NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7242 8.4545 109.7037 44.4007 0.0000 174.5347 2 L 3.9848 7.3444 119.1313 51.8910 43.8715 179.5636 3 F 4.8369 8.2041 122.6149 57.2993 40.1560 177.4975 *4 D 4.4154 8.4104 124.5180 57.2060 39.6005 183.0467 5 K 4.1860 8.1717 119.6663 57.3484 31.8900 179.1654 6 L 4.1168 7.4086 121.1194 55.2087 42.2770 178.0055 7 K 4.3440 8.3704 121.9273 54.0142 32.5886 177.4721 8 S 4.8979 8.1238 115.6969 55.3900 65.8059 173.7474 9 L 4.0006 8.2693 121.0376 54.7420 41.7352 177.2416 10 V 4.3261 8.2043 124.7054 61.5162 34.2305 176.1707 11 S 4.2126 8.5285 120.5229 59.7978 61.3482 174.5665 *19 T 4.2327 8.6142 110.5821 63.1878 67.8812 171.2210 20 I 4.5710 8.7249 128.4164 59.6431 39.7643 174.3298 21 E 5.3238 8.7872 125.2916 54.6263 32.2581 175.1902 22 I 4.6321 9.4414 126.0791 59.6965 39.7184 175.0010 23 I 4.7642 8.5483 127.5291 59.6671 38.9550 175.6087 24 A 4.1462 9.1424 127.9044 52.3631 18.7921 176.4096 25 P 4.9333 0.0000 0.0000 63.2560 33.0580 175.1805 26 L 5.0958 7.7035 118.9360 55.1875 43.2916 174.4497 27 S 4.7550 9.9249 114.4855 56.8861 66.8457 174.6299 28 G 4.2883 7.3528 106.9176 46.0634 0.0000 171.7395 29 E 4.8324 8.3902 120.5682 55.3323 31.2716 176.3115 30 I 4.3668 8.6866 125.5306 61.4682 38.1262 175.4968 31 V 4.5400 8.5130 124.4475 60.9013 35.7378 174.1980 32 N 4.7688 8.5261 121.5328 52.6089 39.4228 176.0899 33 I 3.6323 8.6486 123.8631 64.0423 38.1216 177.3256 34 E 4.2044 8.2403 116.4915 58.7822 29.0715 177.1310 35 D 4.7607 9.5301 117.1673 53.7476 41.4658 176.3868 36 V 3.7163 8.0552 121.5227 61.9201 32.1058 175.8742 37 P 4.5702 0.0000 0.0000 61.4867 30.1146 177.0213 38 D 4.2862 7.9373 114.8296 53.3605 43.7236 175.3561 39 V 3.6121 8.6187 127.5485 66.6707 31.1903 178.0724 40 V 3.5498 8.4858 111.7320 63.7038 31.1626 177.6046 41 F 4.7375 8.2720 118.1709 59.2097 39.0260 177.4642 42 A 4.1581 8.1136 121.1816 55.5202 18.2225 178.1457 43 E 4.3911 8.3703 111.7613 55.4798 28.7918 176.2451 44 K 4.7477 8.2385 117.8549 56.7023 30.3795 178.1264 45 I 3.7596 7.9530 119.9542 64.5641 37.1492 178.4218 46 V 3.6282 8.2264 120.2821 63.3922 31.8503 175.8969 47 G 4.5357 6.0731 102.6172 45.3832 0.0000 170.1949 48 D 5.3334 8.1278 117.4001 51.9478 44.6218 176.3127 49 G 4.1166 7.4055 109.9676 46.3328 0.0000 170.3923 50 I 4.7544 7.9159 115.6800 59.1070 41.7793 174.2350 51 A 5.0399 8.4310 122.3748 50.3098 23.0950 175.4333 52 I 4.8156 7.7856 118.8901 59.7084 41.5613 175.3075 53 K 4.3436 9.2099 129.8137 55.7107 33.3109 173.8029 54 P 5.3918 0.0000 0.0000 61.1285 33.5636 173.9612 55 T 3.9436 10.1664 112.3316 61.8000 68.0295 175.5395 56 G 4.0350 8.8227 115.6502 45.8711 0.0000 171.7180 57 N 4.1826 8.4561 120.3300 51.8882 35.8681 172.7485 58 K 4.4423 6.9146 113.7874 56.0576 35.6611 173.7891 59 M 5.3225 9.1054 120.0595 53.8261 35.0655 175.4624 60 V 4.8834 9.2776 121.2749 60.5996 36.1830 173.9718 61 A 4.2298 8.2215 125.8403 52.5440 19.1037 176.2868 62 P 4.9558 0.0000 0.0000 62.3458 33.0537 174.9179 63 V 4.6215 7.2772 110.4921 60.5123 35.8215 172.2712 64 D 4.6391 8.6054 122.9056 53.8150 42.1339 176.6744 65 G 4.7730 7.5212 108.7781 46.4454 0.0000 171.2458 66 T 5.0991 8.3041 117.1776 61.5714 72.3383 173.4819 67 I 4.2749 8.6746 127.2793 61.9213 38.4272 174.6518 68 G 3.8392 9.5706 122.9184 48.2031 0.0000 176.2050 *69 K 4.7042 6.0659 124.6920 53.9207 34.8290 178.7542 70 I 4.9033 8.6385 122.5401 59.1232 39.8933 175.4446 71 F 4.3689 9.0369 126.9368 57.9464 39.1971 176.5514 72 E 3.8560 9.1195 124.5105 