NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0888 8.2649 123.5823 51.8406 19.9967 175.2706 *2 E 4.1036 8.3254 116.0637 56.4118 30.9935 175.6421 3 I 4.4230 8.3933 126.6586 61.0533 38.0614 175.5874 4 R 4.7488 8.8518 122.9767 54.1990 33.6509 174.3359 5 V 4.2455 8.2700 118.8121 62.4125 32.1461 175.4830 6 F 4.2258 8.8981 129.6761 58.6761 39.8536 174.5125 7 R 4.4515 7.5771 121.9016 53.3152 33.9639 176.2732 8 Q 3.8966 8.5966 120.5999 59.7860 28.6482 179.0000 9 E 4.0063 7.9025 116.7043 58.6080 29.8231 177.9674 10 D 4.3812 7.6757 118.8110 55.0373 40.5817 177.9335 11 F 4.1698 7.8898 122.3150 61.6922 39.3551 177.1637 12 E 4.0603 8.2662 117.4466 59.1612 29.4589 178.1793 13 E 4.2760 7.8911 114.8546 56.9214 30.1506 178.0072 14 V 3.3267 7.2309 119.8219 65.4577 31.8168 177.7980 15 I 3.4716 6.6870 118.2868 64.6069 36.9440 178.3310 16 T 3.8503 7.5978 116.3251 66.7076 68.2344 176.2738 17 L 3.9925 7.3729 121.4113 58.0652 42.1143 178.9424 18 W 4.5884 8.6369 119.1946 59.9121 28.9091 178.4131 19 E 4.0164 8.6769 118.7445 59.6832 28.7883 179.6628 20 R 3.9785 8.0103 116.4551 58.9304 30.1729 177.9804 21 C 4.4261 8.1297 114.0957 59.0077 28.5234 173.4523 22 D 4.5051 7.9098 118.9275 55.0851 39.6990 174.4095 23 L 4.1148 8.0412 117.1273 55.5515 41.9465 177.3163 24 L 4.2472 7.6114 119.3558 54.1496 42.5382 176.4155 25 R 4.0805 7.7661 121.0114 53.2648 33.4954 174.5342 26 P 4.2099 0.0000 0.0000 64.3779 31.5236 177.0320 27 W 4.4939 7.0974 114.7678 56.9462 28.8492 175.5774 28 N 4.8922 7.3797 117.2974 51.1819 39.0354 173.7378 29 D 4.5091 9.0617 124.9239 53.0294 41.8302 174.5162 30 P 4.4957 0.0000 0.0000 66.0052 31.8532 178.6520 31 E 3.9606 8.3856 114.8504 57.4145 27.7080 178.2184 *33 D 4.5891 8.1770 121.2015 54.5786 43.1585 177.9843 34 I 3.8888 7.8781 119.7100 64.4186 36.7820 178.3555 35 E 4.1047 8.1729 118.2911 59.6105 29.7476 179.0865 36 R 4.1334 7.5388 118.0038 58.8773 29.9971 177.4503 37 K 4.5575 7.7935 118.2333 56.9779 32.9981 177.7853 *39 N 4.6014 8.1567 117.7536 53.2871 40.7513 174.9479 40 H 4.3703 8.1478 116.7664 56.5920 30.1981 174.6179 41 D 4.8910 7.7062 121.4340 54.3191 44.9875 176.3864 42 V 4.4065 7.8708 125.4914 61.6032 32.2768 177.8442 43 S 4.2379 8.6570 116.4410 61.1781 63.0091 175.1059 44 L 4.3362 8.0021 118.8511 54.8170 42.1608 175.4127 45 F 5.1623 8.3410 123.1996 57.5401 39.7817 174.3623 46 L 5.3248 9.3385 126.8177 53.2233 44.8853 176.2047 47 V 5.0568 8.9610 113.5718 59.6936 36.2387 174.4995 48 A 4.7068 9.1928 127.1551 50.7485 20.3559 175.5073 49 E 4.8433 8.4077 124.7202 54.6633 31.3498 175.2639 50 V 4.1771 8.5573 127.5704 61.3341 34.1791 175.3410 51 N 4.2646 9.7228 126.0557 54.5246 35.9504 175.2297 52 G 3.8396 8.2878 103.0301 45.4471 0.0000 172.8829 53 E 4.3941 7.8449 121.1735 53.5350 31.4819 175.1077 54 V 4.0049 8.3857 126.5180 63.5246 31.8942 175.5057 55 V 4.3386 8.8123 119.8371 61.0555 33.9487 175.5373 56 G 5.1552 7.6834 106.9401 45.2254 0.0000 172.3013 57 T 5.5179 8.6407 111.7324 59.7837 72.6346 172.4283 58 V 4.5860 8.8145 124.8108 60.9954 35.1174 174.2851 *60 G 4.2715 8.2283 107.6535 46.2733 0.0000 171.4722 61 G 4.3951 8.0633 103.7623 45.9628 0.0000 171.9514 62 Y 5.5765 8.7184 121.4971 55.7479 41.8792 174.2759 63 D 4.6135 8.6445 124.9721 53.0462 39.6888 177.0804 64 G 3.3997 7.7044 105.7898 46.0562 0.0000 172.8168 65 H 5.0708 7.4553 117.8473 56.6326 37.3764 173.8622 66 R 4.9696 9.4060 118.5864 54.1634 33.6236 174.9237 67 G 4.5174 9.1733 108.6673 45.9078 0.0000 172.7250 68 S 5.2674 9.3838 114.6995 55.7090 67.2047 172.7822 69 A 4.6958 7.6297 121.4137 50.8736 20.5640 174.8978 70 Y 4.6535 8.0618 118.5776 55.6707 43.2368 174.4181 71 Y 3.4521 8.0864 114.4991 58.9069 35.4991 171.6601 72 L 4.6503 7.4080 121.5190 54.8057 42.8165 176.4063 73 G 4.4745 9.1924 113.2933 44.9216 0.0000 171.3903 74 V 5.1362 8.3222 115.9708 59.0291 35.2741 175.0286 75 H 4.2828 