NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4018 8.1749 110.9439 61.8753 69.9752 173.1604 -4 E 5.2401 8.7105 118.9298 54.5031 30.9480 174.4570 -3 F 4.8297 8.3061 121.5773 55.9623 42.2768 174.0234 -2 K 3.8636 7.6545 128.1675 53.6922 33.9104 175.3500 -1 A 4.3845 7.2705 128.4098 51.6527 19.0545 176.5548 -4 G 4.8501 8.6205 107.5298 43.0031 0.0000 172.7570 -3 S 4.6797 8.3161 116.9772 56.5623 66.4768 172.8234 -2 A 3.8636 7.6045 131.5675 49.9922 19.9104 176.5500 -1 K 4.3845 7.3205 125.0098 55.3527 33.0545 175.3548 5 K 4.2144 7.9535 120.2482 59.1320 32.2084 178.6790 6 G 3.6695 8.2838 105.3013 48.0451 0.0000 175.1035 7 A 2.5800 7.7820 123.8641 54.3015 18.3804 179.7254 8 T 3.7156 7.6457 107.4592 64.8748 69.1484 175.9584 9 L 3.8386 7.6034 123.7945 57.8917 41.9667 178.5714 10 F 4.0269 8.3518 120.4028 61.7992 39.2181 176.7377 11 K 4.0358 7.9377 117.9596 59.5868 31.6585 179.0876 12 T 4.0482 8.0314 111.5019 64.1342 68.7218 174.8244 13 R 4.6392 8.1651 118.2533 56.1665 32.4379 175.8353 14 C 4.4505 8.1485 112.1089 58.7109 31.3831 175.6305 15 L 4.1753 7.1634 121.2631 57.3312 42.0366 178.6488 16 Q 3.8667 7.7980 118.8450 58.6480 29.0208 177.3191 17 C 4.9489 7.7762 111.6671 59.3371 30.8833 173.1871 18 H 5.2475 8.2005 115.3585 54.8724 33.3957 172.5690 19 T 5.0262 8.6687 110.3408 60.4330 71.2956 174.9015 20 V 3.6521 8.5155 115.9698 62.3639 33.8107 176.7185 21 E 4.2580 7.8666 117.1517 55.1883 30.3154 176.0751 22 K 3.8940 7.9854 120.3763 58.3073 32.8703 177.2111 23 G 3.8267 9.0707 111.4219 45.3216 0.0000 173.0501 24 G 4.0127 7.4799 107.7169 43.2750 0.0000 172.2248 25 P 4.6039 0.0000 0.0000 61.3771 32.9852 175.4913 26 H 4.6587 8.2058 116.0550 55.7440 30.2224 175.8013 27 K 4.5792 8.0890 122.8552 55.5068 33.1123 177.8284 28 V 3.6928 8.9406 122.9133 66.7915 31.6476 176.7764 29 G 3.8809 8.3840 108.4119 42.5882 0.0000 171.1085 30 P 4.1871 0.0000 0.0000 61.8724 31.8072 175.9703 31 N 4.7614 8.6506 118.1079 53.5708 39.7397 174.9630 32 L 4.1822 9.3940 124.7270 55.8262 42.4610 176.5599 33 H 3.9563 7.7875 118.2951 57.7791 29.9582 174.6540 34 G 3.9440 8.3468 114.8481 46.5512 0.0000 175.2213 35 I 3.6669 7.5642 120.6243 63.5716 38.2401 175.9753 36 F 4.9684 7.7221 117.9048 58.9920 39.1975 175.8213 37 G 4.0343 11.3000 113.5707 45.1358 0.0000 173.4223 38 R 4.4670 8.0345 121.0662 55.7626 31.6343 175.2699 39 H 5.1233 8.7134 122.5688 54.7586 30.0315 175.3003 40 S 4.0147 8.6400 117.2365 59.2532 63.0765 174.7304 41 G 2.0000 7.8376 110.0655 45.5774 0.0000 173.3974 42 Q 4.6104 7.6712 111.3414 55.0049 30.7268 176.2310 43 A 4.3105 8.8097 123.6500 51.6504 19.0149 177.1795 44 E 4.2802 8.7092 121.4857 57.4129 30.5374 177.1318 45 G 3.9832 9.3799 110.2003 45.2660 0.0000 172.1217 46 Y 4.2593 7.4450 119.9639 55.2893 41.3063 174.4949 47 S 4.5597 7.3731 121.2219 57.0056 62.1815 172.3853 48 Y 4.9721 8.3476 125.7329 56.3265 39.5898 176.4697 49 T 4.0240 8.5777 114.6221 61.7880 71.1709 174.3799 50 D 4.4208 8.7224 120.0657 56.8331 41.1067 178.2464 51 A 3.9479 7.9443 120.5455 55.3861 18.3491 178.2930 52 N 4.2310 8.8683 115.3977 56.9707 38.7693 176.7757 53 I 3.6024 7.3338 120.3371 64.3620 37.5038 177.5663 54 K 4.2697 7.5328 115.0277 56.6274 32.2904 178.3027 55 K 3.8582 8.3314 121.1757 57.2402 32.1196 176.0045 56 N 3.9875 8.0435 115.0737 53.3403 37.7836 173.5307 57 V 3.2379 6.8388 115.7634 63.1350 32.5874 174.8194 58 L 4.5686 7.9221 126.8019 52.6280 42.7021 176.5455 59 W 5.0307 8.6644 126.1533 56.6974 29.7367 175.2881 60 D 5.1434 8.8868 124.5380 51.7882 41.8562 177.2823 61 E 3.4288 8.1924 119.9817 59.1543 30.4170 179.0731 62 N 4.5022 8.3794 117.0950 56.0499 38.7498 176.4527 63 N 4.3825 10.9700 118.1689 57.2945 39.1303 176.5265 64 M 4.4329 8.6422 119.0557 58.2588 31.9982 178.1279 65 S 4.1391 7.6161 112.3937 61.0751 63.1505 174.9352 66 E 4.0147 8.1869 