NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5003 8.3193 115.4202 58.3393 64.3259 173.0895 1 L 4.5734 8.3303 120.0283 54.7592 42.4076 173.8703 2 I 5.1692 8.6001 121.1939 59.5668 41.2213 175.4619 3 R 4.7588 9.2746 127.9860 54.3082 34.0945 174.2598 4 I 4.9514 8.2618 121.4979 59.4945 41.3448 174.2603 5 G 4.5448 8.9433 113.5083 45.3318 0.0000 170.9442 6 H 5.5161 8.7336 119.5276 54.3356 33.4147 172.6192 7 G 4.3230 8.9876 110.4177 44.6937 0.0000 171.1334 8 F 5.5736 8.6012 122.9959 56.6220 42.7280 172.9720 9 D 4.5478 8.0644 123.6024 52.9047 45.0665 173.8768 10 V 4.6455 7.9008 121.9404 61.3059 35.2188 173.7971 11 H 4.7870 8.9490 125.9532 54.2582 32.5543 171.8512 12 A 4.4933 8.0541 127.4881 50.3389 20.1178 176.7292 13 F 4.6781 8.1558 121.5848 57.8968 39.6320 175.0993 14 G 4.5091 8.6832 108.3467 45.0197 0.0000 171.2407 15 E 5.0314 9.0846 117.4991 54.5585 33.4733 174.0788 16 D 5.7395 8.6520 119.6396 52.9281 44.3043 175.6872 17 R 4.8464 8.6450 116.5493 54.3909 33.1113 172.4543 18 P 4.8634 0.0000 0.0000 62.7435 32.6864 175.3657 19 L 4.8348 8.8094 120.9619 53.1771 46.2961 175.4319 20 I 4.7192 8.3935 123.2750 59.8948 38.7406 175.3643 21 I 4.4358 8.6739 128.6491 60.3225 40.0661 176.0741 22 G 3.7127 9.6430 114.3752 46.7497 0.0000 174.3383 23 G 3.9067 8.5578 105.3809 45.1481 0.0000 174.2443 24 V 4.3802 7.4234 119.1646 60.5312 34.1160 173.7442 25 E 4.9136 8.6558 127.3506 55.6782 30.5644 175.7110 26 V 4.7232 9.2625 120.2769 58.7756 35.7627 173.1782 27 P 4.9089 0.0000 0.0000 62.7290 32.7200 174.7153 28 Y 4.6514 9.0045 123.4668 56.1419 41.5851 173.3429 29 H 5.2848 8.3502 126.3608 54.9420 31.8946 173.7316 30 T 4.4130 9.1088 122.1727 63.0512 71.3061 174.9413 31 G 4.1169 8.8719 112.0341 43.9372 0.0000 172.2670 32 F 3.9308 8.5111 119.8790 58.5588 39.5595 174.7206 33 I 3.8023 7.1806 127.9165 60.4527 37.4555 175.6505 34 A 4.5469 8.2625 128.6417 52.2967 19.2231 176.2867 35 H 5.0352 8.2441 117.5284 55.2129 30.1138 173.2471 36 S 4.5980 7.5862 112.5406 58.0699 64.7395 175.3582 37 D 4.4018 8.6784 119.0724 54.1006 39.2380 177.3281 38 G 3.5894 8.0768 108.0847 46.5221 0.0000 174.5446 39 D 4.4361 8.4974 120.8592 53.4307 40.3166 176.7988 40 V 4.1072 8.3076 128.7809 63.7739 31.6104 178.1264 41 A 3.9099 7.8906 121.0500 55.1093 18.3172 179.4903 42 L 3.9906 7.9588 117.0643 57.9471 41.6020 179.4457 43 H 4.2255 8.0981 116.0895 58.9140 28.6556 177.6884 44 A 3.9573 7.9326 122.5264 55.0417 18.2025 179.4089 45 L 3.8871 7.9797 118.8772 58.4757 42.0848 179.3611 46 T 3.8763 8.2745 116.0338 66.8330 68.3621 176.2812 47 D 4.3569 8.2995 120.5915 57.3154 40.7682 178.7985 48 A 4.0806 8.1845 121.2558 55.2400 17.8621 179.8514 49 I 3.6430 7.8624 118.2324 64.5321 37.1479 178.6956 50 L 4.0981 8.3768 120.4319 57.6646 41.4170 179.8048 51 G 3.5761 8.8144 106.1963 47.8488 0.0000 175.6129 52 A 4.7407 8.2830 123.3439 53.7378 18.4117 178.5466 53 A 4.1218 7.3531 115.4744 50.9288 19.3439 176.7311 54 A 3.6491 7.6504 119.3754 53.7078 16.5453 178.3152 55 L 4.5957 8.3298 117.1972 55.8884 43.4171 177.6756 56 G 3.9308 9.8108 112.7772 44.8339 0.0000 176.5036 57 D 4.4544 8.5747 127.2405 52.2977 41.6645 175.5097 58 I 3.5657 9.1246 119.1301 64.3487 37.7908 178.1816 59 G 3.6750 8.2374 107.9494 47.4784 0.0000 173.9852 60 K 4.4940 8.0531 119.2046 56.2446 32.0226 177.4013 61 L 3.7996 6.8595 119.4004 54.7193 41.7588 177.0958 62 F 4.8711 7.7014 131.7754 55.9707 38.9899 173.9509 63 P 4.5495 0.0000 0.0000 63.2077 31.5487 177.4133 *71 N 4.7806 8.3645 118.3022 54.4561 40.8038 174.8077 72 A 4.2813 7.7683 119.7752 53.9212 19.7708 176.3679 73 D 4.7716 7.9440 116.3683 54.1648 41.4591 177.0214 74 S 4.3717 9.1703 124.3252 61.5964 62.7329 176.9529 75 R 4.0481 8.1815 120.8247 58.9839 29.8125 179.0754 76 G 3.6832 8.7929 106.0666 47.7532 0.0000 175.8148 77 L 4.0587 7.7149 120.1837 57.3647 41.6397 179.2727 78 L 3.9732 8.2588 120.5528 58.4213 41.9603 179.3479 79 R 4.0525 8.2260 117.9610 59.0917 29.9636 178.6401 80 E 3.9252 8.4734 119.0212 59.2436 29.6499 178.7548 81 A 3.9520 8.3055 121.1177 55.1267 18.3804 179.4081 82 F 4.1465 8.4540 119.1929 61.4426 39.4414 177.4081 83 R 3.6953 8.3689 118.0378 59.5553 29.3819 179.1109 84 Q 4.0022 8.0507 117.5956 58.8523 28.6587 178.9640 85 V 3.7248 7.6676 119.2124 