NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4051 8.4345 117.1014 57.0470 63.9625 176.2834 3 E 4.8872 8.3378 121.7024 57.3045 34.9812 175.2604 4 K 4.8265 8.8001 115.3851 56.6344 34.9131 175.5313 5 Y 4.3430 8.9856 127.1292 56.6098 39.6699 174.2320 6 I 4.1255 7.7995 128.5045 60.6104 38.2641 175.6431 7 V 4.2303 7.9016 127.2603 61.2197 33.2807 175.2812 8 T 4.2110 8.2103 118.2676 60.3563 70.9482 175.9203 9 W 4.3544 8.8096 121.8211 60.1599 29.0715 178.3610 10 D 4.4602 8.3055 118.1518 57.8476 40.3706 178.7654 11 M 3.9924 7.7477 118.2446 58.2319 31.9559 178.5148 12 L 4.0405 8.1293 120.5882 58.3184 42.2514 178.8890 13 Q 4.0564 8.3278 119.4833 59.0898 29.0570 178.2412 14 I 3.7018 7.6168 120.8840 64.7441 37.2075 178.1586 15 H 4.2488 8.1379 116.8072 58.7258 28.4128 177.7253 16 A 3.9973 8.1830 122.6746 55.2952 18.2853 179.9668 17 R 3.8776 8.1140 116.6225 59.1280 29.8846 179.1895 18 K 3.9842 7.7514 118.4332 59.1240 32.4561 178.4734 19 L 4.0257 7.9108 120.5658 57.9598 42.1531 178.5454 20 A 4.0185 8.1904 121.1808 55.3395 18.0702 179.7412 21 S 4.1944 7.8678 111.1273 61.1635 63.1008 176.3469 22 R 4.2441 7.8100 120.8144 57.8942 30.0278 176.9843 23 L 4.7019 7.3754 116.6576 55.0471 41.6802 176.6082 24 M 4.4488 7.7369 118.5886 53.8933 32.8841 174.4894 25 P 4.5322 0.0000 0.0000 62.4535 32.4171 176.8032 26 S 4.5992 8.4571 113.7539 60.5667 63.6399 176.3868 27 E 4.0038 8.1140 119.9812 58.9241 29.2454 177.7310 28 Q 3.8545 7.6526 114.7737 56.7346 28.9945 175.6218 29 W 5.1503 7.5548 121.9466 55.7479 30.9847 176.6752 30 K 4.0325 8.9291 127.0086 57.4181 32.3902 174.2508 31 G 3.7103 6.2430 104.1577 46.1635 0.0000 171.9556 32 I 5.0993 8.2063 119.6655 59.4488 41.0914 175.2781 33 I 4.8677 9.2860 127.6889 59.5696 39.3041 174.3817 34 A 4.8180 8.9428 130.8151 50.8312 20.4827 176.2406 35 V 4.1379 8.7182 123.9615 62.2929 32.6411 175.2076 36 S 4.5685 8.6326 124.3446 58.4271 62.5006 174.0379 37 R 4.4486 8.7208 124.1895 55.9293 31.8229 178.1510 38 G 3.8071 7.7003 106.4925 47.9509 0.0000 174.7499 39 G 3.8984 8.6199 107.5122 45.7253 0.0000 175.5020 40 L 3.8624 7.6283 121.6417 57.7551 41.6325 179.5505 41 V 3.6186 7.3495 117.4870 65.6851 31.6608 176.1727 42 P 4.4649 0.0000 0.0000 65.4914 31.1978 178.8766 43 G 3.5930 8.4094 104.6275 47.5937 0.0000 175.7137 44 A 4.0620 7.9979 123.1275 54.9223 18.3722 179.7742 45 L 4.0165 7.9988 117.6712 57.8562 41.6857 179.6874 46 L 3.9853 8.0533 118.8980 57.6257 41.5304 179.3128 47 A 4.0540 8.0286 120.8716 54.9886 17.8605 179.7779 48 R 3.8257 7.8393 116.9069 59.6992 30.0405 178.6420 49 E 3.8266 8.1384 117.1504 58.9988 29.5591 178.6239 50 L 4.4118 8.3850 117.6510 54.4146 42.1139 177.2438 51 G 3.7789 7.4975 106.2942 46.4119 0.0000 173.3231 52 I 4.2434 7.6000 121.0986 59.8130 37.6177 176.3856 53 R 4.1391 8.5197 124.2476 57.1185 30.8574 175.9768 54 H 4.6284 7.9763 118.7821 54.9378 30.4988 173.6791 55 V 4.8988 8.2289 125.4188 61.1788 34.0547 173.8367 56 D 5.2183 9.5617 127.4384 52.5883 44.8261 174.0860 57 T 5.3103 8.3180 109.4892 59.7312 72.5080 173.9337 58 V 4.5213 8.4695 121.2179 60.4915 34.4798 173.9217 59 C 4.9943 9.0467 124.2658 58.0497 30.0710 173.1548 60 I 5.1094 8.3536 123.7262 59.5428 40.3687 174.6641 61 S 4.8714 9.3883 123.4560 57.2921 65.5837 173.7510 62 S 5.0106 8.5382 124.7843 57.4631 64.8540 174.2509 *63 Y 5.0303 7.7015 122.2506 58.7468 40.9142 174.3841 *69 R 4.8802 8.0627 122.5743 58.2788 31.0035 177.8061 70 E 4.8234 8.6701 121.5841 54.9942 33.2167 175.4607 71 L 4.8809 8.3402 123.2000 54.2763 43.0066 176.5956 72 K 4.4765 8.8013 121.4534 56.4345 35.6386 176.2353 73 V 4.4924 8.4708 127.2453 60.4666 31.2237 172.4328 74 L 4.2132 8.6047 128.4535 56.7675 42.2693 178.0808 75 K 4.6615 7.6505 117.2069 55.3082 35.5333 174.5621 76 R 5.0583 8.4568 121.8040 54.1826 32.3721 174.7447 77 A 4.4060 9.2805 126.8764 52.4471 19.1943 177.9635 78 E 4.0116 8.5929 116.2337 56.7709 30.5833 178.1745 79 G 3.9546 8.7604 108.0016 44.8138 0.0000 172.7789 80 D 4.5805 8.5765 115.5202 52.9661 39.9108 177.6777 81 G 3.9127 8.3783 110.2412 46.7743 0.0000 173.6305 82 E 4.5042 8.4680 116.3259 