NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3287 8.2644 123.5812 51.9772 19.9349 175.8014 3 K 4.3045 8.1376 119.7709 54.1232 35.0364 174.0806 4 L 4.3365 8.4538 127.0738 54.4023 42.9034 176.0403 5 T 4.2868 8.3437 114.4120 63.0591 69.9606 174.5610 6 S 4.5028 7.3365 112.9920 57.5328 65.2089 173.7202 7 A 4.6830 8.2824 122.7063 50.2590 21.8600 175.8044 8 V 4.2128 7.9681 118.9067 60.2814 33.8103 173.7208 9 P 4.4364 0.0000 0.0000 62.5673 32.8487 175.9571 10 V 4.6566 8.1529 122.4689 61.0542 32.8373 175.2558 11 L 4.3888 8.7470 129.0645 54.8230 42.9400 176.3692 12 T 5.1707 8.7945 110.3489 60.3761 72.5435 172.6398 13 A 4.5822 8.3012 121.3955 51.3776 22.4712 178.1046 14 R 4.4294 8.8178 119.6789 57.6510 30.8544 176.9403 15 D 4.7298 7.6276 116.5488 51.2640 41.8147 175.7199 16 V 3.5265 8.0550 124.7944 65.5549 31.7799 176.9695 17 A 4.0841 8.0911 120.1417 55.2925 18.2540 179.7120 18 G 3.8768 8.9814 105.3230 47.2570 0.0000 175.8537 19 A 4.1419 7.9705 122.8033 54.9519 18.4510 179.8102 20 V 3.5600 8.1196 117.1067 66.2032 31.6217 177.6504 21 E 3.9509 8.5062 119.3307 59.3247 29.3961 178.6617 22 F 3.9644 8.3403 120.3480 61.2658 39.5397 177.3089 23 W 3.5645 8.5648 118.7779 59.3918 28.6446 177.6876 24 T 4.9633 7.9317 111.1947 63.2946 68.6098 176.7809 25 D 4.3136 8.1259 122.9075 56.5432 41.3979 178.5903 26 R 3.8829 7.6970 116.2567 58.8031 30.2131 177.5415 27 L 3.8160 7.0823 114.1899 54.3029 41.8652 177.6565 28 G 4.0155 8.1847 107.0577 45.7534 0.0000 173.8462 29 F 4.6071 8.6887 118.5676 57.2322 40.5440 174.9291 30 S 5.0739 9.2840 116.9577 57.2201 65.4098 173.8665 31 R 4.3403 8.4828 121.5424 56.5497 29.8967 175.9309 32 D 4.8088 9.2760 125.4779 56.4161 42.1219 176.3429 33 F 4.9727 7.2916 110.2797 56.0775 40.9676 173.0663 34 V 4.6163 8.5076 119.8237 61.6302 34.5094 173.9735 35 E 4.9212 9.2307 126.4283 54.1369 33.1216 176.7133 36 D 4.4809 8.8147 119.4630 57.0710 41.0936 177.4589 37 D 4.9278 7.8626 115.8905 53.6768 41.9663 174.8551 38 F 5.0976 7.8924 118.9263 57.5119 43.3553 172.5503 39 A 4.5319 8.0254 125.6328 50.6939 23.4476 175.0934 40 G 4.2411 7.7424 105.9148 44.4479 0.0000 172.4038 41 V 5.3025 8.9218 117.5788 59.4731 35.7257 175.1201 42 V 5.2381 9.1775 122.4515 60.3664 35.3935 174.2852 43 R 4.4811 8.8636 123.1737 54.7044 33.2286 174.4387 44 D 4.1143 8.9039 126.8295 56.1859 40.0051 174.6525 45 D 4.6524 8.9288 127.5722 55.2699 41.0998 175.5458 46 V 4.3715 7.9815 121.0640 61.3027 32.9705 174.2054 47 T 5.2094 8.4218 123.2801 61.7595 71.1290 173.4555 48 L 4.6073 8.9635 125.3469 52.9771 44.8112 176.1123 49 F 5.4590 8.8148 122.3008 56.5198 41.9101 174.8963 50 I 4.7670 8.0356 120.7759 59.6658 41.0582 174.4590 51 S 5.0298 8.6896 121.2351 55.9882 65.4168 172.9858 52 A 4.7865 8.5558 128.1410 52.2494 19.0862 177.1617 53 V 4.5849 8.7081 113.4049 60.1052 36.1085 176.3251 54 Q 4.3462 8.8553 119.3471 55.9559 30.3426 175.3873 55 D 4.8394 7.7336 118.1300 52.1227 42.7573 176.5754 56 Q 4.0783 8.6929 127.6285 58.7965 28.8019 178.2438 57 V 3.6539 7.9332 119.8017 64.8131 31.4049 178.3036 58 V 3.7142 7.8024 119.0523 65.4478 31.5065 176.3645 59 P 4.5036 0.0000 0.0000 65.2483 31.0430 177.4492 60 D 4.6395 7.9657 116.8627 55.7184 40.6960 176.3829 61 N 5.0144 7.9215 115.3269 52.9046 40.1504 173.7866 62 T 4.6181 7.8712 116.5580 62.4382 70.2153 173.9955 63 L 5.7777 8.5933 123.7647 52.4029 46.2473 175.2906 64 A 4.8148 7.9568 119.5177 51.0001 22.5113 175.1882 65 W 4.8265 8.9639 119.2185 54.7690 32.4936 175.3896 66 V 4.6243 8.3393 122.9652 61.0569 34.3215 174.2242 67 W 4.9829 9.2310 127.0992 55.6191 30.9413 175.8290 68 V 4.6212 8.8590 122.3914 61.4727 34.9417 173.9071 69 R 4.5818 8.8266 126.0016 55.3610 31.7690 176.4811 70 G 3.6967 8.6996 111.3678 46.4393 0.0000 175.1751 71 L 3.9911 8.1467 122.2064 58.3307 42.2309 177.3418 72 D 4.4028 8.0645 118.0988 57.2598 40.8022 178.4651 73 E 3.9145 8.0458 118.8834 59.1900 29.5203 178.9034 74 L 3.4472 7.7442 120.4067 57.9270 42.1786 178.3324 