NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3057 8.4449 121.4763 56.0842 31.2869 176.6137 6 L 4.3587 7.7541 114.7092 53.6124 42.2963 175.3627 7 Q 4.3221 8.0853 120.6757 56.6302 30.7190 174.8751 8 G 3.6053 8.0899 109.6705 43.4773 0.0000 171.7428 9 K 4.4730 7.7981 121.6523 55.7015 32.9951 177.0153 10 W 5.3908 8.6854 125.9748 55.4915 34.1529 173.4877 11 Y 5.5517 9.4014 119.5024 55.5160 41.8856 174.7310 12 T 4.3662 8.8263 117.8571 63.6220 69.0856 174.7364 13 I 4.2939 8.9106 128.4368 63.1091 38.5055 176.2439 14 V 5.0311 7.4608 120.0833 59.9663 35.2002 173.9137 15 I 5.0750 8.7223 122.2421 59.5773 41.0519 174.2488 16 A 5.6003 9.5609 126.9301 49.2344 21.8215 175.1342 17 A 4.9462 8.3504 121.3537 50.5354 21.9641 176.2854 18 D 4.3622 8.8145 119.6421 55.5064 40.1288 176.6812 19 N 4.7003 7.7546 118.0310 51.0237 37.9175 174.5416 20 L 3.9150 8.3373 125.2147 58.2169 41.7091 177.9567 21 E 3.9752 8.1999 118.4116 59.0987 29.5025 178.7868 22 K 3.7476 8.1627 118.7752 58.1550 31.8521 178.0728 23 I 4.2455 7.3071 109.6504 60.2899 38.6473 175.6464 24 E 4.2029 7.5240 121.4225 55.5632 30.0350 175.9053 25 E 4.0482 8.5951 119.6027 58.7635 29.6803 178.1779 26 G 3.9976 9.1576 112.1893 45.0788 0.0000 173.7963 27 G 3.8372 8.1704 109.7658 44.3095 0.0000 173.3081 28 P 4.4025 0.0000 0.0000 64.5269 31.6739 177.1638 29 L 3.8148 7.6325 117.8745 54.2416 41.7249 177.5778 30 R 3.9008 6.8726 120.5888 55.0936 28.2380 174.2704 31 F 4.7144 7.2975 119.1597 57.0301 40.4178 174.6581 32 Y 4.7462 9.5191 122.6745 56.2067 38.7269 175.4685 33 F 4.6891 9.8007 124.2685 58.1727 40.1729 176.2877 34 R 4.3149 9.0588 117.6567 56.8340 33.6364 174.9787 35 H 5.1701 7.7600 115.2670 55.2653 33.5251 172.4044 36 I 5.0933 8.8162 123.8762 59.6783 40.6964 174.2276 37 D 5.3326 9.3143 126.2219 52.6683 44.0650 174.6149 38 C 5.2730 9.8744 119.8943 55.4480 40.6170 173.0587 39 Y 4.7142 8.9072 119.3952 56.2725 41.4644 175.3587 40 K 3.8274 9.3219 119.4160 58.2622 29.4574 174.6987 41 N 4.1352 8.2671 107.7418 55.5043 36.5991 175.1715 42 C 4.4807 8.3915 111.7865 57.6758 40.2935 173.3720 43 S 4.2171 8.0819 112.8056 59.5434 63.7454 172.7747 44 E 5.6887 7.7687 119.5974 53.5048 34.2637 173.4504 *46 E 4.5649 8.5343 119.8173 56.8373 31.1468 174.8067 47 I 4.7691 8.7534 128.3810 59.7020 40.1147 174.7439 48 T 4.8643 8.5183 123.8058 61.6895 71.3568 173.4032 49 F 5.2873 8.0211 119.6964 56.4102 42.0518 172.2650 50 Y 5.2918 9.6274 116.7795 56.3446 41.2740 175.3265 51 V 5.0773 9.0211 121.1439 61.4364 35.3046 174.1883 52 I 5.0250 8.7983 128.0990 60.3198 38.6374 175.3825 53 T 4.5193 8.6134 123.6133 63.1233 71.9025 174.4162 54 N 4.5186 9.0485 123.2022 53.1204 37.5767 173.8112 55 N 4.4101 8.2572 111.4020 54.4675 36.0544 173.1755 56 Q 4.7310 7.7046 118.5696 54.4176 32.4483 173.6257 57 C 5.1569 8.8013 122.7663 56.4445 42.8985 172.8398 58 S 4.8171 9.2302 118.1191 56.3551 64.7467 172.5219 59 K 4.1370 8.6496 128.8579 55.8137 33.0587 175.8528 60 T 4.4185 8.2547 123.0882 61.8187 72.7858 172.8631 61 T 4.6368 8.2017 121.1689 61.8131 71.0413 173.7711 62 V 4.5784 8.5087 119.2238 59.4476 35.8068 174.5895 63 I 4.8116 8.4386 122.7724 59.6094 39.8203 175.2056 64 G 4.4533 8.9372 114.1362 44.8463 0.0000 171.6238 65 Y 5.4533 7.7839 122.2727 54.7090 40.5255 174.8271 66 L 3.7169 8.9230 126.5566 54.8827 42.7713 176.3512 67 K 4.4478 8.9098 125.8609 54.4095 34.4162 177.6609 68 G 3.6544 8.8265 111.1113 48.9566 0.0000 174.3821 69 N 4.4406 7.9587 113.9197 53.2177 37.4040 175.8338 70 G 3.8295 8.3704 108.6438 45.2835 0.0000 173.6646 71 T 4.5307 7.8142 110.1693 60.7118 71.5304 173.2088 72 Y 4.7032 8.6310 119.5030 56.0220 41.1474 174.7847 73 E 5.0710 7.8544 121.5979 54.9179 32.9982 174.9964 74 T 4.9682 8.7397 116.6187 60.9711 71.5967 172.2253 75 Q 4.9602 8.7166 126.3468 55.2187 29.9651 175.2926 76 F 4.4237 9.4291 121.2782 58.8087 43.3294 173.5126 77 E 3.4876 9.6066 129.7625 57.4889 27.6095 173.4871 78 G 3.9493 7.9153 104.1611 44.0620 0.0000 171.5745 79 N 5.4125 8.7622 116.5668 51.5839 42.1242 173.6623 80 N 5.4759 9.0790 118.9425 51.5799 42.8449 173.5448 81 I 