NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.2127 0.0000 0.0000 61.4416 33.0116 176.0456 9 K 3.8068 7.0921 116.0849 55.8191 33.5540 173.3981 10 F 4.3729 8.7332 125.7574 58.5295 40.9389 175.7751 11 L 4.5382 7.1218 119.1648 52.1990 44.8818 174.5859 12 N 4.2457 8.6242 123.0707 53.2863 40.2418 175.6951 13 K 3.7701 8.7941 127.9670 59.9656 32.1986 178.5610 14 A 3.9957 7.9213 120.5520 54.7845 18.2940 179.7543 15 F 4.1636 7.5965 116.0090 60.6742 38.9540 177.0352 16 E 4.2798 8.4961 119.3259 59.7490 29.3071 179.2090 17 V 3.6228 8.1554 117.8540 65.9039 31.5551 177.8512 18 A 4.0831 8.0853 120.1582 55.5424 18.2362 179.0012 19 L 4.1035 8.2149 117.4403 57.7284 41.6641 179.4839 20 K 3.9771 8.9193 118.0832 59.8867 32.2856 179.5894 21 V 3.5867 8.1414 118.3177 66.3245 31.6584 178.2250 22 Q 4.0644 8.5702 118.1569 58.7667 28.5182 178.7647 23 I 3.5107 8.3291 121.3212 64.4035 37.0572 178.5946 24 I 3.5965 7.8275 120.4686 64.0593 36.7975 178.3223 25 A 4.1514 8.1709 121.9668 55.1254 18.1309 180.0064 26 G 3.5704 8.0172 103.8779 47.8672 0.0000 175.9537 27 F 4.4449 8.3121 120.3829 60.6274 38.8895 177.4222 28 D 4.4128 8.6731 118.7636 57.5732 40.6421 179.0666 29 R 4.0944 8.3926 118.7878 59.3453 29.9935 179.3576 30 G 3.7171 8.4078 105.6518 47.5947 0.0000 175.6219 31 L 3.8565 7.9128 122.6824 57.7766 42.1099 178.8470 32 V 3.6518 7.9552 118.4521 66.3478 31.1159 178.1616 33 K 4.0256 8.1162 117.8732 59.3088 31.8235 179.2416 34 W 4.1884 8.6007 128.8207 60.3379 30.5377 178.1401 35 L 3.9664 8.9443 119.6408 57.6692 40.8285 179.4314 36 R 3.8848 7.8099 117.2709 58.7237 29.9539 178.5666 37 V 3.7898 6.8571 116.6551 64.6727 32.0893 176.7890 38 H 4.5914 7.3300 111.7631 55.1182 29.6935 175.5297 39 G 3.7746 8.0621 108.4507 45.1188 0.0000 175.6175 40 R 3.8312 7.8149 121.4780 59.7059 29.8862 176.9658 41 T 4.4258 7.7007 103.7885 61.3028 69.0919 174.1651 42 L 4.5404 7.6826 122.6071 54.3990 42.7586 177.6034 43 S 4.5206 9.7863 119.6528 57.7295 65.4181 175.7705 44 T 3.8721 8.2615 112.4828 65.0048 68.5444 176.9507 45 V 3.4340 7.6781 121.5988 64.2689 31.3491 178.2417 46 Q 4.0103 7.9588 118.9539 58.6606 28.4992 178.7063 47 K 4.0340 7.9084 119.4837 59.3272 32.1116 179.5730 48 K 4.0162 7.9222 118.6562 59.3619 31.7772 179.2114 49 A 4.2784 7.8393 121.0103 55.2778 18.2614 179.7252 50 L 4.0157 7.7425 117.5961 58.0456 41.3059 179.2584 51 Y 4.0324 8.1347 116.9228 60.7683 37.7442 178.2914 52 F 4.4501 8.5304 123.1561 60.7921 39.5053 177.0235 53 V 3.5352 8.3594 118.3399 66.3015 31.2058 177.4667 54 N 4.3878 8.1411 115.7922 56.7876 38.6206 177.6177 55 R 3.9610 7.6992 118.7936 59.0966 30.0309 179.1301 56 R 4.2101 7.9661 120.1814 59.0013 29.8126 177.8195 57 Y 3.8449 8.0528 118.5398 60.8166 39.0018 177.5107 58 M 4.6181 8.3821 118.9846 59.1141 32.4502 178.1952 59 Q 3.9678 8.0065 118.0373 58.9696 28.6965 178.2794 60 T 4.2411 7.8833 108.0416 62.7572 69.4026 174.6928 61 H 4.3683 7.5820 117.9271 54.6537 30.1195 174.9083 62 W 4.2618 7.6890 128.9221 60.8685 30.1688 177.3533 63 A 3.8855 8.0827 119.5701 55.4194 17.4756 179.0784 64 N 4.2191 7.8746 113.9882 56.7577 38.6161 176.8394 65 Y 4.5527 7.5836 118.0378 61.6742 37.9991 178.7635 66 M 3.9131 8.0566 119.6383 58.4772 31.9486 178.7241 67 L 4.0727 7.7217 119.0258 57.6052 41.8010 179.5457 68 W 4.1576 7.9777 127.9989 60.4297 30.6656 178.1755 69 I 3.2302 8.1113 119.9293 64.3244 36.4831 177.9526 70 N 4.2250 8.5551 117.5427 56.3446 38.1757 177.3780 71 K 3.7992 7.3937 117.9730 59.5293 32.5377 179.1518 72 K 3.7932 7.4329 118.3652 59.4737 31.7379 179.5748 73 I 3.5524 8.0247 120.3462 64.0341 36.7626 177.3503 74 D 4.6194 8.0618 116.9184 54.9335 40.9421 177.2405 75 