NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 T 4.2015 8.1749 112.8997 59.5809 69.8765 173.6881 22 P 4.0662 0.0000 0.0000 60.3283 32.1550 172.7724 23 E 4.0955 8.6103 121.9250 56.4352 31.9021 175.0879 24 V 4.8576 8.2468 124.6470 61.0895 33.9049 174.7272 25 K 4.8365 8.7158 126.1656 53.7526 36.3830 174.3860 26 P 5.0308 0.0000 0.0000 61.9470 32.2317 177.6079 27 L 3.9798 8.9200 123.0919 57.9089 41.8956 179.4127 28 K 4.6039 8.4882 119.9366 59.1954 31.9488 178.8221 29 S 4.1858 7.9566 114.7341 60.6283 63.1010 175.7917 30 L 4.1576 7.6279 122.8943 57.1128 42.3051 177.5244 31 L 4.5055 8.0662 115.3889 53.4161 43.2130 177.1094 32 G 3.9046 8.2584 106.7990 44.7277 0.0000 173.7781 33 D 4.6084 8.4086 116.8732 55.6688 40.9015 177.4458 34 S 4.6946 7.7224 113.1064 57.3707 63.4690 173.8971 35 A 3.8612 8.0518 122.7324 52.9277 18.3543 176.8627 36 P 4.4783 0.0000 0.0000 62.5689 32.1869 176.0866 37 T 4.5983 8.0146 110.2007 60.3082 70.5031 174.1970 38 L 4.3117 8.2465 123.4075 54.7436 42.6799 175.7569 39 H 4.8305 9.2181 121.5113 54.1154 30.6753 172.8427 40 L 4.7139 8.4435 125.4881 53.4669 44.7880 177.6968 *43 G 3.9737 8.4552 107.2995 47.0198 0.0000 171.7824 44 M 4.2426 7.4265 116.8980 52.6162 35.5543 175.0049 45 A 3.4779 7.7622 125.5546 54.9117 19.4795 177.4906 46 I 3.7974 6.8091 117.5975 60.5498 37.0029 175.7924 47 L 4.2882 8.7577 128.9828 57.2704 43.0261 177.0822 48 F 5.3900 7.7308 117.5127 57.3573 42.5964 172.8264 49 A 5.2672 8.2338 126.0682 50.8081 23.2145 175.2468 50 V 4.6307 8.4388 117.5801 60.4641 35.4575 173.0398 51 V 4.4536 8.7447 122.8972 61.0037 33.8964 174.2135 52 A 4.8463 8.3926 128.4013 50.1197 23.3534 174.4596 53 R 4.4389 8.7055 121.1874 54.0906 31.8255 176.0165 54 G 3.7322 7.9648 116.2836 47.5403 0.0000 174.0746 55 T 4.0480 8.5348 118.9052 62.2454 67.3882 174.0437 56 T 4.2372 8.0914 119.0315 62.4271 68.6296 174.3067 57 I 3.8100 7.8681 128.4542 61.3146 38.1028 176.7927 58 L 4.1978 8.8303 124.5237 56.2879 43.6462 176.3930 59 A 5.2082 7.4327 117.5656 51.0838 22.4509 175.3658 60 K 4.8419 9.1324 118.4404 56.4326 36.2960 174.8550 61 H 4.5822 8.7199 119.8851 54.8221 33.5761 171.6934 62 A 5.2575 8.1200 127.0535 50.3058 20.6430 176.2879 63 W 4.6765 9.4508 122.0479 56.9270 29.9093 175.6403 64 C 4.7253 7.8824 113.2267 57.2238 31.3178 173.5328 65 G 3.7806 8.5538 109.4794 44.9959 0.0000 172.6409 66 G 3.9032 7.5810 107.3577 43.2975 0.0000 173.6472 67 N 4.5023 7.0600 119.4024 51.3286 36.3287 174.8090 68 F 4.3026 7.0836 122.1360 60.7215 40.4040 178.5956 69 L 3.9990 7.8464 120.3662 57.6943 41.4166 178.7148 70 E 3.8613 8.0564 118.6237 59.4888 29.6201 178.8361 71 V 3.4982 7.6636 117.5228 66.3161 31.5353 177.9201 72 T 3.9140 7.8383 115.1575 66.6850 68.2727 176.5309 73 E 3.9232 8.3039 120.4871 59.3981 29.2351 179.0058 74 Q 3.9440 7.9588 118.1452 59.4183 28.8817 179.6368 75 I 3.6427 7.6802 120.3895 64.1453 36.9426 178.4993 76 L 3.8917 7.9546 119.0249 57.4606 41.4631 179.0411 77 A 4.0632 8.2957 120.5736 54.2473 18.3131 178.7899 78 K 4.3272 7.0970 115.2048 56.1254 33.8793 177.2038 79 I 4.0127 6.8352 112.1142 59.8068 38.2556 173.9213 80 P 4.6692 0.0000 0.0000 61.9431 32.4785 176.1405 81 S 4.4276 8.4130 112.3006 58.8938 63.4731 174.4924 82 E 4.1344 7.9439 120.8988 56.3494 29.8258 176.2734 83 N 4.6489 8.6372 119.1161 54.4805 39.2009 173.6975 84 N 4.5761 8.6810 119.8533 53.1464 43.4526 172.9918 85 K 5.0413 8.2450 120.6276 54.7589 36.0014 175.3657 86 L 4.2572 7.9976 123.4371 54.8549 46.4462 173.2342 87 T 5.3140 8.1528 117.6742 62.1812 72.8554 172.8824 88 Y 6.0514 9.6937 123.2649 55.5161 41.6531 174.7407 89 S 5.4827 8.7502 115.4779 57.2526 66.6462 172.3945 90 H 4.7750 9.9641 121.4782 55.7444 33.3751 173.1236 91 G 3.6834 8.9069 114.4559 47.3556 0.0000 173.3657 92 N 4.7703 8.4587 122.0978 52.9967 38.8146 173.3714 93 Y 5.2810 8.1653 113.9352 56.0095 42.3577 174.2532 94 L 