57.3426 29.7724 181.1601 83 G 4.1596 9.4123 112.9656 44.4043 0.0000 172.1650 84 F 5.1606 8.5190 118.4089 55.9445 42.1618 174.6758 85 I 4.5606 8.1546 121.1008 59.5845 39.6124 174.8253 86 V 4.6601 8.4589 127.7998 61.3352 33.2114 174.2896 87 I 5.6082 8.6273 127.7821 58.3073 41.2837 173.5091 88 D 5.2815 8.3648 126.7987 52.2367 44.7791 175.6847 89 D 4.7321 8.9231 122.5563 56.4641 40.6871 175.4543 90 L 5.3360 7.8621 116.5945 55.5327 43.8580 175.2030 91 V 3.8842 8.0185 117.6412 60.7986 33.4554 174.3131 92 D 4.6524 9.1435 127.5972 54.3439 40.5087 177.4038 93 T 4.1798 8.1219 112.6805 61.5229 70.8608 176.1428 94 G 3.9721 8.4037 110.2532 45.6403 0.0000 175.2246 95 G 3.6221 8.2374 107.2969 48.0487 0.0000 176.2914 96 T 3.9427 7.8925 111.8767 63.3857 69.1039 176.4578 97 A 3.8322 7.8505 123.9595 55.0409 18.3705 179.5014 98 V 3.4961 7.9001 116.6360 66.0285 31.4421 178.1760 99 A 3.9582 7.5034 120.5237 55.0818 18.1135 179.7413 100 I 3.6175 7.4147 117.9475 64.4032 36.6908 178.7032 101 R 3.8948 7.9015 121.4031 60.0278 29.6817 179.6076 102 E 4.0147 7.6273 116.6798 61.2029 29.7365 180.7041 103 M 4.1695 7.4228 118.7069 57.0610 33.3461 176.8657 104 Y 4.7811 7.6674 117.3797 55.3397 38.0935 174.4059 105 P 4.4239 0.0000 0.0000 65.0808 32.0031 178.0542 106 K 4.3940 7.8795 113.6631 56.6359 31.8027 176.5792 107 A 4.8756 7.5121 120.8920 51.2439 20.7934 177.8015 108 H 4.8441 8.9177 120.9736 54.9964 30.7058 173.7248 109 F 5.2081 9.2355 129.7417 57.9465 40.4143 174.6944 110 V 4.8927 8.6494 119.0812 59.9155 36.4030 174.4227 111 T 5.4259 8.1429 111.6751 60.0093 72.5705 174.8809 112 I 3.6683 8.4422 121.5637 63.7839 38.2061 176.2483 113 F 5.4027 8.0240 119.6862 56.0790 42.2220 174.6920 114 A 4.7837 8.5247 121.4788 50.9518 22.7011 175.9158 115 K 4.9659 8.6121 122.0586 53.5862 34.2733 176.1089 116 P 4.0799 0.0000 0.0000 65.9213 31.4183 177.8502 117 A 4.0663 8.5443 119.6563 54.6141 18.0518 178.4390 118 G 3.9489 7.7717 102.6563 45.3616 0.0000 175.4743 119 R 3.6389 7.8093 120.5685 58.7422 29.8979 176.0323 120 P 4.3837 0.0000 0.0000 65.8837 31.5642 178.3199 121 L 4.4822 7.6433 114.9582 54.6819 40.7102 179.8773 122 V 4.8577 7.2109 116.7741 60.8061 34.0601 175.6883 123 D 4.6154 8.7386 122.0470 57.5439 41.4563 176.3503 124 D 4.7551 7.7609 114.9678 53.6458 44.6191 173.9763 125 Y 5.7019 7.9942 121.3581 56.4624 41.0644 173.7327 126 V 3.9676 8.5476 116.3636 63.9617 33.6558 175.4928 127 V 4.4332 7.7953 120.4017 61.0582 33.7640 173.8757 128 D 5.2300 8.7909 127.6866 53.7959 42.0200 175.8268 129 I 4.4694 8.2253 123.5363 58.4880 41.2174 173.8347 130 P 4.5216 0.0000 0.0000 62.3005 31.9953 177.2555 131 Q 3.9405 8.6828 122.2628 59.0852 28.9867 177.0905 132 D 4.6574 7.9201 114.0092 53.8878 40.2109 175.8347 133 T 4.4022 7.3809 117.7321 62.6263 69.5506 174.1185 134 W 4.4528 8.5233 135.0000 56.7542 32.2099 174.9137 135 I 4.2533 7.2823 128.3083 60.1570 37.8232 175.0938 136 E 4.2148 8.8101 130.3307 54.6102 30.3406 175.5786 137 Q 3.6772 7.8841 126.5101 54.3867 29.7363 175.7095 138 P 3.6163 0.0000 0.0000 65.1521 31.1642 178.5266 139 W 4.5517 6.7003 112.7262 58.2475 28.2246 176.0959 140 D 4.8003 7.5848 117.8959 54.4630 40.9551 175.2183 141 M 4.7902 7.0532 118.6296 53.6287 35.1472 174.6202 142 G 3.9762 7.8214 105.1876 45.2953 0.0000 173.7523 143 V 3.8996 8.4889 121.1849 62.0153 31.0552 175.6097 144 V 4.6265 7.8766 119.3684 58.7337 35.5084 175.4044 145 F 4.1084 8.8035 123.3836 58.4565 39.5761 174.5393 146 V 4.0406 7.1038 126.6780 59.7538 33.1633 173.2148 147 P 4.1409 0.0000 0.0000 61.9336 30.4565 174.4892 148 P 4.3542 0.0000 0.0000 62.6626 31.8555 177.3996 149 I 3.9182 8.3627 121.0326 63.5637 37.2921 176.3717 150 S 4.7424 7.4665 113.8874 56.1133 64.5814 173.8747 151 G 3.7644 8.6079 114.4489 45.7111 0.0000 172.9301 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 2 S 8.43 4.41 0.00 3.65 3.29 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 3 E 8.34 4.89 0.00 1.75 1.88 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 2.06 1.98 0.00 4 K 8.80 4.83 0.00 1.64 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.63 