5.0098 8.8685 123.8714 59.6348 39.9295 174.5570 82 F 5.6092 8.7724 122.1754 55.3785 41.8963 173.6016 83 Q 5.0317 9.0063 117.5858 54.5459 32.8293 171.4744 84 P 4.3107 0.0000 0.0000 62.9358 31.4450 175.9979 85 L 4.3692 9.0268 124.7031 56.4339 43.3259 176.7387 86 Y 4.9743 7.5255 118.4024 56.3780 42.3423 173.6143 87 I 4.9292 7.6154 126.4081 59.6101 40.6138 174.7507 88 T 4.6405 8.7943 115.8238 59.1681 71.9157 174.9349 89 S 4.1901 8.8155 116.3675 60.9325 62.9523 174.9696 90 D 4.9126 7.9485 119.1311 54.5265 42.4677 176.0133 91 K 5.1597 8.4449 117.1769 54.7181 37.1161 175.5295 92 I 4.5822 8.4934 123.6693 59.4704 40.5316 174.4003 93 F 4.8857 9.4640 126.7794 56.2152 40.3941 175.0248 94 F 5.2508 9.4388 123.1517 55.9091 42.1705 174.5994 95 T 4.9106 8.9431 116.4727 60.4992 69.9452 172.5673 96 N 5.5945 8.6890 125.1098 51.8950 42.6828 173.1533 97 K 4.6120 9.3075 127.3924 55.2553 34.5291 174.1696 98 N 5.9613 9.1221 130.1275 51.4546 42.4499 172.7684 *100 D 4.7323 8.3386 116.6130 53.0836 40.6585 175.8305 101 R 3.8181 8.5730 118.0492 59.4932 29.9452 177.4191 102 A 4.0353 7.9161 118.8509 53.4679 18.5593 177.9734 103 G 4.0001 8.1763 103.5896 44.8811 0.0000 173.6909 104 Q 4.0123 8.2769 122.1028 55.7405 29.4212 174.6297 105 E 4.7575 8.6653 126.2463 54.9674 31.1662 174.6526 106 T 4.9081 8.9752 122.9083 62.0102 71.5237 173.2548 107 N 5.1562 9.5091 124.0692 51.8969 41.7213 174.1672 *109 I 4.4335 7.9810 120.2225 61.3730 39.2305 174.7522 110 V 4.6309 8.7972 126.5425 60.9812 34.5235 174.1437 111 V 4.4367 8.6343 128.2283 61.1759 33.0710 174.3099 112 A 4.7640 8.6569 131.0379 51.2916 20.8836 175.9953 113 G 4.7969 9.3569 107.1505 45.3519 0.0000 173.7278 114 K 4.3761 9.1004 118.2354 57.4852 32.0322 177.7058 115 G 3.7682 8.4110 115.1096 45.9814 0.0000 173.8194 116 N 4.4913 7.6396 116.7912 52.5250 39.2185 174.6149 117 A 4.2591 8.1813 122.9274 51.7194 19.2120 177.6693 118 L 4.3307 8.1953 120.2157 54.7199 42.3796 178.3342 119 T 4.2826 8.9380 114.1284 60.6120 71.0729 174.0730 120 P 4.2609 0.0000 0.0000 65.8382 31.1858 178.8842 121 E 4.0018 8.1412 116.9251 59.3826 29.4636 179.0724 122 E 4.1363 8.2710 118.5702 59.5411 29.5012 179.1185 123 N 4.4506 8.6691 117.0228 56.2080 38.4844 177.1102 124 E 3.8638 8.2269 120.7614 59.2011 29.7243 178.6944 125 I 3.4374 7.7509 121.4345 63.5312 37.0315 178.0349 126 L 4.2423 8.0788 120.8749 58.3243 41.8838 179.2054 127 V 3.5108 7.9654 118.2107 66.0789 31.5309 178.0442 128 Q 3.9083 8.1334 118.0001 58.8859 28.3979 178.7680 129 F 4.6325 8.0929 118.6982 60.5826 38.8982 177.5592 130 A 4.0633 8.5079 120.8305 55.4520 18.1084 179.4511 131 H 4.2511 8.4072 114.8896 59.1500 28.6145 177.7538 132 E 4.0662 8.3465 119.8302 58.5681 29.5601 177.9497 133 K 4.3037 8.1213 116.0792 55.0333 33.2079 176.2316 134 K 3.8301 7.8932 117.3169 57.9355 29.7102 176.0694 135 I 4.4555 8.0153 119.0516 58.5391 39.4053 174.7551 136 P 4.3259 0.0000 0.0000 62.6761 31.7456 177.7902 137 V 3.5920 8.5313 122.2472 65.6752 31.6489 177.2940 138 E 4.1607 8.1249 115.7188 57.9191 30.1844 176.6858 139 N 4.6999 8.3372 117.7917 53.2948 38.6306 174.0136 140 I 4.3519 7.3319 120.7036 60.5202 37.8431 175.1994 141 L 4.6976 8.9708 128.3165 52.8968 44.3195 175.7131 142 N 5.2103 8.8479 121.7553 52.3689 38.9513 174.9111 143 I 4.4198 8.5716 117.1642 60.1852 39.0315 177.4164 144 L 4.0405 8.0936 123.8126 58.3145 42.0639 178.6444 145 A 3.9580 8.0869 120.3235 54.8615 18.3796 177.7872 146 T 4.3170 7.8111 104.3014 61.6728 68.9994 175.3574 147 D 3.6289 7.9330 123.6752 53.9510 39.4522 175.1877 148 T 4.2838 7.5911 112.5208 61.0747 69.2698 176.1402 149 C 4.3031 7.3553 118.9706 55.1723 41.2742 171.8217 150 P 4.3171 0.0000 0.0000 62.4191 31.5094 176.4307 151 E 4.2124 8.8726 121.2465 56.9012 29.3939 176.6360 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 5 E 8.44 4.31 0.00 1.97 2.07 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 2.20 2.36 0.00 6 L 7.75 4.36 0.00 1.75 1.66 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.09 4.32 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 8 