NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7776 8.2133 109.7390 45.1648 0.0000 170.6505 *2 L 4.2863 7.6841 122.5866 55.2468 44.0748 175.0271 3 Y 4.8775 9.0664 122.6348 57.0326 39.4317 174.5954 4 H 5.3606 9.3963 127.0604 54.8631 31.2817 173.2875 5 L 4.8893 8.7109 129.2887 53.2466 44.2764 175.5097 6 V 5.0286 7.7241 125.2438 59.8194 35.5529 173.7722 *8 L 4.3426 8.1496 120.8446 54.8622 43.3722 176.4727 9 E 4.5308 9.0722 123.4428 53.7129 29.4502 172.7730 10 P 4.7824 0.0000 0.0000 62.5851 32.5354 175.1691 11 E 4.4352 9.5342 124.7691 56.1630 32.1309 174.9681 12 G 3.8686 9.0376 112.4826 44.1950 0.0000 171.6615 13 E 3.9851 8.4059 120.2309 57.0263 30.1933 176.8337 14 G 3.8763 9.0073 113.8475 45.4462 0.0000 174.5186 15 A 3.9091 7.6231 119.3724 53.5531 18.0217 179.2628 *17 D 4.5207 8.1109 118.7155 55.5255 42.8818 177.5541 18 R 4.0790 7.7946 117.5852 59.1941 30.1775 179.1652 19 I 3.7459 7.4222 116.3893 61.8383 36.7257 176.8952 *21 E 4.3476 8.3826 121.7866 56.5939 31.2695 178.9607 22 A 4.3344 7.6881 120.7623 52.1934 17.9492 179.2114 *24 A 4.3322 8.1522 124.5394 53.9611 21.0120 180.1388 25 I 3.6310 7.6723 116.0729 64.7106 37.1660 178.7223 26 L 3.7562 7.8317 119.6036 57.5486 41.0566 179.1801 27 D 4.6093 8.1489 117.8440 57.6253 40.9354 178.8777 28 G 3.6873 7.8652 104.5533 47.2259 0.0000 175.1932 29 L 4.0749 7.7877 122.2652 57.5004 42.1699 178.3338 30 A 3.9000 7.8338 120.8858 55.0761 18.0925 177.9108 31 P 4.2683 0.0000 0.0000 65.2440 31.4466 177.6707 32 E 4.5871 8.0825 115.3203 55.6833 30.0470 176.0759 33 L 4.6424 7.6434 120.7325 52.1051 42.2412 175.3622 34 P 4.3411 0.0000 0.0000 65.0804 31.7554 177.9321 35 G 3.7623 8.1393 106.7195 46.5661 0.0000 172.5852 36 L 4.5422 7.4728 122.7371 54.2892 40.5533 176.1185 37 T 4.2191 8.4666 116.1624 63.2344 70.0057 174.8217 38 E 4.6486 7.5635 122.5189 54.8510 33.3492 173.4163 39 F 5.2488 8.7243 128.0935 56.7128 42.0620 173.7197 40 R 4.5487 8.4772 124.7328 54.8219 34.3508 174.0759 41 H 4.9137 7.3940 114.4597 54.8333 31.5112 172.8231 42 G 3.7798 7.4200 106.3193 45.2478 0.0000 170.4477 43 P 4.7729 0.0000 0.0000 62.5537 32.3023 176.3433 44 N 4.4951 8.6795 121.6385 52.5275 38.1541 175.3279 45 R 3.5706 8.3024 125.9080 57.3606 30.7978 176.8780 46 D 4.1990 7.8239 114.8250 55.2817 39.4961 174.0110 47 F 4.2903 7.7516 119.8467 60.0685 39.6484 176.5416 48 E 4.3669 8.2933 117.1490 55.6611 29.7248 175.7200 49 Q 3.7881 7.5604 116.3581 56.4511 26.7382 174.2940 50 K 4.6270 8.3273 112.7712 56.0580 33.1993 177.8488 51 S 4.6857 7.7702 113.5988 56.5876 63.1885 176.9792 52 E 3.9330 8.4860 122.5488 60.4361 29.7635 178.6035 53 R 3.7323 7.8028 117.9611 58.9671 28.8397 175.6613 54 Y 5.3394 7.7889 116.7631 54.7253 37.3444 174.0451 55 P 4.4052 0.0000 0.0000 64.6738 32.7334 175.5224 56 Y 5.0751 7.6471 120.9096 56.6254 42.4605 173.7602 57 G 4.2904 8.0542 110.4439 46.0994 0.0000 171.5132 58 F 5.4024 8.6395 113.6222 55.4231 41.7994 173.1091 59 L 5.1397 9.2034 122.0810 53.5084 45.1497 174.7157 60 C 5.1084 9.1656 123.6877 58.2325 31.3260 172.8748 61 T 4.5386 8.2619 120.9195 62.1384 69.6405 173.7966 62 F 5.3218 8.8743 125.7462 55.8468 41.0441 176.2722 63 T 4.2324 9.0574 119.9103 66.7916 69.2217 173.7393 64 D 4.7659 7.7011 118.0015 51.9802 41.8778 176.1234 65 K 3.8685 8.5027 119.0213 59.5305 31.9602 178.2592 66 A 3.9313 8.0167 120.5042 54.9226 18.4373 179.3459 67 A 3.9596 8.3191 119.3246 55.2713 18.4514 179.5597 68 L 2.4400 7.3931 118.6627 57.8650 42.0094 179.0029 69 D 4.2406 8.2250 118.7880 57.1143 40.4886 178.5621 70 A 4.0141 7.8108 120.5938 55.1536 18.5873 178.7909 71 Y 4.1544 7.9673 117.4543 60.7575 38.7167 177.6870 72 A 3.7939 7.8748 121.6385 55.5406 18.3687 179.2436 73 V 3.7986 7.6007 105.9585 62.9233 32.2195 177.0449 74 H 4.1240 7.9552 121.4104 55.3213 30.6887 173.9965 75 P 4.2767 0.0000 0.0000 66.2746 31.0599 178.7188 76 T 3.9369 8.0319 115.3183 66.5312 68.4178 176.0881 77 H 3.9965 8.0861 119.7647 59.3069 29.8122 177.1783 78 Q 3.6864 7.9161 119.8470 58.6627 28.2633 178.5675 79 R 3.8035 7.6756 118.5539 59.5289 30.1946 178.0859 80 A 4.1933 7.5571 118.5006 55.1603 18.6823 179.4960 81 G 3.8650 8.7717 104.9024 47.5772 0.0000 176.7072 82 G 3.5993 8.2141 107.4769 44.5606 0.0000 175.6945 *84 L 4.2576 7.8904 121.2736 54.5734 44.0313 179.2627 85 V 3.5973 7.8694 117.3989 66.3416 31.1604 177.8194 86 A 4.2039 7.8899 117.5377 53.9728 18.5772 178.5675 87 S 4.5217 8.0773 112.8114 58.0064 63.7278 173.5042 88 C 5.1517 7.1827 119.2947 57.1964 30.4820 173.1172 89 R 4.1299 8.5316 122.4580 