NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1949 8.1233 122.4392 51.9554 20.7303 175.2369 2 T 4.6010 7.9222 115.6221 61.4643 71.2813 171.7119 3 Y 4.9873 9.6376 125.6682 56.1474 41.9049 174.8161 4 K 4.7991 9.5871 122.8549 55.8138 33.6599 176.0628 5 V 4.7538 8.8976 126.7428 61.5255 33.6921 174.4256 6 T 4.8133 8.7922 126.1535 62.4990 70.2407 173.8840 7 L 5.2078 9.0766 127.2737 53.0657 44.3641 175.6578 8 I 4.8017 8.6163 124.0923 61.3509 40.9897 172.8287 9 N 4.9108 9.7494 126.2042 53.5316 44.8755 175.4564 *13 G 3.9312 8.7583 102.6671 46.3186 0.0000 173.9098 14 L 4.8758 8.3237 122.6088 53.0004 44.7703 175.6944 15 N 5.2221 8.6805 124.0514 52.2843 38.4269 173.4127 16 K 4.7268 9.0791 124.3572 55.5407 37.4604 175.0001 17 T 5.1542 8.5604 119.9413 61.9067 70.3339 173.8711 18 I 4.5939 8.7149 119.7887 59.1024 41.2628 174.0814 19 E 4.9088 8.6067 122.2976 55.2176 30.8371 175.9304 20 V 4.3876 8.9054 124.6402 60.2448 34.4206 173.1230 21 P 4.8635 0.0000 0.0000 62.7441 32.2158 177.2131 22 D 4.7877 8.8854 121.5050 54.9387 39.4844 176.5291 23 D 4.5376 7.8944 119.1282 52.8833 39.8437 175.1376 24 Q 4.6460 8.0431 119.7411 54.6912 31.8708 175.3439 25 Y 4.5984 8.0343 121.7500 57.7761 39.9848 177.2706 26 I 3.7874 8.5321 124.3419 64.3836 37.2732 178.6803 27 L 3.9163 7.8872 121.2304 58.2000 41.9362 178.4265 28 D 4.2924 8.1849 117.1433 57.4422 41.3166 177.9857 29 A 4.0061 8.1622 120.9249 55.0582 18.3050 179.3584 30 A 3.9887 8.3471 119.6184 55.4857 18.4384 179.7658 31 E 4.0791 8.3590 117.0135 59.6451 29.3016 179.4353 32 E 4.0182 8.1262 117.5065 59.0029 29.5283 178.2844 33 A 4.4517 7.5937 118.0007 51.7979 18.5655 177.9031 34 G 3.8484 7.9298 106.0002 46.3929 0.0000 173.7080 35 I 4.1835 7.9357 120.7698 59.9280 38.0287 175.8844 36 D 4.7250 8.5442 125.7440 53.0528 39.8796 175.6345 37 L 4.6209 8.0106 123.5835 52.1108 43.6842 175.2783 38 P 4.3802 0.0000 0.0000 63.1080 32.0954 174.8340 39 Y 4.8789 7.3409 116.7917 56.7946 39.6305 172.6729 40 S 4.5609 7.8048 113.3389 59.7402 65.9813 175.0040 41 C 4.1937 8.0427 116.0671 58.2913 30.2378 174.8933 42 R 3.9552 8.2585 116.1731 56.9212 27.1677 176.0519 43 A 4.4923 7.3855 115.8476 51.5988 20.3333 178.0982 44 G 3.8263 8.4091 104.9867 46.4683 0.0000 174.7376 45 A 4.8921 7.8049 120.2079 51.5610 19.3876 175.8315 46 C 4.0257 7.5213 111.9895 58.1585 32.5729 173.6358 47 S 4.4028 7.6423 111.6158 58.3112 63.2198 175.8659 48 T 4.0606 7.8115 118.8379 66.8480 68.0269 174.5547 49 C 4.8217 8.1500 113.1583 57.0514 30.3065 172.6994 50 A 4.3906 8.0141 123.4387 53.1209 19.1574 177.4330 51 G 4.4987 9.5215 107.9671 44.2888 0.0000 170.9663 52 K 4.8883 8.9662 120.6637 54.1329 34.9112 175.0486 53 L 4.4768 8.9331 128.6725 55.0964 41.3493 176.9401 54 I 4.2551 8.9498 126.0916 63.1609 38.3459 176.3021 55 S 4.4530 7.9459 114.1493 58.2247 66.3446 175.4108 56 G 4.3179 9.5367 108.2444 46.0135 0.0000 172.2978 57 T 4.7796 8.1766 106.8153 60.0447 72.2562 173.5189 58 V 4.8887 8.3134 114.9584 59.7576 36.1957 174.6435 59 D 4.9183 9.2549 122.9284 52.4415 42.7167 176.5874 60 Q 5.2029 8.5648 127.1318 54.5611 29.2110 177.9110 61 S 4.2989 8.6317 115.7176 62.3090 63.0584 174.7054 62 D 4.6187 8.0721 118.9357 54.8819 41.0336 176.3924 63 Q 4.3265 8.0595 118.4966 56.0617 29.2408 176.0977 64 S 4.6126 8.7805 110.8116 58.2007 65.0254 175.6217 65 F 4.1887 8.5638 122.6214 61.0037 39.3839 175.5412 66 L 4.2316 8.5565 120.4089 54.4947 42.0572 177.3726 67 D 4.6806 8.9005 123.7789 52.2287 42.3200 177.2735 68 D 4.3655 8.4934 118.5411 57.7917 40.6525 178.9957 69 D 4.3477 8.0635 118.7288 57.4401 41.0302 178.6617 70 Q 4.1480 8.9001 119.0235 58.9824 28.7197 178.7863 71 I 3.7694 7.9908 120.9084 64.5784 36.9466 178.3150 72 E 3.9961 8.2314 118.0284 59.2521 29.3906 178.7401 73 A 4.2169 7.7540 118.6769 52.8022 18.8588 178.0802 74 G 3.8992 7.9893 106.1103 44.8343 0.0000 173.3147 75 Y 4.7431 7.4423 117.0955 57.9575 38.8911 175.6012 76 V 4.6335 8.8696 121.7022 61.4270 35.7714 174.3430 77 L 4.8351 9.2802 128.6903 53.5998 41.5129 177.2886 78 T 4.0235 8.3578 115.5874 64.5169 69.1545 176.3840 79 C 4.1613 8.1221 115.6372 60.1302 29.9107 174.4032 80 V 2.3810 7.5444 112.5768 59.9871 32.8686 173.8227 81 A 4.9383 7.5425 122.7696 50.6305 20.8518 176.2162 82 Y 5.0783 8.8867 121.6292 56.2025 39.9076 173.8330 83 P 4.8172 0.0000 0.0000 63.0686 32.2599 176.0471 84 T 4.5467 8.4902 111.3821 61.3090 69.7314 173.0060 85 S 3.7543 6.9030 115.0451 57.0012 66.0059 173.7827 