NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2567 0.0000 0.0000 62.5174 31.5692 173.8587 4 D 4.4449 8.3471 121.0817 53.1414 41.0532 174.5009 5 L 4.9700 8.3415 128.3947 54.6889 43.2940 177.3741 6 S 4.4773 8.5855 114.8871 59.3999 63.9686 174.5886 7 G 4.0657 7.7296 110.0663 45.0600 0.0000 172.9804 8 T 4.1064 8.4248 116.1355 63.4748 69.4912 174.1262 9 W 4.9694 8.4582 125.0878 55.5178 31.4500 174.6814 10 Y 5.0941 8.9394 122.5710 56.4833 39.7770 175.4063 11 V 5.0700 8.8156 116.8299 59.4489 36.3478 174.3709 12 L 5.0784 8.6156 121.4107 53.9390 42.8319 176.1629 13 E 5.0124 9.6275 123.7601 53.8092 33.1769 174.2271 14 G 4.1729 8.5827 113.4861 45.2077 0.0000 177.0897 15 D 4.6058 9.4091 128.4630 52.5726 41.2285 173.4666 16 P 4.5758 0.0000 0.0000 64.5775 31.4661 177.5603 17 G 3.9140 8.8843 110.4561 45.4559 0.0000 173.0896 18 E 4.3245 7.9646 120.6159 55.4241 30.4026 175.2969 19 H 5.3147 8.5137 119.6201 53.7984 32.3460 172.4267 20 L 4.6589 8.4320 122.2135 53.5773 43.1880 175.5164 21 V 4.7049 8.2775 124.9403 61.0746 34.5634 174.4969 22 V 4.4143 9.1974 127.2677 61.1395 34.7768 174.0300 23 E 5.2573 9.0563 126.8501 54.6903 30.2962 174.8625 24 A 4.4292 8.4211 126.1754 51.4869 22.1879 175.2878 25 L 3.3979 9.3864 115.5087 55.6979 39.1946 175.1725 26 G 3.8523 8.7808 103.3414 46.2169 0.0000 173.6029 27 E 4.5053 7.9333 117.4405 55.4483 33.8191 174.5428 28 R 4.5066 8.2698 118.8268 55.3487 31.2487 175.9129 29 L 5.2878 9.0576 124.7343 52.3652 45.0078 175.7810 30 S 4.7767 8.3147 115.1262 56.5910 66.6172 172.1880 31 G 3.9022 8.5110 106.2022 44.2762 0.0000 172.2949 32 I 4.8147 7.2558 121.0689 58.9327 41.4398 174.3636 33 W 5.2143 9.2173 125.6877 55.2234 32.5167 176.4570 34 T 4.5588 10.4151 113.4277 62.4844 68.6833 175.2139 35 S 4.2337 7.5423 116.6907 55.8673 67.2163 174.6666 36 R 3.3053 7.0843 122.6901 59.3848 29.9864 178.6030 37 E 3.8498 7.8195 117.8876 59.4958 29.3412 179.2668 38 L 3.9827 8.0346 118.7444 57.5838 41.6785 179.4100 39 A 2.5800 7.4556 120.2827 54.6186 18.2000 179.5843 40 E 3.8322 8.2014 117.0064 59.1378 29.4419 179.3945 41 A 3.8094 7.6889 120.7463 54.9277 18.2129 179.3453 42 F 4.0300 7.4184 117.7824 61.5429 39.7253 177.0340 43 L 3.9598 7.8744 118.3096 57.6790 41.1539 179.3362 44 A 3.9222 8.0084 120.2372 55.2494 18.3813 178.6660 45 H 4.5031 7.5751 112.0558 56.7603 30.5123 175.2457 46 H 4.8571 7.8055 117.6663 53.3312 29.0146 172.6272 47 P 4.3030 0.0000 0.0000 65.4347 32.2491 178.0777 48 H 4.4755 8.2000 112.9618 57.4270 29.0923 177.3889 49 L 3.6164 7.5865 120.4767 55.8701 41.9063 176.7563 50 G 3.6413 7.0624 104.5616 45.8655 0.0000 172.5149 *52 R 4.2781 7.2829 117.4090 56.2551 31.9743 176.0219 53 V 4.8750 8.2683 119.6849 60.5399 33.1186 175.3004 54 S 4.9397 9.2021 118.6971 56.4375 66.1214 172.6293 55 A 4.4721 8.6131 123.8853 50.9623 20.4233 177.4485 56 L 4.4416 8.6811 122.8787 53.1602 41.2837 177.0044 57 E 3.8737 8.4210 122.5478 57.7096 30.4846 177.7939 58 S 4.6461 7.4286 113.0821 56.2704 66.6267 174.9700 59 R 3.6522 8.1893 121.2981 59.3498 29.8078 178.1180 60 A 3.9437 7.8966 120.0275 55.4033 18.3877 179.5197 61 L 3.9802 7.7201 116.9512 57.8699 41.6122 179.9543 62 K 3.9998 8.0088 118.4911 59.2803 31.8226 179.3481 63 E 3.9563 8.4170 118.9791 59.1981 29.3113 179.1829 64 A 3.9887 8.0473 120.7824 55.3597 18.5195 178.9165 65 Y 4.1046 8.2105 118.0204 61.1009 38.6716 178.4977 66 L 3.9243 8.1504 118.5626 57.6909 41.9410 179.4861 67 R 4.0288 8.0518 118.0330 59.1367 29.7940 178.8099 68 A 4.0070 7.9834 119.9004 55.2208 18.5981 179.4503 69 L 4.0643 7.6796 117.5315 57.2430 41.6001 179.3301 70 G 3.9669 7.7442 105.7843 44.8788 0.0000 174.7977 *72 L 4.1913 7.7365 118.2793 53.0873 43.2717 176.8303 73 Q 3.4170 7.8871 115.9223 56.6767 26.8582 173.6215 74 V 4.0290 7.9987 117.6929 62.2817 32.2362 175.0234 75 E 4.5770 8.4675 125.8948 56.3926 31.6528 174.8714 76 A 5.1742 7.7510 119.7788 50.5761 23.2202 175.0958 77 V 4.7975 8.4321 119.4142 59.4793 35.0649 174.3714 *79 V 3.7503 8.3924 118.8977 64.2466 32.4963 175.9932 80 D 4.0804 8.4709 129.1065 55.1818 38.8640 173.7899 81 Y 4.0462 7.0311 118.2669 57.5227 39.7752 174.8665 82 R 4.1169 6.9064 120.2437 54.9992 31.4430 173.4258 83 P 4.1325 0.0000 0.0000 65.7782 31.6541 178.0594 84 G 3.8557 8.2637 105.6555 48.8957 0.0000 173.9280 85 T 3.8386 6.7046 115.5453 64.1449 68.9464 173.4478 86 H 4.9155 7.9958 118.5017 55.0330 29.4778 174.2727 87 R 4.2447 7.3766 113.3761 55.3771 33.6121 174.2978 88 A 4.0487 8.8128 126.8147 52.1875 19.0126 176.4834 89 Q 4.4170 8.5072 122.1962 54.7003 29.5581 175.1490 90 V 4.5667 8.3128 124.0651 60.8391 34.0122 