NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.0955 8.0249 121.4495 61.1579 38.1214 174.6144 21 I 4.0693 8.2509 127.2412 59.8092 38.0546 174.1665 22 D 4.5087 8.5498 126.0128 56.3907 42.2793 175.9949 23 R 4.3841 7.1558 111.6923 55.5965 31.4713 173.5156 24 I 4.0868 8.2200 119.3167 61.0247 37.9623 175.3337 25 D 4.7017 8.4503 124.0803 56.1823 42.8602 175.1463 26 H 4.9895 7.8254 110.0874 56.1516 31.2049 172.0478 27 L 4.7412 8.1651 117.5412 54.8123 44.1525 174.3329 28 V 4.8166 8.3233 118.7875 61.0847 33.6901 174.3608 29 L 4.7422 8.8208 127.8144 53.3432 44.3095 175.5038 30 T 4.8645 8.5309 121.1223 62.7551 69.9431 174.3600 31 V 4.9028 8.5805 119.8790 59.3261 35.0577 177.4251 32 S 4.0862 8.9709 117.0837 60.7921 63.4479 174.8005 33 D 4.5614 7.7864 120.0011 51.3382 43.6577 175.2638 34 I 3.7447 8.4644 128.6432 64.7833 37.4116 178.2583 35 S 4.2037 8.1770 115.2673 62.1768 62.7609 176.9541 36 T 3.9657 8.5512 118.4300 66.8513 68.3106 176.9549 37 T 4.0391 8.0738 117.6650 66.7268 68.5189 176.6325 38 I 3.8947 8.3501 122.0602 64.5525 37.1505 178.3785 39 R 3.9486 7.9046 118.3224 59.4556 29.9944 178.3943 40 F 3.8428 8.1153 119.7408 62.0084 39.3292 176.9978 41 Y 3.9089 8.1230 115.3601 60.7187 37.7170 178.4744 42 E 4.6805 8.3298 121.1632 58.7092 29.4524 179.0493 43 E 3.8922 8.2335 118.0243 59.6955 28.4551 178.6649 44 V 3.5139 7.8148 118.8565 65.1170 31.3129 177.5585 45 L 3.8921 6.9066 120.6472 55.0748 41.8065 177.7566 46 G 4.1137 6.9937 104.6766 47.1370 0.0000 173.7639 47 F 5.0256 8.2031 119.1257 57.1001 40.4120 174.4327 48 S 5.2674 9.0110 115.2267 56.9280 65.6432 174.3607 49 A 4.5781 8.8547 126.3687 51.9165 19.8956 176.3231 50 V 4.5666 8.6430 111.4733 60.7261 37.2389 173.9226 51 T 5.2323 8.7320 117.4207 60.9339 71.1746 173.6671 52 F 4.9129 8.5602 120.7418 54.0311 41.7909 174.8672 53 K 3.6927 9.4698 115.8942 58.0276 29.6230 176.5926 54 Q 3.5509 8.3128 119.4193 57.5208 29.1557 174.3073 55 N 4.8317 7.5701 111.1877 52.0922 39.4319 174.8616 56 R 3.8951 7.1719 118.6122 56.1901 31.2470 175.8824 57 K 5.0913 8.2456 119.9599 55.0631 36.2077 174.8460 58 A 5.0445 8.5318 122.3214 51.2972 23.3543 175.0279 59 L 5.1048 8.9384 120.1849 53.2445 44.3658 175.8897 60 I 4.7287 9.4646 124.3142 59.7740 40.2079 174.7131 61 F 4.8423 8.2733 117.3380 56.1561 41.1680 174.1140 62 G 3.8745 9.0173 111.1349 47.2947 0.0000 173.4968 63 A 4.5209 8.6050 125.5987 51.5093 19.3241 175.6891 64 Q 4.6989 7.6057 118.3250 55.5922 33.6479 173.8903 65 K 4.4569 7.7749 117.3097 56.2513 36.6802 174.7605 66 I 4.9899 8.5833 120.8155 59.6424 40.3198 174.9967 67 N 5.1704 9.2319 125.3404 52.7169 40.2262 174.1008 68 L 5.2054 8.6847 122.4815 53.3541 44.1742 175.6205 69 H 5.0602 9.1219 120.8593 54.0667 31.8148 173.2279 70 Q 5.3768 8.6264 121.8844 54.3789 29.8991 175.8647 71 Q 3.9356 8.7217 121.4543 56.8084 29.4003 176.5219 72 E 3.5160 8.5598 123.3598 58.0266 26.6067 175.3473 *74 E 3.9583 7.9938 114.8314 55.8672 31.6678 178.5901 *75 F 4.2126 8.5718 123.9776 56.4239 38.7409 173.3360 76 E 4.0996 8.9537 117.2722 59.0588 29.3458 177.2642 77 P 4.5641 0.0000 0.0000 62.0974 30.2526 174.8527 78 K 4.4294 7.8643 122.7505 55.8856 34.8076 175.3313 79 A 4.1585 8.4486 121.4781 52.1310 18.7524 178.7393 80 S 3.9573 8.7772 116.3415 61.2100 63.1712 175.2834 81 R 4.6021 7.2614 118.1294 52.8804 30.4642 172.0433 82 P 4.2834 0.0000 0.0000 63.1957 32.1089 176.6393 83 T 4.5265 8.2416 118.8808 61.5309 71.9546 171.6700 84 P 4.8927 0.0000 0.0000 63.3680 31.8970 176.6310 85 G 4.0151 9.0491 108.7641 46.5569 0.0000 174.1512 86 S 4.5163 7.7283 111.5349 57.7845 63.7665 174.0064 87 A 4.4928 7.5765 123.5350 51.7744 20.6228 176.5865 88 D 4.9169 8.5027 119.3618 53.1748 43.1071 174.1339 89 L 4.7864 9.0439 125.5344 52.6448 45.7626 175.1190 90 C 5.1283 8.2465 121.3744 57.6087 33.9621 172.8980 91 F 5.0386 9.6845 125.2516 55.8054 41.8899 174.3297 92 I 4.9306 8.5291 122.7507 60.3113 38.5527 174.9865 93 T 4.8790 9.1021 121.2591 60.4451 69.8782 173.9035 94 S 4.5562 8.8310 120.1754 59.0491 64.0974 174.4937 95 T 4.0940 7.5454 118.9172 62.3720 68.9668 173.1456 96 P 4.1609 0.0000 0.0000 63.0874 32.4915 176.6296 97 I 3.6437 8.7137 122.5305 64.6647 37.9791 177.5950 98 N 4.3460 8.2117 116.3566 56.4565 38.3170 177.0126 99 D 4.3442 7.9201 119.9636 57.0687 40.9878 178.6149 100 V 3.5227 7.7736 118.8112 65.9638 31.5728 177.9959 101 V 3.5541 8.0254 118.2937 66.2255 31.3103 177.8338 102 S 4.0713 