86 D 4.8519 8.6433 119.9016 55.4211 41.6940 175.7626 87 C 4.8147 9.0262 116.0857 57.1667 34.2431 172.6556 88 V 4.8077 8.8136 118.6656 61.1943 34.2694 174.0959 89 I 5.0298 9.0396 128.4475 59.4586 40.8124 174.4515 90 E 4.8916 9.0587 127.5629 56.2900 30.4220 176.8767 91 T 4.5402 8.6514 115.6620 60.7987 71.1417 173.6198 92 H 4.0299 8.4908 115.2244 57.7040 25.7442 176.4158 93 K 4.5063 8.1161 116.6026 56.1686 32.3101 176.9660 94 E 3.8689 8.2208 122.0615 59.6561 29.2586 178.3923 95 E 4.0603 8.4196 116.7192 59.7854 29.0641 178.4881 96 E 4.1714 8.2862 117.7213 57.9975 29.6791 178.2829 97 L 3.8046 7.6067 118.8375 55.9227 41.7947 176.2876 98 Y 4.4110 7.2087 120.9222 58.0305 38.4628 175.2084 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 A 8.12 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.92 4.60 4.12 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 1.17 0.00 0.00 3 Y 9.64 4.99 0.00 3.03 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 K 9.59 4.80 0.00 1.80 1.79 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.56 7.81 5 V 8.90 4.75 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 1.09 0.00 0.00 1.01 0.00 0.00 6 T 8.79 4.81 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 7 L 9.08 5.21 0.00 1.56 1.59 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.62 4.80 1.88 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 1.12 0.73 0.92 0.00 0.00 9 N 9.75 4.91 0.00 2.73 2.43 0.00 0.00 6.65 7.60 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 *13 G 8.76 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 14 L 8.32 4.88 0.00 1.73 1.65 0.95 0.56 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 15 N 8.68 5.22 0.00 2.72 2.78 0.00 0.00 6.04 7.13 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 16 K 9.08 4.73 0.00 1.73 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 17 T 8.56 5.15 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 1.28 0.00 0.00 18 I 8.71 4.59 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 1.43 1.27 0.93 0.00 0.00 19 E 8.61 4.91 0.00 1.88 1.93 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 2.27 2.30 0.00 20 V 8.91 4.39 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 1.18 0.00 0.00 1.00 0.00 0.00 21 P 0.00 4.86 0.00 2.19 1.94 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 22 D 8.89 4.79 0.00 2.90 2.99 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 0.00 0.00 0.00 23 D 7.89 4.54 0.00 2.59 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 24 Q 8.04 4.65 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 25 Y 8.03 4.60 0.00 2.94 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 26 I 8.53 3.79 1.89 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 1.47 0.91 0.94 0.00 0.00 27 L 7.89 3.92 0.00 1.74 1.61 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.18 4.29 0.00 2.87 2.88 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 0.00 0.00 0.00 29 A 8.16 4.01 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 30 A 8.35 3.99 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 31 E 8.36 4.08 0.00 2.18 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 2.48 0.00 32 E 8.13 4.02 0.00 2.11 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 2.35 2.55 0.00 33 A 7.59 4.45 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 34 G 7.93 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 35 I 7.94 4.18 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 1.32 0.80 0.95 0.00 0.00 36 D 8.54 4.73 0.00 2.70 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 37 L 8.01 4.62 0.00 1.69 1.59 0.94 1.14 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 38 P 0.00 4.38 0.00 2.33 2.09 0.00 3.58 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.75 0.00 39 Y 7.34 4.88 0.00 3.02 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 40 S 7.80 4.56 0.00 3.90 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 41 C 8.04 4.19 0.00 3.12 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 42 R 8.26 3.96 0.00 1.93 1.94 0.00 2.82 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.84 0.00 43 A 7.39 4.49 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 44 G 8.41 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 0.00 0.00 0.00 45 A 7.80 4.89 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 46 C 7.52 4.03 0.00 2.76 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 47 S 7.64 