0.54 3.10 0.05 0.29 2.02 0.12 -2.28 117.35 120.11 3ium s TYR 292 Ca 0.15 -0.37 0.07 0.00 -0.37 0.00 0.00 57.07 56.55 3ium s TYR 292 Cb -0.13 -2.21 -0.03 0.00 -0.40 0.00 0.00 41.96 39.20 3ium s TYR 292 CO 0.04 -0.30 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.03 3ium s LEU 293 N 1.45 2.19 -0.14 -1.29 1.43 0.16 -0.54 118.68 121.93 3ium s LEU 293 Ca 0.06 -0.53 -0.04 0.00 -1.03 0.00 0.00 54.13 52.58 3ium s LEU 293 Cb -0.15 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 3ium s LEU 293 CO 0.03 0.10 0.00 -0.22 0.23 0.00 0.00 176.35 176.49 3ium s LEU 294 N -1.29 3.52 0.16 1.79 2.96 0.42 -0.58 118.68 125.67 3ium s LEU 294 Ca 0.05 0.02 -0.17 0.00 -0.22 0.00 0.00 54.13 53.82 3ium s LEU 294 Cb -0.09 -1.85 0.03 0.00 0.50 0.00 0.00 46.19 44.79 3ium s LEU 294 CO 0.02 0.24 0.46 0.28 -1.32 0.00 0.00 176.35 176.03 3ium s THR 295 N -0.05 0.05 -0.20 3.68 -1.32 -0.67 -0.40 115.64 116.72 3ium s THR 295 Ca 0.04 -0.69 0.12 0.00 -1.21 0.00 0.00 61.69 59.95 3ium s THR 295 Cb -0.13 -1.38 0.26 0.00 -1.51 0.00 0.00 72.50 69.74 3ium s THR 295 CO 0.02 -0.21 1.17 -0.46 -2.21 0.00 0.00 174.62 172.93 3ium n ASN 296 N -0.28 2.62 -4.63 8.08 6.94 -0.86 -1.17 115.26 125.96 3ium n ASN 296 Ca -0.13 -2.65 -0.43 0.00 -0.02 0.00 0.00 54.58 51.35 3ium n ASN 296 Cb 0.63 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.71 3ium n ASN 296 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3ium s ARG 297 N -2.13 3.82 -1.56 -3.83 3.52 -1.26 -2.03 118.95 115.48 3ium s ARG 297 Ca 0.24 1.70 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 3ium s ARG 297 Cb 0.20 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3ium s ARG 297 CO 0.05 -1.26 0.00 -0.25 -0.81 0.00 0.00 175.30 173.02 3ium n ASP 298 N 8.36 -5.20 -2.96 -2.12 8.00 -1.26 -4.94 116.55 116.43 3ium n ASP 298 Ca 0.19 0.02 -0.01 0.00 0.71 0.00 0.00 54.79 55.70 3ium n ASP 298 Cb 0.45 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.28 3ium n ASP 298 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ium s ALA 299 N -2.87 -2.83 0.44 2.24 0.00 -0.86 -5.03 121.76 112.85 3ium s ALA 299 Ca 0.00 0.24 0.21 0.00 0.00 0.00 0.00 51.96 52.41 3ium s ALA 299 Cb 0.00 -2.80 1.18 0.00 0.00 0.00 0.00 23.12 21.50 3ium s ALA 299 CO 0.00 -2.30 1.85 -1.35 0.00 0.00 0.00 175.76 173.96 3ium h PRO 300 N 5.93 0.30 -0.35 0.00 0.11 -1.93 0.40 132.00 136.46 3ium h PRO 300 Ca 0.03 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3ium h PRO 300 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ium h PRO 300 CO 0.03 0.20 0.00 0.09 -0.21 0.00 0.00 178.00 178.11 3ium n ASN 301 N -4.47 2.01 -0.90 -2.05 3.02 -1.26 -4.99 115.26 106.63 3ium n ASN 301 Ca 0.20 -1.96 0.10 0.00 -0.03 0.00 0.00 54.58 52.90 3ium n ASN 301 Cb 0.80 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 39.68 3ium n ASN 301 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ium n ARG 302 N 0.59 -2.10 -3.74 3.52 1.74 0.14 -0.77 116.66 116.03 3ium n ARG 302 Ca 0.13 1.72 -0.10 0.00 -0.77 0.00 0.00 57.85 58.84 3ium n ARG 302 Cb 0.33 -2.42 -0.05 0.00 -1.02 0.00 0.00 32.46 29.30 3ium n ARG 302 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3ium s ARG 303 N -3.90 1.15 -0.22 5.56 1.70 -0.32 -4.18 118.95 118.75 3ium s ARG 303 Ca 0.00 -0.86 -0.04 0.00 -0.47 0.00 0.00 55.73 54.36 3ium s ARG 303 Cb 0.00 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 3ium s ARG 303 CO 0.00 -0.45 -0.03 -1.17 -1.08 0.00 0.00 175.30 172.57 3ium s LEU 304 N -2.86 2.99 0.42 -1.89 2.96 -0.67 -1.68 118.68 117.95 3ium s LEU 304 Ca 0.07 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.70 3ium s LEU 304 Cb 0.02 -1.77 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 3ium s LEU 304 CO -0.07 -0.02 0.04 0.68 -1.32 0.00 0.00 176.35 175.67 3ium s VAL 305 N 1.46 2.02 0.12 1.68 -7.23 0.26 -0.48 120.40 118.22 3ium s VAL 305 Ca 0.05 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 3ium s VAL 305 Cb -0.14 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 3ium s VAL 305 CO -0.02 0.00 -0.11 0.42 -0.31 0.00 0.00 175.10 175.08 3ium s THR 306 N -2.70 1.07 -0.19 5.32 -4.23 -0.01 -0.67 115.64 114.23 3ium s THR 306 Ca 0.35 -1.81 -0.29 0.00 -1.18 0.00 0.00 61.69 58.76 3ium s THR 306 Cb 0.08 -1.56 0.12 0.00 1.34 0.00 0.00 72.50 72.48 3ium s THR 306 CO 0.18 -0.61 0.98 0.54 -0.54 0.00 0.00 174.62 175.16 3ium s VAL 307 N -2.74 0.00 0.23 2.29 0.11 -0.96 -0.96 120.40 118.36 3ium s VAL 307 Ca 0.10 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 3ium s VAL 307 Cb -0.01 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.75 3ium s VAL 307 CO 0.00 0.00 1.16 -0.62 -3.33 0.00 0.00 175.10 172.32 3ium s ASP 308 N -0.67 7.14 0.51 3.54 2.15 -1.26 -0.79 116.67 127.29 3ium s ASP 308 Ca -0.01 2.28 0.17 0.00 0.43 0.00 0.00 52.55 55.42 3ium s ASP 308 Cb -0.02 -2.62 1.26 0.00 -0.30 0.00 0.00 42.92 41.25 3ium s ASP 308 CO -0.00 -0.29 2.13 0.00 -0.17 0.00 0.00 175.17 176.84 3ium h ALA 309 N 4.53 1.92 0.00 3.66 0.00 -1.34 -1.92 119.26 126.11 3ium h ALA 309 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ium h ALA 309 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3ium h ALA 309 CO 0.71 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3ium n ALA 310 N -2.52 1.57 -2.73 0.00 0.00 -1.26 -3.89 120.51 111.68 3ium n ALA 310 Ca -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3ium n ALA 310 Cb 0.11 -1.31 0.07 0.00 0.00 0.00 0.00 19.45 18.32 3ium n ALA 310 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ium n ASN 311 N -1.96 -2.42 0.00 0.00 5.15 -0.78 -5.05 115.26 110.19 3ium n ASN 311 Ca 0.02 -3.12 0.07 0.00 -0.60 0.00 0.00 54.58 50.96 3ium n ASN 311 Cb 0.18 1.67 0.41 0.00 -0.53 0.00 0.00 39.78 41.52 3ium n ASN 311 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3ium n PRO 312 N 1.20 0.85 -1.28 1.20 -0.04 -0.83 -4.55 135.00 131.54 3ium n PRO 312 Ca 0.06 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.18 3ium n PRO 312 Cb 0.67 -1.26 0.11 0.00 -0.04 0.00 0.00 33.50 32.98 3ium n PRO 312 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ium s GLY 313 N -1.59 2.23 0.31 0.55 0.00 -1.24 -4.52 107.32 103.06 3ium s GLY 313 Ca 0.21 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.83 3ium s GLY 313 CO 0.16 1.25 1.69 -2.55 0.00 0.00 0.00 173.10 173.65 3ium h PRO 314 N -0.61 0.37 0.00 2.90 0.11 -1.87 0.43 132.00 133.33 3ium h PRO 314 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3ium h PRO 314 Cb 1.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ium h PRO 314 CO 0.48 0.25 0.01 0.00 -0.21 0.00 0.00 178.00 178.53 3ium h ALA 315 N 1.75 1.01 -0.04 -0.75 0.00 -1.93 -1.66 119.26 117.65 3ium h ALA 315 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3ium h ALA 315 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ium h ALA 315 CO -0.56 -0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.41 3ium n HIS 316 N -3.06 0.01 -2.33 0.00 8.25 0.14 -4.96 115.22 113.26 3ium n HIS 316 Ca -0.03 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 3ium n HIS 316 Cb 0.08 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 3ium n HIS 316 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3ium s TRP 317 N -1.82 3.37 -0.08 4.41 0.51 -0.63 -4.70 118.94 120.01 3ium s TRP 317 Ca 0.26 1.42 0.03 0.00 -2.12 0.00 0.00 56.10 55.70 3ium s TRP 317 Cb 0.18 -3.47 0.00 0.00 -0.81 0.00 0.00 33.47 29.38 3ium s TRP 317 CO 0.28 -1.32 -0.20 1.03 -0.51 0.00 0.00 176.95 176.23 3ium s ARG 318 N -0.57 2.49 0.27 4.98 1.81 -0.14 -4.93 118.95 122.87 3ium s ARG 318 Ca 0.52 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.52 3ium s ARG 318 Cb -0.34 -1.94 -0.12 0.00 -0.45 0.00 0.00 34.95 32.10 3ium s ARG 318 CO 0.39 0.14 1.62 -0.25 -0.68 0.00 0.00 175.30 176.52 3ium n ASP 319 N 3.58 3.85 -0.08 0.23 8.00 -1.26 -0.83 116.55 130.03 3ium n ASP 319 Ca -0.20 1.13 -0.12 0.00 0.71 0.00 0.00 54.79 56.30 3ium n ASP 319 Cb 0.52 -1.58 -0.07 0.00 -0.02 0.00 0.00 41.12 39.97 3ium n ASP 319 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3ium n LEU 320 N 2.61 2.68 -3.75 0.64 7.94 0.36 -4.81 117.00 122.67 3ium n LEU 320 Ca 0.11 -0.04 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 3ium n LEU 320 Cb 0.36 -0.53 -0.15 0.00 0.53 0.00 0.00 43.42 43.63 3ium n LEU 320 CO 0.64 0.69 -0.31 -0.63 -1.11 0.00 0.00 177.39 176.67 3ium s ILE 321 N -2.31 1.12 0.84 1.96 1.01 -0.57 -4.83 121.20 118.41 3ium s ILE 321 Ca -0.21 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.58 3ium s ILE 321 Cb 0.06 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.80 3ium s ILE 321 CO 0.35 -0.72 1.16 -2.84 0.00 0.00 0.00 174.94 172.89 3ium s PRO 322 N 1.28 1.53 0.82 2.79 0.02 -1.26 -1.67 135.00 138.51 3ium s PRO 322 Ca 0.12 1.59 -0.13 0.00 0.02 0.00 0.00 61.00 62.59 3ium s PRO 322 Cb -0.19 -1.78 0.08 0.00 0.02 0.00 0.00 34.50 32.63 3ium s PRO 322 CO -0.18 -2.26 1.17 -1.91 -0.33 0.00 0.00 177.00 173.49 3ium n GLU 323 N -3.64 0.12 -2.31 5.54 2.13 -1.26 -4.84 120.64 116.38 3ium n GLU 323 Ca 0.12 0.12 -0.03 0.00 0.66 0.00 0.00 57.16 58.03 3ium n GLU 323 Cb 0.51 -2.41 -0.01 0.00 0.27 0.00 0.00 31.44 29.81 3ium n GLU 323 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3ium n ARG 324 N -3.27 0.51 0.20 5.31 1.74 -1.26 -5.04 116.66 114.85 3ium n ARG 324 Ca 0.13 -0.45 0.09 0.00 -0.77 0.00 0.00 57.85 56.85 3ium n ARG 324 Cb 0.51 0.30 0.19 0.00 -1.02 0.00 0.00 32.46 32.44 3ium n ARG 324 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3ium h GLN 325 N 0.00 0.00 -5.87 5.56 4.15 -1.96 -3.44 115.11 113.55 3ium h GLN 325 Ca -0.04 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.73 3ium h GLN 325 Cb 0.16 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.77 3ium h GLN 325 CO 0.06 0.19 -0.54 -0.65 -1.93 0.00 0.00 178.83 175.96 3ium s GLN 326 N -3.20 3.24 0.23 1.69 1.11 -1.26 -4.69 119.66 116.77 3ium s GLN 326 Ca 0.05 -0.36 -0.31 0.00 0.01 0.00 0.00 55.36 54.75 3ium s GLN 326 Cb 0.07 -2.98 -0.11 0.00 -1.01 0.00 0.00 33.01 28.97 3ium s GLN 326 CO 0.68 0.69 1.60 0.08 0.01 0.00 0.00 175.29 178.34 3ium s VAL 327 N -1.17 2.29 0.07 1.09 1.01 -1.26 -4.88 120.40 117.55 3ium s VAL 327 Ca 0.22 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.33 3ium s VAL 327 Cb -0.12 -3.15 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 3ium s VAL 327 CO 0.12 0.03 0.40 -0.22 0.00 0.00 0.00 175.10 175.43 3ium s LEU 328 N 0.37 4.36 -0.01 3.92 2.96 0.05 -4.54 118.68 125.79 3ium s LEU 328 Ca 0.67 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 3ium s LEU 328 Cb -0.46 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.29 3ium s LEU 328 CO 0.39 0.18 0.00 -0.89 -1.32 0.00 0.00 176.35 174.71 3ium s THR 329 N -1.38 0.05 0.03 3.68 2.01 -0.98 -4.87 115.64 114.19 3ium s THR 329 Ca 0.32 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.45 3ium s THR 329 Cb -0.14 -0.09 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 3ium s THR 329 CO 0.18 0.05 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.20 3ium s VAL 330 N 0.33 2.15 0.10 3.82 1.01 -1.26 -0.32 120.40 126.23 3ium s VAL 330 Ca -0.03 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.66 3ium s VAL 330 Cb -0.05 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3ium s VAL 330 CO -0.01 0.40 -0.12 -1.00 0.00 0.00 0.00 175.10 174.38 3ium s HIS 331 N -0.77 1.19 0.02 5.22 3.76 0.28 -4.95 115.29 120.03 3ium s HIS 331 Ca 0.12 -0.59 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 3ium s HIS 331 Cb -0.10 -0.64 -0.01 0.00 1.11 0.00 0.00 32.58 32.94 3ium s HIS 331 CO 0.02 0.06 -0.05 -1.54 -0.85 0.00 0.00 174.74 172.37 3ium s SER 332 N -2.33 0.61 -0.29 1.40 1.04 -1.24 0.64 113.70 113.53 3ium s SER 332 Ca 0.05 -0.30 -0.30 0.00 0.48 0.00 0.00 55.95 55.89 3ium s SER 332 Cb -0.05 -0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.26 3ium s SER 332 CO 0.01 -0.08 1.37 -0.83 0.98 0.00 0.00 173.24 174.70 3ium s GLY 333 N -0.79 0.08 -1.30 7.32 0.00 -0.86 -1.37 107.32 110.40 3ium s GLY 333 Ca -0.04 2.80 0.00 0.00 0.00 0.00 0.00 44.72 47.47 3ium s GLY 333 CO -0.00 1.08 0.00 1.44 0.00 0.00 0.00 173.10 175.62 3ium n SER 334 N 0.48 -4.08 0.00 1.64 7.64 0.11 -1.13 113.62 118.29 3ium n SER 334 Ca 0.00 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3ium n SER 334 Cb 0.59 -3.56 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 3ium n SER 334 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ium n GLY 335 N -0.63 0.50 3.26 0.23 0.00 -1.17 -4.92 105.19 102.46 3ium n GLY 335 Ca -0.16 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 3ium n GLY 335 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ium s TYR 336 N -2.00 1.30 -0.13 1.61 2.02 -0.28 -4.31 117.35 115.56 3ium s TYR 336 Ca 0.00 -0.78 -0.01 0.00 -0.37 0.00 0.00 57.07 55.91 3ium s TYR 336 Cb 0.00 -0.67 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3ium s TYR 336 CO 0.00 0.07 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.43 3ium s LEU 337 N -3.18 2.87 -0.22 -1.29 1.43 0.10 -2.03 118.68 116.36 3ium s LEU 337 Ca 0.18 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 3ium s LEU 337 Cb 0.03 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3ium s LEU 337 CO 0.01 0.19 -0.07 -0.36 0.23 0.00 0.00 176.35 176.35 3ium s PHE 338 N 0.19 2.96 -0.26 0.29 0.08 0.21 -0.38 117.98 121.08 3ium s PHE 338 Ca -0.06 -1.27 -0.15 0.00 0.12 0.00 0.00 56.93 55.57 3ium s PHE 338 Cb -0.15 -2.06 -0.04 0.00 -0.57 0.00 0.00 43.02 40.20 3ium s PHE 338 CO 0.04 -0.66 0.38 0.00 -0.10 0.00 0.00 175.22 174.89 3ium s ALA 339 N 1.40 3.57 -0.11 5.36 0.00 -0.01 -0.55 121.76 131.41 3ium s ALA 339 Ca 0.04 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3ium s ALA 