NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9996 8.4181 114.7936 57.9543 64.4708 174.4163 2 L 4.2619 8.3476 122.3107 57.6945 40.3006 178.0408 3 L 4.0842 8.6719 121.7871 57.8437 42.1701 180.0300 4 E 4.0419 7.8568 117.1916 59.3518 29.3868 178.9015 5 F 4.6619 8.5678 120.9128 61.6446 39.4185 177.4098 6 G 3.5204 8.3199 105.1617 47.6868 0.0000 175.6123 7 K 4.0479 7.9890 121.5930 59.3085 32.2141 178.6949 8 M 4.1166 8.6782 119.0932 58.6025 32.1264 178.2691 9 I 3.5887 7.7405 120.0345 64.2122 37.1730 178.0598 10 L 4.3645 7.7769 122.3675 57.7581 41.6874 178.8468 11 E 3.9814 8.1060 117.1526 59.4609 29.4667 179.0574 12 E 4.1367 8.2296 117.7433 59.1813 29.7595 178.6149 13 T 4.4314 8.3142 107.3966 60.9683 70.4230 175.7669 14 G 3.7823 8.1463 110.0617 45.6392 0.0000 173.0395 *16 K 4.5934 7.4495 117.7317 55.9790 33.1648 174.9850 17 L 4.3100 8.1217 122.0772 54.1369 42.6834 177.6572 18 A 4.1170 8.9075 126.7665 55.2741 18.5397 177.5160 19 I 4.2728 6.9822 116.7405 56.9917 35.2133 172.1053 20 P 4.6622 0.0000 0.0000 63.0822 37.1697 175.0831 21 S 4.4417 8.2396 117.2437 60.8216 63.1395 175.3557 22 Y 4.7508 8.1139 114.0665 57.4600 39.2129 176.6192 23 S 4.5621 8.1308 114.9825 60.1625 63.9708 175.0091 24 S 4.5183 7.8247 116.9787 57.6742 63.3050 172.4134 25 Y 4.8635 8.1314 121.3320 58.0997 40.4489 174.9773 26 G 3.3325 7.9497 116.6089 47.0622 0.0000 173.5165 27 C 4.5517 8.9538 115.3169 57.6391 36.5271 174.3735 28 Y 4.3969 8.6203 115.3949 57.5579 39.8569 174.5104 29 C 4.7142 8.5545 118.8140 56.8413 40.2572 171.0262 30 G 4.0952 9.2490 116.8944 45.3855 0.0000 170.6986 31 G 3.7486 8.6792 113.6471 45.8176 0.0000 168.3327 32 C 4.9806 7.4807 115.6791 53.3644 43.9256 173.7324 33 G 3.9745 7.9078 111.2059 45.9717 0.0000 172.6604 34 S 4.7678 6.9961 111.7017 57.2389 65.7228 172.0844 35 G 3.7971 8.8118 105.1873 44.7755 0.0000 172.1410 36 T 4.4685 8.0196 114.7713 60.7643 70.0997 173.1164 37 P 4.5799 0.0000 0.0000 62.8399 31.8930 176.8118 38 K 3.8371 9.0843 123.4190 59.1543 32.1587 176.2625 39 D 4.4632 7.3318 115.6422 51.0741 42.1285 175.2295 40 A 3.9824 8.8379 119.9058 56.0717 17.9466 179.8310 41 T 4.0104 8.0196 113.4727 66.9731 68.6121 176.2715 42 D 4.5950 8.9063 120.1495 57.3747 41.1329 178.5036 43 R 3.9996 8.2400 118.9366 59.0722 29.9371 178.2516 44 C 4.2060 8.2312 116.6194 60.2746 37.1375 175.5342 45 C 4.3211 8.2534 117.8969 59.7633 39.6088 175.9000 46 F 3.7488 8.2614 122.3251 61.2967 38.9312 177.3815 47 V 3.3268 8.0016 117.9747 66.0569 31.2420 177.4368 48 H 3.8301 8.2432 118.1180 59.3134 29.6702 176.5898 49 C 4.0883 8.4030 118.6590 60.2169 39.7932 175.5288 50 C 4.0099 7.7182 117.2516 59.8995 34.3265 174.9719 51 C 4.2564 8.2978 120.4969 60.0068 44.1521 175.3650 52 Y 4.2823 7.8532 118.4130 60.9458 37.1769 178.6087 53 G 3.6340 7.8575 105.7525 47.2608 0.0000 174.7524 54 N 4.6300 7.7625 116.3871 53.8551 40.0694 175.1879 55 L 4.7813 7.4766 120.0498 52.1532 41.8712 174.3411 56 P 4.1901 0.0000 0.0000 65.7991 32.1953 178.4194 *59 D 4.9876 7.8569 115.1978 54.3430 42.5605 175.4522 *61 C 5.3208 7.6615 115.6915 57.3309 42.5960 172.7935 *67 N 4.9048 7.9719 116.7665 52.5389 38.5843 173.3171 68 P 4.0161 0.0000 0.0000 65.1833 32.0173 179.1818 69 K 4.1337 7.9971 117.3546 58.3071 32.2414 178.4092 70 S 4.5747 7.8259 110.7433 58.1072 64.8121 173.5636 71 D 4.4933 8.0480 121.7047 53.6464 41.3904 175.3261 72 R 4.4834 8.4401 125.8665 54.7819 31.5785 175.1446 73 Y 4.8783 8.0013 120.1968 55.0588 40.8808 174.6098 74 K 4.9720 8.5661 118.5295 54.9202 35.1236 175.1587 75 Y 5.5301 8.3403 120.7609 55.6149 41.2811 173.8659 76 K 4.6663 9.2021 118.8253 55.3270 36.8338 174.9241 77 R 4.9353 8.5460 119.9051 54.7934 31.9630 176.6546 78 V 3.7933 9.3087 125.6343 62.1137 30.5007 175.4409 79 N 4.3555 8.1047 120.1177 53.4224 34.8936 173.4497 80 G 4.3472 8.6268 120.7532 46.6279 0.0000 171.8826 81 A 4.1332 8.0287 124.2146 51.4973 19.0113 176.1222 82 I 4.6170 8.1500 122.1659 60.0407 38.8098 175.3773 83 V 4.3766 8.8428 127.4269 61.0997 33.9603 173.8028 84 C 4.9669 8.8659 126.1728 56.9276 40.6987 173.4291 85 E 4.6086 9.0305 123.9341 54.7124 31.1839 176.4368 86 K 3.9552 8.5847 123.4472 56.8952 33.3393 175.5276 *88 G 4.3912 8.3096 115.0156 45.4976 0.0000 172.4309 89 T 4.2487 8.6058 113.8907 60.8989 71.1888 175.6190 90 S 4.0694 8.5218 115.0002 61.8525 62.2211 