NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4802 8.3349 115.5389 58.2645 63.8496 172.9001 1 M 4.2855 8.7051 127.8770 54.5220 33.3162 173.6972 2 K 5.1652 10.7800 125.9850 54.6992 35.2629 174.8825 3 L 5.3523 9.3107 125.2726 52.7759 45.0920 175.2307 4 L 4.7355 8.4020 125.0564 53.0602 45.0704 174.8219 5 F 5.1662 9.0084 124.9517 55.1408 41.8030 175.9840 6 V 5.1010 7.9992 121.4802 61.3963 30.5110 176.2020 *13 R 4.3445 8.0268 123.1186 56.4788 32.8678 178.8125 14 S 4.2473 7.7464 112.4122 60.8419 63.3950 174.5636 15 P 4.3296 0.0000 0.0000 64.6294 30.9635 178.3811 16 A 3.8541 7.8754 119.0918 54.8733 18.3384 179.1256 17 A 3.4988 7.7835 119.2948 55.1545 18.3723 179.3127 18 E 3.3544 7.8039 117.2178 59.3060 29.6675 178.7050 19 A 3.9417 7.7921 120.5897 55.3046 18.3240 179.8699 20 V 2.9785 7.5885 116.7169 66.0793 31.4581 177.9355 21 M 3.7951 7.8601 118.3423 58.3415 32.0109 178.1661 22 K 3.9084 8.0475 118.6984 59.4819 32.2503 179.1248 23 K 3.9447 7.8917 119.3133 59.5102 32.2184 178.9068 24 V 3.6227 8.0290 118.6442 66.1900 31.4086 178.1037 25 I 3.7030 8.0268 119.7947 64.3157 36.8584 178.2009 26 Q 3.9919 8.0465 120.4691 58.8040 28.6655 177.4668 27 N 4.2130 8.2674 117.3784 56.7135 38.7264 176.1359 28 H 4.5477 7.8509 113.2000 54.9159 29.4653 174.9101 29 H 4.0706 7.8219 117.0799 57.5506 26.8695 175.0911 30 L 4.8667 8.5036 114.4848 54.9872 42.3320 179.5811 31 T 4.2134 8.0491 118.9825 66.5743 68.6930 176.5163 32 E 4.0832 8.5250 122.5689 59.5950 29.7341 178.6704 33 K 4.1672 8.5570 119.3392 55.2228 32.5014 178.2236 34 Y 5.2898 7.5037 114.3202 56.8010 41.2101 174.7295 35 I 4.6516 8.9198 124.5187 59.4465 40.7366 174.0055 36 C 5.5980 8.8128 125.7045 58.5990 31.0074 172.2441 37 D 5.0072 9.1484 119.9342 53.2991 44.9483 173.8047 38 S 5.7083 8.6124 115.0165 55.8846 66.6269 172.6620 39 A 4.6351 8.1552 119.9043 51.1223 22.2243 175.8313 40 G 3.9453 9.1066 107.8994 45.5115 0.0000 173.3072 *51 D 4.5283 8.4555 120.3385 53.4797 42.0327 176.4918 52 S 4.1000 8.6908 122.3157 61.3652 62.7214 176.5977 53 R 3.6486 7.8968 121.7771 59.3462 29.9349 177.4626 54 M 3.9970 8.4335 118.3855 59.1569 32.1114 178.3739 55 R 3.9018 8.1645 117.8825 59.0182 30.1485 179.0723 56 K 3.8675 7.6141 119.4436 59.4110 32.1650 178.9224 57 V 3.5999 7.7905 118.7011 65.9932 31.4339 177.8040 58 G 4.0558 8.3897 108.0282 48.7001 0.0000 176.1967 59 K 4.3517 8.4216 127.9557 58.9069 31.5561 181.0871 60 S 4.6446 8.1130 114.4730 60.4770 62.6915 175.8390 61 R 4.4957 7.5069 119.5610 55.4091 30.2470 176.3969 62 G 3.6391 8.3900 106.8022 45.7861 0.0000 173.0434 63 Y 4.6606 8.2949 119.3977 56.4672 40.2061 176.0126 64 Q 4.5634 8.5931 122.7285 53.4039 28.0352 173.6946 65 V 4.1467 8.0610 124.7852 61.1870 30.7138 175.2390 66 D 4.8083 8.2415 125.7876 53.0173 40.1553 175.5945 67 S 4.4238 8.2291 116.6379 58.8880 64.2566 173.3663 68 I 4.4304 7.9963 120.4125 58.0069 36.4763 174.8713 69 S 4.4214 8.6997 121.8177 58.1359 61.6616 173.7614 70 R 4.6260 8.3920 123.4194 54.3117 31.9434 173.3604 71 P 5.1225 0.0000 0.0000 60.7909 33.5644 175.5744 72 V 3.7034 8.3309 121.4081 63.2670 32.0968 175.6781 73 V 4.6009 8.3535 119.7278 58.7914 35.0618 176.7665 74 S 4.5167 8.7483 116.3296 62.0285 62.4822 176.8034 75 S 4.2180 8.1402 117.0482 61.1258 62.7557 176.0010 76 D 4.4744 8.0463 122.8390 57.4029 40.2420 178.6593 77 F 4.1294 7.7073 117.4606 59.8699 38.8677 177.2615 78 K 3.2420 7.5183 118.1909 58.9911 32.3681 178.0529 79 N 4.2937 8.1488 115.3597 54.0936 38.9224 175.4785 80 F 4.5255 7.1340 117.9414 56.2548 40.6266 175.5003 81 D 4.4400 9.0570 123.9136 56.6764 41.5524 176.5333 82 Y 5.0267 7.7732 113.5742 56.2689 42.9883 174.5863 83 I 4.7969 8.6650 121.7656 59.5821 41.6514 174.2727 84 F 5.3873 8.9351 125.3270 55.6430 41.8546 174.2982 85 A 4.8284 9.3393 126.5680 51.5153 20.1020 177.8978 86 M 4.4429 8.5710 119.7983 57.3030 33.8484 175.8174 87 D 5.2047 8.1541 116.6827 50.7445 43.2557 175.8518 88 N 4.4572 9.5600 116.2977 