75 Y 3.4715 8.0637 119.3510 60.4657 38.4734 177.9830 76 A 3.8670 7.8351 120.5422 54.8997 18.7801 178.8869 77 E 3.9298 7.9532 117.7346 59.4221 29.7940 179.2214 78 W 4.4476 7.9692 118.6779 59.0708 28.8627 178.3723 79 S 4.0037 7.7967 113.4065 60.2186 62.4886 175.2973 80 E 4.2795 7.7038 120.4574 57.1745 29.6721 176.8794 81 V 4.3785 7.3984 109.2377 60.2550 33.9310 175.5191 82 V 4.3665 7.6967 119.1538 60.3190 34.3597 175.0369 83 S 4.1527 8.5905 121.2559 58.9171 63.2863 174.2293 84 T 5.2140 8.2802 115.9039 59.3801 68.2739 172.1870 *92 P 4.2666 0.0000 0.0000 63.8081 33.0840 176.9144 93 A 4.8244 8.1934 121.0150 51.5287 23.3916 175.0454 94 M 5.3901 9.0016 116.8836 53.6316 35.0973 175.4368 95 T 4.7957 8.8533 111.8363 61.0402 70.6495 173.7795 96 E 4.7649 8.4677 120.8463 55.1147 30.4344 176.4602 97 I 4.2846 7.5681 121.1127 61.3338 37.9900 175.8508 98 G 4.2824 9.1311 112.4994 44.8380 0.0000 171.0334 99 E 4.5250 8.6846 119.8368 55.7737 29.9640 174.9754 100 Q 4.2788 9.1952 121.9766 57.1488 31.8965 176.9775 *103 G 3.7995 7.4353 104.1286 45.1979 0.0000 170.6096 104 R 4.7559 8.2257 119.2940 55.7749 31.2585 175.1820 105 E 5.2665 9.1635 123.4316 55.3758 33.8691 173.4177 106 F 5.4379 8.7054 114.0203 55.2460 42.0911 173.2166 107 A 5.1486 9.2461 120.2872 50.0237 22.5330 174.8771 108 L 5.2035 9.1956 122.1105 53.3145 45.8030 175.0394 109 R 5.0973 9.2087 127.2416 54.7635 32.0915 175.9206 110 D 4.1509 8.6685 126.4143 51.1699 40.9891 175.5001 111 P 3.9479 0.0000 0.0000 65.1232 31.1762 177.7291 112 A 4.0962 7.7616 119.0038 52.5271 18.8470 177.8965 113 G 4.0435 7.9002 103.4395 44.9462 0.0000 174.2187 114 N 4.8263 8.4023 117.7292 53.4769 40.2121 173.7265 115 C 5.1937 8.8355 122.1489 57.7865 34.3129 172.5848 116 V 4.5634 8.9870 127.2812 61.4181 33.5862 173.9310 117 H 4.8068 8.1339 125.3141 54.1961 30.9057 173.9706 118 F 4.7383 8.5935 121.3711 55.4376 41.6735 174.4083 119 V 4.7058 8.1760 123.6855 60.4670 34.2984 174.4869 120 A 4.5744 8.6726 130.0574 51.6222 19.0398 177.1125 121 E 4.4891 8.9729 122.7796 56.5941 29.3591 176.5277 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 2 A 8.26 4.33 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 3 K 8.14 4.30 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.51 7.81 4 L 8.45 4.34 0.00 1.64 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.34 4.29 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 6 S 7.34 4.50 0.00 3.94 3.83 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 7 A 8.28 4.68 1.20 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 8 V 7.97 4.21 1.66 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 -0.30 0.00 0.00 0.66 0.00 0.00 9 P 0.00 4.44 0.00 2.02 1.93 0.00 3.64 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 2.09 2.09 0.00 10 V 8.15 4.66 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 0.88 0.00 0.00 1.20 0.00 0.00 11 L 8.75 4.39 0.00 1.41 1.45 0.26 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.79 5.17 4.23 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 1.21 0.00 0.00 13 A 8.30 4.58 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 14 R 8.82 4.43 0.00 1.80 2.00 0.00 3.20 0.00 0.00 4.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 15 D 7.63 4.73 0.00 2.72 2.49 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 16 V 8.05 3.53 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 1.01 0.00 0.00 0.95 0.00 0.00 17 A 8.09 4.08 1.33 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 18 G 8.98 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 0.00 0.00 0.00 19 A 7.97 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.56 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 0.99 0.00 0.00 0.91 0.00 0.00 21 E 8.51 3.95 0.00 2.12 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 0.00 2.34 2.42 0.00 22 F 8.34 3.96 0.00 3.08 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 23 W 8.56 3.56 0.00 3.29 