NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4525 8.2893 120.3259 55.7283 33.3356 173.8965 2 R 4.2050 7.8055 115.8091 54.4131 31.7512 172.5919 3 L 4.1861 9.1233 121.8102 54.7040 43.0854 177.3985 4 L 4.3681 8.5503 126.9705 56.9304 42.4057 176.5246 5 H 5.2055 7.4683 110.1546 55.5338 31.4651 172.3009 6 T 4.5701 8.5553 115.3909 61.9389 71.1967 172.9769 7 M 4.7444 8.5632 126.4182 54.0975 33.8654 175.0125 8 L 4.5277 8.6392 125.4094 52.7495 45.8514 175.7939 9 R 4.5371 8.3960 122.3404 55.8167 30.6591 176.2630 10 V 4.7271 8.7538 117.4431 59.5882 34.3605 176.5315 11 G 3.7840 9.6470 111.6207 47.1947 0.0000 173.3191 12 D 4.2408 7.9198 119.2542 51.8456 43.3652 174.7029 13 L 3.9169 7.9637 129.3228 58.6724 42.0675 178.6214 14 Q 4.0656 7.9259 118.5920 58.9929 28.8985 177.8433 15 R 3.9182 8.7956 120.3020 59.5350 30.1012 178.8143 16 S 4.3272 8.3002 114.8228 61.6642 62.8991 176.3757 17 I 3.8017 8.2756 122.8944 64.8130 36.8485 177.8821 18 D 4.4237 8.7405 119.6621 57.5025 40.6213 178.9082 19 F 4.0634 8.0937 120.6661 61.7298 39.3647 176.8897 20 Y 3.8391 8.3833 116.5887 61.3760 37.6556 177.8069 21 T 4.6418 8.2315 112.5966 63.5654 68.9718 177.0065 22 K 3.8968 8.5100 123.3681 58.2644 32.7111 178.7267 23 V 3.7741 7.5104 116.4468 64.9777 31.8213 176.7926 24 L 4.0122 7.4631 116.8310 55.2802 41.6907 178.0866 25 G 3.9877 8.1550 107.0048 45.3884 0.0000 173.3307 26 M 4.2524 8.0279 120.3510 54.8225 33.9836 175.0453 27 K 4.8278 8.4591 118.1156 54.3931 36.1326 176.0735 28 L 4.3246 8.5565 126.0161 55.3651 41.7403 176.3266 29 L 4.4057 9.5879 129.4536 57.2700 42.4085 177.6074 30 R 4.6404 7.4850 112.0602 55.9363 31.9306 173.5848 31 T 5.9277 8.7370 109.4228 59.6057 72.3800 172.4988 32 S 4.8859 8.4316 115.2004 57.8129 66.3861 173.0177 33 E 5.1398 8.6582 117.7441 54.8429 32.7103 174.0283 34 N 4.7617 8.5292 122.1956 51.0909 40.5191 173.2279 35 P 4.2874 0.0000 0.0000 65.6284 32.1065 177.4641 36 E 3.7732 8.2212 118.7428 59.1472 29.3850 177.1255 37 Y 4.2368 8.6174 113.2185 57.3926 39.3029 175.3947 38 K 2.0000 7.1964 119.8001 56.0994 29.6045 173.0981 39 Y 4.9083 5.3700 116.6896 55.6307 42.5684 175.6103 40 S 5.3597 9.7828 115.7589 57.0079 67.3046 173.3571 41 L 5.4383 9.3238 123.1392 53.0312 45.7272 175.4409 42 A 5.1966 8.4981 122.3357 50.6025 22.6523 174.9203 43 F 5.0644 9.9658 122.5918 55.9799 41.2343 175.5099 44 V 5.0162 7.6455 116.7797 58.7653 35.2642 174.9882 45 G 4.0752 7.9899 109.0001 46.3125 0.0000 173.2425 46 Y 4.6292 8.6950 116.0639 57.9347 38.1383 175.4158 47 G 4.1497 7.3179 107.3856 43.9968 0.0000 171.5013 48 P 4.4537 0.0000 0.0000 61.9455 31.9069 177.7460 49 E 4.0889 8.8608 121.1273 59.8310 29.4493 178.8675 50 T 4.1138 7.8370 106.9592 63.3002 69.4556 175.0319 51 E 4.3878 8.3706 121.4268 57.4495 30.6383 175.0724 52 E 4.6506 7.6230 114.7461 54.7320 33.7063 173.7532 53 A 4.7826 8.4071 120.8267 52.2325 19.9630 177.4241 54 V 4.6064 8.7436 113.9441 59.8007 36.6538 173.9356 55 I 4.8538 8.7393 121.1162 59.9015 40.4384 174.7026 56 E 3.8614 8.8092 128.5578 54.4742 31.0266 174.5695 57 L 4.7173 8.4158 128.8321 53.9561 43.3524 175.8308 58 T 4.8685 8.9017 121.8409 61.8809 71.0271 172.9062 59 Y 5.1023 9.2893 128.5587 55.9897 41.1891 174.1420 60 N 4.9859 8.2478 126.1721 51.5935 39.9552 175.1937 61 W 4.1655 7.8764 123.8315 58.6266 29.5307 177.0943 62 G 3.9233 8.6407 110.9282 45.4362 0.0000 173.1648 63 V 4.1113 7.7587 120.5486 61.2687 31.9096 174.8105 64 D 5.3977 8.3934 124.6969 52.0171 40.1847 175.2358 65 K 4.4777 7.1917 119.2184 55.6835 34.9981 173.8123 66 Y 4.6735 8.2793 121.5164 56.2883 41.9089 174.3422 67 E 4.5307 8.5204 119.6444 54.6231 