59.6858 29.8993 177.4414 73 T 4.2118 7.9893 111.2306 61.5329 67.8472 174.2544 74 N 4.3841 7.9403 116.3286 54.1513 36.4942 173.5458 75 H 3.7948 7.0935 113.6156 55.6430 31.5409 174.6004 76 A 4.8199 7.2781 119.7837 51.4998 22.7439 174.3897 77 F 5.1743 7.7768 113.2751 56.5245 41.7513 172.8002 78 S 5.1965 9.1278 113.7372 57.0440 66.8695 172.4912 79 I 4.7974 8.4639 117.8272 60.3075 42.0591 172.6901 80 E 5.3381 8.8144 127.6327 54.4352 31.7184 175.9736 81 S 4.8196 8.9135 120.2526 58.0787 64.2002 175.4857 82 D 4.6857 8.8360 121.5266 57.0033 40.7182 178.5172 83 S 4.2050 8.0110 111.9961 58.8074 63.6090 174.3300 84 G 3.7979 8.5438 109.6969 46.4049 0.0000 173.2757 85 V 4.5269 8.2837 118.3085 60.6781 35.1707 173.9049 86 E 5.2064 8.6462 123.4691 54.6377 32.4216 175.0825 87 L 5.3660 9.5502 125.0882 52.9328 45.9809 175.3722 88 F 5.2145 9.4230 122.8506 56.6379 43.0827 173.2948 89 V 4.3075 7.8983 126.1951 61.0726 33.8625 173.5810 90 H 4.4176 8.1422 127.7065 53.8803 32.6123 172.1091 91 F 3.8727 8.6190 129.8746 58.4658 39.5449 176.5445 92 G 3.7921 8.2168 117.6252 44.4536 0.0000 171.5958 93 I 4.4112 7.6591 111.6913 60.2295 39.0548 175.9466 94 D 4.7797 9.0974 123.7294 55.1485 38.0967 175.6214 95 T 3.9714 7.4702 113.5036 65.2272 68.1633 176.1387 96 V 3.5146 8.0963 121.2214 64.4021 30.8283 177.5035 97 E 4.2051 8.2484 117.0866 58.4503 29.9108 178.0568 98 L 4.2373 9.2112 120.3854 54.7126 41.5222 177.2422 99 K 3.9719 8.7776 117.3657 57.3701 30.4114 176.1487 100 G 4.3063 8.6413 104.7274 44.9537 0.0000 173.7225 101 E 4.4470 8.3664 121.6029 56.1728 28.2552 174.5260 102 G 3.0668 7.7507 117.8448 44.4057 0.0000 170.9237 103 F 5.2273 7.2090 120.8248 56.1902 41.4998 175.8587 104 K 4.5639 8.8922 126.4643 53.6764 35.7545 175.6503 105 R 4.4111 8.8199 126.7296 55.2033 29.1547 175.8474 106 I 4.0399 8.3530 127.2051 63.8267 38.0756 176.5015 107 A 4.4887 8.0324 124.9867 51.5117 20.4799 177.1428 108 E 4.6155 8.2435 113.3010 54.0253 33.7075 171.7307 109 E 4.3290 8.7708 125.5849 53.9492 29.5521 177.6303 110 G 4.8754 7.2289 117.2748 46.1344 0.0000 171.5173 111 Q 4.4328 7.4946 121.5842 56.1519 30.5917 176.0724 112 R 4.8271 8.3585 120.0893 56.6521 30.9722 176.5006 113 V 4.7427 9.1301 117.0145 60.2412 36.9783 174.8221 *114 K 5.0055 9.5857 124.4160 52.8551 35.6807 174.8334 115 V 3.9269 8.1631 118.6901 65.5252 31.8458 176.0043 116 G 4.1730 8.6288 113.8950 45.5844 0.0000 174.1237 117 D 4.4545 7.7891 119.8051 54.9024 41.6766 176.8660 118 T 4.1117 8.6230 119.6728 64.3696 68.8640 173.7334 119 V 4.1368 9.1434 123.2679 64.1744 34.4907 175.2924 120 I 5.0922 7.5064 118.1943 60.0199 41.9781 173.7800 121 E 5.1189 9.5714 123.5102 54.7780 33.1776 175.0031 122 F 5.7024 7.9459 115.8557 55.2598 41.6819 174.2855 123 D 4.7388 7.9005 119.2238 52.2276 39.2385 176.3147 124 L 4.0883 8.0567 122.7319 57.1106 43.0480 175.4641 125 P 4.5918 0.0000 0.0000 64.2222 32.0436 177.3883 126 L 3.8939 8.0586 119.2223 58.3498 41.9765 178.9951 127 L 4.0238 7.8465 118.7758 57.8608 41.2557 179.3598 128 E 4.0116 8.0018 118.7576 58.5150 29.6988 177.7263 129 E 4.4564 8.0088 114.8985 57.0219 30.6801 178.0268 130 K 4.0902 8.0131 119.1972 58.4431 32.7739 177.5030 131 A 4.1905 7.1395 123.0664 52.8502 18.9992 178.4595 132 K 4.2068 8.6918 122.2467 57.3776 32.1889 177.8587 133 S 4.6668 7.6950 111.8233 57.2934 65.1623 173.7811 134 T 4.3236 8.1215 116.9881 61.3029 68.3221 174.3804 135 L 3.8231 7.6165 121.1917 56.6233 42.9872 176.7024 136 T 4.6035 7.9894 117.6314 59.5230 71.0670 