NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 K 4.1975 8.3144 122.1432 54.5868 33.4118 174.5365 10 C 4.4333 8.3260 118.3600 56.5198 31.8630 170.9912 11 P 4.6604 0.0000 0.0000 64.4901 33.4899 175.1791 12 L 4.9906 7.5410 122.2407 54.0445 44.6784 174.8227 13 M 5.0291 9.1765 125.2717 53.5008 36.7844 174.5588 14 V 4.8742 8.2821 120.2430 60.9694 35.3014 174.1615 15 K 4.9782 8.9679 127.9404 54.5831 35.3471 174.6913 16 V 4.7582 9.0240 127.4112 60.9982 34.4347 174.0107 17 L 5.0899 8.5175 127.1332 52.8808 45.3970 174.9492 18 D 4.9832 9.1359 123.2707 53.5321 41.8150 176.6248 19 A 4.3578 9.1066 128.1425 53.6289 18.8239 178.7602 20 V 3.8204 8.5473 114.8999 65.4982 31.8717 177.0074 21 R 4.3111 8.6912 116.0390 55.3045 31.2273 176.0814 22 G 3.9669 8.0430 105.9351 45.8909 0.0000 172.5667 23 S 4.8305 7.3123 111.7565 55.7044 67.2956 173.1838 24 P 4.6149 0.0000 0.0000 63.4510 31.6023 175.8317 25 A 4.2088 8.8731 124.7291 51.2647 19.3071 176.2385 26 I 4.3315 8.3074 122.4984 60.9584 39.3133 175.6813 27 N 4.1379 8.3036 121.0439 54.3579 36.6719 174.4174 28 V 4.0706 7.5815 118.1475 61.9158 33.1095 174.9036 29 A 4.6274 8.5689 129.9758 51.8426 19.9992 176.0630 30 V 4.8261 8.6773 121.3507 61.3644 35.1246 173.9594 31 H 5.0238 9.3921 124.5664 53.8720 32.4324 172.5255 32 V 4.8267 8.7852 123.0032 61.1803 33.9573 174.4218 33 F 5.4625 9.2726 125.2220 55.7168 43.4850 173.6883 34 R 4.8048 9.1888 121.2923 54.0714 33.0686 174.6115 35 K 3.7587 8.6853 128.0667 55.7798 32.7519 176.7495 36 A 4.0585 9.0538 131.3499 51.5752 19.0872 177.9333 37 A 3.9674 8.6774 125.9343 56.1921 18.4645 179.1952 38 D 4.5928 7.9866 111.8902 52.7201 39.6909 178.4553 39 D 4.0638 7.3964 117.4554 54.9729 39.2279 171.9635 40 T 4.0350 6.6783 111.3393 60.5950 72.3671 172.4134 41 W 5.0422 8.6431 121.6872 55.2059 30.2368 175.9296 42 E 4.5755 9.3494 126.2121 54.7996 30.5987 174.8164 43 P 4.3927 0.0000 0.0000 63.4227 31.3487 175.4439 44 F 4.8248 8.8786 126.4771 59.3639 41.4771 175.2699 45 A 4.4028 7.4603 116.5558 51.5217 21.9695 175.2312 46 S 4.7598 8.1476 113.3362 57.2113 66.7765 173.0401 47 G 3.9460 7.7956 105.6837 46.2522 0.0000 171.7336 48 K 5.2148 8.4701 120.0359 54.4048 35.5232 176.6355 49 T 4.2366 8.6585 117.6608 62.0646 70.2056 174.9428 50 S 4.9162 8.7638 119.0641 57.5041 65.4819 174.3135 51 E 3.9881 8.7457 118.5680 59.1913 29.2471 177.6961 52 S 4.4340 7.7827 112.1120 57.7315 63.7273 174.8692 53 G 3.8401 8.3841 109.8606 45.3389 0.0000 172.7058 54 E 5.0568 7.7440 118.0108 54.1732 33.2669 175.0274 55 L 4.8391 8.5284 123.2469 54.0342 44.8368 175.0673 56 H 4.9594 8.8048 122.7156 54.4962 31.9761 174.6646 57 G 3.8800 8.7725 105.7370 46.3596 0.0000 174.9294 58 L 4.0092 8.0012 121.1946 57.1418 41.7130 176.6706 59 T 4.5556 7.3098 105.0478 60.3112 71.9971 172.1790 60 T 4.7634 8.0264 109.3794 59.5892 71.7687 174.4680 61 E 4.1623 9.0442 121.9239 59.9231 29.7416 178.7715 62 E 4.1645 8.3553 116.6241 59.3999 29.6196 177.9059 63 E 4.2592 8.0624 117.4361 58.0925 30.2931 176.8571 64 F 5.0939 8.0944 122.8509 57.2105 37.6308 174.5253 65 V 4.0735 7.5324 117.6229 59.5001 33.5359 175.5500 66 E 4.1745 8.6273 121.5538 56.6478 30.2149 176.3876 67 G 3.7752 7.7285 110.5133 46.7308 0.0000 170.7321 68 I 4.8805 7.2399 119.9163 59.8254 39.2669 174.9722 69 Y 5.0821 8.6156 124.3104 55.9048 41.6492 174.6015 70 K 4.7620 9.0754 123.1195 54.6405 35.3975 174.9182 71 V 4.4916 8.8867 128.3202 61.4598 33.2279 173.6991 72 E 4.9505 9.3830 130.5516 54.5579 31.8591 174.3896 73 I 4.6424 8.5880 128.0684 59.6308 39.5129 175.6218 74 D 5.0508 9.0984 129.9643 53.3982 38.3501 177.2058 75 T 3.9252 7.7841 114.3011 64.3334 69.3629 176.7614 76 K 4.1354 8.0414 122.0749 59.3708 32.3978 178.7561 77 S 4.1179 8.1468 114.9641 61.8568 62.9216 175.4722 78 Y 4.0370 7.5839 121.5032 61.0798 38.4216 178.7403 79 W 4.2463 8.4380 119.2906 59.2321 29.1230 178.9252 80 K 4.2290 8.6329 119.9979 59.0025 31.4439 179.1281 81 A 4.2902 7.8929 118.8188 53.9839 18.2087 177.8193 82 L 4.3338 7.0095 115.6711 54.3122 41.7498 177.3937 83 G 3.9320 8.6583 106.1989 45.9425 0.0000 173.7249 84 I 4.3445 7.8028 120.4692 59.4003 38.8585 175.3363 85 S 4.6733 8.4420 