A 4.4205 7.4182 120.4601 52.4777 19.6325 178.3918 76 L 3.8493 7.2210 117.7429 56.6389 41.7183 178.7567 77 G 3.9456 9.3457 104.3665 45.0164 0.0000 172.1752 78 R 4.6776 7.1138 114.3151 54.1928 32.7380 174.5360 79 T 4.1037 8.1985 108.4869 60.7452 69.4133 172.7033 80 P 4.6067 0.0000 0.0000 62.5944 32.5104 175.5091 81 V 4.7312 8.3196 112.1011 58.6603 35.3387 177.2723 82 V 3.9195 8.8222 121.3605 65.4354 30.9308 178.7218 83 G 3.6332 8.1952 105.5003 47.6548 0.0000 175.2002 84 D 4.3034 8.3059 121.2842 57.0605 40.6139 178.2092 85 Y 3.9535 7.6874 116.8709 60.7236 38.2427 177.5298 86 T 3.9305 8.2322 116.9888 66.8307 68.7134 176.5023 87 R 3.8717 7.8504 119.7453 59.3740 30.1254 178.5077 88 L 4.1525 7.9636 118.9266 57.9128 41.6655 179.8360 89 G 3.6254 8.4855 105.5986 47.7117 0.0000 175.5905 90 A 4.0925 8.1145 122.8829 54.6594 18.3697 179.6619 91 E 3.8985 8.0436 117.0968 59.7292 29.6501 179.4281 92 I 3.5136 7.9156 119.9623 64.3342 36.8899 178.5138 93 G 3.7792 7.8791 105.4746 47.5678 0.0000 175.0101 94 R 4.4034 7.9060 116.0667 57.2562 30.2978 178.2178 95 R 4.1623 7.7678 117.6911 56.7190 30.6852 176.7185 96 I 3.8213 7.3210 120.0497 60.5229 37.7569 174.8103 97 D 4.5814 8.2775 124.4828 52.9881 41.8037 175.9424 98 M 3.6965 7.9273 125.6191 55.1300 32.1068 177.8615 99 A 3.7976 8.1270 123.1056 55.4284 18.5784 179.2349 100 Y 4.4033 7.8899 118.8137 60.1252 38.7035 177.8015 101 F 3.6787 7.9215 121.0862 61.4207 39.4189 176.5942 102 Y 3.9824 7.3121 116.1206 60.9663 36.9183 177.9422 103 D 4.6301 8.4112 120.2825 57.7754 40.9760 179.0010 104 F 4.0091 7.9113 120.8709 61.0087 39.1987 177.2073 105 L 3.7069 7.4661 118.7669 57.4886 41.4885 179.0907 106 K 3.8806 7.8966 119.5051 59.6892 31.9449 177.8692 107 D 4.3354 7.9875 116.9446 57.4100 41.2344 177.9738 108 K 3.9953 7.5583 115.0022 55.4303 32.5130 176.0748 109 N 4.2549 7.9454 116.7986 55.4298 37.6249 173.8043 110 M 4.7612 8.3143 112.8362 54.3415 33.2502 176.3178 111 I 3.7254 8.0582 119.6525 61.0230 37.6382 174.4654 112 P 4.4412 0.0000 0.0000 62.0842 31.8688 176.1216 113 K 3.8548 8.5257 121.5374 57.0018 32.6120 175.9654 114 Y 4.4881 8.6079 126.5868 56.9415 38.3327 174.1551 115 L 4.7155 7.6721 126.9883 52.0177 44.7471 175.9239 116 P 4.0345 0.0000 0.0000 66.3163 31.1213 178.2327 117 Y 4.0150 7.9201 117.3402 60.9734 38.5592 178.0155 118 M 3.2043 7.6519 119.6169 57.8076 31.8843 178.2220 119 E 3.9939 7.2856 120.2775 58.5021 29.8052 178.1627 120 E 3.8116 8.0066 119.2309 59.5705 29.4707 178.9339 121 I 3.6291 7.2979 118.2179 64.4565 37.4818 177.9520 122 N 4.6140 8.5032 117.7281 56.3099 38.1959 177.5623 123 R 4.1825 8.2563 118.6721 57.7242 30.4477 177.0614 124 M 4.2619 7.1155 117.7803 54.9099 32.8501 176.1922 125 R 4.1399 8.2957 119.5249 55.4409 31.1727 176.0800 126 P 4.2676 0.0000 0.0000 66.1023 31.0650 178.6859 127 A 4.0785 8.0176 117.7007 54.5762 18.4101 178.2239 128 D 4.6279 8.1640 115.3558 53.4481 41.6705 177.1222 129 V 3.6379 7.0037 120.9053 62.0808 32.0019 174.0443 130 P 4.4223 0.0000 0.0000 62.5807 31.9866 175.9637 131 V 4.1082 7.5689 112.7637 59.4795 35.4184 174.7672 132 K 4.5311 7.9266 120.9103 54.8742 34.0589 176.4102 133 Y 4.2042 8.6898 121.8215 60.1103 38.3513 175.9373 134 M 4.3178 7.8461 116.1090 56.5668 34.5576 175.0757 *135 G 3.7389 8.0331 110.2062 45.7557 0.0000 172.1985 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 8 P 0.00 4.21 0.00 2.09 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 9 K 7.09 3.81 0.00 1.59 1.52 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.40 7.81 10 F 8.73 4.37 0.00 1.