NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3772 8.3193 115.3932 58.4621 64.9330 174.2557 3 Y 4.3763 7.8710 117.3951 54.6059 38.6098 174.1302 4 A 3.9063 8.8703 124.2062 53.2957 19.6125 179.4536 5 G 4.3008 7.3324 104.1702 46.5323 0.0000 171.4110 6 D 5.7423 8.6493 120.7298 53.0130 42.3373 176.2572 7 I 5.0029 8.9826 116.4197 59.1499 41.3343 175.3978 8 T 4.5480 9.0333 114.3938 60.4821 70.0766 173.8787 9 P 4.3946 0.0000 0.0000 66.1293 31.1777 178.9643 10 L 3.9318 7.8351 116.9236 57.8452 41.4811 179.4590 11 Q 3.9685 8.0088 117.8927 58.7143 28.5495 178.6138 12 A 3.9903 8.3927 122.1757 54.8891 18.4115 179.3739 13 W 3.9217 8.3180 126.9208 60.5823 30.7594 177.6609 14 E 4.0416 8.5088 120.7469 58.9880 28.8600 178.4212 15 M 3.9404 8.0973 117.2641 58.6165 32.1481 177.8480 16 L 3.9929 7.9485 119.4681 57.7386 41.4468 179.6783 17 S 3.9751 8.0019 114.1643 60.8116 62.7766 175.4811 18 D 4.8362 7.8084 120.6067 54.2386 41.5639 176.2901 19 N 4.8159 7.6534 116.1146 50.3491 40.1034 172.8499 20 P 4.1325 0.0000 0.0000 65.0856 31.5852 177.8303 21 R 4.2739 7.7582 113.7952 55.9538 30.6513 176.3368 22 A 4.3658 7.8619 120.9685 52.0117 19.3126 177.2386 23 V 4.2347 8.5510 120.0608 60.8693 34.8191 174.0073 24 L 4.6843 8.2825 129.5677 53.6248 44.0268 174.8129 25 V 4.3780 8.6588 127.2382 61.0761 33.7603 174.0173 26 D 4.8198 8.5235 129.7314 53.4960 41.9817 176.4035 27 V 5.7252 8.7074 119.1522 60.7657 32.9872 176.6865 28 R 4.4290 8.4653 120.3974 55.7333 30.7756 176.6504 29 C 4.0484 7.9563 114.5084 57.5564 31.8493 174.0027 30 E 3.0665 8.5602 122.1906 59.2870 28.9403 179.1367 31 A 4.1736 7.7552 120.6066 55.1053 18.4351 179.5511 32 E 3.9852 7.8996 116.6692 59.3048 29.3603 179.0754 33 W 4.4523 7.6882 119.0820 59.9740 28.9084 178.6214 34 R 3.6693 8.0325 116.9946 59.3893 29.7204 177.9822 35 F 4.5853 8.3556 115.3141 58.2016 39.4004 176.9348 36 V 4.0940 8.9092 117.2038 65.7403 32.2734 175.1808 37 G 4.4682 6.1915 102.2898 43.6162 0.0000 172.5021 38 V 4.2982 9.0080 112.4196 58.4797 36.2199 173.9378 39 P 5.0785 0.0000 0.0000 63.1819 32.1702 175.1854 40 D 4.9168 9.2861 120.8189 52.8036 43.2665 175.2247 41 L 4.8301 8.6106 125.1502 54.4692 42.5019 178.4970 42 S 4.3313 8.6887 117.1138 61.4238 62.7924 176.5726 43 S 4.3665 8.2685 113.4780 59.8603 61.9327 174.4134 44 L 4.4753 8.5843 121.4163 53.7489 41.6100 176.7364 45 G 3.9509 8.1262 106.4487 46.2070 0.0000 173.7135 46 R 4.6737 7.3428 111.5592 54.2449 32.8522 173.6467 47 E 4.6425 8.2305 116.9964 54.3011 31.6824 176.3931 48 V 3.5492 7.9588 121.5880 62.8445 32.6451 175.1388 49 V 4.0350 8.0153 126.6935 61.5133 33.2688 173.9209 50 Y 4.7695 8.2879 125.3852 56.1688 39.8753 175.5950 51 V 4.6391 8.8054 124.4092 61.4174 35.0677 173.7755 52 E 4.8279 9.3424 128.5794 56.6086 29.7417 176.9799 53 W 4.1261 9.8896 135.0000 59.7808 31.1548 175.4870 54 A 4.8573 7.7296 119.5355 50.1553 20.8008 176.2876 55 T 4.3887 8.3779 112.4984 60.7096 70.0714 175.8575 56 S 4.2573 8.2933 116.8281 60.6486 62.8233 175.1678 57 D 4.4167 7.9277 118.3910 53.7939 39.5917 177.2013 58 G 3.9070 8.5364 109.6437 45.4307 0.0000 173.5910 59 T 4.3809 7.8602 110.1319 59.8520 70.5323 173.9431 60 H 4.0719 8.2753 122.7640 56.0489 30.5520 174.9260 61 N 4.3917 8.4526 125.3742 52.9786 37.6720 175.0772 62 D 4.5699 8.4495 124.4639 55.5493 41.2107 177.4408 63 N 4.8865 8.4821 116.8879 52.8051 38.8742 175.9134 64 F 4.1569 8.0912 125.0268 61.6022 39.3338 177.0567 65 L 3.9042 8.2016 118.8398 58.0895 42.0073 178.5125 66 A 3.9703 7.9729 120.1710 55.2685 18.3061 179.3272 67 E 3.8698 8.2788 117.0888 59.2760 29.5568 179.1643 68 L 3.7556 7.9521 120.7010 58.4154 41.8817 179.3913 69 R 3.9429 7.8818 116.5290 59.1522 29.9955 178.3211 70 D 4.4199 7.9489 117.2567 57.1366 41.3581 177.8707 71 R 4.2411 7.9848 117.1039 