NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6172 8.4449 120.3915 55.8979 31.8494 173.0309 *2 N 4.3912 7.8377 115.2878 54.7666 39.7604 173.5243 3 G 3.8774 8.9299 105.5572 43.9691 0.0000 171.9017 4 A 5.0287 9.0263 119.1516 50.5157 22.6796 177.8616 5 R 4.2755 9.4896 118.2316 57.5119 31.7491 176.8525 6 K 5.0673 8.1484 118.5932 54.2028 35.5958 175.4853 7 W 5.2117 8.8311 123.8259 54.8528 33.0770 174.8634 8 F 5.0714 9.1538 121.0535 55.8996 42.8425 174.1362 9 F 4.6232 9.4924 121.4571 55.1697 41.1430 173.8888 10 P 4.2936 0.0000 0.0000 64.2973 31.4288 176.5334 11 D 4.6361 8.0347 118.3976 52.5423 40.4518 174.9433 12 G 3.4786 8.3154 111.7077 43.8233 0.0000 169.1585 13 Y 4.6629 8.2420 119.6776 56.7685 43.5323 172.6384 14 I 4.4917 7.7975 127.9870 59.0182 38.5561 173.8595 15 P 4.6245 0.0000 0.0000 62.5607 31.8144 176.4349 16 N 4.7530 8.5017 116.1665 52.5924 38.3752 175.5361 17 G 4.3342 7.7408 107.3091 46.1695 0.0000 172.8265 18 K 5.1274 8.5678 120.9254 54.4879 36.8131 175.4352 19 R 4.5234 9.0854 123.3422 53.9955 31.6360 176.7904 20 G 3.7086 8.5989 118.5196 46.8387 0.0000 173.6213 21 Y 4.4815 8.6617 122.8851 58.0371 38.5229 174.8216 22 L 4.4367 8.0424 123.8503 53.9182 43.0419 175.6505 23 V 4.7225 7.9881 124.3832 59.3954 34.0309 175.5217 24 S 4.4692 8.4023 118.7608 59.5414 63.5956 173.0233 25 H 4.6565 8.3759 117.3513 55.4488 32.3708 172.0850 26 E 5.1718 8.5668 116.6565 54.6487 33.6266 175.3513 27 S 5.0446 9.1365 119.5902 56.7239 66.0136 173.0888 28 L 4.1854 8.8911 128.7870 54.0698 42.6444 174.8054 29 C 4.8156 8.6765 125.5277 58.8188 29.4562 173.4357 30 I 4.9310 8.4618 123.9415 58.2187 41.5227 173.4543 *32 N 4.6996 8.6419 120.8269 54.3543 39.0074 174.4621 33 T 4.2538 8.6297 115.8121 61.5377 69.5981 175.0825 34 G 3.9130 8.1390 112.4418 45.1007 0.0000 173.1824 35 D 4.6714 8.4401 116.7697 53.1816 40.1395 175.6803 36 E 4.7703 7.6507 120.5956 54.2747 32.4266 175.4651 37 T 4.1695 8.6403 122.3033 64.1131 69.4220 173.2691 38 A 4.6202 9.1136 128.7189 51.0019 20.6648 176.0843 39 K 4.7184 10.0269 123.6218 54.9760 34.1796 175.5722 40 I 4.7558 8.8373 126.8570 59.3853 40.3079 174.5983 41 R 4.8820 9.0276 128.0218 54.9004 31.9542 174.7378 42 I 4.5193 9.0283 128.3851 60.0698 39.2386 174.6834 43 T 4.9532 8.2448 124.2865 62.0036 70.8170 173.6365 44 F 4.8135 9.5067 125.7072 55.8425 41.1081 174.7982 45 L 4.9579 8.8204 124.2079 53.1620 44.2424 175.6285 46 F 5.3514 8.5906 119.6310 55.6674 42.3318 175.2857 47 E 4.2898 9.2251 118.9351 59.2348 29.4471 178.0739 48 D 4.9197 8.0818 114.5157 52.9286 40.4060 174.6342 49 S 4.7956 8.0504 113.7472 56.9915 66.6116 173.8293 50 K 4.4363 8.3302 121.1593 55.2803 32.7407 175.3737 51 P 5.5269 0.0000 0.0000 62.5984 32.4151 176.1590 52 V 4.5924 8.6374 120.6717 61.2334 34.8747 174.1271 53 V 5.1193 8.6450 126.8507 61.5681 34.0275 174.0066 54 H 5.1363 9.6139 123.9184 53.9642 32.9029 172.1026 55 E 5.2435 8.6732 119.4290 54.9218 32.6081 174.8396 56 V 4.8027 8.8097 117.9751 59.9573 36.7994 173.5483 57 E 5.2545 8.6574 119.0659 54.7036 32.9483 174.8215 58 I 4.5595 8.4328 121.0395 59.2546 41.0377 175.1071 59 S 4.5378 8.7962 125.1989 56.9722 63.6987 173.0964 60 P 4.4740 0.0000 0.0000 63.0271 28.9712 175.5911 *62 K 4.1633 7.3962 117.7103 56.4210 33.9494 176.4964 63 S 4.9656 8.4554 115.3117 56.7677 65.4652 173.2807 64 L 4.4512 8.8922 126.5143 54.3865 45.1906 174.5710 65 H 4.9852 8.9312 124.9122 54.1787 29.1712 173.6113 66 L 4.2120 8.7073 126.7012 54.2263 43.2668 175.9267 67 R 4.5923 8.5886 126.3469 55.7338 30.2254 177.5777 68 L 4.0899 8.8585 125.8220 56.8229 41.8658 178.1494 69 D 4.5845 8.0496 116.2915 54.0671 39.7033 176.6460 70 K 4.5195 7.6389 119.0619 56.5106 32.3906 176.4914 71 L 4.4191 7.9712 116.3067 54.2946 42.2218 177.4382 72 G 3.8726 8.1824 106.5945 45.2491 0.0000 173.8608 73 I 3.7165 7.1063 120.4893 59.8855 37.6406 174.2413 74 P 4.2438 0.0000 0.0000 62.6826 31.7269 176.5372 75 K 4.1036 8.3664 121.5584 57.1060 32.7919 175.9533 