57.8863 29.7363 175.9871 90 N 4.2534 9.8465 122.0436 54.3044 37.6875 175.7782 91 G 3.9774 7.6061 110.7314 46.5490 0.0000 178.5033 92 A 4.2108 8.6293 128.6077 53.9711 18.4316 179.4626 93 D 4.4281 8.2813 115.0915 56.7560 41.0979 177.3235 94 G 4.1510 8.1020 107.3025 45.0756 0.0000 172.5439 95 I 4.8335 7.5284 120.2264 59.0996 40.5024 174.5988 96 L 4.4727 8.3787 129.1638 53.6593 43.8435 175.0746 97 V 4.6470 8.2466 125.3559 61.2369 33.8932 174.4631 98 V 4.2945 8.6282 128.4479 61.6302 33.9207 174.3240 99 D 5.3263 8.4387 125.4073 52.2141 41.7458 173.4863 100 L 4.1361 8.9288 122.3729 54.3052 43.1166 175.3755 101 E 4.5893 8.7960 125.7921 55.0678 30.3375 176.3269 102 V 3.9165 8.1471 119.6594 61.4743 32.2472 175.7037 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 0 G 8.21 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.29 0.00 1.87 1.84 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.07 4.88 0.00 2.82 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 4 H 9.40 5.36 0.00 3.47 3.58 0.00 5.73 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.71 4.89 0.00 1.78 1.40 0.92 0.93 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 6 V 7.72 5.03 0.67 0.00 0.00 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 0.53 0.00 0.00 *8 L 8.15 4.34 0.00 1.86 1.75 1.25 0.97 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 9 E 9.07 4.53 0.00 2.08 1.90 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 2.33 2.51 0.00 10 P 0.00 4.78 0.00 1.95 2.00 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 11 E 9.53 4.44 0.00 1.88 1.73 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 2.21 2.29 0.00 12 G 9.04 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 13 E 8.41 3.99 0.00 1.92 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 2.28 2.36 0.00 14 G 9.01 3.88 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 0.00 0.00 0.00 15 A 7.62 3.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.52 0.00 2.87 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 18 R 7.79 4.08 0.00 2.02 1.96 0.00 3.28 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 19 I 7.42 3.75 1.73 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 0.60 0.74 0.00 0.00 *21 E 8.38 4.35 0.00 2.24 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 2.28 2.54 0.00 22 A 7.69 4.33 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 *24 A 8.15 4.33 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 25 I 7.67 3.63 1.99 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 1.49 1.23 0.85 0.00 0.00 26 L 7.83 3.76 0.00 1.33 0.66 0.63 0.79 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 27 D 8.15 4.61 0.00 2.88 2.83 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 28 G 7.87 3.69 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 0.00 0.00 0.00 29 L 7.79 4.07 0.00 1.79 1.67 0.60 0.76 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 30 A 7.83 3.90 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 31 P 0.00 4.27 0.00 2.03 2.14 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 32 E 8.08 4.59 0.00 1.92 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 2.47 0.00 33 L 7.64 4.64 0.00 1.88 1.70 1.13 0.80 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 34 P 0.00 4.34 0.00 2.20 2.20 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 35 G 8.14 3.76 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 0.00 0.00 0.00 36 L 7.47 4.54 0.00 1.71 1.71 0.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.47 4.22 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 1.21 0.00 0.00 38 E 7.56 4.65 0.00 1.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 39 F 8.72 5.25 0.00 2.82 2.85 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 40 R 8.48 4.55 0.00 1.51 1.54 0.00 3.21 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.55 0.00 41 H 7.39 4.91 0.00 3.20 3.03 0.00 5.80 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.42 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.77 0.00 2.09 2.19 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 44 N 8.68 4.50 0.00 2.62 2.90 0.00 0.00 7.19 7.48 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 45 R 8.30 3.57 0.00 0.68 0.74 0.00 3.41 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 46 D 7.82 4.20 0.00 2.91 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 47 F 7.75 4.29 0.00 3.09 3.03 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 48 E 8.29 4.37 0.00 2.00 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 2.33 2.41 0.00 49 Q 7.56 3.79 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 50 K 8.33 4.63 0.00 1.74 1.81 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.49 7.81 51 S 7.77 4.69 0.00 4.23 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 0.00 52 E 8.49 3.93 0.00 1.93 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 2.30 2.22 0.00 53 R 7.80 3.73 0.00 1.39 1.03 0.00 2.91 0.00 0.00 2.