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.80 4.47 0.00 1.64 1.44 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.08 1.18 7.81 10 W 8.69 5.39 0.00 3.45 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 9.40 5.55 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 4.37 4.31 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 1.09 0.00 0.00 13 I 8.91 4.29 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.97 0.00 0.00 14 V 7.46 5.03 2.22 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 0.85 0.00 0.00 0.95 0.00 0.00 15 I 8.72 5.07 1.77 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.89 0.00 0.00 16 A 9.56 5.60 1.18 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 0.00 0.00 0.00 17 A 8.35 4.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.81 4.36 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.75 4.70 0.00 2.79 2.80 0.00 0.00 6.78 6.74 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 20 L 8.34 3.92 0.00 1.91 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.20 3.98 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 22 K 8.16 3.75 0.00 1.92 1.76 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 23 I 7.31 4.25 1.75 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 1.32 0.59 0.78 0.00 0.00 24 E 7.52 4.20 0.00 1.90 1.91 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 2.51 2.41 0.00 25 E 8.60 4.05 0.00 1.98 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 2.41 2.38 0.00 26 G 9.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.17 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.40 0.00 2.12 2.16 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 29 L 7.63 3.81 0.00 1.48 1.17 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 30 R 6.87 3.90 0.00 1.77 1.76 0.00 3.45 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.43 0.00 31 F 7.30 4.71 0.00 2.94 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.52 4.75 0.00 3.18 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 33 F 9.80 4.69 0.00 2.89 3.18 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 0.00 34 R 9.06 4.31 0.00 1.81 1.92 0.00 3.56 0.00 0.00 3.33 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 35 H 7.76 5.17 0.00 3.21 3.06 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.82 5.09 2.25 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.93 0.00 0.00 37 D 9.31 5.33 0.00 2.43 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 0.00 0.00 0.00 0.00 38 C 9.87 5.27 0.00 2.81 2.96 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 0.00 0.00 0.00 39 Y 8.91 4.71 0.00 3.07 2.85 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 0.00 0.00 0.00 40 K 9.32 3.83 0.00 1.97 1.89 0.00 1.97 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.45 7.81 41 N 8.27 4.14 0.00 2.90 2.93 0.00 0.00 7.31 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.39 4.48 0.00 3.10 3.22 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 0.00 0.00 0.00 0.00 43 S 8.08 4.22 0.00 4.11 4.14 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 44 E 7.77 5.69 0.00 2.17 2.07 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 2.37 2.32 0.00 *46 E 8.53 4.56 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 47 I 8.75 4.77 1.48 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.37 0.00 0.00 0.00 48 T 8.52 4.86 4.14 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 0.97 0.00 0.00 49 F 8.02 5.29 0.00 3.23 2.69 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 50 Y 9.63 5.29 0.00 3.11 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 51 V 9.02 5.08 2.43 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 1.15 0.00 0.00 1.43 0.00 0.00 52 I 8.80 5.02 2.03 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.87 0.96 0.00 0.00 53 T 8.61 4.52 4.32 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 1.25 0.00 0.00 54 N 9.05 4.52 0.00 2.87 3.10 0.00 0.00 7.22 7.79 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 55 N 8.26 4.41 0.00 2.94 2.95 0.00 0.00 6.71 7.69 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 56 Q 7.70 4.73 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 57 C 8.80 5.16 0.00 2.89 3.01 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 0.00 0.00 0.00 58 S 9.23 4.82 0.00 3.