NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.7870 8.4545 109.7368 45.2672 0.0000 172.0215 *6 R 3.9110 7.7104 120.4653 55.6642 31.1444 175.7172 7 V 3.6551 8.2947 122.6254 63.9182 31.5867 175.9099 8 G 3.9992 8.9249 115.8390 44.9005 0.0000 173.3273 9 E 4.0743 8.4587 122.4786 56.8057 30.4612 175.7675 10 R 5.3892 8.7768 125.4267 54.4622 33.0304 175.0321 11 F 5.1147 9.4654 124.9382 56.7176 42.8739 173.6042 12 T 4.9300 7.4573 121.0565 61.8660 71.4402 172.9041 13 H 4.7163 8.8512 119.9417 54.1183 32.3373 171.9018 14 D 5.3610 8.2979 118.9033 52.9400 44.0568 176.0891 15 F 4.5062 8.5523 123.5402 57.2281 42.5641 173.3799 16 V 3.8288 7.7934 127.6179 62.4151 32.2866 175.5220 17 V 3.4340 8.5097 129.6522 61.8568 32.4315 174.0502 18 P 4.7022 0.0000 0.0000 60.9100 32.6222 175.1650 19 P 4.2380 0.0000 0.0000 65.6189 31.2433 177.0835 20 H 4.1153 7.9093 111.4709 55.2066 28.8451 175.3147 21 K 3.6237 7.6811 118.9314 56.4378 32.6157 176.4881 22 T 5.5937 7.6075 109.1274 59.3950 71.0989 175.4509 23 V 3.4025 8.6133 120.8901 66.0613 30.9770 178.2301 24 R 4.0857 7.9731 115.1124 58.9109 29.5861 177.8596 25 H 4.4938 8.0584 114.8631 57.6440 29.2888 176.5983 26 L 3.8415 7.9391 120.9893 57.6118 42.1634 176.8883 27 Y 4.7098 7.4514 118.1520 54.0718 38.4622 174.0975 28 P 4.6111 0.0000 0.0000 64.2177 31.5937 177.4184 29 E 4.2394 8.3540 115.0149 56.4334 29.6548 175.5492 30 S 4.7830 7.7822 114.8508 56.2092 62.8576 172.0586 31 P 4.4636 0.0000 0.0000 65.4862 31.4204 178.8961 32 E 4.0187 8.0594 116.5603 58.6635 29.7030 177.6331 33 F 4.7197 7.7618 116.0774 58.2602 39.7365 177.5628 34 A 4.1879 8.0093 125.1603 54.7069 18.1662 178.3915 35 E 4.7535 8.1878 109.6623 55.3132 30.9819 181.7873 36 F 4.3374 8.5438 117.8196 57.5819 39.5403 173.5964 37 P 4.4063 0.0000 0.0000 63.2952 31.8106 177.5170 38 E 4.4571 8.5064 121.9832 55.5610 28.0009 176.0968 39 V 4.8432 7.3919 114.3519 58.6077 36.8279 174.8060 40 F 4.9147 9.2618 125.4934 59.1137 39.4454 175.0560 41 A 4.1698 8.8102 128.0130 52.0331 18.9985 178.4790 42 T 3.6928 8.6451 117.5174 66.6101 69.0214 176.4007 43 G 3.5301 7.8457 109.9341 48.5322 0.0000 175.2144 44 F 4.6775 7.2909 117.3744 57.8794 38.4206 177.5702 *46 V 3.9345 8.0224 121.7880 62.9401 33.1382 176.9097 47 G 3.7066 7.7895 108.2475 48.4633 0.0000 175.6622 48 L 4.2283 8.1683 119.8691 55.5670 41.6024 178.3269 *50 E 4.1193 8.2785 118.6603 55.6020 31.5450 178.1282 51 W 4.2793 8.2859 127.7109 60.3352 30.7533 177.8921 52 A 3.7928 7.7907 120.7158 55.3885 17.5487 179.4909 53 C 2.9392 7.5859 113.5865 62.3234 28.2309 175.8070 54 V 3.6979 7.7786 119.2772 66.2642 31.1655 178.0172 55 R 3.9688 7.8919 116.2557 58.8114 29.8688 178.8469 56 A 3.8988 7.0994 118.5051 52.3637 18.5246 178.2828 *58 A 4.3612 8.0440 126.1565 53.4131 20.5054 178.1607 59 P 4.2711 0.0000 0.0000 64.6790 31.4842 176.5498 60 Y 4.5617 7.8608 113.9322 57.4646 38.4177 174.9716 61 L 4.6503 7.3239 119.9652 53.1733 42.9931 176.7283 62 E 4.2740 9.1978 123.5451 55.8983 30.3364 173.8018 63 P 5.0490 0.0000 0.0000 60.9480 33.6060 176.3635 64 G 3.9417 8.3571 108.8156 45.7553 0.0000 172.3067 65 E 4.9493 8.7292 126.6041 55.6129 31.2147 176.5911 66 G 4.3283 9.1030 109.2253 45.4333 0.0000 171.1612 67 S 5.2430 8.4934 112.4731 56.9544 66.2810 173.4351 68 L 4.7600 8.5793 120.6047 52.5695 45.1960 176.3116 69 G 4.1781 8.7755 110.1074 46.7343 0.0000 173.2775 70 T 4.8078 8.8899 113.0447 61.4619 71.0464 173.9352 71 A 4.7270 7.6390 122.3809 50.8774 22.7776 174.8808 72 I 5.0307 8.2745 120.1732 59.5531 41.3670 174.2558 73 C 4.7139 9.4471 129.3779 57.9774 33.8660 172.7780 74 V 5.1201 8.2599 118.1397 59.8189 35.3232 175.1881 75 T 4.5505 8.7216 113.1317 60.8950 71.6644 173.5044 76 H 5.2294 8.6571 121.4692 55.2592 31.2734 