NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4762 8.1693 120.6386 55.1335 43.1613 175.1565 8 H 4.8675 8.2029 113.8621 53.7877 31.3184 171.6454 9 K 4.6167 9.4313 121.3376 55.9177 33.8706 177.1423 10 E 4.9295 9.2123 122.4598 53.8731 33.6663 173.9319 11 P 4.8188 0.0000 0.0000 62.9044 32.4253 175.0792 12 A 4.7167 7.8186 120.9934 51.9741 21.8377 175.6540 13 T 4.7083 8.2455 108.8494 59.4071 72.4086 173.3094 14 L 4.2836 8.6232 125.6773 55.9414 42.4114 175.5841 15 I 4.3843 8.8630 126.4034 62.3858 39.0351 176.1005 16 K 4.5026 7.6490 121.4947 55.1354 35.7407 174.4238 17 A 4.5088 8.6556 130.9160 51.3881 17.6088 177.1991 18 I 3.9295 7.9941 123.1428 63.8599 37.9882 177.4073 19 D 4.5565 7.9511 119.2373 52.7524 41.8306 174.3775 20 G 4.0372 9.0828 107.3737 49.3003 0.0000 174.1464 21 D 4.8566 8.2359 117.8900 53.6442 42.2171 175.7452 22 T 5.8101 8.2855 109.8160 58.9710 72.3153 173.5008 23 V 4.7402 8.2120 115.1153 59.7470 36.6337 173.7543 24 K 5.0355 9.4869 126.3476 55.0549 33.9092 175.1588 25 L 5.2921 9.3040 126.6644 53.1818 46.7930 175.1454 26 M 4.9597 9.4758 122.1783 54.7630 33.6286 174.1517 27 Y 5.0232 8.8856 127.9650 56.1029 42.0154 175.6342 28 K 3.2940 9.2595 125.8677 57.4885 29.6776 176.4867 29 G 3.9606 8.4848 104.8475 45.5976 0.0000 173.8970 30 Q 4.8760 7.6810 119.3078 52.9501 31.8954 173.3759 31 P 4.9076 0.0000 0.0000 63.3079 32.3869 175.3596 32 M 4.7968 9.4217 122.2490 54.6265 36.3743 173.2504 33 T 4.9368 8.4761 122.1442 62.6112 70.6817 173.3846 34 F 5.1166 9.4204 125.7812 55.7132 41.3186 174.5871 35 R 4.8889 9.0008 124.6852 54.7984 31.5083 175.4036 36 L 4.5661 8.7343 127.8491 54.6207 41.7784 177.3548 37 L 3.9967 8.6001 124.0655 55.5442 43.0028 177.8240 38 L 4.6907 8.8186 119.0313 55.1866 39.3446 174.1704 39 V 5.1692 7.3917 110.3418 59.8175 36.1148 174.8438 40 D 4.7580 8.9333 121.5354 53.4623 44.1936 174.1536 41 T 5.0085 9.2425 123.7441 60.8991 70.4375 173.3555 42 P 4.3806 0.0000 0.0000 62.8284 31.9553 176.2158 43 E 4.0288 9.5407 121.6922 56.8411 30.1452 177.6208 *50 F 4.6860 8.4563 122.1771 58.3020 40.9169 175.4068 51 N 4.6020 8.2412 114.4749 52.7657 37.4728 174.0292 52 E 4.5460 7.7867 119.7150 54.3567 31.9373 175.0395 53 K 3.9727 8.1827 119.5054 58.0832 32.5651 177.3697 54 Y 4.0274 7.9099 119.1290 59.4871 35.4712 171.3419 55 G 3.5051 7.8204 108.0396 47.6182 0.0000 174.5901 56 P 4.2878 0.0000 0.0000 64.7856 31.1924 178.7552 57 E 4.0091 8.0750 116.9299 59.3887 29.4220 179.0059 58 A 4.1058 8.5957 121.2122 54.9724 18.3014 179.7467 59 S 4.0724 8.6351 111.9338 61.5183 62.6281 175.9930 60 A 4.0285 8.0787 123.5103 55.3761 18.1981 179.1344 61 F 4.0847 8.1810 118.5558 61.8819 39.4664 177.6003 62 T 3.7182 7.8865 114.9255 66.5054 68.2868 176.7432 63 K 3.8644 8.2400 120.6326 59.7693 32.1912 179.5691 64 K 3.9120 8.4993 118.7344 59.4030 31.8255 179.0339 65 M 3.8060 7.5668 118.0833 58.8362 31.8843 178.7247 66 V 3.6603 7.3297 110.4764 64.0387 31.8576 178.1655 67 E 4.1174 8.2588 118.1950 59.2217 29.4196 178.5720 68 N 4.4661 8.5440 115.4196 54.2563 39.1257 175.7632 69 A 4.3605 6.8569 122.9622 52.1498 19.0063 177.7063 70 K 4.1905 9.1541 121.4562 58.0106 32.9114 177.6040 71 K 4.5860 8.7360 120.4093 54.7132 35.3024 175.1489 72 I 5.0066 8.4972 127.7618 59.8007 39.3779 174.8741 73 E 4.9392 9.0817 124.3095 54.6322 34.0841 174.5884 74 V 4.2686 8.8826 122.8964 61.0894 34.2633 174.3250 75 E 4.9601 8.7201 127.5731 54.4382 32.1854 174.8051 76 F 4.6618 8.7177 125.6118 57.6002 40.2540 175.2516 77 D 5.0486 8.4388 120.2213 53.1748 43.2478 175.8640 78 K 4.3678 8.9307 117.5231 57.3623 33.0363 177.9728 79 G 4.2974 7.9172 110.0070 44.2633 0.0000 173.2843 80 Q 4.0113 8.5759 119.3711 56.8282 