9.5688 124.8842 56.2582 30.3566 174.1712 76 P 4.5089 0.0000 0.0000 64.5512 31.3156 176.7535 77 E 4.1693 8.2942 118.0812 58.0938 30.2956 176.6287 78 F 4.6838 8.4306 116.9413 57.6584 39.0580 177.0437 79 R 4.2950 8.1323 117.9317 56.7629 29.9208 177.1971 80 G 3.9938 7.6205 105.6073 45.6068 0.0000 174.5879 81 R 4.3802 8.0637 117.6876 55.5331 30.5278 176.5279 82 G 3.9650 8.1977 105.5394 46.8956 0.0000 176.2731 83 I 3.7237 7.8197 122.8098 64.0166 37.0754 178.0095 84 A 4.0241 7.9569 121.1957 55.2583 18.2741 179.2932 85 N 4.2848 8.1245 114.3423 56.3152 38.5235 177.3662 86 A 4.0763 7.8311 121.9416 54.7912 18.5139 179.6010 87 L 3.9907 8.3083 117.9679 58.0689 41.7119 179.5791 88 L 4.0391 8.0153 118.6916 58.0635 41.5170 179.1377 89 N 4.2668 8.2691 116.8145 56.6292 38.7198 176.5523 90 R 4.0922 7.7489 119.8630 58.4635 30.2956 178.0766 91 L 3.9874 7.9221 120.3387 58.1563 42.0508 178.8193 92 E 3.9838 8.5219 118.7534 59.2707 29.3107 179.3915 93 K 3.9130 7.8507 118.2944 59.4807 31.9412 179.4047 94 K 3.9231 8.2004 118.6385 59.4836 31.9295 179.2892 95 L 3.8225 8.2374 119.4951 57.9364 41.4819 179.7583 96 I 3.6030 7.9225 119.5060 64.2439 36.8087 178.3742 97 A 4.0290 8.0955 121.0221 54.0146 18.1978 178.7380 98 R 4.4830 7.5258 112.3098 55.8432 30.0041 177.0403 99 G 3.8520 7.9160 107.6929 45.4817 0.0000 173.3124 100 C 3.9093 7.4761 120.8365 58.6602 31.4152 171.6999 101 P 4.5201 0.0000 0.0000 63.2891 32.1032 175.6039 102 K 4.1996 7.4015 117.3510 55.7119 35.4218 173.0861 103 I 4.8931 8.4670 127.7179 59.5649 39.6818 174.3958 104 Q 4.8060 9.0286 127.4481 54.2144 32.0546 174.8228 105 I 4.4218 8.1744 122.8288 59.4631 41.0319 174.2467 106 N 4.7907 8.5316 121.3683 51.6886 39.8174 174.8780 107 V 4.4178 7.9584 116.0773 58.3593 34.7353 173.8389 108 P 4.2493 0.0000 0.0000 63.0368 31.7725 176.8168 109 E 3.9479 9.1156 122.9919 59.7135 29.4018 177.9225 110 D 4.6103 7.9768 114.2277 54.0364 40.1948 176.8393 111 N 4.6928 7.9338 120.0507 52.5071 37.3094 174.6499 112 D 4.7633 7.8726 127.6518 54.3692 42.0137 178.4881 *114 V 3.9653 7.8901 118.6115 62.7922 33.7044 175.8886 115 L 4.2484 8.2538 119.7447 58.0989 41.6498 181.7671 116 G 3.9046 8.1558 107.1113 45.7807 0.0000 175.0763 *118 Y 4.5666 8.0272 119.4582 57.7298 40.2505 177.7329 119 E 4.3437 8.3897 118.6414 58.8109 29.7294 179.2629 120 R 3.9916 8.1437 118.2671 58.7551 30.1858 177.0941 121 L 4.3191 7.7203 115.6107 54.8467 42.2028 177.1840 122 G 4.1388 7.9823 106.3075 45.3444 0.0000 173.6840 123 Y 4.2280 8.7349 118.3284 57.4506 38.6756 174.5071 124 E 4.8082 8.2112 118.8597 54.4706 32.9098 174.9805 125 H 4.2319 8.7095 117.3824 55.9458 29.3798 174.8906 126 A 4.6149 8.2819 126.4987 50.8797 20.8977 177.7032 127 D 4.7447 8.3917 122.6833 53.9181 39.4837 175.8380 128 V 4.5717 7.1337 111.5403 59.4624 36.1992 175.4274 129 L 4.6378 8.1972 120.9224 52.9345 43.4720 176.3774 130 S 4.3851 8.5773 118.2419 57.5502 62.9525 173.0072 131 L 4.8191 8.4407 127.4023 52.9028 44.1369 175.9770 132 G 4.1519 8.2350 109.7845 43.8298 0.0000 172.1655 133 K 4.3052 8.2597 121.0779 53.9939 34.2439 176.0954 134 R 3.9898 8.6368 127.2751 56.6677 30.5321 175.7474 135 L 4.5697 8.5588 123.8039 55.0235 43.9956 176.7459 136 I 4.5115 7.5163 118.1404 59.3258 39.7350 174.7440 137 E 4.4304 8.7283 125.0152 55.6425 30.5741 175.5803 138 D 5.0832 8.4284 121.2051 52.7990 43.4376 176.4942 139 E 4.2972 8.4545 119.8289 56.7580 30.4981 175.7590 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 A 8.26 4.09 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 *2 E 8.33 4.10 0.00 1.90 1.94 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 2.27 2.27 0.00 3 I 8.39 4.42 1.88 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 1.40 0.75 0.94 0.00 0.00 4 R 8.85 4.75 0.00 1.79 1.97 0.00 2.70 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 5 V 8.27 4.25 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 