NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Y 4.6588 8.0027 118.3638 57.3739 39.5059 175.2989 6 K 3.6402 9.2917 122.9613 59.4518 32.2700 177.0555 7 A 4.0783 8.3660 122.3963 55.2947 18.8786 178.6359 8 A 4.1457 8.2201 118.7636 55.5687 18.0925 179.6388 9 V 3.6538 7.6184 116.6034 66.1729 31.2366 177.2068 10 E 4.3764 8.3501 115.6115 57.2048 29.4132 177.9119 11 Q 4.2411 8.2209 119.1625 56.4406 29.5543 176.3790 12 L 4.2550 7.0781 120.1494 54.6347 42.2553 177.6901 13 T 4.2430 9.1887 113.9832 61.2315 71.1327 175.5052 14 E 4.0077 8.5810 120.9612 59.1291 29.6045 178.1970 15 E 4.0105 8.1006 119.2679 59.0582 29.7784 178.4849 16 Q 4.1969 8.0210 119.5609 58.3282 28.6667 178.8539 17 K 4.2828 7.9292 119.4136 59.5786 32.0132 178.9276 18 N 4.3798 8.1591 116.8476 56.7108 38.7524 176.8331 19 E 3.9831 8.2313 120.0362 59.5620 29.4745 179.4187 20 F 4.8511 8.6564 118.2410 60.4764 38.8966 177.6810 21 K 3.7678 8.8102 119.7005 59.3871 31.7438 178.7412 22 A 4.0748 8.2165 120.2275 55.0328 18.4385 179.2423 23 A 4.3103 8.2111 119.1613 55.3367 18.7116 179.4958 24 F 3.4566 8.6859 119.5989 61.5019 39.5117 176.9218 25 D 4.3375 8.6523 118.7935 57.5789 40.3131 179.0589 26 I 3.7994 7.6383 120.3741 64.3822 36.8644 178.5209 27 F 4.0464 7.9911 117.4372 59.9003 38.9075 177.0616 28 V 4.0622 6.8419 109.4445 59.7441 31.4018 175.3801 29 L 4.0689 7.0504 121.8616 56.5281 42.0966 176.8777 30 G 3.9267 8.7064 113.1547 46.3939 0.0000 172.8284 31 A 4.9834 7.6452 120.5259 49.3537 20.1345 177.8630 32 E 4.0156 8.5157 121.3566 57.4519 30.3123 176.5519 33 D 4.4175 9.5669 123.5056 54.5245 38.7423 173.5339 34 G 4.0812 8.2217 104.5063 46.7477 0.0000 173.5189 35 S 5.0024 7.5821 110.0417 56.1268 67.0810 173.4723 36 I 4.2697 8.8585 122.2543 60.6337 38.3190 175.8668 37 S 4.9788 8.7796 123.0391 56.5468 65.8584 175.0364 38 T 3.9259 8.5645 109.2067 64.8162 68.1271 176.0896 39 K 3.9022 7.8178 122.5980 59.5966 32.3281 178.7253 40 E 3.9992 8.1090 118.3574 59.1975 29.4760 178.8371 41 L 4.2848 8.1660 120.6822 58.1660 42.0591 179.3583 42 G 3.6138 8.5454 106.3394 47.4328 0.0000 175.7267 43 K 3.9025 8.1093 121.4512 59.7965 32.5276 179.4194 44 V 3.3737 7.7752 119.7125 65.6253 31.4295 177.5667 45 M 4.0135 8.0754 118.4565 58.8405 31.8631 179.1214 46 R 4.2220 8.1775 119.4170 58.9224 29.9799 178.8312 47 M 4.0221 7.9156 117.2256 58.0474 32.2153 177.2330 48 L 4.2168 7.5182 117.0057 54.2454 41.9349 177.5428 49 G 3.8103 7.9663 107.3357 45.4606 0.0000 173.8667 50 Q 4.4447 7.7802 119.4919 54.9993 30.6449 175.3454 51 N 5.2284 8.0175 114.2869 51.3616 39.3703 172.8906 52 P 4.6445 0.0000 0.0000 62.7415 32.8705 177.5685 53 T 4.4547 8.7229 111.1764 59.9801 71.7366 174.2616 54 P 4.2545 0.0000 0.0000 65.6590 31.2810 178.8101 55 E 3.9617 8.1363 116.8922 59.4410 29.5809 179.0658 56 E 3.9657 8.1031 118.3969 59.5259 29.5822 179.4436 57 L 4.0302 7.9081 118.9247 57.9523 41.6560 179.4787 58 Q 4.0048 8.4747 119.8092 58.9980 28.8909 177.8309 59 E 3.9395 8.3999 120.6531 59.4767 29.2899 178.7845 60 M 4.1076 7.9476 118.5075 58.2681 32.0160 178.8120 61 I 3.6593 7.7635 119.9831 64.6374 37.1177 178.3024 62 D 4.3967 8.0648 118.3814 57.2535 40.6580 178.1810 63 E 4.0667 7.9552 118.7971 58.2870 29.6885 177.5926 64 V 4.1796 7.0536 108.8037 60.8382 33.5780 175.7747 65 D 4.5786 7.9391 120.9455 53.0377 39.5458 175.9737 66 E 4.0470 8.6720 127.1955 58.1221 30.0424 177.1310 67 D 4.7172 8.1541 115.9451 52.2333 39.5034 176.3097 68 G 4.0362 7.6768 105.1945 46.9858 0.0000 175.4720 69 S 4.1729 8.2330 114.8759 58.9204 63.3440 175.3718 70 G 4.0048 10.4900 110.1909 45.4098 0.0000 172.9130 71 T 4.8945 7.5096 107.9608 59.9290 72.6325 173.4401 72 V 4.6789 8.8550 123.4555 61.5334 33.6044 175.2366 73 D 5.1819 9.8263 128.9209 52.0882 41.8517 177.3266 74 F 3.3893 8.4994 119.3137 61.2184 39.0683 176.4178 75 D 4.1009 7.9972 117.9743 57.5095 40.7109 178.5989 76 E 3.9783 8.9291 119.2682 58.9414 29.3913 179.2661 77 F 4.0579 8.0678 121.0695 61.0721 39.4611 177.1501 78 L 3.4630 7.8546 118.9916 57.6133 41.3880 179.6062 79 V 3.3920 7.4418 118.0127 66.1053 31.4452 177.4080 80 M 3.7742 7.7540 117.7717 59.0414 31.9720 178.2056 81 M 3.6019 7.3731 118.3559 58.1362 31.9955 178.7895 82 V 3.4919 