56.5436 30.9316 177.3029 72 I 3.6332 7.3441 111.9532 61.6923 38.5630 175.6137 73 P 3.5382 0.0000 0.0000 62.8685 31.3280 173.7552 *81 R 4.3816 7.8082 118.8514 56.8630 31.4068 174.2446 82 P 4.7796 0.0000 0.0000 62.8349 33.2842 174.9828 83 V 4.6932 9.0666 123.4886 61.1160 34.5338 174.0632 84 I 5.0061 8.5349 128.8011 59.5800 40.1449 174.3360 85 F 5.0460 9.3165 126.4432 55.6157 41.3250 174.5140 86 L 5.0963 8.9103 125.3353 53.6545 44.9444 175.0955 87 C 5.3934 8.4306 123.1754 57.8611 32.0654 174.1078 88 R 4.0197 8.8585 118.5993 59.6160 30.2819 178.7563 89 S 4.7966 8.0583 109.1862 58.1137 65.0619 174.6931 90 G 4.0633 8.7518 108.3498 45.5592 0.0000 174.1938 91 N 4.7475 8.0047 115.6914 55.1735 39.8511 177.1730 92 R 4.0748 7.8525 118.4048 58.5336 30.1427 178.8791 93 S 3.8818 7.8959 113.7712 60.7130 62.9357 176.2703 94 I 3.1196 7.3107 123.7869 64.0945 36.7766 178.3903 95 G 3.2121 7.1959 104.9001 47.4324 0.0000 175.6077 96 A 2.5800 5.8550 122.1208 54.2089 18.3032 179.4274 97 A 2.9692 7.0454 119.3191 54.8715 18.2305 179.7825 98 E 3.8794 7.8724 117.4074 59.4154 29.5119 179.6960 99 V 3.5938 7.6492 118.0758 65.8919 31.5412 177.8116 100 A 4.0656 7.9781 120.6492 55.5331 18.1130 179.7781 101 T 3.8144 7.8967 114.0065 67.0031 68.4056 176.9173 102 E 4.0597 8.2378 118.6262 58.8144 29.5026 178.3154 103 A 4.4631 7.7869 118.6785 51.4505 18.8972 177.5428 104 G 3.8114 8.0032 105.5779 46.5349 0.0000 174.9686 105 I 4.4574 7.8616 123.0449 59.6739 36.0695 175.0836 106 T 4.9843 7.9300 115.1811 58.6897 72.5704 171.8961 107 P 4.4155 0.0000 0.0000 62.7138 33.0262 174.6233 108 A 5.2649 8.4217 124.9163 50.7148 21.0904 175.1473 109 Y 5.3504 9.3493 120.6896 56.3438 41.7580 174.2113 110 N 5.2112 9.3233 120.7131 51.9326 41.4889 173.9163 111 V 4.6070 8.6177 126.6990 61.6322 32.3809 175.3184 112 L 4.0128 8.9138 129.3463 56.5202 42.3247 179.2309 113 D 4.7112 9.2717 120.3356 53.5721 40.4966 175.5096 114 G 4.1916 7.7492 107.6087 45.8041 0.0000 174.0525 115 F 4.4820 9.0069 119.9729 60.3502 39.8966 178.0062 116 E 4.2833 8.9027 118.9128 55.0232 31.3458 177.2035 117 G 4.4238 8.2499 106.2362 42.9765 0.0000 172.4752 118 H 4.5833 8.0480 114.6106 54.3284 29.8902 173.9213 119 L 4.4179 8.1891 122.1743 53.9489 42.2630 176.1435 120 D 4.6784 8.8729 127.3732 52.2793 41.3076 176.6477 121 A 4.0341 8.4654 120.6900 55.1343 18.3700 178.2756 122 E 4.1781 8.4961 113.7447 56.0763 29.7551 176.5733 123 G 3.8404 7.9951 106.9822 46.8970 0.0000 173.2541 124 H 5.0162 8.1730 115.2499 53.6681 31.7959 174.6541 125 R 4.5596 7.7529 121.5767 55.2554 32.2196 177.2741 126 G 3.7745 8.3114 109.9588 46.6196 0.0000 174.3681 127 A 4.2259 7.8859 123.0707 53.6247 19.0332 177.5608 128 T 4.5513 7.7577 103.8395 59.5704 72.2843 172.5331 129 G 3.7661 8.8112 106.7923 44.0091 0.0000 174.1386 130 W 4.1805 9.2338 128.2946 60.9081 30.8008 178.3958 131 R 3.5889 7.5889 116.3136 58.9829 29.0258 178.9412 132 A 3.9307 7.7745 119.4343 54.5708 18.4599 178.8604 133 V 4.0046 7.3874 114.5123 61.2341 31.8694 176.8504 134 G 3.9228 7.9101 107.2207 46.2382 0.0000 174.0228 135 L 3.6710 7.1469 118.4757 53.2236 42.3988 175.4304 136 P 4.4517 0.0000 0.0000 63.4582 32.1638 175.2288 137 W 5.9480 8.5074 119.6643 55.9798 31.3464 173.7332 138 R 4.5717 9.6419 118.7261 54.8431 34.4196 175.7354 139 Q 4.7985 8.6401 116.8490 55.5670 29.9611 175.5775 140 G 3.7279 7.9257 112.8831 46.4910 0.0000 173.2565 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 2 S 8.32 4.38 0.00 4.00 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 3 Y 7.87 4.38 0.00 3.25 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 4 A 8.87 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.33 4.30 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 0.00 6 D 8.65 5.74 0.00 2.68 