NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 5.0986 0.0000 0.0000 62.5974 34.0864 174.8260 *3 C 4.6240 8.2834 120.4902 59.3981 32.7726 171.9010 4 E 4.9824 8.8796 125.1603 54.3432 32.2962 174.7889 5 L 4.6795 9.0289 126.4940 53.8484 43.6020 174.9020 6 I 4.8686 8.5970 129.0835 60.0163 39.1309 175.0130 7 T 5.1283 8.6267 121.0704 60.8449 71.0612 173.3172 8 N 4.8771 8.5555 123.0829 53.0146 38.2962 174.7495 9 I 4.2815 7.9302 121.8124 60.6121 38.0218 175.1506 10 S 4.2508 8.7891 120.8993 57.0558 62.8109 173.0041 11 I 4.6351 8.1303 120.6363 57.4096 40.6578 173.7981 12 P 4.4734 0.0000 0.0000 62.3028 33.4728 176.8165 13 D 4.3518 8.6218 118.7338 57.9895 40.6327 179.1001 14 D 4.3356 7.9921 118.5146 57.2666 40.8174 178.6268 15 K 3.8637 7.9347 119.4065 59.2053 32.1983 178.5587 16 A 3.6112 8.1006 121.4649 55.0869 18.2672 179.5134 17 Q 3.9029 8.3731 116.8993 59.2446 28.8102 178.8763 18 N 4.2758 8.3589 117.6423 56.6727 38.6110 177.6047 19 T 3.5694 8.0750 117.2393 66.6083 68.5774 176.7523 20 L 3.9805 8.2217 121.2513 57.8502 41.5204 179.7697 21 S 4.1179 8.1790 115.1014 61.6923 62.6957 176.6816 22 E 3.9549 8.1016 121.1905 59.3550 29.2054 179.4848 23 I 3.6643 7.8032 119.8238 64.4055 37.0949 178.1830 24 E 3.9767 8.6427 119.7275 59.7309 29.2457 179.2960 25 D 4.3184 8.5270 118.9077 57.2559 40.8636 178.6812 26 A 4.0307 8.2279 121.5752 55.0497 18.3428 179.8118 27 I 3.6697 7.8616 118.3537 64.6159 37.1911 178.5906 28 S 4.2074 8.2980 114.1835 61.5883 62.0038 175.9920 29 N 4.3774 8.3664 118.5199 56.2564 38.3551 177.2616 30 I 3.8768 7.6998 120.5595 64.3115 37.2358 178.1845 31 L 4.1851 7.9713 119.2786 55.7693 41.4423 178.3297 32 G 3.9498 8.0764 104.8812 45.8768 0.0000 173.1233 33 K 4.7090 7.6539 116.9598 53.0034 35.7031 174.5139 34 P 4.4453 0.0000 0.0000 63.2884 32.6228 176.6629 35 V 4.5175 7.9134 110.0843 60.3984 31.8761 176.9305 36 A 4.0087 7.9557 122.1801 54.5043 18.9890 178.2148 37 Y 4.3059 7.7883 111.0849 57.5632 38.7583 175.8159 38 I 3.8695 7.5426 121.2667 61.2643 38.6325 174.6482 39 M 4.8605 8.6808 127.4413 53.8747 33.7230 175.4219 40 S 5.3176 8.2952 115.3618 56.2091 66.9936 172.3676 41 N 4.8573 8.4165 116.7308 52.8161 42.3553 172.4553 42 Y 5.0064 8.7212 126.2961 56.2851 40.4177 174.6083 43 D 4.5254 9.0418 129.0952 52.4816 42.5858 174.4848 44 Y 4.3717 7.9659 128.0389 57.3796 39.5007 175.0139 45 Q 4.3109 8.9638 127.5438 53.1512 29.4876 176.4612 46 K 3.5781 7.7774 122.9214 59.1616 32.9224 178.3078 47 N 4.6375 7.7647 114.4368 52.7780 38.8094 174.7918 48 L 4.1011 7.7160 121.6692 55.0906 42.6763 176.3672 49 R 4.8842 8.2639 123.4724 54.3903 33.8198 174.7666 50 F 4.4893 8.3544 121.7115 57.8491 42.3079 174.7800 51 S 3.2874 8.9842 122.7964 59.4098 60.1315 173.3157 52 G 3.8509 8.6076 105.6741 45.2428 0.0000 173.8027 53 S 4.5722 7.8117 113.3887 56.4703 65.2619 173.4312 54 N 4.8998 8.6705 124.0640 53.4988 38.6973 174.5950 55 E 4.3001 8.0367 116.7371 55.2226 30.2161 176.8667 56 G 3.9243 8.4905 108.9200 46.9336 0.0000 172.3013 57 Y 5.0989 9.0568 123.6246 56.6047 43.0792 172.9525 58 C 4.9369 8.4484 123.3408 57.7153 31.9463 172.4868 59 F 5.2206 8.9432 126.5593 56.3696 41.4672 174.1148 60 V 4.4603 8.6858 126.4910 60.8781 33.9449 173.9028 61 R 4.5031 8.2658 128.4431 54.2228 32.7006 174.0725 62 L 4.8546 8.6855 126.4826 53.1292 44.8431 175.4808 63 T 4.9622 8.1613 119.7011 62.0973 71.8941 174.4715 64 S 3.9442 8.6703 123.2342 59.6447 61.0356 173.3121 65 I 4.2405 7.5234 121.1255 59.2975 37.6198 176.1595 66 G 3.6651 8.5014 115.6852 46.9813 0.0000 173.0109 67 G 3.9673 9.0277 112.9472 45.0244 0.0000 173.3602 68 I 4.2115 7.1043 121.2362 60.6321 38.0767 174.8552 69 N 4.7658 9.6395 121.5959 51.7884 40.0977 175.0674 70 R 3.9703 8.5611 116.7143 59.3448 30.0001 178.2472 71 S 4.3627 8.4405 111.4675 59.5826 63.6406 174.3202 72 N 4.9542 7.7904 115.8127 51.2693 38.8418 175.8162 73 N 3.8765 8.1430 118.3275 55.7388 37.0802 177.1905 74 S 4.0327 7.7769 115.0355 61.2021 62.6522 175.7006 