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.12 4.54 0.00 1.65 1.57 1.06 1.30 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 12 N 8.62 4.25 0.00 2.38 1.61 0.00 0.00 6.71 7.44 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 13 K 8.79 3.77 0.00 1.87 1.76 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.23 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.59 7.81 14 A 7.92 4.00 1.21 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 15 F 7.60 4.16 0.00 2.78 1.48 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 16 E 8.50 4.28 0.00 2.29 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 2.44 2.74 0.00 17 V 8.16 3.62 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.01 0.00 0.00 18 A 8.09 4.08 1.49 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 0.00 0.00 19 L 8.21 4.10 0.00 2.40 2.11 1.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.92 3.98 0.00 1.81 1.86 0.00 1.41 0.00 0.00 1.10 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.91 7.81 21 V 8.14 3.59 2.32 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 1.06 0.00 0.00 1.01 0.00 0.00 22 Q 8.57 4.06 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 23 I 8.33 3.51 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.17 0.00 0.00 24 I 7.83 3.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.62 1.02 0.00 0.00 25 A 8.17 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.02 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.44 0.00 3.07 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 28 D 8.67 4.41 0.00 3.11 2.98 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 29 R 8.39 4.09 0.00 2.17 2.05 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 30 G 8.41 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 31 L 7.91 3.86 0.00 1.53 1.57 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.96 3.65 2.32 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 1.04 0.00 0.00 1.11 0.00 0.00 33 K 8.12 4.03 0.00 2.11 1.93 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 34 W 8.60 4.19 0.00 3.60 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.94 3.97 0.00 1.90 1.74 0.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.81 3.88 0.00 1.94 1.97 0.00 3.15 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 37 V 6.86 3.79 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 0.36 0.00 0.00 0.86 0.00 0.00 38 H 7.33 4.59 0.00 1.40 2.57 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.06 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.81 3.83 0.00 1.71 1.95 0.00 3.19 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 41 T 7.70 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 1.19 0.00 0.00 42 L 7.68 4.54 0.00 1.91 1.67 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.79 4.52 0.00 3.98 4.01 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 0.00 0.00 0.00 44 T 8.26 3.87 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 V 7.68 3.43 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 0.86 0.00 0.00 0.92 0.00 0.00 46 Q 7.96 4.01 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 47 K 7.91 4.03 0.00 2.08 1.99 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.65 7.81 48 K 7.92 4.02 0.00 1.19 1.08 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.51 7.81 49 A 7.84 4.28 1.49 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 0.00 0.00 50 L 7.74 4.02 0.00 1.63 1.28 0.54 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.13 4.03 0.00 3.24 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 52 F 8.53 4.45 0.00 3.35 3.47 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 53 V 8.36 3.54 2.32 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 1.02 0.00 0.00 