65.4907 31.1573 178.3271 86 Q 3.9943 7.6545 119.6664 58.4457 28.3650 177.9559 87 E 3.8910 8.1200 118.5818 59.5506 29.6087 179.1002 88 K 4.2743 7.5759 114.8922 56.8564 32.5113 177.7250 89 G 3.7736 9.2610 109.4376 45.3307 0.0000 172.4171 90 Y 5.3397 7.9681 116.6513 55.8229 41.4498 174.6527 91 K 4.9139 8.8477 119.5580 55.1764 37.0655 175.0676 92 I 4.2090 8.6118 121.2922 61.5150 37.2517 176.4194 93 G 3.9453 9.1655 116.1933 47.1472 0.0000 173.2080 94 N 4.8774 7.4464 116.0014 51.6831 40.3385 172.9811 95 V 4.9598 8.5766 112.7634 59.7842 36.6695 174.1976 96 D 5.1275 8.9515 122.0285 52.7689 44.4576 174.0439 97 I 4.9053 9.0129 126.9674 59.8889 40.4768 174.9444 98 T 4.8902 8.9186 123.1301 61.6253 71.0826 172.7887 99 I 4.2498 9.0268 128.7832 60.9758 38.7659 175.3333 100 I 4.9634 8.8173 128.2688 59.9400 38.8412 174.4472 101 A 4.8110 8.7737 128.0322 49.9368 22.9332 175.8873 102 Q 4.3749 8.2702 121.6912 55.3080 28.2217 174.9894 103 A 4.9858 7.2924 120.5156 49.6591 24.3964 175.3543 104 P 4.6299 0.0000 0.0000 63.3241 29.8326 180.8459 105 K 3.9864 9.0153 114.4716 54.4893 32.4518 177.8503 *107 R 4.4416 8.5253 122.5561 55.2364 31.6759 175.7792 108 P 4.2924 0.0000 0.0000 64.8627 31.1018 176.4771 109 H 4.7877 7.9472 113.3751 55.6336 30.0902 176.4544 110 I 3.7460 7.4720 120.6742 64.6420 37.1819 177.3174 111 D 4.4227 8.1665 119.1075 57.3240 41.1455 178.9666 112 A 4.3284 7.6730 118.8253 52.8152 17.8403 179.2993 *114 R 4.2110 8.1690 119.9622 57.7972 32.3053 178.0000 115 A 3.9673 8.2774 119.6060 55.2237 18.2645 179.8924 116 K 3.9054 7.8954 116.4839 59.6333 32.0505 179.7389 117 I 3.6452 7.7046 119.4068 64.2100 37.0712 178.1304 118 A 3.8885 8.3003 122.0348 55.0205 17.8878 179.1918 119 E 3.7997 8.3318 117.9671 59.7525 29.5144 178.9458 120 D 4.3602 8.0977 117.5302 56.5442 40.9081 177.6938 121 L 3.4485 7.6537 117.0532 52.8558 42.3938 176.3670 122 Q 3.2392 7.3179 116.9641 57.0692 26.8337 172.0623 123 C 4.8380 7.6071 110.5156 56.3766 33.3289 172.7526 124 D 4.6067 8.9690 118.7879 53.3681 41.7734 177.2756 125 I 3.6287 8.2730 124.6159 63.7662 38.0946 177.0236 126 E 4.1675 8.6576 119.7020 57.7838 29.6891 176.7630 127 Q 4.4164 8.3330 117.1290 56.1436 29.2449 174.5401 128 V 4.7450 7.4323 118.4932 60.9490 33.7795 174.2445 129 N 5.1189 8.9361 126.0648 51.7604 42.1281 173.0497 130 V 5.0586 8.3781 124.4892 61.0880 34.8214 174.3129 131 K 4.8694 9.2003 125.1960 55.3579 36.6107 174.7291 132 A 5.2139 8.4636 121.5861 50.6585 22.0843 175.1151 133 T 4.8207 9.3890 115.9799 60.6852 71.8125 172.2384 134 T 5.0786 8.7031 113.8071 58.9614 72.0983 173.7378 135 T 4.3267 8.2722 108.9944 60.6733 69.4194 174.4967 136 E 3.5736 8.6120 118.6508 58.1532 27.2343 175.4285 137 K 4.1631 8.6187 112.3187 56.7690 31.0322 176.4307 138 L 4.5204 7.5854 119.4848 53.8891 43.6967 177.7125 139 G 4.2020 8.4958 110.8944 44.7392 0.0000 174.2970 140 F 4.3708 8.3881 113.2651 60.1216 37.4717 177.5225 141 T 4.5184 6.5200 111.4767 63.9867 68.7148 176.9076 142 G 3.5962 7.8244 108.2514 47.2884 0.0000 175.0060 143 R 4.3967 8.1819 117.6086 55.4088 30.5760 176.2363 144 Q 3.8162 7.9949 116.8739 57.2612 26.8476 174.4456 145 E 4.3596 8.7937 118.2978 57.2516 30.3500 176.7154 146 G 2.9284 6.8007 105.9295 44.9117 0.0000 171.3238 147 I 4.8575 7.3092 111.3368 59.0505 41.3876 174.1405 148 A 5.1896 8.5928 123.6498 50.9648 23.5080 174.2112 149 C 5.0259 8.1792 116.3175 58.6185 35.5168 172.2766 150 E 5.4547 9.0588 125.8877 54.5881 32.7006 174.3567 151 A 5.2210 9.1785 126.2837 50.6186 23.3746 175.4035 152 V 5.0207 8.6914 112.6816 59.5742 35.9368 174.7912 153 A 5.1422 9.1162 124.7798 50.1357 23.0090 174.5740 154 L 5.0182 8.8506 123.1996 53.2985 44.7274 175.1614 155 L 5.1571 9.1378 126.5534 53.1958 44.5553 175.5391 156 I 5.1161 8.3791 122.4145 59.2137 40.8287 174.9901 157 R 4.1580 9.3254 127.7183 56.3182 30.6026 176.1722 158 Q 4.2277 8.7271 127.2168 56.4035 28.6920 175.3764 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 0 S 8.32 4.50 0.00 4.06 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 1 L 8.33 4.57 0.00 1.86 1.92 0.95 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.60 5.17 1.92 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 1.12 0.94 0.00 0.00 3 R 9.27 4.76 0.00 1.33 1.67 0.00 3.34 