NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 I 4.5315 8.0201 118.5800 60.2234 35.7708 173.9210 11 A 4.5650 8.0628 127.4005 51.9430 24.0326 175.1997 12 P 4.1216 0.0000 0.0000 64.0410 32.8150 175.3766 13 Y 4.0941 7.1341 116.5660 56.9633 38.2121 174.2114 14 P 4.2913 0.0000 0.0000 62.4565 32.0276 176.3969 15 Q 4.1147 8.4196 120.6751 55.2713 29.3542 176.0020 16 A 3.7874 8.6411 123.5522 52.6178 18.9201 177.5523 17 E 4.0474 8.6081 125.6997 55.8376 30.5499 176.7022 18 K 3.9307 8.4605 124.5769 56.7363 32.0191 178.2049 19 G 4.1030 9.6108 112.0620 43.2239 0.0000 172.2268 20 M 5.4996 7.8852 117.8420 53.4866 36.0787 174.0253 21 K 4.8020 8.7400 117.3313 55.7937 36.5556 175.0005 22 R 4.5291 8.6162 121.5654 55.1905 31.6962 175.4089 23 Q 4.4734 8.8187 125.2117 54.2255 31.5717 174.4239 24 V 4.4578 8.2888 124.6794 61.3336 33.0823 174.8500 25 I 4.4538 8.7376 129.0112 59.5161 39.6357 174.5099 26 Q 4.7715 8.5976 125.3229 53.9832 31.4242 175.0394 27 L 4.6360 8.2203 122.5177 53.1055 44.0058 176.2384 28 T 4.3209 8.3510 118.4005 62.1686 69.3640 173.3373 29 P 4.7711 0.0000 0.0000 62.4729 32.0188 175.7533 30 Q 4.5457 8.7375 119.3976 53.8045 31.9867 174.7395 31 E 3.7467 8.3902 119.0559 59.1928 29.9701 177.7918 32 D 4.7061 7.4931 123.3728 52.9098 40.6004 176.0230 33 E 4.3182 8.3164 120.5825 56.4347 29.3974 178.0134 34 S 4.4811 8.0469 116.2729 59.7000 64.0512 174.3837 35 T 4.8114 7.4133 110.5207 59.5158 67.3006 172.3265 36 L 5.2201 7.3232 120.0209 55.4369 46.8954 176.3695 37 K 4.6340 8.5227 116.7142 55.8202 36.8055 174.6068 38 V 4.9525 8.7650 123.4172 61.2106 34.1525 173.7688 39 E 5.1013 9.3831 129.5700 54.4930 31.4559 174.7447 40 L 4.7617 8.7797 128.1195 54.3340 43.0829 176.7416 41 L 4.6611 9.5762 123.1519 53.2597 44.7799 175.7160 42 I 4.6570 8.0503 125.9004 60.0607 39.3570 174.5879 43 G 3.4929 8.5189 116.3628 45.7856 0.0000 170.9417 44 Q 5.2238 8.5202 118.8703 54.3094 33.5740 174.7458 45 T 5.0305 8.7583 113.1068 61.1627 69.8563 173.8705 46 L 4.9097 8.9696 125.7271 52.7670 46.9197 175.4048 47 E 4.8410 8.7208 120.5195 55.9659 30.2749 176.2391 48 V 4.5395 8.8152 117.8484 59.7029 36.4826 177.6632 49 D 4.6467 8.9375 126.6249 54.4121 37.3797 176.1786 50 C 4.9300 9.1952 109.4559 54.3930 43.7233 173.9120 51 N 4.8758 8.6154 118.2938 52.5989 39.7414 174.8955 52 L 4.2455 8.3629 121.2393 55.2186 42.8189 175.7794 53 H 5.3940 8.9163 120.8336 53.8974 31.4149 173.3177 54 R 4.5811 8.6089 123.6665 54.3559 32.2732 174.7899 55 L 4.6043 8.2836 127.5019 54.7341 43.4723 175.8894 56 G 4.8301 9.4824 110.2925 43.4266 0.0000 173.8429 57 G 4.7447 7.5361 107.4598 44.5563 0.0000 171.5788 58 K 4.4092 7.2068 119.9974 54.8328 35.9603 174.6855 59 L 4.9258 8.5216 129.1835 53.7989 43.5488 174.8311 60 E 4.6467 9.1185 127.3957 54.3716 32.4733 173.9086 61 N 4.8231 8.8819 125.9730 52.3677 39.7564 173.8752 62 K 4.5138 8.0631 126.4337 54.7956 34.8464 176.0545 63 T 4.8488 8.0928 112.6216 60.5365 71.1678 173.8946 64 L 4.6936 9.2161 126.4563 53.5496 43.4438 175.5806 65 E 4.0145 9.0835 127.5283 58.1128 29.8382 177.6866 66 G 3.9164 9.0532 112.6363 45.7845 0.0000 173.7615 67 W 4.3079 7.8747 116.9989 56.2916 31.8016 176.7738 68 G 4.0275 8.7726 104.3124 45.8787 0.0000 172.7634 69 Y 4.8619 7.9770 116.8057 57.3457 39.9122 173.9088 70 D 5.4662 8.7729 120.6363 52.7048 43.9064 175.2739 71 Y 4.8390 8.1544 120.1358 55.4055 41.8673 173.5275 72 Y 5.0303 9.2731 120.4132 56.3489 40.7469 174.7812 73 V 4.8635 9.2699 125.4627 61.5077 33.3581 174.4429 74 F 5.1569 9.6355 133.1707 57.2690 40.5064 174.0966 75 D 5.0938 8.0815 126.1324 51.6301 43.4876 174.6768 76 K 3.7918 8.2329 112.9228 57.7240 29.0560 175.7576 77 V 4.5482 7.5142 117.7318 62.8824 32.8639 175.8849 78 S 4.8646 8.6285 120.7625 56.2009 66.5581 173.6570 79 S 4.5399 8.8066 