NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1823 8.3344 116.7928 57.8524 63.6591 173.4798 3 L 3.1204 8.4744 124.4724 56.8638 40.2779 172.5763 4 Q 4.6138 9.2774 126.8774 54.0772 31.6205 174.8494 5 I 4.3080 8.2460 123.8822 60.0574 38.5145 175.6701 6 V 4.4149 8.0843 124.2549 60.6066 33.9546 172.4142 7 P 4.3308 0.0000 0.0000 62.7180 31.8020 175.0080 8 Y 4.4250 8.5058 123.7451 55.6659 39.5657 174.5490 9 L 4.3858 8.1722 127.8399 54.2745 43.4987 175.8990 10 I 5.1103 8.2218 123.1751 59.7380 39.3428 174.9980 11 F 4.8858 9.3390 125.1217 55.3058 42.4868 174.9855 12 N 4.3855 8.1129 118.7102 51.1343 37.4133 174.4268 13 G 4.1089 8.4393 108.0568 44.9661 0.0000 171.9414 14 N 4.9092 7.7661 117.0761 52.7330 38.2820 176.9548 15 C 2.8860 8.7406 121.4017 63.3092 31.6006 173.7197 16 R 3.6467 7.7561 119.6997 59.7189 29.3942 177.4415 17 E 3.7438 7.9533 117.7146 59.4006 29.4755 178.6060 18 A 2.0000 6.6949 119.9436 54.4232 18.1423 179.5112 19 F 3.7682 7.8723 115.8990 61.2728 38.9395 177.3237 20 S 4.2351 8.3695 114.7558 61.5264 62.4695 175.8802 21 C 3.7553 8.3580 120.7739 63.1649 31.3818 176.0941 22 Y 4.3613 8.2611 118.6307 61.5136 37.4304 177.8078 23 H 4.1030 9.0474 120.3027 59.6766 29.7010 176.6130 24 Q 3.8625 8.1498 120.9231 59.6166 28.6948 178.0176 25 H 4.2539 8.0268 116.3345 58.7956 28.8793 177.0173 26 L 4.1809 8.1312 117.1087 54.5580 42.7936 179.2446 27 G 3.5244 7.6479 107.6802 44.0512 0.0000 175.0093 28 G 3.9031 8.5889 113.7924 45.6814 0.0000 170.9172 29 T 4.4960 8.2345 114.6108 61.8087 70.8292 174.1986 30 L 4.6129 8.4201 129.2253 54.1161 41.4323 175.7382 31 E 4.3872 8.5515 124.1091 55.4844 31.1672 173.8578 32 A 3.3693 8.4182 128.3644 51.4844 18.3275 176.4218 *34 L 4.1492 8.2240 120.4129 54.1508 42.4012 175.1503 35 P 4.6469 0.0000 0.0000 61.7623 32.9326 177.1464 36 F 3.8757 9.1452 118.3305 60.5817 39.0894 178.1335 37 G 3.8793 7.9267 108.9586 48.7881 0.0000 173.7953 38 D 4.7370 7.4326 116.6231 53.5810 41.0072 176.9731 39 S 4.3697 8.0307 115.3214 57.8089 63.4502 171.5301 40 P 4.7460 0.0000 0.0000 62.4921 31.7716 175.0784 41 E 4.4897 7.7370 117.1472 56.0942 32.2472 171.9675 *46 P 3.9591 0.0000 0.0000 63.8447 32.5809 175.7671 47 A 3.5417 8.6717 123.2054 53.5081 15.5889 176.1935 48 D 4.4058 7.5877 123.9275 53.7385 40.8005 179.4797 *49 W 3.6399 8.7291 114.0610 58.1926 25.9271 171.8104 50 K 4.5488 7.4234 117.2453 55.7552 31.8996 175.6483 51 D 4.9035 8.0597 125.8405 52.3238 40.2599 175.6276 52 K 4.7679 7.7298 121.4353 55.2770 36.4096 176.3545 53 I 4.2839 8.8024 122.4156 61.0599 39.7126 174.4066 *55 H 4.9735 8.4563 121.7189 56.2763 30.4155 172.1809 56 A 4.8212 8.5907 126.8782 50.0844 21.9412 175.4573 57 R 4.8742 8.7085 116.9335 54.4502 33.0839 173.6458 58 L 5.1307 9.6248 126.2759 53.1531 44.6265 174.8728 59 V 4.7444 8.9977 127.0617 61.1088 34.2978 174.2817 60 V 4.4296 8.5621 128.2619 60.4882 33.8157 176.1182 61 G 3.8373 8.9491 120.0359 47.1813 0.0000 173.9114 62 S 4.4095 8.8522 118.9286 57.6210 63.5422 173.5021 63 F 4.6485 7.9170 120.5246 56.5376 40.7176 173.9522 64 A 5.2124 8.1944 122.2866 51.3336 22.6739 174.6563 65 L 4.8576 8.7816 117.9734 53.2233 46.7194 175.3658 *67 A 4.4499 8.5456 120.2632 52.7544 20.3759 175.3706 68 S 4.7548 7.9446 110.9155 57.6162 66.1638 173.9196 69 D 5.2836 9.1403 121.7260 53.9608 41.3049 176.5585 70 N 4.7557 8.8912 120.0574 52.8557 37.3694 174.7971 71 H 4.3321 8.7085 117.0272 55.5852 29.4333 175.1441 72 P 4.4321 0.0000 0.0000 64.9083 31.6187 177.6166 73 A 4.1192 8.2848 120.5998 55.5563 18.3428 177.2782 74 Y 4.1474 7.7851 109.8318 57.3127 38.4783 175.0728 75 P 4.5030 0.0000 0.0000 62.5593 32.1774 175.1570 76 Y 4.6338 8.6766 123.9439 56.5523 40.3179 175.2791 77 E 4.5151 8.3273 123.4194 53.5747 32.0323 173.8571 78 G 3.7552 8.1115 110.1328 44.9182 0.0000 171.6200 79 I 4.1189 8.0851 121.1408 59.9167 37.4444 173.7748 80 K 4.4153 7.9073 123.2150 57.8840 35.2253 178.0176 81 G 3.8828 7.6783 109.6195 45.4469 0.0000 172.6724 82 C 4.6554 7.5735 115.4870 58.2543 34.2843 172.6133 83 S 4.6150 8.2136 119.4369 56.8300 65.4194 173.3193 84 I 3.8961 7.7819 124.2816 60.8713 38.0542 174.7555 85 S 4.8517 8.6151 122.6998 57.3631 63.4750 172.9375 86 L 4.6004 8.6301 127.3227 53.5780 43.3278 175.0000 87 N 5.6446 8.7099 121.5143 51.5088 40.9925 174.1894 88 V 4.5255 8.6936 122.2603 60.5715 35.0089 175.6620 89 D 4.4651 8.7939 118.7546 55.6704 41.4602 176.6308 