5.2118 8.6668 121.2233 53.1623 45.1669 175.8555 95 F 5.1372 9.8859 122.2890 56.3952 40.8074 173.7630 96 H 5.6338 9.2636 121.9854 54.4742 31.2749 173.9033 97 Y 5.4890 8.7603 118.6829 56.0078 41.9358 173.3966 98 I 5.1343 9.2616 122.1377 59.8826 40.2166 174.0984 99 C 5.4504 9.3057 127.4196 57.9886 34.5237 172.4954 100 Q 4.7581 9.3798 123.4044 56.1017 32.7444 173.8675 101 D 4.3719 9.6716 128.2460 55.6428 37.6513 175.0378 102 R 4.0498 7.9334 115.2380 56.3366 28.8670 176.0727 103 I 4.4443 7.7331 120.2677 59.8572 39.1414 174.7238 104 V 4.5757 8.4574 127.4132 61.5550 33.4327 173.9689 105 Y 4.8095 9.4939 126.7115 56.4212 39.6988 174.4213 106 L 5.6533 8.8332 127.0585 53.4694 45.5378 174.8824 107 C 5.4158 9.4358 118.4808 57.0784 33.8765 172.5810 108 I 4.8775 8.7689 121.1427 59.8097 39.6153 174.9308 109 T 5.2897 8.7928 117.0318 59.0520 72.4871 172.4113 110 D 5.1360 8.3514 121.9918 52.9283 42.7656 175.9224 111 D 4.4656 9.0765 127.3790 58.0100 41.1452 179.4367 112 D 4.3405 7.7753 115.8704 56.5276 42.7644 177.9958 113 F 4.0574 8.5460 115.5179 57.6600 37.9580 177.6659 *116 S 4.2723 8.8675 124.2226 59.0595 65.1322 174.1747 117 R 4.5377 7.8846 115.9086 53.8632 29.5214 175.5298 118 A 3.9020 8.3932 124.5837 55.4344 18.6462 179.5497 119 F 4.0368 8.1917 115.5870 60.2952 39.0150 178.1214 120 S 4.1365 8.1387 113.7119 61.3536 63.0197 175.7651 121 F 4.1175 8.0819 124.4708 61.2585 38.9719 177.2534 122 L 3.7526 8.1462 118.3338 57.5434 41.4245 179.1929 123 N 4.1909 8.3591 116.6782 56.3579 38.5243 176.9125 124 E 3.8695 8.1639 119.8584 59.6758 29.6209 179.6228 125 V 3.6233 7.4678 117.8358 65.8445 31.4489 177.7634 126 K 2.7803 7.8488 119.4413 59.0277 31.8875 178.5304 127 K 3.8678 7.7539 119.3648 59.7185 32.1891 178.8099 128 R 3.9966 8.0114 118.2922 59.3768 29.9968 178.9366 129 F 4.0485 8.4127 120.3805 61.3354 39.3311 177.4063 130 Q 4.1229 8.4815 117.8794 59.1995 28.2958 178.5758 131 T 3.7887 7.7206 113.2438 65.4973 67.4709 176.1171 132 T 3.7840 7.6359 116.6171 65.5302 68.7083 175.0619 133 Y 4.6298 7.7266 116.4492 56.3837 41.7000 177.4512 134 G 3.8471 7.8137 109.2726 46.4597 0.0000 176.2474 135 S 4.4253 8.5984 119.7986 59.3304 63.0640 175.1900 136 R 3.8423 8.1214 123.2185 59.7298 29.4057 177.8985 137 A 4.1312 7.7471 119.4082 55.2117 18.4194 179.2598 138 Q 4.1255 8.1704 116.0420 58.0723 28.8761 177.1123 139 T 4.3297 7.5678 107.9565 62.0597 70.8325 174.6741 140 A 3.8920 8.2583 123.7683 52.0329 19.0209 177.2629 141 L 4.1165 8.4266 121.2217 54.0173 42.4121 175.1833 142 P 4.3910 0.0000 0.0000 64.6568 31.7409 176.2847 143 Y 3.5861 8.7975 118.4318 58.4160 36.0874 171.3834 144 A 3.9655 7.9607 124.3360 54.9023 18.6392 178.9239 145 M 4.4375 7.8017 113.7768 55.3310 32.6344 177.5443 146 N 4.4209 8.6947 120.1225 57.0489 38.9078 177.1872 147 S 4.1606 8.0564 114.6036 61.6413 63.0753 176.2695 148 E 4.1761 8.1583 120.6210 59.5792 29.6336 178.9492 149 F 4.0461 8.9130 120.6747 60.7092 39.4889 177.1411 150 S 4.1501 8.5318 113.7973 61.4720 62.1136 176.2763 151 S 4.0834 7.7068 116.5474 61.1990 62.8088 176.5995 152 V 3.3928 7.3981 121.4573 65.5882 30.9313 177.8307 153 L 3.9803 7.3432 117.7087 57.7834 41.6700 179.0383 154 A 4.2205 7.8167 120.4837 54.9982 18.0202 179.5006 155 A 3.9687 7.9202 118.5617 55.3828 18.6147 179.2951 156 Q 4.1976 7.9772 115.7731 57.2961 30.5533 176.5386 157 L 4.2765 7.6911 126.0025 53.0881 40.5772 177.0648 158 K 4.0997 7.6281 123.5397 55.0098 32.4230 176.1935 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 21 T 8.17 4.20 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 22 P 0.00 4.07 0.00 1.66 1.62 0.00 3.13 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.41 0.00 23 E 8.61 4.10 0.00 1.97 1.71 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 2.32 2.27 0.00 24 V 8.25 4.86 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 0.93 0.00 0.00 0.97 0.00 