117.2005 58.3617 63.5083 172.4959 80 P 5.2293 0.0000 0.0000 62.6056 31.7912 176.7546 81 V 4.2309 8.3729 117.0470 60.9456 33.8310 174.8356 82 S 5.6563 8.3716 117.2010 56.5348 67.4387 173.3237 83 T 4.3131 8.2314 111.0363 60.5990 69.8298 175.2091 84 M 4.3614 8.2999 125.0009 55.5450 31.9817 175.6874 85 M 4.4809 7.5500 115.3203 54.0470 33.8110 174.7958 86 H 4.8900 8.4139 118.5832 54.9167 31.4002 174.7190 87 C 5.0431 8.1083 122.2877 54.2511 43.1721 171.9690 88 P 4.5742 0.0000 0.0000 62.3576 32.0050 175.2553 89 D 4.8072 8.2961 121.0819 52.2797 43.1978 175.6863 *92 K 4.1827 8.1807 120.5581 56.8067 33.8626 174.3260 93 E 4.9057 8.6047 116.2604 54.3445 33.4717 174.3731 94 K 4.8651 8.5689 120.3860 56.4635 33.8175 176.1657 95 K 4.6918 9.2856 123.0690 54.5272 37.2273 175.6896 96 F 4.9344 8.8853 125.4475 57.7787 39.4783 175.1889 97 V 3.8204 8.8090 128.6519 62.4329 31.9525 175.0615 98 T 4.3058 8.0383 124.7383 62.1814 70.5021 174.2156 99 A 4.5744 8.5425 126.8425 51.5913 19.7113 177.7495 100 Y 4.3326 8.6572 122.2160 56.9614 37.8764 175.6250 101 L 4.3108 8.2330 124.3773 54.0515 42.8422 178.4162 102 G 3.1982 5.6210 106.9930 46.9203 0.0000 175.7852 103 D 4.3364 8.3699 119.5491 56.2520 41.3147 177.7895 104 A 4.3221 7.5162 119.1315 52.5790 17.7678 177.8768 105 G 3.8920 8.1310 105.5831 47.6242 0.0000 173.6490 106 M 4.7439 7.8835 120.2467 53.9914 31.9724 175.6600 107 L 4.5944 8.8405 124.8877 53.2963 44.2087 176.0395 108 R 4.6121 8.2777 117.3691 55.4160 30.9400 175.5862 109 Y 3.9051 8.5963 123.6746 57.9589 39.6951 175.5537 110 N 4.8091 8.2852 124.6047 52.9556 39.7780 174.4035 111 S 4.3942 9.2280 118.7977 59.1451 63.4303 177.1025 112 K 4.0556 8.2117 121.3164 58.7842 32.0187 177.0041 113 L 4.8058 7.4130 116.4023 51.9725 45.5055 173.8157 114 P 4.7065 0.0000 0.0000 62.0885 32.9819 175.4536 115 I 4.0334 8.4228 124.4685 60.9413 38.5620 174.8891 116 V 4.4890 8.4158 126.7960 60.9999 33.9357 173.9996 117 V 4.9366 8.4848 128.4260 61.2715 34.4698 173.6234 118 Y 5.3626 9.1531 126.0773 56.6709 40.0998 174.9588 119 T 5.7690 8.4593 113.7479 57.8961 73.1701 171.9160 120 P 4.9130 0.0000 0.0000 62.3390 31.7336 177.4879 121 D 4.3983 8.8493 120.9009 57.2102 40.8320 178.2511 122 N 4.7502 8.1331 113.6858 52.9119 38.0945 174.6833 123 V 4.6329 7.7540 119.3049 61.7468 33.8889 174.5209 124 D 5.1738 9.1698 124.1575 52.4858 44.9318 174.7465 125 V 4.9883 8.1129 120.9891 61.2319 33.6436 174.9389 126 K 4.9208 9.3164 126.1444 55.0051 36.8239 174.5747 127 Y 5.4623 7.8369 118.8385 55.7135 41.6703 174.1468 128 R 4.6912 8.9379 119.0289 54.8919 33.9304 174.1100 129 V 5.0032 8.4665 124.6654 61.9723 33.6484 174.9553 130 W 4.9869 9.2125 124.5162 54.7933 32.8451 174.0165 131 K 5.0633 8.7797 125.3950 54.3004 33.7571 175.5636 132 A 4.3325 8.0901 128.6847 51.7387 19.2896 177.0806 133 E 4.1640 8.6916 120.7969 55.9467 30.5055 176.3155 134 E 4.2078 8.5197 123.1849 56.4061 29.7633 176.3523 135 K 4.6594 7.8797 114.7106 54.2245 36.0821 176.5951 136 I 4.3908 8.1086 121.1647 60.0359 39.3445 174.9469 137 D 4.7835 8.4982 125.1142 52.9973 42.6572 175.3960 138 N 4.8994 8.2241 116.8912 51.3623 41.2297 174.7397 139 A 4.4151 8.0766 122.2779 51.3524 20.3876 176.5003 140 V 4.3084 7.9132 115.9045 61.2025 34.1379 175.2648 141 V 4.0022 8.3869 127.4008 62.2111 31.9133 175.7332 142 R 4.1688 8.3406 122.9317 56.9521 28.6174 174.3943 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 10 I 8.02 4.53 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 1.35 1.21 0.91 0.00 0.00 11 A 8.06 4.57 1.18 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 0.00 0.00 12 P 0.00 4.12 0.00 0.67 0.92 0.00 2.68 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 13 Y 7.13 4.09 0.00 2.95 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 14 P 0.00 