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 7 I 8.98 5.00 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.81 0.00 0.00 8 T 9.03 4.55 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 1.29 0.00 0.00 9 P 0.00 4.39 0.00 2.14 2.25 0.00 3.63 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.45 0.00 10 L 7.84 3.93 0.00 1.65 1.68 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.01 3.97 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 A 8.39 3.99 1.62 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 0.00 0.00 13 W 8.32 3.92 0.00 3.24 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 14 E 8.51 4.04 0.00 2.20 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 0.00 2.39 2.20 0.00 15 M 8.10 3.94 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 16 L 7.95 3.99 0.00 1.41 1.33 0.91 0.60 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 17 S 8.00 3.98 0.00 3.99 3.83 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 18 D 7.81 4.84 0.00 2.64 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 19 N 7.65 4.82 0.00 2.75 2.66 0.00 0.00 6.83 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 20 P 0.00 4.13 0.00 2.00 2.10 0.00 3.63 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 2.01 2.09 0.00 21 R 7.76 4.27 0.00 1.77 1.94 0.00 3.20 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 A 7.86 4.37 1.21 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 0.00 0.00 0.00 23 V 8.55 4.23 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 0.86 0.00 0.00 0.86 0.00 0.00 24 L 8.28 4.68 0.00 1.71 1.33 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.66 4.38 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.50 0.00 0.00 26 D 8.52 4.82 0.00 2.35 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 0.00 0.00 0.00 27 V 8.71 5.73 2.45 0.00 0.00 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 0.00 0.00 1.11 0.00 0.00 28 R 8.47 4.43 0.00 2.06 1.96 0.00 3.36 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 29 C 7.96 4.05 0.00 3.06 3.06 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 30 E 8.56 3.07 0.00 1.73 1.81 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 2.30 2.46 0.00 31 A 7.76 4.17 1.41 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 0.00 0.00 0.00 32 E 7.90 3.99 0.00 2.04 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 2.44 2.39 0.00 33 W 7.69 4.45 0.00 3.46 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 34 R 8.03 3.67 0.00 1.65 1.83 0.00 3.00 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 35 F 8.36 4.59 0.00 3.23 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 36 V 8.91 4.09 2.41 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 1.02 0.00 0.00 1.06 0.00 0.00 37 G 6.19 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.01 4.30 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 0.68 0.00 0.00 1.07 0.00 0.00 39 P 0.00 5.08 0.00 1.80 0.85 0.00 3.49 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.28 0.00 40 D 9.29 4.92 0.00 2.85 2.80 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 41 L 8.61 4.83 0.00 1.91 1.61 0.82 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.69 4.33 0.00 4.05 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 43 S 8.27 4.37 0.00 4.15 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 44 L 8.58 4.48 0.00 1.66 1.54 -0.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.13 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 46 R 7.34 4.67 0.00 1.77 1.81 0.00 2.92 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 47 E 8.23 4.64 0.00 1.91 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 2.20 2.18 0.00 48 V 7.96 3.55 1.51 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 -0.24 0.00 0.00 0.76 0.00 0.00 49 V 8.02 4.04 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 0.87 0.00 0.00 0.79 0.00 0.00 50 Y 8.29 4.77 0.00 2.44 1.