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.65 4.14 0.00 1.18 1.38 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.91 0.51 7.81 60 T 8.25 4.42 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 0.94 0.00 0.00 61 T 8.20 4.64 4.09 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 0.00 0.00 0.00 1.13 0.00 0.00 62 V 8.51 4.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.86 0.00 0.00 63 I 8.44 4.81 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 1.04 0.00 0.00 64 G 8.94 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.78 5.45 0.00 3.06 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 66 L 8.92 3.72 0.00 1.07 1.55 0.23 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.91 4.45 0.00 1.76 1.62 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.19 1.45 7.81 68 G 8.83 3.65 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 0.00 0.00 0.00 69 N 7.96 4.44 0.00 2.79 2.91 0.00 0.00 6.23 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 70 G 8.37 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.81 4.53 4.13 0.00 0.00 0.00 0.00 0.00 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 72 Y 8.63 4.70 0.00 1.43 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 0.00 0.00 0.00 73 E 7.85 5.07 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 74 T 8.74 4.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 Q 8.72 4.96 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 76 F 9.43 4.42 0.00 2.99 3.01 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 0.00 0.00 0.00 77 E 9.61 3.49 0.00 1.91 1.79 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 1.47 1.82 0.00 78 G 7.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.76 5.41 0.00 2.75 2.75 0.00 0.00 6.63 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.08 5.48 0.00 2.89 2.81 0.00 0.00 6.74 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.87 5.01 1.90 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 1.25 0.89 0.88 0.00 0.00 82 F 8.77 5.61 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.01 5.03 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 84 P 0.00 4.31 0.00 1.84 1.54 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 85 L 9.03 4.37 0.00 1.14 0.99 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.53 4.97 0.00 3.11 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.62 4.93 1.68 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.79 0.00 0.00 88 T 8.79 4.64 4.28 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 0.00 0.00 0.00 1.16 0.00 0.00 89 S 8.82 4.19 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 90 D 7.95 4.91 0.00 3.02 2.81 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 91 K 8.44 5.16 0.00 1.75 1.47 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.66 7.81 92 I 8.49 4.58 1.15 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 -0.18 0.00 0.00 93 F 9.46 4.89 0.00 3.03 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 94 F 9.44 5.25 0.00 2.89 2.86 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 0.00 0.00 0.00 0.00 95 T 8.94 4.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 96 N 8.69 5.59 0.00 2.75 2.68 0.00 0.00 6.80 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 9.31 4.61 0.00 1.87 1.69 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.48 7.81 98 N 9.12 5.96 0.00 3.00 2.75 0.00 0.00 6.76 8.22 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 *100 D 8.34 4.73 0.00 2.95 2.86 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 0.00 0.00 0.00 0.00 101 R 8.57 3.82 0.00 1.76 1.99 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 102 A 7.92 4.04 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 0.00 103 G 8.