174.5671 91 A 4.7368 8.8968 128.8673 49.9675 22.1859 175.6657 92 R 4.3995 8.4947 121.6510 55.5818 31.1620 177.9553 93 V 3.5827 8.5564 122.4031 66.0789 30.9758 178.4507 94 K 3.9652 7.9488 118.9778 59.5399 32.1701 178.4276 95 D 4.2104 7.9322 118.6857 57.0462 40.8418 178.5362 96 L 4.2003 8.0440 119.8371 57.5996 41.4834 179.2355 97 L 4.3921 8.2543 118.3274 57.1966 41.6531 178.6422 98 E 4.3397 7.6171 118.0656 58.3032 30.0784 177.7807 99 E 3.9820 8.2214 119.6407 59.4186 29.7909 179.1043 100 V 3.7614 8.5101 118.2290 63.6592 31.3627 177.5712 101 R 4.2424 7.9543 117.8856 57.4442 30.2565 177.4276 102 R 4.3683 7.6858 116.7825 56.2772 30.8764 176.0020 103 A 4.1417 7.4637 126.1143 52.2392 18.6366 177.0212 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 3 P 0.00 4.26 0.00 2.03 2.06 0.00 3.63 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 1.90 2.06 0.00 4 D 8.35 4.44 0.00 2.75 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 5 L 8.34 4.97 0.00 1.82 2.02 0.76 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.59 4.48 0.00 4.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.73 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 8 T 8.42 4.11 4.21 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 0.00 0.00 0.46 0.00 0.00 9 W 8.46 4.97 0.00 3.08 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 10 Y 8.94 5.09 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 11 V 8.82 5.07 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 0.20 0.00 0.00 0.88 0.00 0.00 12 L 8.62 5.08 0.00 1.69 1.72 0.82 1.00 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 13 E 9.63 5.01 0.00 1.98 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 0.00 2.44 2.44 0.00 14 G 8.58 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 0.00 0.00 0.00 15 D 9.41 4.61 0.00 2.99 2.63 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 0.00 0.00 0.00 0.00 16 P 0.00 4.58 0.00 2.04 2.03 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 17 G 8.88 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 18 E 7.96 4.32 0.00 2.14 1.88 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 2.27 2.51 0.00 19 H 8.51 5.31 0.00 3.15 3.26 0.00 5.68 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 20 L 8.43 4.66 0.00 1.69 1.68 1.00 1.05 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 21 V 8.28 4.70 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 0.83 0.00 0.00 0.95 0.00 0.00 22 V 9.20 4.41 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 0.89 0.00 0.00 0.91 0.00 0.00 23 E 9.06 5.26 0.00 1.87 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 2.22 2.13 0.00 24 A 8.42 4.43 1.19 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 0.00 0.00 25 L 9.39 3.40 0.00 1.75 1.72 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.78 3.85 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 0.00 0.00 0.00 27 E 7.93 4.51 0.00 1.98 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 2.19 2.22 0.00 28 R 8.27 4.51 0.00 1.69 1.84 0.00 3.38 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 29 L 9.06 5.29 0.00 1.54 1.43 0.83 0.81 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 30 S 8.31 4.78 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.51 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 32 I 7.26 4.81 1.39 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.74 0.42 0.00 0.00 33 W 9.22 5.21 0.00 3.36 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 34 T 10.42 4.56 4.36 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 1.34 0.00 0.00 35 S 7.54 4.23 0.00 3.97 3.89 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 36 R 7.08 3.31 0.00 1.49 1.67 0.00 3.18 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 37 E 7.82 3.85 0.00 1.99 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 2.34 2.39 0.00 38 L 8.03 3.98 0.00 1.78 1.90 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.46 2.58 1.13 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 0.00 0.00 40 E 8.20 3.83 0.00 2.05 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 2.25 2.48 0.00 41 A 7.69 3.81 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 42 F 7.42 4.03 0.00 2.74 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 43 L 7.87 3.96 0.00 1.81 1.64 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.01 3.92 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 45 H 7.58 4.50 0.00 3.07 3.10 0.00 5.60 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 7.81 4.86 0.00 2.78 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.30 0.00 2.02 2.11 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 48 H 8.20 4.48 0.00 3.32 3.54 0.00 5.46 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.59 3.62 0.00 1.63 1.76 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.06 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 *52 R 7.28 4.28 0.00 1.95 2.13 0.00 2.97 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 1.60 1.86 0.00 53 V 8.27 4.