0.86 0.00 0.00 1.02 0.00 0.00 6 F 8.90 4.23 0.00 1.92 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 0.00 0.00 0.00 0.00 7 R 7.58 4.45 0.00 1.51 1.50 0.00 3.09 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 8 Q 8.60 3.90 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 9 E 7.90 4.01 0.00 1.82 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 2.23 2.29 0.00 10 D 7.68 4.38 0.00 1.80 2.42 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 11 F 7.89 4.17 0.00 3.39 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 12 E 8.27 4.06 0.00 2.12 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 2.46 2.58 0.00 13 E 7.89 4.28 0.00 2.08 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 0.00 2.39 2.21 0.00 14 V 7.23 3.33 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 -0.36 0.00 0.00 0.85 0.00 0.00 15 I 6.69 3.47 1.66 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.02 0.92 0.00 0.00 16 T 7.60 3.85 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 1.22 0.00 0.00 17 L 7.37 3.99 0.00 1.92 1.77 1.10 1.07 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 18 W 8.64 4.59 0.00 3.53 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 19 E 8.68 4.02 0.00 2.15 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 2.39 2.64 0.00 20 R 8.01 3.98 0.00 1.93 1.95 0.00 3.11 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 21 C 8.13 4.43 0.00 3.09 3.05 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 22 D 7.91 4.51 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.11 0.00 1.63 1.46 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.61 4.25 0.00 1.60 1.53 1.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.77 4.08 0.00 0.72 0.66 0.00 2.72 0.00 0.00 2.99 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 0.00 26 P 0.00 4.21 0.00 2.22 2.14 0.00 2.78 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 27 W 7.10 4.49 0.00 3.37 3.36 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 28 N 7.38 4.89 0.00 2.46 2.98 0.00 0.00 6.91 8.05 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 29 D 9.06 4.51 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 30 P 0.00 4.50 0.00 2.45 2.57 0.00 3.54 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 31 E 8.39 3.96 0.00 2.40 2.30 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 2.61 2.39 0.00 *33 D 8.18 4.59 0.00 2.94 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 34 I 7.88 3.89 1.90 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.20 0.96 0.00 0.00 35 E 8.17 4.10 0.00 2.05 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 2.80 2.59 0.00 36 R 7.54 4.13 0.00 2.19 2.00 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 37 K 7.79 4.56 0.00 1.96 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.21 1.62 7.81 *39 N 8.16 4.60 0.00 2.82 3.15 0.00 0.00 7.14 7.89 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 40 H 8.15 4.37 0.00 3.28 3.50 0.00 6.11 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.71 4.89 0.00 2.63 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 42 V 7.87 4.41 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 0.90 0.00 0.00 1.22 0.00 0.00 43 S 8.66 4.24 0.00 4.06 4.11 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 0.00 0.00 0.00 0.00 44 L 8.00 4.34 0.00 1.97 1.78 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.34 5.16 0.00 3.10 3.13 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 0.00 0.00 0.00 46 L 9.34 5.32 0.00 1.74 1.62 0.99 1.09 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 47 V 8.96 5.06 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 0.66 0.00 0.00 0.85 0.00 0.00 48 A 9.19 4.71 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 49 E 8.41 4.84 0.00 1.84 1.94 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 2.16 2.14 0.00 50 V 