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.01 0.00 2.02 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 105 E 8.67 4.76 0.00 1.95 1.84 0.00 0.00 0.00 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 2.39 0.00 106 T 8.98 4.91 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 107 N 9.51 5.16 0.00 2.78 2.74 0.00 0.00 6.55 7.91 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 *109 I 7.98 4.43 1.94 0.00 0.00 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 1.26 0.69 1.09 0.00 0.00 110 V 8.80 4.63 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 0.49 0.00 0.00 0.95 0.00 0.00 111 V 8.63 4.44 1.86 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 0.33 0.00 0.00 0.61 0.00 0.00 112 A 8.66 4.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.36 4.80 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 0.00 0.00 0.00 114 K 9.10 4.38 0.00 1.66 1.84 0.00 1.42 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.25 1.22 7.81 115 G 8.41 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.64 4.49 0.00 2.76 2.79 0.00 0.00 6.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.18 4.26 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.33 0.00 1.69 1.68 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.94 4.28 4.28 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 0.00 0.00 0.00 1.31 0.00 0.00 120 P 0.00 4.26 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 121 E 8.14 4.00 0.00 2.03 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 2.38 2.40 0.00 122 E 8.27 4.14 0.00 2.41 2.30 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 0.00 2.68 2.52 0.00 123 N 8.67 4.45 0.00 3.01 2.89 0.00 0.00 6.65 7.30 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 0.00 124 E 8.23 3.86 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 125 I 7.75 3.44 1.72 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 -0.12 0.00 0.00 126 L 8.08 4.24 0.00 2.21 1.96 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.97 3.51 2.14 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 0.87 0.00 0.00 0.94 0.00 0.00 128 Q 8.13 3.91 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 129 F 8.09 4.63 0.00 3.26 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 0.00 130 A 8.51 4.06 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.41 4.25 0.00 3.34 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.35 4.07 0.00 2.03 2.39 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 2.41 2.42 0.00 133 K 8.12 4.30 0.00 1.98 1.87 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.54 7.81 134 K 7.89 3.83 0.00 1.92 1.91 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 I 8.02 4.46 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.93 0.00 0.00 136 P 0.00 4.33 0.00 2.19 2.00 0.00 3.62 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 137 V 8.53 3.59 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 138 E 8.12 4.16 0.00 2.12 2.07 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 2.28 2.33 0.00 139 N 8.34 4.70 0.00 2.99 2.94 0.00 0.00 6.84 7.95 0.00 0.00 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 I 7.33 4.35 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.93 0.00 0.00 141 L 8.97 4.70 0.00 1.50 1.54 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.85 5.21 0.00 2.61 2.79 0.00 0.00 6.90 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.57 4.42 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.83 0.92 0.00 0.00 144 L 8.09 4.04 0.00 1.93 1.73 0.88 0.93 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 0.00 145 A 8.09 3.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.81 4.32 4.32 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 1.28 0.00 0.00 147 D 7.93 3.63 0.00 2.74 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 0.00 148 T 7.59 4.28 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 149 C 7.36 4.30 0.00 2.50 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.32 0.00 2.07 1.98 0.00 3.01 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 151 E 8.87 4.21 0.00 1.96 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 2.46 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.