NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4968 8.4029 118.6738 56.3474 32.3523 174.5863 4 K 4.9635 8.5454 122.2294 53.4566 35.3378 174.7580 5 Y 4.4342 10.0550 128.8193 55.2562 40.2045 174.1166 6 I 4.0738 7.8428 128.5436 60.7821 38.0748 175.7164 7 V 4.1934 8.0125 127.8334 61.1866 33.1287 175.2620 8 T 4.2202 8.1894 118.1544 60.3396 70.9184 175.8156 9 W 4.3435 8.8312 122.2717 60.2801 29.1163 178.3677 10 D 4.4622 8.3082 118.0583 57.8949 40.3589 178.7891 11 M 4.0297 7.7554 117.8746 58.1233 31.9105 178.5593 12 L 4.0407 8.1612 120.6968 58.2873 42.2708 178.8987 13 Q 4.0538 8.4153 119.5337 59.1343 28.8277 178.2174 14 I 3.7272 7.6371 120.9088 64.6800 37.1379 178.1533 15 H 4.2800 8.2162 116.8976 58.6383 28.4925 177.7415 16 A 3.9944 8.2237 122.8066 55.2565 18.2041 179.9610 17 R 3.9231 8.0814 116.6436 58.9852 29.8460 179.2269 18 K 3.9328 7.6029 119.1236 59.4244 32.3895 178.4183 19 L 4.0334 7.9427 120.4234 57.8981 42.0203 178.7011 20 A 4.0124 8.1837 121.2294 55.0907 18.0588 179.7587 21 S 4.1656 7.9989 112.3193 61.4138 62.8549 176.5580 22 R 4.2390 7.6651 120.2215 57.6897 30.0353 177.5544 23 L 4.6799 7.3249 116.9067 54.1517 42.2970 176.5796 24 M 4.4164 7.1259 118.5109 54.1528 32.7840 174.5902 25 P 4.5581 0.0000 0.0000 62.2526 32.6819 177.6772 26 S 4.5370 8.6084 114.5970 61.2205 63.3487 176.1867 27 E 3.9651 8.1975 120.1632 59.1681 29.1967 177.8316 28 Q 3.8584 7.2518 113.4692 56.7119 28.9146 175.7467 29 W 5.0704 7.6628 122.0222 55.7410 30.8896 176.7670 30 K 4.0279 9.1095 127.3102 57.4004 32.3886 174.1436 31 G 3.7328 6.3034 103.9890 46.2729 0.0000 171.9450 32 I 5.1322 8.4183 120.0244 59.4244 41.0611 175.2975 33 I 4.8447 9.0697 127.1518 59.5653 39.6019 174.3875 34 A 4.8868 9.0639 130.4714 50.8008 20.7538 176.2412 35 V 4.1059 8.6131 123.1693 61.9881 32.4927 175.3065 36 S 4.4742 8.5657 124.1679 58.5540 62.5286 174.1410 37 R 4.3344 8.7068 124.3283 56.6929 31.4931 178.5109 38 G 3.8424 7.7763 105.9731 47.7221 0.0000 174.5583 39 G 3.8161 8.7237 107.4152 46.2108 0.0000 175.4403 40 L 3.8667 7.7537 121.1963 57.9409 41.6300 179.5127 41 V 3.6319 7.3274 117.1613 65.7435 31.6964 176.2048 42 P 4.4655 0.0000 0.0000 65.4940 31.1974 178.8540 43 G 3.5780 8.5885 104.9423 47.6810 0.0000 175.6856 44 A 4.0612 8.1087 123.1358 54.8983 18.3729 179.7915 45 L 4.0207 7.9977 117.6065 57.8878 41.6963 179.7082 46 L 3.9957 8.0034 118.8309 57.6108 41.5363 179.3266 47 A 4.0241 8.0885 120.8661 55.0046 18.0390 179.7753 48 R 3.8273 7.6537 115.9731 59.6819 30.3152 178.3367 49 E 4.1202 8.0957 117.1569 59.1765 29.5935 178.7423 50 L 4.3776 8.5375 117.3989 54.7376 41.9804 177.7151 51 G 3.8646 7.9102 106.5545 46.0940 0.0000 173.1740 52 I 4.1693 7.6830 119.9847 60.3365 37.8731 176.0763 53 R 4.3940 8.5069 122.7004 56.4684 31.5653 176.0898 54 H 4.6020 7.9375 118.9521 54.7581 29.6083 172.2067 55 V 4.8543 8.0703 122.8433 60.7800 33.6573 173.5056 56 D 5.2222 9.6065 127.3338 52.5795 45.0801 173.8243 57 T 5.7779 8.5135 109.2871 58.8045 72.7275 173.8013 58 V 4.5304 8.1252 120.3273 60.5165 34.6248 173.6851 59 C 5.0403 9.1056 124.1226 57.9915 30.2284 173.1411 60 I 5.2217 8.4653 125.8270 60.3419 40.7078 175.2716 61 S 4.9524 9.5562 126.2943 57.6029 66.7655 171.2935 62 S 5.3691 8.7041 117.9092 59.0561 65.1845 173.0049 *63 Y 4.3398 8.9182 126.4176 56.0163 39.8038 173.9723 *67 N 4.6366 9.2070 123.7057 51.1725 40.2758 173.1475 68 Q 4.6086 7.6261 116.5863 53.2648 30.4151 176.8274 69 R 4.5847 8.4156 119.5898 56.0732 31.8847 175.6120 70 E 4.7931 8.4240 122.4164 54.6746 33.1235 171.8438 71 L 4.8672 8.6731 127.0392 53.6205 43.1766 176.8319 72 K 4.5256 9.3599 129.9961 53.9834 34.9175 173.5381 73 V 4.3418 8.4400 125.6421 59.8421 31.0565 172.6732 74 L 4.1956 8.7632 127.7199 56.3910 42.0349 178.0139 75 K 4.6917 7.9392 118.7648 54.5013 35.8462 174.5674 76 R 4.9774 8.5690 125.4650 54.4463 33.1772 174.0559 77 A 4.5460 8.5813 127.4484 50.7662 19.7329 177.4657 78 E 3.9270 8.6826 121.6636 57.2940 30.2213 177.2667 79 G 3.8847 8.8055 107.5801 45.3183 0.0000 172.8590 80 D 4.8538 8.6892 115.1672 52.8937 39.9101 177.7895 81 G 3.9287 8.2370 108.0056 45.5773 0.0000 172.7792 82 E 4.2536 