339 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 3ium s ALA 339 CO -0.05 -0.59 -0.06 -2.00 0.00 0.00 0.00 175.76 173.06 3ium s GLU 340 N 1.93 3.19 0.00 0.00 2.12 0.56 -0.87 118.70 125.64 3ium s GLU 340 Ca 0.16 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.94 3ium s GLU 340 Cb -0.16 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.50 3ium s GLU 340 CO 0.09 0.46 0.00 0.66 -0.54 0.00 0.00 175.26 175.93 3ium n TYR 341 N 2.86 0.00 0.00 5.30 4.01 0.09 -2.31 117.16 127.12 3ium n TYR 341 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 3ium n TYR 341 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 3ium n TYR 341 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3ium n VAL 343 N 0.00 0.00 -3.45 -0.72 0.31 0.16 -1.33 118.33 113.31 3ium n VAL 343 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 3ium n VAL 343 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 3ium n VAL 343 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ium n ASP 344 N 0.00 -5.65 0.00 4.52 8.00 -1.26 -1.18 116.55 120.98 3ium n ASP 344 Ca 0.00 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3ium n ASP 344 Cb 0.00 -4.52 0.00 0.00 -0.02 0.00 0.00 41.12 36.58 3ium n ASP 344 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ium n ALA 345 N -4.27 0.00 -2.62 2.24 0.00 -1.26 -4.99 120.51 109.60 3ium n ALA 345 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 3ium n ALA 345 Cb 0.57 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 3ium n ALA 345 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ium s THR 346 N -2.76 3.46 0.49 0.00 -4.23 -0.32 -4.27 115.64 107.99 3ium s THR 346 Ca 0.00 -1.63 -0.22 0.00 -1.18 0.00 0.00 61.69 58.66 3ium s THR 346 Cb 0.00 -2.76 -0.07 0.00 1.34 0.00 0.00 72.50 71.01 3ium s THR 346 CO 0.00 -0.18 1.16 0.00 -0.54 0.00 0.00 174.62 175.07 3ium s ALA 347 N -1.87 2.89 -0.07 3.99 0.00 0.38 0.40 121.76 127.49 3ium s ALA 347 Ca 0.27 0.92 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 3ium s ALA 347 Cb -0.08 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.68 3ium s ALA 347 CO 0.18 -0.72 0.17 1.03 0.00 0.00 0.00 175.76 176.42 3ium s ARG 348 N -2.86 0.16 -0.08 0.00 1.81 -0.44 -4.78 118.95 112.75 3ium s ARG 348 Ca 0.66 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 55.01 3ium s ARG 348 Cb -0.28 -0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.19 3ium s ARG 348 CO 0.33 -0.10 -0.06 0.08 -0.68 0.00 0.00 175.30 174.87 3ium s VAL 349 N 0.71 0.76 -0.07 3.52 1.01 -1.26 -0.73 120.40 124.34 3ium s VAL 349 Ca -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.77 3ium s VAL 349 Cb -0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3ium s VAL 349 CO -0.04 0.30 -0.14 -1.61 0.00 0.00 0.00 175.10 173.62 3ium s GLU 350 N 1.37 2.74 -0.16 2.72 2.02 -0.04 0.71 118.70 128.06 3ium s GLU 350 Ca -0.03 -0.69 -0.09 0.00 0.02 0.00 0.00 54.97 54.18 3ium s GLU 350 Cb -0.14 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 3ium s GLU 350 CO -0.03 0.52 0.16 -1.14 0.02 0.00 0.00 175.26 174.78 3ium s GLN 351 N -0.45 3.91 0.07 1.61 0.74 0.03 -0.83 119.66 124.74 3ium s GLN 351 Ca 0.06 -0.14 0.05 0.00 0.05 0.00 0.00 55.36 55.37 3ium s GLN 351 Cb -0.12 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 3ium s GLN 351 CO 0.02 0.48 -0.13 -0.06 -0.55 0.00 0.00 175.29 175.05 3ium s PHE 352 N -0.18 1.12 0.81 1.67 0.08 0.49 -0.93 117.98 121.03 3ium s PHE 352 Ca 0.12 -0.47 -0.05 0.00 0.12 0.00 0.00 56.93 56.65 3ium s PHE 352 Cb -0.12 -0.63 0.16 0.00 -0.57 0.00 0.00 43.02 41.86 3ium s PHE 352 CO 0.01 0.03 1.11 0.16 -0.10 0.00 0.00 175.22 176.43 3ium s ASP 353 N -1.73 3.87 0.00 1.36 1.47 -0.83 0.00 116.67 120.82 3ium s ASP 353 Ca -0.03 -0.27 0.22 0.00 1.18 0.00 0.00 52.55 53.65 3ium s ASP 353 Cb -0.10 0.05 1.28 0.00 -0.34 0.00 0.00 42.92 43.82 3ium s ASP 353 CO 0.02 -2.20 1.70 -1.22 0.68 0.00 0.00 175.17 174.15 3ium n TYR 354 N -3.14 0.00 0.71 2.11 4.02 -1.26 -2.65 117.16 116.96 3ium n TYR 354 Ca 0.16 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.15 3ium n TYR 354 Cb 0.60 -0.05 0.10 0.00 -0.02 0.00 0.00 39.34 39.97 3ium n TYR 354 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3ium n GLU 355 N -1.05 1.86 -0.07 -0.72 4.71 -1.26 -4.97 120.64 119.13 3ium n GLU 355 Ca 0.15 -1.76 0.00 0.00 -0.01 0.00 0.00 57.16 55.54 3ium n GLU 355 Cb 0.09 -1.39 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 3ium n GLU 355 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ium n GLY 356 N 1.14 0.48 3.71 0.62 0.00 -1.08 -5.06 105.19 104.99 3ium n GLY 356 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ium n GLY 356 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ium s LYS 357 N -0.89 4.46 -0.73 1.61 2.20 -1.26 -4.85 119.74 120.29 3ium s LYS 357 Ca 0.00 1.68 -0.27 0.00 -0.36 0.00 0.00 55.97 57.02 3ium s LYS 357 Cb 0.00 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 32.97 3ium s LYS 357 CO 0.00 -0.21 1.27 0.50 -0.36 0.00 0.00 175.35 176.55 3ium s ARG 358 N 1.09 3.22 0.18 4.03 3.52 -1.26 -1.96 118.95 127.77 3ium s ARG 358 Ca 0.57 -0.21 -0.11 0.00 -0.13 0.00 0.00 55.73 55.86 3ium s ARG 358 Cb -0.27 -4.17 0.09 0.00 -1.56 0.00 0.00 34.95 29.04 3ium s ARG 358 CO 0.29 -2.11 1.71 0.28 -0.81 0.00 0.00 175.30 174.66 3ium h VAL 359 N 6.04 1.25 0.00 7.11 2.07 -1.39 -3.49 116.25 127.84 3ium h VAL 359 Ca -0.28 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3ium h VAL 359 Cb 1.05 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3ium h VAL 359 CO 1.27 0.33 0.00 -2.11 0.02 0.00 0.00 177.57 177.08 3ium n ARG 360 N -4.36 -1.25 -3.76 1.57 1.85 -1.18 -5.02 116.66 104.50 3ium n ARG 360 Ca 0.04 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.53 3ium n ARG 360 Cb 0.22 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.56 3ium n ARG 360 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3ium s GLU 361 N -2.00 3.85 0.16 2.89 2.12 -1.26 -0.79 118.70 123.68 3ium s GLU 361 Ca 0.00 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 54.92 3ium s GLU 361 Cb 0.00 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 31.00 3ium s GLU 361 CO 0.00 0.53 1.29 0.08 -0.54 0.00 0.00 175.26 176.62 3ium s VAL 362 N -0.33 3.39 -1.26 3.70 1.01 0.22 -4.92 120.40 122.21 3ium s VAL 362 Ca 0.13 1.10 -0.17 0.00 0.00 0.00 0.00 61.98 63.04 3ium s VAL 362 Cb -0.12 -3.70 0.09 0.00 0.00 0.00 0.00 36.38 32.65 3ium s VAL 362 CO 0.02 0.14 1.64 0.00 0.00 0.00 0.00 175.10 176.91 3ium s ALA 363 N 0.39 3.46 0.53 5.51 0.00 -1.26 -4.62 121.76 125.77 3ium s ALA 363 Ca 0.58 -2.99 -0.21 0.00 0.00 0.00 0.00 51.96 49.33 3ium s ALA 363 Cb -0.35 -4.51 -0.05 0.00 0.00 0.00 0.00 23.12 18.21 3ium s ALA 363 CO 0.35 -3.18 1.28 -0.51 0.00 0.00 0.00 175.76 173.70 3ium s LEU 364 N 3.60 3.85 0.52 0.00 1.43 -1.26 -4.86 118.68 121.96 3ium s LEU 364 Ca 0.51 2.57 0.15 0.00 -1.03 0.00 0.00 54.13 56.32 3ium s LEU 364 Cb 0.02 -4.33 0.80 0.00 0.03 0.00 0.00 46.19 42.71 3ium s LEU 364 CO 0.05 -1.42 1.39 -0.65 0.23 0.00 0.00 176.35 175.95 3ium h PRO 365 N 1.48 0.00 0.00 1.29 0.11 -2.01 -3.45 132.00 129.42 3ium h PRO 365 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3ium h PRO 365 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3ium h PRO 365 CO 0.57 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.77 3ium n GLY 366 N -1.30 -0.51 3.62 -0.55 0.00 -1.26 -5.10 105.19 100.09 3ium n GLY 366 Ca -0.01 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 3ium n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ium s LEU 367 N 0.00 4.06 0.00 0.99 1.02 -1.26 -4.93 118.68 118.55 3ium s LEU 367 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 54.13 54.67 3ium s LEU 367 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 46.19 43.56 3ium s LEU 367 CO 0.00 -0.27 0.00 0.61 0.02 0.00 0.00 176.35 176.71 3ium n GLY 368 N 4.37 -0.83 3.45 -3.19 0.00 -1.26 -4.80 105.19 102.93 3ium n GLY 368 Ca -0.04 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 3ium n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ium s SER 369 N -4.00 3.84 0.28 1.61 0.01 0.35 -0.47 113.70 115.32 3ium s SER 369 Ca 0.00 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.05 3ium s SER 369 Cb 0.00 -0.72 -0.06 0.00 0.21 0.00 0.00 66.02 65.46 3ium s SER 369 CO 0.00 0.32 -0.10 0.68 0.41 0.00 0.00 173.24 174.55 3ium s VAL 370 N -0.77 1.89 0.10 3.43 -7.23 -1.26 -1.81 120.40 114.75 3ium s VAL 370 Ca 0.12 -2.19 -0.14 0.00 -1.81 0.00 0.00 61.98 57.96 3ium s VAL 370 Cb -0.10 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.44 3ium s VAL 370 CO 0.02 -0.33 0.34 -0.94 -0.31 0.00 0.00 175.10 173.87 3ium s SER 371 N -3.47 -0.14 0.00 4.85 1.04 -0.68 -4.94 113.70 110.36 3ium s SER 371 Ca 0.29 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.36 3ium s SER 371 Cb 0.02 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.56 3ium s SER 371 CO 0.13 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3ium n GLY 372 N -0.04 -0.42 2.25 7.32 0.00 -1.26 0.55 105.19 113.58 3ium n GLY 372 Ca -0.16 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 3ium n GLY 372 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ium n PHE 373 N 0.00 -0.38 -4.47 1.61 3.72 -0.24 -4.96 117.46 112.74 3ium n PHE 373 Ca 0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3ium n PHE 373 Cb 0.00 -2.47 -0.13 0.00 -0.94 0.00 0.00 39.48 35.93 3ium n PHE 373 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3ium s ASN 374 N -2.60 4.34 0.24 4.37 0.02 -1.26 -3.62 114.94 116.42 3ium s ASN 374 Ca 0.00 -0.27 -0.21 0.00 -1.02 0.00 0.00 52.86 51.36 3ium s ASN 374 Cb 0.00 -1.70 0.07 0.00 0.02 0.00 0.00 41.25 39.64 3ium s ASN 374 CO 0.00 0.13 0.96 -0.83 0.02 0.00 0.00 177.10 177.38 3ium s GLY 375 N 0.58 0.15 0.73 0.66 0.00 -0.47 -4.75 107.32 104.23 3ium s GLY 375 Ca -0.05 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.17 3ium s GLY 375 CO 0.03 1.44 1.06 0.54 0.00 0.00 0.00 173.10 176.17 3ium s LYS 376 N -2.33 2.22 0.22 2.90 1.02 -1.26 -3.95 119.74 118.55 3ium s LYS 376 Ca 0.19 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 56.01 3ium s LYS 376 Cb -0.03 -2.10 0.27 0.00 -0.52 0.00 0.00 37.83 35.45 3ium s LYS 376 CO 0.07 -1.29 1.82 0.45 -0.92 0.00 0.00 175.35 175.47 3ium h HIS 377 N -0.71 0.78 -0.60 3.18 3.86 -1.94 0.33 115.15 120.06 3ium h HIS 377 Ca -0.45 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3ium h HIS 377 Cb 1.31 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.54 3ium h HIS 377 CO 0.35 0.38 0.00 -0.40 0.86 0.00 0.00 177.93 179.12 3ium n ASP 378 N -4.73 4.24 -4.70 2.45 5.75 -1.26 -3.07 116.55 115.23 3ium n ASP 378 Ca 0.10 -2.35 -0.42 0.00 -0.01 0.00 0.00 54.79 52.11 3ium n ASP 378 Cb 0.18 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.70 3ium n ASP 378 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3ium s ASP 379 N -0.87 6.60 0.42 -1.12 1.01 -1.09 -4.86 116.67 116.76 3ium s ASP 379 Ca 0.46 2.52 0.10 0.00 0.71 0.00 0.00 52.55 56.34 3ium s ASP 379 Cb 0.29 -2.57 0.89 0.00 1.01 0.00 0.00 42.92 42.54 3ium s ASP 379 CO 0.23 -0.87 1.99 1.55 0.21 0.00 0.00 175.17 178.28 3ium h PRO 380 N 7.92 0.24 -3.96 8.23 0.13 -1.92 -3.40 132.00 139.24 3ium h PRO 380 Ca -0.43 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 3ium h PRO 380 Cb 1.20 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3ium h PRO 380 CO 0.92 0.30 -0.48 0.00 -0.23 0.00 0.00 178.00 178.51 3ium s ALA 381 N -4.92 0.04 0.23 -0.56 0.00 -1.26 -4.64 121.76 110.64 3ium s ALA 381 Ca -0.06 -0.83 0.09 0.00 0.00 0.00 0.00 51.96 51.16 3ium s ALA 381 Cb 0.16 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3ium s ALA 381 CO 0.72 -0.46 -0.06 -0.51 0.00 0.00 0.00 175.76 175.44 3ium s LEU 382 N -2.88 3.04 0.05 0.00 1.43 -0.58 -4.96 118.68 114.77 3ium s LEU 382 Ca 0.06 -0.65 0.09 0.00 -1.03 0.00 0.00 54.13 52.60 3ium s LEU 382 Cb 0.06 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3ium s LEU 382 CO -0.11 0.05 -0.26 -0.31 0.23 0.00 0.00 176.35 175.96 3ium s TYR 383 N -2.05 2.28 0.02 0.29 2.02 -1.26 0.23 117.35 118.88 3ium s TYR 383 Ca 0.28 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 3ium s TYR 383 Cb -0.07 -1.36 -0.00 0.00 -0.40 0.00 0.00 41.96 40.13 3ium s TYR 383 CO 0.17 0.13 0.14 -0.59 -1.57 0.00 0.00 175.55 173.84 3ium s PHE 384 N -0.82 0.09 0.09 2.71 -0.12 -0.88 -1.08 117.98 117.97 3ium s PHE 384 Ca 0.11 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.76 3ium s PHE 384 Cb -0.10 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3ium s PHE 384 CO 0.02 -0.35 0.08 0.20 -0.05 0.00 0.00 175.22 175.13 3ium s GLY 385 N -1.78 1.98 -0.08 1.99 0.00 0.19 -1.26 107.32 108.37 3ium s GLY 385 Ca -0.09 -1.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 3ium s GLY 385 CO -0.02 -1.03 0.22 -0.12 0.00 0.00 0.00 173.10 172.16 3ium s PHE 386 N -1.43 -0.23 0.12 1.90 5.36 -0.72 -1.68 117.98 121.30 3ium s PHE 386 Ca 0.29 0.55 -0.25 0.00 -0.96 0.00 0.00 56.93 56.57 3ium s PHE 386 Cb -0.12 0.08 0.07 0.00 -0.34 0.00 0.00 43.02 42.71 3ium s PHE 386 CO 0.22 -0.13 0.74 -1.83 -1.46 0.00 0.00 175.22 172.77 3ium s GLU 387 N 0.03 1.19 0.00 10.12 -1.05 -0.75 -1.70 118.70 126.54 3ium s GLU 387 Ca -0.01 -0.50 -0.00 0.00 -0.15 0.00 0.00 54.97 54.31 3ium s GLU 387 Cb -0.02 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 3ium s GLU 387 CO 0.00 -0.53 0.01 0.27 0.95 0.00 0.00 175.26 175.97 3ium n ASN 388 N -0.36 -0.03 0.27 0.83 2.04 -0.79 -0.50 115.26 116.72 3ium n ASN 388 Ca -0.12 -1.02 0.10 0.00 -0.44 0.00 0.00 54.58 53.10 3ium n ASN 388 Cb 0.63 0.05 0.70 0.00 -2.53 0.00 0.00 39.78 38.62 3ium n ASN 388 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 3ium h TYR 389 N 1.01 0.00 -0.01 -2.53 0.05 -1.86 -2.91 116.97 110.71 3ium h TYR 389 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ium h TYR 389 Cb 0.