171.3394 137 P 4.1629 0.0000 0.0000 62.2722 32.9480 175.9095 138 V 4.3867 9.0419 122.9681 61.3749 34.2515 174.4999 139 V 4.9855 8.7105 120.5899 59.6978 36.8288 174.6673 140 I 5.4532 9.1235 124.0571 59.6621 38.0436 176.9151 141 S 4.6656 9.1658 122.2275 58.7341 64.4438 174.1762 142 N 4.8083 7.8857 118.1437 52.6993 38.0361 176.9439 143 M 3.9047 8.3732 120.7925 59.8874 32.5345 178.7446 144 D 4.3238 8.4845 118.5762 57.3424 39.0906 178.1184 145 E 4.3810 8.3761 112.9576 55.3794 29.7967 177.6884 146 I 4.5821 7.8946 115.4016 60.3988 39.7734 176.2267 *147 K 4.1913 8.8770 128.8946 57.7697 31.8018 173.5335 148 E 4.7702 8.5875 121.9633 53.8844 33.2580 174.1762 149 L 4.9689 8.4444 126.1861 53.6725 44.8497 175.1596 150 I 4.4624 9.9510 128.0775 59.4717 39.6765 175.0552 151 K 4.7361 8.6034 126.9750 55.2609 32.7831 176.8142 152 L 4.4574 8.8703 126.6221 54.0669 43.3709 175.5569 153 S 4.6266 7.9835 113.4185 57.6438 66.8424 175.4331 154 G 3.8310 8.2587 110.0554 46.7985 0.0000 174.0334 155 S 4.8419 8.4575 120.2821 58.1389 64.0251 173.6286 156 V 4.6253 8.4371 114.9806 60.2821 36.6566 173.6652 157 T 4.9852 9.5684 118.3569 59.7732 70.5500 173.6811 158 V 3.8778 9.6644 128.8197 63.5728 31.5118 176.8337 159 G 3.9091 9.0513 110.3933 46.1476 0.0000 173.1711 160 E 4.4757 7.5910 116.3717 57.9057 32.6538 176.1351 161 T 4.1571 7.4850 115.1210 63.3894 70.2715 171.4273 162 P 5.0476 0.0000 0.0000 62.0072 32.4550 176.0975 163 V 4.2553 9.2188 116.3509 62.5385 33.7221 175.8710 164 I 5.1367 7.4630 118.8705 60.2265 41.0727 174.0023 165 R 5.1728 9.7453 124.7115 54.6643 33.8386 174.7865 166 I 4.4649 9.7445 118.4064 59.9333 41.7832 174.5063 *167 K 4.8249 9.0496 130.5909 54.1580 33.9418 177.1556 168 K 4.2047 8.6070 126.1229 53.6491 32.0891 172.5688 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.45 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.34 3.98 0.00 1.71 1.41 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.20 4.84 0.00 3.08 3.03 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 *4 D 8.41 4.42 0.00 2.69 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 5 K 8.17 4.19 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 L 7.41 4.12 0.00 1.74 1.71 1.04 1.26 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 7 K 8.37 4.34 0.00 1.77 1.58 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 0.99 7.81 8 S 8.12 4.90 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.27 4.00 0.00 1.63 1.65 0.91 0.79 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 10 V 8.20 4.33 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 0.94 0.00 0.00 11 S 8.53 4.21 0.00 3.66 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 *19 T 8.61 4.23 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 20 I 8.72 4.57 1.88 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 1.01 0.92 0.00 0.00 21 E 8.79 5.32 0.00 1.81 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 2.19 2.30 0.00 22 I 9.44 4.63 1.88 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 0.85 0.96 0.00 0.00 23 I 8.55 4.76 2.01 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 1.18 0.53 1.02 0.00 0.00 24 A 9.14 4.15 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 25 P 0.00 4.93 0.00 2.26 2.41 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.79 0.00 26 L 7.70 5.10 0.00 2.05 1.78 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.92 4.76 0.00 3.82 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 28 G 7.35 4.29 