7.9412 112.4273 61.3736 62.2338 175.8133 103 E 3.8885 8.1507 121.1262 59.5739 29.2678 179.2609 104 I 3.5893 7.7399 119.5938 64.4807 37.1877 178.5119 105 L 3.9409 7.9215 119.4294 58.0467 41.3015 179.5475 106 Q 4.1419 8.3090 116.6748 58.7255 28.6970 178.2603 107 A 4.2824 7.7751 119.4827 52.2546 18.7543 177.9420 108 G 3.8026 8.4283 105.6462 45.7088 0.0000 173.2441 109 I 4.3394 7.3003 119.9289 59.2436 38.4592 176.0028 110 S 4.3009 8.5169 119.5117 58.0739 63.0310 173.0356 111 I 4.5013 8.0070 126.8937 59.6903 38.2385 176.1111 112 V 3.7091 8.6955 126.4874 65.6244 31.7519 175.4170 113 E 4.5181 8.0897 117.1841 55.9664 32.0062 174.2926 114 G 4.2543 8.7948 108.7595 43.4787 0.0000 171.2700 115 P 4.8772 0.0000 0.0000 62.8108 31.7555 176.3653 116 V 4.5973 8.5614 122.2340 59.7070 34.7402 174.4640 117 E 4.3336 8.8435 124.3689 56.7354 30.3443 175.7789 118 R 4.7918 8.9732 124.5770 55.0335 35.6544 173.8144 119 T 4.6337 8.4590 116.7165 62.3404 69.4785 175.8027 120 G 3.7881 8.7646 116.9890 43.9471 0.0000 172.9995 121 A 4.2040 8.6016 121.0156 54.3913 18.4332 178.3920 122 T 4.5860 8.6770 109.9771 62.4792 70.7966 174.2601 123 G 4.0945 7.5510 107.3012 45.9029 0.0000 171.3070 124 E 4.7476 8.1168 118.7406 55.4528 30.8275 175.3295 125 I 5.0074 8.2317 118.6057 59.3047 40.7801 176.0333 *127 S 4.5503 8.6849 115.3721 58.0864 64.4799 171.6175 128 I 4.8376 8.4074 123.2624 59.4247 40.8837 173.5668 129 Y 5.3759 9.2444 127.0482 56.4764 40.8277 174.7735 130 I 5.0507 8.8727 115.5174 60.0551 41.8322 173.4652 131 R 5.8013 8.7327 120.5784 53.6059 33.2304 175.8462 132 D 3.3700 8.1286 121.5868 50.6574 41.2587 175.1999 133 P 4.0000 0.0000 0.0000 65.5012 31.1970 177.2551 134 D 4.5132 8.0770 115.5733 54.2592 41.3197 177.5626 135 G 4.0737 8.1557 107.9867 44.6658 0.0000 173.7262 136 N 4.6184 8.6772 118.1863 53.1927 40.0291 173.8122 137 L 4.8807 8.9072 125.2436 54.3985 43.8863 175.2088 138 I 5.0205 9.4134 127.5382 59.4922 40.2686 173.9361 139 E 4.6293 9.4920 128.4441 54.4241 31.8223 174.3410 140 I 4.9281 8.4626 128.5094 59.9239 39.4907 175.1895 141 S 4.9958 9.3397 122.3346 56.8292 68.0926 172.6704 142 Q 4.8356 8.2016 121.0402 54.5468 32.3278 174.0051 143 Y 4.3581 8.7906 123.6189 57.7445 38.9055 175.8434 144 V 3.8600 8.5116 122.5798 63.2371 31.5587 175.7026 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 20 I 8.02 4.10 1.86 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 1.41 1.06 0.90 0.00 0.00 21 I 8.25 4.07 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 1.41 0.13 0.90 0.00 0.00 22 D 8.55 4.51 0.00 2.65 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 23 R 7.16 4.38 0.00 1.84 1.86 0.00 3.00 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 24 I 8.22 4.09 1.88 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 1.29 0.55 0.92 0.00 0.00 25 D 8.45 4.70 0.00 2.73 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 26 H 7.83 4.99 0.00 3.18 3.12 0.00 5.37 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 27 L 8.17 4.74 0.00 1.76 1.79 0.98 0.42 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 28 V 8.32 4.82 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 0.66 0.00 0.00 0.88 0.00 0.00 29 L 8.82 4.74 0.00 1.64 1.60 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.53 4.86 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 31 V 8.58 4.90 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.97 0.00 0.00 32 S 8.97 4.09 0.00 4.02 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 33 D 7.79 4.56 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.46 3.74 1.90 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 1.69 0.41 0.96 0.00 0.00 35 S 8.18 4.20 0.00 4.05 3.96 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 36 T 8.55 3.97 4.42 0.00 0.00 0.00 0.00 0.00 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 37 T 8.07 4.04 4.53 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 1.51 0.00 0.00 38 I 8.35 3.89 2.09 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 1.63 0.98 1.00 0.00 0.00 39 R 7.90 3.95 0.00 2.14 2.26 0.00 3.23 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 40 F 8.12 3.84 0.00 3.08 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 41 Y 8.12 3.91 0.00 3.21 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 42 E 8.33 4.68 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 2.64 2.55 0.00 43 E 8.23 3.89 0.00 1.77 1.87 