NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3202 0.0000 0.0000 62.8469 33.5828 174.5877 2 H 4.7748 8.2532 121.0129 54.0370 32.8797 171.3709 3 F 5.6279 9.2370 124.5457 55.6693 43.1375 173.3700 4 L 4.4126 8.2969 123.9714 53.4491 44.0379 175.1884 5 I 4.5391 8.4407 128.2254 59.8934 38.6462 174.2323 6 L 5.0413 9.1770 130.9668 53.3864 44.0696 174.6729 7 N 5.3621 9.2145 124.5237 51.6743 41.6799 175.3621 8 G 4.3530 8.8370 111.8588 44.0613 0.0000 170.9134 9 P 4.6930 0.0000 0.0000 64.3467 31.5911 176.7562 10 N 4.4759 9.1684 116.8968 53.7802 37.8772 176.6781 11 V 3.5504 7.4193 117.8503 65.4567 31.6799 177.2616 12 N 4.4522 8.0122 115.4306 54.5674 37.0695 175.5387 13 R 4.1249 7.8858 117.9072 55.8321 30.9951 173.9433 14 L 3.5984 7.1637 122.4346 56.5096 41.1856 177.4880 15 G 4.5802 8.5802 120.9671 44.4721 0.0000 174.8644 16 S 3.6686 7.1357 116.1298 59.4101 65.0678 174.1275 17 R 4.5229 7.2423 116.0596 53.8617 32.2079 176.2442 18 E 3.7026 7.8213 114.5740 56.0956 28.1244 172.9441 19 P 5.0329 0.0000 0.0000 64.4143 31.5164 178.0852 20 E 3.9053 8.2276 117.1393 58.9389 29.3360 178.5355 21 V 3.7932 7.3513 115.9173 63.7172 32.3955 176.7118 22 F 4.9444 7.6219 114.3216 55.9787 40.4598 176.7322 23 G 4.0557 9.6522 106.5371 46.2087 0.0000 174.9515 24 R 4.3534 8.1308 116.1936 56.9484 30.4175 178.3212 25 Q 4.5131 7.8361 113.0702 56.6577 29.2155 175.3447 26 T 5.3119 7.7997 108.2206 58.4792 73.3295 174.2539 27 L 3.8996 8.2533 121.8486 58.4702 41.9554 178.9334 28 T 3.6991 7.7283 115.3745 66.4286 68.3650 176.1087 29 D 4.2805 8.9670 121.9508 57.4929 40.8897 178.8804 30 I 3.7632 7.6360 120.1320 64.3284 36.8512 178.0281 31 E 3.2838 7.8112 119.0578 59.2777 29.6914 178.5850 32 T 3.9449 7.8191 115.7380 66.9707 68.1210 176.2272 33 D 4.4230 8.1746 120.5615 57.4527 40.7069 178.9351 34 L 3.8554 8.3243 121.6541 57.9373 41.4587 179.8790 *35 F 4.4563 8.1318 120.1569 61.2937 37.8601 182.5411 36 Q 4.2507 7.7533 116.6708 59.2763 28.0512 178.3835 37 F 4.2242 8.3877 121.0182 61.4426 39.5000 176.8878 38 A 4.0719 8.1029 118.8883 54.9175 17.8895 179.2141 39 E 3.9851 8.2350 117.8728 59.1240 29.4385 178.7796 40 A 4.0322 7.6574 121.4815 55.1984 18.4924 179.2304 41 L 4.4100 7.0625 117.4684 55.8594 41.3020 178.1944 42 H 4.2138 7.7277 114.4027 58.0710 26.4527 174.5168 43 I 4.6530 8.3284 112.4935 59.2732 39.5610 174.8216 44 Q 4.6675 8.3436 125.2533 54.3871 30.9352 174.5983 45 L 5.2907 8.4148 121.4620 53.2504 45.4188 175.9101 46 T 4.6943 8.4947 118.7404 61.7715 71.8242 172.8825 47 F 5.3193 8.9146 124.0505 55.8918 41.4378 174.9912 48 F 5.0580 8.9656 124.2990 56.9273 43.0478 172.7536 49 Q 4.8343 7.7445 125.8098 54.4626 31.7195 173.9229 50 S 4.5121 8.4586 118.5381 57.1942 66.0039 174.5201 51 N 4.5232 8.9619 121.9649 54.6192 39.1291 174.6305 52 H 4.7812 8.1497 117.3926 53.8500 30.5832 174.9867 53 E 3.9939 9.1823 125.5169 59.6865 29.3101 179.2490 54 G 3.7209 8.1732 104.8088 47.9369 0.0000 175.1806 55 D 4.4712 8.1153 120.6510 57.0381 40.7630 178.8612 56 L 4.0837 7.8929 119.1449 57.7941 41.7711 179.0478 57 I 3.6067 7.6675 119.7624 64.6495 37.1174 178.0447 58 D 4.2786 8.3840 119.3938 57.4175 40.8026 178.6952 59 A 3.9477 8.3885 121.4961 55.3172 18.1000 179.8008 60 I 3.6981 7.7814 117.2742 64.8987 37.2797 178.0369 61 H 4.4138 7.9319 115.8433 59.0404 28.9192 177.4514 62 E 4.1487 8.4845 119.5182 58.5400 29.2463 179.0178 63 A 4.3715 7.9055 121.3543 55.1073 17.8924 178.8379 64 E 3.9532 8.3576 117.3823 59.2587 29.2285 177.9066 65 E 4.5776 7.4556 113.9352 56.1603 29.8737 176.2256 66 Q 4.0839 8.2968 118.9013 55.7791 31.6653 174.1169 67 Y 4.8974 7.6413 113.1704 56.2375 40.9461 175.0459 68 S 4.8045 8.9885 114.3305 57.7330 63.9587 174.0850 69 G 4.2436 7.5701 106.5938 46.3936 0.0000 172.4659 70 I 5.1147 8.0008 121.1132 59.1463 41.6573 174.8094 71 V 4.6141 8.6330 125.2718 61.1384 33.7842 173.9313 72 L 5.0658 8.9122 130.7708 53.3526 44.7569 174.5004 73 N 5.2032 9.4082 125.9163 50.2228 39.8019 172.6974 74 P 4.3414 0.0000 0.0000 62.3264 32.6932 178.7326 75 G 