121.1887 56.3497 62.5113 172.3476 86 P 4.3800 0.0000 0.0000 61.2926 32.6460 176.7185 87 F 3.8536 7.8675 120.9828 61.3714 39.2571 175.5710 88 H 4.4761 7.8561 115.8247 55.1564 29.5201 175.4464 89 E 4.0130 8.6571 122.6627 59.6230 29.5431 176.0864 90 H 4.9991 7.4902 110.3093 55.9285 31.4531 172.5842 91 A 4.4879 8.3761 119.9993 49.9489 21.0960 175.1096 92 E 5.0700 8.9339 120.6579 54.5037 32.3016 175.5280 93 V 4.5242 8.8011 123.1957 61.0630 34.2719 174.1652 94 V 5.0729 8.5989 127.4220 61.0932 33.8981 174.3676 95 F 5.1514 8.6873 121.5336 55.7671 41.6061 173.6105 96 T 4.6501 8.7599 117.7763 63.6424 69.2950 173.7888 97 A 4.6843 8.8219 127.4021 50.5459 22.6885 175.6840 98 N 4.8416 8.9690 115.2454 53.9114 36.5717 175.2305 99 D 4.6133 8.2535 116.3845 55.6835 41.6059 176.3021 100 S 4.6025 8.0803 113.3431 59.4536 64.6734 172.6636 101 G 3.7990 8.3904 106.2783 43.2671 0.0000 171.9668 102 P 4.8544 0.0000 0.0000 62.7739 31.8375 175.7075 103 R 4.7373 8.8727 121.6541 55.1527 34.5129 175.1893 104 R 4.8807 8.5153 120.8189 55.6018 31.9007 175.1918 105 Y 4.9824 9.0896 121.4909 55.5577 41.4109 174.6705 106 T 4.9614 8.8503 120.9025 61.8283 71.6129 173.2950 107 I 4.7132 8.5178 127.5729 59.7115 39.0019 174.5634 108 A 5.0550 8.6985 129.6933 50.7149 20.8727 175.6630 109 A 5.1305 8.9362 122.5988 49.9741 22.8260 174.6611 110 L 5.0908 9.2655 123.9299 53.2914 44.6198 175.0198 111 L 5.4891 9.0534 126.2235 53.2730 44.7985 175.7603 112 S 5.2449 9.4883 118.5263 56.1511 67.2178 173.2848 113 P 3.1668 0.0000 0.0000 65.4337 31.0618 177.7392 114 Y 4.5029 7.8662 111.3878 57.2993 38.4939 175.0855 115 S 4.7316 8.1031 113.8704 57.3839 65.7149 172.3433 116 Y 5.4699 7.6801 122.5168 56.1063 40.8330 173.5668 117 S 4.8359 9.2507 114.3853 57.0134 66.5030 172.5255 118 T 5.3052 8.5022 118.3504 60.7382 70.5082 172.8859 119 T 4.8272 8.8303 117.2673 59.8477 72.4436 172.3028 120 A 5.1967 8.6282 125.0411 50.1989 21.6333 175.7860 121 V 4.2887 8.5075 121.8475 60.9977 34.0474 174.5098 122 V 4.6659 8.3794 127.5130 61.2265 33.8456 174.4064 123 T 4.7366 8.3991 116.9935 59.9396 72.7746 173.7941 124 N 4.4484 8.3142 119.2262 54.0020 39.2294 173.9375 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 *9 K 8.31 4.20 0.00 1.79 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 10 C 8.33 4.43 0.00 3.00 2.89 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 11 P 0.00 4.66 0.00 2.47 2.52 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 12 L 7.54 4.99 0.00 0.83 1.10 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.18 5.03 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 14 V 8.28 4.87 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 0.94 0.00 0.00 0.89 0.00 0.00 15 K 8.97 4.98 0.00 1.77 1.55 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.30 7.81 16 V 9.02 4.76 1.86 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 0.65 0.00 0.00 0.79 0.00 0.00 17 L 8.52 5.09 0.00 1.62 1.51 0.92 0.81 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 18 D 9.14 4.98 0.00 2.66 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 19 A 9.11 4.36 1.44 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 0.00 0.00 20 V 8.55 3.82 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 0.98 0.00 0.00 1.08 0.00 0.00 21 R 8.69 4.31 0.00 1.92 2.02 0.00 3.44 0.00 0.00 3.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 22 G 8.04 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.31 4.83 0.00 3.87 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 24 P 0.00 4.61 0.00 2.06 2.19 0.00 3.76 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 1.99 1.98 0.00 25 A 8.87 4.21 0.52 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 0.00 0.00 26 I 8.31 4.33 1.91 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 1.56 0.63 0.93 0.00 0.00 27 N 8.30 4.14 0.00 2.95 2.92 0.00 0.00 6.89 6.98 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 28 V 7.58 4.07 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 0.76 0.00 0.00 0.39 0.00 0.00 29 A 8.57 4.63 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 30 V 8.68 4.83 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 