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3ium h TYR 389 CO 0.00 0.02 -0.13 0.00 -1.05 0.00 0.00 178.16 177.00 3ium n ALA 390 N -2.47 2.74 -3.83 3.88 0.00 -1.26 -4.64 120.51 114.93 3ium n ALA 390 Ca -0.03 -0.56 -0.28 0.00 0.00 0.00 0.00 53.44 52.57 3ium n ALA 390 Cb 0.11 -0.48 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 3ium n ALA 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ium s GLN 391 N -1.43 1.09 0.81 0.00 -0.44 -1.12 -4.73 119.66 113.85 3ium s GLN 391 Ca 0.14 -0.62 -0.12 0.00 -2.50 0.00 0.00 55.36 52.26 3ium s GLN 391 Cb 0.12 -2.24 0.09 0.00 -1.64 0.00 0.00 33.01 29.34 3ium s GLN 391 CO 0.26 -0.59 1.17 -1.25 0.50 0.00 0.00 175.29 175.38 3ium s PRO 392 N 1.67 1.66 -0.28 1.67 0.04 -1.26 -1.89 135.00 136.61 3ium s PRO 392 Ca -0.02 1.62 -0.42 0.00 0.04 0.00 0.00 61.00 62.22 3ium s PRO 392 Cb -0.17 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 3ium s PRO 392 CO -0.07 -2.17 1.61 -2.30 0.04 0.00 0.00 177.00 174.11 3ium n PRO 393 N -3.45 0.76 -4.59 0.56 -0.02 -1.26 -4.71 135.00 122.28 3ium n PRO 393 Ca 0.12 0.28 -0.24 0.00 -2.02 0.00 0.00 63.50 61.64 3ium n PRO 393 Cb 0.51 -1.89 -0.14 0.00 -0.02 0.00 0.00 33.50 31.96 3ium n PRO 393 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3ium s THR 394 N 2.80 1.51 -0.15 3.45 2.01 -0.69 -3.90 115.64 120.66 3ium s THR 394 Ca 0.98 -1.11 -0.05 0.00 0.31 0.00 0.00 61.69 61.82 3ium s THR 394 Cb -1.19 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 3ium s THR 394 CO 0.67 0.18 0.02 -0.76 -0.69 0.00 0.00 174.62 174.04 3ium s LEU 395 N -1.10 3.60 0.17 4.42 1.43 -0.73 -1.76 118.68 124.71 3ium s LEU 395 Ca 0.06 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.30 3ium s LEU 395 Cb -0.08 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 3ium s LEU 395 CO 0.01 0.23 -0.21 -0.31 0.23 0.00 0.00 176.35 176.30 3ium s TYR 396 N 0.04 2.04 -0.18 0.29 2.02 -0.39 -0.54 117.35 120.64 3ium s TYR 396 Ca 0.03 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.25 3ium s TYR 396 Cb -0.13 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 3ium s TYR 396 CO 0.02 0.38 0.07 0.50 -1.57 0.00 0.00 175.55 174.95 3ium s ARG 397 N -2.59 3.94 -0.17 -0.62 3.52 0.78 -2.07 118.95 121.74 3ium s ARG 397 Ca 0.16 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 3ium s ARG 397 Cb -0.07 -3.21 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 3ium s ARG 397 CO 0.08 0.31 -0.16 0.12 -0.81 0.00 0.00 175.30 174.84 3ium s PHE 398 N 0.26 2.79 -0.50 5.12 5.36 0.14 -1.24 117.98 129.90 3ium s PHE 398 Ca 0.04 -1.25 -0.22 0.00 -0.96 0.00 0.00 56.93 54.54 3ium s PHE 398 Cb -0.12 -1.92 0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3ium s PHE 398 CO 0.00 -0.60 0.79 -1.21 -1.46 0.00 0.00 175.22 172.73 3ium s GLU 399 N 1.05 3.29 0.23 10.12 0.41 0.49 -1.53 118.70 132.75 3ium s GLU 399 Ca -0.01 -0.39 -0.12 0.00 -0.41 0.00 0.00 54.97 54.04 3ium s GLU 399 Cb -0.15 -4.02 0.30 0.00 -1.78 0.00 0.00 34.13 28.48 3ium s GLU 399 CO -0.05 -1.27 1.61 -1.35 -0.49 0.00 0.00 175.26 173.71 3ium h PRO 400 N 9.10 0.00 0.37 0.39 0.11 -1.88 0.62 132.00 140.71 3ium h PRO 400 Ca -0.26 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 3ium h PRO 400 Cb 1.08 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ium h PRO 400 CO 1.00 0.00 -0.18 0.87 -0.21 0.00 0.00 178.00 179.49 3ium h LYS 401 N 0.00 -0.48 0.00 1.05 1.57 -1.93 -3.33 116.57 113.46 3ium h LYS 401 Ca 0.35 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.10 3ium h LYS 401 Cb 0.54 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 3ium h LYS 401 CO -0.75 -0.32 -0.31 0.66 -0.57 0.00 0.00 179.45 178.17 3ium h SER 402 N -0.89 0.00 0.00 0.86 4.64 -2.00 -3.46 113.55 112.69 3ium h SER 402 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ium h SER 402 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3ium h SER 402 CO 0.08 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3ium n GLY 403 N -0.02 0.58 3.76 -0.77 0.00 0.22 -5.01 105.19 103.95 3ium n GLY 403 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3ium n GLY 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ium s ALA 404 N -2.18 3.40 -0.05 4.61 0.00 -1.21 -4.74 121.76 121.59 3ium s ALA 404 Ca 0.00 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.05 3ium s ALA 404 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3ium s ALA 404 CO 0.00 -0.37 -0.24 0.42 0.00 0.00 0.00 175.76 175.57 3ium s ILE 405 N -1.19 2.17 0.03 0.00 1.01 -1.26 -0.38 121.20 121.58 3ium s ILE 405 Ca 0.48 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 3ium s ILE 405 Cb -0.34 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3ium s ILE 405 CO 0.45 0.57 -0.01 -0.94 0.00 0.00 0.00 174.94 175.01 3ium s SER 406 N -0.29 0.29 0.08 3.58 1.04 -0.38 -4.97 113.70 113.06 3ium s SER 406 Ca 0.00 -0.63 -0.31 0.00 0.48 0.00 0.00 55.95 55.49 3ium s SER 406 Cb -0.13 0.15 -0.06 0.00 0.10 0.00 0.00 66.02 66.08 3ium s SER 406 CO 0.02 -0.41 1.26 -0.22 0.98 0.00 0.00 173.24 174.87 3ium s LEU 407 N -1.95 4.37 -0.24 2.42 0.20 -1.26 -0.16 118.68 122.06 3ium s LEU 407 Ca -0.08 2.12 -0.10 0.00 0.69 0.00 0.00 54.13 56.76 3ium s LEU 407 Cb -0.04 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 42.03 3ium s LEU 407 CO -0.04 -0.52 -0.29 0.00 -0.29 0.00 0.00 176.35 175.20 3ium n TYR 408 N 3.89 0.00 -3.64 5.38 9.36 0.30 -4.80 117.16 127.65 3ium n TYR 408 Ca 0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.18 3ium n TYR 408 Cb 0.45 -0.86 -0.13 0.00 -0.63 0.00 0.00 39.34 38.18 3ium n TYR 408 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3ium s ARG 409 N -2.44 0.17 0.67 2.98 1.81 -0.76 -5.01 118.95 116.38 3ium s ARG 409 Ca -0.33 0.74 -0.11 0.00 -1.72 0.00 0.00 55.73 54.31 3ium s ARG 409 Cb 0.12 -0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.53 3ium s ARG 409 CO 0.43 -0.31 1.05 0.00 -0.68 0.00 0.00 175.30 175.79 3ium s ALA 410 N 2.44 2.86 0.52 2.13 0.00 -1.26 -1.77 121.76 126.67 3ium s ALA 410 Ca 0.02 -0.04 -0.20 0.00 0.00 0.00 0.00 51.96 51.74 3ium s ALA 410 Cb -0.12 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3ium s ALA 410 CO -0.09 -1.01 1.10 0.45 0.00 0.00 0.00 175.76 176.20 3ium s SER 411 N -4.01 5.95 0.00 0.00 0.15 -1.25 -4.91 113.70 109.63 3ium s SER 411 Ca 0.57 2.10 0.26 0.00 0.70 0.00 0.00 55.95 59.58 3ium s SER 411 Cb -0.12 -2.57 0.69 0.00 -1.71 0.00 0.00 66.02 62.30 3ium s SER 411 CO 0.54 -1.06 1.52 0.00 1.20 0.00 0.00 173.24 175.45 3ium n ALA 412 N -1.15 3.16 -1.70 5.45 0.00 -1.26 -4.93 120.51 120.08 3ium n ALA 412 Ca 0.11 -0.41 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 3ium n ALA 412 Cb 0.51 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 18.84 3ium n ALA 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ium n ALA 413 N -0.72 1.34 -0.94 0.00 0.00 -1.26 -4.81 120.51 114.11 3ium n ALA 413 Ca 0.11 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.66 3ium n ALA 413 Cb 0.35 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 3ium n ALA 413 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ium n PRO 414 N 0.56 2.53 -3.67 0.00 -0.04 -1.26 -4.75 135.00 128.36 3ium n PRO 414 Ca 0.05 -1.56 -0.14 0.00 -0.04 0.00 0.00 63.50 61.80 3ium n PRO 414 Cb 0.36 -2.44 -0.14 0.00 -0.04 0.00 0.00 33.50 31.24 3ium n PRO 414 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ium s PHE 415 N 2.54 -0.35 -0.51 0.54 0.08 -1.26 -5.08 117.98 113.94 3ium s PHE 415 Ca 0.53 0.86 -0.28 0.00 0.12 0.00 0.00 56.93 58.16 3ium s PHE 415 Cb 0.16 -0.08 0.03 0.00 -0.57 0.00 0.00 43.02 42.56 3ium s PHE 415 CO -0.04 -0.32 1.10 0.15 -0.10 0.00 0.00 175.22 176.02 3ium s LYS 416 N 2.24 3.61 0.31 0.44 1.02 -1.26 -4.92 119.74 121.19 3ium s LYS 416 Ca 0.00 0.36 0.08 0.00 0.02 0.00 0.00 55.97 56.44 3ium s LYS 416 Cb -0.12 -3.95 0.90 0.00 -0.52 0.00 0.00 37.83 34.14 3ium s LYS 416 CO -0.08 -1.44 1.66 -1.35 -0.92 0.00 0.00 175.35 173.22 3ium h PRO 417 N 9.29 0.28 0.00 -1.68 0.11 -1.94 -0.05 132.00 138.00 3ium h PRO 417 Ca -0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 3ium h PRO 417 Cb 1.06 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3ium h PRO 417 CO 1.12 0.18 -0.00 1.05 -0.21 0.00 0.00 178.00 180.14 3ium h GLU 418 N 0.28 0.00 0.00 1.05 9.09 -1.91 -2.08 114.58 121.01 3ium h GLU 418 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 3ium h GLU 418 Cb 1.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.48 3ium h GLU 418 CO -0.62 0.00 -0.09 -0.25 0.05 0.00 0.00 179.01 178.10 3ium n ASP 419 N -3.39 0.25 -4.44 3.06 8.00 -0.03 -4.80 116.55 115.20 3ium n ASP 419 Ca -0.03 0.40 -0.29 0.00 0.71 0.00 0.00 54.79 55.58 3ium n ASP 419 Cb 0.08 -0.43 -0.12 0.00 -0.02 0.00 0.00 41.12 40.63 3ium n ASP 419 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ium s TYR 420 N -3.03 2.42 0.04 1.24 2.02 -0.78 0.21 117.35 119.47 3ium s TYR 420 Ca 0.13 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 3ium s TYR 420 Cb 0.17 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 3ium s TYR 420 CO 0.57 0.38 -0.12 0.08 -1.57 0.00 0.00 175.55 174.89 3ium s VAL 421 N -1.16 0.94 -0.05 0.71 1.01 -0.11 -4.73 120.40 117.00 3ium s VAL 421 Ca 0.17 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3ium s VAL 421 Cb -0.10 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3ium s VAL 421 CO 0.08 -0.08 -0.06 -0.44 0.00 0.00 0.00 175.10 174.60 3ium s SER 422 N -1.19 1.23 0.02 3.32 0.01 -1.26 -1.40 113.70 114.42 3ium s SER 422 Ca -0.01 -0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.12 3ium s SER 422 Cb -0.08 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 3ium s SER 422 CO 0.01 -0.05 -0.14 -1.83 0.41 0.00 0.00 173.24 171.65 3ium s GLU 423 N 0.98 0.99 -0.02 12.44 -1.05 0.62 -4.96 118.70 127.70 3ium s GLU 423 Ca -0.10 -0.62 -0.12 0.00 -0.15 0.00 0.00 54.97 53.98 3ium s GLU 423 Cb -0.14 -0.98 -0.05 0.00 -0.44 0.00 0.00 34.13 32.52 3ium s GLU 423 CO 0.00 0.25 0.34 -1.14 0.95 0.00 0.00 175.26 175.66 3ium s GLN 424 N -0.74 3.78 0.04 -4.83 0.74 -1.26 -0.81 119.66 116.57 3ium s GLN 424 Ca 0.03 0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.68 3ium s GLN 424 Cb -0.06 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.83 3ium s GLN 424 CO 0.00 0.70 -0.03 1.03 -0.55 0.00 0.00 175.29 176.44 3ium s ARG 425 N -1.18 0.52 -0.04 1.67 1.81 0.61 -4.99 118.95 117.35 3ium s ARG 425 Ca 0.23 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 3ium s ARG 425 Cb -0.15 0.15 -0.01 0.00 -0.45 0.00 0.00 34.95 34.50 3ium s ARG 425 CO 0.12 -0.08 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.42 3ium s PHE 426 N -3.08 1.70 0.07 -0.53 0.08 -1.26 -0.36 117.98 114.59 3ium s PHE 426 Ca -0.00 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 56.63 3ium s PHE 426 Cb 0.02 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3ium s PHE 426 CO -0.07 -0.14 -0.11 1.52 -0.10 0.00 0.00 175.22 176.32 3ium s TYR 427 N -0.05 1.00 -0.06 0.36 -0.85 -0.41 -4.93 117.35 112.41 3ium s TYR 427 Ca -0.02 -0.53 -0.17 0.00 -0.52 0.00 0.00 57.07 55.83 3ium s TYR 427 Cb -0.11 -0.56 -0.05 0.00 0.38 0.00 0.00 41.96 41.62 3ium s TYR 427 CO 0.02 -0.00 0.44 -0.65 -1.52 0.00 0.00 175.55 173.84 3ium s GLN 428 N -2.03 4.16 0.00 -3.49 -0.21 -1.26 -0.80 119.66 116.03 3ium s GLN 428 Ca -0.02 0.43 0.00 0.00 0.02 0.00 0.00 55.36 55.79 3ium s GLN 428 Cb -0.08 -3.33 0.00 0.00 1.00 0.00 0.00 33.01 30.60 3ium s GLN 428 CO 0.01 0.41 0.00 -1.13 -2.12 0.00 0.00 175.29 172.46 3ium n SER 429 N 2.77 0.00 0.25 5.90 3.41 -0.18 -4.91 113.62 120.86 3ium n SER 429 Ca -0.10 -0.34 -0.13 0.00 -0.26 0.00 0.00 58.87 58.03 3ium n SER 429 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 3ium n SER 429 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ium h LYS 430 N 0.00 -0.74 -0.01 4.33 3.64 -1.88 -2.67 116.57 119.24 3ium h LYS 430 Ca 0.00 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3ium h LYS 430 Cb 0.00 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3ium h LYS 430 CO 0.00 -0.50 0.00 -0.40 -2.27 0.00 0.00 179.45 176.28 3ium n ASP 431 N -4.59 0.01 0.00 4.20 5.75 -1.26 -4.83 116.55 115.83 3ium n ASP 431 Ca -0.09 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3ium n ASP 431 Cb 0.34 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3ium n ASP 431 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ium n GLY 432 N 0.24 2.22 3.61 6.12 0.00 -1.01 -5.03 105.19 111.34 3ium n GLY 432 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 3ium n GLY 432 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ium n THR 433 N -2.00 0.78 -2.89 2.61 -1.04 -1.26 -4.44 114.28 106.03 3ium n THR 433 Ca 0.00 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.05 61.44 3ium n THR 433 Cb 0.00 -1.05 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 3ium n THR 433 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3ium s ARG 434 N -0.24 4.54 -0.01 -2.82 3.52 -1.26 -1.01 118.95 121.67 3ium s ARG 434 Ca 0.73 1.20 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 3ium s ARG 434 Cb -0.80 -2.97 0.02 0.00 -1.56 0.00 0.00 34.95 29.64 3ium s ARG 434 CO 0.50 0.40 0.02 0.08 -0.81 0.00 0.00 175.30 175.49 3ium s VAL 435 N -1.45 -0.03 0.66 7.11 1.01 0.02 -4.95 120.40 122.78 3ium s VAL 435 Ca 0.44 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 3ium s VAL 435 Cb -0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 3ium s VAL 435 CO 0.25 0.05 1.07 -2.84 0.00 0.00 0.00 175.10 173.63 3ium s PRO 436 N 0.64 2.95 -0.30 