121.5801 59.5583 28.7217 177.8835 67 Y 4.1185 7.6114 119.0803 60.9070 38.8888 178.0335 68 L 3.9772 7.8850 118.2572 56.5577 41.7618 179.3790 69 T 4.8335 7.7292 117.8149 64.2640 68.9844 172.8201 70 N 4.8355 7.6484 118.0527 52.5204 41.4348 173.8109 71 P 4.8581 0.0000 0.0000 62.6607 30.8489 178.7686 *73 K 4.2805 8.1504 121.5337 57.6515 33.8609 176.2037 74 Y 4.4741 8.1814 118.4715 60.2496 38.4797 176.2713 75 M 4.5207 10.1472 121.5700 52.3916 31.9666 171.7899 76 P 4.5462 0.0000 0.0000 63.7547 31.8354 176.8146 77 G 4.0823 9.1389 110.5906 45.5282 0.0000 173.8598 78 T 4.0831 7.5217 114.2099 62.1426 67.9673 174.0231 79 K 4.4710 8.4838 127.3480 56.8773 33.1858 176.8295 80 M 4.2826 7.6956 119.2399 55.8471 32.9458 176.5667 81 A 4.4351 8.4425 134.1480 50.9592 17.6873 177.1744 82 F 4.7568 7.6652 122.3880 55.8095 42.2160 174.4641 83 G 3.4053 8.2550 117.8902 48.3018 0.0000 172.1230 84 G 4.2633 6.0106 102.8904 44.4170 0.0000 173.0741 85 L 4.5955 9.3088 120.6237 52.7788 41.7369 178.0681 86 K 3.9895 8.5660 124.5353 58.5606 32.6277 178.6019 87 K 4.3297 7.8758 119.3230 55.0314 33.2053 176.6201 88 E 3.9667 8.9969 125.8508 59.4017 29.3071 179.0185 89 K 3.9559 8.0008 117.8189 60.2125 32.5157 178.3336 90 D 4.6382 8.1936 120.5023 57.0757 40.8238 179.0332 91 R 4.0252 7.8781 117.6564 59.5109 29.8298 178.9716 92 N 4.8160 8.0609 115.1788 56.7181 38.8529 176.5491 93 D 4.5450 9.1243 121.2781 57.6606 40.7758 178.5711 94 L 4.0702 9.2326 121.0435 58.7842 42.1636 179.4439 95 I 3.5905 7.8655 118.2497 63.6630 36.9500 178.5010 96 T 4.0083 8.1535 117.7283 66.7997 68.3483 175.6558 97 Y 3.9418 8.0203 121.0257 60.6568 38.9697 177.7090 98 L 3.7800 9.3692 120.7344 57.9989 41.6939 179.7538 99 K 4.2084 8.0711 118.7389 58.5057 31.9263 178.7982 100 K 4.0277 7.7466 119.2149 59.7410 32.8385 179.0593 101 A 3.7877 7.6392 122.1064 54.0272 18.3989 178.6727 102 T 4.0026 7.4075 106.1564 61.9846 68.7249 174.6856 103 E 4.0862 7.5063 127.7598 56.6460 29.6562 175.5749 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 -5 T 8.17 4.40 4.53 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 0.00 0.00 0.00 1.26 0.00 0.00 -4 E 8.71 5.24 0.00 2.06 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 2.22 2.34 0.00 -3 F 8.31 4.83 0.00 2.97 3.37 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 -2 K 7.65 3.86 0.00 1.46 1.36 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.09 1.23 7.81 -1 A 7.27 4.38 1.29 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 -4 G 8.62 4.85 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 -3 S 8.32 4.68 0.00 3.72 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 -2 A 7.60 3.86 1.14 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 0.00 0.00 -1 K 7.32 4.38 0.00 1.70 1.54 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.34 7.81 5 K 7.95 4.21 0.00 1.84 1.99 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.52 7.81 6 G 8.28 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 0.00 0.00 0.00 7 A 7.78 2.58 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 8 T 7.65 3.72 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 1.24 0.00 0.00 9 L 7.60 3.84 0.00 1.95 1.75 0.94 0.87 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 10 F 8.35 4.03 0.00 2.95 2.58 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 0.00 0.00 0.00 11 K 7.94 4.04 0.00 1.77 1.80 0.00 1.85 0.00 0.00 1.97 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.60 7.81 12 T 8.03 4.05 4.23 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 1.23 0.00 0.00 13 R 8.17 4.64 0.00 1.79 2.16 0.00 3.38 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 14 C 8.15 4.45 0.00 1.74 2.41 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 15 L 7.16 4.18 0.00 1.58 1.63 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.80 