0.92 0.00 0.00 0.85 0.00 0.00 31 H 9.39 5.02 0.00 3.14 2.74 0.00 5.82 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 32 V 8.79 4.83 2.29 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 1.05 0.00 0.00 0.94 0.00 0.00 33 F 9.27 5.46 0.00 2.95 3.26 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 34 R 9.19 4.80 0.00 1.41 1.64 0.00 2.80 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 35 K 8.69 3.76 0.00 0.96 1.24 0.00 1.05 0.00 0.00 1.32 0.00 0.00 2.69 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.94 0.28 7.81 36 A 9.05 4.06 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 37 A 8.68 3.97 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 38 D 7.99 4.59 0.00 2.71 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 39 D 7.40 4.06 0.00 2.64 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 40 T 6.68 4.04 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 1.16 0.00 0.00 41 W 8.64 5.04 0.00 3.00 3.04 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 0.00 0.00 0.00 42 E 9.35 4.58 0.00 2.01 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 2.44 2.46 0.00 43 P 0.00 4.39 0.00 1.98 2.01 0.00 3.77 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 2.15 2.38 0.00 44 F 8.88 4.82 0.00 3.03 3.27 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 45 A 7.46 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.15 4.76 0.00 3.60 3.62 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 47 G 7.80 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 0.00 0.00 0.00 48 K 8.47 5.21 0.00 1.67 1.58 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.46 7.81 49 T 8.66 4.24 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 50 S 8.76 4.92 0.00 3.97 4.06 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 0.00 0.00 0.00 51 E 8.75 3.99 0.00 1.97 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 2.31 2.24 0.00 52 S 7.78 4.43 0.00 3.91 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 53 G 8.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.74 5.06 0.00 1.90 1.70 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 2.24 2.41 0.00 55 L 8.53 4.84 0.00 1.63 1.39 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.80 4.96 0.00 3.00 3.16 0.00 6.02 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.77 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 58 L 8.00 4.01 0.00 1.54 1.66 0.86 0.76 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 59 T 7.31 4.56 4.29 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 1.30 0.00 0.00 60 T 8.03 4.76 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 1.21 0.00 0.00 61 E 9.04 4.16 0.00 2.05 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 0.00 2.42 2.41 0.00 62 E 8.36 4.16 0.00 2.01 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 2.36 2.35 0.00 63 E 8.06 4.26 0.00 2.04 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 2.52 2.31 0.00 64 F 8.09 5.09 0.00 3.18 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 65 V 7.53 4.07 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 0.81 0.00 0.00 1.02 0.00 0.00 66 E 8.63 4.17 0.00 1.94 1.82 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 2.43 2.32 0.00 67 G 7.73 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 0.00 0.00 0.00 68 I 7.24 4.88 1.70 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 1.32 0.50 1.06 0.00 0.00 69 Y 8.62 5.08 0.00 1.94 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 70 K 9.08 4.76 0.00 0.79 0.74 0.00 1.20 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.10 7.81 71 V 8.89 4.49 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 1.16 0.00 0.00 72 E 9.38 4.95 0.00 2.02 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 0.00 2.35 2.03 0.00 73 I 8.59 4.64 1.73 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 1.16 0.73 0.78 0.00 0.00 74 D 9.10 5.05 0.00 2.65 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 75 T 7.78 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 76 K 8.04 4.14 0.00 2.17 1.95 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.57 7.81 77 S 8.15 4.12 0.00 3.95 