176.7980 91 C 4.2616 8.1062 118.4955 60.1154 40.9070 175.7347 92 E 4.0062 8.0706 119.6643 59.4778 29.0964 179.2293 93 N 4.2944 8.2978 116.4379 56.4821 38.6366 177.7773 94 R 3.8991 7.9287 119.4164 59.1194 30.0956 179.1842 95 I 3.6622 8.0634 120.1094 64.4693 37.0577 177.5563 96 C 3.0006 7.8018 119.1793 59.4038 40.1464 175.5510 97 E 3.7576 7.8969 119.9042 59.3895 29.0889 178.7453 98 C 4.1842 8.0501 116.6591 60.0583 40.5178 175.9259 99 D 3.9572 8.0614 120.5005 57.0093 40.4120 178.5468 100 K 3.7290 8.2180 120.3487 59.5433 32.0447 178.5982 101 A 3.8766 7.8687 120.6247 55.0000 18.1994 179.4764 102 A 3.4364 7.7300 118.6773 55.0689 18.4091 179.6838 103 A 3.9374 8.1448 119.4955 55.3743 18.3444 180.0062 104 I 3.6349 7.7015 118.3092 64.5196 37.0575 177.7928 105 C 4.1641 8.2330 119.6291 59.6439 43.1926 175.5972 106 F 4.4700 7.7993 118.5988 60.7635 38.3534 177.2883 107 R 4.0789 8.0912 118.3139 59.5245 29.6786 178.3074 108 Q 4.1993 8.3629 118.2673 57.9606 29.3157 176.2130 109 N 5.0654 7.6402 116.1946 52.9300 39.5747 176.4103 110 L 4.1638 7.8393 121.3731 57.8235 41.7733 179.3316 111 N 4.5045 8.3044 114.9241 54.9956 37.2980 175.4593 112 T 4.5480 7.6441 107.0514 61.0565 69.5364 173.6592 113 Y 4.0928 7.9793 124.7071 58.1689 39.4471 174.8300 114 S 4.9287 8.8569 121.1720 56.0811 65.1058 175.0188 115 G 3.7756 8.8899 116.8142 48.2399 0.0000 174.9099 116 K 4.0083 7.3643 116.3942 58.5733 32.5889 177.0188 117 Y 4.4818 7.4612 117.1120 58.0935 38.5554 175.6130 118 M 4.3777 7.7003 120.4367 56.2658 32.6516 175.8623 119 L 3.6931 8.3500 120.3913 55.7074 40.1261 174.8131 120 Y 4.1145 8.0249 118.1686 56.7059 39.8434 173.4261 121 P 4.3623 0.0000 0.0000 62.3377 32.3464 176.6106 122 D 4.2443 9.0004 122.8251 57.2300 41.2268 178.1012 *124 F 4.7244 7.8366 111.2738 56.5445 39.5436 175.4585 125 L 3.7052 6.7959 118.8296 55.4135 41.5558 176.7496 126 C 4.5667 7.9422 117.8541 55.1085 38.8612 171.3662 127 K 4.4880 9.3468 124.0380 53.4989 33.4919 176.0692 128 G 4.1236 7.6360 114.5167 45.0669 0.0000 170.5224 129 E 4.5738 8.0832 116.6986 54.2954 31.7232 174.8952 130 L 4.4371 8.4366 125.0381 53.0734 44.3084 175.0682 131 K 4.3132 8.4780 127.4716 55.7660 33.4460 177.1550 *133 C 4.8616 8.5184 120.3710 57.4838 41.5345 173.7629 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 S 8.42 5.00 0.00 4.13 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 2 L 8.35 4.26 0.00 2.15 2.13 1.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.67 4.08 0.00 1.70 1.77 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.86 4.04 0.00 2.11 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 2.25 2.16 0.00 5 F 8.57 4.66 0.00 3.31 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 6 G 8.32 3.52 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 7 K 7.99 4.05 0.00 1.93 2.11 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.51 7.81 8 M 8.68 4.12 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 9 I 7.74 3.59 1.79 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.03 0.61 0.00 0.00 10 L 7.78 4.36 0.00 1.76 1.84 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.11 3.98 0.00 2.19 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 2.40 2.79 0.00 12 E 8.23 4.14 0.00 2.15 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 2.47 2.45 0.00 13 T 8.31 4.43 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 1.29 0.00 0.00 14 G 8.15 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 *16 K 7.45 4.59 0.00 1.84 1.61 0.00 1.50 0.00 0.00 0.94 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.25 7.81 17 L 8.12 4.31 0.00 1.69 1.58 0.91 0.86 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 A 8.91 4.12 1.26 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 19 I 6.98 4.27 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.95 0.00 0.00 20 P 0.00 4.66 0.00 1.96 1.89 0.00 3.70 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 1.77 1.94 0.00 21 S 8.24 4.44 0.00 3.72 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 22 Y 8.11 4.75 0.00 2.86 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 23 S 8.13 4.56 0.00 4.09 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 24 S 7.82 4.52 0.00 4.03 4.10 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 0.00 0.00 0.00 0.00 25 Y 8.13 4.86 0.00 3.18 2.88 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 26 G 7.95 3.33 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 0.00 27 C 8.95 4.55 0.00 3.02 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 28 Y 8.62 4.40 0.00 3.52 3.15 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 29 C 8.55 4.71 0.00 3.59 3.59 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 0.00 30 G 9.