NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4293 8.3344 117.0979 57.6885 63.3580 172.9214 -1 N 4.2758 7.8646 123.3334 52.6100 40.1548 173.7984 0 A 4.7624 8.7804 124.7473 51.3032 21.4489 175.1008 0 I 4.6124 8.5404 120.8473 59.9032 41.1489 173.7008 3 L 4.6868 8.7169 129.6736 53.7816 44.0076 175.3547 4 V 4.7047 8.6358 126.3204 60.3292 33.2345 172.1689 5 P 5.0776 0.0000 0.0000 62.2327 32.4666 175.8721 6 I 4.6788 9.2278 124.1839 59.5544 41.0738 174.1156 7 D 4.6262 8.8212 126.4796 52.9231 41.4541 175.9928 8 I 4.1552 8.2932 119.6187 61.7339 38.4372 177.1031 9 S 4.1841 8.5654 118.2668 59.5776 62.7902 173.8587 10 D 5.1767 7.9158 129.5940 54.2316 43.3077 176.0948 *15 E 4.2666 8.1224 126.0590 56.0049 31.4229 177.8128 16 R 4.0344 7.8417 119.0983 58.6566 30.5758 178.0762 17 I 3.9592 7.7576 111.5043 63.2311 37.5544 178.0847 18 I 3.3941 7.4094 122.2130 64.4080 36.8452 178.3322 19 S 4.0990 7.9760 114.4893 61.7607 62.7017 176.0993 20 H 4.1560 7.7359 116.8001 58.5735 28.4014 177.9123 21 V 3.6518 8.3078 120.4069 66.0350 31.4182 177.8948 22 E 4.0549 8.5531 118.4153 59.6324 28.9622 179.6031 23 S 4.1375 8.3069 115.2072 61.6436 62.6892 176.6094 24 E 3.9754 8.2418 119.9510 59.3996 29.5386 178.9455 25 A 4.1228 8.3424 121.0791 55.3268 18.3358 179.9507 26 R 3.9335 8.1704 116.4234 59.0051 29.7959 179.0416 27 I 3.8613 7.1259 118.9337 63.9714 37.2813 176.4756 28 D 4.7138 7.5173 113.4626 52.7728 42.8758 174.9828 29 D 4.3015 7.7703 116.3012 55.2101 39.8568 173.0993 30 A 4.3667 7.8743 120.1247 51.8858 19.8249 178.8108 31 E 4.2069 8.8047 119.5498 56.3252 30.4162 176.6318 32 V 4.1152 8.7877 124.9269 61.4648 33.3970 174.6935 33 H 4.7043 8.3590 126.0107 54.2058 30.2513 173.9303 34 F 4.9336 8.8430 123.9027 56.6592 40.6130 174.9144 35 L 5.3363 9.0021 124.5154 53.5461 45.2812 174.8630 36 T 5.1281 8.9351 120.0758 59.2892 70.6623 172.4233 37 V 4.7682 8.3266 127.3613 61.1368 33.8658 174.8063 38 I 4.2403 9.1573 130.5888 59.7787 37.7973 173.8547 39 P 5.3986 0.0000 0.0000 63.1971 31.8997 177.4738 40 S 4.3202 8.6669 120.7887 58.6690 64.0661 173.6265 41 L 3.6162 8.1925 113.8996 56.9637 38.0962 170.3332 *57 G 3.8797 7.2754 111.4451 45.8502 0.0000 173.2643 *59 D 4.5109 8.5742 117.4057 54.4512 43.2195 177.4138 60 E 3.9163 8.1482 118.7118 59.2710 29.6073 178.6126 61 L 3.9717 8.0821 119.1507 57.7402 41.6032 179.4335 62 R 3.8642 7.9511 118.0514 59.4154 30.0846 177.8734 63 E 3.9962 8.3299 119.1199 59.4251 29.6755 179.1153 64 G 3.6050 8.2424 105.6883 47.8149 0.0000 175.9218 65 S 4.1580 8.4527 117.8860 61.3902 62.8713 176.3361 66 E 3.9284 8.5534 122.4360 59.4327 29.3298 179.1274 67 T 3.7632 7.8225 115.8025 66.7271 68.5567 176.7729 68 Q 3.9702 8.0576 119.9639 58.7654 28.7032 178.6419 69 L 3.9340 8.0275 121.3893 58.1924 41.9240 179.2925 70 K 3.4008 7.5940 117.2514 58.8506 31.9909 178.5091 71 E 4.0173 8.0930 119.7392 59.5591 29.5509 179.0888 72 I 3.7308 7.7195 119.3415 64.3940 37.2041 178.3565 73 A 3.6742 7.9993 121.3483 54.6672 17.8673 179.5593 74 K 4.0927 7.6784 116.0446 58.9201 32.1401 178.7310 75 K 4.1939 8.1749 117.4546 56.5718 32.4407 176.5561 76 F 4.7866 7.9400 118.8299 55.9157 40.2924 176.5574 77 S 4.5884 10.0076 122.5011 56.9922 60.6910 172.5472 78 I 4.7881 7.6489 123.7342 57.9750 41.3181 173.7452 79 P 4.4242 0.0000 0.0000 62.4833 31.9909 177.0510 80 E 3.9770 9.1521 122.7443 59.9542 29.3775 178.4313 81 D 4.6326 8.1072 112.9626 53.9655 39.7984 176.6135 82 R 4.6687 7.9047 118.1653 55.9462 30.6426 174.8479 *84 H 4.5934 7.6599 114.3430 55.5980 31.0558 174.0417 