NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.2352 8.1701 110.9377 61.6183 70.2988 172.9849 9 A 3.9333 8.3359 122.3613 52.3287 18.6978 175.1711 10 R 4.8153 7.5964 117.5914 54.5045 31.9083 173.7485 11 T 4.4468 8.3945 115.4012 59.4469 71.2636 173.9207 12 D 4.4689 8.3261 122.2552 56.4554 41.7174 175.9857 13 Y 5.2651 6.9771 115.7172 54.6211 39.4418 175.1649 14 W 5.1818 8.0342 115.3555 55.8358 30.1904 175.6252 15 L 3.9655 7.2539 118.9355 55.0690 41.5199 176.2237 16 Q 4.6335 8.2233 119.8766 53.2184 32.4857 173.3580 17 P 4.5034 0.0000 0.0000 63.8475 32.3139 176.6445 18 E 4.1785 9.1946 117.1259 56.8082 27.5561 174.1246 19 I 4.8915 7.0410 112.5943 59.4277 40.6109 174.4330 20 I 4.7585 8.4574 124.7149 60.6045 38.1803 175.7251 21 V 4.7784 8.8492 118.8877 59.4705 36.4324 174.0585 22 K 4.9784 9.0039 123.3124 54.7643 34.7164 175.0211 23 I 4.5248 8.7972 129.0799 60.7512 38.2511 176.2117 24 I 4.6440 8.7514 119.8974 60.7588 38.3011 175.1186 25 T 4.6653 8.1062 115.7203 60.9198 69.7138 173.9339 26 K 4.4689 8.2269 123.6057 56.2999 32.8338 178.7342 27 K 3.9798 8.0981 119.1276 58.6438 32.0171 177.7501 28 L 4.5509 7.9585 116.4300 53.9108 42.3380 175.3837 29 G 4.1240 8.1057 108.3157 43.9117 0.0000 175.6894 30 E 3.9957 8.9844 122.7815 58.7231 29.9300 179.0257 31 K 3.6112 7.9790 119.2405 59.4990 32.0924 176.6852 32 Y 4.5669 7.4694 114.1390 58.7267 38.4949 174.9415 33 H 4.6130 7.8144 120.8906 57.1879 30.1962 175.1425 34 K 3.9488 8.9036 125.1786 56.7898 30.2621 175.7220 35 K 4.6264 7.7922 118.9258 55.1071 34.2660 176.2412 36 K 4.9752 8.5167 121.6906 56.1029 34.2018 175.4537 37 A 5.1769 9.0146 123.1687 50.9514 23.4883 174.8641 38 I 4.6959 8.5740 120.1719 59.6524 39.7354 175.7433 39 V 3.9974 8.6318 127.2734 62.8321 31.5146 176.5645 40 K 4.1572 9.0298 129.2961 58.8953 32.9798 177.2302 41 E 4.6958 7.8692 118.1430 54.9579 33.1612 173.8751 42 V 4.7568 8.3178 124.8921 61.1489 33.8927 174.5636 43 I 4.2979 8.7779 128.6620 59.7450 39.6630 175.6937 44 D 4.5034 9.3942 128.0196 55.4224 38.4059 174.1190 45 K 3.9419 7.9232 123.8216 57.2379 31.1523 177.3500 46 Y 4.3755 7.4861 113.2720 58.2025 39.8813 175.2986 47 T 5.0404 7.8300 116.3845 61.5007 71.5520 172.9938 48 A 4.9913 8.9555 128.1292 50.2902 21.9185 175.7408 49 V 4.4795 8.7149 122.1879 61.7088 33.0747 175.2734 50 V 4.9191 8.8009 121.5589 59.3496 35.4468 174.6616 51 K 4.9459 8.7312 124.4380 54.6430 34.6482 175.3191 52 M 4.5143 8.9673 128.4420 55.5861 32.5254 177.9436 53 I 3.7182 8.6658 125.0114 64.7565 37.6068 177.6959 54 D 4.4959 8.1433 118.7972 57.2726 40.9327 177.8575 55 S 4.2753 8.0996 111.5387 58.6538 63.6885 175.3822 56 G 3.9550 8.2402 108.0926 45.4076 0.0000 173.4769 57 D 4.5709 8.0935 120.3563 54.3963 42.0927 175.4074 58 K 4.9655 8.4743 121.2739 55.1983 33.7111 175.9381 59 L 4.7972 8.7227 123.2895 52.9003 46.5275 175.3057 60 K 5.0602 8.5451 120.4184 54.7935 34.1930 175.7848 61 L 4.8306 8.8389 124.3479 52.7161 46.3635 175.9601 62 D 4.8469 8.8322 122.1297 53.8697 42.1701 176.9525 63 Q 3.7662 8.6968 122.3563 59.3453 28.4319 178.8597 64 T 4.1739 8.2723 107.3458 63.7817 69.0472 174.3966 65 H 5.0758 8.3658 119.3586 55.6129 29.8822 174.1229 66 L 5.4670 8.2689 117.8318 53.0417 45.5923 175.5674 67 E 4.8920 9.2643 121.5917 54.3620 33.2729 175.2174 68 T 4.3715 8.3133 115.4722 61.8416 70.1573 173.3247 69 V 4.2580 8.4529 122.7169 61.2494 33.9256 174.5565 70 I 4.3391 8.1096 129.2722 59.0175 37.5645 173.9583 71 P 4.5191 0.0000 0.0000 61.1994 33.0494 175.6078 72 A 4.1372 8.1847 120.2685 51.2169 18.8165 175.1938 73 P 4.5287 0.0000 0.0000 64.7149 31.7064 177.1478 74 G 3.9768 9.3476 111.7957 44.8509 0.0000 173.5968 75 K 4.4927 7.7198 119.1039 55.1777 34.6050 175.7923 76 R 4.8569 8.3800 122.7003 55.8546 31.5708 175.1429 77 I 5.0834 8.9728 118.9327 59.0371 41.7003 173.5665 78 L 4.8862 8.7020 125.0967 53.3453 44.4822 175.2418 79 V 4.3949 8.8814 126.8536 62.6202 32.0736 176.1803 80 L 4.5199 9.0667 127.9371 55.8250 42.8915 175.9876 81 N 4.5506 8.3248 114.5377 53.5858 41.8222 174.4220 82 G 3.9043 8.5251 110.9753 44.4196 0.0000 174.6969 83 G 3.4307 8.4282 106.3445 48.0885 0.0000 174.0433 84 Y 4.5063 7.8373 116.5447 57.5246 38.2833 175.3962 85 R 4.2824 7.7023 117.5623 57.9675 29.6873 177.0408 86 G 4.0250 9.1204 109.6138 45.3224 0.0000 173.5367 87 N 