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 2.29 2.39 0.00 44 V 7.81 3.51 1.15 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 0.61 0.00 0.00 -0.04 0.00 0.00 45 L 6.91 3.89 0.00 0.64 0.49 0.54 0.46 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 46 G 6.99 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 0.00 0.00 0.00 47 F 8.20 5.03 0.00 2.97 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 48 S 9.01 5.27 0.00 3.80 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 49 A 8.85 4.58 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 50 V 8.64 4.57 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 0.70 0.00 0.00 1.07 0.00 0.00 51 T 8.73 5.23 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 1.24 0.00 0.00 52 F 8.56 4.91 0.00 3.14 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 53 K 9.47 3.69 0.00 1.58 1.78 0.00 2.05 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.66 7.81 54 Q 8.31 3.55 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 55 N 7.57 4.83 0.00 2.74 2.87 0.00 0.00 6.03 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 56 R 7.17 3.90 0.00 0.67 1.00 0.00 3.05 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 57 K 8.25 5.09 0.00 1.66 1.70 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.35 7.81 58 A 8.53 5.04 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 59 L 8.94 5.10 0.00 1.65 1.77 0.88 0.94 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 60 I 9.46 4.73 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.76 0.00 0.00 61 F 8.27 4.84 0.00 2.84 2.24 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 62 G 9.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.60 4.52 1.20 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 0.00 0.00 0.00 64 Q 7.61 4.70 0.00 1.28 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 65 K 7.77 4.46 0.00 1.74 1.56 0.00 0.97 0.00 0.00 1.32 0.00 0.00 2.44 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.10 1.23 7.81 66 I 8.58 4.99 1.92 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 1.00 0.00 0.00 67 N 9.23 5.17 0.00 2.64 2.83 0.00 0.00 6.39 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 68 L 8.68 5.21 0.00 1.57 1.63 1.00 0.88 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 69 H 9.12 5.06 0.00 3.05 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.63 5.38 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 71 Q 8.72 3.94 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 72 E 8.56 3.52 0.00 2.12 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 2.21 2.23 0.00 *74 E 7.99 3.96 0.00 2.01 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 2.13 1.88 0.00 *75 F 8.57 4.21 0.00 2.29 2.13 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 0.00 76 E 8.95 4.10 0.00 1.98 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 2.24 1.89 0.00 77 P 0.00 4.56 0.00 2.20 2.16 0.00 3.65 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 2.02 1.97 0.00 78 K 7.86 4.43 0.00 1.89 1.88 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 79 A 8.45 4.16 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 80 S 8.78 3.96 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 81 R 7.26 4.60 0.00 1.70 1.86 0.00 3.19 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 82 P 0.00 4.28 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 83 T 8.24 4.53 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 84 P 0.00 4.89 0.00 2.05 2.15 0.00 3.83 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 85 G 9.05 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 0.00 0.00 0.00 86 S 7.73 4.52 0.00 4.00 4.01 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 87 A 7.58 4.49 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 88 D 8.50 4.92 0.00 2.67 2.56 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 89 L 9.04 4.79 0.00 1.39 1.02 1.