3.7830 8.4743 108.8309 45.2349 0.0000 174.1158 76 A 4.3135 8.5196 120.7656 54.1950 18.7656 179.8947 77 L 3.3419 7.8353 116.0097 57.1282 41.5162 178.7888 78 S 3.9421 7.7627 113.3939 61.7990 61.9646 175.3622 79 H 4.9037 8.1998 116.9778 55.9944 28.9371 175.4473 80 Y 4.5489 7.1777 114.5639 56.0334 41.9157 175.9858 81 S 4.1907 7.7094 116.8059 57.6664 61.2878 173.4337 82 Y 4.2883 8.1504 125.8021 60.0671 38.0476 177.3247 83 A 4.1185 7.9935 121.8715 55.0226 18.5946 179.5383 84 I 3.7253 7.6159 118.3591 64.1361 37.1368 178.4305 85 R 3.8730 7.8678 119.3199 59.8369 29.7541 178.4676 86 D 4.4626 8.1262 116.5588 56.8399 41.1012 178.5103 87 A 4.2102 7.8488 121.3929 55.1958 17.9559 179.6385 88 V 3.5709 7.7206 116.7630 66.5340 31.3581 178.4821 89 S 4.2873 8.0046 113.6640 61.0596 62.7228 175.8810 90 S 4.4819 7.7643 114.6379 57.9859 63.4831 173.7829 91 I 4.8211 6.9758 114.3557 58.4182 39.7918 175.7318 92 S 4.4787 9.2519 116.0760 59.3823 63.7102 174.8124 93 L 4.4178 7.8295 121.0141 53.9467 42.5360 174.8700 94 P 4.5732 0.0000 0.0000 62.7713 32.9635 175.1490 95 V 4.8649 8.4520 122.6732 60.9557 35.1726 173.8921 96 V 4.7150 8.2734 126.6768 61.0734 34.0178 173.7961 97 E 4.8482 8.7515 129.6939 55.4289 31.0470 175.1026 98 V 4.9101 8.6624 125.6439 61.5034 35.4033 173.7849 99 H 4.7286 8.7067 122.8683 54.3461 32.8285 174.3358 100 L 4.1588 8.6915 122.2643 57.3569 43.1043 177.7690 101 S 4.6290 8.0281 112.5750 57.2405 64.4809 172.9634 102 N 4.7112 8.1991 119.5679 52.1110 37.6683 174.9665 103 L 3.7987 8.0563 125.9197 57.7248 41.9284 179.6390 104 Y 4.1040 6.9241 114.6703 60.4213 37.7789 176.9739 105 A 4.4661 7.8489 120.3736 52.0890 19.5447 176.8951 106 R 4.8601 7.7279 116.7250 54.3567 32.8282 175.3761 107 E 3.8951 8.4205 117.5121 57.4584 30.3315 177.3266 108 E 3.4028 8.9378 123.1337 59.6173 29.2830 179.5451 109 F 4.3328 7.9794 112.1446 59.4050 37.9345 176.4125 110 R 3.5094 6.8513 116.7825 56.6640 30.0836 176.9683 111 H 4.7657 7.8772 115.9236 55.2164 29.1270 174.9245 112 Q 4.6000 7.3979 119.2543 54.3202 31.4787 173.5230 113 S 5.0352 8.6691 115.8362 56.8644 63.9130 174.0484 114 V 4.0759 8.6216 120.3323 61.9944 32.1055 176.9205 115 I 4.0899 7.8248 121.1580 62.8009 38.0908 178.0289 116 A 4.0555 7.9593 123.0540 54.4844 18.4503 177.5742 117 P 4.3305 0.0000 0.0000 65.0188 31.4228 177.3430 118 V 4.1663 7.6188 108.3289 60.8546 32.3906 175.4488 119 A 4.5479 7.4721 123.4877 50.4531 20.2653 177.8037 120 K 4.0937 9.1337 119.4817 59.0589 32.3940 177.6730 121 G 3.9216 7.1857 102.6355 46.6388 0.0000 171.6777 122 Q 5.1484 8.4981 119.0836 54.7502 32.6212 174.5298 123 I 4.6135 8.5662 124.4476 59.5088 40.5654 174.6889 124 V 4.6575 8.3174 126.0882 62.2334 34.3064 175.7657 125 G 3.9727 8.8542 114.7430 45.3928 0.0000 173.5647 126 L 4.4670 7.6963 118.1164 54.0751 42.3642 178.3755 127 G 3.9044 7.9741 110.0907 45.3827 0.0000 174.6397 128 A 4.1831 8.4866 118.8477 54.8341 18.2800 179.4470 129 E 4.0506 8.4053 117.7229 59.0110 29.6045 178.7827 130 G 3.6037 8.1730 106.3452 47.9602 0.0000 175.0932 131 Y 4.1015 7.6133 118.9939 60.8440 37.9406 178.9987 132 K 3.6233 8.0445 118.6317 59.4556 32.1675 179.1570 133 L 4.0603 8.0353 118.9163 57.8312 41.5383 179.5728 134 A 3.9699 8.1351 120.6833 55.0006 18.4272 179.7691 135 V 3.2949 7.9569 116.9955 66.2599 31.6152 178.4072 136 R 4.0983 8.5317 118.1335 59.4182 29.8850 178.3324 137 Y 4.0735 8.3662 119.5504 60.8368 38.5944 178.1181 138 L 3.7197 7.7422 118.4126 57.8720 41.6487 179.3311 139 L 4.2881 7.6921 117.9907 57.6976 41.6630 179.4060 140 S 4.2134 7.8549 113.1031 60.7031 62.9745 174.8285 141 Q 4.1292 7.4250 125.9981 55.9746 28.7190 175.2756 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 1 P 0.00 4.32 0.00 1.57 2.14 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 2 H 8.25 4.77 0.00 3.08 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.24 5.63 0.00 2.97 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 4 L 8.30 4.41 0.00 0.73 1.16 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.44 4.54 