2.72 0.02 -1.26 -1.29 135.00 138.48 3ium s PRO 436 Ca -0.05 1.15 -0.11 0.00 0.02 0.00 0.00 61.00 62.01 3ium s PRO 436 Cb -0.08 -1.99 0.13 0.00 0.02 0.00 0.00 34.50 32.59 3ium s PRO 436 CO -0.02 -1.10 0.72 -1.17 -0.33 0.00 0.00 177.00 175.11 3ium s LEU 437 N -5.09 -1.02 -0.18 -5.54 2.96 0.51 -2.44 118.68 107.88 3ium s LEU 437 Ca 0.62 1.41 -0.07 0.00 -0.22 0.00 0.00 54.13 55.87 3ium s LEU 437 Cb -0.16 2.18 -0.04 0.00 0.50 0.00 0.00 46.19 48.66 3ium s LEU 437 CO 0.46 -0.20 0.06 -0.63 -1.32 0.00 0.00 176.35 174.72 3ium s ILE 438 N 2.72 4.78 -0.14 6.68 1.01 -0.19 -0.29 121.20 135.78 3ium s ILE 438 Ca -0.06 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.58 3ium s ILE 438 Cb -0.10 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.22 3ium s ILE 438 CO -0.19 0.46 -0.20 -0.63 0.00 0.00 0.00 174.94 174.38 3ium s ILE 439 N 0.39 2.22 0.05 2.92 1.01 0.01 -0.74 121.20 127.06 3ium s ILE 439 Ca 0.03 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.83 3ium s ILE 439 Cb -0.12 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 3ium s ILE 439 CO 0.00 0.54 -0.21 -0.44 0.00 0.00 0.00 174.94 174.83 3ium s SER 440 N 0.78 2.57 0.02 3.58 0.01 0.32 -0.27 113.70 120.70 3ium s SER 440 Ca -0.07 -0.56 -0.29 0.00 1.31 0.00 0.00 55.95 56.34 3ium s SER 440 Cb -0.16 -0.20 0.10 0.00 0.21 0.00 0.00 66.02 65.97 3ium s SER 440 CO -0.01 0.15 0.99 -0.72 0.41 0.00 0.00 173.24 174.07 3ium s TYR 441 N -0.86 -0.23 0.44 2.43 -0.85 -0.49 -0.98 117.35 116.80 3ium s TYR 441 Ca 0.08 0.06 -0.25 0.00 -0.52 0.00 0.00 57.07 56.43 3ium s TYR 441 Cb -0.09 0.57 -0.08 0.00 0.38 0.00 0.00 41.96 42.73 3ium s TYR 441 CO 0.02 -0.56 1.35 0.50 -1.52 0.00 0.00 175.55 175.34 3ium s ARG 442 N -3.02 3.78 0.12 -3.49 3.52 -1.26 -0.93 118.95 117.67 3ium s ARG 442 Ca 0.09 2.25 -0.31 0.00 -0.13 0.00 0.00 55.73 57.62 3ium s ARG 442 Cb -0.01 -2.66 -0.08 0.00 -1.56 0.00 0.00 34.95 30.64 3ium s ARG 442 CO -0.05 -0.68 1.47 0.21 -0.81 0.00 0.00 175.30 175.44 3ium s LYS 443 N -2.40 4.27 0.00 5.12 2.20 0.57 -3.30 119.74 126.22 3ium s LYS 443 Ca 0.60 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 3ium s LYS 443 Cb -0.40 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 3ium s LYS 443 CO 0.51 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 3ium n GLY 444 N 3.63 1.01 3.75 5.54 0.00 -1.26 -4.95 105.19 112.91 3ium n GLY 444 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3ium n GLY 444 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ium s LEU 445 N 0.00 3.85 -0.09 0.99 0.20 -1.21 -5.02 118.68 117.40 3ium s LEU 445 Ca 0.00 2.61 -0.01 0.00 0.69 0.00 0.00 54.13 57.43 3ium s LEU 445 Cb 0.00 -4.32 -0.03 0.00 -0.43 0.00 0.00 46.19 41.41 3ium s LEU 445 CO 0.00 -1.45 -0.05 -0.54 -0.29 0.00 0.00 176.35 174.02 3ium s LYS 446 N -2.94 2.95 -0.63 1.98 1.02 -1.26 -5.01 119.74 115.86 3ium s LYS 446 Ca 0.71 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 56.12 3ium s LYS 446 Cb -0.36 -2.69 -0.19 0.00 -0.52 0.00 0.00 37.83 34.07 3ium s LYS 446 CO 0.43 0.61 3.34 1.28 -0.92 0.00 0.00 175.35 180.08 3ium n LEU 447 N 2.40 6.62 -0.49 3.17 4.77 -1.26 -4.39 117.00 127.83 3ium n LEU 447 Ca -0.18 -3.68 0.14 0.00 -0.03 0.00 0.00 56.01 52.26 3ium n LEU 447 Cb 0.53 -1.46 0.51 0.00 -2.33 0.00 0.00 43.42 40.66 3ium n LEU 447 CO 0.28 1.85 0.85 -0.90 -1.33 0.00 0.00 177.39 178.14 3ium n ASP 448 N 2.82 1.53 -0.06 -1.43 5.68 -0.97 -4.57 116.55 119.54 3ium n ASP 448 Ca 0.57 -1.49 -0.01 0.00 -0.50 0.00 0.00 54.79 53.35 3ium n ASP 448 Cb 0.64 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.63 3ium n ASP 448 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ium n GLY 449 N 1.19 0.44 0.32 6.12 0.00 0.57 -4.90 105.19 108.92 3ium n GLY 449 Ca 0.19 -0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3ium n GLY 449 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ium n SER 450 N -0.04 1.49 -4.69 1.61 3.41 -1.25 -2.12 113.62 112.03 3ium n SER 450 Ca -0.01 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 3ium n SER 450 Cb 0.13 0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 3ium n SER 450 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3ium s ASN 451 N -1.82 6.70 0.09 4.04 0.01 -1.14 -4.92 114.94 117.91 3ium s ASN 451 Ca 0.12 2.33 -0.31 0.00 -0.71 0.00 0.00 52.86 54.29 3ium s ASN 451 Cb 0.12 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 39.13 3ium s ASN 451 CO 0.38 -0.82 1.58 -2.16 -1.51 0.00 0.00 177.10 174.57 3ium s PRO 452 N 2.57 4.22 0.04 -0.60 0.04 -1.26 -4.37 135.00 135.64 3ium s PRO 452 Ca 0.70 2.27 0.05 0.00 0.04 0.00 0.00 61.00 64.06 3ium s PRO 452 Cb -0.36 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.70 3ium s PRO 452 CO 0.30 -0.66 -0.15 0.99 0.04 0.00 0.00 177.00 177.52 3ium s THR 453 N 2.11 1.22 -0.15 1.26 2.01 0.22 -0.54 115.64 121.78 3ium s THR 453 Ca 0.71 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.69 3ium s THR 453 Cb -0.39 -1.09 0.00 0.00 0.01 0.00 0.00 72.50 71.02 3ium s THR 453 CO 0.31 0.05 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.48 3ium s ILE 454 N -0.83 2.43 -0.24 1.82 1.01 0.11 -0.20 121.20 125.29 3ium s ILE 454 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 3ium s ILE 454 Cb -0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3ium s ILE 454 CO 0.01 0.53 0.06 -0.22 0.00 0.00 0.00 174.94 175.32 3ium s LEU 455 N 0.79 3.41 -0.03 2.97 2.96 0.10 -0.69 118.68 128.18 3ium s LEU 455 Ca -0.07 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3ium s LEU 455 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 3ium s LEU 455 CO -0.00 -0.03 -0.11 -0.47 -1.32 0.00 0.00 176.35 174.42 3ium s TYR 456 N 1.56 2.80 0.22 5.38 5.04 0.28 -0.53 117.35 132.08 3ium s TYR 456 Ca 0.06 -0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 54.42 3ium s TYR 456 Cb -0.15 -1.63 0.02 0.00 0.35 0.00 0.00 41.96 40.56 3ium s TYR 456 CO 0.03 0.28 0.55 0.20 -1.34 0.00 0.00 175.55 175.27 3ium s GLY 457 N -1.00 -0.02 0.00 8.97 0.00 -1.15 -1.43 107.32 112.68 3ium s GLY 457 Ca 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.55 3ium s GLY 457 CO 0.03 -0.27 0.00 2.98 0.00 0.00 0.00 173.10 175.84 3ium n TYR 458 N -0.37 0.00 -2.31 1.90 9.36 -1.26 -4.58 117.16 119.90 3ium n TYR 458 Ca -0.08 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.11 3ium n TYR 458 Cb 0.62 0.16 0.00 0.00 -0.63 0.00 0.00 39.34 39.49 3ium n TYR 458 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ium n GLY 459 N 1.82 -2.36 0.00 2.98 0.00 -1.26 -4.36 105.19 102.01 3ium n GLY 459 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3ium n GLY 459 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ium n GLY 460 N 0.01 3.04 2.43 -0.02 0.00 -0.88 -4.65 105.19 105.11 3ium n GLY 460 Ca 0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.67 3ium n GLY 460 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ium n PHE 461 N -1.35 -1.16 -1.13 1.61 3.72 -0.95 -1.49 117.46 116.70 3ium n PHE 461 Ca 0.00 0.01 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 3ium n PHE 461 Cb 0.00 -3.56 -0.04 0.00 -0.94 0.00 0.00 39.48 34.94 3ium n PHE 461 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3ium n ASP 462 N -1.95 -4.40 -4.60 4.37 2.03 -0.61 -4.87 116.55 106.53 3ium n ASP 462 Ca -0.21 0.21 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 3ium n ASP 462 Cb 0.66 -3.35 -0.04 0.00 -0.72 0.00 0.00 41.12 37.67 3ium n ASP 462 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3ium s VAL 463 N -1.61 4.68 0.03 5.18 1.01 -0.56 -2.13 120.40 127.01 3ium s VAL 463 Ca 0.00 1.08 -0.06 0.00 0.00 0.00 0.00 61.98 63.00 3ium s VAL 463 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3ium s VAL 463 CO 0.00 -0.44 0.27 -0.94 0.00 0.00 0.00 175.10 173.99 3ium s SER 464 N 1.81 6.48 -0.56 3.32 1.04 -1.26 -3.49 113.70 121.03 3ium s SER 464 Ca 0.34 0.54 -0.19 0.00 0.48 0.00 0.00 55.95 57.12 3ium s SER 464 Cb -0.13 -2.08 0.08 0.00 0.10 0.00 0.00 66.02 64.00 3ium s SER 464 CO 0.17 0.22 0.69 -0.76 0.98 0.00 0.00 173.24 174.54 3ium s LEU 465 N -1.91 5.16 0.14 2.42 1.43 -1.26 -4.93 118.68 119.73 3ium s LEU 465 Ca 0.30 -1.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.14 3ium s LEU 465 Cb -0.13 -2.37 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 3ium s LEU 465 CO 0.18 -1.05 0.39 0.42 0.23 0.00 0.00 176.35 176.51 3ium s THR 466 N 2.76 5.15 0.22 5.49 -4.23 -1.26 -4.88 115.64 118.89 3ium s THR 466 Ca 0.14 0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.41 3ium s THR 466 Cb -0.22 -3.62 -0.11 0.00 1.34 0.00 0.00 72.50 69.89 3ium s THR 466 CO 0.09 0.04 1.57 -2.84 -0.54 0.00 0.00 174.62 172.94 3ium s PRO 467 N -2.64 4.19 -0.07 3.99 0.02 -1.26 -5.01 135.00 134.22 3ium s PRO 467 Ca 0.41 2.44 -0.09 0.00 0.02 0.00 0.00 61.00 63.78 3ium s PRO 467 Cb -0.12 -3.10 0.02 0.00 0.02 0.00 0.00 34.50 31.32 3ium s PRO 467 CO 0.24 -0.59 0.23 -1.54 -0.33 0.00 0.00 177.00 175.00 3ium s SER 468 N 0.82 -0.20 0.02 2.53 1.04 -1.26 -4.04 113.70 112.61 3ium s SER 468 Ca 0.67 0.33 -0.30 0.00 0.48 0.00 0.00 55.95 57.12 3ium s SER 468 Cb -0.45 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 3ium s SER 468 CO 0.38 -0.16 1.22 0.12 0.98 0.00 0.00 173.24 175.78 3ium s PHE 469 N -0.25 3.30 -0.08 5.02 5.36 -1.12 -4.00 117.98 126.21 3ium s PHE 469 Ca -0.04 1.22 0.03 0.00 -0.96 0.00 0.00 56.93 57.18 3ium s PHE 469 Cb -0.03 -3.44 0.01 0.00 -0.34 0.00 0.00 43.02 39.22 3ium s PHE 469 CO 0.01 -1.40 -0.16 0.45 -1.46 0.00 0.00 175.22 172.66 3ium s SER 470 N 1.28 2.28 0.18 6.13 0.15 -1.26 -5.00 113.70 117.47 3ium s SER 470 Ca 0.58 -0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.73 3ium s SER 470 Cb -0.28 -1.04 0.09 0.00 -1.71 0.00 0.00 66.02 63.08 3ium s SER 470 CO 0.26 0.06 1.71 0.58 1.20 0.00 0.00 173.24 177.06 3ium h VAL 471 N 5.90 1.25 -0.11 4.45 2.07 -1.94 -1.10 116.25 126.77 3ium h VAL 471 Ca -0.28 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.42 3ium h VAL 471 Cb 1.20 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3ium h VAL 471 CO 0.48 0.33 -0.13 -1.28 0.02 0.00 0.00 177.57 176.99 3ium h SER 472 N 0.93 -0.39 -0.64 0.57 0.87 -1.96 -0.45 113.55 112.48 3ium h SER 472 Ca 0.21 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 3ium h SER 472 Cb 0.30 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3ium h SER 472 CO -0.01 -0.17 0.37 0.58 -0.53 0.00 0.00 176.83 177.07 3ium h VAL 473 N -0.16 1.20 -0.82 2.23 2.07 -1.92 -1.87 116.25 116.97 3ium h VAL 473 Ca 0.08 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.16 3ium h VAL 473 Cb 0.28 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3ium h VAL 473 CO -0.21 0.21 0.54 0.00 0.02 0.00 0.00 177.57 178.13 3ium h ALA 474 N 1.18 1.46 -0.68 1.67 0.00 -0.66 -0.93 119.26 121.31 3ium h ALA 474 Ca 0.23 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3ium h ALA 474 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3ium h ALA 474 CO -0.04 0.47 0.15 -0.91 0.00 0.00 0.00 179.25 178.92 3ium h ASN 475 N 1.05 1.03 -0.76 0.00 2.35 -0.44 -1.58 115.58 117.24 3ium h ASN 475 Ca 0.31 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3ium h ASN 475 Cb -0.04 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 3ium h ASN 475 CO -0.08 1.00 0.44 -0.25 -1.65 0.00 0.00 177.43 176.88 3ium h TRP 476 N 1.03 1.03 -0.54 1.19 2.91 -0.44 -2.00 115.95 119.13 3ium h TRP 476 Ca 0.21 -0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.16 3ium h TRP 476 Cb 0.38 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.67 3ium h TRP 476 CO 0.03 0.71 0.11 -0.07 -1.03 0.00 0.00 178.44 178.18 3ium h LEU 477 N 1.05 0.80 -0.69 0.65 3.38 -0.85 -1.18 115.31 118.46 3ium h LEU 477 Ca 0.27 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ium h LEU 477 Cb 0.00 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ium h LEU 477 CO -0.05 0.80 0.00 0.47 0.09 0.00 0.00 178.44 179.75 3ium n ASP 478 N -4.26 0.61 -0.47 -0.43 8.00 -0.63 -0.57 116.55 118.80 3ium n ASP 478 Ca 0.04 0.66 0.14 0.00 0.71 0.00 0.00 54.79 56.33 3ium n ASP 478 Cb 0.24 -0.78 0.50 0.00 -0.02 0.00 0.00 41.12 41.06 3ium n ASP 478 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3ium n LEU 479 N -2.18 1.49 0.00 0.64 4.77 -0.66 -4.05 117.00 117.01 3ium n LEU 479 Ca 0.02 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3ium n LEU 479 Cb 0.21 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ium n LEU 479 CO 0.18 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3ium n GLY 480 N 1.20 0.82 3.90 -0.72 0.00 0.27 -2.42 105.19 108.24 3ium n GLY 480 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3ium n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ium s GLY 481 N -1.90 1.62 -0.08 -0.02 0.00 -0.54 -4.44 107.32 101.96 3ium s GLY 481 Ca 0.00 -0.48 0.03 0.00 0.00 0.00 0.00 44.72 44.27 3ium s GLY 481 CO 0.00 -0.15 -0.16 0.14 0.00 0.00 0.00 173.10 172.93 3ium s VAL 482 N -3.20 2.84 -0.20 1.40 1.01 0.29 -4.23 120.40 118.31 3ium s VAL 482 Ca 0.56 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3ium s VAL 482 Cb -0.11 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.15 3ium s VAL 482 CO 0.49 0.56 -0.11 -0.47 0.00 0.00 0.00 175.10 175.57 3ium s TYR 483 N -0.20 2.87 -0.14 5.22 5.04 -0.16 -0.72 117.35 129.26 3ium s TYR 483 Ca -0.00 -1.19 0.02 0.00 -2.44 0.00 0.00 57.07 53.46 3ium s TYR 483 Cb -0.13 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.18 3ium s TYR 483 CO 0.03 -0.62 -0.22 0.00 -1.34 0.00 0.00 175.55 173.40 3ium s ALA 484 N 1.30 2.26 -0.15 3.97 0.00 0.13 -0.52 121.76 128.75 3ium s ALA 484 Ca 0.04 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.89 3ium s ALA 484 Cb -0.14 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3ium s ALA 484 CO -0.06 -0.06 -0.13 0.08 0.00 0.00 0.00 175.76 175.59 3ium s VAL 485 N 0.85 2.92 -0.11 0.00 1.01 0.08 0.10 120.40 125.26 3ium s VAL 485 Ca -0.06 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3ium s VAL 485 Cb -0.15 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 3ium s VAL 485 CO -0.03 0.51 -0.03 0.00 0.00 0.00 0.00 175.10 175.55 3ium s ALA 486 N 0.70 3.13 -1.16 5.51 0.00 -0.51 -1.03 121.76 128.39 3ium s ALA 486 Ca -0.06 -0.83 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 3ium s ALA 486 Cb -0.15 -1.46 0.24 0.00 0.00 0.00 0.00 23.12 21.75 3ium s ALA 486 CO 0.02 0.45 1.38 0.09 0.00 0.00 0.00 175.76 177.70 3ium n ASN 487 N 2.65 5.53 -4.70 0.00 3.02 -1.02 -4.53 115.26 116.20 3ium n ASN 487 Ca -0.18 -3.09 -0.30 0.00 -0.03 0.00 0.00 54.58 50.97 3ium n ASN 487 Cb 0.53 -1.43 0.14 0.00 -0.61 0.00 0.00 39.78 38.41 3ium n ASN 487 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ium s LEU 488 N -0.51 2.58 0.78 3.41 1.43 -1.26 -4.44 118.68 120.65 3ium s LEU 488 Ca 0.36 1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 3ium s LEU 488 Cb -0.03 -4.27 0.06 0.00 0.03 0.00 0.00 46.19 41.98 3ium s LEU 488 CO -0.01 -2.69 1.09 -0.13 0.23 0.00 0.00 176.35 174.84 3ium s ARG 489 N -4.80 2.23 0.00 1.70 0.52 -1.26 -3.32 118.95 114.02 3ium s ARG 489 Ca 0.64 1.