NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1425 8.2644 123.5790 50.9535 19.5265 176.7172 2 K 3.5357 9.1891 125.3547 55.8364 30.0642 172.9434 3 Q 3.9059 8.1454 123.7333 58.6289 29.3534 177.8200 4 S 4.2528 8.1325 114.5321 61.6689 62.5842 176.4740 5 M 3.9312 8.6762 122.8974 58.0090 31.8313 178.5163 6 K 4.0186 7.9604 118.9468 58.9881 32.1837 178.3564 7 A 3.9061 8.3610 121.9064 55.2182 18.1064 179.1660 8 R 3.8359 7.2114 115.3339 60.0501 30.4049 178.2814 9 E 4.0832 7.8550 116.5089 58.9493 29.4627 179.3467 10 V 3.5478 7.7559 118.6529 66.0044 31.7144 178.0407 11 K 4.0075 7.8254 119.0226 59.1227 31.6354 179.0680 12 R 4.5884 7.5900 119.2680 58.9619 30.4906 178.9164 13 V 3.7066 7.7107 116.8199 65.1750 31.2246 177.6556 14 A 4.0445 7.7556 120.5393 55.2841 18.0193 179.0094 15 L 4.7637 7.5357 113.1469 55.2833 41.5289 177.6801 16 A 4.2494 7.5202 119.9757 51.5897 19.2875 177.3303 17 D 4.8909 7.8364 119.1562 56.2436 45.4421 177.2220 18 K 4.3213 7.7621 115.9325 57.6455 32.1183 176.6358 19 Y 4.5086 8.1098 114.7897 59.8222 41.7570 177.0617 20 F 4.4945 8.7235 116.8535 57.2162 38.9656 174.7295 21 A 4.8259 7.0653 130.3821 52.0885 18.3978 181.3111 22 K 4.2368 8.7598 121.4365 60.8282 32.0258 178.3419 23 R 4.2110 7.8110 116.3401 57.3547 30.4302 176.8179 24 A 4.2424 7.6359 119.7693 52.5721 18.6323 177.5813 25 E 4.6865 7.6136 111.5194 55.3472 33.1291 176.9233 26 L 3.9282 8.3489 122.8942 58.1403 42.0317 178.7304 27 K 4.1920 7.9498 117.5772 59.0024 32.5106 178.6618 28 A 3.9968 7.4835 121.8978 55.3549 18.1204 179.5678 29 I 3.8535 7.3849 118.1307 63.4754 37.3013 177.6617 30 I 4.3629 7.4059 118.8058 61.3681 36.8829 177.1495 31 S 4.4228 7.6902 115.9050 58.9883 65.4509 174.1033 32 D 4.6663 8.6481 120.3209 52.0422 40.3751 176.5191 33 V 4.1572 7.9250 119.3420 62.3936 29.4991 172.9831 34 N 4.8264 8.1587 121.1632 54.1412 45.7800 174.5192 *40 R 4.7462 7.5617 113.5967 56.1794 31.4005 174.4202 41 W 4.0239 8.0716 123.1662 56.7533 33.3953 173.6292 42 N 4.2936 8.7850 125.2385 57.1245 38.4944 176.3500 43 A 4.2039 8.8162 119.8557 54.2213 18.5143 178.1972 44 V 4.0205 7.8504 115.5330 64.4056 32.3906 176.3260 45 L 5.1194 7.5606 118.9111 55.4181 42.0260 177.7439 46 K 4.4430 7.9156 118.0911 57.5699 35.1423 178.5853 47 L 3.9058 7.5795 119.5440 58.1610 42.0045 177.8002 48 Q 3.9630 8.2212 117.7367 59.7021 29.3019 178.0891 49 T 4.2873 7.6729 115.0760 63.1200 66.1752 172.6944 50 L 4.6009 7.4112 122.3440 55.9171 44.8627 177.0441 51 P 4.5139 0.0000 0.0000 63.2062 31.3410 177.0643 52 R 4.5326 8.1291 123.3811 57.2195 31.6776 175.7971 53 D 4.5846 7.6192 112.9865 54.1680 42.9501 174.4520 54 S 4.6712 7.7854 114.4194 56.8724 64.5521 173.3748 55 S 4.7270 7.9750 118.2023 56.8034 64.7960 175.6932 56 P 4.1183 0.0000 0.0000 65.9908 31.2280 178.0279 57 S 4.2096 8.1587 115.1070 61.6859 62.7993 176.0186 58 R 4.3610 7.5370 113.2157 56.4001 29.1246 175.8628 59 Q 4.6509 7.4724 117.4610 54.4972 31.3549 175.7074 60 R 4.8122 8.1144 121.4819 55.6985 31.8022 173.4179 61 N 4.2861 8.3046 108.2901 54.6426 40.7553 176.2430 62 R 4.4196 7.2580 114.8256 54.7755 29.6908 174.8223 63 C 4.4851 8.0365 117.2902 59.1889 32.2414 173.6487 64 R 4.4813 8.6402 124.8813 56.3267 29.9294 175.9715 65 Q 4.4504 8.0312 117.2305 57.8131 31.0358 176.5217 66 T 4.1088 7.7844 105.9852 64.8766 69.5745 176.1210 67 G 4.6609 8.3606 110.1768 44.7291 0.0000 173.4826 68 R 3.9309 7.8954 120.5502 55.3178 30.6516 175.3022 69 P 4.1667 0.0000 0.0000 65.5108 31.0801 175.6461 70 H 4.9811 7.7156 111.4947 53.4354 31.7815 172.7141 71 G 4.0205 9.2043 106.3330 45.5168 0.0000 173.4682 72 F 5.3010 8.0738 114.4181 54.8968 39.9347 174.6115 73 L 4.1045 7.5491 119.3438 52.3626 44.7164 178.1059 74 R 3.9703 8.0336 122.6017 59.4595 30.1556 178.1275 75 K 4.3217 7.9109 114.9477 56.6475 32.0050 176.1755 76 F 4.6609 8.1835 114.4501 58.2050 45.6255 176.0045 77 G 4.2870 10.5696 108.4647 45.6703 0.0000 172.5312 78 L 5.1633 7.6274 117.3563 51.8929 45.6672 176.1018 79 S 4.8473 8.4829 116.8522 57.9450 65.0197 175.7308 80 R 3.9239 8.5590 121.9373 59.6136 28.8966 178.9488 81 I 3.8435 7.7518 111.0060 62.1859 37.2197 176.6057 82 K 4.4014 7.5410 119.4354 57.8317 33.9622 177.6507 83 V 3.5178 8.6663 119.1176 66.1586 31.3891 177.7236 84 R 3.8160 7.9916 117.8281 59.7721 29.7696 177.9646 85 E 3.8555 8.0666 116.6766 58.9513 29.7375 177.7328 86 A 4.5635 7.7458 118.5007 52.8915 20.4360 178.2073 87 A 4.2956 8.4970 118.8562 55.1081 18.4558 178.8035 88 M 4.3612 7.7253 115.0709 55.8729 32.4840 176.6733 