8.56 4.18 1.65 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 0.91 0.00 0.00 0.84 0.00 0.00 51 N 9.72 4.26 0.00 2.85 2.84 0.00 0.00 7.17 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 52 G 8.29 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 53 E 7.84 4.39 0.00 1.91 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 2.07 2.14 0.00 54 V 8.39 4.00 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 0.77 0.00 0.00 0.81 0.00 0.00 55 V 8.81 4.34 1.67 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 -0.39 0.00 0.00 0.67 0.00 0.00 56 G 7.68 5.16 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 0.00 0.00 0.00 57 T 8.64 5.52 4.73 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 1.30 0.00 0.00 58 V 8.81 4.59 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 0.91 0.00 0.00 1.01 0.00 0.00 *60 G 8.23 4.27 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 0.00 61 G 8.06 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 62 Y 8.72 5.58 0.00 2.81 2.84 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 63 D 8.64 4.61 0.00 2.75 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 64 G 7.70 3.40 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 65 H 7.46 5.07 0.00 2.97 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 9.41 4.97 0.00 1.81 1.79 0.00 3.31 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.82 0.00 67 G 9.17 4.52 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 0.00 68 S 9.38 5.27 0.00 3.50 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 69 A 7.63 4.70 1.12 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 0.00 0.00 70 Y 8.06 4.65 0.00 2.83 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 71 Y 8.09 3.45 0.00 2.90 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 72 L 7.41 4.65 0.00 1.82 1.64 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.19 4.47 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 0.00 0.00 0.00 74 V 8.32 5.14 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 0.81 0.00 0.00 1.02 0.00 0.00 75 H 9.57 4.28 0.00 3.44 3.67 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.51 0.00 2.22 2.17 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 77 E 8.29 4.17 0.00 1.59 1.67 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 2.41 2.26 0.00 78 F 8.43 4.68 0.00 3.12 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 79 R 8.13 4.30 0.00 2.01 1.98 0.00 3.20 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 80 G 7.62 3.99 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 0.00 0.00 0.00 81 R 8.06 4.38 0.00 1.87 2.00 0.00 3.43 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 82 G 8.20 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 83 I 7.82 3.72 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 0.93 0.00 0.00 84 A 7.96 4.02 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 85 N 8.12 4.28 0.00 2.92 2.88 0.00 0.00 7.03 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 86 A 7.83 4.08 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 87 L 8.31 3.99 0.00 1.89 1.79 1.01 0.54 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 88 L 8.02 4.04 0.00 1.73 1.83 0.69 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.27 4.27 0.00 3.22 2.95 0.00 0.00 6.87 7.74 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 90 R 7.75 4.09 0.00 2.02 2.07 0.00 3.22 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 91 L 7.92 3.99 0.00 1.89 1.89 0.98 1.02 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 92 E 8.52 3.98 0.00 2.07 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 2.36 2.57 0.00 93 K 7.85 3.91 0.00 1.89 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.77 7.81 94 K 8.20 3.92 0.00 1.96 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 95 L 8.24 3.82 0.00 1.82 1.55 0.92 0.66 