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 3ium s ARG 489 Cb -0.20 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.38 3ium s ARG 489 CO 0.58 -1.67 0.00 0.41 0.02 0.00 0.00 175.30 174.64 3ium n GLY 490 N -1.16 3.29 1.81 -3.53 0.00 0.10 -4.02 105.19 101.67 3ium n GLY 490 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 3ium n GLY 490 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ium n GLY 491 N -1.53 0.40 2.08 -0.02 0.00 -1.21 -1.57 105.19 103.35 3ium n GLY 491 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 3ium n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ium n GLY 492 N 1.35 6.03 0.15 -0.02 0.00 -0.91 -3.22 105.19 108.58 3ium n GLY 492 Ca 0.08 -2.37 0.12 0.00 0.00 0.00 0.00 46.02 43.84 3ium n GLY 492 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ium h GLU 493 N 1.99 0.00 -0.14 1.61 3.07 -1.88 -3.39 114.58 115.84 3ium h GLU 493 Ca 0.46 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 59.15 3ium h GLU 493 Cb 1.27 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.89 3ium h GLU 493 CO 1.09 0.00 -0.89 0.66 -1.40 0.00 0.00 179.01 178.47 3ium n TYR 494 N -2.84 0.45 0.00 4.33 4.01 -1.26 -4.49 117.16 117.36 3ium n TYR 494 Ca 0.01 -1.19 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 3ium n TYR 494 Cb 0.54 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3ium n TYR 494 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ium n GLY 495 N -0.22 0.02 0.31 2.72 0.00 -1.26 -4.19 105.19 102.56 3ium n GLY 495 Ca 0.13 -1.77 0.13 0.00 0.00 0.00 0.00 46.02 44.51 3ium n GLY 495 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ium h GLN 496 N 0.00 0.15 -0.69 1.61 -0.00 -1.94 0.23 115.11 114.46 3ium h GLN 496 Ca 0.00 -0.01 0.04 0.00 -0.00 0.00 0.00 58.65 58.68 3ium h GLN 496 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.41 3ium h GLN 496 CO 0.00 0.10 0.46 0.00 0.00 0.00 0.00 178.83 179.39 3ium h ALA 497 N 1.81 1.63 0.00 3.38 0.00 -1.96 -1.27 119.26 122.84 3ium h ALA 497 Ca 0.55 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 3ium h ALA 497 Cb 1.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3ium h ALA 497 CO -0.70 0.30 -0.27 2.35 0.00 0.00 0.00 179.25 180.93 3ium h TRP 498 N 0.82 0.00 0.10 0.00 2.91 -0.71 -1.46 115.95 117.61 3ium h TRP 498 Ca 0.28 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.30 3ium h TRP 498 Cb 0.10 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 3ium h TRP 498 CO -0.00 0.27 -0.05 1.25 -1.03 0.00 0.00 178.44 178.88 3ium h HIS 499 N 0.00 -0.13 0.00 2.65 2.76 -1.08 0.29 115.15 119.64 3ium h HIS 499 Ca -0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 3ium h HIS 499 Cb 0.49 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.48 3ium h HIS 499 CO 0.00 0.34 -0.31 -0.07 -1.30 0.00 0.00 177.93 176.58 3ium h LEU 500 N -0.66 0.00 0.00 0.26 3.38 -1.43 -2.98 115.31 113.88 3ium h LEU 500 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ium h LEU 500 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ium h LEU 500 CO 0.02 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.87 3ium n ALA 501 N -2.29 1.17 -2.26 1.53 0.00 -0.56 -1.31 120.51 116.80 3ium n ALA 501 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3ium n ALA 501 Cb 0.45 -1.00 0.06 0.00 0.00 0.00 0.00 19.45 18.96 3ium n ALA 501 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ium n GLY 502 N -1.32 1.86 3.54 0.00 0.00 -1.12 -4.73 105.19 103.41 3ium n GLY 502 Ca 0.00 -0.88 -0.25 0.00 0.00 0.00 0.00 46.02 44.89 3ium n GLY 502 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ium s THR 503 N -0.69 1.43 0.00 2.61 -4.23 -0.42 -4.01 115.64 110.32 3ium s THR 503 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 3ium s THR 503 Cb 0.35 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3ium s THR 503 CO -0.13 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 3ium n GLN 504 N -0.84 0.00 -1.15 3.99 1.13 0.10 -0.78 117.38 119.83 3ium n GLN 504 Ca -0.05 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.76 3ium n GLN 504 Cb 0.67 0.00 0.13 0.00 0.11 0.00 0.00 30.24 31.15 3ium n GLN 504 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ium n GLN 505 N 12.71 2.26 0.00 -1.09 6.02 -1.26 -3.70 117.38 132.32 3ium n GLN 505 Ca 0.00 -2.79 0.00 0.00 -0.01 0.00 0.00 57.00 54.20 3ium n GLN 505 Cb 0.00 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.16 3ium n GLN 505 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ium n ASN 506 N -0.88 0.60 -0.01 1.08 3.02 0.04 -4.79 115.26 114.33 3ium n ASN 506 Ca 0.55 -1.15 0.17 0.00 -0.03 0.00 0.00 54.58 54.11 3ium n ASN 506 Cb 1.24 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 41.04 3ium n ASN 506 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3ium h LYS 507 N 0.00 0.12 0.00 3.52 1.63 -1.64 0.95 116.57 121.15 3ium h LYS 507 Ca 0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 3ium h LYS 507 Cb 0.45 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.05 3ium h LYS 507 CO 0.00 0.08 -0.01 0.37 -3.45 0.00 0.00 179.45 176.44 3ium h GLN 508 N 0.12 0.00 -0.91 1.90 5.75 -1.89 -1.54 115.11 118.54 3ium h GLN 508 Ca 0.24 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3ium h GLN 508 Cb 0.81 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.31 3ium h GLN 508 CO -0.03 0.01 0.56 -0.91 -2.65 0.00 0.00 178.83 175.81 3ium h ASN 509 N 0.00 1.09 -0.10 -0.69 2.35 -1.09 -1.94 115.58 115.20 3ium h ASN 509 Ca -0.00 -0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3ium h ASN 509 Cb 0.01 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 3ium h ASN 509 CO 0.00 0.82 -0.07 0.58 -1.65 0.00 0.00 177.43 177.11 3ium h VAL 510 N 1.26 0.78 -0.80 2.81 2.07 -1.40 -1.82 116.25 119.15 3ium h VAL 510 Ca 0.33 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.86 3ium h VAL 510 Cb -0.07 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3ium h VAL 510 CO -0.06 0.00 0.52 -0.26 0.02 0.00 0.00 177.57 177.78 3ium h PHE 511 N -0.08 1.01 -0.68 1.57 0.04 -1.50 -1.88 116.94 115.42 3ium h PHE 511 Ca 0.07 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ium h PHE 511 Cb 0.18 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.95 3ium h PHE 511 CO -0.19 0.64 0.39 -0.44 -0.60 0.00 0.00 178.31 178.11 3ium h ASP 512 N 1.08 0.82 -0.74 2.17 5.19 -1.06 0.23 116.42 124.12 3ium h ASP 512 Ca 0.29 -0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.58 3ium h ASP 512 Cb -0.11 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.16 3ium h ASP 512 CO -0.06 0.65 0.22 0.44 -3.12 0.00 0.00 179.24 177.37 3ium h ASP 513 N 0.94 1.09 -0.24 6.45 3.32 -0.63 -0.76 116.42 126.59 3ium h ASP 513 Ca 0.24 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3ium h ASP 513 Cb -0.00 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3ium h ASP 513 CO -0.04 1.02 -0.04 0.15 -1.72 0.00 0.00 179.24 178.60 3ium h PHE 514 N 1.11 0.50 -0.55 4.55 3.57 -0.44 -2.14 116.94 123.54 3ium h PHE 514 Ca 0.24 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3ium h PHE 514 Cb 0.33 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3ium h PHE 514 CO 0.03 0.67 0.33 0.82 -2.23 0.00 0.00 178.31 177.92 3ium h ILE 515 N 0.20 1.05 -0.09 1.41 2.04 -0.34 -0.95 117.51 120.82 3ium h ILE 515 Ca 0.06 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.65 3ium h ILE 515 Cb 0.49 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3ium h ILE 515 CO 0.02 0.12 -0.18 0.00 0.00 0.00 0.00 178.15 178.11 3ium h ALA 516 N 1.25 1.53 0.23 1.87 0.00 -1.09 -1.81 119.26 121.25 3ium h ALA 516 Ca 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ium h ALA 516 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ium h ALA 516 CO -0.11 0.34 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 3ium h ALA 517 N 1.68 -0.33 0.21 0.00 0.00 -0.50 0.17 119.26 120.49 3ium h ALA 517 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ium h ALA 517 Cb 0.41 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ium h ALA 517 CO 0.03 -0.69 -0.23 0.00 0.00 0.00 0.00 179.25 178.37 3ium h ALA 518 N 0.44 -0.45 -0.50 0.00 0.00 -1.01 -1.50 119.26 116.24 3ium h ALA 518 Ca -0.03 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ium h ALA 518 Cb 0.26 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 3ium h ALA 518 CO 0.04 -0.78 0.04 0.93 0.00 0.00 0.00 179.25 179.48 3ium h GLU 519 N -0.47 0.15 -0.56 0.00 5.08 -1.21 -1.53 114.58 116.05 3ium h GLU 519 Ca 0.00 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3ium h GLU 519 Cb 0.45 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 3ium h GLU 519 CO -0.07 0.10 0.26 -0.92 -1.00 0.00 0.00 179.01 177.38 3ium h TYR 520 N 0.16 0.47 -0.67 4.33 3.20 -0.32 -1.70 116.97 122.43 3ium h TYR 520 Ca 0.26 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.24 3ium h TYR 520 Cb 0.38 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 3ium h TYR 520 CO -0.28 0.20 0.45 -0.07 -1.64 0.00 0.00 178.16 176.81 3ium h LEU 521 N 0.49 0.50 0.11 2.82 3.38 -0.24 -1.48 115.31 120.89 3ium h LEU 521 Ca 0.26 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3ium h LEU 521 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ium h LEU 521 CO -0.21 0.31 -0.05 0.11 0.09 0.00 0.00 178.44 178.69 3ium h LYS 522 N 0.56 -0.14 -1.38 1.13 1.57 -1.06 -1.30 116.57 115.96 3ium h LYS 522 Ca 0.31 0.01 0.45 0.00 -1.87 0.00 0.00 60.65 59.55 3ium h LYS 522 Cb 0.45 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 32.67 3ium h LYS 522 CO -0.10 -0.09 0.90 0.00 -0.57 0.00 0.00 179.45 179.59 3ium h ALA 523 N -1.63 2.84 -0.00 3.86 0.00 -1.26 1.45 119.26 124.51 3ium h ALA 523 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ium h ALA 523 Cb 0.11 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3ium h ALA 523 CO 0.02 -1.47 -0.01 0.39 0.00 0.00 0.00 179.25 178.18 3ium n GLU 524 N -4.65 0.70 -0.84 0.00 -0.58 -0.57 -4.91 120.64 109.79 3ium n GLU 524 Ca 0.38 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3ium n GLU 524 Cb 1.50 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3ium n GLU 524 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ium n GLY 525 N 1.17 0.54 0.19 0.62 0.00 0.50 -4.92 105.19 103.28 3ium n GLY 525 Ca 0.18 -0.40 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 3ium n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ium h TYR 526 N 0.00 -0.37 -2.13 1.61 0.05 -1.37 0.17 116.97 114.93 3ium h TYR 526 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3ium h TYR 526 Cb 0.00 0.12 0.00 0.00 1.01 0.00 0.00 36.73 37.86 3ium h TYR 526 CO 0.00 -0.21 0.00 -2.37 -1.05 0.00 0.00 178.16 174.53 3ium n THR 527 N -5.04 0.00 -3.77 -2.88 5.66 -1.13 -2.87 114.28 104.25 3ium n THR 527 Ca -0.05 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.85 3ium n THR 527 Cb 0.17 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.89 3ium n THR 527 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ium s ARG 528 N -0.79 1.08 0.24 1.09 1.70 -0.90 -4.21 118.95 117.17 3ium s ARG 528 Ca 0.00 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 3ium s ARG 528 Cb 0.00 0.43 0.35 0.00 -0.57 0.00 0.00 34.95 35.16 3ium s ARG 528 CO 0.00 -0.41 1.47 2.41 -1.08 0.00 0.00 175.30 177.69 3ium n THR 529 N -0.20 -0.44 0.49 4.99 -1.04 -1.26 0.30 114.28 117.12 3ium n THR 529 Ca -0.13 2.18 0.10 0.00 -2.04 0.00 0.00 64.05 64.16 3ium n THR 529 Cb 0.63 -2.96 0.43 0.00 -1.82 0.00 0.00 70.33 66.61 3ium n THR 529 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3ium n ASP 530 N -5.47 0.41 -1.07 8.00 5.68 -1.26 -2.40 116.55 120.43 3ium n ASP 530 Ca 0.13 0.59 0.04 0.00 -0.50 0.00 0.00 54.79 55.05 3ium n ASP 530 Cb 0.43 -0.68 0.25 0.00 -1.14 0.00 0.00 41.12 39.98 3ium n ASP 530 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ium n ARG 531 N -1.94 2.71 -4.86 0.11 5.12 0.15 -4.83 116.66 113.11 3ium n ARG 531 Ca 0.03 -2.95 -0.27 0.00 -1.93 0.00 0.00 57.85 52.73 3ium n ARG 531 Cb 0.24 -1.88 -0.16 0.00 -1.16 0.00 0.00 32.46 29.50 3ium n ARG 531 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3ium s LEU 532 N -2.96 1.90 0.03 0.55 2.96 -0.96 0.73 118.68 120.93 3ium s LEU 532 Ca 0.44 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3ium s LEU 532 Cb 0.37 -1.02 -0.02 0.00 0.50 0.00 0.00 46.19 46.02 3ium s LEU 532 