7.9176 118.6689 66.0818 31.4181 177.9187 83 R 3.8139 8.0175 117.7427 59.4673 29.9129 178.3202 84 S 4.2255 7.5817 113.0922 62.0190 63.1647 175.7308 85 M 4.2048 7.9635 122.0259 57.4545 31.7018 179.0191 86 K 3.9196 7.9512 116.1308 57.1981 32.8811 178.0777 *92 K 4.3447 7.9607 122.0383 56.5764 33.9832 177.8352 93 S 4.1554 7.9552 112.2675 61.3535 62.2956 175.7108 94 E 4.0585 8.1630 120.9410 59.4112 29.2710 179.0660 95 E 4.0351 8.1385 118.0986 59.5709 29.6759 179.0807 96 E 4.1061 8.1807 118.2227 59.3186 29.4064 179.4637 97 L 4.2987 8.2586 119.2327 57.8569 41.7033 179.4662 98 S 4.2538 8.3292 112.9629 61.5036 62.3660 175.8180 99 D 4.4018 8.2816 121.5526 57.4203 40.5085 178.4372 100 L 4.1170 8.2802 120.7538 58.2882 42.0299 178.7646 101 F 3.6525 8.5939 120.4571 61.4304 39.1058 177.3997 102 R 3.9625 8.1001 116.1012 59.3740 29.8309 178.6393 103 M 4.1141 7.9335 118.1011 58.2408 31.9611 178.2392 104 F 4.2064 7.7500 117.0321 58.8994 40.9435 176.7305 105 D 4.6156 7.8380 120.2002 52.2777 37.8198 176.4427 106 K 3.8529 8.0016 122.0974 59.0374 32.6658 178.0725 107 N 4.5768 8.3590 112.2670 51.8694 37.6292 174.2952 108 A 3.9441 7.4993 120.5397 53.6307 16.7277 177.3513 109 D 4.6929 8.6992 115.8665 54.3920 39.6741 176.9418 110 G 3.9359 8.7672 107.1609 46.5201 0.0000 172.8310 111 Y 5.2715 8.5449 115.5174 56.1216 42.5810 175.2747 112 I 4.5784 8.8349 122.4196 59.7518 39.8135 175.3564 113 D 4.8091 9.1661 127.9993 51.9319 41.2427 177.4525 114 L 3.9577 8.5838 119.8305 58.2590 42.1605 178.0267 115 E 4.0856 8.1811 118.6405 59.4964 29.5739 178.5269 116 E 4.0607 9.0387 118.9056 59.4203 29.4636 179.3801 117 L 4.3355 8.0230 118.6068 57.3392 41.6959 178.9260 118 K 4.2621 8.0052 117.4569 57.7790 31.9474 178.5965 119 I 3.7333 7.6650 120.3128 64.1761 37.6617 176.8655 120 M 4.3559 8.0624 117.0378 56.5196 31.9179 177.1947 121 L 4.5503 7.9537 121.7823 54.4515 42.5383 176.7604 122 Q 4.0695 7.5362 118.4594 55.6621 28.5630 181.0944 123 A 3.7870 8.9830 126.2428 52.7067 16.2319 177.0914 *124 T 4.5164 7.4022 109.3195 61.4799 72.5248 177.0451 *127 T 4.3886 8.0296 108.6084 61.9740 70.5952 173.5136 128 I 4.5782 7.4762 123.0711 58.2581 40.3799 175.0480 129 T 4.6998 8.0501 116.5785 59.3118 72.7936 174.8684 130 E 3.9239 8.5671 120.6157 59.4903 29.5265 178.0694 131 D 4.3346 8.0576 117.6229 57.3560 41.2868 177.7500 132 D 4.3938 7.8405 119.6152 57.4294 40.7407 178.8511 133 I 3.7526 8.1612 120.6412 64.5576 37.1168 178.4527 134 E 3.9692 8.4170 119.3182 59.0335 29.2101 179.0637 135 E 3.9715 8.2423 119.8144 58.8596 29.6974 178.3152 136 L 4.0617 8.1678 120.6314 58.4482 42.0992 178.5274 137 M 3.9317 8.2581 118.2468 58.6669 31.9271 178.0551 138 K 3.8761 7.6119 117.9606 59.5300 32.3913 178.1609 139 D 4.5026 7.9696 118.4182 57.3349 40.8660 178.6682 140 G 3.0077 7.3216 104.7434 45.9252 0.0000 174.1988 141 D 4.5719 7.8269 120.6386 53.4850 39.9451 175.6465 142 K 4.0815 8.3653 125.0706 58.3340 32.6392 177.8371 143 N 4.6962 8.2614 113.6525 51.7693 37.7126 174.7299 144 N 4.2695 7.5453 112.9646 55.5818 36.3935 174.2364 145 D 4.7433 8.2289 111.9499 52.7736 40.3097 177.0846 146 G 3.9057 8.9638 106.6612 46.2479 0.0000 173.5600 147 R 4.9228 8.7051 117.1432 54.4372 35.0138 174.5690 148 I 4.8828 8.6420 121.4235 59.8444 39.7453 175.8229 149 D 5.3278 9.5798 128.0638 51.6696 41.4750 176.9493 150 Y 3.4981 8.3986 118.1817 60.7861 38.5191 177.5826 151 D 4.1326 8.0496 119.3701 57.2134 41.0136 178.4395 152 E 3.9618 9.2148 119.4856 59.2005 29.4998 178.8883 153 F 4.3571 8.5466 121.0356 61.5602 39.3721 177.1445 154 L 3.6978 7.9089 118.4916 57.7122 41.3013 179.1559 155 E 3.8544 8.1107 119.1519 59.0973 29.3217 178.5983 156 F 4.4127 8.4330 119.9030 61.9153 39.6144 176.8843 157 M 3.8967 8.0443 117.0347 57.7229 31.7021 178.2874 158 K 4.2002 8.0181 117.9021 56.3508 33.9339 177.4255 159 G 3.9306 8.0660 110.2911 46.7812 0.0000 174.5667 *160 V 3.9019 7.3001 117.8532 61.1160 32.3434 177.2415 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 Y 8.00 4.66 0.00 3.05 2.84 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 6 K 9.29 3.64 0.00 1.89 1.91 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.51 7.81 7 A 8.37 4.08 1.28 