1.50 7.81 5 Y 8.99 4.34 0.00 2.95 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 6 I 7.80 4.13 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.83 0.75 0.00 0.00 7 V 7.90 4.23 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 0.91 0.00 0.00 0.74 0.00 0.00 8 T 8.21 4.21 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 1.14 0.00 0.00 9 W 8.81 4.35 0.00 3.42 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 10 D 8.31 4.46 0.00 2.73 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 11 M 7.75 3.99 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.13 4.04 0.00 1.86 1.96 1.08 0.86 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 13 Q 8.33 4.06 0.00 2.39 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.62 3.70 1.92 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 1.51 0.95 0.88 0.00 0.00 15 H 8.14 4.25 0.00 3.20 3.14 0.00 5.62 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 16 A 8.18 4.00 1.42 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 0.00 0.00 17 R 8.11 3.88 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 18 K 7.75 3.98 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 19 L 7.91 4.03 0.00 1.90 1.74 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.19 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.87 4.19 0.00 4.08 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 22 R 7.81 4.24 0.00 1.99 2.04 0.00 3.18 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 23 L 7.38 4.70 0.00 1.86 1.90 0.74 0.89 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 24 M 7.74 4.45 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 25 P 0.00 4.53 0.00 1.94 2.05 0.00 3.56 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 1.96 2.03 0.00 26 S 8.46 4.60 0.00 4.15 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 0.00 27 E 8.11 4.00 0.00 1.87 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 2.28 2.33 0.00 28 Q 7.65 3.85 0.00 1.47 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 29 W 7.55 5.15 0.00 3.33 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 30 K 8.93 4.03 0.00 1.49 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.26 7.81 31 G 6.24 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 32 I 8.21 5.10 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.60 0.92 0.00 0.00 33 I 9.29 4.87 1.62 0.00 0.00 -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 0.96 1.00 0.55 0.00 0.00 34 A 8.94 4.82 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 35 V 8.72 4.14 2.30 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 0.87 0.00 0.00 1.09 0.00 0.00 36 S 8.63 4.57 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 37 R 8.72 4.45 0.00 1.77 1.71 0.00 3.13 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 7.70 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 39 G 8.62 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 40 L 7.63 3.86 0.00 1.52 1.62 0.82 0.70 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 41 V 7.35 3.62 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 1.54 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.46 0.00 2.23 2.13 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 43 G 8.41 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 44 A 8.00 4.06 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 45 L 8.00 4.02 0.00 1.92 1.76 1.05 0.68 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 46 L 8.05 3.99 0.00 1.80 1.64 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.03 4.05 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 48 R 7.84 3.83 0.00 1.95 2.09 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 8.14 3.83 0.00 1.99 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 2.57 2.50 0.00 50 L 8.39 4.41 0.00 1.68 1.78 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.50 3.78 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 0.00 0.00 0.00 52 I 7.60 4.24 1.86 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 1.33 0.66 0.93 0.00 0.00 53 R 8.52 4.14 0.00 1.81 1.98 