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.32 0.00 4 I 8.26 4.95 1.86 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 1.28 1.48 0.90 0.00 0.00 5 G 8.94 4.54 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 0.00 0.00 0.00 6 H 8.73 5.52 0.00 3.13 3.12 0.00 5.68 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.99 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.60 5.57 0.00 2.97 2.93 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 9 D 8.06 4.55 0.00 2.70 2.39 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 10 V 7.90 4.65 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 0.60 0.00 0.00 0.70 0.00 0.00 11 H 8.95 4.79 0.00 3.19 3.02 0.00 5.82 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 12 A 8.05 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.16 4.68 0.00 3.01 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 14 G 8.68 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 15 E 9.08 5.03 0.00 1.99 2.02 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 2.20 2.43 0.00 16 D 8.65 5.74 0.00 2.58 2.64 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 0.00 0.00 0.00 0.00 17 R 8.64 4.85 0.00 1.89 2.04 0.00 2.82 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 18 P 0.00 4.86 0.00 2.11 2.10 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 19 L 8.81 4.83 0.00 1.73 1.52 0.70 0.42 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 20 I 8.39 4.72 1.86 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 1.34 0.54 0.91 0.00 0.00 21 I 8.67 4.44 1.89 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 1.23 1.06 0.92 0.00 0.00 22 G 9.64 3.71 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 0.00 0.00 0.00 23 G 8.56 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 0.00 0.00 0.00 24 V 7.42 4.38 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 0.94 0.00 0.00 0.93 0.00 0.00 25 E 8.66 4.91 0.00 2.03 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 2.28 2.48 0.00 26 V 9.26 4.72 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 0.87 0.00 0.00 1.04 0.00 0.00 27 P 0.00 4.91 0.00 2.10 2.07 0.00 3.73 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 1.99 1.97 0.00 28 Y 9.00 4.65 0.00 3.02 2.91 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 29 H 8.35 5.28 0.00 3.06 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.11 4.41 4.27 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 1.31 0.00 0.00 31 G 8.87 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 32 F 8.51 3.93 0.00 2.96 2.97 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 33 I 7.18 3.80 1.43 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 1.18 0.43 0.64 0.00 0.00 34 A 8.26 4.55 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.24 5.04 0.00 3.17 3.26 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.59 4.60 0.00 4.14 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 37 D 8.68 4.40 0.00 2.82 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 38 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.50 4.44 0.00 2.73 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.11 2.02 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 1.06 0.00 0.00 0.82 0.00 0.00 41 A 7.89 3.91 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 42 L 7.96 3.99 0.00 1.67 1.71 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.10 4.23 0.00 3.25 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.93 3.96 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 45 L 7.98 3.89 0.00 1.88 1.87 0.92 0.83 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 46 T 8.27 3.88 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 1.21 0.00 0.00 47 D 8.30 4.36 0.00 2.84 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 48 A 8.18 4.08 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.86 3.64 1.90 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 1.55 1.16 0.97 0.00 0.00 50 L 8.38 4.10 0.00 1.82 1.69 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.74 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 53 A 7.35 4.12 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 54 A 7.65 3.65 1.36 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 