56.4519 38.2840 177.3262 89 D 4.4931 8.2451 119.1108 57.4063 41.4240 177.6823 90 N 4.3580 9.0536 117.5038 56.5313 38.6598 176.5738 91 Y 4.0492 7.9491 120.4774 61.1913 38.8252 177.9963 92 Y 3.9117 7.8639 117.3944 60.6228 37.7997 177.7842 93 E 3.9545 8.3296 120.5677 59.2578 29.8046 178.9082 94 L 4.1368 8.3756 119.4224 57.8952 41.4884 179.5401 95 L 3.8309 7.3955 117.6327 57.5005 41.5314 178.5356 96 D 4.4349 8.0278 117.5092 57.5192 41.2641 178.2730 97 R 4.1569 7.4215 115.9044 56.4730 30.6067 176.3582 98 C 2.9771 6.8492 119.8388 57.3576 32.3158 171.4100 99 P 4.2257 0.0000 0.0000 62.8363 31.5852 176.7559 100 E 3.8541 8.7669 121.9409 59.5004 29.3151 179.3176 101 Q 3.8675 7.7003 115.7510 58.3861 28.9328 176.7885 102 Y 4.8132 7.3888 117.0083 57.9846 38.3601 177.3739 103 K 3.9513 7.7761 120.4194 59.1749 31.9078 178.0967 104 Q 4.2419 7.9182 115.5787 56.7254 29.3137 177.3306 105 K 4.5087 8.4756 120.3987 57.2669 32.0303 176.0019 106 I 4.9117 6.9120 120.7289 60.2180 38.1014 175.4126 107 F 4.9513 9.3912 125.2002 55.5181 43.8901 173.9655 108 K 4.6386 8.4298 120.3611 56.1039 33.0526 177.4285 109 M 4.2449 9.5589 125.6325 59.2729 32.2830 178.9561 110 V 3.8298 7.8421 110.8673 63.5603 31.5963 177.4595 111 D 4.4419 7.8129 117.5505 55.8367 40.6897 177.2251 112 F 4.4158 7.9213 117.1853 56.7131 39.8850 175.8640 113 C 4.5501 7.6100 117.8404 60.1151 28.6289 173.0279 114 T 4.4000 8.8900 113.6033 63.2033 70.1143 175.1563 115 T 3.8494 7.8682 111.4833 61.9818 68.7589 174.6473 116 I 3.4284 6.6807 123.0110 61.9632 38.1346 177.1732 117 K 4.3418 8.4492 127.5688 53.6217 30.5189 172.0217 118 T 4.7441 7.8606 118.0198 60.3658 70.2732 173.4856 119 T 4.5522 8.2973 114.5728 61.6739 70.5763 173.6748 120 E 4.7744 7.5854 119.5163 54.9137 33.7693 174.8870 121 V 3.8949 8.3874 123.8772 62.1132 31.9460 174.2685 122 P 4.5079 0.0000 0.0000 62.3141 32.6032 175.6511 123 D 4.3201 8.5708 121.7925 53.4102 41.6778 175.2328 124 P 3.5574 0.0000 0.0000 63.7968 30.8563 175.2580 125 Y 4.5466 7.3242 117.0740 56.4780 40.4822 175.4598 *128 G 4.0523 8.7882 117.4497 46.1849 0.0000 175.0161 129 E 4.3391 9.3024 125.3865 57.0497 30.8415 179.8725 130 K 4.3423 8.2320 117.8510 59.9522 32.2672 178.6913 131 G 3.4624 7.6956 106.0929 47.6780 0.0000 175.6764 132 F 4.0078 7.8262 119.0458 60.6473 38.9362 177.4084 133 H 4.2755 8.4014 117.7917 59.6788 28.4945 178.5622 134 R 4.1017 8.2771 122.4962 61.1593 29.0486 181.0296 135 V 3.6776 7.5792 117.7848 66.2349 31.5847 178.2986 136 I 3.5688 7.6305 119.4211 64.2109 36.8885 178.0252 137 D 4.3509 8.6031 120.1383 57.6115 40.7457 178.9221 138 I 3.6673 7.8729 120.1121 64.5295 37.0396 178.5790 139 L 3.8903 8.1422 119.9819 57.5761 41.3645 179.2431 140 E 3.8554 8.4298 119.0358 59.4737 29.3490 178.7216 141 D 4.2423 7.9689 117.4482 57.5205 41.2498 178.2795 142 A 4.0352 8.0627 120.9639 55.4601 18.4301 179.4595 143 C 3.8966 8.3038 115.6437 62.4874 28.1631 175.8749 144 E 3.8295 8.0344 121.0411 59.4007 29.2005 178.4738 145 N 4.3007 7.8985 116.7414 56.4156 38.9982 176.4258 146 L 3.4176 8.0972 122.2079 58.0028 42.0755 178.7861 147 I 3.2899 7.5128 118.3808 63.8956 37.6022 177.5966 148 I 3.6276 7.1176 119.0095 64.5636 37.3960 178.1740 149 K 4.1369 8.2589 119.2437 59.4867 31.7896 179.3925 150 L 3.9819 8.2063 119.6051 57.9747 41.2945 179.5381 151 E 4.2268 8.1080 117.4339 59.2777 29.4225 178.9354 152 E 4.2129 7.9374 118.0869 59.5629 29.9810 177.6584 153 G 3.7334 7.5092 106.8541 45.2025 0.0000 173.3213 154 K 4.2719 8.3245 124.0318 54.7267 32.3618 172.9048 155 L 4.4066 8.5325 122.3365 54.2620 42.2150 177.5265 156 I 4.4107 8.3134 123.1072 61.6709 38.1107 175.1031 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 0 S 8.33 4.48 0.00 3.85 3.78 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 1 M 8.71 4.29 0.00 2.13 1.50 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 2 K 10.78 5.17 0.00 1.58 1.68 0.00 1.42 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.24 