1.22 0.00 0.00 54 N 8.14 4.39 0.00 3.14 3.14 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 55 R 7.70 3.96 0.00 1.86 1.89 0.00 3.49 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 56 R 7.97 4.21 0.00 0.99 1.75 0.00 3.19 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 57 Y 8.05 3.84 0.00 2.85 3.08 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 58 M 8.38 4.62 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.83 0.00 59 Q 8.01 3.97 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 60 T 7.88 4.24 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 1.13 0.00 0.00 61 H 7.58 4.37 0.00 2.74 2.43 0.00 5.84 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.69 4.26 0.00 3.38 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 63 A 8.08 3.89 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 64 N 7.87 4.22 0.00 2.69 2.83 0.00 0.00 7.10 7.48 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 65 Y 7.58 4.55 0.00 2.84 2.81 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 66 M 8.06 3.91 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.78 0.00 67 L 7.72 4.07 0.00 1.91 1.79 0.94 0.93 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 68 W 7.98 4.16 0.00 3.40 3.46 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 69 I 8.11 3.23 1.97 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 1.52 0.85 0.87 0.00 0.00 70 N 8.56 4.22 0.00 2.77 2.88 0.00 0.00 7.08 8.19 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 71 K 7.39 3.80 0.00 1.83 1.68 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 72 K 7.43 3.79 0.00 1.31 1.38 0.00 1.15 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.37 0.21 7.81 73 I 8.02 3.55 1.88 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.65 0.83 0.00 0.00 74 D 8.06 4.62 0.00 2.57 2.66 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 0.00 0.00 0.00 0.00 75 A 7.42 4.42 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 76 L 7.22 3.85 0.00 1.61 1.67 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 77 G 9.35 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 78 R 7.11 4.68 0.00 1.85 1.86 0.00 3.02 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 79 T 8.20 4.10 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 1.23 0.00 0.00 80 P 0.00 4.61 0.00 2.07 1.91 0.00 3.78 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 2.11 2.03 0.00 81 V 8.32 4.73 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 0.85 0.00 0.00 1.00 0.00 0.00 82 V 8.82 3.92 2.38 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 0.91 0.00 0.00 1.11 0.00 0.00 83 G 8.20 3.63 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 0.00 0.00 0.00 84 D 8.31 4.30 0.00 2.41 2.34 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 85 Y 7.69 3.95 0.00 3.11 3.05 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 0.00 0.00 0.00 86 T 8.23 3.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 87 R 7.85 3.87 0.00 1.94 2.11 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 88 L 7.96 4.15 0.00 1.92 1.73 0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.49 3.63 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 0.00 0.00 0.00 90 A 8.11 4.09 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 91 E 8.04 3.90 0.00 2.42 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 2.40 2.60 0.00 92 I 7.92 3.51 1.