NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.7050 8.4444 117.3694 54.6622 30.2219 172.3078 7 R 4.4631 7.9175 112.0769 57.9540 29.4886 175.4688 8 L 3.6172 7.9561 110.6607 55.3465 39.9735 175.3306 9 S 4.1887 8.7940 120.2605 58.2841 64.2950 174.6415 10 A 3.6727 8.7666 131.0787 56.1858 18.0363 180.2397 11 E 3.9286 8.1737 116.6935 60.8330 29.7044 182.1055 12 E 4.1209 8.1243 118.3996 60.4292 29.8199 179.1115 13 R 3.8631 9.0309 117.3554 59.5262 29.8013 178.6201 14 D 4.4101 8.6091 123.0361 57.2100 41.2186 179.0715 15 Q 4.2165 7.7919 119.2535 58.7777 29.5578 177.3148 16 L 4.0508 8.5329 119.5270 57.4002 41.8915 178.8558 17 L 4.0580 8.1743 118.0737 59.1500 41.6757 178.6090 18 P 3.9182 0.0000 0.0000 64.4508 31.2221 177.4317 19 N 4.4018 8.2303 115.4669 56.6932 37.0139 177.0411 20 L 4.0895 7.8789 121.0196 57.1625 41.8545 179.3710 21 R 4.1084 8.5953 120.2131 58.8078 29.8273 178.4148 22 A 4.1582 8.8178 120.8110 54.0688 18.2900 178.9533 23 V 4.3275 6.9657 109.1970 61.6227 32.5201 176.5871 24 G 3.8469 7.8571 108.0426 45.1807 0.0000 175.2263 25 W 4.2433 8.9125 120.7533 56.9820 30.5309 174.9988 26 N 4.8915 9.1567 118.4542 51.9715 43.1337 173.0270 27 E 5.2734 8.5520 119.5818 54.8614 31.3323 176.2780 28 L 4.3430 8.5797 124.1222 54.9285 42.0552 177.1611 29 E 4.0972 9.0748 123.7297 59.1786 30.1536 177.9123 30 G 4.1757 8.2187 106.6822 48.1279 0.0000 172.6762 31 R 4.4182 7.3832 114.0548 54.9861 31.5628 174.1315 32 D 4.7999 8.4065 115.0167 53.0538 40.7792 176.0099 33 A 4.8568 7.7698 123.9610 50.8201 22.5743 174.5196 34 I 5.4323 9.0624 112.8546 59.4623 41.5144 174.3116 35 F 6.1577 8.7113 117.6708 54.7796 42.2239 172.9407 36 K 3.8615 7.7683 115.5301 55.3271 34.8997 173.1033 37 Q 5.0960 8.2744 127.3974 54.4743 30.9195 174.4420 38 F 4.5279 9.6777 125.6321 56.2033 41.6359 174.5978 39 H 5.0219 8.0965 118.0980 54.1391 31.3991 173.0916 40 F 4.7082 9.2838 122.6803 55.2967 41.4566 176.2386 41 K 4.0987 8.3810 121.5690 59.1320 32.0791 176.5204 42 D 4.7085 7.5965 116.3637 50.6335 44.0026 175.6641 43 F 4.1149 7.8097 121.4721 60.4785 39.2464 176.2334 44 N 4.0706 8.1099 116.5725 56.6085 38.7134 176.6819 45 R 3.6927 8.4541 120.0069 59.0987 30.1383 177.9799 46 A 2.8800 7.7658 120.8598 55.0950 18.3524 179.5005 47 F 3.7435 8.0056 119.4165 61.1153 39.1335 177.6364 48 G 3.7025 7.7332 104.4847 47.5042 0.0000 175.1521 49 F 4.1434 8.1094 123.3149 61.5296 39.3872 176.9227 50 M 3.5023 7.7563 118.1938 58.6326 31.5980 179.0282 51 T 3.6599 7.6984 115.9672 66.6380 68.5832 176.8279 52 R 4.0427 7.6234 119.6531 58.5208 29.9889 179.2577 53 V 3.7479 7.5632 117.9877 65.6795 31.6696 177.3804 54 A 4.0115 8.5013 121.0240 55.3484 18.2579 179.5081 55 L 3.8798 7.9648 117.0939 58.2347 41.6774 179.9399 56 Q 3.6780 7.7130 117.1528 58.4809 28.5568 178.2560 57 A 3.9555 8.3461 124.2428 54.5198 18.3390 179.4966 58 E 3.8673 8.0329 116.5451 59.5084 29.3639 179.3398 59 K 3.7796 7.5169 117.8844 59.4042 32.2938 177.8776 60 L 4.2190 7.8645 115.9497 53.7371 42.1208 175.9172 61 D 4.2922 7.8493 117.3683 55.1670 39.9933 172.5123 62 H 4.8281 7.9036 115.1977 54.1258 32.6949 171.5170 63 H 4.7296 8.3340 122.9564 53.0649 31.8001 171.4469 64 P 4.4092 0.0000 0.0000 62.2382 32.8057 175.3312 65 E 4.5902 8.5150 122.3526 55.4225 30.4147 175.5242 66 W 5.9277 9.1654 120.9551 54.7919 32.1315 174.3136 67 F 5.0316 9.9150 122.7810 56.6251 41.9658 172.7679 68 N 5.3178 8.3852 124.3028 51.8662 41.2485 174.4226 69 V 4.1356 8.0563 124.8761 61.5099 33.5020 177.1864 70 Y 3.7618 8.6297 132.3182 58.5782 38.0324 170.3782 71 N 4.7253 9.3891 115.3540 52.4554 38.4435 174.3557 72 K 5.2002 7.9085 118.3724 54.8790 36.1425 175.1713 73 V 4.9629 8.9852 123.4288 61.4715 34.8058 173.4021 74 H 5.4241 10.2427 129.1130 54.6684 32.0769 173.1152 75 I 5.4136 9.2031 126.2599 59.9646 40.9352 174.4431 76 T 5.4721 9.0054 122.6712 61.8636 71.9786 173.0368 77 L 4.9823 9.9737 125.5926 53.1364 45.3786 175.6073 78 S 4.8005 8.3222 115.4692 57.7403 65.6651 174.3344 79 T 4.3492 8.2497 124.2081 63.6184 69.5477 175.6960 80 H 4.3768 8.7899 122.3482 58.6865 29.5131 177.4763 81 E 3.9567 8.4935 118.0022 59.4527 29.2380 177.9540 82 C 4.3594 7.8238 109.4693 57.9602 30.4113 174.4694 83 A 3.7326 7.5027 119.9314 51.8893 15.4833 176.1897 84 G 4.5084 7.5065 114.7171 43.0176 0.0000 170.1647 85 L 3.9363 7.9811 119.0064 55.4908 41.8818 177.1445 86 S 4.6061 8.8005 115.7677 55.6121 66.5554 174.7157 87 E 4.0427 8.6151 118.8391 59.1490 28.8174 179.8533 88 R 3.7713 7.6903 118.1396 59.3972 30.1277 178.7218 89 D 4.3471 7.6214 117.1877 57.2079 40.6957 178.9387 90 I 3.4881 7.5460 119.8494 64.3465 37.3212 177.3341 91 N 4.1672 7.9506 117.7350 56.9983 38.7295 176.3895 92 L 3.9332 8.1306 121.1414 