CO 0.07 0.14 -0.12 0.00 -1.32 0.00 0.00 176.35 175.13 3ium s ALA 533 N 0.15 0.94 0.08 5.97 0.00 0.72 0.16 121.76 129.79 3ium s ALA 533 Ca -0.07 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.26 3ium s ALA 533 Cb -0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3ium s ALA 533 CO 0.03 0.16 -0.10 0.96 0.00 0.00 0.00 175.76 176.82 3ium s ILE 534 N -0.78 3.38 0.02 0.00 -4.36 -0.09 0.01 121.20 119.38 3ium s ILE 534 Ca -0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 60.65 59.10 3ium s ILE 534 Cb -0.07 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.09 3ium s ILE 534 CO 0.01 0.17 0.20 -0.60 0.24 0.00 0.00 174.94 174.95 3ium s ARG 535 N -2.04 0.61 -0.19 0.37 3.52 0.31 -0.86 118.95 120.67 3ium s ARG 535 Ca 0.20 -0.46 -0.34 0.00 -0.13 0.00 0.00 55.73 55.00 3ium s ARG 535 Cb -0.11 0.26 0.14 0.00 -1.56 0.00 0.00 34.95 33.68 3ium s ARG 535 CO 0.12 -0.17 1.20 0.20 -0.81 0.00 0.00 175.30 175.85 3ium s GLY 536 N -1.69 -0.26 0.00 8.12 0.00 -1.08 -2.94 107.32 109.47 3ium s GLY 536 Ca -0.10 1.71 0.04 0.00 0.00 0.00 0.00 44.72 46.37 3ium s GLY 536 CO -0.00 0.60 -0.14 -0.32 0.00 0.00 0.00 173.10 173.24 3ium s GLY 537 N -2.03 0.69 0.00 0.20 0.00 -1.26 -0.64 107.32 104.29 3ium s GLY 537 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3ium s GLY 537 CO -0.05 -0.56 0.00 1.44 0.00 0.00 0.00 173.10 173.93 3ium n SER 538 N 2.53 0.00 -0.02 1.64 7.64 0.23 0.34 113.62 125.99 3ium n SER 538 Ca -0.15 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.92 3ium n SER 538 Cb 0.55 0.00 0.66 0.00 -1.01 0.00 0.00 64.21 64.41 3ium n SER 538 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3ium h ASN 539 N 0.00 0.06 0.27 6.43 -0.00 -1.91 0.88 115.58 121.31 3ium h ASN 539 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 56.10 3ium h ASN 539 Cb 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 38.32 38.31 3ium h ASN 539 CO 0.00 0.03 -0.83 1.23 -0.00 0.00 0.00 177.43 177.86 3ium h GLY 540 N 0.07 0.48 1.88 1.57 0.00 -0.31 -2.35 103.07 104.40 3ium h GLY 540 Ca 0.26 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3ium h GLY 540 CO -0.02 0.66 -0.01 -1.33 0.00 0.00 0.00 176.54 175.85 3ium h GLY 541 N 1.22 0.17 0.89 4.60 0.00 0.81 -1.73 103.07 109.03 3ium h GLY 541 Ca -0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 47.33 47.04 3ium h GLY 541 CO 0.14 0.07 -0.57 -2.00 0.00 0.00 0.00 176.54 174.19 3ium h LEU 542 N 0.16 0.63 -0.66 3.11 5.85 -0.92 -2.35 115.31 121.13 3ium h LEU 542 Ca 0.04 -0.67 0.11 0.00 0.84 0.00 0.00 57.88 58.19 3ium h LEU 542 Cb 0.13 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3ium h LEU 542 CO 0.00 1.21 0.26 0.25 -0.34 0.00 0.00 178.44 179.82 3ium h LEU 543 N 0.11 0.26 -0.28 2.25 5.85 -0.79 0.67 115.31 123.38 3ium h LEU 543 Ca -0.05 0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.55 3ium h LEU 543 Cb 1.23 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.33 3ium h LEU 543 CO 0.12 0.14 -0.74 0.58 -0.34 0.00 0.00 178.44 178.19 3ium h VAL 544 N 0.44 1.32 -0.11 1.05 2.07 -1.43 -2.02 116.25 117.57 3ium h VAL 544 Ca 0.34 -2.03 0.03 0.00 0.82 0.00 0.00 66.70 65.86 3ium h VAL 544 Cb 0.45 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3ium h VAL 544 CO -0.33 0.63 -0.05 1.23 0.02 0.00 0.00 177.57 179.06 3ium h GLY 545 N 0.87 0.05 0.55 2.17 0.00 -0.68 -3.24 103.07 102.79 3ium h GLY 545 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3ium h GLY 545 CO 0.14 -0.07 -0.26 0.00 0.00 0.00 0.00 176.54 176.35 3ium h ALA 546 N 1.07 -0.83 0.00 3.60 0.00 -0.96 -2.82 119.26 119.32 3ium h ALA 546 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ium h ALA 546 Cb 0.13 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ium h ALA 546 CO -0.14 -0.78 0.00 0.28 0.00 0.00 0.00 179.25 178.61 3ium n VAL 547 N -4.84 0.00 0.00 0.00 0.31 -0.76 -1.37 118.33 111.66 3ium n VAL 547 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3ium n VAL 547 Cb 0.29 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 3ium n VAL 547 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3ium n THR 549 N 0.71 0.00 0.05 2.52 -2.24 -1.06 -1.91 114.28 112.34 3ium n THR 549 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3ium n THR 549 Cb 0.00 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.16 3ium n THR 549 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3ium h GLN 550 N 0.00 0.00 -1.17 -0.78 4.20 -1.52 -3.41 115.11 112.44 3ium h GLN 550 Ca 0.00 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.33 3ium h GLN 550 Cb 0.00 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 27.43 3ium h GLN 550 CO 0.00 0.37 -1.03 0.54 -0.67 0.00 0.00 178.83 178.04 3ium n ARG 551 N -2.98 1.07 0.00 1.46 5.12 -0.80 -4.94 116.66 115.59 3ium n ARG 551 Ca -0.08 -3.01 0.00 0.00 -1.93 0.00 0.00 57.85 52.83 3ium n ARG 551 Cb 0.84 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.88 3ium n ARG 551 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3ium n PRO 552 N 0.05 0.11 -0.08 5.56 -0.04 -1.26 -1.05 135.00 138.29 3ium n PRO 552 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 3ium n PRO 552 Cb 0.75 -1.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.10 3ium n PRO 552 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3ium n ASP 553 N -0.49 1.73 0.00 3.54 5.75 -1.26 -4.12 116.55 121.71 3ium n ASP 553 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 3ium n ASP 553 Cb 0.00 0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 3ium n ASP 553 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3ium n LEU 554 N -2.75 0.00 0.00 -2.12 7.94 -0.22 -4.99 117.00 114.87 3ium n LEU 554 Ca -0.28 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 3ium n LEU 554 Cb 0.94 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.89 3ium n LEU 554 CO 0.27 0.00 -0.42 -1.14 -1.11 0.00 0.00 177.39 174.99 3ium n ARG 556 N -0.85 1.73 -4.19 1.96 3.00 0.12 -4.67 116.66 113.77 3ium n ARG 556 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 3ium n ARG 556 Cb 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 32.46 31.39 3ium n ARG 556 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3ium s VAL 557 N -1.85 0.47 -0.14 5.15 1.01 -0.95 -1.87 120.40 122.23 3ium s VAL 557 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3ium s VAL 557 Cb 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 3ium s VAL 557 CO 0.00 0.15 -0.16 0.00 0.00 0.00 0.00 175.10 175.09 3ium s ALA 558 N 0.09 2.48 -0.63 5.51 0.00 0.91 -0.91 121.76 129.20 3ium s ALA 558 Ca -0.01 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.03 3ium s ALA 558 Cb -0.05 -1.14 0.18 0.00 0.00 0.00 0.00 23.12 22.11 3ium s ALA 558 CO -0.00 0.13 0.48 1.28 0.00 0.00 0.00 175.76 177.65 3ium n LEU 559 N 3.77 2.24 -4.65 0.00 4.77 -0.04 -4.32 117.00 118.77 3ium n LEU 559 Ca -0.19 -5.04 -0.41 0.00 -0.03 0.00 0.00 56.01 50.35 3ium n LEU 559 Cb 0.52 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3ium n LEU 559 CO 0.29 1.81 0.55 -2.16 -1.33 0.00 0.00 177.39 176.56 3ium s PRO 560 N -1.22 4.19 -0.04 3.23 0.04 -1.26 -2.64 135.00 137.30 3ium s PRO 560 Ca 0.28 0.83 0.06 0.00 0.04 0.00 0.00 61.00 62.21 3ium s PRO 560 Cb -0.00 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 3ium s PRO 560 CO -0.16 -0.43 -0.20 0.00 0.04 0.00 0.00 177.00 176.25 3ium s ALA 561 N 2.54 2.42 -1.44 8.56 0.00 0.18 -1.89 121.76 132.14 3ium s ALA 561 Ca 0.33 -1.04 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 3ium s ALA 561 Cb -0.16 -0.77 0.11 0.00 0.00 0.00 0.00 23.12 22.31 3ium s ALA 561 CO 0.09 0.54 0.28 0.28 0.00 0.00 0.00 175.76 176.95 3ium n VAL 562 N 2.39 -0.36 -3.02 0.00 0.31 0.04 -0.60 118.33 117.09 3ium n VAL 562 Ca -0.17 -0.18 -0.27 0.00 -0.01 0.00 0.00 64.34 63.71 3ium n VAL 562 Cb 0.52 -0.59 -0.01 0.00 -0.91 0.00 0.00 33.84 32.84 3ium n VAL 562 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3ium s GLY 563 N -3.42 1.56 -0.53 2.92 0.00 -1.26 -1.67 107.32 104.92 3ium s GLY 563 Ca 0.39 -0.61 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 3ium s GLY 563 CO 0.84 -0.48 0.55 0.14 0.00 0.00 0.00 173.10 174.15 3ium s VAL 564 N -2.45 5.04 -0.56 1.40 1.01 -1.23 -4.47 120.40 119.15 3ium s VAL 564 Ca 0.45 -1.03 0.14 0.00 0.00 0.00 0.00 61.98 61.54 3ium s VAL 564 Cb -0.10 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.80 3ium s VAL 564 CO 0.38 -0.84 0.55 0.18 0.00 0.00 0.00 175.10 175.37 3ium n LEU 565 N 5.71 0.56 -4.65 3.92 4.77 -1.26 -4.28 117.00 121.77 3ium n LEU 565 Ca -0.11 -0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 55.15 3ium n LEU 565 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 3ium n LEU 565 CO 0.53 0.14 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.76 3ium s ASP 566 N -2.57 4.86 0.00 -1.43 3.68 -1.26 -1.93 116.67 118.01 3ium s ASP 566 Ca 0.04 -0.17 0.00 0.00 2.13 0.00 0.00 52.55 54.55 3ium s ASP 566 Cb 0.10 -1.14 0.00 0.00 -1.45 0.00 0.00 42.92 40.43 3ium s ASP 566 CO 0.59 0.22 0.00 0.18 0.13 0.00 0.00 175.17 176.29 3ium n LEU 568 N 0.99 0.00 -0.98 -1.34 4.32 -1.26 -1.99 117.00 116.74 3ium n LEU 568 Ca -0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.84 3ium n LEU 568 Cb 0.52 -0.05 -0.01 0.00 -1.62 0.00 0.00 43.42 42.27 3ium n LEU 568 CO 0.35 0.00 0.19 -2.11 -1.22 0.00 0.00 177.39 174.60 3ium n ARG 569 N 0.25 0.12 0.08 3.23 1.85 -1.26 -4.69 116.66 116.24 3ium n ARG 569 Ca 0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 57.85 56.36 3ium n ARG 569 Cb 0.00 0.41 -0.05 0.00 -1.05 0.00 0.00 32.46 31.77 3ium n ARG 569 CO 0.00 0.00 0.00 0.10 -0.01 0.00 0.00 177.63 177.72 3ium h TYR 570 N 0.09 0.49 -0.11 2.89 -0.00 -1.79 -3.21 116.97 115.32 3ium h TYR 570 Ca -0.19 -0.28 0.03 0.00 0.00 0.00 0.00 58.73 58.29 3ium h TYR 570 Cb 0.89 -0.05 -0.00 0.00 0.00 0.00 0.00 36.73 37.57 3ium h TYR 570 CO -0.09 1.12 0.20 1.12 -0.00 0.00 0.00 178.16 180.50 3ium h HIS 571 N 0.17 0.00 0.00 0.10 2.07 -1.87 -1.67 115.15 113.95 3ium h HIS 571 Ca -0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.44 3ium h HIS 571 Cb 1.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.60 3ium h HIS 571 CO 0.05 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.16 3ium n THR 572 N -3.46 0.00 -4.74 6.12 -2.24 -1.21 -4.36 114.28 104.39 3ium n THR 572 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 3ium n THR 572 Cb 0.29 -0.25 -0.17 0.00 -2.10 0.00 0.00 70.33 68.10 3ium n THR 572 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3ium s PHE 573 N -1.46 2.22 0.00 4.78 0.08 -0.63 -5.07 117.98 117.91 3ium s PHE 573 Ca 0.00 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 56.05 3ium s PHE 573 Cb 0.00 -1.54 0.00 0.00 -0.57 0.00 0.00 43.02 40.91 3ium s PHE 573 CO 0.00 -0.46 0.23 -2.37 -0.10 0.00 0.00 175.22 172.52 3ium n THR 574 N 3.92 0.00 0.22 0.64 5.66 -1.26 0.52 114.28 123.97 3ium n THR 574 Ca -0.20 0.44 0.16 0.00 -3.05 0.00 0.00 64.05 61.40 3ium n THR 574 Cb 0.52 -0.64 0.82 0.00 -1.55 0.00 0.00 70.33 69.48 3ium n THR 574 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ium h ALA 575 N -0.76 1.81 0.00 1.79 0.00 -1.84 -1.15 119.26 119.11 3ium h ALA 575 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ium h ALA 575 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ium h ALA 575 CO 0.00 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.43 3ium n GLY 576 N -1.42 -0.64 2.25 0.00 0.00 0.18 -3.28 105.19 102.29 3ium n GLY 576 Ca 0.01 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3ium n GLY 576 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3ium n THR 577 N -0.76 3.32 -0.54 2.61 5.66 -0.44 -4.08 114.28 120.04 3ium n THR 577 Ca 0.08 -2.19 0.00 0.00 -3.05 0.00 0.00 64.05 58.89 3ium n THR 577 Cb 0.04 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.17 3ium n THR 577 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3ium n GLY 578 N -1.09 0.16 1.89 1.09 0.00 -1.21 -4.76 105.19 101.28 3ium n GLY 578 Ca 0.61 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 3ium n GLY 578 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3ium n TRP 579 N -0.05 2.44 0.24 1.61 8.01 -1.26 -4.70 117.44 123.74 3ium n TRP 579 Ca 0.00 -2.04 -0.14 0.00 -1.31 0.00 0.00 57.50 54.01 3ium n TRP 579 Cb 0.14 -0.86 -0.08 0.00 -2.01 0.00 0.00 31.31 28.50 3ium n TRP 579 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3ium h ALA 580 N 1.28 -0.63 -1.04 6.99 0.00 -1.86 -2.43 119.26 121.58 3ium h ALA 580 Ca 0.48 -0.19 0.29 0.00 0.00 0.00 0.00 54.91 55.49 3ium h ALA 580 Cb 1.98 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.96 3ium h ALA 580 CO 0.95 -0.70 0.72 -0.92 0.00 0.00 0.00 179.25 179.29 3ium h TYR 581 N -0.93 0.24 0.00 0.00 3.20 -1.97 -2.13 116.97 115.39 3ium h TYR 581 Ca -0.06 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3ium h TYR 581 Cb 0.58 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3ium h TYR 581 CO 0.01 0.03 -0.71 -0.25 -1.64 0.00 0.00 178.16 175.60 3ium n ASP 582 N -4.36 1.82 0.01 -2.11 8.00 -1.22 -4.58 116.55 114.12 3ium n ASP 582 Ca 0.23 0.58 -0.18 0.00 0.71 0.00 0.00 54.79 56.13 3ium n ASP 582 Cb 1.02 -0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 41.10 3ium n ASP 582 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3ium h TYR 583 N -1.00 0.47 0.00 1.24 0.05 -1.44 0.33 116.97 116.62 3ium h TYR 583 Ca -0.08 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.40 3ium h TYR 583 Cb 0.71 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.41 3ium h TYR 583 CO -0.16 1.