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 0.00 0.00 8 A 8.22 4.15 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 9 V 7.62 3.65 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 0.95 0.00 0.00 0.89 0.00 0.00 10 E 8.35 4.38 0.00 2.05 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 2.33 2.48 0.00 11 Q 8.22 4.24 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 12 L 7.08 4.25 0.00 1.74 1.67 1.06 1.48 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 13 T 9.19 4.24 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 1.26 0.00 0.00 14 E 8.58 4.01 0.00 2.07 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 2.41 2.39 0.00 15 E 8.10 4.01 0.00 2.04 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 2.38 2.34 0.00 16 Q 8.02 4.20 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 17 K 7.93 4.28 0.00 2.02 2.08 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.76 7.81 18 N 8.16 4.38 0.00 2.82 2.97 0.00 0.00 7.23 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.23 3.98 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 2.31 2.46 0.00 20 F 8.66 4.85 0.00 3.47 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.81 3.77 0.00 1.92 1.97 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.17 1.32 7.81 22 A 8.22 4.07 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 23 A 8.21 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.69 3.46 0.00 2.48 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 25 D 8.65 4.34 0.00 2.92 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 26 I 7.64 3.80 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.77 0.00 0.00 27 F 7.99 4.05 0.00 2.75 2.95 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 28 V 6.84 4.06 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 0.19 0.00 0.00 0.71 0.00 0.00 29 L 7.05 4.07 0.00 1.63 1.54 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.71 3.93 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 0.00 0.00 0.00 31 A 7.65 4.98 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 32 E 8.52 4.02 0.00 2.02 1.83 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 2.38 2.34 0.00 33 D 9.57 4.42 0.00 2.86 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 34 G 8.22 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 35 S 7.58 5.00 0.00 4.11 3.91 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 36 I 8.86 4.27 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.25 0.98 0.00 0.00 37 S 8.78 4.98 0.00 3.91 4.02 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 0.00 0.00 0.00 38 T 8.56 3.93 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 1.32 0.00 0.00 39 K 7.82 3.90 0.00 1.80 1.85 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 40 E 8.11 4.00 0.00 2.13 2.19 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 2.45 2.39 0.00 41 L 8.17 4.28 0.00 1.97 1.87 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.55 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 43 K 8.11 3.90 0.00 1.97 2.22 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.37 7.81 44 V 7.78 3.37 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 0.59 0.00 0.00 0.39 0.00 0.00 45 M 8.08 4.01 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.04 0.00 46 R 8.18 4.22 0.00 2.03 1.94 0.00 3.12 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 47 M 7.92 4.02 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 48 L 7.52 4.22 0.00 1.68 1.43 0.84 0.21 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 49 G 7.97 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 50 Q 7.78 4.44 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 51 N 8.02 5.23 0.00 2.63 2.69 0.00 0.00 6.89 8.02 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 52 P 0.00 4.64 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 T 8.72 4.45 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 54 P 0.00 4.25 0.00 2.18 2.14 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 55 E 8.14 3.96 0.00 2.06 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 2.40 2.47 0.00 56 E 8.10 3.97 0.00 2.17 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 2.34 2.36 0.00 57 L 7.91 4.03 0.00 1.86 