85 F 5.3720 8.6277 119.2256 56.0921 41.9787 174.3368 86 H 5.0763 9.6310 119.8254 53.9730 32.8640 172.5581 87 V 4.9929 8.6089 121.0502 61.1517 33.9881 174.2275 88 A 4.9473 9.1742 128.6845 50.0211 22.9413 173.9462 89 E 4.8953 9.0092 119.0672 54.4691 32.3126 174.3721 90 G 3.8816 8.7503 112.8981 44.6124 0.0000 174.1124 91 S 4.4517 8.7608 119.7125 57.1211 63.2731 172.5634 92 P 4.2577 0.0000 0.0000 65.6786 31.2428 178.6450 93 K 3.9599 7.9789 116.8508 60.1525 32.4576 178.5863 94 D 4.3444 7.9656 120.0220 57.1018 40.7337 179.0880 95 K 4.0093 8.3934 119.1167 59.1746 31.9560 179.5997 96 I 3.6862 8.1061 120.6276 64.4100 37.0598 178.4960 97 L 3.9484 8.0473 119.5627 57.5867 41.4453 179.3786 98 A 3.9568 8.1828 120.9249 55.1798 18.3485 179.5158 99 L 3.9273 8.3714 120.0219 57.5920 42.1585 178.9131 100 A 3.9348 8.2565 121.1263 54.9547 18.0198 179.6037 101 K 3.9053 7.8733 117.6801 59.6010 32.1755 178.9584 102 S 4.2915 8.1981 114.3185 60.7044 62.9029 176.1643 103 L 3.8661 7.7058 122.5387 56.3367 41.8132 175.9030 104 P 4.5762 0.0000 0.0000 61.8099 32.5063 175.4999 105 A 4.2140 8.4875 123.9141 52.1266 19.0326 177.7724 106 D 4.5828 8.4941 120.9933 55.8193 41.8497 176.6452 107 L 4.7410 7.4539 120.0768 53.6914 45.8953 173.9810 108 V 4.7665 8.5955 125.8501 61.2276 33.8766 174.1263 109 I 4.9749 8.4125 128.6045 59.5644 39.2915 175.0035 110 I 4.7174 8.6198 126.1987 59.1001 41.6553 174.0965 111 A 4.6232 8.7126 130.7371 51.9321 18.7101 177.6374 112 S 4.3632 8.7877 116.0758 61.7100 64.1786 173.7780 113 H 4.7777 7.5666 112.6556 54.1575 30.8926 173.1121 114 R 4.0918 8.4709 118.7492 55.6870 30.2731 176.4828 115 P 4.3204 0.0000 0.0000 65.4867 31.3060 176.6456 116 D 4.7972 8.0527 115.9797 52.6946 39.5789 175.6904 117 I 4.5418 7.8830 120.5904 60.3512 38.4230 175.2228 118 T 4.3687 8.2752 114.0123 61.4227 70.0852 176.0894 119 T 3.8377 7.8804 118.8857 65.9531 68.5181 173.7235 120 Y 4.7959 6.8656 117.4656 55.8977 40.0464 175.9878 121 L 4.2474 8.8048 124.8837 56.6349 42.2004 177.3425 122 L 4.9491 7.7689 117.1757 52.5505 44.3975 176.5684 123 G 3.9592 9.2472 112.6207 44.8587 0.0000 175.0455 124 S 4.0520 8.5029 114.7578 61.6824 62.7076 176.8530 125 N 4.3479 8.0995 118.4719 56.1461 38.2805 177.2093 126 A 3.9683 7.9802 121.5265 55.0999 18.6719 179.3986 127 A 3.9246 8.1751 119.0872 55.2452 18.3756 179.7889 128 A 4.0060 8.1302 119.3602 55.1676 18.4405 180.1045 129 V 3.5318 8.0358 117.1512 66.0113 31.4327 178.4465 130 V 3.6008 7.8424 118.0824 65.1059 31.1126 178.0339 131 R 3.9727 7.7725 117.9633 58.5714 30.0863 177.2090 132 H 4.6614 8.2339 113.2345 54.9357 30.0150 175.3851 133 A 4.1428 7.4675 124.1026 52.3587 18.6536 177.4932 134 E 4.2049 8.6753 119.7509 57.3632 30.0969 175.6785 135 C 4.9313 7.4620 112.8762 55.7528 32.9893 173.6315 136 S 4.3688 8.4947 114.0162 58.9383 63.6672 173.9324 137 V 4.8435 8.1394 121.4451 61.1097 34.6273 174.1124 138 L 4.5653 9.2065 130.2139 53.5178 43.7866 174.9104 139 V 4.6794 8.3603 126.8496 61.5931 32.8842 174.8187 140 V 4.2252 8.7649 128.7773 61.3678 33.4425 176.1228 141 R 4.1903 8.2402 125.3104 56.5014 31.0156 174.9573 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 8.33 4.43 0.00 3.65 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 -1 N 7.86 4.28 0.00 2.73 2.74 0.00 0.00 7.27 7.08 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 A 8.78 4.76 1.25 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 0.00 0.00 0.00 0 I 8.54 4.61 1.87 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 1.36 1.54 0.91 0.00 0.00 3 L 