8.1261 120.8079 57.4898 29.7676 177.0663 83 G 4.0782 9.3930 113.9570 45.6511 0.0000 171.9393 84 F 5.3127 8.5476 117.9933 55.5510 42.7135 174.4557 85 I 4.6192 8.1657 121.4779 59.6236 39.4537 174.7493 86 V 4.7379 8.2775 127.6522 61.4091 33.2616 174.3590 87 I 5.6630 8.6383 127.5245 58.2753 41.3783 173.4426 88 D 5.3220 8.4868 126.9219 52.2664 44.8296 175.6944 89 D 4.7288 8.9363 122.1365 56.4422 40.6493 175.6161 90 L 5.1250 7.4835 115.8714 55.7509 43.4709 174.6075 91 V 3.9967 8.0652 118.5925 61.6622 33.7843 173.9889 92 D 4.6506 9.0926 128.9699 54.8209 40.9237 177.6036 93 T 4.1993 8.0739 110.5958 61.1972 70.9650 175.8391 94 G 3.9667 8.3754 109.9244 45.7862 0.0000 175.2593 95 G 3.6133 7.9035 107.8993 47.7228 0.0000 176.3788 96 T 3.9560 7.9031 111.2457 63.9017 69.2176 176.7299 97 A 3.8524 7.9073 123.3178 54.8063 18.4943 179.5922 98 V 3.4973 7.7116 116.4490 65.9739 31.6789 178.1682 99 A 3.9345 7.3916 118.5089 55.1272 18.2130 179.7216 100 I 3.5954 7.4043 118.1276 64.5605 36.9177 178.8315 101 R 3.9097 7.4771 117.7587 59.2166 29.9176 178.4230 102 E 4.0030 7.7740 118.0421 59.4622 29.6917 178.4510 103 M 4.0213 7.5456 117.5032 56.5886 33.1267 176.2965 104 Y 5.1688 7.7208 116.6745 54.2596 38.2776 174.2256 105 P 4.3671 0.0000 0.0000 65.1956 32.0020 177.8832 106 K 4.2950 8.0555 114.1344 56.9157 32.4510 176.6674 107 A 4.7225 7.5704 120.9242 52.0756 19.7629 177.6568 108 H 4.9113 9.0421 120.8406 54.7408 29.9896 172.6954 109 F 5.1013 9.1508 127.4412 57.9415 40.4774 174.2596 110 V 4.8158 8.7761 118.9662 59.9943 36.5492 174.2219 111 T 5.4349 8.0840 111.2305 60.0088 72.4990 174.9888 112 I 3.6355 8.4396 121.7578 63.8824 38.2220 176.2074 113 F 5.4219 8.0059 119.7287 56.0528 42.2813 174.8475 114 A 4.7548 8.5200 121.9133 51.0637 22.5059 176.2624 115 K 5.1194 8.7069 122.5569 54.0453 34.0035 176.3239 116 P 4.0943 0.0000 0.0000 65.9804 31.4491 177.8472 117 A 4.0704 8.7064 119.7309 55.0846 18.4841 178.6557 118 G 3.9153 7.7645 102.5337 45.5305 0.0000 175.5173 119 R 3.6415 7.6911 121.7237 58.8105 30.1111 176.8025 120 P 4.4269 0.0000 0.0000 64.7027 31.5021 177.1677 121 L 4.3103 7.6726 116.5849 55.8649 41.9855 177.1492 122 V 4.4888 7.0365 111.1095 59.5875 33.4281 175.8266 123 D 4.6194 8.7945 123.3819 57.3120 41.5080 176.1850 124 D 4.7112 7.7913 115.0505 53.8367 44.5087 173.8261 125 Y 5.6977 7.9679 120.4969 57.2632 40.7166 173.9807 126 V 3.9242 8.4854 117.7727 64.0949 33.1319 175.5552 127 V 4.4791 7.8221 120.4147 61.0161 33.9408 173.8092 128 D 5.2210 8.8214 127.5671 53.9239 41.9922 175.8112 129 I 4.4740 8.2894 123.2865 58.4993 41.2443 173.7450 130 P 4.5080 0.0000 0.0000 62.3043 31.9626 177.2830 131 Q 3.9272 8.6881 122.6160 59.0806 29.0054 176.9589 132 D 4.7019 7.9805 114.1164 53.6404 40.0035 175.5356 133 T 4.6919 7.5411 117.5449 62.1726 70.0172 174.0307 134 W 4.4467 8.7523 135.0000 56.6032 32.1295 175.0061 135 I 4.1864 7.4163 128.6555 60.3978 37.6032 175.1483 136 E 4.2474 8.9659 130.4036 54.6951 30.4208 175.6948 137 Q 3.8012 7.9580 126.4277 54.3345 29.8557 175.5115 138 P 3.5596 0.0000 0.0000 65.1530 31.1432 178.9099 139 W 4.5062 6.6267 113.1449 58.8225 28.1643 176.3173 140 D 4.6915 7.4801 117.4059 54.8099 40.7674 175.3159 141 M 4.7815 6.9909 118.7878 54.0234 34.9434 174.4892 142 G 3.9515 7.8624 105.7196 45.5723 0.0000 173.5512 143 V 3.9697 8.4476 120.2792 61.8083 31.0650 175.4630 144 V 4.6360 7.8712 119.3140 58.8425 35.6427 175.3064 145 F 4.2137 8.7751 123.3600 58.3279 39.6685 174.4553 146 V 4.0364 7.0501 126.3223 59.8812 33.4893 173.3421 147 P 4.1471 0.0000 0.0000 61.9953 30.9080 174.6464 148 P 4.3967 0.0000 0.0000 62.4336 31.8831 177.8678 149 I 3.7070 8.0210 121.5321 62.8735 37.4194 176.3334 150 S 4.4128 7.4176 119.5983 58.3158 63.8002 168.0575 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 3 E 8.40 4.50 0.00 1.68 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 2.21 1.90 0.00 4 K 8.55 4.96 0.00 1.56 1.56 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.07 7.81 5 Y 10.06 4.43 0.00 2.89 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 6 I 7.84 4.07 1.66 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 