1.31 7.81 3 L 9.31 5.35 0.00 1.68 1.57 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.40 4.74 0.00 0.27 0.83 0.46 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 5 F 9.01 5.17 0.00 3.00 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 6 V 8.00 5.10 2.25 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 1.33 0.00 0.00 0.84 0.00 0.00 *13 R 8.03 4.34 0.00 1.94 1.94 0.00 3.16 0.00 0.00 3.49 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 14 S 7.75 4.25 0.00 4.14 4.16 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 15 P 0.00 4.33 0.00 2.18 2.14 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 16 A 7.88 3.85 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 17 A 7.78 3.50 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 3.35 0.00 2.05 2.03 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 2.30 2.44 0.00 19 A 7.79 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 2.98 1.63 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 0.77 0.00 0.00 -0.05 0.00 0.00 21 M 7.86 3.80 0.00 1.84 1.52 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 22 K 8.05 3.91 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.69 7.81 23 K 7.89 3.94 0.00 2.03 2.20 0.00 1.52 0.00 0.00 1.55 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.54 7.81 24 V 8.03 3.62 2.20 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 0.89 0.00 0.00 0.91 0.00 0.00 25 I 8.03 3.70 2.11 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 1.20 0.54 1.02 0.00 0.00 26 Q 8.05 3.99 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 27 N 8.27 4.21 0.00 2.86 2.79 0.00 0.00 7.07 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.85 4.55 0.00 3.10 3.36 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.82 4.07 0.00 3.27 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.50 4.87 0.00 1.89 1.95 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.05 4.21 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 E 8.52 4.08 0.00 1.98 2.03 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 2.33 2.34 0.00 33 K 8.56 4.17 0.00 1.63 1.80 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.27 7.81 34 Y 7.50 5.29 0.00 2.90 2.92 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 0.00 0.00 0.00 35 I 8.92 4.65 1.93 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 1.34 1.80 0.97 0.00 0.00 36 C 8.81 5.60 0.00 3.00 3.08 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 37 D 9.15 5.01 0.00 3.01 2.31 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 38 S 8.61 5.71 0.00 3.89 3.86 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 39 A 8.16 4.64 1.12 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 0.00 0.00 40 G 9.11 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 *51 D 8.46 4.53 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.69 4.10 0.00 4.06 4.11 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 53 R 7.90 3.65 0.00 1.68 1.57 0.00 2.92 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 54 M 8.43 4.00 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.72 0.00 55 R 8.16 3.90 0.00 2.01 1.96 0.00 3.18 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 56 K 7.61 3.87 0.00 1.81 1.84 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 57 V 7.79 3.60 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 0.73 0.00 0.00 0.75 0.00 0.00 58 G 8.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.35 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.18 7.81 60 S 8.11 4.64 0.00 4.01 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.51 4.50 0.00 1.86 1.99 0.00 3.27 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 62 G 8.