NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2810 8.3001 120.3263 56.2394 32.3118 174.9712 2 A 4.4173 8.8558 127.3155 51.8183 20.7487 174.8735 3 G 3.6007 8.8454 112.8701 47.4062 0.0000 168.7328 4 D 4.8787 8.2887 121.3472 52.6168 43.1582 175.9373 5 T 4.2637 8.3662 120.6264 63.6551 69.3011 174.3127 6 T 4.9330 8.4261 117.0987 61.1214 71.1197 173.7998 7 I 4.5939 8.4162 120.9264 60.2018 41.9770 173.1906 8 T 5.2314 8.5046 124.2067 61.7713 71.0946 173.6076 9 V 4.4867 9.0932 125.6830 60.9837 35.0210 174.1604 10 V 5.3274 7.9305 126.3409 59.9965 34.0869 175.4355 11 G 3.9284 7.4716 112.7297 46.0045 0.0000 170.2637 12 N 6.1058 7.6724 116.1261 50.1445 41.9739 174.6027 13 L 4.4698 8.5267 123.0438 55.6166 42.1958 178.1955 14 T 4.3900 9.3153 114.6271 63.9759 69.7470 173.6463 15 A 4.5062 7.4917 123.6575 51.4090 21.9767 174.5747 16 D 4.7444 8.4256 118.2994 53.3426 41.4554 174.9142 17 P 4.5827 0.0000 0.0000 63.0729 31.9629 175.6489 18 E 4.1238 9.0754 125.0917 56.1612 30.3584 175.4227 19 L 4.8216 8.4348 127.1873 53.6411 44.0111 175.3875 20 R 4.7230 8.5649 124.0112 54.6305 35.2484 173.5381 21 F 5.3662 8.5062 117.2484 56.0571 42.1241 175.8327 22 T 4.3380 9.3884 113.6778 60.6389 69.8244 173.9789 23 P 4.3109 0.0000 0.0000 66.2652 31.3316 177.8220 24 S 4.3203 8.0686 110.3411 59.2949 62.9317 174.5456 25 G 3.8980 9.3840 109.4107 45.7281 0.0000 173.1611 26 A 4.5781 8.6473 122.1079 50.6510 20.2421 177.7109 27 A 4.1997 8.9352 125.1933 51.8142 19.7252 176.4735 28 V 4.2251 8.1752 122.4901 59.6878 34.1637 174.5289 29 A 5.0661 9.0256 127.3454 50.0605 21.6093 174.9586 30 N 5.4031 8.8193 119.1311 50.4962 42.7117 173.5318 31 F 4.8444 7.1974 114.5843 57.1339 40.9486 172.2750 32 T 5.0901 8.1359 114.8667 61.7998 72.3681 173.2334 33 V 4.6392 9.0570 126.4699 61.5931 33.3840 174.3718 34 A 4.3495 9.2804 131.4911 50.7337 20.3794 175.6349 35 S 4.6884 9.1176 119.6670 57.3219 64.3738 173.0768 36 T 4.7316 8.2326 124.6418 60.9174 69.8635 172.8942 37 P 4.2106 0.0000 0.0000 62.5773 31.7316 176.3743 38 R 3.8409 9.0571 126.8618 59.5326 30.2751 177.9409 39 M 2.9536 7.7710 113.1318 54.6582 30.3534 177.1622 *45 G 4.0231 8.6776 103.2196 47.9597 0.0000 174.5200 46 E 4.1689 8.1362 116.5645 56.0489 31.0109 181.0921 *47 W 4.5739 8.3261 128.5590 56.9169 28.2052 177.1113 48 K 4.9108 8.7350 117.7948 58.1498 39.9237 175.5691 49 D 5.0032 7.8097 117.5166 51.4217 40.1486 178.0901 50 G 3.9583 7.9740 109.8147 45.2846 0.0000 172.5498 51 E 3.8435 8.7197 119.3291 56.4284 29.4408 176.4870 52 A 4.3915 8.5359 128.1268 51.7955 19.6765 175.7614 53 L 4.7482 8.8039 122.2754 53.2698 44.6377 175.1928 54 F 5.2376 9.0751 124.3770 55.7674 41.4474 174.5109 55 L 4.8001 8.7125 124.1218 52.6929 44.7632 176.0311 56 R 4.5356 8.5627 124.2247 56.2125 31.5035 174.6963 57 C 5.1980 8.8247 123.0255 57.8736 32.0922 172.6272 58 N 5.0144 8.6937 118.3016 51.5050 42.0672 173.4027 59 I 4.9719 8.3699 122.0056 59.3426 42.0730 173.6885 60 W 5.0013 8.8497 126.5399 54.8503 32.4882 177.1714 61 R 3.5122 9.0711 119.2046 57.0262 29.1726 177.9460 62 E 3.9147 9.1307 118.0723 60.9030 29.3433 179.4591 63 A 4.0188 8.0978 119.6522 54.9818 18.3899 179.1322 64 A 3.8886 8.0391 119.3569 55.4332 18.4296 179.7323 65 E 3.8924 8.0969 116.3960 59.6734 29.6505 179.2080 66 N 4.3292 8.2622 116.4680 56.1960 38.5962 177.5616 67 V 3.4752 8.5834 120.1060 66.1124 31.4219 178.0549 68 A 3.9778 8.0433 119.0755 54.7994 18.2223 178.8339 69 E 4.1846 8.0721 116.0121 58.0999 29.8700 178.0828 70 S 4.5996 7.9114 113.3923 57.5236 64.6530 174.0593 71 L 4.7439 7.2320 120.2207 53.0431 44.3688 175.1881 72 T 4.6817 8.1922 109.9250 59.6138 72.1108 172.9534 73 R 4.3208 8.5433 121.4116 57.4434 30.1327 176.8318 74 G 4.0057 9.1714 112.5158 45.4498 0.0000 174.0485 75 S 4.2247 7.6820 117.0752 58.6419 64.0353 173.4641 76 R 4.9240 8.4978 124.9016 55.4067 31.3025 175.4149 77 V 4.9590 9.3411 119.0365 59.7118 36.6802 174.2501 78 I 4.8847 8.6404 123.9245 59.7502 39.4917 175.0193 79 V 5.0950 9.0119 126.9138 61.2510 34.8872 