30.1663 176.9013 68 L 3.6598 8.6452 127.2221 56.0852 42.3126 178.3485 69 G 3.9863 7.3325 104.9806 45.0742 0.0000 172.7331 70 T 4.4147 8.2624 105.9867 61.4634 69.8756 175.5811 71 A 4.0804 8.0122 125.2799 55.2376 18.8820 177.2069 72 Y 4.1843 8.1139 115.3513 58.1468 38.6229 175.3389 73 G 3.4215 7.1851 117.5793 45.3765 0.0000 174.7869 74 H 4.4508 6.1897 115.8930 54.6526 31.8727 172.9843 75 I 4.7296 8.0602 118.2744 59.6108 39.9572 174.8565 76 A 5.1646 8.7429 128.0010 50.3812 20.8899 175.9976 77 L 5.0283 8.9981 121.9400 52.7882 45.6163 176.1494 78 S 4.9965 8.5411 116.5555 57.9949 64.6512 173.6479 79 V 4.4392 8.3646 113.8807 60.0348 35.6111 176.4325 80 D 4.2659 8.7572 122.3785 56.5418 41.3517 176.8633 81 N 4.8901 7.6936 116.7958 50.5189 40.5169 173.9854 82 A 3.9454 8.9109 129.9875 54.9180 18.6398 178.8954 83 A 3.9209 7.9360 118.6542 55.2765 18.5094 179.2761 84 E 3.8418 8.2557 117.0584 59.4027 29.7908 178.6047 85 A 3.9712 8.1257 120.8017 55.3251 18.3355 179.2887 86 C 4.0573 8.2232 115.1486 63.0885 28.3696 176.2604 87 E 3.9502 7.9721 119.4745 59.2058 28.8504 179.1435 88 K 3.8600 7.8740 118.2158 59.6777 32.4603 178.3746 89 I 3.9806 8.1595 120.4089 64.5813 36.9315 178.6632 90 R 4.0956 8.2572 115.5944 58.9114 29.1460 177.7337 91 Q 4.5073 7.7303 115.4663 55.4283 30.4014 175.3615 92 N 4.9857 8.1851 117.0540 51.9004 39.0923 175.1744 93 G 3.9180 8.4058 106.8197 45.1086 0.0000 171.7434 94 G 4.3275 7.5648 106.1355 44.8103 0.0000 172.0846 95 N 5.0851 8.4749 116.5484 52.2411 42.8162 173.9416 96 V 4.4957 8.5237 126.4650 62.3731 31.8977 175.1998 97 T 4.4092 8.9553 118.5646 62.4226 70.9392 174.5636 98 R 4.5014 7.8751 121.3408 54.0191 32.5896 174.1160 99 E 4.3562 9.0997 125.3990 56.5353 30.3253 177.3067 100 A 4.3133 8.8313 124.2112 51.6625 19.2302 177.2584 101 G 4.2119 8.3085 110.5493 45.1261 0.0000 170.4129 102 P 5.4944 0.0000 0.0000 62.3171 32.2217 176.6289 103 V 3.9392 8.2721 114.3868 60.2159 32.5521 175.7721 104 K 3.9243 8.6647 123.8896 58.3821 32.1128 176.4291 105 G 3.8975 9.5531 113.9104 46.0287 0.0000 172.7704 106 G 4.1803 8.1161 107.2094 44.7539 0.0000 173.5397 107 T 4.4311 8.1368 107.2788 61.6237 70.6240 174.8072 108 T 3.9549 7.7713 120.4456 63.8098 69.5347 173.4140 109 V 4.5072 8.4516 127.2079 62.4468 33.0809 174.6977 110 I 5.2122 8.8311 119.8645 59.8745 41.4916 173.3616 111 A 5.1523 8.8435 123.7555 50.7531 23.4382 174.9143 112 F 4.9924 8.9894 116.8852 55.9217 42.7569 175.1822 113 V 5.2275 8.9817 115.5232 59.7469 36.8575 173.9338 114 E 5.3382 9.3701 120.4864 54.7887 33.1621 176.9860 115 D 4.1663 8.9635 123.8924 51.6515 41.0898 175.0760 116 P 4.2240 0.0000 0.0000 64.8333 31.2094 177.0774 117 D 4.5953 8.3477 115.5213 53.9547 40.9862 177.1957 118 G 3.9027 8.1269 108.4344 44.9248 0.0000 173.5869 119 Y 4.5005 8.4536 119.4488 57.8069 38.8518 175.7197 120 K 4.8454 9.1733 124.2952 56.6550 33.7567 175.9433 121 I 4.9208 9.1961 125.3538 59.5450 40.9073 173.9233 122 E 3.8640 9.0337 128.6354 54.6491 31.3565 174.5005 123 L 5.0185 8.6842 127.3382 53.1800 44.1544 175.2978 124 I 4.7119 8.3225 125.4498 59.1660 39.5917 174.7846 125 E 4.7024 9.0350 130.0214 56.2199 29.5342 176.3772 126 E 4.1047 8.8421 124.8259 57.1146 30.9956 177.1652 *134 G 3.7977 7.8557 108.8941 44.6335 0.0000 172.3292 135 N 4.4412 8.4871 122.4396 52.9602 37.0324 174.4194 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 M 8.29 4.45 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.81 4.21 0.00 1.95 1.86 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 3 L 9.12 4.19 0.00 1.63 1.64 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.55 4.37 0.00 