1.75 1.00 0.83 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 58 Q 8.47 4.00 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 59 E 8.40 3.94 0.00 2.34 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 2.31 2.35 0.00 60 M 7.95 4.11 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 61 I 7.76 3.66 1.89 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 1.77 0.88 0.96 0.00 0.00 62 D 8.06 4.40 0.00 2.71 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 63 E 7.96 4.07 0.00 2.03 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 2.29 2.35 0.00 64 V 7.05 4.18 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 0.66 0.00 0.00 1.03 0.00 0.00 65 D 7.94 4.58 0.00 2.85 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 4.05 0.00 1.95 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 2.27 2.23 0.00 67 D 8.15 4.72 0.00 2.83 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 68 G 7.68 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 0.00 0.00 0.00 69 S 8.23 4.17 0.00 3.97 4.22 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 70 G 10.49 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 71 T 7.51 4.89 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 1.24 0.00 0.00 72 V 8.86 4.68 2.19 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 1.08 0.00 0.00 0.98 0.00 0.00 73 D 9.83 5.18 0.00 2.82 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 74 F 8.50 3.39 0.00 1.91 2.76 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 75 D 8.00 4.10 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 3.98 0.00 2.14 2.17 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 2.31 2.48 0.00 77 F 8.07 4.06 0.00 3.25 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 78 L 7.85 3.46 0.00 1.46 1.40 0.36 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.44 3.39 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 0.84 0.00 0.00 0.92 0.00 0.00 80 M 7.75 3.77 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 81 M 7.37 3.60 0.00 0.96 1.21 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.66 0.00 82 V 7.92 3.49 2.09 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 0.95 0.00 0.00 0.88 0.00 0.00 83 R 8.02 3.81 0.00 1.78 1.99 0.00 3.20 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 84 S 7.58 4.23 0.00 4.02 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 85 M 7.96 4.20 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 86 K 7.95 3.92 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 *92 K 7.96 4.34 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 93 S 7.96 4.16 0.00 3.91 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 94 E 8.16 4.06 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 2.42 2.38 0.00 95 E 8.14 4.04 0.00 2.19 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 2.43 2.43 0.00 96 E 8.18 4.11 0.00 2.24 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 0.00 2.37 2.57 0.00 97 L 8.26 4.30 0.00 2.19 2.02 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.33 4.25 0.00 4.04 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 99 D 8.28 4.40 0.00 3.02 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 0.00 100 L 8.28 4.12 0.00 2.13 2.27 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.59 3.65 0.00 2.90 3.10 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 0.00 102 R 8.10 3.96 0.00 2.00 1.98 0.00 3.22 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 103 M 7.93 4.11 0.00 1.80 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.55 0.00 104 F 7.75 4.21 0.00 2.87 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 0.00 105 D 7.84 4.62 0.00 1.96 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 0.00 0.00 0.00 0.00 106 K 8.00 3.85 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.49 7.81 107 N 8.36 4.58 0.00 2.84 2.92 0.00 0.00 6.11 7.26 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 0.00 108 A 7.50 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.69 0.00 2.94 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 0.00 110 G 8.77 3.94 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 0.00 0.00 0.00 111 Y 8.54 5.27 0.00 2.94 