NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 85 A 4.3128 8.2649 123.5918 52.0479 18.8780 176.3089 86 L 4.6648 7.9749 121.7632 54.6437 43.9185 174.6968 87 F 5.3637 9.2707 118.3452 55.8199 44.1056 174.2391 88 V 5.0834 9.2783 120.1241 59.7587 34.8294 174.6905 89 A 4.7112 9.3381 126.3315 52.1422 18.5721 178.1873 90 L 3.6483 9.1337 123.6056 57.2690 42.3158 176.3718 91 Y 4.9333 7.7150 114.3710 56.7851 42.4509 173.8192 92 D 5.1893 8.9161 119.6615 53.9971 42.8185 176.0155 93 Y 4.6261 8.4017 121.7853 55.9699 42.4705 173.2245 94 E 4.4424 7.8987 127.0441 53.8878 31.3132 175.4097 95 A 3.9502 8.5939 130.7219 52.1574 19.2238 176.6808 96 I 4.2569 8.0518 119.3805 62.6400 39.6491 176.8092 97 T 4.2255 7.5915 108.6081 60.9734 69.6422 173.7809 98 E 4.1757 8.4931 121.8324 58.6554 30.0796 176.6520 99 D 4.6539 7.9903 116.7342 55.5720 41.9000 176.3900 100 D 5.3264 7.5164 117.4440 53.7314 42.3354 175.6697 101 L 4.8224 8.5184 122.9371 53.5789 43.3830 176.4818 102 S 4.6707 8.9213 122.8185 58.8319 64.0110 173.2110 103 F 4.9605 8.3387 115.9935 56.9826 41.5913 172.2659 104 H 5.6427 8.7028 115.7766 53.5028 32.1619 174.1044 105 K 4.4344 9.4482 122.0155 58.4408 32.4101 177.0738 106 G 4.0812 9.4651 114.3889 45.3602 0.0000 173.7434 107 E 4.0935 8.2750 120.8580 56.3005 31.0052 175.7856 108 K 5.1433 8.2359 123.4858 54.7466 35.5405 175.0383 109 F 5.3975 9.4784 121.2136 55.7640 43.9768 173.6053 110 Q 4.8976 8.7853 120.2773 54.4537 31.7198 174.2266 111 I 4.2686 8.4758 127.7844 61.3822 37.3144 175.7716 112 L 4.4219 9.2485 127.2233 56.1392 43.1521 176.9078 113 N 5.0339 7.8282 116.7270 52.0131 42.3148 175.1817 114 S 4.3173 8.4676 116.9236 57.9712 64.4715 174.3936 115 S 4.4509 8.1004 116.4392 59.4174 63.5986 174.8860 116 E 4.3780 8.2138 121.0890 55.7569 29.5525 175.5927 117 G 3.8098 6.6416 102.7672 44.7951 0.0000 173.8456 118 D 4.6966 8.9030 120.1216 54.2007 42.4275 176.0459 119 W 4.4486 8.0988 119.1938 54.7493 30.4537 175.7745 120 W 5.0469 8.6043 125.3727 56.1393 30.8822 175.4267 121 E 5.1318 9.4761 123.5002 55.0823 30.3575 174.6520 122 A 5.3202 9.3501 129.0175 50.0510 23.2214 174.3943 123 R 4.9752 8.7247 119.7333 54.2749 33.0121 174.9793 124 S 4.3407 9.3760 122.5413 58.4033 62.7796 174.9153 125 L 4.1734 8.3087 127.7416 58.1582 41.6246 179.1815 126 T 3.9733 8.0590 115.1744 66.4711 68.5850 175.5694 127 T 4.2250 7.9866 108.8292 61.0533 69.7917 175.8102 128 G 3.8810 8.4851 110.3581 45.5261 0.0000 172.7871 129 E 4.4138 7.9064 122.0709 55.7694 30.7433 175.5383 130 T 5.0820 8.3429 116.4559 59.9397 71.7672 173.5987 131 G 3.8687 8.2224 109.4244 46.8187 0.0000 170.7422 132 Y 5.8191 8.3661 118.2193 56.9368 39.7417 175.5569 133 I 4.9212 9.2355 117.2591 58.2871 41.7266 173.5343 134 P 2.9700 0.0000 0.0000 61.2462 30.6406 177.0787 135 S 3.1625 7.4463 120.2816 60.9546 62.3635 176.2601 136 N 4.4640 7.5519 114.5479 53.9613 37.2422 174.5091 137 Y 4.8472 8.3947 116.8458 58.3041 39.3892 175.4397 138 V 5.1117 7.7706 111.7548 59.5187 35.5166 174.8304 139 A 4.8442 9.0923 123.1883 49.4227 22.7805 174.1040 140 P 3.5457 0.0000 0.0000 62.7045 32.3201 176.7281 141 V 3.8501 7.9391 121.1087 63.1541 31.0621 175.7194 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 85 A 8.26 4.31 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 86 L 7.97 4.66 0.00 1.75 1.70 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.27 5.36 0.00 3.11 3.07 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 88 V 9.28 5.08 2.11 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 0.93 0.00 0.00 1.05 0.00 0.00 89 A 9.34 4.71 1.69 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 90 L 9.13 3.65 0.00 0.50 1.04 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 7.72 4.93 0.00 2.77 2.80 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 0.00 0.00 0.00 0.00 92 D 8.92 5.19 0.00 2.68 2.65 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 93 Y 8.40 4.63 0.00 2.46 1.43 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 94 E 7.90 4.44 0.00 1.78 1.57 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 1.98 2.13 0.00 95 A 8.59 3.95 1.23 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 