174.1747 80 T 5.0440 8.7825 117.6922 60.2023 71.9765 173.5262 81 G 4.4047 8.2026 109.3971 46.6791 0.0000 171.7676 82 R 5.2738 8.0102 116.8575 54.3286 33.0338 175.1931 83 L 4.6563 8.9070 123.6409 54.8444 42.3621 176.7080 84 K 4.6798 9.3830 122.4569 54.6515 36.2495 175.0788 85 Q 4.9265 8.6529 124.5680 55.0482 30.8853 174.6454 86 R 4.7002 8.8859 124.5181 55.0973 33.8596 173.9198 87 S 6.0627 8.9191 121.3487 56.6795 65.7412 173.6659 88 F 4.5907 8.8128 115.9709 56.1682 40.2657 173.7999 89 E 3.6078 9.6519 126.4549 58.2230 29.9844 177.7358 90 T 3.1411 8.4055 114.0150 62.7902 65.6089 173.9794 91 R 3.6184 8.1549 127.2757 58.1363 26.6233 178.1726 92 E 3.6956 7.8521 120.6677 57.2125 27.0909 176.8026 *95 K 4.8790 7.6253 124.0462 56.0050 33.9480 178.8026 96 R 4.8419 8.1363 124.1550 54.2086 34.1845 170.9706 97 T 5.2136 8.5063 110.8611 61.9008 69.8433 173.2285 98 V 4.5490 8.7764 122.1776 59.4384 35.2858 175.0573 99 V 4.4284 8.2814 123.6113 62.4692 32.6422 174.8342 100 E 4.8645 9.6856 126.0416 54.7600 34.6982 174.1660 101 V 4.5204 8.6442 121.9239 61.5083 33.8516 174.5307 102 E 4.7211 8.9221 129.9310 54.6068 29.8069 175.1167 103 V 4.0129 8.6567 127.6527 63.7550 31.8175 174.9180 104 D 4.9598 9.7464 126.7870 55.6187 43.4995 176.1334 105 E 4.9352 7.8445 112.7445 55.1312 34.3962 174.4207 106 I 5.0774 8.2443 120.9831 60.2688 41.2767 173.8180 107 G 4.3592 8.8100 113.4689 44.2619 0.0000 170.6263 108 P 4.8923 0.0000 0.0000 62.4823 32.1314 176.0537 109 S 4.2753 8.7573 118.1738 57.9996 63.0884 173.6150 110 L 4.7604 8.1469 124.1045 53.9347 41.7612 177.7100 111 R 3.7936 7.6957 121.6087 58.9565 29.8926 177.0223 112 Y 5.0124 7.4945 111.1366 57.1431 38.9161 174.3922 113 A 4.6248 7.6359 121.8298 51.5698 22.0424 175.9135 114 T 4.5929 8.2335 108.9020 59.8049 71.4623 173.7044 115 A 4.4603 8.2847 126.5674 51.1502 21.9815 176.8477 116 K 4.3490 8.4885 124.5436 52.7322 31.6249 173.9013 117 V 3.8986 8.2635 127.7379 62.4381 32.3332 177.1426 118 N 4.8577 8.3932 127.0733 50.6081 37.1092 173.2113 119 K 4.2423 8.0582 124.7902 54.6143 31.7265 177.7153 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 1 M 8.30 4.28 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 A 8.86 4.42 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 3 G 8.85 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 4 D 8.29 4.88 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 4.26 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 1.21 0.00 0.00 6 T 8.43 4.93 4.30 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 1.25 0.00 0.00 7 I 8.42 4.59 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 1.23 1.16 0.91 0.00 0.00 8 T 8.50 5.23 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 1.27 0.00 0.00 9 V 9.09 4.49 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 1.02 0.00 0.00 0.93 0.00 0.00 10 V 7.93 5.33 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 0.79 0.00 0.00 0.91 0.00 0.00 11 G 7.47 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 0.00 0.00 0.00 12 N 7.67 6.11 0.00 2.61 2.69 0.00 0.00 6.96 6.35 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 13 L 8.53 4.47 0.00 1.67 1.77 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.32 4.39 4.38 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 1.47 0.00 0.00 15 A 7.49 4.51 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 16 D 8.43 4.74 0.00 2.68 2.60 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 17 P 0.00 4.58 0.00 2.07 1.96 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 18 E 9.08 4.12 0.00 2.07 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 2.32 2.27 0.00 19 L 8.43 4.82 0.00 1.54 1.48 0.65 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.56 4.72 0.00 1.54 1.68 0.00 3.09 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 21 F 8.51 5.37 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.39 4.34 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 1.61 0.00 0.00 23 P 0.00 4.31 0.00 2.11 2.23 0.00 3.77 