0.00 0.00 0.00 55 L 8.33 4.60 0.00 1.71 1.65 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.81 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 0.00 0.00 0.00 57 D 8.57 4.45 0.00 3.08 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 58 I 9.12 3.57 1.96 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 1.17 1.16 0.88 0.00 0.00 59 G 8.24 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 60 K 8.05 4.49 0.00 1.69 1.79 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.53 7.81 61 L 6.86 3.80 0.00 1.43 0.76 0.74 0.52 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 62 F 7.70 4.87 0.00 3.08 2.94 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 63 P 0.00 4.55 0.00 2.21 2.16 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 *71 N 8.36 4.78 0.00 2.62 2.90 0.00 0.00 7.12 7.96 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 72 A 7.77 4.28 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 73 D 7.94 4.77 0.00 2.71 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 74 S 9.17 4.37 0.00 3.90 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 75 R 8.18 4.05 0.00 2.07 1.99 0.00 3.13 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 76 G 8.79 3.68 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 0.00 0.00 0.00 77 L 7.71 4.06 0.00 1.97 1.75 1.01 0.67 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 78 L 8.26 3.97 0.00 1.84 1.87 0.94 1.17 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 79 R 8.23 4.05 0.00 2.12 2.06 0.00 3.24 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 80 E 8.47 3.93 0.00 2.23 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 1.77 2.17 0.00 81 A 8.31 3.95 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.45 4.15 0.00 3.08 3.24 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 83 R 8.37 3.70 0.00 2.04 1.95 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 84 Q 8.05 4.00 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 85 V 7.67 3.72 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 1.06 0.00 0.00 0.94 0.00 0.00 86 Q 7.65 3.99 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 1.99 1.16 0.00 87 E 8.12 3.89 0.00 2.03 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 2.45 2.48 0.00 88 K 7.58 4.27 0.00 2.05 1.96 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.42 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.47 7.81 89 G 9.26 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 0.00 0.00 0.00 90 Y 7.97 5.34 0.00 3.11 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 91 K 8.85 4.91 0.00 1.96 2.23 0.00 1.37 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.49 7.81 92 I 8.61 4.21 1.89 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 1.28 0.47 0.95 0.00 0.00 93 G 9.17 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 94 N 7.45 4.88 0.00 2.85 2.87 0.00 0.00 5.82 7.68 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 95 V 8.58 4.96 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 0.71 0.00 0.00 0.92 0.00 0.00 96 D 8.95 5.13 0.00 2.72 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 97 I 9.01 4.91 1.97 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 1.22 0.43 0.90 0.00 0.00 98 T 8.92 4.89 4.27 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 1.23 0.00 0.00 99 I 9.03 4.25 1.88 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 1.22 0.54 0.92 0.00 0.00 100 I 8.82 4.96 1.87 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 1.18 1.00 0.87 0.00 0.00 101 A 8.77 4.81 1.24 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 0.00 102 Q 8.27 4.37 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 103 A 7.29 4.99 1.24 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 0.00 104 P 0.00 4.63 0.00 2.20 1.46 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 105 K 9.02 3.99 0.00 1.80 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *107 R 8.53 4.44 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 108 P 0.00 4.29 0.00 1.86 2.01 0.00 3.70 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 1.99 2.07 0.00 109 H 7.95 4.79 0.00 3.17 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.47 3.75 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 1.32 0.74 0.95 0.00 0.00 111 D 8.17 4.42 0.00 2.73 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 0.00 112 A 7.67 4.33 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 *114 R 8.17 4.21 0.00 2.06 2.02 0.00 3.13 0.00 0.00 3.