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 H 7.98 4.63 0.00 3.25 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.23 4.90 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 0.89 0.00 0.00 0.94 0.00 0.00 56 D 9.56 5.22 0.00 2.78 2.49 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 57 T 8.32 5.31 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 1.20 0.00 0.00 58 V 8.47 4.52 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 0.82 0.00 0.00 1.15 0.00 0.00 59 C 9.05 4.99 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 60 I 8.35 5.11 1.89 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 1.23 0.62 0.98 0.00 0.00 61 S 9.39 4.87 0.00 3.84 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 62 S 8.54 5.01 0.00 3.43 3.62 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 0.00 0.00 0.00 0.00 *63 Y 7.70 5.03 0.00 2.30 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 0.00 0.00 0.00 *69 R 8.06 4.88 0.00 1.62 1.79 0.00 3.09 0.00 0.00 4.01 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.00 70 E 8.67 4.82 0.00 1.62 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 2.21 1.84 0.00 71 L 8.34 4.88 0.00 1.42 1.48 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.80 4.48 0.00 1.78 1.78 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 73 V 8.47 4.49 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 0.80 0.00 0.00 0.93 0.00 0.00 74 L 8.60 4.21 0.00 1.55 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.65 4.66 0.00 1.76 1.59 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.36 7.81 76 R 8.46 5.06 0.00 1.81 1.83 0.00 3.11 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 77 A 9.28 4.41 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 78 E 8.59 4.01 0.00 2.00 1.75 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 2.23 1.87 0.00 79 G 8.76 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 80 D 8.58 4.58 0.00 2.95 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 81 G 8.38 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 82 E 8.47 4.50 0.00 2.02 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 2.26 2.13 0.00 83 G 9.41 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 0.00 0.00 0.00 84 F 8.52 5.16 0.00 3.11 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 85 I 8.15 4.56 1.52 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.61 0.00 0.00 86 V 8.46 4.66 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 1.11 0.00 0.00 nan 0.00 0.00 87 I 8.63 5.61 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.34 0.88 0.00 0.00 88 D 8.36 5.28 0.00 3.01 2.51 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 89 D 8.92 4.73 0.00 3.12 3.42 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 90 L 7.86 5.34 0.00 1.65 1.83 0.87 0.45 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 91 V 8.02 3.88 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 0.69 0.00 0.00 1.02 0.00 0.00 92 D 9.14 4.65 0.00 2.72 2.54 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 93 T 8.12 4.18 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 94 G 8.40 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 95 G 8.24 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.89 3.94 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 1.24 0.00 0.00 97 A 7.85 3.83 1.54 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 98 V 7.90 3.50 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 0.98 0.00 0.00 1.02 0.00 0.00 99 A 7.50 3.96 1.30 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 0.00 100 I 7.41 3.62 1.45 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 1.70 0.76 0.69 0.00 0.00 101 R 7.90 3.89 0.00 1.95 1.94 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 102 E 7.63 4.01 0.00 2.02 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 2.26 2.22 0.00 103 M 7.42 4.17 0.00 0.87 1.72 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 2.29 0.00 104 Y 7.67 4.78 0.00 2.92 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 0.00 105 P 0.00 4.42 0.00 2.06 2.12 0.00 3.88 