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.06 0.00 0.00 54 S 9.20 4.94 0.00 3.89 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 55 A 8.61 4.47 1.13 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 0.00 0.00 56 L 8.68 4.44 0.00 1.50 1.47 0.69 0.96 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 57 E 8.42 3.87 0.00 1.87 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 2.22 2.18 0.00 58 S 7.43 4.65 0.00 3.95 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 59 R 8.19 3.65 0.00 1.92 1.88 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 60 A 7.90 3.94 1.29 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 0.00 0.00 61 L 7.72 3.98 0.00 1.78 1.69 0.92 0.73 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 62 K 8.01 4.00 0.00 1.51 1.03 0.00 0.96 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.47 1.18 7.81 63 E 8.42 3.96 0.00 2.14 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 2.41 2.44 0.00 64 A 8.05 3.99 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 65 Y 8.21 4.10 0.00 3.18 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.15 3.92 0.00 1.87 1.77 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.05 4.03 0.00 2.15 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 A 7.98 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.06 0.00 1.66 1.56 0.25 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.74 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 *72 L 7.74 4.19 0.00 1.64 1.74 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.89 3.42 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 74 V 8.00 4.03 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 0.75 0.00 0.00 0.93 0.00 0.00 75 E 8.47 4.58 0.00 2.09 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 2.19 2.21 0.00 76 A 7.75 5.17 1.19 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 0.00 0.00 77 V 8.43 4.80 1.95 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 0.87 0.00 0.00 0.87 0.00 0.00 *79 V 8.39 3.75 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 0.65 0.00 0.00 0.75 0.00 0.00 80 D 8.47 4.08 0.00 2.68 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 81 Y 7.03 4.05 0.00 2.71 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 82 R 6.91 4.12 0.00 1.97 2.05 0.00 3.04 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 83 P 0.00 4.13 0.00 2.03 2.15 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 84 G 8.26 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 0.00 0.00 0.00 85 T 6.70 3.84 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 1.19 0.00 0.00 86 H 8.00 4.92 0.00 3.11 3.25 0.00 5.74 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.38 4.24 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 88 A 8.81 4.05 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 89 Q 8.51 4.42 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 90 V 8.31 4.57 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 0.77 0.00 0.00 0.88 0.00 0.00 91 A 8.90 4.74 1.07 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 92 R 8.49 4.40 0.00 1.92 1.83 0.00 3.29 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 93 V 8.56 3.58 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 1.06 0.00 0.00 0.92 0.00 0.00 94 K 7.95 3.97 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 95 D 7.93 4.21 0.00 2.86 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 96 L 8.04 4.20 0.00 1.93 1.94 0.67 0.30 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 97 L 8.25 4.39 0.00 1.86 1.77 0.93 0.91 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 E 7.62 4.34 0.00 2.15 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 2.43 2.45 0.00 99 E 8.22 3.98 0.00 2.29 2.33 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 2.56 2.55 0.00 100 V 8.51 3.76 2.18 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 0.85 0.00 0.00 0.70 0.00 0.00 101 R 7.95 4.24 0.00 1.98 2.01 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.06 0.00 102 R 7.69 4.37 0.00 1.94 1.97 0.00 3.17 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 A 7.46 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.