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 0.00 112 I 8.83 4.58 1.88 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.37 0.85 0.00 0.00 113 D 9.17 4.81 0.00 2.78 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 0.00 114 L 8.58 3.96 0.00 1.64 1.75 0.99 0.89 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 0.00 115 E 8.18 4.09 0.00 2.12 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 0.00 2.38 2.47 0.00 116 E 9.04 4.06 0.00 2.19 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 0.00 2.33 2.48 0.00 117 L 8.02 4.34 0.00 2.00 1.79 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.01 4.26 0.00 1.96 1.87 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.75 7.81 119 I 7.66 3.73 1.93 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 1.33 1.09 0.90 0.00 0.00 120 M 8.06 4.36 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.77 0.00 121 L 7.95 4.55 0.00 1.80 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.54 4.07 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 123 A 8.98 3.79 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 *124 T 7.40 4.52 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 *127 T 8.03 4.39 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 1.19 0.00 0.00 128 I 7.48 4.58 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.93 0.00 0.00 129 T 8.05 4.70 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 1.22 0.00 0.00 130 E 8.57 3.92 0.00 2.06 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 2.56 2.38 0.00 131 D 8.06 4.33 0.00 2.84 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 0.00 132 D 7.84 4.39 0.00 3.04 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 0.00 133 I 8.16 3.75 2.07 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 1.58 0.90 0.95 0.00 0.00 134 E 8.42 3.97 0.00 2.18 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 2.33 2.36 0.00 135 E 8.24 3.97 0.00 2.30 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 0.00 2.32 2.47 0.00 136 L 8.17 4.06 0.00 2.05 1.86 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 137 M 8.26 3.93 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 138 K 7.61 3.88 0.00 1.75 1.97 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.45 7.81 139 D 7.97 4.50 0.00 2.85 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 0.00 140 G 7.32 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 0.00 0.00 0.00 141 D 7.83 4.57 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 4.08 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.34 7.81 143 N 8.26 4.70 0.00 2.85 2.91 0.00 0.00 7.12 7.33 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 0.00 144 N 7.55 4.27 0.00 2.89 2.88 0.00 0.00 6.68 7.94 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 0.00 145 D 8.23 4.74 0.00 2.69 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 0.00 146 G 8.96 3.91 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 0.00 0.00 0.00 147 R 8.71 4.92 0.00 1.69 1.89 0.00 2.52 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 148 I 8.64 4.88 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 1.22 0.00 0.00 149 D 9.58 5.33 0.00 2.70 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 0.00 150 Y 8.40 3.50 0.00 2.30 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 0.00 151 D 8.05 4.13 0.00 2.84 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 0.00 152 E 9.21 3.96 0.00 2.20 2.19 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 2.34 2.64 0.00 153 F 8.55 4.36 0.00 3.43 3.24 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 0.00 154 L 7.91 3.70 0.00 1.58 1.49 0.47 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.11 3.85 0.00 2.30 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 2.29 2.29 0.00 156 F 8.43 4.41 0.00 2.94 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 0.00 157 M 8.04 3.90 0.00 1.71 1.74 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 158 K 8.02 4.20 0.00 1.70 1.81 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.52 7.81 159 G 8.07 3.93 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 0.00 0.00 0.00 *160 V 7.30 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.