1.55 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.69 0.93 0.00 0.00 6 L 9.18 5.04 0.00 1.66 1.54 0.96 0.73 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 7 N 9.21 5.36 0.00 2.60 2.67 0.00 0.00 6.44 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 8 G 8.84 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.69 0.00 2.18 2.22 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 10 N 9.17 4.48 0.00 2.95 2.97 0.00 0.00 6.50 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 11 V 7.42 3.55 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 1.05 0.00 0.00 1.00 0.00 0.00 12 N 8.01 4.45 0.00 2.80 2.99 0.00 0.00 6.00 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 13 R 7.89 4.12 0.00 1.82 1.91 0.00 3.28 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 14 L 7.16 3.60 0.00 1.73 1.58 0.73 1.19 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 15 G 8.58 4.58 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 0.00 0.00 0.00 16 S 7.14 3.67 0.00 4.06 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 17 R 7.24 4.52 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 18 E 7.82 3.70 0.00 2.04 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 2.29 1.98 0.00 19 P 0.00 5.03 0.00 2.28 2.36 0.00 3.87 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 2.08 1.93 0.00 20 E 8.23 3.91 0.00 1.85 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 2.29 2.42 0.00 21 V 7.35 3.79 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 0.33 0.00 0.00 0.66 0.00 0.00 22 F 7.62 4.94 0.00 3.06 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 23 G 9.65 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 24 R 8.13 4.35 0.00 1.84 1.85 0.00 3.28 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 25 Q 7.84 4.51 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 26 T 7.80 5.31 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 1.18 0.00 0.00 27 L 8.25 3.90 0.00 1.70 1.61 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.73 3.70 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 1.13 0.00 0.00 29 D 8.97 4.28 0.00 2.67 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 30 I 7.64 3.76 1.80 0.00 0.00 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 1.42 0.78 0.71 0.00 0.00 31 E 7.81 3.28 0.00 1.22 1.73 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 1.68 1.47 0.00 32 T 7.82 3.94 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 1.19 0.00 0.00 33 D 8.17 4.42 0.00 2.70 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 34 L 8.32 3.86 0.00 2.04 1.93 0.92 0.87 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 *35 F 8.13 4.46 0.00 2.31 2.29 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 0.00 36 Q 7.75 4.25 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 37 F 8.39 4.22 0.00 3.12 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 38 A 8.10 4.07 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 0.00 0.00 0.00 0.00 0.00 39 E 8.24 3.99 0.00 2.12 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 2.30 2.19 0.00 40 A 7.66 4.03 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 41 L 7.06 4.41 0.00 1.68 1.55 0.92 1.01 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 42 H 7.73 4.21 0.00 3.30 3.47 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.33 4.65 1.89 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 1.00 0.00 0.00 44 Q 8.34 4.67 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 45 L 8.41 5.29 0.00 1.32 0.96 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.49 4.69 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 1.32 0.00 0.00 47 F 8.91 5.32 0.00 2.92 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 48 F 8.97 5.06 0.00 3.11 2.87 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 49 Q 7.74 4.83 0.00 1.90 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 50 S 8.46 4.51 0.00 3.60 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.96 4.52 0.00 2.71 2.78 0.00 0.00 6.89 