75 L 3.9297 7.8256 122.5609 58.0006 41.7769 178.5446 76 L 3.9957 8.0977 120.2065 58.0526 41.9857 178.7490 77 A 4.1023 8.6465 121.2831 55.0667 18.2796 179.0906 78 D 4.2591 8.4571 116.7927 57.5312 41.3470 178.6465 79 K 3.9637 8.1198 118.8621 59.6210 31.9875 179.4279 80 I 3.6859 8.1830 120.4183 64.5493 36.8884 178.3999 81 T 3.8508 8.1605 116.8612 66.7296 68.3445 176.6581 82 K 3.9661 8.0334 120.0267 59.4894 32.0232 179.3862 83 I 3.7457 7.8635 120.0511 64.5897 36.9819 178.5863 84 L 4.0102 8.2134 120.1935 57.7034 41.1906 179.7316 85 S 4.3467 8.3772 116.0007 60.8243 62.6881 175.9533 86 N 4.3150 8.0403 119.8634 57.0551 38.8782 176.3340 87 H 4.3426 8.4799 116.8982 57.7898 29.0361 176.8655 88 L 4.5047 8.3650 118.8020 53.4458 41.9643 176.9139 89 S 4.1463 7.6137 113.8461 59.1106 61.5099 172.6862 90 V 4.0711 7.0473 118.6171 60.5634 32.4989 175.7132 91 K 4.2693 8.4607 121.7843 55.7758 32.9467 176.1430 92 P 4.2460 0.0000 0.0000 65.9072 31.3245 178.3065 93 R 4.3414 8.0630 111.2449 57.6562 29.8509 176.6291 94 R 4.9774 8.2269 119.0228 56.3750 31.2481 175.4277 95 V 4.6478 7.8969 118.5564 61.2026 34.2066 174.0998 96 Y 4.8753 8.7858 127.9804 55.9845 42.1926 173.5830 97 I 4.7434 8.0300 126.5614 59.2837 40.2535 174.3828 98 E 4.5881 8.8011 127.6318 54.2203 32.7778 174.1911 99 F 5.2221 8.9733 124.6495 55.7447 41.5400 174.9120 100 R 4.6826 9.3656 122.7291 54.3231 33.3486 173.9268 101 D 5.0673 8.9037 123.6172 53.0206 42.8670 174.6946 102 C 4.8357 8.1274 124.7071 57.6431 31.2834 172.6204 *106 N 4.5671 8.2996 117.0523 53.2155 37.6885 172.7009 107 F 4.9773 7.6900 112.1567 55.3568 41.2269 173.3397 108 A 4.7629 7.8494 121.7529 50.9408 21.8587 175.6549 109 F 4.8780 8.5341 117.5518 55.8265 43.1107 174.6324 110 S 4.7135 8.6346 119.3982 56.9003 63.5589 175.2698 111 G 3.9447 8.7416 115.5297 48.3403 0.0000 175.5652 112 S 4.1815 7.6746 113.9088 60.5160 62.9314 175.6114 113 L 3.9422 7.4638 120.6443 56.5213 41.4470 177.6458 114 F 4.7994 7.8967 116.1602 58.3048 41.2882 175.5500 *115 G 3.7274 7.9977 112.6003 45.7270 0.0000 172.2635 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 1 P 0.00 5.10 0.00 2.13 2.18 0.00 3.92 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 2.06 2.04 0.00 *3 C 8.28 4.62 0.00 2.98 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 4 E 8.88 4.98 0.00 1.94 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 2.19 1.99 0.00 5 L 9.03 4.68 0.00 1.73 1.83 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.60 4.87 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.54 1.01 0.00 0.00 7 T 8.63 5.13 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 1.53 0.00 0.00 8 N 8.56 4.88 0.00 2.89 3.04 0.00 0.00 6.92 7.69 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 9 I 7.93 4.28 2.03 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 1.29 0.69 0.99 0.00 0.00 10 S 8.79 4.25 0.00 3.68 3.75 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 11 I 8.13 4.64 1.67 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.10 0.83 0.00 0.00 12 P 0.00 4.47 0.00 2.23 2.16 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 13 D 8.62 4.35 0.00 2.69 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 14 D 7.99 4.34 0.00 2.65 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 15 K 7.93 3.86 0.00 1.74 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 16 A 8.10 3.61 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 17 Q 8.37 3.90 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 18 N 8.36 4.28 0.00 2.82 2.85 0.00 0.00 7.09 6.89 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 19 T 8.07 3.57 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 1.10 0.00 0.00 20 L 8.22 3.98 0.00 1.62 1.70 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.18 4.12 0.00 4.00 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 22 E 8.10 3.95 0.00 2.12 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 2.48 0.00 23 I 7.80 3.66 