4.29 0.00 1.95 1.91 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 15 Q 8.42 4.11 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 16 A 8.64 3.79 1.38 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 17 E 8.61 4.05 0.00 1.93 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 0.00 2.36 2.27 0.00 18 K 8.46 3.93 0.00 1.81 1.63 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.04 7.81 19 G 9.61 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 20 M 7.89 5.50 0.00 2.17 2.11 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 2.56 2.51 0.00 21 K 8.74 4.80 0.00 1.83 2.02 0.00 1.32 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 22 R 8.62 4.53 0.00 2.13 1.91 0.00 2.99 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.00 23 Q 8.82 4.47 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 V 8.29 4.46 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 0.70 0.00 0.00 0.80 0.00 0.00 25 I 8.74 4.45 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 -0.08 0.00 0.00 26 Q 8.60 4.77 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 27 L 8.22 4.64 0.00 1.30 1.24 -0.16 0.40 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 28 T 8.35 4.32 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 1.26 0.00 0.00 29 P 0.00 4.77 0.00 2.07 2.03 0.00 3.71 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 30 Q 8.74 4.55 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.27 1.94 0.00 31 E 8.39 3.75 0.00 1.92 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 2.32 2.32 0.00 32 D 7.49 4.71 0.00 2.63 2.51 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 33 E 8.32 4.32 0.00 2.02 1.99 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 2.03 2.48 0.00 34 S 8.05 4.48 0.00 3.96 3.92 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 35 T 7.41 4.81 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 36 L 7.32 5.22 0.00 1.39 1.54 0.14 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.52 4.63 0.00 1.76 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.44 7.81 38 V 8.76 4.95 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 0.81 0.00 0.00 0.75 0.00 0.00 39 E 9.38 5.10 0.00 2.19 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 2.33 2.27 0.00 40 L 8.78 4.76 0.00 1.47 1.51 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.58 4.66 0.00 1.78 1.75 1.02 0.69 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 42 I 8.05 4.66 1.19 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 -0.42 0.00 0.00 43 G 8.52 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.52 5.22 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 45 T 8.76 5.03 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 1.34 0.00 0.00 46 L 8.97 4.91 0.00 1.54 1.53 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.72 4.84 0.00 1.85 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 2.28 2.34 0.00 48 V 8.82 4.54 1.75 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 0.50 0.00 0.00 0.83 0.00 0.00 49 D 8.94 4.65 0.00 2.77 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 0.00 0.00 0.00 0.00 50 C 9.20 4.93 0.00 3.03 3.14 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 51 N 8.62 4.88 0.00 2.78 2.80 0.00 0.00 6.96 8.71 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 52 L 8.36 4.25 0.00 1.61 1.59 0.91 1.12 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 53 H 8.92 5.39 0.00 2.94 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.61 4.58 0.00 1.85 1.74 0.00 3.02 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 55 L 8.28 4.60 0.00 1.70 1.63 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.48 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.54 4.74 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 