3.87 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 17 C 7.78 4.95 0.00 2.71 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 18 H 8.20 5.25 0.00 3.18 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.67 5.03 4.59 0.00 0.00 0.00 0.00 0.00 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 20 V 8.52 3.65 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 0.32 0.00 0.00 0.88 0.00 0.00 21 E 7.87 4.26 0.00 2.08 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 2.35 2.24 0.00 22 K 7.99 3.89 0.00 1.40 0.79 0.00 1.41 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.35 7.81 23 G 9.07 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 0.00 0.00 0.00 24 G 7.48 4.01 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 0.00 0.00 0.00 25 P 0.00 4.60 0.00 2.19 2.04 0.00 3.77 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 1.95 1.98 0.00 26 H 8.21 4.66 0.00 3.33 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.09 4.58 0.00 1.90 1.53 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 28 V 8.94 3.69 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 0.79 0.00 0.00 0.94 0.00 0.00 29 G 8.38 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 30 P 0.00 4.19 0.00 1.87 1.27 0.00 3.46 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.04 0.00 31 N 8.65 4.76 0.00 2.79 2.60 0.00 0.00 6.98 7.78 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 32 L 9.39 4.18 0.00 1.55 1.49 0.89 0.71 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 33 H 7.79 3.96 0.00 3.20 3.24 0.00 6.10 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 34 G 8.35 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 0.00 0.00 0.00 35 I 7.56 3.67 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.80 0.20 0.00 0.00 36 F 7.72 4.97 0.00 2.97 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 37 G 11.30 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 38 R 8.03 4.47 0.00 2.17 1.91 0.00 3.15 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 39 H 8.71 5.12 0.00 2.98 3.06 0.00 5.97 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.64 4.01 0.00 3.63 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 41 G 7.84 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.67 4.61 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 43 A 8.81 4.31 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 44 E 8.71 4.28 0.00 2.14 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 2.36 0.00 45 G 9.38 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 46 Y 7.44 4.26 0.00 2.50 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 0.00 0.00 0.00 0.00 47 S 7.37 4.56 0.00 3.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.97 0.00 3.04 2.91 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 49 T 8.58 4.02 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 1.35 0.00 0.00 50 D 8.72 4.42 0.00 2.79 2.72 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 51 A 7.94 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 4.23 0.00 2.81 2.88 0.00 0.00 7.29 7.69 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 53 I 7.33 3.60 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.90 0.00 0.00 54 K 7.53 4.27 0.00 1.72 1.79 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 55 K 8.33 3.86 0.00 1.82 1.72 0.00 1.55 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.17 1.08 7.81 56 N 8.04 3.99 0.00 2.67 2.71 0.00 0.00 6.89 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 57 V 6.84 3.24 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 -1.43 0.00 0.00 0.52 0.00 0.00 58 L 7.92 4.57 0.00 1.41 1.51 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.66 5.03 0.00 3.56 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 60 D 8.89 5.14 0.00 2.74 