0.00 25 K 8.72 4.84 0.00 1.51 1.75 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 26 P 0.00 5.03 0.00 2.27 2.06 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 27 L 8.92 3.98 0.00 1.94 1.60 0.30 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.49 4.60 0.00 2.03 2.10 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.41 7.81 29 S 7.96 4.19 0.00 4.14 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 30 L 7.63 4.16 0.00 1.22 1.35 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.07 4.51 0.00 1.42 1.54 0.73 0.88 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 32 G 8.26 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 33 D 8.41 4.61 0.00 2.68 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 S 7.72 4.69 0.00 3.94 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 35 A 8.05 3.86 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 36 P 0.00 4.48 0.00 2.00 1.96 0.00 3.55 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 1.96 2.02 0.00 37 T 8.01 4.60 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 1.28 0.00 0.00 38 L 8.25 4.31 0.00 1.09 1.26 0.34 1.05 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 39 H 9.22 4.83 0.00 3.04 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.44 4.71 0.00 1.59 1.55 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.46 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 44 M 7.43 4.24 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 45 A 7.76 3.48 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 I 6.81 3.80 0.59 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.11 0.21 0.00 0.00 47 L 8.76 4.29 0.00 1.57 1.52 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.73 5.39 0.00 1.71 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 0.00 0.00 0.00 49 A 8.23 5.27 1.55 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 0.00 0.00 50 V 8.44 4.63 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 0.69 0.00 0.00 0.97 0.00 0.00 51 V 8.74 4.45 1.37 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 -0.68 0.00 0.00 0.58 0.00 0.00 52 A 8.39 4.85 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 53 R 8.71 4.44 0.00 1.77 1.69 0.00 3.22 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 54 G 7.96 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 0.00 0.00 0.00 55 T 8.53 4.05 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 1.17 0.00 0.00 56 T 8.09 4.24 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 1.08 0.00 0.00 57 I 7.87 3.81 0.99 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 1.44 1.12 0.72 0.00 0.00 58 L 8.83 4.20 0.00 1.37 1.63 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.43 5.21 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 60 K 9.13 4.84 0.00 1.67 1.80 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.48 7.81 61 H 8.72 4.58 0.00 2.89 2.45 0.00 5.55 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 62 A 8.12 5.26 1.51 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 0.00 0.00 63 W 9.45 4.68 0.00 3.33 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 64 C 7.88 4.73 0.00 3.16 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 65 G 8.55 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 66 G 7.58 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 67 N 7.06 4.50 0.00 2.68 2.70 0.00 0.00 6.08 7.43 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 68 F 7.08 4.30 0.00 2.11 1.58 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 69 L 7.85 4.00 0.00 1.69 1.78 1.02 1.14 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 70 E 8.06 3.86 0.00 1.98 1.88 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 2.33 2.34 0.00 71 V 7.66 3.50 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 0.79 0.00 0.00 0.97 0.00 0.00 72 T 7.84 3.91 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 