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.64 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 0.93 0.00 0.00 0.92 0.00 0.00 52 E 9.34 4.83 0.00 1.99 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 1.95 2.42 0.00 53 W 9.89 4.13 0.00 3.08 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 54 A 7.73 4.86 1.17 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 55 T 8.38 4.39 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 1.21 0.00 0.00 56 S 8.29 4.26 0.00 3.84 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 57 D 7.93 4.42 0.00 2.75 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 58 G 8.54 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 59 T 7.86 4.38 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 1.17 0.00 0.00 60 H 8.28 4.07 0.00 2.75 3.03 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.45 4.39 0.00 2.70 2.81 0.00 0.00 7.11 8.40 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 62 D 8.45 4.57 0.00 2.68 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 63 N 8.48 4.89 0.00 2.88 2.82 0.00 0.00 6.56 7.59 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 64 F 8.09 4.16 0.00 3.24 3.17 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 65 L 8.20 3.90 0.00 1.99 1.74 0.99 1.08 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 66 A 7.97 3.97 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 67 E 8.28 3.87 0.00 2.08 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 2.34 2.46 0.00 68 L 7.95 3.76 0.00 1.02 1.56 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.88 3.94 0.00 1.80 1.97 0.00 3.24 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 70 D 7.95 4.42 0.00 2.77 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 71 R 7.98 4.24 0.00 1.77 1.93 0.00 3.23 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 72 I 7.34 3.63 1.82 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 1.44 0.50 0.89 0.00 0.00 73 P 0.00 3.54 0.00 2.07 2.20 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 *81 R 7.81 4.38 0.00 1.75 1.96 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 82 P 0.00 4.78 0.00 2.16 2.28 0.00 3.55 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 2.14 2.19 0.00 83 V 9.07 4.69 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 0.63 0.00 0.00 0.96 0.00 0.00 84 I 8.53 5.01 1.83 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 1.32 0.91 1.00 0.00 0.00 85 F 9.32 5.05 0.00 3.03 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 86 L 8.91 5.10 0.00 1.71 1.41 1.08 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.43 5.39 0.00 2.91 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 88 R 8.86 4.02 0.00 2.13 1.99 0.00 3.16 0.00 0.00 3.60 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 89 S 8.06 4.80 0.00 3.88 3.83 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 90 G 8.75 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 91 N 8.00 4.75 0.00 2.82 2.84 0.00 0.00 7.10 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 92 R 7.85 4.07 0.00 1.91 2.14 0.00 3.25 0.00 0.00 3.46 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 93 S 7.90 3.88 0.00 3.99 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 94 I 7.31 3.12 1.81 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 1.28 0.60 0.73 0.00 0.00 95 G 7.20 3.21 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 0.00 0.00 0.00 0.00 96 A 5.86 2.58 0.30 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 97 A 7.05 2.97 0.82 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 0.00 0.00 98 E 7.87 3.88 0.00 2.01 