8.72 4.69 0.00 1.65 1.46 0.86 0.55 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 4 V 8.64 4.70 1.68 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 0.99 0.00 0.00 0.62 0.00 0.00 5 P 0.00 5.08 0.00 2.01 1.98 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 6 I 9.23 4.68 1.97 0.00 0.00 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 1.51 1.71 0.99 0.00 0.00 7 D 8.82 4.63 0.00 2.66 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 8 I 8.29 4.16 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 1.44 0.74 0.94 0.00 0.00 9 S 8.57 4.18 0.00 3.94 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 10 D 7.92 5.18 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 *15 E 8.12 4.27 0.00 2.07 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 0.00 2.28 2.29 0.00 16 R 7.84 4.03 0.00 1.90 1.94 0.00 3.26 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 17 I 7.76 3.96 2.01 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.98 0.00 0.00 18 I 7.41 3.39 1.75 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.09 0.53 0.00 0.00 19 S 7.98 4.10 0.00 3.99 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 20 H 7.74 4.16 0.00 3.53 3.44 0.00 5.82 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 21 V 8.31 3.65 2.53 0.00 0.00 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 1.16 0.00 0.00 22 E 8.55 4.05 0.00 2.24 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 2.62 2.65 0.00 23 S 8.31 4.14 0.00 3.86 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 24 E 8.24 3.98 0.00 1.94 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 2.50 0.00 25 A 8.34 4.12 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 26 R 8.17 3.93 0.00 2.12 2.00 0.00 3.17 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 27 I 7.13 3.86 1.99 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 1.52 0.67 0.91 0.00 0.00 28 D 7.52 4.71 0.00 2.60 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 29 D 7.77 4.30 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 30 A 7.87 4.37 1.24 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 0.00 0.00 0.00 31 E 8.80 4.21 0.00 1.88 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 2.43 2.25 0.00 32 V 8.79 4.12 1.72 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 -0.16 0.00 0.00 0.84 0.00 0.00 33 H 8.36 4.70 0.00 3.07 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.84 4.93 0.00 2.84 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 35 L 9.00 5.34 0.00 1.75 1.48 1.00 0.39 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 36 T 8.94 5.13 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 1.26 0.00 0.00 37 V 8.33 4.77 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 0.93 0.00 0.00 0.95 0.00 0.00 38 I 9.16 4.24 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 1.30 0.39 0.92 0.00 0.00 39 P 0.00 5.40 0.00 2.07 2.06 0.00 3.38 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 40 S 8.67 4.32 0.00 3.65 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 L 8.19 3.62 0.00 1.81 1.60 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 G 7.28 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 *59 D 8.57 4.51 0.00 2.75 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 60 E 8.15 3.92 0.00 2.03 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 2.37 2.39 0.00 61 L 8.08 3.97 0.00 1.73 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.95 3.86 0.00 1.88 2.11 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 63 E 