0.00 0.00 0.00 58 K 7.21 4.41 0.00 1.67 1.43 0.00 1.58 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.33 7.81 59 L 8.52 4.93 0.00 1.94 1.64 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.12 4.65 0.00 2.04 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 2.15 2.19 0.00 61 N 8.88 4.82 0.00 2.93 2.72 0.00 0.00 7.08 6.68 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 62 K 8.06 4.51 0.00 0.79 1.21 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.17 7.81 63 T 8.09 4.85 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 1.22 0.00 0.00 64 L 9.22 4.69 0.00 2.16 1.89 0.93 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.08 4.01 0.00 2.11 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 2.44 2.38 0.00 66 G 9.05 3.92 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 0.00 0.00 0.00 67 W 7.87 4.31 0.00 3.14 2.34 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 68 G 8.77 4.03 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 0.00 0.00 0.00 69 Y 7.98 4.86 0.00 2.98 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 70 D 8.77 5.47 0.00 2.46 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 0.00 0.00 0.00 71 Y 8.15 4.84 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 72 Y 9.27 5.03 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 73 V 9.27 4.86 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 1.14 0.00 0.00 1.29 0.00 0.00 74 F 9.64 5.16 0.00 3.14 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 75 D 8.08 5.09 0.00 2.69 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 76 K 8.23 3.79 0.00 1.86 1.82 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.34 7.81 77 V 7.51 4.55 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 0.99 0.00 0.00 1.17 0.00 0.00 78 S 8.63 4.86 0.00 3.92 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 79 S 8.81 4.54 0.00 3.79 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 80 P 0.00 5.23 0.00 2.03 2.04 0.00 3.75 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 81 V 8.37 4.23 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 0.72 0.00 0.00 0.96 0.00 0.00 82 S 8.37 5.66 0.00 3.56 3.53 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 83 T 8.23 4.31 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 1.19 0.00 0.00 84 M 8.30 4.36 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 85 M 7.55 4.48 0.00 2.13 2.07 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 2.53 2.86 0.00 86 H 8.41 4.89 0.00 3.10 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.11 5.04 0.00 2.89 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 88 P 0.00 4.57 0.00 2.16 2.03 0.00 3.70 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 1.96 1.97 0.00 89 D 8.30 4.81 0.00 2.63 2.59 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 *92 K 8.18 4.18 0.00 2.09 1.87 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 93 E 8.60 4.91 0.00 2.00 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 2.17 2.23 0.00 94 K 8.57 4.87 0.00 1.80 1.86 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.47 7.81 95 K 9.29 4.69 0.00 1.59 1.70 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.35 1.52 7.81 96 F 8.89 4.93 0.00 2.92 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 97 V 8.81 3.82 1.99 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 0.98 0.00 0.00 0.94 0.00 0.00 98 T 8.04 4.31 4.13 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 1.16 0.00 0.00 99 A 8.54 4.57 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 0.00 100 Y 8.66 4.33 0.00 3.03 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 0.00 101 L 8.23 4.31 0.00 1.60 1.59 1.20 1.06 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 0.00 102 G 5.62 3.20 