1.54 1.70 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.47 5.21 0.00 3.21 3.34 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.56 4.57 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 1.14 0.00 0.00 7 M 8.56 4.74 0.00 1.87 2.00 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 2.34 2.38 0.00 8 L 8.64 4.53 0.00 0.98 0.49 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.40 4.54 0.00 0.79 0.66 0.00 2.57 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.32 0.00 10 V 8.75 4.73 2.35 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 0.85 0.00 0.00 1.06 0.00 0.00 11 G 9.65 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 12 D 7.92 4.24 0.00 2.66 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 13 L 7.96 3.92 0.00 1.63 1.50 0.99 0.80 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 14 Q 7.93 4.07 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 15 R 8.80 3.92 0.00 1.94 2.11 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 16 S 8.30 4.33 0.00 4.04 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 17 I 8.28 3.80 2.04 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 1.56 0.78 0.95 0.00 0.00 18 D 8.74 4.42 0.00 2.71 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 19 F 8.09 4.06 0.00 3.11 3.13 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 20 Y 8.38 3.84 0.00 3.29 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 21 T 8.23 4.64 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 1.27 0.00 0.00 22 K 8.51 3.90 0.00 1.91 1.91 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.46 7.81 23 V 7.51 3.77 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 0.44 0.00 0.00 0.91 0.00 0.00 24 L 7.46 4.01 0.00 1.67 1.73 0.72 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.03 4.25 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.13 0.00 27 K 8.46 4.83 0.00 1.65 1.66 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.51 7.81 28 L 8.56 4.32 0.00 1.66 1.63 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.59 4.41 0.00 1.59 1.70 1.00 0.86 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 30 R 7.48 4.64 0.00 1.83 1.95 0.00 2.74 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.48 0.00 31 T 8.74 5.93 4.33 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 1.28 0.00 0.00 32 S 8.43 4.89 0.00 3.96 4.07 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 33 E 8.66 5.14 0.00 2.31 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 0.00 2.26 2.45 0.00 34 N 8.53 4.76 0.00 2.12 1.42 0.00 0.00 6.71 7.39 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 35 P 0.00 4.29 0.00 2.26 2.37 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 36 E 8.22 3.77 0.00 1.73 1.61 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 1.55 2.03 0.00 37 Y 8.62 4.24 0.00 3.23 3.14 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 38 K 7.20 2.00 0.00 1.66 1.35 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.32 7.81 39 Y 5.37 4.91 0.00 3.01 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 40 S 9.78 5.36 0.00 4.21 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 41 L 9.32 5.44 0.00 1.72 1.39 1.27 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.50 5.20 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.97 5.06 0.00 2.88 2.92 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 44 V 7.65 5.02 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 1.03 0.00 0.00 0.70 0.00 0.00 45 G 7.99 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 46 Y 8.70 4.63 0.00 3.02 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 