1.13 0.54 0.75 0.00 0.00 7 V 8.01 4.19 1.97 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 0.86 0.00 0.00 0.74 0.00 0.00 8 T 8.19 4.22 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 1.14 0.00 0.00 9 W 8.83 4.34 0.00 3.43 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 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 7.76 4.03 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 12 L 8.16 4.04 0.00 1.85 1.95 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.42 4.05 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 14 I 7.64 3.73 1.93 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 1.09 0.88 0.00 0.00 15 H 8.22 4.28 0.00 3.23 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 8.22 3.99 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 17 R 8.08 3.92 0.00 2.03 1.99 0.00 3.14 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 18 K 7.60 3.93 0.00 1.67 2.00 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 19 L 7.94 4.03 0.00 1.75 1.75 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.18 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 21 S 8.00 4.17 0.00 4.06 4.14 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 0.00 0.00 0.00 22 R 7.67 4.24 0.00 1.89 2.04 0.00 3.32 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 23 L 7.32 4.68 0.00 1.82 1.84 0.76 0.93 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 24 M 7.13 4.42 0.00 2.08 2.16 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 2.66 2.85 0.00 25 P 0.00 4.56 0.00 2.31 2.13 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 26 S 8.61 4.54 0.00 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 0.00 27 E 8.20 3.97 0.00 1.88 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 2.28 2.34 0.00 28 Q 7.25 3.86 0.00 1.54 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 29 W 7.66 5.07 0.00 3.32 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 30 K 9.11 4.03 0.00 1.50 1.72 0.00 1.87 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 1.37 1.27 7.81 31 G 6.30 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 32 I 8.42 5.13 1.88 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 1.09 0.84 0.88 0.00 0.00 33 I 9.07 4.84 1.64 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.06 0.63 0.00 0.00 34 A 9.06 4.89 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 35 V 8.61 4.11 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 0.98 0.00 0.00 1.05 0.00 0.00 36 S 8.57 4.47 0.00 3.93 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 37 R 8.71 4.33 0.00 1.79 1.75 0.00 3.15 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.78 3.84 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 0.00 0.00 0.00 39 G 8.72 3.82 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 0.00 40 L 7.75 3.87 0.00 1.59 1.63 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.33 3.63 2.17 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 1.54 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.47 0.00 2.23 2.13 0.00 3.72 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 2.36 2.37 0.00 43 G 8.59 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 44 A 8.11 4.06 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 45 L 8.00 4.02 0.00 1.91 1.76 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.00 4.00 0.00 1.81 1.65 0.82 0.84 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 8.09 4.02 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 48 R 7.65 3.83 0.00 1.96 2.14 0.00 3.44 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 1.64 1.81 0.00 49 E 8.10 4.12 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 2.60 2.50 0.00 50 L 8.54 4.38 0.00 1.67 1.78 0.87 1.11 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 51 G 7.91 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.68 4.17 1.86 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 1.45 0.63 0.93 0.00 0.00 53 R 8.51 4.39 0.00 1.79 1.96 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 54 H 7.94 4.60 0.00 3.29 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.07 4.85 