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.92 0.22 0.00 0.00 93 G 7.88 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 94 R 7.91 4.40 0.00 2.01 2.09 0.00 3.07 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 95 R 7.77 4.16 0.00 1.81 1.90 0.00 3.10 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 96 I 7.32 3.82 1.70 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 1.47 0.96 0.59 0.00 0.00 97 D 8.28 4.58 0.00 2.52 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.93 3.70 0.00 0.58 1.16 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 99 A 8.13 3.80 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.89 4.40 0.00 3.04 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 0.00 101 F 7.92 3.68 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.31 3.98 0.00 1.70 1.43 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 0.00 103 D 8.41 4.63 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 7.91 4.01 0.00 2.32 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.47 3.71 0.00 1.61 1.72 1.02 0.60 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 0.00 106 K 7.90 3.88 0.00 2.14 2.13 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.58 7.81 107 D 7.99 4.34 0.00 2.80 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 0.00 108 K 7.56 4.00 0.00 1.33 1.49 0.00 1.62 0.00 0.00 1.22 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.61 0.21 7.81 109 N 7.95 4.25 0.00 2.79 2.82 0.00 0.00 6.90 6.93 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 0.00 110 M 8.31 4.76 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.72 0.00 111 I 8.06 3.73 1.89 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 1.48 0.47 0.98 0.00 0.00 112 P 0.00 4.44 0.00 2.30 2.18 0.00 3.90 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 2.19 2.17 0.00 113 K 8.53 3.85 0.00 1.77 1.79 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 114 Y 8.61 4.49 0.00 2.99 2.86 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 0.00 115 L 7.67 4.72 0.00 1.59 1.44 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.03 0.00 2.11 2.07 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 117 Y 7.92 4.02 0.00 2.99 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 0.00 118 M 7.65 3.20 0.00 1.26 1.51 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.95 0.00 119 E 7.29 3.99 0.00 1.59 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 2.35 2.25 0.00 120 E 8.01 3.81 0.00 1.98 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 2.14 2.29 0.00 121 I 7.30 3.63 1.97 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 0.73 0.73 1.01 0.00 0.00 122 N 8.50 4.61 0.00 3.21 2.98 0.00 0.00 7.02 8.03 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 0.00 123 R 8.26 4.18 0.00 1.72 1.98 0.00 3.33 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.79 0.00 124 M 7.12 4.26 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.46 0.00 125 R 8.30 4.14 0.00 2.03 1.85 0.00 3.16 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 126 P 0.00 4.27 0.00 2.16 2.14 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 127 A 8.02 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.16 4.63 0.00 2.72 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 0.00 129 V 7.00 3.64 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 0.66 0.00 0.00 0.90 0.00 0.00 130 P 0.00 4.42 0.00 2.03 1.92 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 131 V 7.57 4.11 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 0.00 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 132 K 7.93 4.53 0.00 1.64 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.32 7.81 133 Y 8.69 4.20 0.00 1.78 2.38 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 0.00 134 M 7.85 4.32 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 *135 G 8.03 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.