172.3780 77 T 4.6377 9.1239 115.9001 61.7549 70.0565 174.4040 78 A 4.6184 7.9700 122.8842 50.8778 22.2261 174.6261 79 A 4.9092 8.3581 121.0463 50.5676 21.7633 176.6754 80 T 4.6670 8.3858 116.7722 60.9894 72.0348 172.1591 81 P 4.9766 0.0000 0.0000 61.5316 33.1015 174.3498 82 P 4.4541 0.0000 0.0000 63.8563 31.8240 175.9940 83 G 4.0403 8.9178 109.5645 45.5999 0.0000 174.5509 84 L 4.2369 7.3215 117.8492 54.7337 43.4888 176.4216 85 T 4.6408 8.2232 118.4081 62.4129 70.3630 173.8432 86 V 4.4192 8.8137 127.9601 62.1701 33.2799 174.6030 87 T 4.8384 8.7051 125.5897 62.0031 70.4434 173.5945 88 V 4.7614 8.6322 127.5726 61.6042 33.7658 174.3846 89 T 4.9454 8.7266 124.5043 61.7880 70.9137 173.1562 90 A 5.2415 9.3988 128.6395 50.1382 21.7835 174.4915 91 E 5.2227 9.8274 124.7135 54.1181 32.4760 174.8745 92 L 3.4778 8.7906 130.0771 55.1645 42.4263 177.2057 93 R 4.5012 8.3015 125.0515 56.5480 32.4155 176.3493 94 S 4.6460 7.4458 110.4765 57.7929 65.5751 175.6957 95 V 4.7620 7.3720 119.6795 60.1487 33.7042 173.6532 96 E 5.9139 7.4858 132.9313 57.1547 30.7245 176.3816 97 G 4.0113 7.9303 108.2107 45.7505 0.0000 172.4309 98 R 4.5778 8.0525 121.5352 57.1151 31.2579 181.5851 99 R 5.1066 7.8719 119.8461 56.0137 32.9140 179.3216 100 L 4.8852 9.0225 124.6781 51.8595 45.2094 175.4340 101 S 5.0946 8.6384 117.7751 56.3223 64.9047 172.5711 102 W 5.2093 9.3677 127.3207 54.9090 32.1775 174.7618 103 R 4.8813 9.3504 124.9656 55.5874 30.9464 175.4612 104 V 5.1325 8.7744 119.5568 59.9476 35.4041 174.6747 105 S 5.1232 8.7974 116.6992 57.2788 66.3499 172.6452 106 A 5.9393 9.3878 126.1603 50.2927 22.8491 174.7780 107 H 5.3784 8.6106 115.0159 53.6905 32.5852 173.2365 108 D 5.2486 8.7780 118.2524 52.4014 39.4222 176.9618 109 G 4.1064 8.7732 110.0108 45.5906 0.0000 174.7129 110 V 4.1823 7.9230 116.4141 63.7890 33.2919 175.2092 111 D 4.9651 8.8231 118.5229 51.7887 44.3790 174.7451 112 E 4.4985 8.8059 123.2871 56.5097 30.2269 176.4116 113 I 4.5604 8.9714 118.3154 60.0206 40.0341 175.3388 114 G 4.6215 7.7669 111.5004 46.9669 0.0000 171.9641 115 S 5.1146 7.2446 114.9934 56.2370 66.7702 174.7941 116 G 4.3139 7.7080 108.0873 46.7876 0.0000 171.9498 117 T 5.2997 8.7945 119.8161 62.0815 73.1612 172.6270 118 H 5.3846 9.4154 123.7711 54.7076 33.5461 171.8279 119 E 5.3591 9.0031 124.4866 54.8660 32.7195 175.2174 120 R 5.1786 9.0249 119.9954 54.5587 35.5006 173.8137 121 A 5.1242 8.8204 123.0449 49.8281 21.8146 175.9129 122 V 4.2434 8.8311 124.5548 63.0298 32.2691 175.3931 123 I 4.6360 8.8693 121.3160 59.0582 41.2694 174.4086 124 H 4.7884 8.7481 124.1049 55.7027 30.2267 175.5978 125 L 4.0474 8.7599 128.2614 58.3040 41.4198 179.6319 126 E 3.9477 7.8237 117.7231 59.2802 29.5514 179.4217 127 K 4.0218 7.5970 118.0422 58.9725 32.1328 179.1440 128 F 4.2861 8.0562 121.0674 61.3970 39.4624 177.2255 129 N 4.2229 8.5554 115.9095 55.8345 38.1958 177.3957 130 A 3.9121 7.6784 122.7921 54.9561 18.3370 179.5706 131 K 3.8346 7.2926 115.6006 59.4484 32.4648 178.9018 132 V 3.5474 7.3707 118.6970 65.7346 31.2765 178.2558 133 R 3.9571 7.9756 120.3614 59.8123 29.7144 179.3697 134 Q 4.1169 7.9146 118.9641 58.8761 28.0866 178.9993 135 K 4.5300 7.6859 117.4928 57.4431 34.0094 176.0024 136 T 4.1600 7.2615 114.0892 60.5698 67.8828 172.4812 137 P 4.4201 0.0000 0.0000 62.9233 31.3038 176.1279 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 4 G 8.45 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 0.00 0.00 0.00 *6 R 7.71 3.91 0.00 1.78 1.88 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 8.29 3.66 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 0.88 0.00 0.00 0.86 0.00 0.00 8 G 8.