NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.5428 8.4444 120.3939 55.7906 30.0249 172.0867 *6 K 4.0438 8.2065 127.2862 56.0276 32.9464 174.8832 7 S 4.8388 8.2201 117.1723 56.6835 65.5968 173.1874 8 H 4.7372 8.4009 117.6751 54.3973 31.7313 174.0352 9 N 4.6999 8.4918 122.9483 51.7889 37.0532 175.6347 10 L 4.0953 8.1670 122.1525 56.5447 42.1571 178.1085 11 L 4.6029 7.6695 116.5424 54.3815 42.2452 176.9516 12 E 4.0409 8.3169 121.4084 58.8128 29.9045 177.4355 13 A 4.6374 7.3533 119.1568 50.2075 18.9853 174.7091 14 V 3.6411 7.7232 120.7313 61.7081 32.7346 175.4189 15 R 4.6165 8.0692 122.8122 54.2138 31.7301 174.8003 16 F 4.8998 8.7132 119.0562 55.5906 42.0102 174.1272 17 D 4.9613 8.4246 121.1801 52.3022 43.7298 175.4164 18 D 4.5118 8.9152 125.8038 57.2832 41.5646 177.1098 19 Q 4.2723 8.3547 117.1841 57.8709 29.2438 175.8211 20 R 4.5658 7.6087 111.1156 54.3305 31.7656 174.2121 21 F 4.5617 8.5641 114.2743 57.8650 38.5719 174.8981 22 V 4.0435 8.4136 120.7004 61.6304 34.4745 173.8863 *24 E 4.1969 8.3945 119.3348 55.8229 30.8443 175.3956 25 L 4.1629 8.4674 127.1345 55.3951 42.3383 176.0448 26 V 3.9955 8.6758 126.7542 64.7231 32.7310 175.4202 27 H 4.8910 7.6419 118.1748 54.9040 33.4164 171.6454 28 E 5.0993 8.3698 125.0133 54.8485 32.3937 174.2810 29 S 4.6973 8.9543 120.8739 56.7253 66.3250 173.6073 30 E 4.1174 8.6842 117.1463 58.9957 29.6517 178.0310 31 N 4.4048 7.9514 116.9765 55.5403 39.0834 174.8644 32 F 5.1466 7.6862 110.2406 55.9970 41.3218 172.4143 33 K 5.0616 8.8710 121.3303 54.7487 34.6807 174.6991 34 I 4.9355 9.1721 128.2099 59.6083 40.1269 174.9851 35 V 4.8710 8.9597 120.2881 59.4695 35.8069 174.7584 36 S 5.2539 8.6385 119.0781 56.6634 65.4766 173.4257 37 F 4.8655 8.9212 119.6502 55.9779 42.6882 174.0254 38 T 4.7302 8.6253 119.5909 61.6880 71.0386 172.9280 39 F 5.5322 8.8577 124.5244 55.5873 42.5145 175.3716 40 K 4.3307 9.7118 122.1551 55.3513 32.8537 176.4391 41 A 4.1057 8.6246 124.3910 54.4925 18.4628 178.1207 42 G 4.0348 9.1055 112.4796 45.2476 0.0000 173.9457 43 Q 4.5209 8.2515 118.7578 56.0246 30.2258 174.8283 44 E 4.7920 8.7322 120.5110 54.7152 33.3787 174.0587 45 L 4.2732 8.6551 128.8204 52.8470 43.1806 174.1115 46 P 4.6360 0.0000 0.0000 62.3077 32.2997 176.6163 47 V 3.8359 8.2998 123.0998 63.7742 31.9419 174.6793 48 H 5.0667 8.8540 122.7000 54.9338 32.4639 171.9738 49 S 4.9991 8.0715 111.4028 58.0073 65.5230 173.7705 50 H 4.8098 8.8736 117.5184 54.1598 32.1844 173.7819 51 N 4.9170 8.8445 121.5631 51.9087 36.8632 173.8203 52 I 4.6236 7.2422 119.1846 58.9617 41.5926 174.3643 53 E 4.0649 8.4457 124.7472 56.8787 30.0684 175.6497 54 G 4.1141 7.9900 106.2808 43.7044 0.0000 172.1557 55 E 5.3513 9.2642 118.9277 54.2989 34.2295 175.0213 56 L 5.4403 9.1253 120.8152 54.0208 44.4349 175.0459 57 N 5.4633 9.1081 117.2900 51.2865 40.8136 173.1014 58 I 4.9867 8.6793 122.2465 59.5744 40.5636 174.4386 59 V 4.8667 8.8559 127.2970 61.0188 34.4946 174.4438 60 V 4.2566 8.9138 128.7970 62.3081 31.7149 176.3337 61 L 4.3147 8.8450 129.5205 57.1815 42.3050 177.5313 62 E 4.5393 8.1096 116.7509 55.8047 32.6844 175.7895 63 G 4.1289 8.9991 112.8560 45.5861 0.0000 171.9224 64 E 4.7750 8.5972 116.4224 55.0750 33.9803 175.3207 65 G 3.9655 8.7272 110.4391 45.8382 0.0000 171.3182 66 E 4.9795 8.8939 120.8509 54.5402 34.2929 175.0161 67 F 4.9831 8.9789 123.1809 57.0091 40.5397 174.8387 68 V 4.7306 9.1023 123.8138 61.3886 34.3320 175.0957 69 G 4.2384 8.8433 115.4709 43.8117 0.0000 170.9880 70 D 4.2895 8.7228 118.7718 55.7923 41.6254 177.8271 71 G 3.9915 9.1877 112.4321 46.3125 0.0000 173.0512 72 D 4.3748 7.9546 115.8978 54.7114 39.0864 173.9149 73 A 4.2582 7.7077 120.5220 52.1951 19.3533 178.0564 74 V 5.0363 