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 2.10 2.21 0.00 24 S 8.07 4.32 0.00 3.92 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 25 G 9.38 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 0.00 0.00 0.00 26 A 8.65 4.58 1.48 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 27 A 8.94 4.20 1.28 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 0.00 0.00 0.00 28 V 8.18 4.23 1.17 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 0.55 0.00 0.00 -0.76 0.00 0.00 29 A 9.03 5.07 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 30 N 8.82 5.40 0.00 2.49 2.54 0.00 0.00 6.49 8.50 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 31 F 7.20 4.84 0.00 2.99 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 32 T 8.14 5.09 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 1.41 0.00 0.00 33 V 9.06 4.64 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 0.94 0.00 0.00 1.13 0.00 0.00 34 A 9.28 4.35 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 35 S 9.12 4.69 0.00 3.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.73 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 1.20 0.00 0.00 37 P 0.00 4.21 0.00 2.03 2.02 0.00 3.67 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 2.06 0.00 38 R 9.06 3.84 0.00 1.76 1.97 0.00 3.45 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 39 M 7.77 2.95 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.08 0.00 *45 G 8.68 4.02 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 0.00 46 E 8.14 4.17 0.00 2.00 1.76 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 2.23 1.88 0.00 *47 W 8.33 4.57 0.00 2.51 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 0.00 0.00 0.00 48 K 8.73 4.91 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 0.99 7.81 49 D 7.81 5.00 0.00 2.67 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 0.00 0.00 0.00 0.00 50 G 7.97 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 51 E 8.72 3.84 0.00 1.95 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 2.34 2.46 0.00 52 A 8.54 4.39 1.09 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 0.00 0.00 53 L 8.80 4.75 0.00 1.70 1.44 0.96 0.97 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 54 F 9.08 5.24 0.00 2.90 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 55 L 8.71 4.80 0.00 1.57 1.52 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.56 4.54 0.00 1.88 1.68 0.00 3.23 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 57 C 8.82 5.20 0.00 1.55 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 58 N 8.69 5.01 0.00 2.62 2.49 0.00 0.00 6.49 6.78 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 59 I 8.37 4.97 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 1.11 0.00 0.00 60 W 8.85 5.00 0.00 3.19 3.22 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 61 R 9.07 3.51 0.00 2.08 1.87 0.00 3.22 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 62 E 9.13 3.91 0.00 2.07 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 2.42 2.45 0.00 63 A 8.10 4.02 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 64 A 8.04 3.89 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 65 E 8.10 3.89 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 66 N 8.26 4.33 0.00 2.88 2.86 0.00 0.00 6.70 7.14 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 67 V 8.58 3.48 2.28 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 0.78 0.00 0.00 0.94 0.00 0.00 68 A 8.04 3.98 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 69 E 8.07 4.18 0.00 2.09 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 2.32 2.62 0.00 70 S 7.91 4.60 0.00 3.85 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 71 L 7.23 4.74 0.00 1.48 1.35 0.60 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.19 4.68 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 1.18 0.00 0.00 73 R 8.54 4.32 0.00 1.76 1.90 0.00 3.16 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 74 G 9.17 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 