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.46 4.07 0.00 2.26 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 2.48 2.41 0.00 10 R 8.78 5.39 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 11 F 9.47 5.11 0.00 3.09 2.83 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 12 T 7.46 4.93 3.98 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 0.00 0.00 1.08 0.00 0.00 13 H 8.85 4.72 0.00 2.90 2.78 0.00 5.24 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 14 D 8.30 5.36 0.00 2.45 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.55 4.51 0.00 2.87 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 16 V 7.79 3.83 1.77 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 0.59 0.00 0.00 0.77 0.00 0.00 17 V 8.51 3.43 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 0.53 0.00 0.00 0.21 0.00 0.00 18 P 0.00 4.70 0.00 2.01 1.98 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 19 P 0.00 4.24 0.00 2.06 2.17 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.91 4.12 0.00 3.07 3.22 0.00 5.49 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.68 3.62 0.00 1.86 1.76 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.10 1.66 7.81 22 T 7.61 5.59 4.44 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 1.36 0.00 0.00 23 V 8.61 3.40 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 0.00 0.00 1.02 0.00 0.00 24 R 7.97 4.09 0.00 2.06 2.39 0.00 3.03 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.48 0.00 25 H 8.06 4.49 0.00 3.55 3.58 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.94 3.84 0.00 1.30 1.64 -0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.45 4.71 0.00 3.27 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 28 P 0.00 4.61 0.00 2.08 2.15 0.00 3.71 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 29 E 8.35 4.24 0.00 2.17 2.23 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 2.57 2.36 0.00 30 S 7.78 4.78 0.00 3.87 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 0.00 31 P 0.00 4.46 0.00 2.21 2.09 0.00 3.60 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 32 E 8.06 4.02 0.00 1.58 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 2.19 2.34 0.00 33 F 7.76 4.72 0.00 3.14 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 34 A 8.01 4.19 1.39 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 35 E 8.19 4.75 0.00 1.96 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 2.12 1.85 0.00 36 F 8.54 4.34 0.00 3.15 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 37 P 0.00 4.41 0.00 2.10 2.03 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 38 E 8.51 4.46 0.00 2.01 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 2.38 2.33 0.00 39 V 7.39 4.84 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 0.88 0.00 0.00 1.08 0.00 0.00 40 F 9.26 4.91 0.00 3.08 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 41 A 8.81 4.17 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 42 T 8.65 3.69 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 1.19 0.00 0.00 43 G 7.85 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 0.00 0.00 0.00 44 F 7.29 4.68 0.00 2.81 2.83 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 *46 V 8.02 3.93 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 0.72 0.00 0.00 0.91 0.00 0.00 47 G 7.79 3.71 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 0.00 0.00 0.00 48 L 8.17 4.23 0.00 2.03 1.78 0.57 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.28 4.12 0.00 2.23 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 1.83 2.32 0.00 51 W 8.29 4.28 0.00 3.57 3.31 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 0.00 52 A 7.79 3.79 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 53 C 7.59 2.94 0.00 2.75 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 0.00 