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 0.84 0.00 0.00 0.94 0.00 0.00 56 D 9.61 5.22 0.00 2.75 2.47 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 57 T 8.51 5.78 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 1.19 0.00 0.00 58 V 8.13 4.53 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 0.81 0.00 0.00 1.04 0.00 0.00 59 C 9.11 5.04 0.00 2.97 2.87 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 60 I 8.47 5.22 1.88 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 1.20 0.61 0.91 0.00 0.00 61 S 9.56 4.95 0.00 3.33 3.70 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 62 S 8.70 5.37 0.00 3.34 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 8.92 4.34 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.21 4.64 0.00 2.76 2.73 0.00 0.00 6.61 7.46 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 68 Q 7.63 4.61 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.68 0.00 0.00 0.00 0.00 0.00 2.21 1.89 0.00 69 R 8.42 4.58 0.00 1.73 1.84 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 70 E 8.42 4.79 0.00 1.66 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 2.20 1.87 0.00 71 L 8.67 4.87 0.00 1.50 1.62 0.91 0.82 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 9.36 4.53 0.00 1.35 1.65 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.22 7.81 73 V 8.44 4.34 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 0.89 0.00 0.00 0.93 0.00 0.00 74 L 8.76 4.20 0.00 1.54 1.75 0.92 0.60 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 75 K 7.94 4.69 0.00 1.74 1.58 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.35 7.81 76 R 8.57 4.98 0.00 1.80 1.73 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 77 A 8.58 4.55 1.23 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 0.00 0.00 0.00 78 E 8.68 3.93 0.00 1.96 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 2.32 2.32 0.00 79 G 8.81 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 80 D 8.69 4.85 0.00 2.94 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 81 G 8.24 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 82 E 8.13 4.25 0.00 2.16 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 2.42 2.34 0.00 83 G 9.39 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 0.00 0.00 0.00 84 F 8.55 5.31 0.00 3.10 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 85 I 8.17 4.62 1.56 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 0.67 0.00 0.00 86 V 8.28 4.74 2.31 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 1.06 0.00 0.00 0.82 0.00 0.00 87 I 8.64 5.66 1.82 0.00 0.00 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 1.09 1.46 0.90 0.00 0.00 88 D 8.49 5.32 0.00 3.00 2.56 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 89 D 8.94 4.73 0.00 3.12 3.40 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 90 L 7.48 5.12 0.00 1.64 1.82 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.07 4.00 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 1.12 0.00 0.00 0.94 0.00 0.00 92 D 9.09 4.65 0.00 2.72 2.52 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 93 T 8.07 4.20 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 8.38 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 7.90 3.61 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 0.00 0.00 0.00 96 T 7.90 3.96 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 1.24 0.00 0.00 97 A 7.91 3.85 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 98 V 7.71 3.50 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 0.98 0.00 0.00 0.97 0.00 0.00 99 A 7.39 3.93 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 0.00 100 I 7.40 3.60 1.50 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 1.59 0.59 0.76 0.00 0.00 101 R 7.48 3.91 0.00 1.90 1.96 0.00 3.36 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 102 E 7.77 4.00 0.00 2.08 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 2.29 0.00 103 M 7.55 4.02 0.00 1.08 1.38 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 104 Y 7.72 5.17 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 0.00 105 P 0.00 4.37 0.00 2.07 2.12 