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.29 4.66 0.00 3.05 2.77 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 64 Q 8.59 4.56 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.07 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 65 V 8.06 4.15 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 1.00 0.00 0.00 0.95 0.00 0.00 66 D 8.24 4.81 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 67 S 8.23 4.42 0.00 4.04 4.17 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 68 I 8.00 4.43 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 1.30 0.77 0.91 0.00 0.00 69 S 8.70 4.42 0.00 3.89 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 70 R 8.39 4.63 0.00 1.93 2.05 0.00 3.02 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 71 P 0.00 5.12 0.00 2.10 2.08 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 72 V 8.33 3.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.84 0.00 0.00 73 V 8.35 4.60 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 0.74 0.00 0.00 0.94 0.00 0.00 74 S 8.75 4.52 0.00 4.19 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 0.00 75 S 8.14 4.22 0.00 4.06 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 0.00 76 D 8.05 4.47 0.00 2.53 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 77 F 7.71 4.13 0.00 3.17 3.08 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 78 K 7.52 3.24 0.00 1.58 1.85 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.50 7.81 79 N 8.15 4.29 0.00 2.42 2.46 0.00 0.00 7.06 7.70 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 80 F 7.13 4.53 0.00 3.11 2.90 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 81 D 9.06 4.44 0.00 2.60 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.77 5.03 0.00 2.80 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 0.00 0.00 0.00 83 I 8.66 4.80 1.82 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 1.02 0.75 0.77 0.00 0.00 84 F 8.94 5.39 0.00 2.84 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 9.34 4.83 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 86 M 8.57 4.44 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 87 D 8.15 5.20 0.00 3.10 2.77 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 88 N 9.56 4.46 0.00 3.01 3.19 0.00 0.00 7.09 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 89 D 8.25 4.49 0.00 2.87 2.74 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 90 N 9.05 4.36 0.00 3.03 2.94 0.00 0.00 6.67 7.19 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 91 Y 7.95 4.05 0.00 3.08 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 92 Y 7.86 3.91 0.00 3.12 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 93 E 8.33 3.95 0.00 2.37 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 2.35 2.44 0.00 94 L 8.38 4.14 0.00 1.82 1.85 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.40 3.83 0.00 1.64 1.57 0.26 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.03 4.43 0.00 2.91 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 97 R 7.42 4.16 0.00 1.90 1.97 0.00 3.34 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 98 C 6.85 2.98 0.00 2.48 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 99 P 0.00 4.23 0.00 2.24 1.95 0.00 3.25 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.14 0.00 100 E 8.77 3.85 0.00 1.99 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 2.31 2.35 0.00 101 Q 7.70 3.87 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 102 Y 7.39 4.81 0.00 3.20 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 0.00 103 K 7.78 3.95 0.00 1.75 1.81 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.55 7.81 104 Q 7.92 4.24 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 105 K 8.48 4.51 0.00 1.95 1.96 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.74 7.81 106 I 6.91 4.91 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.95 0.00 0.00 107 F 9.39 4.95 0.00 2.88 3.28 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 0.00 108 K 8.43 4.64 0.00 1.70 1.63 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.35 7.81 109 M 9.56 4.24 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.68 0.00 110 V 