29.1408 177.3655 81 R 4.6198 8.3971 117.9413 56.4956 31.0436 175.9558 82 T 4.9642 7.2846 114.1846 61.8240 72.5330 173.4625 83 D 4.9996 8.9846 125.4032 50.9093 41.3811 177.1887 84 K 3.7331 8.1302 117.2730 59.6083 32.3483 177.1017 85 Y 4.4456 7.9992 115.9072 57.7581 38.0448 176.2528 86 G 3.8841 8.3343 108.4803 45.5232 0.0000 173.6569 87 R 4.3417 7.9405 118.8248 54.8835 31.7330 176.4919 88 G 3.5973 8.5137 110.9488 46.2361 0.0000 172.3753 89 L 5.3698 8.7636 121.5516 52.0093 44.2477 175.7540 90 A 4.3797 8.2995 123.8661 51.4175 23.1492 173.7200 91 Y 5.1100 8.6950 117.1648 56.0967 40.0871 175.3012 92 I 4.9207 8.1764 123.9047 59.7221 40.3393 173.9344 93 Y 4.9910 9.0937 123.9704 56.0588 41.1365 174.6636 94 A 4.8980 9.1498 125.2060 50.1724 21.5105 176.2065 95 D 4.3237 10.0894 124.9707 55.9825 39.1068 175.6370 96 G 4.0157 8.4680 105.5317 45.3573 0.0000 173.8290 97 K 4.4546 7.7697 120.3432 54.9935 33.5440 175.5702 98 M 3.8292 8.3950 123.3700 54.9019 33.1957 177.0314 99 V 3.5184 8.7298 127.0629 66.1371 31.6339 177.6160 100 N 4.3230 8.0595 115.7608 56.4933 38.3554 176.8447 101 E 4.0044 8.0307 119.7366 59.1781 29.7573 178.3350 102 A 4.0806 8.1803 120.9132 55.1672 18.4322 179.7893 103 K 4.0711 8.2656 116.9277 59.7389 32.1958 179.7914 104 V 3.8966 7.4631 118.7830 65.5377 31.2470 177.9930 105 R 4.1701 8.1321 117.5204 58.7994 29.8466 177.4720 106 Q 4.4523 7.4204 115.7368 54.5967 29.3645 175.4492 107 G 3.8075 8.0611 108.1880 47.2332 0.0000 174.9941 108 L 4.5671 7.3775 115.8911 53.2501 42.6537 176.4398 109 A 4.4783 7.1229 118.3787 51.5125 22.3428 176.0779 110 K 4.8973 8.2648 118.5530 54.1299 35.8630 176.2209 111 V 4.2805 9.0064 124.0256 63.5834 32.3706 174.9254 112 A 4.3273 9.1458 127.7884 51.0535 23.4564 174.9282 113 Y 3.2436 7.7042 113.4739 59.0348 35.3794 173.0258 114 V 3.9042 7.4615 119.0653 62.4274 31.2164 173.8908 115 Y 4.7631 8.2373 125.1304 55.4201 39.8976 175.7493 116 K 3.9261 8.7930 122.5478 58.6632 32.4687 176.4146 117 G 4.1050 9.4056 112.0498 45.1500 0.0000 173.0745 118 N 5.3335 8.0743 115.9326 52.6638 38.8523 174.1092 119 N 5.2246 7.7826 110.4023 52.8191 38.9947 176.9647 120 T 3.8496 8.5322 117.8231 67.8218 68.6340 174.9553 121 H 4.8178 8.0694 115.9004 55.7886 29.1224 176.5753 122 E 3.9851 8.3582 122.6188 59.9690 29.3563 179.2249 123 Q 4.1534 8.0548 117.1914 58.5808 28.8937 178.4096 124 L 3.9697 7.8347 121.2418 58.1202 42.2845 178.8264 125 L 4.0729 8.2430 119.2206 57.8215 41.4714 179.7139 126 R 3.9735 8.5325 118.6263 59.0177 29.9602 178.9868 127 K 3.8957 8.1980 119.4084 59.3266 32.1580 178.8030 128 A 4.0057 7.8337 120.8309 55.0121 18.3018 179.2608 129 E 3.9844 8.3742 117.7834 59.2077 29.6860 178.8462 130 A 3.7997 8.1487 121.1387 55.1231 17.0828 179.4373 131 Q 3.8423 8.2434 117.9047 59.1949 29.1198 178.2546 132 A 4.3429 8.1826 121.8981 54.7283 17.6861 179.9390 133 K 3.5373 7.8841 117.2301 59.4840 31.9521 179.3031 134 K 4.3252 7.6050 118.4284 58.9978 31.9416 177.1932 135 E 4.5178 7.3169 115.7446 54.6194 30.1413 175.5980 136 K 4.1019 9.4196 117.5250 56.8804 30.8109 174.8875 137 L 4.0834 8.0607 120.1141 56.7164 44.1227 176.4976 138 N 3.6812 8.7323 122.0691 53.5473 38.6569 177.9154 139 I 2.7869 6.3132 124.2346 63.6845 37.0838 176.4704 140 W 4.8134 7.9308 119.8705 56.9037 29.4019 176.4355 141 S 4.4550 8.4884 119.6260 58.3053 62.5880 173.8972 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 7 L 8.17 4.48 0.00 1.86 1.80 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.20 4.87 0.00 3.17 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.43 4.62 0.00 1.54 1.62 0.00 1.32 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.00 1.21 7.81 10 E 9.21 4.93 0.00 2.08 