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.68 3.75 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 0.00 0.00 0.00 32 C 7.48 4.98 0.00 3.24 3.29 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 33 G 7.91 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 34 S 7.00 4.77 0.00 4.00 3.89 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 35 G 8.81 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 36 T 8.02 4.47 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 1.12 0.00 0.00 37 P 0.00 4.58 0.00 1.87 1.92 0.00 3.38 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.52 0.00 38 K 9.08 3.84 0.00 0.79 0.75 0.00 1.14 0.00 0.00 0.91 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 0.45 7.81 39 D 7.33 4.46 0.00 2.79 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 40 A 8.84 3.98 1.41 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 41 T 8.02 4.01 4.32 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 1.04 0.00 0.00 42 D 8.91 4.60 0.00 2.93 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 43 R 8.24 4.00 0.00 2.09 1.95 0.00 3.11 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 44 C 8.23 4.21 0.00 3.20 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 45 C 8.25 4.32 0.00 3.37 3.51 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 46 F 8.26 3.75 0.00 2.54 3.01 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 47 V 8.00 3.33 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 0.88 0.00 0.00 1.04 0.00 0.00 48 H 8.24 3.83 0.00 3.07 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.40 4.09 0.00 2.93 3.10 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 0.00 0.00 0.00 0.00 50 C 7.72 4.01 0.00 2.79 2.92 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 0.00 0.00 0.00 51 C 8.30 4.26 0.00 2.94 2.97 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 52 Y 7.85 4.28 0.00 3.04 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 53 G 7.86 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 0.00 0.00 0.00 54 N 7.76 4.63 0.00 2.86 2.85 0.00 0.00 6.78 7.13 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 55 L 7.48 4.78 0.00 1.60 1.53 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.19 0.00 2.15 2.10 0.00 3.60 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 2.10 2.11 0.00 *59 D 7.86 4.99 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 *61 C 7.66 5.32 0.00 3.04 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 *67 N 7.97 4.90 0.00 2.73 2.77 0.00 0.00 7.61 8.03 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 68 P 0.00 4.02 0.00 1.17 0.50 0.00 3.32 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 69 K 8.00 4.13 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.97 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.43 7.81 70 S 7.83 4.57 0.00 3.93 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 71 D 8.05 4.49 0.00 2.75 2.63 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 72 R 8.44 4.48 0.00 1.77 1.80 0.00 3.15 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 73 Y 8.00 4.88 0.00 3.04 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 74 K 8.57 4.97 0.00 1.75 1.92 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.34 5.53 0.00 3.10 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 76 K 9.20 4.67 0.00 1.81 1.88 0.00 1.30 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.44 7.81 77 R 8.55 4.94 0.00 1.75 1.97 0.00 3.72 0.00 0.00 3.