NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.3233 8.2393 120.8564 55.7216 31.9031 175.3412 10 V 4.2662 7.2532 114.2100 58.8644 33.7428 172.5251 11 A 3.7735 8.7247 125.2757 53.3610 19.7377 177.8371 12 Y 4.6191 7.5522 112.5844 55.8563 39.8787 175.6832 13 K 4.7059 8.3649 123.3178 54.0045 34.8044 176.1508 14 L 4.1098 8.3530 121.9865 54.6642 42.3227 178.1919 15 K 4.1714 8.5055 122.5390 56.0091 34.0331 177.7132 16 E 3.8861 8.7689 123.3186 59.5654 29.6085 178.5030 17 N 4.2020 8.2810 116.1423 57.0655 38.8739 176.2364 18 A 4.1776 8.0485 121.2105 55.1810 18.3824 179.6869 19 K 3.9162 8.0793 116.8626 59.6700 32.1198 179.5283 20 L 4.0072 8.0459 119.2725 57.9330 41.4334 179.4605 21 E 3.9435 8.3140 118.4643 59.2557 29.3142 178.9180 22 N 4.2720 7.8945 116.6942 56.8759 39.0709 176.9906 23 I 3.7189 7.7447 121.1757 64.2172 37.0622 178.5036 24 V 3.5379 8.0790 119.0744 66.0216 31.4095 177.8712 25 A 3.9688 8.2400 120.6699 55.1023 18.1260 179.5274 26 R 3.7840 8.3607 117.4747 59.6280 30.2169 178.6490 27 L 3.9676 8.2945 119.0875 57.8940 41.6369 179.3125 28 E 3.9543 8.4579 118.7513 59.5676 29.4433 179.0801 29 N 4.3172 8.1371 116.8356 56.5620 38.9354 176.4173 30 D 4.3816 8.3154 120.6166 57.7428 40.9196 178.6995 31 N 4.3039 8.3172 116.4047 56.1672 38.5202 177.1549 32 A 4.1332 8.0040 122.0441 55.5843 18.5097 179.5291 33 N 4.3354 8.2258 114.6478 56.4232 38.5923 177.7831 34 L 4.1613 8.3557 120.8655 57.7244 41.5897 179.3959 35 E 4.0268 8.4112 119.0215 59.2185 29.3980 179.4726 36 K 3.9932 8.1728 118.6774 59.3094 32.0608 179.1028 37 D 4.3507 8.2729 119.2781 57.4780 40.8015 178.9117 38 I 3.6711 7.7849 119.8725 64.3922 37.1238 178.2632 39 A 4.1664 8.1554 121.6261 55.4958 18.1152 179.5070 40 N 4.3402 8.2851 114.8458 56.1646 38.4941 177.8229 41 L 3.9721 8.0273 120.5971 57.8878 41.7874 179.2717 42 E 3.9735 8.7805 118.8186 59.2313 29.3273 179.5966 43 K 3.9389 8.1989 118.4597 59.6168 32.1060 178.9101 44 D 4.3611 8.2205 119.0856 57.5639 40.7845 179.1214 45 I 3.6583 8.1243 120.1792 64.2502 36.6295 178.0175 46 A 3.9802 7.9796 121.6058 55.4826 18.1276 179.4782 47 N 4.2869 8.1036 114.4782 56.5275 38.6525 177.5725 48 L 3.9843 8.1655 120.6066 58.0611 41.5140 179.5247 49 E 4.0246 8.5922 117.7673 59.3214 29.6307 179.3095 50 R 4.1124 7.7791 115.5418 59.2131 29.5059 178.5923 51 D 4.4300 7.9280 118.6078 56.5532 40.8429 178.1671 52 V 4.0332 7.4578 110.4174 61.9420 32.1142 176.4097 53 A 4.3537 7.7026 125.3914 52.2287 18.7951 176.7456 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 9 R 8.24 4.32 0.00 1.78 2.01 0.00 3.14 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 10 V 7.25 4.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 11 A 8.72 3.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.55 4.62 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.36 4.71 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.42 7.81 14 L 8.35 4.11 0.00 1.65 1.63 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.51 4.17 0.00 1.80 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.51 7.81 16 E 8.77 3.89 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 17 N 8.28 4.20 0.00 2.79 2.82 0.00 0.00 7.02 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.05 4.18 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.08 3.92 0.00 2.02 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 20 L 8.05 4.01 0.00 1.84 1.72 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.31 3.94 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 22 N 7.89 4.27 0.00 2.74 3.03 0.00 0.00 7.21 9.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.74 3.72 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.91 0.00 0.00 24 V 8.08 3.54 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 25 A 8.24 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.36 3.78 0.00 1.85 2.09 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 27 L 8.29 3.97 0.00 1.88 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 3.95 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 29 N 8.14 4.32 0.00 2.91 2.94 0.00 0.00 7.25 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.32 4.38 0.00 2.99 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.32 4.30 0.00 2.90 2.87 0.00 0.00 6.98 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.00 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.23 4.34 0.00 2.88 2.88 0.00 0.00 7.14 6.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.36 4.16 0.00 1.89 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.41 4.03 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 36 K 8.17 3.99 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 37 D 8.27 4.35 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.78 3.67 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.96 0.00 0.00 39 A 8.16 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.29 4.34 0.00 2.91 2.87 0.00 0.00 7.05 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.03 3.97 0.00 1.88 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.78 3.97 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 43 K 8.20 3.94 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.63 7.81 44 D 8.22 4.36 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.12 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.91 0.00 0.00 46 A 7.98 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.10 4.29 0.00 2.95 2.87 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.17 3.98 0.00 1.81 1.72 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.59 4.02 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 50 R 7.78 4.11 0.00 2.06 2.18 0.00 2.78 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 51 D 7.93 4.43 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.46 4.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 53 A 7.70 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00