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.31 0.00 106 K 7.88 4.39 0.00 1.84 1.92 0.00 2.02 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.43 7.81 107 A 7.51 4.88 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.92 4.84 0.00 3.59 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.24 5.21 0.00 3.13 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 0.00 110 V 8.65 4.89 1.93 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 0.55 0.00 0.00 0.83 0.00 0.00 111 T 8.14 5.43 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 0.88 0.00 0.00 112 I 8.44 3.67 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.16 0.00 0.00 113 F 8.02 5.40 0.00 2.90 2.79 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 0.00 114 A 8.52 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.61 4.97 0.00 1.83 1.65 0.00 1.95 0.00 0.00 1.78 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.14 7.81 116 P 0.00 4.08 0.00 2.13 2.13 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 117 A 8.54 4.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.77 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 0.00 119 R 7.81 3.64 0.00 1.77 1.88 0.00 3.38 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.99 0.00 120 P 0.00 4.38 0.00 2.23 2.09 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 121 L 7.64 4.48 0.00 1.68 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.21 4.86 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 0.91 0.00 0.00 0.63 0.00 0.00 123 D 8.74 4.62 0.00 2.65 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 0.00 124 D 7.76 4.76 0.00 2.77 2.40 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 0.00 125 Y 7.99 5.70 0.00 2.88 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 0.00 126 V 8.55 3.97 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 0.68 0.00 0.00 0.85 0.00 0.00 127 V 7.80 4.43 1.98 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 0.96 0.00 0.00 0.59 0.00 0.00 128 D 8.79 5.23 0.00 2.66 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 0.00 129 I 8.23 4.47 1.69 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.97 0.63 0.00 0.00 130 P 0.00 4.52 0.00 2.14 1.94 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 131 Q 8.68 3.94 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 7.92 4.66 0.00 2.84 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 0.00 133 T 7.38 4.40 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 1.24 0.00 0.00 134 W 8.52 4.45 0.00 3.52 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 0.00 135 I 7.28 4.25 1.24 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.28 0.12 0.00 0.00 136 E 8.81 4.21 0.00 2.10 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 2.21 0.00 137 Q 7.88 3.68 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.62 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 138 P 0.00 3.62 0.00 0.49 0.51 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 139 W 6.70 4.55 0.00 3.44 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.58 4.80 0.00 2.73 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 0.00 141 M 7.05 4.79 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 142 G 7.82 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 0.00 143 V 8.49 3.90 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 0.87 0.00 0.00 0.99 0.00 0.00 144 V 7.88 4.63 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 0.82 0.00 0.00 0.97 0.00 0.00 145 F 8.80 4.11 0.00 2.98 2.99 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 0.00 146 V 7.10 4.04 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 0.79 0.00 0.00 0.87 0.00 0.00 147 P 0.00 4.14 0.00 2.24 2.20 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 148 P 0.00 4.35 0.00 2.36 2.20 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 149 I 8.36 3.92 1.85 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 1.27 0.50 0.90 0.00 0.00 150 S 7.47 4.74 0.00 3.92 3.69 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 0.00 151 G 8.61 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.