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.25 5.13 0.00 2.96 2.64 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 91 F 9.68 5.04 0.00 2.96 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 92 I 8.53 4.93 2.02 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 1.38 1.11 1.10 0.00 0.00 93 T 9.10 4.88 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 94 S 8.83 4.56 0.00 4.04 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 95 T 7.55 4.09 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 96 P 0.00 4.16 0.00 2.30 2.02 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 97 I 8.71 3.64 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.91 0.00 0.00 98 N 8.21 4.35 0.00 2.77 2.86 0.00 0.00 7.07 8.08 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 99 D 7.92 4.34 0.00 3.00 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 0.00 100 V 7.77 3.52 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 0.95 0.00 0.00 1.00 0.00 0.00 101 V 8.03 3.55 2.24 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 0.94 0.00 0.00 0.98 0.00 0.00 102 S 7.94 4.07 0.00 3.95 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 0.00 103 E 8.15 3.89 0.00 2.21 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 2.29 2.49 0.00 104 I 7.74 3.59 2.01 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 1.42 0.88 0.93 0.00 0.00 105 L 7.92 3.94 0.00 1.85 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.31 4.14 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 107 A 7.78 4.28 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.80 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 0.00 109 I 7.30 4.34 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.77 1.02 0.00 0.00 110 S 8.52 4.30 0.00 3.84 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 0.00 111 I 8.01 4.50 1.89 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 1.32 0.74 1.05 0.00 0.00 112 V 8.70 3.71 2.24 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 0.67 0.00 0.00 0.97 0.00 0.00 113 E 8.09 4.52 0.00 1.82 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 2.22 2.19 0.00 114 G 8.79 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 0.00 0.00 0.00 0.00 115 P 0.00 4.88 0.00 2.10 2.08 0.00 3.75 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 2.00 1.97 0.00 116 V 8.56 4.60 2.13 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 0.87 0.00 0.00 0.96 0.00 0.00 117 E 8.84 4.33 0.00 2.01 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 2.39 2.34 0.00 118 R 8.97 4.79 0.00 1.68 1.77 0.00 3.41 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 119 T 8.46 4.63 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 0.00 120 G 8.76 3.79 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 0.00 0.00 0.00 121 A 8.60 4.20 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 0.00 122 T 8.68 4.59 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 1.10 0.00 0.00 123 G 7.55 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 0.00 0.00 0.00 124 E 8.12 4.75 0.00 1.94 1.87 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 2.43 2.27 0.00 125 I 8.23 5.01 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.72 -0.20 0.00 0.00 *127 S 8.68 4.55 0.00 3.77 3.39 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 0.00 128 I 8.41 4.84 1.87 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 1.23 1.61 0.91 0.00 0.00 129 Y 9.24 5.38 0.00 2.90 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 0.00 130 I 8.87 5.05 1.99 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 1.44 0.90 1.00 0.00 0.00 131 R 8.73 5.80 0.00 1.64 1.77 0.00 3.23 0.00 0.00 3.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 132 D 8.13 3.37 0.00 1.95 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 0.00 133 P 0.00 4.00 0.00 1.97 2.11 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 134 D 8.08 4.51 0.00 2.70 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 0.00 135 G 8.16 4.07 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 0.00 0.00 0.00 136 N 8.68 4.62 0.00 2.96 2.84 0.00 0.00 6.58 7.39 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 0.00 137 L 8.91 4.88 0.00 1.82 1.60 1.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.41 5.02 2.09 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.03 1.18 0.00 0.00 139 E 9.49 4.63 0.00 1.70 1.66 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 1.72 1.47 0.00 140 I 8.46 4.93 1.84 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 1.24 0.79 0.90 0.00 0.00 141 S 9.34 5.00 0.00 3.54 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.84 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 143 Y 8.79 4.36 0.00 3.02 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 0.00 144 V 8.51 3.86 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 0.74 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.