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 0.00 0.00 0.00 103 D 8.37 4.34 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 0.00 104 A 7.52 4.32 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 0.00 105 G 8.13 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 0.00 0.00 0.00 106 M 7.88 4.74 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 107 L 8.84 4.59 0.00 1.41 1.46 0.11 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 108 R 8.28 4.61 0.00 1.85 1.94 0.00 3.07 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 109 Y 8.60 3.91 0.00 3.06 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 0.00 110 N 8.29 4.81 0.00 2.82 2.61 0.00 0.00 6.97 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 0.00 111 S 9.23 4.39 0.00 4.16 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 0.00 112 K 8.21 4.06 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.55 7.81 113 L 7.41 4.81 0.00 1.42 1.35 0.34 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.71 0.00 1.95 1.99 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 115 I 8.42 4.03 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.28 0.75 0.00 0.00 116 V 8.42 4.49 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 0.34 0.00 0.00 0.11 0.00 0.00 117 V 8.48 4.94 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 1.11 0.00 0.00 0.86 0.00 0.00 118 Y 9.15 5.36 0.00 3.06 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 0.00 119 T 8.46 5.77 4.37 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 1.25 0.00 0.00 120 P 0.00 4.91 0.00 2.30 2.08 0.00 3.85 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 121 D 8.85 4.40 0.00 2.74 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 0.00 122 N 8.13 4.75 0.00 2.85 2.96 0.00 0.00 5.87 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 0.00 123 V 7.75 4.63 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 0.69 0.00 0.00 1.07 0.00 0.00 124 D 9.17 5.17 0.00 2.70 2.43 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 0.00 125 V 8.11 4.99 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 0.76 0.00 0.00 0.88 0.00 0.00 126 K 9.32 4.92 0.00 1.63 1.43 0.00 0.79 0.00 0.00 1.30 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.14 7.81 127 Y 7.84 5.46 0.00 2.99 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 0.00 128 R 8.94 4.69 0.00 1.89 1.86 0.00 2.85 0.00 0.00 3.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 0.00 129 V 8.47 5.00 2.18 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 1.04 0.00 0.00 1.24 0.00 0.00 130 W 9.21 4.99 0.00 3.28 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 0.00 131 K 8.78 5.06 0.00 1.75 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.62 7.81 132 A 8.09 4.33 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 0.00 133 E 8.69 4.16 0.00 2.09 1.84 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 2.39 2.37 0.00 134 E 8.52 4.21 0.00 1.95 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 2.29 2.39 0.00 135 K 7.88 4.66 0.00 1.75 1.64 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 136 I 8.11 4.39 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 0.60 0.92 0.00 0.00 137 D 8.50 4.78 0.00 2.66 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 0.00 138 N 8.22 4.90 0.00 2.68 2.72 0.00 0.00 6.86 7.35 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 0.00 139 A 8.08 4.42 1.25 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 0.00 0.00 0.00 140 V 7.91 4.31 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 0.84 0.00 0.00 0.93 0.00 0.00 141 V 8.39 4.00 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 0.88 0.00 0.00 0.93 0.00 0.00 142 R 8.34 4.17 0.00 1.90 1.81 0.00 3.12 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.