7.84 3.83 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 0.81 0.00 0.00 0.92 0.00 0.00 111 D 7.81 4.44 0.00 2.71 2.38 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 0.00 112 F 7.92 4.42 0.00 3.11 3.14 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 0.00 113 C 7.61 4.55 0.00 3.07 3.09 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 0.00 114 T 8.89 4.40 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 115 T 7.87 3.85 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 116 I 6.68 3.43 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.90 0.00 0.00 117 K 8.45 4.34 0.00 1.77 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 0.98 7.81 118 T 7.86 4.74 4.23 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 1.26 0.00 0.00 119 T 8.30 4.55 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 120 E 7.59 4.77 0.00 1.84 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 2.24 2.32 0.00 121 V 8.39 3.89 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 0.70 0.00 0.00 0.98 0.00 0.00 122 P 0.00 4.51 0.00 2.03 1.99 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 123 D 8.57 4.32 0.00 2.79 2.61 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 0.00 124 P 0.00 3.56 0.00 0.49 0.84 0.00 3.49 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.00 125 Y 7.32 4.55 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 G 8.79 4.05 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 0.00 0.00 0.00 129 E 9.30 4.34 0.00 1.91 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 2.28 1.86 0.00 130 K 8.23 4.34 0.00 1.90 1.87 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.58 7.81 131 G 7.70 3.46 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 0.00 132 F 7.83 4.01 0.00 3.16 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 0.00 133 H 8.40 4.28 0.00 3.37 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.28 4.10 0.00 1.81 1.94 0.00 3.27 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 135 V 7.58 3.68 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 0.97 0.00 0.00 0.83 0.00 0.00 136 I 7.63 3.57 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.88 0.00 0.00 137 D 8.60 4.35 0.00 2.79 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 0.00 138 I 7.87 3.67 2.02 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 1.50 0.82 0.88 0.00 0.00 139 L 8.14 3.89 0.00 1.59 1.46 0.76 0.92 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 0.00 140 E 8.43 3.86 0.00 2.11 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 2.40 2.36 0.00 141 D 7.97 4.24 0.00 2.80 2.82 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 0.00 142 A 8.06 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.30 3.90 0.00 2.85 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 0.00 144 E 8.03 3.83 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 145 N 7.90 4.30 0.00 2.93 2.97 0.00 0.00 6.93 8.01 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 0.00 146 L 8.10 3.42 0.00 1.10 1.44 -0.35 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.51 3.29 1.57 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.70 0.00 0.00 148 I 7.12 3.63 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.91 0.00 0.00 149 K 8.26 4.14 0.00 1.87 1.93 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.76 1.85 7.81 150 L 8.21 3.98 0.00 1.56 1.81 0.58 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.11 4.23 0.00 2.11 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 2.46 2.50 0.00 152 E 7.94 4.21 0.00 2.14 2.04 0.00 0.00 0.00 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 2.48 0.00 153 G 7.51 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.32 4.27 0.00 1.79 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.04 7.81 155 L 8.53 4.41 0.00 1.18 1.19 -0.32 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.31 4.41 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.