47 G 7.32 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 0.00 0.00 0.00 0.00 48 P 0.00 4.45 0.00 2.11 1.97 0.00 4.04 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 49 E 8.86 4.09 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 2.30 2.25 0.00 50 T 7.84 4.11 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 51 E 8.37 4.39 0.00 2.07 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 2.27 2.26 0.00 52 E 7.62 4.65 0.00 1.93 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 2.24 2.29 0.00 53 A 8.41 4.78 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 54 V 8.74 4.61 2.28 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 0.87 0.00 0.00 1.12 0.00 0.00 55 I 8.74 4.85 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.62 0.59 0.00 0.00 56 E 8.81 3.86 0.00 1.16 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 1.72 1.47 0.00 57 L 8.42 4.72 0.00 1.57 1.51 0.83 0.05 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 58 T 8.90 4.87 4.07 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 1.05 0.00 0.00 59 Y 9.29 5.10 0.00 3.10 3.12 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 60 N 8.25 4.99 0.00 2.90 2.69 0.00 0.00 6.57 7.55 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 61 W 7.88 4.17 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 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 63 V 7.76 4.11 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 0.35 0.00 0.00 0.90 0.00 0.00 64 D 8.39 5.40 0.00 2.97 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 65 K 7.19 4.48 0.00 1.62 1.55 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.46 7.81 66 Y 8.28 4.67 0.00 2.90 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 67 E 8.52 4.53 0.00 2.05 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 2.30 0.00 68 L 8.65 3.66 0.00 1.47 1.69 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.33 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.26 4.41 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 71 A 8.01 4.08 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 72 Y 8.11 4.18 0.00 2.96 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 73 G 7.19 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 0.00 0.00 0.00 74 H 6.19 4.45 0.00 3.31 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.06 4.73 2.04 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 1.28 1.07 1.02 0.00 0.00 76 A 8.74 5.16 1.28 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 0.00 0.00 77 L 9.00 5.03 0.00 1.59 1.67 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.54 5.00 0.00 3.80 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 79 V 8.36 4.44 2.04 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 0.66 0.00 0.00 0.94 0.00 0.00 80 D 8.76 4.27 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 81 N 7.69 4.89 0.00 2.70 2.62 0.00 0.00 7.08 7.70 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 82 A 8.91 3.95 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 83 A 7.94 3.92 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 84 E 8.26 3.84 0.00 2.15 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 2.36 2.37 0.00 85 A 8.13 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 86 C 8.22 4.06 0.00 3.19 3.02 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 87 E 7.97 3.95 0.00 2.11 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 2.53 2.47 0.00 88 K 7.87 3.86 0.00 1.88 1.95 0.00 1.89 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 89 I 8.16 3.98 2.12 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 