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 2.42 2.34 0.00 99 V 7.65 3.59 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 1.32 0.00 0.00 1.24 0.00 0.00 100 A 7.98 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.90 3.81 4.40 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 1.25 0.00 0.00 102 E 8.24 4.06 0.00 1.96 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 2.36 2.56 0.00 103 A 7.79 4.46 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 0.00 104 G 8.00 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 0.00 105 I 7.86 4.46 2.10 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 1.32 0.69 1.01 0.00 0.00 106 T 7.93 4.98 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 1.22 0.00 0.00 107 P 0.00 4.42 0.00 1.78 2.15 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 108 A 8.42 5.26 1.42 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 0.00 0.00 0.00 109 Y 9.35 5.35 0.00 2.98 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 0.00 110 N 9.32 5.21 0.00 2.48 2.99 0.00 0.00 7.02 8.55 0.00 0.00 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 V 8.62 4.61 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 1.14 0.00 0.00 1.16 0.00 0.00 112 L 8.91 4.01 0.00 1.79 1.65 0.98 0.91 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 0.00 113 D 9.27 4.71 0.00 2.96 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 0.00 114 G 7.75 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 0.00 0.00 0.00 115 F 9.01 4.48 0.00 2.98 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 0.00 116 E 8.90 4.28 0.00 2.18 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 2.23 2.43 0.00 117 G 8.25 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 0.00 0.00 0.00 0.00 118 H 8.05 4.58 0.00 3.38 3.47 0.00 5.45 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 0.00 119 L 8.19 4.42 0.00 1.61 1.63 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.87 4.68 0.00 2.88 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 0.00 121 A 8.47 4.03 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 0.00 122 E 8.50 4.18 0.00 1.71 1.64 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 2.24 2.18 0.00 123 G 8.00 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 0.00 0.00 0.00 124 H 8.17 5.02 0.00 3.44 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.75 4.56 0.00 1.77 2.10 0.00 3.33 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 126 G 8.31 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 0.00 0.00 0.00 127 A 7.89 4.23 1.26 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 0.00 0.00 128 T 7.76 4.55 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 1.26 0.00 0.00 129 G 8.81 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 0.00 0.00 0.00 130 W 9.23 4.18 0.00 3.56 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 0.00 131 R 7.59 3.59 0.00 1.28 1.06 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 132 A 7.77 3.93 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 0.00 133 V 7.39 4.00 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 0.65 0.00 0.00 0.84 0.00 0.00 134 G 7.91 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 0.00 135 L 7.15 3.67 0.00 0.27 0.45 -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.45 0.00 2.54 2.12 0.00 2.50 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 137 W 8.51 5.95 0.00 4.00 3.51 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 0.00 138 R 9.64 4.57 0.00 1.81 1.94 0.00 3.05 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 139 Q 8.64 4.80 0.00 2.31 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 140 G 7.93 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 * Residues marked with a * may have inaccurate shift predictions.