8.16 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 52 H 8.15 4.78 0.00 3.37 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.18 3.99 0.00 1.99 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 2.36 2.33 0.00 54 G 8.17 3.72 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 0.00 0.00 0.00 55 D 8.12 4.47 0.00 3.02 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 56 L 7.89 4.08 0.00 1.70 1.74 0.91 0.95 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 57 I 7.67 3.61 1.97 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 1.49 0.70 0.75 0.00 0.00 58 D 8.38 4.28 0.00 2.81 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 59 A 8.39 3.95 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 60 I 7.78 3.70 1.97 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 1.54 0.64 0.99 0.00 0.00 61 H 7.93 4.41 0.00 3.29 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.48 4.15 0.00 2.11 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 2.32 2.33 0.00 63 A 7.91 4.37 1.58 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 0.00 0.00 64 E 8.36 3.95 0.00 2.12 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 2.39 2.50 0.00 65 E 7.46 4.58 0.00 1.97 1.89 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 2.25 2.27 0.00 66 Q 8.30 4.08 0.00 1.58 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 67 Y 7.64 4.90 0.00 2.99 2.97 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 0.00 0.00 0.00 68 S 8.99 4.80 0.00 3.94 3.98 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 69 G 7.57 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 0.00 0.00 0.00 0.00 70 I 8.00 5.11 1.86 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 1.10 1.10 0.87 0.00 0.00 71 V 8.63 4.61 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 1.02 0.00 0.00 0.84 0.00 0.00 72 L 8.91 5.07 0.00 1.74 1.44 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.41 5.20 0.00 2.71 2.96 0.00 0.00 6.83 8.57 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 74 P 0.00 4.34 0.00 2.13 2.08 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 75 G 8.47 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 0.00 0.00 0.00 76 A 8.52 4.31 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 0.00 0.00 0.00 0.00 0.00 77 L 7.84 3.34 0.00 1.69 1.44 0.83 0.47 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 78 S 7.76 3.94 0.00 3.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.90 0.00 3.46 3.51 0.00 5.68 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.18 4.55 0.00 2.90 2.87 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 81 S 7.71 4.19 0.00 3.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.29 0.00 3.15 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 83 A 7.99 4.12 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 84 I 7.62 3.73 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.88 0.00 0.00 85 R 7.87 3.87 0.00 2.01 2.29 0.00 3.43 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 86 D 8.13 4.46 0.00 2.73 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 87 A 7.85 4.21 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 88 V 7.72 3.57 2.23 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 1.04 0.00 0.00 0.99 0.00 0.00 89 S 8.00 4.29 0.00 4.09 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 90 S 7.76 4.48 0.00 4.06 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 0.00 91 I 6.98 4.82 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 1.02 1.34 0.98 0.00 0.00 92 S 9.25 4.48 0.00 3.99 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 93 L 7.83 4.42 0.00 1.61 1.72 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.57 0.00 2.20 2.25 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 2.12 2.00 0.00 95 V 8.45 4.86 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 0.91 0.00 0.00 0.95 0.00 0.00 96 V 8.27 4.71 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 0.84 0.00 0.00 0.89 0.00 0.00 97 E 8.75 4.85 0.00 2.07 1.75 