90 S 4.9232 7.6123 112.3691 55.9130 65.9840 174.6036 91 K 3.9069 8.3955 128.0799 59.0288 31.7974 179.3588 92 A 4.0095 8.2733 123.9592 55.7522 18.4203 179.8857 93 E 3.8446 8.1157 116.1540 61.2117 29.7153 180.3760 94 A 4.2569 8.4045 124.6938 55.9642 18.3839 179.9471 95 E 3.8831 7.9267 115.6760 61.3508 29.7627 181.3188 96 R 4.0303 8.6440 120.3783 59.4832 30.1738 178.6631 97 L 3.9264 8.2346 118.8987 57.5854 41.3741 179.1376 98 F 3.7144 8.8702 121.0375 61.2108 39.0275 177.0684 99 N 4.1820 7.9724 114.8219 56.0608 38.8743 177.1275 100 A 3.9314 7.7945 121.9965 55.2477 18.3255 179.7232 101 L 4.0550 7.3988 114.8504 56.8460 42.0423 178.1748 102 A 3.9964 7.0483 123.2292 53.2416 19.1613 177.8324 103 E 3.9823 7.3564 112.2399 57.3693 29.9572 182.9216 104 G 4.0201 8.7513 110.4409 45.3511 0.0000 173.5423 105 G 4.3571 7.8627 109.6615 44.3427 0.0000 177.4162 106 S 4.5997 8.5199 117.4177 57.3814 65.2562 173.8609 107 V 4.6727 8.7305 127.2235 61.5838 33.3024 175.1958 108 Q 4.5094 8.4380 121.3467 55.4298 30.5547 173.0203 *110 P 4.3753 0.0000 0.0000 61.9551 32.9377 175.7451 111 L 3.8682 7.8212 123.4079 55.0676 42.6109 176.0619 112 G 3.9251 8.2130 112.1681 45.2014 0.0000 170.6064 113 P 5.1306 0.0000 0.0000 62.2655 32.3064 175.8300 114 T 4.3008 7.6321 110.5059 60.1876 71.5087 173.9581 115 F 4.3655 8.3893 116.3711 58.9163 37.8859 175.9680 116 W 4.6930 7.0659 115.4164 55.8943 28.9168 175.4807 117 A 4.4895 7.0867 121.3705 50.8780 21.9307 176.8874 118 A 4.0167 8.4870 126.1287 55.3401 19.1292 178.2598 119 S 4.8598 7.6200 112.2813 57.2155 67.1914 174.2558 120 F 5.3093 7.5120 120.0798 58.9966 43.1215 173.7816 121 G 4.1126 6.6650 109.4574 46.0697 0.0000 170.7448 *123 F 5.2042 8.1994 114.8440 57.4349 40.0898 173.5370 124 T 5.1259 8.7410 114.7068 62.3692 72.4287 174.0415 125 D 4.9027 9.9096 127.0934 53.4159 40.5433 178.0635 126 R 3.3274 8.1223 119.8175 59.1489 30.4711 176.7714 127 F 4.8239 8.3606 113.7341 57.3336 39.3685 176.2710 128 G 4.0828 9.4436 110.5160 45.0713 0.0000 173.4695 129 V 3.9476 8.8562 120.6907 60.8909 32.8429 174.5031 130 A 4.4631 8.1427 129.2868 51.6849 19.3314 175.6200 131 W 5.0907 7.8490 125.0459 54.4100 32.6743 174.9475 *133 V 4.1030 8.2198 120.5390 63.9501 32.7015 175.2679 134 N 5.7469 9.1120 125.1084 52.3866 42.9248 172.4977 135 C 5.4434 9.1200 126.7473 57.4736 36.0059 174.8996 136 E 4.8079 8.6162 119.1899 55.9779 31.5436 177.5897 137 Q 4.5849 8.3691 118.5545 57.2441 31.6568 177.9699 138 D 4.6139 6.0500 118.9013 53.8234 39.9028 178.8185 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.18 0.00 3.87 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 3 L 8.47 3.12 0.00 1.76 1.61 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.28 4.61 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 5 I 8.25 4.31 1.94 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 1.33 0.42 0.97 0.00 0.00 6 V 8.08 4.41 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 0.96 0.00 0.00 1.00 0.00 0.00 7 P 0.00 4.33 0.00 2.20 2.04 0.00 4.02 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 2.02 1.96 0.00 8 Y 8.51 4.42 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.17 4.39 0.00 1.75 1.20 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.22 5.11 1.98 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 1.54 0.80 1.12 0.00 0.00 11 F 9.34 4.89 0.00 3.04 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 12 N 8.11 4.39 0.00 1.44 2.32 0.00 0.00 7.45 7.86 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 13 G 8.44 4.11 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 0.00 0.00 0.00 14 N 7.77 4.91 0.00 2.89 3.07 0.00 0.00 5.92 7.68 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 15 C 8.74 2.89 0.00 2.97 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 16 R 7.76 3.65 0.00 1.79 1.80 0.00 3.19 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 1.61 1.62 0.00 17 E 7.95 3.74 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 2.45 2.41 0.00 18 A 6.69 2.00 -0.03 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 0.00 0.00 19 F 7.87 3.77 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.37 4.24 0.00 3.96 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 21 C 8.36 3.76 0.00 3.06 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 22 Y 8.26 4.36 0.00 2.94 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 23 H 9.05 