8.33 4.00 0.00 2.13 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 0.00 2.29 2.32 0.00 64 G 8.24 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 65 S 8.45 4.16 0.00 4.01 3.94 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 66 E 8.55 3.93 0.00 2.12 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 2.37 0.00 67 T 7.82 3.76 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 1.15 0.00 0.00 68 Q 8.06 3.97 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 69 L 8.03 3.93 0.00 1.91 1.81 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.59 3.40 0.00 1.58 1.44 0.00 1.44 0.00 0.00 1.17 0.00 0.00 2.41 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.81 7.81 71 E 8.09 4.02 0.00 1.98 2.12 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 2.29 2.34 0.00 72 I 7.72 3.73 2.00 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 1.49 0.87 1.07 0.00 0.00 73 A 8.00 3.67 1.02 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 74 K 7.68 4.09 0.00 1.86 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.67 7.81 75 K 8.17 4.19 0.00 1.76 1.69 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.49 7.81 76 F 7.94 4.79 0.00 3.25 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 77 S 10.01 4.59 0.00 3.73 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 78 I 7.65 4.79 2.02 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 1.50 0.97 0.94 0.00 0.00 79 P 0.00 4.42 0.00 2.28 1.98 0.00 3.64 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 2.13 0.00 80 E 9.15 3.98 0.00 1.97 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 2.36 2.31 0.00 81 D 8.11 4.63 0.00 2.77 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 82 R 7.90 4.67 0.00 1.92 2.00 0.00 3.44 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.91 0.00 *84 H 7.66 4.59 0.00 2.78 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.63 5.37 0.00 2.94 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 86 H 9.63 5.08 0.00 3.14 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.61 4.99 2.12 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 0.82 0.00 0.00 0.98 0.00 0.00 88 A 9.17 4.95 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 89 E 9.01 4.90 0.00 1.95 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 2.34 2.28 0.00 90 G 8.75 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 91 S 8.76 4.45 0.00 3.89 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 92 P 0.00 4.26 0.00 2.37 2.11 0.00 3.65 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 93 K 7.98 3.96 0.00 1.97 2.24 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 94 D 7.97 4.34 0.00 2.90 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 95 K 8.39 4.01 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.61 1.62 7.81 96 I 8.11 3.69 1.99 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 1.53 0.82 0.90 0.00 0.00 97 L 8.05 3.95 0.00 1.82 1.70 0.91 0.62 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 98 A 8.18 3.96 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 99 L 8.37 3.93 0.00 1.78 1.60 0.78 0.40 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 0.00 100 A 8.26 3.93 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 0.00 101 K 7.87 3.91 0.00 1.87 1.96 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.41 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 102 S 8.20 4.29 0.00 4.07 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 0.00 103 L 7.71 3.87 0.00 1.60 1.63 0.64 0.65 