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 0.00 29 E 8.39 4.83 0.00 1.88 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 2.35 2.27 0.00 30 I 8.69 4.37 1.93 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 1.09 0.63 0.93 0.00 0.00 31 V 8.51 4.54 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 0.94 0.00 0.00 0.92 0.00 0.00 32 N 8.53 4.77 0.00 3.16 2.71 0.00 0.00 6.43 7.32 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 33 I 8.65 3.63 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 1.01 0.00 0.00 34 E 8.24 4.20 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 35 D 9.53 4.76 0.00 2.63 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 36 V 8.06 3.72 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 0.80 0.00 0.00 0.73 0.00 0.00 37 P 0.00 4.57 0.00 2.24 2.12 0.00 3.86 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 2.00 1.94 0.00 38 D 7.94 4.29 0.00 2.73 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 39 V 8.62 3.61 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 1.08 0.00 0.00 0.93 0.00 0.00 40 V 8.49 3.55 1.78 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 0.60 0.00 0.00 0.37 0.00 0.00 41 F 8.27 4.74 0.00 3.39 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 42 A 8.11 4.16 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 43 E 8.37 4.39 0.00 1.96 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 2.30 2.42 0.00 44 K 8.24 4.75 0.00 1.95 1.97 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.31 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.58 1.72 7.81 45 I 7.95 3.76 1.87 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 1.39 0.61 0.87 0.00 0.00 46 V 8.23 3.63 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 0.78 0.00 0.00 0.68 0.00 0.00 47 G 6.07 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 48 D 8.13 5.33 0.00 2.75 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.41 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 50 I 7.92 4.75 1.81 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 1.13 0.77 0.92 0.00 0.00 51 A 8.43 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.79 4.82 1.75 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 1.07 1.03 0.91 0.00 0.00 53 K 9.21 4.34 0.00 1.73 1.63 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 54 P 0.00 5.39 0.00 2.21 2.02 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 55 T 10.17 3.94 4.28 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 1.24 0.00 0.00 56 G 8.82 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.46 4.18 0.00 2.83 2.93 0.00 0.00 6.11 6.94 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 58 K 6.91 4.44 0.00 1.75 1.59 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.37 7.81 59 M 9.11 5.32 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.70 0.00 60 V 9.28 4.88 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 1.02 0.00 0.00 1.02 0.00 0.00 61 A 8.22 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.96 0.00 2.11 2.33 0.00 3.82 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 63 V 7.28 4.