58.1971 42.0828 178.9620 93 A 3.9895 7.9257 120.6608 55.0196 18.2377 179.5889 94 S 4.0756 8.2914 114.2169 61.7946 62.8625 176.7961 95 F 4.1245 8.0484 122.5835 61.5278 39.1255 177.1536 96 I 3.8380 8.6427 119.7286 64.5035 36.9859 178.0794 97 E 4.2502 8.6996 119.7898 59.7821 29.3639 179.1355 98 Q 4.0065 8.0378 117.6218 59.1777 28.5768 179.7797 99 V 3.4966 7.5772 117.8027 66.0395 31.7419 177.5150 100 A 4.2736 8.3587 119.4896 56.1379 18.3533 178.8033 101 V 3.7902 8.0524 117.4203 64.7014 32.5595 175.8870 102 S 5.0235 7.7644 115.8576 57.2703 60.7527 172.2157 103 M 4.2149 8.2061 129.4734 55.3619 36.0673 174.6331 104 T 3.8257 7.7637 120.4672 64.0434 69.3975 171.5595 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 *6 H 8.44 4.70 0.00 2.95 2.97 0.00 7.11 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.92 4.46 0.00 1.77 1.81 0.00 3.10 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 8 L 7.96 3.62 0.00 1.90 1.80 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.79 4.19 0.00 3.87 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 10 A 8.77 3.67 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 11 E 8.17 3.93 0.00 2.02 1.92 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 2.24 2.22 0.00 12 E 8.12 4.12 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 13 R 9.03 3.86 0.00 1.97 1.88 0.00 3.33 0.00 0.00 3.17 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 14 D 8.61 4.41 0.00 2.88 2.74 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 15 Q 7.79 4.22 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 16 L 8.53 4.05 0.00 1.63 1.63 0.89 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.17 4.06 0.00 1.70 1.74 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 3.92 0.00 2.17 1.99 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 19 N 8.23 4.40 0.00 2.99 3.12 0.00 0.00 6.04 6.67 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 20 L 7.88 4.09 0.00 1.77 1.56 0.62 0.62 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 21 R 8.60 4.11 0.00 1.99 2.27 0.00 3.20 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 22 A 8.82 4.16 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 23 V 6.97 4.33 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 0.83 0.00 0.00 1.20 0.00 0.00 24 G 7.86 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 25 W 8.91 4.24 0.00 3.28 3.18 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 26 N 9.16 4.89 0.00 1.44 2.29 0.00 0.00 7.16 8.09 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 27 E 8.55 5.27 0.00 1.92 1.95 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 2.28 2.35 0.00 28 L 8.58 4.34 0.00 1.84 1.66 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 E 9.07 4.10 0.00 1.94 1.98 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 2.31 2.38 0.00 30 G 8.22 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 0.00 0.00 0.00 0.00 31 R 7.38 4.42 0.00 1.90 1.93 0.00 3.05 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 32 D 8.41 4.80 0.00 2.84 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 33 A 7.77 4.86 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 34 I 9.06 5.43 2.15 0.00 0.00 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 1.56 1.41 0.95 0.00 0.00 35 F 8.71 6.16 0.00 3.07 3.32 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 36 K 7.77 3.86 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.19 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.33 0.21 7.81 37 Q 8.27 5.10 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 38 F 9.68 4.53 0.00 2.68 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 0.00 0.00 0.00 39 H 8.10 5.02 0.00 2.80 3.15 0.00 5.85 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 40 F 9.28 4.71 0.00 2.80 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 41 K 8.38 4.10 0.00 1.88 1.89 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 42 D 7.60 4.71 0.00 2.96 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 43 F 7.81 4.11 0.00 2.60 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 44 N 8.11 4.07 0.00 2.80 2.94 0.00 0.00 6.88 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 45 R 8.45 3.69 0.00 2.34 1.72 0.00 3.26 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 46 A 7.77 2.88 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 47 F 8.01 3.74 0.00 1.92 2.44 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 48 G 7.73 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 0.00 0.00 0.00 49 F 8.11 4.14 0.00 2.38 2.70 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 50 M 7.76 3.50 0.00 0.68 1.04 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.90 0.00 51 T 7.70 