8.3519 113.9184 59.5709 35.7543 175.1633 75 I 4.6432 8.6034 123.3642 58.7177 40.4437 173.4561 76 P 4.4087 0.0000 0.0000 62.8883 32.1015 176.5233 77 A 4.4357 8.6352 124.9225 49.2323 18.5872 173.5386 78 P 4.8487 0.0000 0.0000 61.0883 33.8457 176.8359 79 R 3.9907 8.7343 121.1222 58.1671 30.1443 176.9255 80 G 3.9472 9.2438 113.2820 45.1068 0.0000 173.4504 81 A 4.4995 8.0722 122.5832 51.7096 19.8544 177.0274 82 V 4.9144 8.3476 119.6897 59.8698 34.0817 174.5009 83 L 4.1825 8.5020 127.7964 53.1595 43.7586 174.9949 84 V 4.8270 8.0489 125.0418 61.1096 33.9672 174.2243 85 A 4.6750 8.7217 127.7160 49.8514 23.3266 173.9408 86 P 4.6575 0.0000 0.0000 62.4813 32.3179 178.0729 87 I 3.7589 8.6021 123.1493 64.4744 37.1720 178.5492 88 S 4.6187 7.8496 112.3682 59.6918 63.4429 174.0778 89 T 4.2749 7.4392 118.8643 62.1448 68.7851 173.0789 90 P 4.5498 0.0000 0.0000 63.5442 32.4750 174.9498 91 H 5.1479 9.0805 119.5872 54.3010 32.4833 172.6150 92 G 4.5117 9.0542 107.1633 45.4676 0.0000 171.4399 93 V 4.9263 8.3926 118.6371 60.8904 35.3200 173.9787 94 R 4.7275 8.7582 126.9699 54.3075 33.3385 173.6972 95 A 4.4584 8.4942 128.5038 51.3551 19.8529 177.7657 96 V 3.7984 8.6554 123.6710 64.7413 32.5126 176.0315 97 T 4.5715 7.5336 107.5356 59.0889 71.4208 173.0966 98 D 4.9319 8.2216 120.0673 53.9630 41.5067 175.6296 *100 K 4.6142 8.2988 121.0772 56.6989 33.6494 174.9240 101 V 5.1286 9.0999 119.9097 59.4695 36.1092 174.0782 102 L 5.2191 8.9762 124.2288 53.3316 44.9796 175.1423 103 V 4.9103 9.4210 126.4360 61.4177 34.4119 174.0989 104 T 4.9651 8.8420 124.1289 61.7785 71.6267 172.8901 105 I 4.9689 8.9593 127.3468 59.4049 40.4077 174.6699 106 A 4.9717 9.1165 128.5306 49.7146 22.2224 174.0283 107 P 4.8639 0.0000 0.0000 61.4588 32.4874 174.7017 108 P 4.5166 0.0000 0.0000 62.6257 32.1702 176.5790 109 I 3.9546 8.1566 119.1450 61.8027 37.1071 176.0683 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 H 8.44 4.54 0.00 3.10 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 K 8.21 4.04 0.00 1.71 1.70 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.30 7.81 7 S 8.22 4.84 0.00 3.95 3.77 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 8 H 8.40 4.74 0.00 3.07 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.49 4.70 0.00 2.74 2.76 0.00 0.00 7.13 6.74 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 10 L 8.17 4.10 0.00 1.62 1.70 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.67 4.60 0.00 1.62 1.67 0.99 0.90 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 12 E 8.32 4.04 0.00 2.07 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 2.32 2.25 0.00 13 A 7.35 4.64 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 14 V 7.72 3.64 2.05 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 0.37 0.00 0.00 0.92 0.00 0.00 15 R 8.07 4.62 0.00 1.86 1.80 0.00 2.98 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 0.00 16 F 8.71 4.90 0.00 3.04 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 17 D 8.42 4.96 0.00 2.58 2.68 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 18 D 8.92 4.51 0.00 2.68 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 19 Q 8.35 4.27 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 20 R 7.61 4.57 0.00 1.42 1.71 0.00 2.91 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.36 0.00 21 F 8.56 4.56 0.00 2.71 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 22 V 8.41 4.04 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 0.98 0.00 0.00 0.94 0.00 0.00 *24 E 8.39 4.20 0.00 1.83 1.79 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 2.19 2.17 0.00 25 L 8.47 4.16 0.00 1.57 1.51 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.68 4.00 