76 C 3.2344 8.3512 115.7331 59.5131 26.1509 173.7798 77 K 4.6201 7.6746 119.1983 53.7175 33.8741 173.5588 78 P 4.9656 0.0000 0.0000 63.5389 32.1092 175.1706 79 Y 4.9997 8.5975 120.6444 56.4168 41.6557 173.2863 80 S 5.1609 9.2794 114.1806 57.2055 67.8646 173.7019 81 I 5.1308 8.9872 122.0466 58.3947 41.3383 173.8845 *83 A 4.4665 8.2941 122.5377 52.3438 20.1286 175.6933 84 E 5.0437 9.1562 121.6806 54.5599 32.7124 175.2135 85 S 5.5644 9.5565 119.6312 55.5851 64.6954 173.7212 86 N 4.6777 8.8753 121.2485 54.8280 37.9167 175.3488 87 V 4.5883 7.5629 110.8422 58.3155 35.6074 173.3766 88 P 4.6074 0.0000 0.0000 63.5545 31.9155 176.0027 89 V 4.5598 9.0133 115.8094 60.3817 37.0699 173.1417 90 V 4.0322 7.6990 119.9461 60.9612 35.7763 173.4640 *92 Q 4.5193 8.3542 121.9441 55.7989 30.6592 173.1338 93 L 4.8819 8.5404 127.0835 53.2504 44.7619 175.1824 94 S 5.0302 8.7566 121.4385 56.6299 67.2978 172.8647 95 R 4.9608 8.5014 122.5008 54.3801 33.4495 173.6109 96 L 4.8394 8.8595 128.4973 53.3743 44.4520 174.3379 97 D 5.1852 8.9167 127.3548 52.7677 43.1004 175.2894 98 V 4.7084 8.7241 119.3206 60.0105 36.1429 175.0525 99 G 4.2175 8.3820 108.4915 45.4383 0.0000 173.9274 100 K 4.0380 8.9352 120.2976 58.9183 32.0810 176.9971 101 N 5.1448 7.9165 114.1724 52.3974 39.7443 173.2588 102 H 4.8150 7.8725 111.8563 55.1752 31.4526 172.2176 103 Y 4.7825 8.2472 120.1752 57.6129 40.6475 173.1960 104 T 4.9119 8.9998 121.4876 60.7234 71.6271 172.2899 105 L 5.9506 8.2590 125.0641 52.1000 45.6934 175.1336 *107 T 4.4076 8.2466 113.4312 63.1039 68.4641 172.6476 108 T 4.6727 8.2233 117.1196 60.9018 71.2295 172.6750 109 I 4.4179 8.7140 127.9362 61.2258 39.1011 175.5700 110 G 3.7244 9.0568 114.9088 45.2518 0.0000 172.0485 111 Y 4.5405 8.3396 121.1463 56.5722 39.9336 174.2924 112 W 4.5250 6.4205 121.5965 54.4026 31.4678 173.9638 113 E 4.2495 8.3746 120.6857 55.8123 33.2119 172.5683 114 E 4.1299 8.9606 126.3575 55.2100 26.1628 175.0086 115 G 4.2040 7.9464 109.2355 46.2368 0.0000 170.6616 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 H 8.44 4.62 0.00 3.08 3.42 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 N 7.84 4.39 0.00 2.73 2.74 0.00 0.00 7.20 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 3 G 8.93 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 4 A 9.03 5.03 0.94 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 0.00 0.00 5 R 9.49 4.28 0.00 1.77 2.16 0.00 3.09 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 6 K 8.15 5.07 0.00 1.86 1.52 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 W 8.83 5.21 0.00 3.12 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 8 F 9.15 5.07 0.00 2.98 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 9 F 9.49 4.62 0.00 3.00 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 10 P 0.00 4.29 0.00 2.06 2.12 0.00 3.80 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 2.01 2.05 0.00 11 D 8.03 4.64 0.00 2.69 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 12 G 8.32 3.48 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 0.00 0.00 0.00 13 Y 8.24 4.66 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 14 I 7.80 4.49 1.81 0.00 0.00 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 1.60 0.84 0.89 0.00 0.00 15 P 0.00 4.62 0.00 2.09 2.13 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.36 0.00 16 N 8.50 4.75 0.00 2.80 2.89 0.00 0.00 6.03 7.00 0.00 0.00 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 G 7.74 4.33 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 0.00 18 K 8.57 5.13 0.00 1.62 1.65 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.33 7.81 19 R 9.09 4.52 0.00 1.76 1.77 0.00 3.36 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 20 G 8.60 3.71 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 0.00 0.00 0.00 21 Y 8.66 4.48 0.00 3.03 2.95 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 22 L 8.04 4.44 0.00 1.82 1.77 