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 78 Y 7.58 4.04 0.00 2.91 2.96 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 79 W 8.44 4.25 0.00 3.51 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 80 K 8.63 4.23 0.00 2.05 1.88 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.50 7.81 81 A 7.89 4.29 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 82 L 7.01 4.33 0.00 1.81 1.68 0.33 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.66 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 84 I 7.80 4.34 2.23 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 1.28 1.09 0.71 0.00 0.00 85 S 8.44 4.67 0.00 3.88 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 86 P 0.00 4.38 0.00 2.15 1.86 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 87 F 7.87 3.85 0.00 1.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.86 4.48 0.00 3.31 3.49 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.66 4.01 0.00 1.68 1.82 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 2.16 2.12 0.00 90 H 7.49 5.00 0.00 3.18 3.26 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.38 4.49 0.38 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 92 E 8.93 5.07 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 2.23 2.32 0.00 93 V 8.80 4.52 2.20 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 1.12 0.00 0.00 0.99 0.00 0.00 94 V 8.60 5.07 2.19 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 1.15 0.00 0.00 0.89 0.00 0.00 95 F 8.69 5.15 0.00 3.18 3.09 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 96 T 8.76 4.65 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 1.26 0.00 0.00 97 A 8.82 4.68 0.67 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 98 N 8.97 4.84 0.00 2.71 2.85 0.00 0.00 6.92 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 99 D 8.25 4.61 0.00 2.64 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 0.00 100 S 8.08 4.60 0.00 3.85 3.79 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 0.00 101 G 8.39 3.80 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 0.00 0.00 0.00 102 P 0.00 4.85 0.00 2.25 2.12 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 103 R 8.87 4.74 0.00 1.32 1.32 0.00 3.29 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 104 R 8.52 4.88 0.00 1.48 1.79 0.00 3.20 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 105 Y 9.09 4.98 0.00 2.92 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 0.00 106 T 8.85 4.96 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 1.18 0.00 0.00 107 I 8.52 4.71 1.84 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.90 0.89 0.00 0.00 108 A 8.70 5.06 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 0.00 109 A 8.94 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.27 5.09 0.00 1.76 1.59 0.98 0.71 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 0.00 111 L 9.05 5.49 0.00 1.80 1.99 0.51 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.49 5.24 0.00 3.79 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 0.00 113 P 0.00 3.17 0.00 2.08 1.72 0.00 3.32 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.63 0.00 114 Y 7.87 4.50 0.00 2.86 2.90 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 0.00 115 S 8.10 4.73 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 0.00 116 Y 7.68 5.47 0.00 3.13 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 0.00 117 S 9.25 4.84 0.00 3.90 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 0.00 118 T 8.50 5.31 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 1.36 0.00 0.00 119 T 8.83 4.83 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 1.23 0.00 0.00 120 A 8.63 5.20 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 0.00 121 V 8.51 4.29 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 0.97 0.00 0.00 0.91 0.00 0.00 122 V 8.38 4.67 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 0.46 0.00 0.00 0.92 0.00 0.00 123 T 8.40 4.74 4.19 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 1.15 0.00 0.00 124 N 8.31 4.45 0.00 2.57 2.61 0.00 0.00 6.85 7.56 0.00 0.00 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.