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.37 0.00 54 Y 7.79 5.34 0.00 3.04 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 55 P 0.00 4.41 0.00 2.20 2.34 0.00 4.00 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.01 0.00 56 Y 7.65 5.08 0.00 3.11 2.85 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 57 G 8.05 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 58 F 8.64 5.40 0.00 3.12 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 59 L 9.20 5.14 0.00 1.61 1.39 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 60 C 9.17 5.11 0.00 2.54 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 0.00 0.00 0.00 61 T 8.26 4.54 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 0.99 0.00 0.00 62 F 8.87 5.32 0.00 2.90 3.03 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 63 T 9.06 4.23 4.31 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 1.25 0.00 0.00 64 D 7.70 4.77 0.00 2.86 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 65 K 8.50 3.87 0.00 1.88 1.84 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 66 A 8.02 3.93 1.32 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 67 A 8.32 3.96 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 68 L 7.39 2.44 0.00 1.00 1.47 0.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.23 4.24 0.00 2.84 2.66 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 70 A 7.81 4.01 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 71 Y 7.97 4.15 0.00 3.29 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 72 A 7.87 3.79 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 73 V 7.60 3.80 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 0.72 0.00 0.00 0.99 0.00 0.00 74 H 7.96 4.12 0.00 3.35 3.12 0.00 5.59 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 75 P 0.00 4.28 0.00 2.27 2.26 0.00 3.39 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 76 T 8.03 3.94 4.22 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 0.00 0.00 1.17 0.00 0.00 77 H 8.09 4.00 0.00 2.74 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.92 3.69 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 79 R 7.68 3.80 0.00 1.88 2.08 0.00 3.24 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 1.61 1.63 0.00 80 A 7.56 4.19 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 81 G 8.77 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 82 G 8.21 3.60 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 0.00 0.00 0.00 *84 L 7.89 4.26 0.00 2.00 1.89 1.23 0.92 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 85 V 7.87 3.60 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 1.06 0.00 0.00 1.00 0.00 0.00 86 A 7.89 4.20 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 87 S 8.08 4.52 0.00 4.06 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 88 C 7.18 5.15 0.00 3.18 3.03 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 89 R 8.53 4.13 0.00 1.77 1.87 0.00 3.40 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 90 N 9.85 4.25 0.00 2.91 2.88 0.00 0.00 7.19 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 91 G 7.61 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 4.21 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 93 D 8.28 4.43 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 I 7.53 4.83 2.02 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 1.19 0.78 0.92 0.00 0.00 96 L 8.38 4.47 0.00 1.54 0.96 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.25 4.65 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 0.91 0.00 0.00 98 V 8.63 4.29 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 0.98 0.00 0.00 0.87 0.00 0.00 99 D 8.44 5.33 0.00 2.59 2.62 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 0.00 100 L 8.93 4.14 0.00 1.62 1.54 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.80 4.59 0.00 1.98 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 0.00 2.24 2.34 0.00 102 V 8.15 3.92 1.77 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 0.45 0.00 0.00 0.45 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.