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 61 E 8.19 3.43 0.00 1.23 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 2.00 2.22 0.00 62 N 8.38 4.50 0.00 3.21 2.95 0.00 0.00 6.75 6.92 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 63 N 10.97 4.38 0.00 3.18 3.20 0.00 0.00 6.93 7.53 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 64 M 8.64 4.43 0.00 2.61 2.39 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.76 0.00 65 S 7.62 4.14 0.00 4.07 3.93 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 66 E 8.19 4.01 0.00 2.04 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 2.08 1.47 0.00 67 Y 7.61 4.12 0.00 3.06 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 68 L 7.89 3.98 0.00 1.74 1.65 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.73 4.83 4.43 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 1.23 0.00 0.00 70 N 7.65 4.84 0.00 2.77 2.75 0.00 0.00 6.52 7.59 0.00 0.00 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 P 0.00 4.86 0.00 2.49 1.89 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 *73 K 8.15 4.28 0.00 1.83 2.23 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.57 7.81 74 Y 8.18 4.47 0.00 3.25 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 10.15 4.52 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.75 0.00 76 P 0.00 4.55 0.00 2.08 2.08 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 77 G 9.14 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 0.00 0.00 0.00 78 T 7.52 4.08 4.45 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 1.45 0.00 0.00 79 K 8.48 4.47 0.00 1.96 1.94 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.49 7.81 80 M 7.70 4.28 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 81 A 8.44 4.44 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 82 F 7.67 4.76 0.00 2.85 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 83 G 8.26 3.41 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 0.00 84 G 6.01 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 0.00 0.00 0.00 0.00 85 L 9.31 4.60 0.00 1.75 1.69 1.02 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.57 3.99 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.43 7.81 87 K 7.88 4.33 0.00 2.04 1.76 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.55 7.81 88 E 9.00 3.97 0.00 2.05 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 2.42 2.45 0.00 89 K 8.00 3.96 0.00 2.08 2.06 0.00 1.49 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.61 7.81 90 D 8.19 4.64 0.00 2.84 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 91 R 7.88 4.03 0.00 2.07 2.07 0.00 3.18 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 92 N 8.06 4.82 0.00 2.75 3.13 0.00 0.00 7.06 7.42 0.00 0.00 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 9.12 4.55 0.00 2.82 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 94 L 9.23 4.07 0.00 1.66 1.77 1.12 1.09 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 95 I 7.87 3.59 1.53 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 1.59 0.68 0.38 0.00 0.00 96 T 8.15 4.01 4.60 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 1.36 0.00 0.00 97 Y 8.02 3.94 0.00 3.13 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 98 L 9.37 3.78 0.00 1.73 1.66 0.99 0.47 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 99 K 8.07 4.21 0.00 1.87 1.68 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.04 0.21 7.81 100 K 7.75 4.03 0.00 1.93 1.94 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.16 7.81 101 A 7.64 3.79 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.41 4.00 4.23 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 1.05 0.00 0.00 103 E 7.51 4.09 0.00 1.87 1.80 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 2.24 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.