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.99 0.00 0.00 64 D 8.61 4.64 0.00 2.62 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 65 G 7.52 4.77 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 66 T 8.30 5.10 4.28 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 1.27 0.00 0.00 67 I 8.67 4.27 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.95 0.00 0.00 68 G 9.57 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 *69 K 6.07 4.70 0.00 1.47 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.28 7.81 70 I 8.64 4.90 1.95 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 1.44 1.16 1.02 0.00 0.00 71 F 9.04 4.37 0.00 2.85 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 72 E 9.12 3.86 0.00 1.92 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 2.32 2.36 0.00 73 T 7.99 4.21 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 1.19 0.00 0.00 74 N 7.94 4.38 0.00 2.92 3.06 0.00 0.00 6.64 7.76 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 75 H 7.09 3.79 0.00 2.32 2.39 0.00 5.51 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 76 A 7.28 4.82 0.73 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 77 F 7.78 5.17 0.00 3.29 3.11 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 78 S 9.13 5.20 0.00 4.06 4.13 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 0.00 0.00 0.00 0.00 79 I 8.46 4.80 2.13 0.00 0.00 1.00 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 1.29 1.34 0.00 0.00 80 E 8.81 5.34 0.00 2.00 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 2.25 2.37 0.00 81 S 8.91 4.82 0.00 3.93 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.84 4.69 0.00 2.78 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 83 S 8.01 4.20 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.80 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 0.00 0.00 0.00 85 V 8.28 4.53 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 0.99 0.00 0.00 0.95 0.00 0.00 86 E 8.65 5.21 0.00 1.94 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 2.31 2.33 0.00 87 L 9.55 5.37 0.00 1.55 1.51 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.42 5.21 0.00 2.89 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.90 4.31 1.16 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 0.73 0.00 0.00 0.54 0.00 0.00 90 H 8.14 4.42 0.00 2.29 2.76 0.00 5.63 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.62 3.87 0.00 3.00 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 92 G 8.22 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 93 I 7.66 4.41 1.99 0.00 0.00 0.91 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 102 G 7.75 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.21 5.23 0.00 3.15 3.16 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 0.00 104 K 8.89 4.56 0.00 1.38 1.61 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.24 7.81 105 R 8.82 4.41 0.00 1.83 1.93 0.00 3.35 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 106 I 8.35 4.04 1.83 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 1.25 0.51 0.88 0.00 0.00 107 A 8.03 4.49 1.12 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 0.00 108 E 8.24 4.62 0.00 1.67 1.76 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 2.13 2.11 0.00 109 E 8.77 4.33 0.00 1.98 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 2.45 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0.00 0.00 0.00 0.00 0.00 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 0.00 119 V 9.14 4.14 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 0.09 0.00 0.00 0.70 0.00 0.00 120 I 7.51 5.09 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.31 1.18 0.00 0.00 121 E 9.57 5.12 0.00 1.80 1.70 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 2.09 2.16 0.00 122 F 7.95 5.70 0.00 2.40 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 0.00 123 D 7.90 4.74 0.00 2.57 2.43 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 0.00 124 L 8.06 4.09 0.00 1.99 1.82 1.