4.7869 7.8746 116.7553 52.9700 40.2790 174.4894 88 E 4.9245 8.8064 120.7421 55.7400 32.3313 175.2280 89 G 4.4116 8.9222 107.8233 45.8321 0.0000 171.4621 90 T 5.1030 8.6461 116.7750 61.2365 71.0666 174.2237 91 L 4.1928 8.9127 129.8062 55.5304 42.6120 176.4624 92 E 4.3645 9.1711 128.2372 57.8991 30.8486 175.6222 93 S 4.7896 7.6083 111.5037 57.5229 66.2034 173.2668 94 I 5.0209 8.3266 113.2859 59.2161 40.7759 174.9066 95 N 4.7367 9.3175 122.3809 51.6370 40.0894 174.5321 96 E 3.9571 8.6965 125.7299 58.3608 30.0040 179.6762 97 K 3.6931 7.6367 119.2003 58.7965 32.2320 177.2958 98 T 4.4291 7.6927 105.8137 60.2618 69.3470 173.9606 99 F 2.8741 7.2980 119.5950 58.3027 37.1887 174.2050 100 S 4.9604 7.1502 112.5195 56.9442 67.4824 173.3568 101 A 5.1810 9.1477 120.9185 50.7487 23.1522 174.8835 102 T 5.1371 8.9467 116.4548 61.8251 71.0390 174.1076 103 I 4.8743 8.6535 118.8696 59.0511 41.8349 174.1206 104 V 4.7479 8.2821 122.8616 60.9247 33.6761 174.9660 105 I 4.1062 8.7408 129.8478 61.7305 37.7263 176.3200 106 E 4.7978 9.3232 125.3011 56.2852 30.7723 175.8865 107 T 4.5531 7.5310 108.5441 60.6176 72.3082 174.7958 108 G 3.8970 8.5195 110.9332 44.2132 0.0000 172.3542 109 P 4.3174 0.0000 0.0000 64.9260 31.5248 177.4143 110 L 4.5373 7.8323 116.8703 53.9404 41.8167 175.6730 111 K 3.9793 7.6471 120.3657 58.6083 32.1792 176.7992 112 G 3.9855 9.2855 115.3044 44.9474 0.0000 173.5316 113 R 4.0399 8.0902 121.7863 56.2350 31.2110 175.2371 114 R 4.6439 8.5510 127.2124 55.5213 31.2094 175.3390 115 V 4.2294 8.8494 127.4408 61.2312 33.4198 174.2779 116 E 4.4591 8.2666 127.5488 55.3171 30.9330 176.7125 117 G 3.7910 8.7407 109.9917 46.0650 0.0000 173.1487 118 I 3.9500 7.7223 120.5357 59.9120 38.6835 175.5437 119 Q 4.4848 8.5414 126.6277 55.9499 29.2000 176.6747 120 Y 4.4138 8.8940 120.5432 61.5958 38.0979 179.1253 121 E 3.7639 8.1744 117.1732 58.6263 29.8018 177.2046 122 D 4.7139 8.2150 117.8964 54.1278 41.4864 175.5553 123 I 5.2340 7.3929 111.7460 59.6220 41.0215 174.4565 124 S 4.7663 8.7473 116.2676 56.5096 66.4364 173.1965 125 K 4.2753 8.9483 126.7872 57.2774 32.9180 175.6818 126 L 4.7402 8.4890 127.3011 53.9682 42.6549 176.8679 127 A 4.2401 8.6721 124.3583 52.2989 17.9202 177.2922 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 8 T 8.17 4.24 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 1.20 0.00 0.00 9 A 8.34 3.93 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 10 R 7.60 4.82 0.00 1.74 1.80 0.00 3.23 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 11 T 8.39 4.45 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 0.91 0.00 0.00 12 D 8.33 4.47 0.00 2.74 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 13 Y 6.98 5.27 0.00 2.72 1.56 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 0.00 0.00 0.00 0.00 14 W 8.03 5.18 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 15 L 7.25 3.97 0.00 1.32 1.41 0.55 0.30 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 16 Q 8.22 4.63 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 17 P 0.00 4.50 0.00 2.21 2.17 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 18 E 9.19 4.18 0.00 2.23 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 0.00 2.21 2.24 0.00 19 I 7.04 4.89 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.76 0.97 0.00 0.00 20 I 8.46 4.76 1.89 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 1.24 0.60 0.98 0.00 0.00 21 V 8.85 4.78 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 0.96 0.00 0.00 1.05 0.00 0.00 22 K 9.00 4.98 0.00 1.79 1.66 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 23 I 8.80 4.52 2.22 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 1.30 0.45 1.07 0.00 0.00 24 I 8.75 4.64 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.97 0.00 0.00 25 T 8.11 4.67 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 1.23 0.00 0.00 26 K 8.23 4.47 0.00 1.80 1.77 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.14 7.81 27 K 8.10 3.98 0.00 1.67 1.84 0.00 1.64 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.37 7.81 28 L 7.96 4.55 0.00 1.73 1.77 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.11 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 0.00 0.00 0.00 0.00 30 E 8.98 4.00 0.00 2.04 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 