96 I 8.05 4.26 1.83 0.00 0.00 0.83 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 0.64 0.88 0.00 0.00 97 T 7.59 4.23 4.21 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 1.15 0.00 0.00 98 E 8.49 4.18 0.00 1.95 2.01 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 2.27 2.33 0.00 99 D 7.99 4.65 0.00 2.80 2.79 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 0.00 100 D 7.52 5.33 0.00 2.76 3.03 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 0.00 101 L 8.52 4.82 0.00 1.84 1.86 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.92 4.67 0.00 3.80 3.74 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 0.00 103 F 8.34 4.96 0.00 3.53 3.54 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 0.00 104 H 8.70 5.64 0.00 3.29 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.45 4.43 0.00 1.77 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.50 7.81 106 G 9.47 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.27 4.09 0.00 2.19 1.85 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 1.52 2.06 0.00 108 K 8.24 5.14 0.00 1.64 1.65 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.56 7.81 109 F 9.48 5.40 0.00 2.96 2.91 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 0.00 110 Q 8.79 4.90 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 111 I 8.48 4.27 1.51 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.03 0.60 0.00 0.00 112 L 9.25 4.42 0.00 1.61 1.69 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 N 7.83 5.03 0.00 2.82 2.70 0.00 0.00 6.71 7.63 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 0.00 114 S 8.47 4.32 0.00 2.72 2.63 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 0.00 115 S 8.10 4.45 0.00 3.95 4.10 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 0.00 116 E 8.21 4.38 0.00 1.98 2.01 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 2.24 2.30 0.00 117 G 6.64 3.81 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 0.00 118 D 8.90 4.70 0.00 2.60 2.51 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 0.00 119 W 8.10 4.45 0.00 2.94 3.00 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 0.00 120 W 8.60 5.05 0.00 3.26 2.98 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 0.00 121 E 9.48 5.13 0.00 2.39 1.98 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 2.02 1.54 0.00 122 A 9.35 5.32 1.17 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 0.00 123 R 8.72 4.98 0.00 1.90 1.93 0.00 3.12 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 124 S 9.38 4.34 0.00 3.98 3.76 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 0.00 125 L 8.31 4.17 0.00 1.50 1.67 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.06 3.97 4.18 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 1.20 0.00 0.00 127 T 7.99 4.22 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 128 G 8.49 3.88 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 0.00 129 E 7.91 4.41 0.00 2.06 1.90 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 2.36 2.30 0.00 130 T 8.34 5.08 4.20 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 1.22 0.00 0.00 131 G 8.22 3.87 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 0.00 132 Y 8.37 5.82 0.00 3.16 3.11 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 0.00 133 I 9.24 4.92 1.60 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.86 0.00 0.00 134 P 0.00 2.97 0.00 1.21 0.70 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 135 S 7.45 3.16 0.00 2.72 2.63 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 0.00 136 N 7.55 4.46 0.00 2.79 2.82 0.00 0.00 5.92 7.55 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 0.00 137 Y 8.39 4.85 0.00 3.02 3.32 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 0.00 138 V 7.77 5.11 2.28 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 0.29 0.00 0.00 0.95 0.00 0.00 139 A 9.09 4.84 1.14 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 0.00 140 P 0.00 3.55 0.00 1.69 1.59 0.00 3.51 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.44 0.00 141 V 7.94 3.85 2.10 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 0.68 0.00 0.00 0.98 0.00 0.00