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 0.45 0.00 0.00 0.79 0.00 0.00 27 H 7.64 4.89 0.00 3.19 2.97 0.00 5.87 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 28 E 8.37 5.10 0.00 1.93 1.72 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 2.18 2.31 0.00 29 S 8.95 4.70 0.00 4.01 3.91 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 0.00 0.00 0.00 30 E 8.68 4.12 0.00 2.09 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 2.25 2.30 0.00 31 N 7.95 4.40 0.00 2.30 2.36 0.00 0.00 6.79 8.46 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 32 F 7.69 5.15 0.00 3.01 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 33 K 8.87 5.06 0.00 1.90 1.71 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 34 I 9.17 4.94 1.69 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.04 0.74 0.00 0.00 35 V 8.96 4.87 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 0.79 0.00 0.00 1.08 0.00 0.00 36 S 8.64 5.25 0.00 3.83 3.72 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 37 F 8.92 4.87 0.00 2.91 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 0.00 0.00 0.00 38 T 8.63 4.73 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 0.53 0.00 0.00 39 F 8.86 5.53 0.00 3.06 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 40 K 9.71 4.33 0.00 1.93 1.73 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.69 7.81 41 A 8.62 4.11 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 G 9.11 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 43 Q 8.25 4.52 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 44 E 8.73 4.79 0.00 1.91 1.81 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 2.17 2.37 0.00 45 L 8.66 4.27 0.00 1.39 1.26 0.32 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.64 0.00 2.02 2.01 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 47 V 8.30 3.84 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 0.77 0.00 0.00 1.01 0.00 0.00 48 H 8.85 5.07 0.00 3.12 3.30 0.00 5.35 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.07 5.00 0.00 3.97 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 50 H 8.87 4.81 0.00 3.16 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.84 4.92 0.00 2.73 2.80 0.00 0.00 6.78 7.45 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 52 I 7.24 4.62 1.90 0.00 0.00 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 1.43 0.70 0.94 0.00 0.00 53 E 8.45 4.06 0.00 2.00 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 2.32 2.25 0.00 54 G 7.99 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 55 E 9.26 5.35 0.00 1.84 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 2.29 2.21 0.00 56 L 9.13 5.44 0.00 1.71 1.67 0.79 0.41 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 57 N 9.11 5.46 0.00 2.83 2.87 0.00 0.00 6.98 8.53 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 58 I 8.68 4.99 1.83 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 1.13 0.73 1.15 0.00 0.00 59 V 8.86 4.87 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 0.98 0.00 0.00 60 V 8.91 4.26 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 0.79 0.00 0.00 1.00 0.00 0.00 61 L 8.85 4.31 0.00 1.70 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.11 4.54 0.00 1.89 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 2.28 2.44 0.00 63 G 9.00 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 0.00 0.00 0.00 0.00 64 E 8.60 4.78 0.00 1.80 1.72 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 2.20 2.37 0.00 65 G 8.73 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 66 E 8.89 4.98 0.00 1.70 1.69 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 2.11 2.15 0.00 67 F 8.98 4.98 0.00 2.95 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 