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.53 3ium n GLY 584 N 1.35 -1.01 3.17 3.88 0.00 -0.80 -4.43 105.19 107.35 3ium n GLY 584 Ca -0.12 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 3ium n GLY 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ium s THR 585 N -1.33 0.21 -2.00 2.61 -4.23 -1.26 -4.95 115.64 104.69 3ium s THR 585 Ca 0.00 -1.93 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 3ium s THR 585 Cb 0.00 -2.09 0.30 0.00 1.34 0.00 0.00 72.50 72.05 3ium s THR 585 CO 0.00 -0.44 1.33 -1.54 -0.54 0.00 0.00 174.62 173.43 3ium n SER 586 N -0.14 0.00 -2.41 3.99 3.41 -1.26 -3.41 113.62 113.80 3ium n SER 586 Ca -0.05 -1.50 -0.29 0.00 -0.26 0.00 0.00 58.87 56.76 3ium n SER 586 Cb 0.64 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3ium n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ium n ALA 587 N -0.68 5.44 0.00 7.33 0.00 -1.26 -4.53 120.51 126.81 3ium n ALA 587 Ca 0.08 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.47 3ium n ALA 587 Cb 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3ium n ALA 587 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ium n ASP 588 N -0.60 1.18 -3.58 0.00 8.00 -1.22 -5.13 116.55 115.20 3ium n ASP 588 Ca 0.46 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.90 3ium n ASP 588 Cb 0.68 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 3ium n ASP 588 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3ium s SER 589 N -3.20 -0.20 0.55 -2.24 1.04 -1.26 -5.00 113.70 103.39 3ium s SER 589 Ca 0.00 0.07 0.35 0.00 0.48 0.00 0.00 55.95 56.85 3ium s SER 589 Cb 0.00 0.20 1.54 0.00 0.10 0.00 0.00 66.02 67.86 3ium s SER 589 CO 0.00 -0.30 2.04 -0.08 0.98 0.00 0.00 173.24 175.88 3ium h GLU 590 N 2.10 0.00 -0.56 4.02 4.81 -1.97 0.26 114.58 123.25 3ium h GLU 590 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3ium h GLU 590 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3ium h GLU 590 CO 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 3ium n ALA 591 N -2.06 2.09 0.00 2.92 0.00 -1.26 0.02 120.51 122.22 3ium n ALA 591 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ium n ALA 591 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3ium n ALA 591 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ium n PHE 593 N 0.01 0.00 -0.22 0.00 7.35 0.93 -1.21 117.46 124.32 3ium n PHE 593 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 3ium n PHE 593 Cb 0.14 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.05 3ium n PHE 593 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3ium h ASP 594 N 0.00 0.54 -0.69 -2.13 3.32 -0.64 -0.95 116.42 115.87 3ium h ASP 594 Ca 0.00 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3ium h ASP 594 Cb 0.00 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3ium h ASP 594 CO 0.00 0.36 0.45 0.22 -1.72 0.00 0.00 179.24 178.55 3ium h TYR 595 N 0.67 0.85 0.67 4.55 3.20 -1.40 -1.39 116.97 124.12 3ium h TYR 595 Ca 0.28 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 3ium h TYR 595 Cb 0.14 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.13 3ium h TYR 595 CO -0.08 0.53 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.58 3ium h LEU 596 N 0.91 -0.76 -0.94 2.82 3.38 -1.67 -2.98 115.31 116.08 3ium h LEU 596 Ca 0.26 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.45 3ium h LEU 596 Cb -0.08 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 3ium h LEU 596 CO -0.07 -0.43 0.47 0.50 0.09 0.00 0.00 178.44 179.00 3ium h LYS 597 N -1.07 0.44 -0.80 1.13 3.64 -1.12 0.31 116.57 119.10 3ium h LYS 597 Ca -0.09 -0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.48 3ium h LYS 597 Cb 0.72 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 3ium h LYS 597 CO 0.15 0.29 0.56 0.78 -2.27 0.00 0.00 179.45 178.96 3ium h GLY 598 N 0.45 0.19 0.00 5.01 0.00 -1.09 -3.22 103.07 104.41 3ium h GLY 598 Ca 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3ium h GLY 598 CO -0.52 0.00 -0.91 1.58 0.00 0.00 0.00 176.54 176.70 3ium n TYR 599 N -4.35 0.00 -1.13 5.60 0.18 -0.32 -5.01 117.16 112.13 3ium n TYR 599 Ca 0.16 0.00 -0.49 0.00 1.88 0.00 0.00 57.90 59.45 3ium n TYR 599 Cb 0.80 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.66 3ium n TYR 599 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3ium n SER 600 N -1.62 0.58 -0.39 9.48 2.88 0.93 -4.66 113.62 120.82 3ium n SER 600 Ca 0.00 0.51 -0.11 0.00 -1.33 0.00 0.00 58.87 57.95 3ium n SER 600 Cb 0.24 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.81 3ium n SER 600 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ium h PRO 601 N 8.32 -0.02 -0.86 -1.46 0.11 -1.85 0.36 132.00 136.60 3ium h PRO 601 Ca -0.08 0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.25 3ium h PRO 601 Cb 1.22 0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 3ium h PRO 601 CO 1.00 -0.01 0.27 1.25 -0.21 0.00 0.00 178.00 180.29 3ium h LEU 602 N -0.02 0.10 -7.22 2.35 5.85 -1.69 -2.71 115.31 111.97 3ium h LEU 602 Ca 0.15 0.17 -0.79 0.00 0.84 0.00 0.00 57.88 58.25 3ium h LEU 602 Cb 0.41 0.21 -0.26 0.00 0.37 0.00 0.00 40.66 41.40 3ium h LEU 602 CO -0.89 -0.09 0.85 1.41 -0.34 0.00 0.00 178.44 179.38 3ium n HIS 603 N -5.16 3.87 0.00 1.25 8.25 0.13 -3.93 115.22 119.62 3ium n HIS 603 Ca 0.20 -3.23 0.00 0.00 -0.26 0.00 0.00 57.72 54.43 3ium n HIS 603 Cb 0.63 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 30.13 3ium n HIS 603 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3ium n ASN 604 N 2.61 0.00 -4.47 0.41 3.02 -1.02 -4.35 115.26 111.46 3ium n ASN 604 Ca 0.28 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 3ium n ASN 604 Cb 0.37 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.42 3ium n ASN 604 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ium s VAL 605 N 0.00 4.69 0.03 2.41 1.01 -1.25 -4.86 120.40 122.43 3ium s VAL 605 Ca 0.00 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3ium s VAL 605 Cb 0.00 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 3ium s VAL 605 CO 0.00 0.14 -0.15 -0.13 0.00 0.00 0.00 175.10 174.97 3ium s ARG 606 N 1.64 1.00 0.89 2.72 0.52 -1.26 -5.01 118.95 119.46 3ium s ARG 606 Ca 0.05 -0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.44 3ium s ARG 606 Cb -0.17 -1.01 0.13 0.00 0.52 0.00 0.00 34.95 34.43 3ium s ARG 606 CO 0.07 0.26 1.13 -2.14 0.02 0.00 0.00 175.30 174.63 3ium s PRO 607 N -0.99 1.19 0.00 3.54 0.02 -1.24 -3.22 135.00 134.29 3ium s PRO 607 Ca 0.03 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.50 3ium s PRO 607 Cb -0.07 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.69 3ium s PRO 607 CO 0.01 -2.48 0.00 0.41 -0.33 0.00 0.00 177.00 174.61 3ium n GLY 608 N -0.05 2.02 3.70 0.52 0.00 -1.24 -4.96 105.19 105.18 3ium n GLY 608 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3ium n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ium s VAL 609 N -2.74 5.35 -0.46 1.61 1.01 -1.20 -4.78 120.40 119.19 3ium s VAL 609 Ca 0.00 0.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 3ium s VAL 609 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3ium s VAL 609 CO 0.00 0.42 0.67 -0.55 0.00 0.00 0.00 175.10 175.64 3ium s SER 610 N 0.54 6.31 0.38 3.32 0.15 -1.26 -1.06 113.70 122.08 3ium s SER 610 Ca 0.08 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 3ium s SER 610 Cb -0.12 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 3ium s SER 610 CO -0.00 -0.85 0.64 -0.31 1.20 0.00 0.00 173.24 173.92 3ium s TYR 611 N 2.91 3.52 0.85 3.44 2.02 -1.26 -4.80 117.35 124.01 3ium s TYR 611 Ca 0.22 0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 57.41 3ium s TYR 611 Cb -0.15 -2.11 0.10 0.00 -0.40 0.00 0.00 41.96 39.41 3ium s TYR 611 CO 0.18 -0.02 1.09 -1.25 -1.57 0.00 0.00 175.55 173.99 3ium s PRO 612 N -4.28 1.68 0.30 -1.71 0.04 -1.26 -4.51 135.00 125.26 3ium s PRO 612 Ca 0.44 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.94 3ium s PRO 612 Cb -0.10 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.46 3ium s PRO 612 CO 0.38 -1.93 1.52 0.43 0.04 0.00 0.00 177.00 177.44 3ium n SER 613 N -3.66 3.54 -1.73 6.66 7.64 -0.78 -4.70 113.62 120.59 3ium n SER 613 Ca 0.07 1.16 -0.05 0.00 1.01 0.00 0.00 58.87 61.06 3ium n SER 613 Cb 0.56 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 3ium n SER 613 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3ium n THR 614 N 1.76 0.00 -3.63 0.44 -1.04 -0.19 -0.06 114.28 111.56 3ium n THR 614 Ca 0.08 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.05 61.41 3ium n THR 614 Cb 0.36 0.25 -0.07 0.00 -1.82 0.00 0.00 70.33 69.04 3ium n THR 614 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ium s VAL 616 N -2.14 0.00 0.01 12.58 1.01 1.00 0.39 120.40 133.26 3ium s VAL 616 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3ium s VAL 616 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3ium s VAL 616 CO 0.05 0.00 -0.22 0.42 0.00 0.00 0.00 175.10 175.36 3ium s THR 617 N 0.54 1.72 0.05 3.92 -4.23 -0.79 0.65 115.64 117.50 3ium s THR 617 Ca -0.01 -1.07 -0.28 0.00 -1.18 0.00 0.00 61.69 59.15 3ium s THR 617 Cb -0.05 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.42 3ium s THR 617 CO -0.03 0.35 0.95 0.28 -0.54 0.00 0.00 174.62 175.63 3ium s THR 618 N -0.65 0.00 0.54 3.99 -1.32 -0.54 -0.78 115.64 116.89 3ium s THR 618 Ca 0.08 -0.26 -0.04 0.00 -1.21 0.00 0.00 61.69 60.26 3ium s THR 618 Cb -0.09 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 3ium s THR 618 CO 0.01 0.00 0.83 0.00 -2.21 0.00 0.00 174.62 173.24 3ium s ALA 619 N -3.12 3.45 0.09 11.08 0.00 -1.26 0.33 121.76 132.34 3ium s ALA 619 Ca 0.08 -0.82 -0.19 0.00 0.00 0.00 0.00 51.96 51.04 3ium s ALA 619 Cb -0.01 -2.45 -0.08 0.00 0.00 0.00 0.00 23.12 20.58 3ium s ALA 619 CO -0.04 -0.66 1.57 0.38 0.00 0.00 0.00 175.76 177.01 3ium h ASP 620 N 0.01 0.37 -3.43 0.00 3.04 -0.89 -3.43 116.42 112.10 3ium h ASP 620 Ca -0.46 -0.24 -0.44 0.00 -3.24 0.00 0.00 57.03 52.65 3ium h ASP 620 Cb 1.25 -0.10 -0.34 0.00 -1.04 0.00 0.00 39.33 39.11 3ium h ASP 620 CO 0.59 0.52 -0.78 -1.00 -2.04 0.00 0.00 179.24 176.53 3ium s HIS 621 N -5.25 0.93 -0.12 4.15 3.76 -1.26 -4.83 115.29 112.66 3ium s HIS 621 Ca -0.14 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.37 3ium s HIS 621 Cb 0.08 -0.78 0.03 0.00 1.11 0.00 0.00 32.58 33.02 3ium s HIS 621 CO 0.73 -0.23 0.32 0.34 -0.85 0.00 0.00 174.74 175.05 3ium s ASP 622 N 0.95 -0.34 -0.11 1.40 -1.08 -1.26 -5.05 116.67 111.17 3ium s ASP 622 Ca -0.10 0.65 0.06 0.00 -0.52 0.00 0.00 52.55 52.63 3ium s ASP 622 Cb -0.14 0.64 -0.24 0.00 -1.46 0.00 0.00 42.92 41.71 3ium s ASP 622 CO 0.00 -0.12 0.39 -0.90 0.52 0.00 0.00 175.17 175.06 3ium n ASP 623 N 3.14 1.30 0.39 -0.34 5.68 -1.26 -3.83 116.55 121.62 3ium n ASP 623 Ca -0.15 0.23 -0.18 0.00 -0.50 0.00 0.00 54.79 54.19 3ium n ASP 623 Cb 0.57 -0.23 -0.09 0.00 -1.14 0.00 0.00 41.12 40.23 3ium n ASP 623 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3ium h ARG 624 N 0.02 -0.92 -3.85 0.11 2.43 -1.97 -3.37 114.38 106.83 3ium h ARG 624 Ca -0.40 0.06 -0.60 0.00 -0.81 0.00 0.00 59.98 58.23 3ium h ARG 624 Cb 2.04 0.21 -0.40 0.00 -0.42 0.00 0.00 29.97 31.40 3ium h ARG 624 CO 0.06 -0.60 -0.75 0.08 -1.51 0.00 0.00 179.97 177.25 3ium s VAL 625 N -5.89 1.22 0.30 0.20 1.01 -1.26 -4.39 120.40 111.58 3ium s VAL 625 Ca -0.18 -1.59 -0.30 0.00 0.00 0.00 0.00 61.98 59.92 3ium s VAL 625 Cb 0.03 -1.89 -0.13 0.00 0.00 0.00 0.00 36.38 34.39 3ium s VAL 625 CO 0.60 -0.62 1.39 1.33 0.00 0.00 0.00 175.10 177.80 3ium n VAL 626 N 4.71 1.43 -0.01 2.92 0.24 -1.25 -4.71 118.33 121.66 3ium n VAL 626 Ca -0.01 -0.36 0.23 0.00 -2.04 0.00 0.00 64.34 62.16 3ium n VAL 626 Cb 0.42 -1.62 0.72 0.00 -1.47 0.00 0.00 33.84 31.90 3ium n VAL 626 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3ium h PRO 627 N 3.58 0.00 -0.90 7.34 0.11 -1.87 -2.88 132.00 137.38 3ium h PRO 627 Ca -0.46 0.00 0.24 0.00 0.11 0.00 0.00 66.00 65.89 3ium h PRO 627 Cb 1.27 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 3ium h PRO 627 CO 0.70 0.00 0.35 0.00 -0.21 0.00 0.00 178.00 178.84 3ium h ALA 628 N 1.49 1.44 -1.01 -0.75 0.00 -1.88 0.36 119.26 118.91 3ium h ALA 628 Ca 0.28 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.49 3ium h ALA 628 Cb 1.34 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 3ium h ALA 628 CO -0.00 -0.43 0.64 0.45 0.00 0.00 0.00 179.25 179.90 3ium h HIS 629 N 0.31 1.16 0.14 0.00 3.86 -1.78 -0.18 115.15 118.65 3ium h HIS 629 Ca 0.58 0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 59.55 3ium h HIS 629 Cb 1.17 -0.37 0.01 0.00 1.06 0.00 0.00 27.41 29.28 3ium h HIS 629 CO -0.17 0.49 -1.33 0.77 0.86 0.00 0.00 177.93 178.55 3ium h SER 630 N 1.03 0.45 0.55 2.45 0.02 -0.73 -3.06 113.55 114.26 3ium h SER 630 Ca 0.49 -0.89 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3ium h SER 630 Cb 0.43 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3ium h SER 630 CO -0.25 1.59 -0.33 -0.26 -1.14 0.00 0.00 176.83 176.45 3ium h PHE 631 N -0.25 -0.87 -0.46 3.45 0.04 -0.26 -0.05 116.94 118.54 3ium h PHE 631 Ca -0.27 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.48 3ium h PHE 631 Cb 1.79 0.31 -0.02 0.00 2.20 0.00 0.00 35.95 40.23 3ium h PHE 631 CO 0.14 -0.51 0.27 0.87 -0.60 0.00 0.00 178.31 178.48 3ium h LYS 632 N -0.83 0.63 -0.60 1.51 1.57 -1.22 -1.87 116.57 115.75 3ium h LYS 632 Ca -0.07 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3ium h LYS 632 Cb 0.67 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 3ium h LYS 632 CO 0.07 0.47 0.40 0.35 -0.57 0.00 0.00 179.45 180.17 3ium h PHE 633 N 0.61 0.70 0.51 -1.35 3.57 -1.44 -1.35 116.94 118.19 3ium h PHE 633 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3ium h PHE 633 Cb 0.01 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.52 3ium h PHE 633 CO -0.03 0.42 -0.24 0.00 -2.23 