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 115 A 8.28 3.97 1.36 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 0.00 0.00 0.00 116 K 7.90 3.91 0.00 1.84 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 117 I 7.70 3.65 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.56 0.87 0.00 0.00 118 A 8.30 3.89 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 0.00 119 E 8.33 3.80 0.00 2.19 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 2.29 2.49 0.00 120 D 8.10 4.36 0.00 2.63 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 0.00 121 L 7.65 3.45 0.00 1.36 1.28 0.87 0.81 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 0.00 122 Q 7.32 3.24 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 123 C 7.61 4.84 0.00 3.29 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 0.00 124 D 8.97 4.61 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 0.00 125 I 8.27 3.63 1.86 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 1.29 1.17 0.90 0.00 0.00 126 E 8.66 4.17 0.00 2.03 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 2.32 2.42 0.00 127 Q 8.33 4.42 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 128 V 7.43 4.74 2.19 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 0.73 0.00 0.00 0.90 0.00 0.00 129 N 8.94 5.12 0.00 2.86 2.74 0.00 0.00 6.16 7.75 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 0.00 130 V 8.38 5.06 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 0.90 0.00 0.00 0.92 0.00 0.00 131 K 9.20 4.87 0.00 1.80 1.83 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.39 7.81 132 A 8.46 5.21 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 0.00 133 T 9.39 4.82 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 0.00 134 T 8.70 5.08 4.40 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 0.00 0.00 0.00 1.26 0.00 0.00 135 T 8.27 4.33 4.21 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 1.11 0.00 0.00 136 E 8.61 3.57 0.00 2.12 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 2.25 2.25 0.00 137 K 8.62 4.16 0.00 1.89 1.95 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.41 7.81 138 L 7.59 4.52 0.00 1.77 1.52 0.90 0.96 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 0.00 139 G 8.50 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 0.00 0.00 0.00 140 F 8.39 4.37 0.00 3.33 3.32 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 0.00 0.00 0.00 0.00 141 T 6.52 4.52 4.15 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 0.86 0.00 0.00 142 G 7.82 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 0.00 143 R 8.18 4.40 0.00 1.85 2.04 0.00 3.36 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 144 Q 7.99 3.82 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 145 E 8.79 4.36 0.00 2.21 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 2.34 0.00 146 G 6.80 2.93 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 0.00 0.00 0.00 147 I 7.31 4.86 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.76 1.05 0.00 0.00 148 A 8.59 5.19 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 0.00 149 C 8.18 5.03 0.00 2.94 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 0.00 150 E 9.06 5.45 0.00 2.24 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 2.29 2.53 0.00 151 A 9.18 5.22 1.17 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 0.00 0.00 152 V 8.69 5.02 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 0.83 0.00 0.00 0.94 0.00 0.00 153 A 9.12 5.14 1.17 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 0.00 0.00 154 L 8.85 5.02 0.00 1.75 1.51 0.96 0.49 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 0.00 155 L 9.14 5.16 0.00 1.29 1.43 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.38 5.12 1.95 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 1.17 1.04 0.96 0.00 0.00 157 R 9.33 4.16 0.00 1.80 1.81 0.00 2.85 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 158 Q 8.73 4.23 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.