75 S 7.68 4.22 0.00 3.74 3.74 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 76 R 8.50 4.92 0.00 2.02 1.81 0.00 3.23 0.00 0.00 3.24 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 77 V 9.34 4.96 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 0.65 0.00 0.00 0.98 0.00 0.00 78 I 8.64 4.88 1.86 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 1.08 1.15 0.90 0.00 0.00 79 V 9.01 5.10 2.26 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 1.01 0.00 0.00 1.07 0.00 0.00 80 T 8.78 5.04 4.25 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 1.22 0.00 0.00 81 G 8.20 4.40 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 0.00 82 R 8.01 5.27 0.00 1.87 1.98 0.00 2.77 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 83 L 8.91 4.66 0.00 1.53 1.64 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.38 4.68 0.00 1.56 1.63 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.50 7.81 85 Q 8.65 4.93 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 86 R 8.89 4.70 0.00 1.82 1.57 0.00 3.11 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 87 S 8.92 6.06 0.00 3.85 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 88 F 8.81 4.59 0.00 3.10 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 89 E 9.65 3.61 0.00 1.95 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 0.00 2.32 2.26 0.00 90 T 8.41 3.14 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 1.21 0.00 0.00 91 R 8.15 3.62 0.00 1.99 1.89 0.00 3.38 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 92 E 7.85 3.70 0.00 2.11 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 0.00 2.14 1.85 0.00 *95 K 7.63 4.88 0.00 1.56 1.69 0.00 1.61 0.00 0.00 2.40 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.87 7.81 96 R 8.14 4.84 0.00 1.45 1.80 0.00 3.16 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 97 T 8.51 5.21 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 98 V 8.78 4.55 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 0.62 0.00 0.00 0.58 0.00 0.00 99 V 8.28 4.43 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 0.77 0.00 0.00 0.93 0.00 0.00 100 E 9.69 4.86 0.00 1.80 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 0.00 2.11 2.14 0.00 101 V 8.64 4.52 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 0.92 0.00 0.00 0.91 0.00 0.00 102 E 8.92 4.72 0.00 2.18 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 2.29 2.40 0.00 103 V 8.66 4.01 2.21 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 0.97 0.00 0.00 0.93 0.00 0.00 104 D 9.75 4.96 0.00 2.71 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 0.00 105 E 7.84 4.94 0.00 1.91 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 2.24 2.41 0.00 106 I 8.24 5.08 1.98 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 1.23 0.80 0.95 0.00 0.00 107 G 8.81 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 0.00 0.00 0.00 0.00 108 P 0.00 4.89 0.00 2.06 2.02 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.76 4.28 0.00 3.84 3.74 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 0.00 110 L 8.15 4.76 0.00 1.62 1.62 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.70 3.79 0.00 1.45 1.34 0.00 2.39 0.00 0.00 2.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 112 Y 7.49 5.01 0.00 3.00 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 0.00 113 A 7.64 4.62 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 0.00 114 T 8.23 4.59 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 1.22 0.00 0.00 115 A 8.28 4.46 1.19 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 0.00 0.00 0.00 116 K 8.49 4.35 0.00 1.78 1.65 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 0.97 7.81 117 V 8.26 3.90 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 0.92 0.00 0.00 0.92 0.00 0.00 118 N 8.39 4.86 0.00 2.75 2.59 0.00 0.00 6.69 7.44 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 0.00 119 K 8.06 4.24 0.00 1.77 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.