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.87 0.00 0.00 24 E 8.64 3.98 0.00 2.08 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 2.32 2.49 0.00 25 D 8.53 4.32 0.00 2.80 2.71 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 26 A 8.23 4.03 1.35 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 0.00 0.00 0.00 27 I 7.86 3.67 2.06 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 1.45 0.97 0.94 0.00 0.00 28 S 8.30 4.21 0.00 3.88 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 29 N 8.37 4.38 0.00 2.76 2.86 0.00 0.00 7.11 6.99 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 30 I 7.70 3.88 2.01 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 1.52 0.47 0.91 0.00 0.00 31 L 7.97 4.19 0.00 1.90 1.81 0.97 0.85 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 32 G 8.08 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 33 K 7.65 4.71 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.36 7.81 34 P 0.00 4.45 0.00 2.19 2.06 0.00 3.72 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 2.00 0.00 35 V 7.91 4.52 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 0.99 0.00 0.00 0.94 0.00 0.00 36 A 7.96 4.01 1.10 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 37 Y 7.79 4.31 0.00 3.03 3.04 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 38 I 7.54 3.87 1.98 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 1.31 0.77 0.98 0.00 0.00 39 M 8.68 4.86 0.00 1.92 2.09 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 2.58 2.48 0.00 40 S 8.30 5.32 0.00 3.87 3.76 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 41 N 8.42 4.86 0.00 2.83 2.63 0.00 0.00 6.36 7.56 0.00 0.00 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 Y 8.72 5.01 0.00 2.90 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 43 D 9.04 4.53 0.00 2.63 2.46 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 44 Y 7.97 4.37 0.00 2.45 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 45 Q 8.96 4.31 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 46 K 7.78 3.58 0.00 1.75 1.43 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.36 7.81 47 N 7.76 4.64 0.00 2.67 2.84 0.00 0.00 6.85 7.85 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 48 L 7.72 4.10 0.00 1.72 1.69 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.26 4.88 0.00 1.72 1.69 0.00 3.18 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 50 F 8.35 4.49 0.00 1.51 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 0.00 0.00 0.00 0.00 51 S 8.98 3.29 0.00 3.35 3.45 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 52 G 8.61 3.85 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 0.00 0.00 0.00 53 S 7.81 4.57 0.00 3.81 3.75 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 54 N 8.67 4.90 0.00 2.69 2.78 0.00 0.00 7.10 7.65 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 55 E 8.04 4.30 0.00 2.08 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 2.37 2.43 0.00 56 G 8.49 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 57 Y 9.06 5.10 0.00 3.21 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 58 C 8.45 4.94 0.00 2.65 2.63 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 0.00 0.00 0.00 0.00 59 F 8.94 5.22 0.00 3.01 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 60 V 8.69 4.46 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 0.70 0.00 0.00 0.77 0.00 0.00 61 R 8.27 4.50 0.00 0.85 1.26 0.00 3.15 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 62 L 8.69 4.85 0.00 1.18 1.46 0.14 0.49 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 63 T 8.16 4.96 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 1.21 0.00 0.00 64 S 8.67 3.94 0.00 3.98 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 65 I 7.52 4.24 1.93 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 1.37 1.61 0.95 0.00 0.00 66 G 8.50 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 0.00 0.00 0.00 67 G 9.03 