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 0.00 2.43 2.38 0.00 11 P 0.00 4.82 0.00 1.96 2.00 0.00 3.79 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 2.04 2.11 0.00 12 A 7.82 4.72 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 13 T 8.25 4.71 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 14 L 8.62 4.28 0.00 1.65 1.61 0.99 1.02 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 15 I 8.86 4.38 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.93 0.00 0.00 16 K 7.65 4.50 0.00 1.79 1.60 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 17 A 8.66 4.51 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 18 I 7.99 3.93 2.02 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 1.46 0.76 0.88 0.00 0.00 19 D 7.95 4.56 0.00 2.69 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 20 G 9.08 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 21 D 8.24 4.86 0.00 2.72 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 22 T 8.29 5.81 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 1.21 0.00 0.00 23 V 8.21 4.74 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 0.72 0.00 0.00 0.99 0.00 0.00 24 K 9.49 5.04 0.00 1.82 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.45 7.81 25 L 9.30 5.29 0.00 1.74 1.66 0.38 0.46 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 26 M 9.48 4.96 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 27 Y 8.89 5.02 0.00 3.29 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 28 K 9.26 3.29 0.00 1.57 1.67 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.00 0.21 7.81 29 G 8.48 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 0.00 0.00 0.00 30 Q 7.68 4.88 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 31 P 0.00 4.91 0.00 2.11 2.09 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.42 4.80 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.86 0.00 33 T 8.48 4.94 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 1.22 0.00 0.00 34 F 9.42 5.12 0.00 2.90 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 35 R 9.00 4.89 0.00 1.89 1.79 0.00 3.32 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 36 L 8.73 4.57 0.00 1.57 1.80 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.60 4.00 0.00 1.06 1.35 0.26 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.82 4.69 0.00 2.04 1.90 1.21 1.22 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 39 V 7.39 5.17 2.15 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 0.72 0.00 0.00 1.11 0.00 0.00 40 D 8.93 4.76 0.00 2.98 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 41 T 9.24 5.01 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 42 P 0.00 4.38 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 43 E 9.54 4.03 0.00 2.01 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 0.00 2.37 2.44 0.00 *50 F 8.46 4.69 0.00 2.95 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 51 N 8.24 4.60 0.00 2.87 2.96 0.00 0.00 5.91 7.66 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 52 E 7.79 4.55 0.00 2.15 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 2.24 2.26 0.00 53 K 8.18 3.97 0.00 1.74 1.58 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.39 7.81 54 Y 7.91 4.03 0.00 3.12 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 55 G 7.82 3.51 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 56 P 0.00 4.29 0.00 1.99 1.86 0.00 3.37 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 1.69 1.02 0.00 57 E 8.07 4.01 0.00 2.33 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 0.00 2.41 2.44 0.00 58 A 8.60 4.11 1.49 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 59 S 8.64 4.07 