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 0.00 104 P 0.00 4.58 0.00 2.14 2.13 0.00 3.72 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 1.94 1.93 0.00 105 A 8.49 4.21 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 0.00 106 D 8.49 4.58 0.00 2.65 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 0.00 107 L 7.45 4.74 0.00 1.70 1.41 0.97 0.84 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 0.00 108 V 8.60 4.77 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 0.95 0.00 0.00 0.90 0.00 0.00 109 I 8.41 4.97 1.87 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 1.11 0.75 0.95 0.00 0.00 110 I 8.62 4.72 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 1.18 1.54 0.97 0.00 0.00 111 A 8.71 4.62 1.25 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 0.00 0.00 0.00 112 S 8.79 4.36 0.00 4.10 4.11 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 0.00 113 H 7.57 4.78 0.00 3.25 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.47 4.09 0.00 1.96 2.12 0.00 3.17 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 115 P 0.00 4.32 0.00 2.20 2.22 0.00 3.80 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 2.02 1.99 0.00 116 D 8.05 4.80 0.00 2.82 2.81 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 0.00 117 I 7.88 4.54 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.99 0.00 0.00 118 T 8.28 4.37 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 1.22 0.00 0.00 119 T 7.88 3.84 3.19 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 0.57 0.00 0.00 120 Y 6.87 4.80 0.00 2.96 2.94 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 0.00 121 L 8.80 4.25 0.00 1.69 1.78 0.94 0.98 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 0.00 122 L 7.77 4.95 0.00 1.63 1.57 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 123 G 9.25 3.96 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 0.00 0.00 0.00 124 S 8.50 4.05 0.00 3.81 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 0.00 125 N 8.10 4.35 0.00 2.73 2.87 0.00 0.00 6.97 7.10 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 0.00 126 A 7.98 3.97 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 0.00 127 A 8.18 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.01 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 0.00 129 V 8.04 3.53 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 1.04 0.00 0.00 0.95 0.00 0.00 130 V 7.84 3.60 2.17 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 0.83 0.00 0.00 0.92 0.00 0.00 131 R 7.77 3.97 0.00 1.82 1.91 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.54 0.00 132 H 8.23 4.66 0.00 3.29 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.47 4.14 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 0.00 134 E 8.68 4.20 0.00 1.96 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 2.29 2.29 0.00 135 C 7.46 4.93 0.00 3.07 2.98 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 0.00 136 S 8.49 4.37 0.00 3.79 3.82 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 0.00 137 V 8.14 4.84 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 0.82 0.00 0.00 1.00 0.00 0.00 138 L 9.21 4.57 0.00 1.74 1.50 0.91 0.77 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 0.00 139 V 8.36 4.68 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 0.81 0.00 0.00 0.93 0.00 0.00 140 V 8.76 4.23 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 0.85 0.00 0.00 0.84 0.00 0.00 141 R 8.24 4.19 0.00 1.76 1.73 0.00 3.29 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.