2.34 0.00 31 K 7.98 3.61 0.00 1.36 1.00 0.00 1.51 0.00 0.00 1.10 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.90 1.27 7.81 32 Y 7.47 4.57 0.00 3.16 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 33 H 7.81 4.61 0.00 3.17 3.25 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.90 3.95 0.00 1.89 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.99 7.81 35 K 7.79 4.63 0.00 1.93 1.78 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.74 7.81 36 K 8.52 4.98 0.00 1.73 1.73 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 37 A 9.01 5.18 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 38 I 8.57 4.70 1.87 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 1.12 0.78 0.97 0.00 0.00 39 V 8.63 4.00 2.18 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 0.99 0.00 0.00 0.95 0.00 0.00 40 K 9.03 4.16 0.00 1.73 1.83 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.51 7.81 41 E 7.87 4.70 0.00 1.98 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 2.25 2.27 0.00 42 V 8.32 4.76 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 0.77 0.00 0.00 0.87 0.00 0.00 43 I 8.78 4.30 1.83 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 1.19 0.95 0.88 0.00 0.00 44 D 9.39 4.50 0.00 2.76 2.67 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 45 K 7.92 3.94 0.00 1.44 0.76 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.50 1.04 7.81 46 Y 7.49 4.38 0.00 2.85 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 47 T 7.83 5.04 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 1.24 0.00 0.00 48 A 8.96 4.99 1.11 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 49 V 8.71 4.48 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 1.00 0.00 0.00 0.90 0.00 0.00 50 V 8.80 4.92 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 0.64 0.00 0.00 0.91 0.00 0.00 51 K 8.73 4.95 0.00 1.76 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.53 7.81 52 M 8.97 4.51 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 53 I 8.67 3.72 1.89 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 0.48 0.92 0.00 0.00 54 D 8.14 4.50 0.00 2.69 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 55 S 8.10 4.28 0.00 4.14 4.06 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 56 G 8.24 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 57 D 8.09 4.57 0.00 2.71 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 58 K 8.47 4.97 0.00 1.60 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.38 7.81 59 L 8.72 4.80 0.00 1.38 1.33 0.24 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.55 5.06 0.00 1.58 1.69 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.40 7.81 61 L 8.84 4.83 0.00 1.51 1.52 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.83 4.85 0.00 2.75 2.45 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 63 Q 8.70 3.77 0.00 1.53 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 64 T 8.27 4.17 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 1.27 0.00 0.00 65 H 8.37 5.08 0.00 3.28 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.27 5.47 0.00 1.86 1.78 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.26 4.89 0.00 2.05 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 0.00 2.17 2.21 0.00 68 T 8.31 4.37 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 0.82 0.00 0.00 69 V 8.45 4.26 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 1.02 0.00 0.00 0.94 0.00 0.00 70 I 8.11 4.34 1.52 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.22 0.77 0.00 0.00 71 P 0.00 4.52 0.00 2.16 2.06 0.00 3.72 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 1.96 1.94 0.00 72 A 8.18 4.14 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 73 P 0.00 4.53 0.00 2.04 2.20 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 74 G 9.35 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 0.00 0.00 0.00 0.00 75 K 7.72 4.49 0.00 1.79 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.51 7.81 76 R 8.38 4.86 0.00 1.94 1.78 0.00 3.16 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 77 I 8.97 5.08 1.95 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 1.11 0.60 0.90 0.00 0.00 78 L 8.70 4.89 0.00 1.79 1.58 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.88 4.39 2.29 