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 68 I 7.10 4.21 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 1.40 0.98 0.79 0.00 0.00 69 N 9.64 4.77 0.00 2.80 2.86 0.00 0.00 6.65 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.56 3.97 0.00 1.77 2.01 0.00 3.18 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 71 S 8.44 4.36 0.00 3.93 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 72 N 7.79 4.95 0.00 2.86 2.97 0.00 0.00 6.03 6.96 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 73 N 8.14 3.88 0.00 1.44 2.11 0.00 0.00 6.51 7.05 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 74 S 7.78 4.03 0.00 3.87 3.87 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 75 L 7.83 3.93 0.00 1.78 1.76 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.10 4.00 0.00 1.94 1.95 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.65 4.10 1.51 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 78 D 8.46 4.26 0.00 2.82 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 79 K 8.12 3.96 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.68 7.81 80 I 8.18 3.69 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.83 0.00 0.00 81 T 8.16 3.85 4.43 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 1.22 0.00 0.00 82 K 8.03 3.97 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.81 7.81 83 I 7.86 3.75 1.99 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 1.67 0.79 0.86 0.00 0.00 84 L 8.21 4.01 0.00 1.65 1.69 0.85 1.09 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 85 S 8.38 4.35 0.00 4.09 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 0.00 86 N 8.04 4.31 0.00 2.76 3.13 0.00 0.00 7.28 7.17 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 87 H 8.48 4.34 0.00 3.20 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.37 4.50 0.00 1.91 1.70 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.61 4.15 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.05 4.07 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 0.83 0.00 0.00 0.98 0.00 0.00 91 K 8.46 4.27 0.00 1.92 1.83 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.52 7.81 92 P 0.00 4.25 0.00 2.21 2.16 0.00 3.63 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 2.15 2.12 0.00 93 R 8.06 4.34 0.00 2.04 2.13 0.00 3.07 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 94 R 8.23 4.98 0.00 1.92 2.35 0.00 3.21 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.77 0.00 95 V 7.90 4.65 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 0.68 0.00 0.00 0.96 0.00 0.00 96 Y 8.79 4.88 0.00 2.87 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 97 I 8.03 4.74 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.43 0.00 0.00 98 E 8.80 4.59 0.00 2.04 1.68 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 2.24 2.33 0.00 99 F 8.97 5.22 0.00 2.90 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 0.00 100 R 9.37 4.68 0.00 1.69 1.83 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 101 D 8.90 5.07 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 4.84 0.00 2.95 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 *106 N 8.30 4.57 0.00 2.71 2.83 0.00 0.00 5.67 7.43 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 0.00 107 F 7.69 4.98 0.00 2.85 2.84 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 0.00 108 A 7.85 4.76 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 0.00 109 F 8.53 4.88 0.00 3.19 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 0.00 110 S 8.63 4.71 0.00 3.93 3.75 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 0.00 111 G 8.74 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 0.00 112 S 7.67 4.18 0.00 3.93 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 0.00 113 L 7.46 3.94 0.00 0.27 1.06 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.90 4.80 0.00 3.15 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 *115 G 8.00 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.