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.99 4.72 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 0.85 0.00 0.00 0.94 0.00 0.00 24 S 8.40 4.47 0.00 3.96 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 25 H 8.38 4.66 0.00 3.35 3.48 0.00 5.40 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.57 5.17 0.00 2.01 1.88 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 2.31 2.47 0.00 27 S 9.14 5.04 0.00 3.70 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 28 L 8.89 4.19 0.00 1.65 1.50 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.68 4.82 0.00 2.74 2.55 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 0.00 0.00 0.00 0.00 30 I 8.46 4.93 1.79 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 0.95 1.75 0.80 0.00 0.00 *32 N 8.64 4.70 0.00 2.71 2.91 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 33 T 8.63 4.25 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 1.17 0.00 0.00 34 G 8.14 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 35 D 8.44 4.67 0.00 2.78 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 36 E 7.65 4.77 0.00 1.96 1.83 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 2.17 2.30 0.00 37 T 8.64 4.17 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 1.28 0.00 0.00 38 A 9.11 4.62 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 39 K 10.03 4.72 0.00 1.64 1.76 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.55 7.81 40 I 8.84 4.76 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.97 0.00 0.00 41 R 9.03 4.88 0.00 1.88 1.80 0.00 3.08 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 42 I 9.03 4.52 1.92 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 1.19 0.56 0.42 0.00 0.00 43 T 8.24 4.95 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 1.26 0.00 0.00 44 F 9.51 4.81 0.00 2.95 2.48 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 45 L 8.82 4.96 0.00 1.56 1.58 0.98 0.77 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 46 F 8.59 5.35 0.00 3.19 3.07 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 47 E 9.23 4.29 0.00 2.08 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 2.40 2.43 0.00 48 D 8.08 4.92 0.00 2.75 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 49 S 8.05 4.80 0.00 3.70 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 50 K 8.33 4.44 0.00 1.79 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.49 7.81 51 P 0.00 5.53 0.00 2.04 2.09 0.00 3.76 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 52 V 8.64 4.59 2.37 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 0.93 0.00 0.00 1.07 0.00 0.00 53 V 8.65 5.12 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 0.99 0.00 0.00 1.00 0.00 0.00 54 H 9.61 5.14 0.00 3.33 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.67 5.24 0.00 1.94 1.78 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 2.19 2.44 0.00 56 V 8.81 4.80 2.09 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 0.72 0.00 0.00 0.94 0.00 0.00 57 E 8.66 5.25 0.00 1.91 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 2.16 2.27 0.00 58 I 8.43 4.56 1.85 0.00 0.00 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 1.21 1.64 0.89 0.00 0.00 59 S 8.80 4.54 0.00 3.79 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 60 P 0.00 4.47 0.00 2.03 2.10 0.00 3.70 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 2.02 2.06 0.00 *62 K 7.40 4.16 0.00 1.82 1.78 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.38 7.81 63 S 8.46 4.97 0.00 3.84 3.70 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 0.00 0.00 0.00 0.00 64 L 8.89 4.45 0.00 1.72 1.43 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.93 4.99 0.00 2.97 3.25 0.00 5.94 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.71 4.21 0.00 1.76 1.69 0.93 1.01 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 67 R 8.59 4.59 0.00 1.75 2.04 0.00 3.26 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 68 L 8.86 4.09 0.00 1.74 