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 78 V 9.31 3.79 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 1.01 0.00 0.00 0.96 0.00 0.00 79 N 8.10 4.36 0.00 2.95 3.12 0.00 0.00 6.55 7.00 0.00 0.00 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 G 8.63 4.35 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 0.00 81 A 8.03 4.13 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 82 I 8.15 4.62 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.76 0.00 0.00 83 V 8.84 4.38 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.97 0.00 2.96 2.97 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 85 E 9.03 4.61 0.00 2.06 1.91 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 2.34 2.32 0.00 86 K 8.58 3.96 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.45 7.81 *88 G 8.31 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 0.00 0.00 0.00 0.00 89 T 8.61 4.25 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 90 S 8.52 4.07 0.00 3.90 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 91 C 8.11 4.26 0.00 3.00 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 92 E 8.07 4.01 0.00 2.32 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 2.55 2.57 0.00 93 N 8.30 4.29 0.00 2.87 2.83 0.00 0.00 7.05 7.28 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 94 R 7.93 3.90 0.00 1.83 1.93 0.00 3.07 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 95 I 8.06 3.66 1.91 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 1.23 0.69 0.97 0.00 0.00 96 C 7.80 3.00 0.00 2.13 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 97 E 7.90 3.76 0.00 2.10 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 0.00 2.44 2.43 0.00 98 C 8.05 4.18 0.00 3.21 2.94 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 99 D 8.06 3.96 0.00 2.70 2.85 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 0.00 100 K 8.22 3.73 0.00 1.66 1.89 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.87 3.88 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 0.00 102 A 7.73 3.44 1.07 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 0.00 0.00 103 A 8.14 3.94 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 0.00 104 I 7.70 3.63 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.87 0.00 0.00 105 C 8.23 4.16 0.00 2.94 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 0.00 106 F 7.80 4.47 0.00 3.06 2.82 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 0.00 0.00 0.00 107 R 8.09 4.08 0.00 1.97 2.12 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.36 4.20 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.64 5.07 0.00 2.84 2.85 0.00 0.00 6.83 8.04 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 0.00 110 L 7.84 4.16 0.00 1.80 1.75 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.50 0.00 2.87 3.00 0.00 0.00 5.84 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 0.00 112 T 7.64 4.55 4.32 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 1.26 0.00 0.00 113 Y 7.98 4.09 0.00 3.06 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 0.00 114 S 8.86 4.93 0.00 3.91 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 0.00 115 G 8.89 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 0.00 116 K 7.36 4.01 0.00 1.68 1.74 0.00 1.27 0.00 0.00 1.44 0.00 0.00 2.59 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.78 0.28 7.81 117 Y 7.46 4.48 0.00 2.00 1.61 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 0.00 118 M 7.70 4.38 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.71 0.00 119 L 8.35 3.69 0.00 1.79 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.02 4.11 0.00 3.08 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 0.00 121 P 0.00 4.36 0.00 2.06 2.16 0.00 2.67 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 2.02 2.02 0.00 122 D 9.00 4.24 0.00 2.71 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 *124 F 7.84 4.72 0.00 3.22 3.12 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 0.00 125 L 6.80 3.71 0.00 1.13 1.49 0.30 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.94 4.57 0.00 3.06 3.29 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 0.00 127 K 9.35 4.49 0.00 1.66 1.68 0.00 1.94 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.35 7.81 128 G 7.64 4.12 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 0.00 129 E 8.08 4.57 0.00 2.04 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 2.18 2.27 0.00 130 L 8.44 4.44 0.00 1.33 1.10 -0.34 0.49 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 0.00 131 K 8.48 4.31 0.00 1.87 1.69 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.50 7.81 *133 C 8.52 4.86 0.00 2.99 2.94 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 * Residues marked with a * may have inaccurate shift predictions.