0.00 0.00 54 V 7.78 3.70 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 0.85 0.00 0.00 1.00 0.00 0.00 55 R 7.89 3.97 0.00 1.50 1.37 0.00 3.09 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 56 A 7.10 3.90 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 *58 A 8.04 4.36 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 59 P 0.00 4.27 0.00 1.31 1.82 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 60 Y 7.86 4.56 0.00 3.00 2.98 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 0.00 0.00 0.00 61 L 7.32 4.65 0.00 1.70 1.62 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.20 4.27 0.00 2.06 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 2.47 2.44 0.00 63 P 0.00 5.05 0.00 2.03 1.95 0.00 3.68 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 1.94 2.05 0.00 64 G 8.36 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 0.00 0.00 0.00 65 E 8.73 4.95 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 2.29 0.00 66 G 9.10 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 0.00 0.00 0.00 0.00 67 S 8.49 5.24 0.00 3.89 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 68 L 8.58 4.76 0.00 1.45 1.45 0.26 0.53 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 69 G 8.78 4.18 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 0.00 70 T 8.89 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 1.26 0.00 0.00 71 A 7.64 4.73 1.24 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 0.00 0.00 0.00 72 I 8.27 5.03 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.92 0.00 0.00 73 C 9.45 4.71 0.00 3.00 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 74 V 8.26 5.12 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 0.82 0.00 0.00 0.93 0.00 0.00 75 T 8.72 4.55 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 1.24 0.00 0.00 76 H 8.66 5.23 0.00 3.11 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.12 4.64 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 1.25 0.00 0.00 78 A 7.97 4.62 1.31 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 0.00 0.00 0.00 79 A 8.36 4.91 1.24 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 0.00 0.00 0.00 80 T 8.39 4.67 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 1.16 0.00 0.00 81 P 0.00 4.98 0.00 2.11 2.19 0.00 3.71 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 2.00 0.00 82 P 0.00 4.45 0.00 2.02 2.12 0.00 3.65 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 2.03 2.09 0.00 83 G 8.92 4.04 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 0.00 0.00 0.00 84 L 7.32 4.24 0.00 1.84 1.51 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.22 4.64 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 1.11 0.00 0.00 86 V 8.81 4.42 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 1.00 0.00 0.00 0.71 0.00 0.00 87 T 8.71 4.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 88 V 8.63 4.76 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 1.08 0.00 0.00 0.97 0.00 0.00 89 T 8.73 4.95 4.26 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 1.24 0.00 0.00 90 A 9.40 5.24 1.13 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 0.00 0.00 91 E 9.83 5.22 0.00 2.09 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 2.21 2.27 0.00 92 L 8.79 3.48 0.00 0.64 1.11 -0.05 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.30 4.50 0.00 1.65 1.87 0.00 3.39 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 94 S 7.45 4.65 0.00 3.