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 96 I 7.92 3.60 1.95 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 1.40 0.71 0.88 0.00 0.00 97 A 8.10 4.03 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 98 R 7.53 4.48 0.00 1.97 2.02 0.00 3.11 0.00 0.00 3.37 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.29 0.00 99 G 7.92 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 0.00 100 C 7.48 3.91 0.00 1.54 2.47 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 0.00 101 P 0.00 4.52 0.00 2.20 2.15 0.00 3.97 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 102 K 7.40 4.20 0.00 1.76 1.59 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.28 7.81 103 I 8.47 4.89 1.89 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 1.46 1.07 0.92 0.00 0.00 104 Q 9.03 4.81 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 105 I 8.17 4.42 1.28 0.00 0.00 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 1.25 0.52 0.59 0.00 0.00 106 N 8.53 4.79 0.00 2.69 2.73 0.00 0.00 6.79 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 0.00 107 V 7.96 4.42 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 0.59 0.00 0.00 0.94 0.00 0.00 108 P 0.00 4.25 0.00 2.32 2.01 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 109 E 9.12 3.95 0.00 1.95 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 2.32 2.33 0.00 110 D 7.98 4.61 0.00 2.79 2.78 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 0.00 111 N 7.93 4.69 0.00 3.14 2.82 0.00 0.00 6.59 7.96 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 0.00 112 D 7.87 4.76 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 *114 V 7.89 3.97 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 1.00 0.00 0.00 0.94 0.00 0.00 115 L 8.25 4.25 0.00 2.08 1.77 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.16 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 *118 Y 8.03 4.57 0.00 3.13 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 0.00 119 E 8.39 4.34 0.00 2.10 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 2.37 2.25 0.00 120 R 8.14 3.99 0.00 2.01 1.97 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 121 L 7.72 4.32 0.00 2.19 1.99 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.98 4.14 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 0.00 123 Y 8.73 4.23 0.00 3.19 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 0.00 124 E 8.21 4.81 0.00 2.02 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 2.14 2.31 0.00 125 H 8.71 4.23 0.00 3.15 3.29 0.00 5.88 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 0.00 126 A 8.28 4.61 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 0.00 127 D 8.39 4.74 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.13 4.57 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 0.75 0.00 0.00 0.93 0.00 0.00 129 L 8.20 4.64 0.00 1.60 1.55 0.91 0.85 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 0.00 130 S 8.58 4.39 0.00 3.82 3.76 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 0.00 131 L 8.44 4.82 0.00 1.62 1.51 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.24 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 0.00 0.00 0.00 0.00 133 K 8.26 4.31 0.00 1.63 1.64 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 134 R 8.64 3.99 0.00 1.75 1.79 0.00 3.49 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 135 L 8.56 4.57 0.00 1.63 1.65 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.52 4.51 1.88 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 1.42 0.61 0.92 0.00 0.00 137 E 8.73 4.43 0.00 1.97 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 2.29 2.33 0.00 138 D 8.43 5.08 0.00 2.84 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 0.00 139 E 8.45 4.30 0.00 1.90 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 2.23 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.