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 24 T 7.93 4.96 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 1.38 0.00 0.00 25 D 8.13 4.31 0.00 2.93 2.73 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 26 R 7.70 3.88 0.00 0.95 1.50 0.00 3.26 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 27 L 7.08 3.82 0.00 1.34 1.07 -1.03 -0.54 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 28 G 8.18 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 0.00 0.00 0.00 29 F 8.69 4.61 0.00 3.32 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 30 S 9.28 5.07 0.00 3.81 3.83 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 31 R 8.48 4.34 0.00 1.74 1.90 0.00 3.23 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 D 9.28 4.81 0.00 2.78 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 33 F 7.29 4.97 0.00 3.17 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 34 V 8.51 4.62 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 0.82 0.00 0.00 0.88 0.00 0.00 35 E 9.23 4.92 0.00 2.33 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 2.31 2.48 0.00 36 D 8.81 4.48 0.00 2.70 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 37 D 7.86 4.93 0.00 2.76 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 38 F 7.89 5.10 0.00 3.17 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 39 A 8.03 4.53 0.98 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 0.00 0.00 40 G 7.74 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 0.00 0.00 0.00 0.00 41 V 8.92 5.30 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 0.75 0.00 0.00 0.69 0.00 0.00 42 V 9.18 5.24 2.22 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 0.91 0.00 0.00 1.06 0.00 0.00 43 R 8.86 4.48 0.00 0.67 0.74 0.00 3.16 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 0.00 44 D 8.90 4.11 0.00 2.82 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 0.00 0.00 0.00 45 D 8.93 4.65 0.00 2.70 2.73 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 46 V 7.98 4.37 2.32 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 1.28 0.00 0.00 1.05 0.00 0.00 47 T 8.42 5.21 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 1.27 0.00 0.00 48 L 8.96 4.61 0.00 1.08 1.08 -0.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.81 5.46 0.00 2.93 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 4.77 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.70 0.78 0.00 0.00 51 S 8.69 5.03 0.00 3.85 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 52 A 8.56 4.79 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 53 V 8.71 4.58 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 1.00 0.00 0.00 54 Q 8.86 4.35 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 55 D 7.73 4.84 0.00 2.65 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 56 Q 8.69 4.08 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 57 V 7.93 3.65 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 0.92 0.00 0.00 0.94 0.00 0.00 58 V 7.80 3.71 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 1.05 0.00 0.00 0.96 0.00 0.00 59 P 0.00 4.50 0.00 2.47 2.50 0.00 4.17 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 2.19 1.90 0.00 60 D 7.97 4.64 0.00 2.88 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 61 N 7.92 5.01 0.00 2.79 2.80 0.00 0.00 6.91 7.09 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 62 T 7.87 4.62 4.49 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 1.22 0.00 0.00 63 L 8.59 5.78 0.00 1.66 1.58 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.96 4.81 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 65 W 8.96 4.83 0.00 3.36 3.06 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 66 V 8.34 4.62 1.50 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 1.30 0.00 0.00 0.86 0.00 0.00 67 W 9.23 4.98 0.00 3.42 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 68 V 8.86 4.62 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 1.05 