0.00 4.20 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 60 A 8.08 4.03 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 61 F 8.18 4.08 0.00 3.22 3.28 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 62 T 7.89 3.72 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 1.31 0.00 0.00 63 K 8.24 3.86 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 64 K 8.50 3.91 0.00 1.70 1.80 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.59 7.81 65 M 7.57 3.81 0.00 1.92 1.58 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 66 V 7.33 3.66 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 0.73 0.00 0.00 0.95 0.00 0.00 67 E 8.26 4.12 0.00 1.94 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 2.33 2.47 0.00 68 N 8.54 4.47 0.00 2.69 2.85 0.00 0.00 7.00 7.39 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 69 A 6.86 4.36 1.34 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 0.00 0.00 70 K 9.15 4.19 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 71 K 8.74 4.59 0.00 1.76 1.71 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.40 7.81 72 I 8.50 5.01 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.84 0.00 0.00 73 E 9.08 4.94 0.00 1.90 1.73 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 2.20 2.22 0.00 74 V 8.88 4.27 1.85 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 -0.16 0.00 0.00 0.25 0.00 0.00 75 E 8.72 4.96 0.00 2.14 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 2.46 2.51 0.00 76 F 8.72 4.66 0.00 3.02 2.95 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 77 D 8.44 5.05 0.00 2.69 2.95 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 78 K 8.93 4.37 0.00 1.91 1.88 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 7.92 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 0.00 0.00 0.00 80 Q 8.58 4.01 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 81 R 8.40 4.62 0.00 1.62 1.50 0.00 2.59 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.43 0.00 82 T 7.28 4.96 4.16 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 1.20 0.00 0.00 83 D 8.98 5.00 0.00 2.72 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 84 K 8.13 3.73 0.00 1.55 1.71 0.00 1.20 0.00 0.00 1.41 0.00 0.00 2.68 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.73 0.21 7.81 85 Y 8.00 4.45 0.00 3.10 2.92 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 86 G 8.33 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 87 R 7.94 4.34 0.00 2.03 1.88 0.00 3.13 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 88 G 8.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 5.37 0.00 1.54 1.57 0.86 0.57 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 90 A 8.30 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.69 5.11 0.00 3.00 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 92 I 8.18 4.92 1.76 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.00 0.85 0.00 0.00 93 Y 9.09 4.99 0.00 2.89 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 94 A 9.15 4.90 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 95 D 10.09 4.32 0.00 2.74 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 96 G 8.47 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 97 K 7.77 4.45 0.00 1.96 1.74 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 98 M 8.39 3.83 0.00 1.83 1.52 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.11 0.00 99 V 8.73 3.52 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 0.94 0.00 0.00 0.88 0.00 0.00 100 N 8.06 4.32 0.00 2.87 2.96 0.00 0.00 6.74 7.66 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 0.00 101 E 8.03 4.00 0.00 1.97 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 