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.37 4.76 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 0.73 0.00 0.00 0.84 0.00 0.00 96 E 7.49 5.91 0.00 1.94 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 2.01 2.03 0.00 97 G 7.93 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 0.00 0.00 0.00 98 R 8.05 4.58 0.00 1.50 1.90 0.00 3.19 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 99 R 7.87 5.11 0.00 1.45 1.79 0.00 3.16 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 100 L 9.02 4.89 0.00 1.56 1.28 1.02 0.52 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 0.00 101 S 8.64 5.09 0.00 3.82 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 0.00 102 W 9.37 5.21 0.00 3.40 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 0.00 103 R 9.35 4.88 0.00 1.94 2.01 0.00 3.29 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 104 V 8.77 5.13 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 0.71 0.00 0.00 1.00 0.00 0.00 105 S 8.80 5.12 0.00 3.92 3.67 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 0.00 106 A 9.39 5.94 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 0.00 107 H 8.61 5.38 0.00 3.38 3.56 0.00 5.62 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.78 5.25 0.00 2.70 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 0.00 109 G 8.77 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 0.00 0.00 0.00 110 V 7.92 4.18 2.24 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 0.87 0.00 0.00 0.93 0.00 0.00 111 D 8.82 4.97 0.00 2.67 2.52 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 0.00 112 E 8.81 4.50 0.00 1.93 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 2.32 2.55 0.00 113 I 8.97 4.56 2.15 0.00 0.00 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 1.29 1.22 1.08 0.00 0.00 114 G 7.77 4.62 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 0.00 0.00 0.00 115 S 7.24 5.11 0.00 3.73 3.96 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 0.00 116 G 7.71 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 0.00 0.00 0.00 0.00 117 T 8.79 5.30 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 1.31 0.00 0.00 118 H 9.42 5.38 0.00 3.23 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.00 5.36 0.00 1.95 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 2.25 2.27 0.00 120 R 9.02 5.18 0.00 1.81 1.84 0.00 3.08 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 121 A 8.82 5.12 1.17 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 0.00 0.00 122 V 8.83 4.24 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 0.84 0.00 0.00 0.96 0.00 0.00 123 I 8.87 4.64 1.78 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.64 0.73 0.00 0.00 124 H 8.75 4.79 0.00 3.21 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.76 4.05 0.00 1.76 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.82 3.95 0.00 1.89 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 2.40 2.35 0.00 127 K 7.60 4.02 0.00 1.87 1.93 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.64 7.81 128 F 8.06 4.29 0.00 3.16 3.22 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 0.00 129 N 8.56 4.22 0.00 2.76 2.83 0.00 0.00 6.98 8.76 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 0.00 130 A 7.68 3.91 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 0.00 131 K 7.29 3.83 0.00 1.90 1.73 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 132 V 7.37 3.55 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 0.85 0.00 0.00 0.09 0.00 0.00 133 R 7.98 3.96 0.00 2.00 1.92 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 134 Q 7.91 4.12 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 135 K 7.69 4.53 0.00 1.81 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.30 7.81 136 T 7.26 4.16 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 1.24 0.00 0.00 137 P 0.00 4.42 0.00 2.07 1.94 0.00 3.75 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 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.