68 V 9.10 4.73 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 1.02 0.00 0.00 0.88 0.00 0.00 69 G 8.84 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 70 D 8.72 4.29 0.00 2.75 2.55 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 71 G 9.19 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 0.00 0.00 0.00 72 D 7.95 4.37 0.00 2.78 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 73 A 7.71 4.26 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 74 V 8.35 5.04 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 0.81 0.00 0.00 0.98 0.00 0.00 75 I 8.60 4.64 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 1.07 0.00 0.00 76 P 0.00 4.41 0.00 1.91 1.94 0.00 3.64 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 2.02 2.08 0.00 77 A 8.64 4.44 0.06 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 78 P 0.00 4.85 0.00 2.11 2.17 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 79 R 8.73 3.99 0.00 1.94 1.90 0.00 3.30 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 80 G 9.24 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 0.00 0.00 0.00 81 A 8.07 4.50 1.46 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 0.00 0.00 82 V 8.35 4.91 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 0.75 0.00 0.00 0.94 0.00 0.00 83 L 8.50 4.18 0.00 0.27 0.67 0.49 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.05 4.83 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 0.85 0.00 0.00 0.87 0.00 0.00 85 A 8.72 4.67 1.09 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 0.00 0.00 86 P 0.00 4.66 0.00 2.18 1.97 0.00 3.57 0.00 0.00 3.73 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 87 I 8.60 3.76 1.89 0.00 0.00 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 1.36 0.56 1.04 0.00 0.00 88 S 7.85 4.62 0.00 3.99 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 89 T 7.44 4.27 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 1.20 0.00 0.00 90 P 0.00 4.55 0.00 2.13 1.97 0.00 3.55 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 91 H 9.08 5.15 0.00 3.05 3.25 0.00 5.27 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 92 G 9.05 4.51 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 0.00 93 V 8.39 4.93 1.69 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 0.62 0.00 0.00 0.94 0.00 0.00 94 R 8.76 4.73 0.00 1.72 1.56 0.00 3.28 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 95 A 8.49 4.46 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 96 V 8.66 3.80 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 0.77 0.00 0.00 0.85 0.00 0.00 97 T 7.53 4.57 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 1.20 0.00 0.00 98 D 8.22 4.93 0.00 2.77 2.81 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 *100 K 8.30 4.61 0.00 1.86 1.76 0.00 1.53 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.63 7.81 101 V 9.10 5.13 2.33 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 0.91 0.00 0.00 1.30 0.00 0.00 102 L 8.98 5.22 0.00 1.72 1.49 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.42 4.91 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 1.09 0.00 0.00 1.17 0.00 0.00 104 T 8.84 4.97 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 1.03 0.00 0.00 105 I 8.96 4.97 1.92 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 1.20 0.81 0.96 0.00 0.00 106 A 9.12 4.97 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 0.00 107 P 0.00 4.86 0.00 1.96 2.01 0.00 3.69 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 2.03 2.08 0.00 108 P 0.00 4.52 0.00 2.21 2.11 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 109 I 8.16 3.95 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.