1.54 0.56 1.16 0.00 0.00 90 R 8.26 4.10 0.00 1.96 2.14 0.00 3.28 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 91 Q 7.73 4.51 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.37 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 92 N 8.19 4.99 0.00 2.76 2.78 0.00 0.00 7.05 8.23 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 93 G 8.41 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 94 G 7.56 4.33 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 0.00 95 N 8.47 5.09 0.00 2.84 2.61 0.00 0.00 7.23 7.22 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 96 V 8.52 4.50 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 0.96 0.00 0.00 0.99 0.00 0.00 97 T 8.96 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 1.29 0.00 0.00 98 R 7.88 4.50 0.00 1.91 2.13 0.00 3.56 0.00 0.00 3.43 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 99 E 9.10 4.36 0.00 1.91 1.92 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 2.35 2.32 0.00 100 A 8.83 4.31 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 0.00 101 G 8.31 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 0.00 0.00 0.00 0.00 102 P 0.00 5.49 0.00 2.19 2.09 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 103 V 8.27 3.94 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 0.82 0.00 0.00 1.00 0.00 0.00 104 K 8.66 3.92 0.00 1.72 1.77 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 G 9.55 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 0.00 106 G 8.12 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.14 4.43 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 0.00 108 T 7.77 3.95 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 1.20 0.00 0.00 109 V 8.45 4.51 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 1.11 0.00 0.00 1.00 0.00 0.00 110 I 8.83 5.21 1.85 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 1.20 0.52 0.89 0.00 0.00 111 A 8.84 5.15 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 0.00 112 F 8.99 4.99 0.00 3.07 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 0.00 113 V 8.98 5.23 2.28 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 0.78 0.00 0.00 1.11 0.00 0.00 114 E 9.37 5.34 0.00 1.83 1.80 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 2.40 2.29 0.00 115 D 8.96 4.17 0.00 2.12 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 0.00 116 P 0.00 4.22 0.00 1.99 2.05 0.00 3.05 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 117 D 8.35 4.60 0.00 2.76 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 0.00 118 G 8.13 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 0.00 119 Y 8.45 4.50 0.00 3.41 3.06 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 0.00 120 K 9.17 4.85 0.00 2.06 2.00 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.59 7.81 121 I 9.20 4.92 2.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 1.04 0.00 0.00 122 E 9.03 3.86 0.00 1.16 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 1.78 1.47 0.00 123 L 8.68 5.02 0.00 1.50 1.50 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.32 4.71 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.93 0.88 0.00 0.00 125 E 9.03 4.70 0.00 2.04 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 2.30 2.23 0.00 126 E 8.84 4.10 0.00 1.99 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 2.39 2.22 0.00 *134 G 7.86 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 0.00 135 N 8.49 4.44 0.00 2.84 2.84 0.00 0.00 6.11 7.56 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 * Residues marked with a * may have inaccurate shift predictions.