1.41 0.00 0.00 73 E 8.30 3.92 0.00 2.12 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 2.53 2.51 0.00 74 Q 7.96 3.94 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 75 I 7.68 3.64 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 0.74 0.00 0.00 76 L 7.95 3.89 0.00 1.65 1.81 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.30 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 78 K 7.10 4.33 0.00 1.53 1.78 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.47 7.81 79 I 6.84 4.01 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.40 0.85 0.00 0.00 80 P 0.00 4.67 0.00 2.24 2.12 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 81 S 8.41 4.43 0.00 4.01 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 82 E 7.94 4.13 0.00 2.03 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 2.35 2.37 0.00 83 N 8.64 4.65 0.00 2.64 2.83 0.00 0.00 6.74 8.00 0.00 0.00 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 N 8.68 4.58 0.00 2.89 2.71 0.00 0.00 6.61 6.80 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 85 K 8.25 5.04 0.00 1.45 1.53 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 86 L 8.00 4.26 0.00 1.43 0.70 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.15 5.31 4.42 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 1.23 0.00 0.00 88 Y 9.69 6.05 0.00 3.09 2.93 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 89 S 8.75 5.48 0.00 3.98 4.05 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 90 H 9.96 4.78 0.00 3.42 3.60 0.00 5.75 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 91 G 8.91 3.68 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 0.00 0.00 0.00 92 N 8.46 4.77 0.00 2.56 1.92 0.00 0.00 7.44 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 93 Y 8.17 5.28 0.00 3.03 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 94 L 8.67 5.21 0.00 1.61 1.41 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.89 5.14 0.00 3.12 3.17 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 0.00 0.00 0.00 96 H 9.26 5.63 0.00 2.79 2.54 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.76 5.49 0.00 3.15 3.11 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 98 I 9.26 5.13 2.08 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 1.41 1.19 1.04 0.00 0.00 99 C 9.31 5.45 0.00 3.19 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 0.00 100 Q 9.38 4.76 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.94 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 101 D 9.67 4.37 0.00 2.90 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 0.00 102 R 7.93 4.05 0.00 2.06 2.10 0.00 3.11 0.00 0.00 3.33 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 103 I 7.73 4.44 1.81 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 1.29 1.00 0.22 0.00 0.00 104 V 8.46 4.58 1.88 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 0.83 0.00 0.00 0.81 0.00 0.00 105 Y 9.49 4.81 0.00 3.01 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 0.00 106 L 8.83 5.65 0.00 1.79 1.56 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 107 C 9.44 5.42 0.00 3.12 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 0.00 108 I 8.77 4.88 1.76 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.03 0.64 0.00 0.00 109 T 8.79 5.29 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 1.10 0.00 0.00 110 D 8.35 5.14 0.00 2.95 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 0.00 111 D 9.08 4.47 0.00 2.73 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 0.00 112 D 7.78 4.34 0.00 2.77 2.46 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 0.00 113 F 8.55 4.06 0.00 2.98 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 *116 S 8.87 4.27 0.00 3.91 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 0.00 117 R 7.88 4.54 0.00 1.84 1.86 0.00 3.41 