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.32 0.00 106 K 8.06 4.29 0.00 2.04 1.95 0.00 2.15 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.49 7.81 107 A 7.57 4.72 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 0.00 108 H 9.04 4.91 0.00 3.57 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.15 5.10 0.00 3.14 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 8.78 4.82 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 0.54 0.00 0.00 0.78 0.00 0.00 111 T 8.08 5.43 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 0.89 0.00 0.00 112 I 8.44 3.64 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 -0.03 0.00 0.00 113 F 8.01 5.42 0.00 2.92 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 4.75 0.45 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 0.00 0.00 115 K 8.71 5.12 0.00 1.82 1.65 0.00 1.94 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.15 7.81 116 P 0.00 4.09 0.00 2.14 2.11 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 117 A 8.71 4.07 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 0.00 118 G 7.76 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 0.00 119 R 7.69 3.64 0.00 1.78 1.98 0.00 3.16 0.00 0.00 3.01 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.23 0.00 120 P 0.00 4.43 0.00 2.09 2.11 0.00 3.85 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 2.02 2.10 0.00 121 L 7.67 4.31 0.00 1.90 1.85 0.96 0.96 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 0.00 122 V 7.04 4.49 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 0.38 0.00 0.00 0.97 0.00 0.00 123 D 8.79 4.62 0.00 2.46 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 0.00 124 D 7.79 4.71 0.00 2.76 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 0.00 125 Y 7.97 5.70 0.00 2.88 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 0.00 126 V 8.49 3.92 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 0.67 0.00 0.00 0.84 0.00 0.00 127 V 7.82 4.48 2.17 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 0.98 0.00 0.00 0.63 0.00 0.00 128 D 8.82 5.22 0.00 2.66 2.60 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 0.00 129 I 8.29 4.47 1.69 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.62 0.00 0.00 130 P 0.00 4.51 0.00 2.13 1.94 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 131 Q 8.69 3.93 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 7.98 4.70 0.00 2.84 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 0.00 133 T 7.54 4.69 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 1.29 0.00 0.00 134 W 8.75 4.45 0.00 3.48 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 0.00 135 I 7.42 4.19 1.29 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 0.75 0.29 0.22 0.00 0.00 136 E 8.97 4.25 0.00 2.10 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 2.25 0.00 137 Q 7.96 3.80 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.61 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 138 P 0.00 3.56 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 139 W 6.63 4.51 0.00 3.45 3.49 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 0.00 140 D 7.48 4.69 0.00 2.74 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 0.00 141 M 6.99 4.78 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.38 0.00 142 G 7.86 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 0.00 143 V 8.45 3.97 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 7.87 4.64 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 0.96 0.00 0.00 145 F 8.78 4.21 0.00 2.97 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 7.05 4.04 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 0.76 0.00 0.00 0.89 0.00 0.00 147 P 0.00 4.15 0.00 2.04 2.04 0.00 3.61 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.29 0.00 148 P 0.00 4.40 0.00 2.18 1.96 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 149 I 8.02 3.71 1.85 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 1.27 0.43 0.90 0.00 0.00 150 S 7.42 4.41 0.00 4.12 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 * Residues marked with a * may have inaccurate shift predictions.