4.40 0.00 3.90 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 48 T 7.81 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 1.15 0.00 0.00 49 C 8.15 4.82 0.00 3.10 3.20 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 50 A 8.01 4.39 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 51 G 9.52 4.50 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 0.00 0.00 0.00 52 K 8.97 4.89 0.00 1.63 1.52 0.00 0.96 0.00 0.00 1.42 0.00 0.00 2.27 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.05 0.94 7.81 53 L 8.93 4.48 0.00 1.63 1.56 0.96 0.93 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 54 I 8.95 4.26 1.85 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 1.26 0.76 0.89 0.00 0.00 55 S 7.95 4.45 0.00 3.83 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 56 G 9.54 4.32 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 0.00 57 T 8.18 4.78 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 1.17 0.00 0.00 58 V 8.31 4.89 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 0.71 0.00 0.00 0.95 0.00 0.00 59 D 9.25 4.92 0.00 2.85 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 60 Q 8.56 5.20 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 61 S 8.63 4.30 0.00 4.04 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 62 D 8.07 4.62 0.00 2.74 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 63 Q 8.06 4.33 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 64 S 8.78 4.61 0.00 3.94 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 65 F 8.56 4.19 0.00 2.93 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 66 L 8.56 4.23 0.00 1.75 1.61 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.90 4.68 0.00 2.85 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 68 D 8.49 4.37 0.00 2.69 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 69 D 8.06 4.35 0.00 2.86 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 70 Q 8.90 4.15 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 71 I 7.99 3.77 2.02 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 1.56 0.96 0.93 0.00 0.00 72 E 8.23 4.00 0.00 2.11 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 2.35 2.58 0.00 73 A 7.75 4.22 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 74 G 7.99 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 75 Y 7.44 4.74 0.00 3.08 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 76 V 8.87 4.63 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 0.87 0.00 0.00 0.99 0.00 0.00 77 L 9.28 4.84 0.00 1.59 1.57 1.15 0.90 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 78 T 8.36 4.02 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 1.24 0.00 0.00 79 C 8.12 4.16 0.00 2.93 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 80 V 7.54 2.38 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 0.36 0.00 0.00 0.76 0.00 0.00 81 A 7.54 4.94 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 82 Y 8.89 5.08 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.82 0.00 2.23 2.13 0.00 3.97 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 84 T 8.49 4.55 4.16 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 1.25 0.00 0.00 85 S 6.90 3.75 0.00 3.71 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 86 D 8.64 4.85 0.00 2.66 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 87 C 9.03 4.81 0.00 3.06 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 88 V 8.81 4.81 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 0.80 0.00 0.00 0.93 0.00 0.00 89 I 9.04 5.03 1.88 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 1.22 0.86 0.92 0.00 0.00 90 E 9.06 4.89 0.00 1.89 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 2.32 2.39 0.00 91 T 8.65 4.54 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 1.25 0.00 0.00 92 H 8.49 4.03 0.00 3.31 3.49 0.00 5.88 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 93 K 8.12 4.51 0.00 2.05 2.06 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.63 1.63 7.81 94 E 8.22 3.87 0.00 2.20 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 2.59 2.57 0.00 95 E 8.42 4.06 0.00 2.29 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 2.42 2.47 0.00 96 E 8.29 4.17 0.00 2.25 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 2.41 2.43 0.00 97 L 7.61 3.80 0.00 0.60 0.94 0.65 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.21 4.41 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.