89 R 4.5381 8.2765 117.2499 55.6714 29.9416 177.1967 90 G 4.0320 8.5387 104.8479 47.0448 0.0000 175.9043 91 E 4.0126 7.8676 119.3636 58.1373 29.5605 177.0124 92 I 4.4922 7.5062 119.6309 58.3877 39.5715 173.0870 93 P 4.2280 0.0000 0.0000 64.4007 31.6915 175.4923 94 G 4.1460 8.5727 116.4502 46.4348 0.0000 172.0215 95 L 4.0961 6.6624 129.8577 53.8999 41.0156 176.1161 96 K 4.6756 8.0822 125.2581 54.3487 35.3053 176.5208 97 K 4.1384 8.2827 117.2303 56.0469 32.7928 177.2745 98 A 4.3456 7.9357 124.5303 52.7153 20.1175 178.0583 99 S 4.6260 7.8431 111.1784 58.8756 65.5080 176.1424 100 W 4.6646 7.8255 124.0259 56.6833 28.0782 174.8798 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 8.26 4.14 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 2 K 9.19 3.54 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.51 7.81 3 Q 8.15 3.91 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 4 S 8.13 4.25 0.00 4.03 4.13 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 5 M 8.68 3.93 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 6 K 7.96 4.02 0.00 1.79 1.93 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 7 A 8.36 3.91 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 8 R 7.21 3.84 0.00 1.62 2.11 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 9 E 7.86 4.08 0.00 2.06 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 2.29 2.47 0.00 10 V 7.76 3.55 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 0.98 0.00 0.00 0.95 0.00 0.00 11 K 7.83 4.01 0.00 1.81 1.98 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 12 R 7.59 4.59 0.00 2.05 1.91 0.00 3.15 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 13 V 7.71 3.71 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 1.03 0.00 0.00 0.92 0.00 0.00 14 A 7.76 4.04 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 15 L 7.54 4.76 0.00 1.80 1.74 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.52 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.84 4.89 0.00 2.84 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 18 K 7.76 4.32 0.00 2.00 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 19 Y 8.11 4.51 0.00 2.99 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 20 F 8.72 4.49 0.00 3.09 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 21 A 7.07 4.83 1.06 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 22 K 8.76 4.24 0.00 1.83 1.99 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 23 R 7.81 4.21 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 24 A 7.64 4.24 1.35 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 25 E 7.61 4.69 0.00 2.16 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 0.00 2.27 2.43 0.00 26 L 8.35 3.93 0.00 1.85 1.66 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.95 4.19 0.00 2.07 2.05 0.00 1.44 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.67 7.81 28 A 7.48 4.00 1.38 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 0.00 0.00 29 I 7.38 3.85 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 1.55 1.49 0.93 0.00 0.00 30 I 7.41 4.36 2.01 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 1.75 1.07 1.06 0.00 0.00 31 S 7.69 4.42 0.00 3.94 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 32 D 8.65 4.67 0.00 2.83 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 33 V 7.93 4.16 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 0.78 0.00 0.00 0.93 0.00 0.00 34 N 8.16 4.83 0.00 2.67 2.90 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.56 4.75 0.00 1.82 1.98 0.00 3.32 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 41 W 8.07 4.02 0.00 3.35 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 42 N 8.79 4.29 0.00 2.85 3.08 0.00 0.00 7.09 8.11 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 43 A 8.82 4.20 1.18 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 0.00 0.00 44 V 7.85 4.02 2.32 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 0.98 0.00 0.00 0.86 0.00 0.00 45 L 7.56 5.12 0.00 1.69 1.69 0.98 1.40 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 46 K 7.92 4.44 0.00 1.74 1.79 0.00 1.73 0.00 0.00 2.04 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.36 7.81 47 L 7.58 3.91 0.00 1.49 1.71 0.92 0.72 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 48 Q 8.22 3.96 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.36 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 49 T 7.67 4.29 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 1.21 