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.59 0.00 2.19 2.07 0.00 3.63 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 2.05 2.13 0.00 126 L 8.06 3.89 0.00 1.73 1.84 0.96 0.66 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 135 L 7.62 3.82 0.00 1.49 1.40 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.99 4.60 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 137 P 0.00 4.16 0.00 1.13 0.96 0.00 3.39 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.28 0.00 138 V 9.04 4.39 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 0.99 0.00 0.00 0.82 0.00 0.00 139 V 8.71 4.99 2.27 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 0.78 0.00 0.00 1.30 0.00 0.00 140 I 9.12 5.45 2.00 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 0.93 1.63 0.96 0.00 0.00 141 S 9.17 4.67 0.00 3.84 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 0.00 142 N 7.89 4.81 0.00 2.93 3.07 0.00 0.00 6.24 7.66 0.00 0.00 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 M 8.37 3.90 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 144 D 8.48 4.32 0.00 2.77 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 0.00 145 E 8.38 4.38 0.00 2.00 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 2.25 2.11 0.00 146 I 7.89 4.58 1.88 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 1.17 1.16 0.92 0.00 0.00 *147 K 8.88 4.19 0.00 1.56 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.01 7.81 148 E 8.59 4.77 0.00 2.00 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 2.18 2.21 0.00 149 L 8.44 4.97 0.00 1.64 1.50 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 150 I 9.95 4.46 1.87 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 0.67 0.91 0.00 0.00 151 K 8.60 4.74 0.00 1.63 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.46 7.81 152 L 8.87 4.46 0.00 1.69 1.63 0.92 0.76 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 0.00 153 S 7.98 4.63 0.00 3.75 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 0.00 154 G 8.26 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.46 4.84 0.00 3.77 3.80 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 0.00 156 V 8.44 4.63 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 0.63 0.00 0.00 0.97 0.00 0.00 157 T 9.57 4.99 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 0.00 158 V 9.66 3.88 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 0.75 0.00 0.00 0.97 0.00 0.00 159 G 9.05 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 0.00 160 E 7.59 4.48 0.00 2.01 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 2.49 2.39 0.00 161 T 7.49 4.16 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 1.28 0.00 0.00 162 P 0.00 5.05 0.00 1.95 1.97 0.00 3.92 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 1.98 1.99 0.00 163 V 9.22 4.26 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 0.71 0.00 0.00 0.94 0.00 0.00 164 I 7.46 5.14 1.87 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 1.34 0.70 0.94 0.00 0.00 165 R 9.75 5.17 0.00 1.59 1.78 0.00 3.08 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 166 I 9.74 4.46 2.00 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 1.10 1.17 0.92 0.00 0.00 *167 K 9.05 4.82 0.00 1.44 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.23 7.81 168 K 8.61 4.20 0.00 1.75 1.58 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.