3.66 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 1.14 0.00 0.00 52 R 7.62 4.04 0.00 1.84 2.05 0.00 3.11 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 53 V 7.56 3.75 2.25 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 0.85 0.00 0.00 0.62 0.00 0.00 54 A 8.50 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.88 0.00 1.91 1.70 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.71 3.68 0.00 1.67 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 57 A 8.35 3.96 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 58 E 8.03 3.87 0.00 2.11 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 2.36 2.47 0.00 59 K 7.52 3.78 0.00 1.79 1.87 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 60 L 7.86 4.22 0.00 1.50 1.58 0.76 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.85 4.29 0.00 2.72 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 62 H 7.90 4.83 0.00 3.09 2.95 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.33 4.73 0.00 3.00 2.98 0.00 5.94 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.41 0.00 1.29 1.64 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.07 0.00 65 E 8.52 4.59 0.00 2.00 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 0.00 2.37 2.30 0.00 66 W 9.17 5.93 0.00 3.43 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 67 F 9.92 5.03 0.00 3.19 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 68 N 8.39 5.32 0.00 2.61 2.48 0.00 0.00 6.90 7.71 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 69 V 8.06 4.14 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 0.95 0.00 0.00 0.63 0.00 0.00 70 Y 8.63 3.76 0.00 3.19 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.39 4.73 0.00 3.08 2.65 0.00 0.00 5.71 7.20 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 72 K 7.91 5.20 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 1.35 7.81 73 V 8.99 4.96 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 1.16 0.00 0.00 1.30 0.00 0.00 74 H 10.24 5.42 0.00 3.38 3.50 0.00 5.58 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 75 I 9.20 5.41 2.32 0.00 0.00 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 1.78 1.09 1.26 0.00 0.00 76 T 9.01 5.47 4.39 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 1.37 0.00 0.00 77 L 9.97 4.98 0.00 1.54 1.49 0.73 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.32 4.80 0.00 3.89 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 79 T 8.25 4.35 4.41 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 1.18 0.00 0.00 80 H 8.79 4.38 0.00 3.29 3.36 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.49 3.96 0.00 1.95 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 2.33 2.34 0.00 82 C 7.82 4.36 0.00 3.06 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 83 A 7.50 3.73 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 84 G 7.51 4.51 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 0.00 0.00 0.00 85 L 7.98 3.94 0.00 1.71 1.61 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.80 4.61 0.00 4.07 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 87 E 8.62 4.04 0.00 1.98 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 2.36 2.37 0.00 88 R 7.69 3.77 0.00 1.63 1.43 0.00 2.94 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 89 D 7.62 4.35 0.00 2.74 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 90 I 7.55 3.49 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.82 0.00 0.00 91 N 7.95 4.17 0.00 2.99 2.81 0.00 0.00 6.92 6.82 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 92 L 8.13 3.93 0.00 1.82 1.72 0.78 0.87 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 93 A 7.93 3.99 0.65 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 0.00 0.00 94 S 8.29 4.08 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 95 F 8.05 4.12 0.00 3.10 3.23 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 96 I 8.64 3.84 2.34 0.00 0.00 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 1.66 0.82 1.25 0.00 0.00 97 E 8.70 4.25 0.00 2.37 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 2.86 2.74 0.00 98 Q 8.04 4.01 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 99 V 7.58 3.50 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 0.88 0.00 0.00 0.13 0.00 0.00 100 A 8.36 4.27 1.54 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 0.00 0.00 101 V 8.05 3.79 2.27 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 1.07 0.00 0.00 0.98 0.00 0.00 102 S 7.76 5.02 0.00 4.07 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 0.00 103 M 8.21 4.21 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 104 T 7.76 3.83 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.