0.00 0.00 50 L 7.41 4.60 0.00 1.68 1.83 1.01 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.51 0.00 1.71 1.02 0.00 3.57 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.00 52 R 8.13 4.53 0.00 1.65 1.79 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 53 D 7.62 4.58 0.00 2.66 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 54 S 7.79 4.67 0.00 4.55 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 55 S 7.97 4.73 0.00 3.97 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 56 P 0.00 4.12 0.00 2.19 2.11 0.00 3.86 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 57 S 8.16 4.21 0.00 3.95 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 58 R 7.54 4.36 0.00 1.85 2.01 0.00 3.03 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 59 Q 7.47 4.65 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 60 R 8.11 4.81 0.00 1.68 1.67 0.00 3.14 0.00 0.00 3.36 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 61 N 8.30 4.29 0.00 1.86 1.42 0.00 0.00 6.78 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 62 R 7.26 4.42 0.00 1.82 2.12 0.00 3.61 0.00 0.00 3.74 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 63 C 8.04 4.49 0.00 2.99 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 64 R 8.64 4.48 0.00 2.05 1.96 0.00 3.21 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 65 Q 8.03 4.45 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 66 T 7.78 4.11 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 1.22 0.00 0.00 67 G 8.36 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.90 3.93 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 69 P 0.00 4.17 0.00 2.01 2.09 0.00 3.71 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 1.81 1.87 0.00 70 H 7.72 4.98 0.00 3.20 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 9.20 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 72 F 8.07 5.30 0.00 3.12 3.02 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 73 L 7.55 4.10 0.00 1.60 1.56 0.41 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.03 3.97 0.00 1.81 2.02 0.00 3.15 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 75 K 7.91 4.32 0.00 1.70 1.90 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.14 7.81 76 F 8.18 4.66 0.00 3.05 3.02 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 77 G 10.57 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 0.00 0.00 0.00 0.00 78 L 7.63 5.16 0.00 1.78 1.56 1.07 0.87 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 79 S 8.48 4.85 0.00 3.90 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 80 R 8.56 3.92 0.00 1.94 2.12 0.00 2.74 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 81 I 7.75 3.84 1.86 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 1.64 0.47 0.90 0.00 0.00 82 K 7.54 4.40 0.00 1.91 1.85 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.41 7.81 83 V 8.67 3.52 1.85 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 0.40 0.00 0.00 0.68 0.00 0.00 84 R 7.99 3.82 0.00 1.86 1.87 0.00 3.15 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 85 E 8.07 3.86 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 2.30 2.42 0.00 86 A 7.75 4.56 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 87 A 8.50 4.30 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 88 M 7.73 4.36 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.91 0.00 89 R 8.28 4.54 0.00 1.89 2.08 0.00 2.91 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 90 G 8.54 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 0.00 0.00 0.00 91 E 7.87 4.01 0.00 2.06 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 0.00 2.56 2.46 0.00 92 I 7.51 4.49 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.08 1.07 0.00 0.00 93 P 0.00 4.23 0.00 2.01 2.02 0.00 3.72 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 2.01 2.11 0.00 94 G 8.57 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 6.66 4.10 0.00 1.75 1.84 1.12 0.79 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 96 K 8.08 4.68 0.00 1.85 1.84 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.56 7.81 97 K 8.28 4.14 0.00 1.75 1.73 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 98 A 7.94 4.35 0.62 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 99 S 7.84 4.63 0.00 3.91 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 0.00 100 W 7.83 4.66 0.00 3.29 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 * Residues marked with a * may have inaccurate shift predictions.