0.00 2.38 2.36 0.00 102 A 8.18 4.08 1.52 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 0.00 0.00 103 K 8.27 4.07 0.00 2.08 1.96 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.80 7.81 104 V 7.46 3.90 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 1.26 0.00 0.00 1.06 0.00 0.00 105 R 8.13 4.17 0.00 1.95 2.14 0.00 3.47 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.42 4.45 0.00 1.41 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.44 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 107 G 8.06 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 0.00 0.00 0.00 108 L 7.38 4.57 0.00 1.32 1.53 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.12 4.48 1.22 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 0.00 0.00 110 K 8.26 4.90 0.00 1.74 1.81 0.00 1.84 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.19 7.81 111 V 9.01 4.28 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 0.75 0.00 0.00 1.05 0.00 0.00 112 A 9.15 4.33 1.15 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 0.00 0.00 113 Y 7.70 3.24 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 0.00 114 V 7.46 3.90 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 0.93 0.00 0.00 0.93 0.00 0.00 115 Y 8.24 4.76 0.00 3.06 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 0.00 116 K 8.79 3.93 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.58 7.81 117 G 9.41 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 0.00 118 N 8.07 5.33 0.00 2.78 2.81 0.00 0.00 6.75 8.14 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 0.00 119 N 7.78 5.22 0.00 3.00 3.02 0.00 0.00 6.09 7.22 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 0.00 120 T 8.53 3.85 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 1.09 0.00 0.00 121 H 8.07 4.82 0.00 2.96 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 3.99 0.00 2.14 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 2.34 2.40 0.00 123 Q 8.05 4.15 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.83 3.97 0.00 1.75 1.82 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.24 4.07 0.00 1.96 1.75 0.98 1.27 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 R 8.53 3.97 0.00 1.81 1.96 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 127 K 8.20 3.90 0.00 1.94 1.97 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 128 A 7.83 4.01 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 0.00 129 E 8.37 3.98 0.00 2.15 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 0.00 2.15 2.59 0.00 130 A 8.15 3.80 1.28 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 0.00 131 Q 8.24 3.84 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 132 A 8.18 4.34 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.54 0.00 1.62 1.45 0.00 1.10 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.41 7.81 134 K 7.61 4.33 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 135 E 7.32 4.52 0.00 2.23 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 2.24 2.34 0.00 136 K 9.42 4.10 0.00 1.87 1.99 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.37 7.81 137 L 8.06 4.08 0.00 1.98 1.59 0.92 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 0.00 138 N 8.73 3.68 0.00 2.65 1.42 0.00 0.00 6.87 7.32 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 0.00 139 I 6.31 2.79 1.16 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.36 0.45 0.00 0.00 140 W 7.93 4.81 0.00 3.18 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 0.00 141 S 8.49 4.46 0.00 3.97 4.16 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 * Residues marked with a * may have inaccurate shift predictions.