0.00 0.00 178.31 176.23 3ium h ALA 634 N 1.64 -0.68 -0.71 2.41 0.00 -0.44 -2.12 119.26 119.37 3ium h ALA 634 Ca 0.23 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3ium h ALA 634 Cb 0.02 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.94 3ium h ALA 634 CO -0.06 -0.76 -0.17 0.00 0.00 0.00 0.00 179.25 178.26 3ium h ALA 635 N -0.58 0.48 0.22 0.00 0.00 -0.96 -0.60 119.26 117.83 3ium h ALA 635 Ca -0.07 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ium h ALA 635 Cb 0.61 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ium h ALA 635 CO 0.11 -0.42 -0.34 1.15 0.00 0.00 0.00 179.25 179.76 3ium h THR 636 N 0.00 0.00 -0.73 0.00 2.02 -1.15 0.24 112.91 113.29 3ium h THR 636 Ca 0.34 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.68 3ium h THR 636 Cb 0.53 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.83 3ium h THR 636 CO -0.73 0.00 0.22 -0.07 0.37 0.00 0.00 175.52 175.31 3ium h LEU 637 N -0.59 0.10 -0.47 2.58 3.38 -0.73 0.17 115.31 119.75 3ium h LEU 637 Ca -0.03 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ium h LEU 637 Cb 0.54 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3ium h LEU 637 CO -0.10 0.01 0.28 1.56 0.09 0.00 0.00 178.44 180.28 3ium h GLN 638 N 0.32 0.64 -1.94 1.13 4.20 -0.86 0.77 115.11 119.38 3ium h GLN 638 Ca 0.41 -0.06 -0.53 0.00 0.06 0.00 0.00 58.65 58.54 3ium h GLN 638 Cb 0.68 -0.13 -0.19 0.00 0.30 0.00 0.00 27.48 28.13 3ium h GLN 638 CO -0.47 0.48 0.49 0.00 -0.67 0.00 0.00 178.83 178.66 3ium n ALA 639 N -2.25 6.36 0.00 3.87 0.00 0.83 -4.19 120.51 125.12 3ium n ALA 639 Ca 0.02 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.37 3ium n ALA 639 Cb 0.06 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3ium n ALA 639 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ium n ASP 640 N 0.60 0.00 -4.67 0.00 9.92 -0.72 -4.86 116.55 116.83 3ium n ASP 640 Ca 0.48 0.00 -0.50 0.00 -0.53 0.00 0.00 54.79 54.25 3ium n ASP 640 Cb 0.51 0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 41.17 3ium n ASP 640 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3ium n ASN 641 N -1.95 2.95 -1.32 -2.24 5.15 0.23 -3.64 115.26 114.45 3ium n ASN 641 Ca 0.00 1.04 -0.07 0.00 -0.60 0.00 0.00 54.58 54.95 3ium n ASN 641 Cb 0.00 -1.33 0.20 0.00 -0.53 0.00 0.00 39.78 38.12 3ium n ASN 641 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ium n ALA 642 N 4.98 4.51 -2.71 5.20 0.00 -0.22 -4.87 120.51 127.39 3ium n ALA 642 Ca 0.21 -3.11 -0.32 0.00 0.00 0.00 0.00 53.44 50.22 3ium n ALA 642 Cb 0.25 -0.84 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 3ium n ALA 642 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ium s GLY 643 N -2.36 2.94 0.00 0.00 0.00 -1.26 -4.58 107.32 102.06 3ium s GLY 643 Ca 0.46 -0.49 0.28 0.00 0.00 0.00 0.00 44.72 44.98 3ium s GLY 643 CO 0.01 -2.17 1.79 -1.55 0.00 0.00 0.00 173.10 171.19 3ium n PRO 644 N -1.33 1.51 -3.11 2.90 -0.04 -1.26 -4.88 135.00 128.78 3ium n PRO 644 Ca -0.17 -0.80 -0.39 0.00 -0.04 0.00 0.00 63.50 62.10 3ium n PRO 644 Cb 0.67 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.59 3ium n PRO 644 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ium s HIS 645 N -2.05 3.60 0.47 0.54 3.76 -1.26 -5.05 115.29 115.29 3ium s HIS 645 Ca 0.38 1.20 -0.21 0.00 -0.15 0.00 0.00 55.06 56.28 3ium s HIS 645 Cb 0.21 -2.73 -0.08 0.00 1.11 0.00 0.00 32.58 31.08 3ium s HIS 645 CO 0.35 0.16 1.07 -1.25 -0.85 0.00 0.00 174.74 174.22 3ium s PRO 646 N 0.54 3.82 -0.26 8.40 0.04 -1.26 -4.79 135.00 141.48 3ium s PRO 646 Ca 0.35 1.48 0.03 0.00 0.04 0.00 0.00 61.00 62.90 3ium s PRO 646 Cb -0.18 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 32.20 3ium s PRO 646 CO 0.17 -0.43 -0.09 -0.65 0.04 0.00 0.00 177.00 176.04 3ium s GLN 647 N -2.99 2.07 0.38 4.56 -1.52 -1.26 -1.02 119.66 119.88 3ium s GLN 647 Ca 0.65 -1.33 0.08 0.00 -1.95 0.00 0.00 55.36 52.81 3ium s GLN 647 Cb -0.20 -2.86 -0.07 0.00 -0.22 0.00 0.00 33.01 29.65 3ium s GLN 647 CO 0.24 -0.61 -0.02 -0.51 -0.25 0.00 0.00 175.29 174.14 3ium s LEU 648 N 1.14 2.81 -0.02 2.90 1.43 0.16 -4.81 118.68 122.29 3ium s LEU 648 Ca -0.07 -1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 51.71 3ium s LEU 648 Cb -0.20 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.13 3ium s LEU 648 CO -0.06 -0.37 0.04 -0.51 0.23 0.00 0.00 176.35 175.69 3ium s ILE 649 N -2.70 -0.04 -0.19 -0.59 2.07 -1.26 -0.00 121.20 118.49 3ium s ILE 649 Ca 0.34 0.16 -0.02 0.00 -1.41 0.00 0.00 60.65 59.72 3ium s ILE 649 Cb 0.07 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.57 3ium s ILE 649 CO 0.17 0.06 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.57 3ium s ARG 650 N 0.81 3.31 -0.27 3.50 3.52 0.21 -4.54 118.95 125.50 3ium s ARG 650 Ca -0.07 -0.68 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3ium s ARG 650 Cb -0.09 -2.83 0.02 0.00 -1.56 0.00 0.00 34.95 30.48 3ium s ARG 650 CO -0.03 -0.09 -0.00 0.42 -0.81 0.00 0.00 175.30 174.79 3ium s ILE 651 N 1.14 3.31 0.46 4.11 1.09 -1.25 -1.47 121.20 128.59 3ium s ILE 651 Ca 0.01 -0.92 -0.24 0.00 -1.10 0.00 0.00 60.65 58.41 3ium s ILE 651 Cb -0.14 -2.71 -0.07 0.00 -1.06 0.00 0.00 42.46 38.48 3ium s ILE 651 CO -0.03 0.13 1.25 -1.61 -0.10 0.00 0.00 174.94 174.59 3ium s GLU 652 N 1.39 3.69 0.00 2.79 0.41 0.15 -4.72 118.70 122.42 3ium s GLU 652 Ca 0.01 2.00 0.10 0.00 -0.41 0.00 0.00 54.97 56.66 3ium s GLU 652 Cb -0.17 -2.49 0.16 0.00 -1.78 0.00 0.00 34.13 29.85 3ium s GLU 652 CO -0.02 -0.67 1.06 0.25 -0.49 0.00 0.00 175.26 175.39 3ium n THR 653 N -0.39 0.00 -0.01 3.63 -2.24 -1.26 -0.22 114.28 113.78 3ium n THR 653 Ca 0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ium n THR 653 Cb 0.46 0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3ium n THR 653 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3ium n PRO 662 N 0.19 -0.02 0.04 -0.78 -0.02 -1.26 -4.98 135.00 128.17 3ium n PRO 662 Ca 0.02 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3ium n PRO 662 Cb 0.87 -0.02 0.58 0.00 -0.02 0.00 0.00 33.50 34.90 3ium n PRO 662 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3ium h VAL 663 N -0.01 0.91 -0.80 -1.45 -1.51 -2.05 -0.20 116.25 111.14 3ium h VAL 663 Ca -0.00 -0.07 0.13 0.00 -1.23 0.00 0.00 66.70 65.53 3ium h VAL 663 Cb 0.01 0.67 -0.09 0.00 -2.13 0.00 0.00 31.29 29.75 3ium h VAL 663 CO 0.00 0.04 0.40 0.00 -1.23 0.00 0.00 177.57 176.78 3ium h ALA 664 N 1.79 1.17 -0.08 5.19 0.00 -2.03 0.81 119.26 126.11 3ium h ALA 664 Ca 0.18 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ium h ALA 664 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ium h ALA 664 CO -0.03 -0.09 -0.57 0.87 0.00 0.00 0.00 179.25 179.43 3ium h LYS 665 N 0.60 0.23 -0.16 0.00 1.57 -1.47 -0.53 116.57 116.82 3ium h LYS 665 Ca 0.43 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.88 3ium h LYS 665 Cb 0.57 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3ium h LYS 665 CO -0.34 0.74 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.56 3ium h LEU 666 N 0.18 0.66 -0.04 2.94 3.38 -0.55 -1.10 115.31 120.78 3ium h LEU 666 Ca -0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3ium h LEU 666 Cb 1.05 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ium h LEU 666 CO 0.09 1.13 -0.00 0.40 0.09 0.00 0.00 178.44 180.15 3ium h ILE 667 N 0.42 1.25 -0.80 1.22 2.04 0.71 -1.18 117.51 121.17 3ium h ILE 667 Ca -0.01 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.13 3ium h ILE 667 Cb 1.21 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.93 3ium h ILE 667 CO 0.12 0.20 0.53 -0.08 0.00 0.00 0.00 178.15 178.92 3ium h GLU 668 N -0.22 0.95 -0.29 2.37 4.57 -1.08 -0.55 114.58 120.32 3ium h GLU 668 Ca 0.01 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3ium h GLU 668 Cb 0.33 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 3ium h GLU 668 CO 0.00 0.63 -0.12 0.37 -1.18 0.00 0.00 179.01 178.71 3ium h GLN 669 N 0.98 0.60 -0.35 1.92 4.15 -0.98 -1.70 115.11 119.73 3ium h GLN 669 Ca 0.32 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 3ium h GLN 669 Cb 0.07 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 3ium h GLN 669 CO -0.10 0.82 -0.17 0.77 -1.93 0.00 0.00 178.83 178.22 3ium h SER 670 N 0.35 0.64 -0.68 -0.69 0.02 -0.80 -2.08 113.55 110.31 3ium h SER 670 Ca 0.07 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 3ium h SER 670 Cb 0.63 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3ium h SER 670 CO 0.04 0.82 0.11 0.00 -1.14 0.00 0.00 176.83 176.66 3ium h ALA 671 N 1.24 0.91 -0.36 3.77 0.00 -0.99 -1.78 119.26 122.05 3ium h ALA 671 Ca 0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 3ium h ALA 671 Cb 0.62 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3ium h ALA 671 CO 0.04 0.67 -0.24 -0.44 0.00 0.00 0.00 179.25 179.29 3ium h ASP 672 N 1.05 0.73 -0.23 0.00 3.32 -1.08 -2.05 116.42 118.15 3ium h ASP 672 Ca 0.21 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 3ium h ASP 672 Cb 0.44 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 3ium h ASP 672 CO 0.01 0.94 -0.22 0.40 -1.72 0.00 0.00 179.24 178.66 3ium h ILE 673 N 0.62 1.32 -0.15 0.35 2.04 -1.08 -1.24 117.51 119.37 3ium h ILE 673 Ca 0.09 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.40 3ium h ILE 673 Cb 0.73 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3ium h ILE 673 CO 0.06 0.43 -0.64 1.88 0.00 0.00 0.00 178.15 179.88 3ium h TYR 674 N 0.25 0.73 0.26 1.37 0.05 -1.36 -1.70 116.97 116.57 3ium h TYR 674 Ca 0.04 -0.29 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 3ium h TYR 674 Cb 0.76 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.38 3ium h TYR 674 CO 0.08 1.05 -0.12 0.00 -1.05 0.00 0.00 178.16 178.11 3ium h ALA 675 N 0.88 -0.34 -0.52 3.88 0.00 -1.40 -1.82 119.26 119.95 3ium h ALA 675 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ium h ALA 675 Cb 1.21 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3ium h ALA 675 CO 0.12 -0.55 0.12 0.35 0.00 0.00 0.00 179.25 179.29 3ium h PHE 676 N -0.63 0.19 0.38 0.00 3.57 -1.25 0.19 116.94 119.39 3ium h PHE 676 Ca -0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3ium h PHE 676 Cb 0.45 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3ium h PHE 676 CO 0.01 0.00 -0.29 1.15 -2.23 0.00 0.00 178.31 176.96 3ium h THR 677 N 0.26 0.40 -0.83 4.41 2.02 -1.23 -0.72 112.91 117.22 3ium h THR 677 Ca 0.26 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.42 3ium h THR 677 Cb 0.35 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3ium h THR 677 CO -0.33 0.00 0.43 -0.07 0.37 0.00 0.00 175.52 175.92 3ium h LEU 678 N -0.67 1.07 -0.29 2.58 3.38 -1.07 -2.77 115.31 117.54 3ium h LEU 678 Ca -0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3ium h LEU 678 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3ium h LEU 678 CO 0.00 0.88 0.18 0.22 0.09 0.00 0.00 178.44 179.82 3ium h TYR 679 N 1.17 0.38 0.00 1.13 3.20 -0.81 -2.52 116.97 119.52 3ium h TYR 679 Ca 0.29 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 3ium h TYR 679 Cb 0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 3ium h TYR 679 CO 0.01 0.28 0.16 0.39 -1.64 0.00 0.00 178.16 177.35 3ium n GLU 680 N -4.86 0.63 -0.77 1.82 -0.58 -0.29 -3.77 120.64 112.83 3ium n GLU 680 Ca -0.02 -0.29 0.02 0.00 -0.42 0.00 0.00 57.16 56.46 3ium n GLU 680 Cb 0.05 -1.61 0.03 0.00 -0.57 0.00 0.00 31.44 29.33 3ium n GLU 680 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ium n GLY 682 N 2.65 1.21 3.72 0.62 0.00 -1.17 -5.01 105.19 107.22 3ium n GLY 682 Ca 0.12 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3ium n GLY 682 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ium s TYR 683 N -0.38 3.63 -0.10 1.61 2.02 -0.96 -4.92 117.35 118.25 3ium s TYR 683 Ca 0.15 1.42 0.09 0.00 -0.37 0.00 0.00 57.07 58.35 3ium s TYR 683 Cb 0.16 -2.90 -0.24 0.00 -0.40 0.00 0.00 41.96 38.58 3ium s TYR 683 CO -0.05 0.09 0.45 0.54 -1.57 0.00 0.00 175.55 175.01 3ium n ARG 684 N 3.66 0.67 -4.34 -0.62 1.74 -1.26 -4.62 116.66 111.88 3ium n ARG 684 Ca 0.01 0.23 -0.17 0.00 -0.77 0.00 0.00 57.85 57.14 3ium n ARG 684 Cb 0.51 -1.71 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 3ium n ARG 684 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3ium s GLU 685 N -2.57 1.39 0.31 5.56 0.41 -1.26 -4.83 118.70 117.72 3ium s GLU 685 Ca -0.11 -1.73 -0.29 0.00 -0.41 0.00 0.00 54.97 52.44 3ium s GLU 685 Cb 0.07 -0.53 -0.10 0.00 -1.78 0.00 0.00 34.13 31.79 3ium s GLU 685 CO 0.80 -0.17 1.35 -0.51 -0.49 0.00 0.00 175.26 176.24 3ium s LEU 686 N -3.33 4.41 0.43 1.80 1.43 -1.26 -4.88 118.68 117.28 3ium s LEU 686 Ca 0.32 2.70 0.21 0.00 -1.03 0.00 0.00 54.13 56.33 3ium s LEU 686 Cb 0.07 -3.64 1.16 0.00 0.03 0.00 0.00 46.19 43.80 3ium s LEU 686 CO 0.11 -0.59 1.81 -0.65 0.23 0.00 0.00 176.35 177.25 3ium h PRO 687 N 3.76 0.33 -3.05 1.29 0.11 -1.98 -3.39 132.00 129.07 3ium h PRO 687 Ca -0.48 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.42 3ium h PRO 687 Cb 1.22 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.97 3ium h PRO 687 CO 0.68 0.22 -0.48 0.50 -0.21 0.00 0.00 178.00 178.71 3ium s ARG 688 N -5.39 0.22 -0.37 1.05 3.52 -1.01 -4.93 118.95 112.03 3ium s ARG 688 Ca -0.08 0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 3ium s ARG 688 Cb 0.24 -0.08 0.01 0.00 -1.56 0.00 0.00 34.95 33.56 3ium s ARG 688 CO 0.79 -0.14 1.31 -0.65 -0.81 0.00 0.00 175.30 175.80 3ium s GLN 689 N 1.08 3.75 0.00 5.12 -1.52 -1.26 -4.50 119.66 122.33 3ium s GLN 689 Ca -0.08 1.01 0.10 0.00 -1.95 0.00 0.00 55.36 54.44 3ium s GLN 689 Cb -0.09 -3.94 0.59 0.00 -0.22 0.00 0.00 33.01 29.35 3ium s GLN 689 CO -0.07 -1.33 1.03 -0.35 -0.25 0.00 0.00 175.29 174.32