1.81 1.13 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.05 4.58 0.00 2.78 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 70 K 7.64 4.52 0.00 1.66 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 71 L 7.97 4.42 0.00 1.26 1.24 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.18 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 73 I 7.11 3.72 1.58 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.18 0.61 0.00 0.00 74 P 0.00 4.24 0.00 1.98 1.92 0.00 3.57 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 1.80 1.98 0.00 75 K 8.37 4.10 0.00 1.68 1.64 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 76 C 8.35 3.23 0.00 3.02 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 77 K 7.67 4.62 0.00 1.71 1.96 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.66 1.56 7.81 78 P 0.00 4.97 0.00 2.12 2.07 0.00 3.95 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 2.16 2.32 0.00 79 Y 8.60 5.00 0.00 2.73 2.82 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 80 S 9.28 5.16 0.00 3.78 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 81 I 8.99 5.13 2.08 0.00 0.00 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 0.82 2.10 0.74 0.00 0.00 *83 A 8.29 4.47 1.30 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 84 E 9.16 5.04 0.00 1.87 1.83 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 2.17 2.13 0.00 85 S 9.56 5.56 0.00 3.87 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 86 N 8.88 4.68 0.00 2.79 2.95 0.00 0.00 5.84 7.68 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 87 V 7.56 4.59 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 0.75 0.00 0.00 0.95 0.00 0.00 88 P 0.00 4.61 0.00 2.04 2.10 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 89 V 9.01 4.56 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 0.72 0.00 0.00 1.01 0.00 0.00 90 V 7.70 4.03 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 0.66 0.00 0.00 0.89 0.00 0.00 *92 Q 8.35 4.52 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 93 L 8.54 4.88 0.00 0.27 1.06 0.75 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.76 5.03 0.00 3.76 3.67 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 95 R 8.50 4.96 0.00 1.97 1.73 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 96 L 8.86 4.84 0.00 1.53 1.09 0.34 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.92 5.19 0.00 2.76 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 98 V 8.72 4.71 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 0.07 0.00 0.00 0.82 0.00 0.00 99 G 8.38 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 0.00 0.00 0.00 0.00 100 K 8.94 4.04 0.00 1.71 1.88 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 101 N 7.92 5.14 0.00 2.75 2.79 0.00 0.00 6.70 8.16 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 0.00 102 H 7.87 4.81 0.00 3.30 3.37 0.00 5.30 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.25 4.78 0.00 2.96 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 0.00 104 T 9.00 4.91 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 1.31 0.00 0.00 105 L 8.26 5.95 0.00 1.58 1.59 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *107 T 8.25 4.41 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 1.25 0.00 0.00 108 T 8.22 4.67 4.36 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 1.46 0.00 0.00 109 I 8.71 4.42 2.05 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 1.52 1.26 1.23 0.00 0.00 110 G 9.06 3.72 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 0.00 0.00 0.00 111 Y 8.34 4.54 0.00 2.97 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 0.00 112 W 6.42 4.52 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.25 0.00 2.03 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 2.15 2.11 0.00 114 E 8.96 4.13 0.00 2.23 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 2.30 2.29 0.00 115 G 7.95 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.