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 2.21 2.34 0.00 98 V 8.66 4.91 1.71 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 0.41 0.00 0.00 0.75 0.00 0.00 99 H 8.71 4.73 0.00 3.00 3.07 0.00 5.66 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.69 4.16 0.00 1.74 1.78 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.03 4.63 0.00 3.88 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 0.00 102 N 8.20 4.71 0.00 2.71 2.71 0.00 0.00 6.86 6.66 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 0.00 103 L 8.06 3.80 0.00 0.98 1.47 0.56 0.77 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 0.00 104 Y 6.92 4.10 0.00 2.98 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 0.00 105 A 7.85 4.47 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 0.00 106 R 7.73 4.86 0.00 1.74 1.74 0.00 3.06 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 107 E 8.42 3.90 0.00 1.39 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 2.46 2.33 0.00 108 E 8.94 3.40 0.00 1.94 1.94 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 2.32 2.28 0.00 109 F 7.98 4.33 0.00 3.11 3.16 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 0.00 110 R 6.85 3.51 0.00 1.54 1.69 0.00 2.87 0.00 0.00 3.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 111 H 7.88 4.77 0.00 3.21 3.45 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.40 4.60 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 113 S 8.67 5.04 0.00 3.85 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 0.00 114 V 8.62 4.08 1.82 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 0.43 0.00 0.00 0.53 0.00 0.00 115 I 7.82 4.09 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.90 0.00 0.00 116 A 7.96 4.06 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 0.00 117 P 0.00 4.33 0.00 2.09 2.17 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 118 V 7.62 4.17 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 0.71 0.00 0.00 1.08 0.00 0.00 119 A 7.47 4.55 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 0.00 120 K 9.13 4.09 0.00 1.83 1.89 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.70 7.81 121 G 7.19 3.92 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 0.00 0.00 0.00 122 Q 8.50 5.15 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.57 0.00 123 I 8.57 4.61 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.62 0.86 0.00 0.00 124 V 8.32 4.66 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 0.57 0.00 0.00 0.86 0.00 0.00 125 G 8.85 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.70 4.47 0.00 1.61 1.68 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.97 3.90 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 0.00 0.00 0.00 128 A 8.49 4.18 1.44 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 0.00 0.00 0.00 129 E 8.41 4.05 0.00 2.13 2.21 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 2.41 2.47 0.00 130 G 8.17 3.60 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 0.00 0.00 0.00 131 Y 7.61 4.10 0.00 3.18 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 0.00 132 K 8.04 3.62 0.00 1.97 1.76 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.52 7.81 133 L 8.04 4.06 0.00 1.82 1.74 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.14 3.97 1.32 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 0.00 0.00 135 V 7.96 3.29 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 1.16 0.00 0.00 0.92 0.00 0.00 136 R 8.53 4.10 0.00 2.13 2.09 0.00 3.33 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 137 Y 8.37 4.07 0.00 3.05 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 0.00 138 L 7.74 3.72 0.00 1.53 0.89 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.69 4.29 0.00 1.90 1.81 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.85 4.21 0.00 3.99 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 0.00 141 Q 7.43 4.13 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.58 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.