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 1.11 0.00 0.00 0.99 0.00 0.00 80 L 9.07 4.52 0.00 1.67 2.04 1.11 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.32 4.55 0.00 2.67 2.83 0.00 0.00 7.03 7.98 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 82 G 8.53 3.90 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 0.00 0.00 0.00 83 G 8.43 3.43 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 0.00 0.00 0.00 0.00 84 Y 7.84 4.51 0.00 3.03 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 85 R 7.70 4.28 0.00 1.96 1.99 0.00 3.32 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 86 G 9.12 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 87 N 7.87 4.79 0.00 2.99 2.78 0.00 0.00 6.77 7.21 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 88 E 8.81 4.92 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 89 G 8.92 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 5.10 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 1.18 0.00 0.00 91 L 8.91 4.19 0.00 1.67 1.53 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.17 4.36 0.00 1.96 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 0.00 2.24 2.23 0.00 93 S 7.61 4.79 0.00 3.89 3.90 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 94 I 8.33 5.02 2.12 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.98 0.00 0.00 95 N 9.32 4.74 0.00 2.65 2.61 0.00 0.00 7.45 7.62 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 96 E 8.70 3.96 0.00 1.97 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 0.00 2.45 2.21 0.00 97 K 7.64 3.69 0.00 1.60 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.47 7.81 98 T 7.69 4.43 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 1.17 0.00 0.00 99 F 7.30 2.87 0.00 2.97 2.80 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 0.00 100 S 7.15 4.96 0.00 3.79 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 0.00 101 A 9.15 5.18 1.37 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 0.00 0.00 0.00 102 T 8.95 5.14 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 1.24 0.00 0.00 103 I 8.65 4.87 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.92 0.89 0.00 0.00 104 V 8.28 4.75 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 1.08 0.00 0.00 0.90 0.00 0.00 105 I 8.74 4.11 2.02 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 1.00 0.00 0.00 106 E 9.32 4.80 0.00 1.90 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 2.42 2.35 0.00 107 T 7.53 4.55 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 1.22 0.00 0.00 108 G 8.52 3.90 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 0.00 0.00 0.00 109 P 0.00 4.32 0.00 2.07 2.14 0.00 3.69 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 2.04 2.11 0.00 110 L 7.83 4.54 0.00 1.82 1.77 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 K 7.65 3.98 0.00 1.85 1.77 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.36 7.81 112 G 9.29 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 0.00 113 R 8.09 4.04 0.00 2.00 1.81 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 114 R 8.55 4.64 0.00 1.84 1.80 0.00 3.22 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 115 V 8.85 4.23 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 0.78 0.00 0.00 0.28 0.00 0.00 116 E 8.27 4.46 0.00 1.88 1.83 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 2.25 2.13 0.00 117 G 8.74 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 0.00 118 I 7.72 3.95 1.84 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 1.32 1.61 0.96 0.00 0.00 119 Q 8.54 4.48 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 120 Y 8.89 4.41 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 0.00 121 E 8.17 3.76 0.00 1.81 1.71 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 2.02 2.20 0.00 122 D 8.22 4.71 0.00 2.85 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 0.00 123 I 7.39 5.23 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.93 0.00 0.00 124 S 8.75 4.77 0.00 3.94 3.74 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 0.00 125 K 8.95 4.28 0.00 1.96 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.44 7.81 126 L 8.49 4.74 0.00 1.60 1.59 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.67 4.24 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