0.00 0.00 1.14 0.00 0.00 69 R 8.83 4.58 0.00 1.76 1.86 0.00 3.32 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 70 G 8.70 3.70 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 0.00 0.00 0.00 71 L 8.15 3.99 0.00 1.81 1.74 0.94 1.35 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 72 D 8.06 4.40 0.00 2.73 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 73 E 8.05 3.91 0.00 2.10 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 2.36 2.33 0.00 74 L 7.74 3.45 0.00 1.46 1.58 -0.19 0.24 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 75 Y 8.06 3.47 0.00 2.90 2.96 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 76 A 7.84 3.87 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 77 E 7.95 3.93 0.00 1.88 1.74 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 2.38 2.33 0.00 78 W 7.97 4.45 0.00 3.14 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 79 S 7.80 4.00 0.00 3.74 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 80 E 7.70 4.28 0.00 2.04 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 2.42 2.44 0.00 81 V 7.40 4.38 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 0.66 0.00 0.00 0.94 0.00 0.00 82 V 7.70 4.37 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 0.71 0.00 0.00 0.82 0.00 0.00 83 S 8.59 4.15 0.00 3.85 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 84 T 8.28 5.21 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 1.06 0.00 0.00 *92 P 0.00 4.27 0.00 1.87 1.41 0.00 3.68 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 93 A 8.19 4.82 1.19 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 0.00 0.00 94 M 9.00 5.39 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 95 T 8.85 4.80 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 1.26 0.00 0.00 96 E 8.47 4.76 0.00 1.99 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 2.36 2.33 0.00 97 I 7.57 4.28 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.36 0.88 0.00 0.00 98 G 9.13 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 0.00 0.00 0.00 0.00 99 E 8.68 4.52 0.00 1.88 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 2.29 2.29 0.00 100 Q 9.20 4.28 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 *103 G 7.44 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 0.00 104 R 8.23 4.76 0.00 1.93 1.83 0.00 3.37 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 105 E 9.16 5.27 0.00 2.01 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 2.25 2.30 0.00 106 F 8.71 5.44 0.00 3.18 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 0.00 107 A 9.25 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.20 5.20 0.00 2.06 1.82 0.59 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 R 9.21 5.10 0.00 1.84 1.71 0.00 3.09 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 110 D 8.67 4.15 0.00 2.38 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 0.00 111 P 0.00 3.95 0.00 1.82 1.92 0.00 2.86 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 112 A 7.76 4.10 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 0.00 113 G 7.90 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 0.00 114 N 8.40 4.83 0.00 2.92 2.77 0.00 0.00 6.25 7.63 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 0.00 115 C 8.84 5.19 0.00 2.96 2.73 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 0.00 116 V 8.99 4.56 2.40 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 0.52 0.00 0.00 1.05 0.00 0.00 117 H 8.13 4.81 0.00 1.40 2.39 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.59 4.74 0.00 1.51 2.49 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 0.00 119 V 8.18 4.71 0.67 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 0.91 0.00 0.00 0.38 0.00 0.00 120 A 8.67 4.57 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 0.00 121 E 8.97 4.49 0.00 2.30 1.95 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 2.44 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.