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 118 A 8.39 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.19 4.04 0.00 3.20 3.17 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 0.00 0.00 0.00 120 S 8.14 4.14 0.00 4.09 4.17 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 0.00 0.00 0.00 121 F 8.08 4.12 0.00 3.12 3.30 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 0.00 122 L 8.15 3.75 0.00 1.64 1.67 0.63 1.05 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 0.00 123 N 8.36 4.19 0.00 2.88 2.84 0.00 0.00 6.97 8.13 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 0.00 124 E 8.16 3.87 0.00 1.93 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 2.57 2.49 0.00 125 V 7.47 3.62 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 1.25 0.00 0.00 0.38 0.00 0.00 126 K 7.85 2.78 0.00 1.16 1.62 0.00 1.60 0.00 0.00 1.33 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 0.50 7.81 127 K 7.75 3.87 0.00 2.00 1.77 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 128 R 8.01 4.00 0.00 2.18 2.21 0.00 3.34 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 129 F 8.41 4.05 0.00 3.06 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 0.00 130 Q 8.48 4.12 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 131 T 7.72 3.79 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 1.26 0.00 0.00 132 T 7.64 3.78 3.42 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 0.22 0.00 0.00 133 Y 7.73 4.63 0.00 2.58 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 0.00 134 G 7.81 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 0.00 135 S 8.60 4.43 0.00 4.08 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 0.00 136 R 8.12 3.84 0.00 2.05 2.05 0.00 3.12 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 137 A 7.75 4.13 1.51 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 0.00 0.00 138 Q 8.17 4.13 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 139 T 7.57 4.33 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 0.00 140 A 8.26 3.89 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 0.00 141 L 8.43 4.12 0.00 1.72 1.63 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.39 0.00 2.20 1.92 0.00 4.05 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 2.08 2.01 0.00 143 Y 8.80 3.59 0.00 3.22 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 0.00 144 A 7.96 3.97 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 0.00 145 M 7.80 4.44 0.00 1.86 2.00 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 1.09 0.81 0.00 146 N 8.69 4.42 0.00 3.17 2.93 0.00 0.00 7.22 8.44 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 0.00 147 S 8.06 4.16 0.00 3.93 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 0.00 148 E 8.16 4.18 0.00 2.25 2.16 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 2.47 2.45 0.00 149 F 8.91 4.05 0.00 3.40 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 0.00 150 S 8.53 4.15 0.00 4.25 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 0.00 151 S 7.71 4.08 0.00 4.14 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 0.00 152 V 7.40 3.39 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 0.00 0.00 0.76 0.00 0.00 0.79 0.00 0.00 153 L 7.34 3.98 0.00 1.81 1.83 1.06 0.92 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 0.00 154 A 7.82 4.22 1.06 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 0.00 0.00 155 A 7.92 3.97 1.35 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 0.00 156 Q 7.98 4.20 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.34 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 157 L 7.69 4.28 0.00 1.61 1.85 -0.41 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.63 4.10 0.00 1.75 1.47 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.18 0.91 7.81 * Residues marked with a * may have inaccurate shift predictions.