4.10 0.00 3.21 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.15 3.86 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 25 H 8.03 4.25 0.00 3.17 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.13 4.18 0.00 1.74 1.66 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.65 3.52 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 0.00 28 G 8.59 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 29 T 8.23 4.50 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 30 L 8.42 4.61 0.00 1.33 1.47 0.81 0.99 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 31 E 8.55 4.39 0.00 1.95 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 2.34 2.41 0.00 32 A 8.42 3.37 1.33 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 *34 L 8.22 4.15 0.00 1.58 1.57 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.65 0.00 2.25 2.12 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 36 F 9.15 3.88 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.93 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 38 D 7.43 4.74 0.00 2.50 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 39 S 8.03 4.37 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.75 0.00 2.21 2.18 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 41 E 7.74 4.49 0.00 2.11 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 2.31 2.40 0.00 *46 P 0.00 3.96 0.00 2.16 2.11 0.00 4.01 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 47 A 8.67 3.54 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 48 D 7.59 4.41 0.00 2.61 2.62 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 *49 W 8.73 3.64 0.00 2.68 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 0.00 0.00 0.00 0.00 50 K 7.42 4.55 0.00 1.63 1.72 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.06 1.33 7.81 51 D 8.06 4.90 0.00 2.73 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 52 K 7.73 4.77 0.00 2.02 2.12 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.43 7.81 53 I 8.80 4.28 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.70 0.00 0.00 *55 H 8.46 4.97 0.00 3.18 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.59 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.71 4.87 0.00 1.92 1.98 0.00 2.85 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 58 L 9.62 5.13 0.00 1.56 1.30 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.00 4.74 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 0.98 0.00 0.00 1.07 0.00 0.00 60 V 8.56 4.43 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 0.95 0.00 0.00 0.95 0.00 0.00 61 G 8.95 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 62 S 8.85 4.41 0.00 3.68 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 63 F 7.92 4.65 0.00 3.48 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 64 A 8.19 5.21 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 65 L 8.78 4.86 0.00 1.40 1.70 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *67 A 8.55 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.94 4.75 0.00 4.08 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 69 D 9.14 5.28 0.00 2.73 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.89 4.76 0.00 2.84 2.98 0.00 0.00 6.97 8.50 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 71 H 8.71 4.33 0.00 3.10 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.43 0.00 2.02 2.07 0.00 3.65 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 73 A 8.28 4.12 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 74 Y 7.79 4.15 0.00 2.91 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 75 P 0.00 4.50 0.00 2.09 2.03 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 76 Y 8.68 4.63 0.00 2.87 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.33 4.52 0.00 2.01 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 2.15 1.85 0.00 78 G 8.11 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.09 4.12 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.75 0.00 0.00 80 K 7.91 4.42 0.00 1.63 1.65 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.31 7.81 81 G 7.68 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 82 C 7.57 4.66 0.00 2.81 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 83 S 8.21 4.62 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.78 3.90 1.10 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.35 0.93 0.00 0.00 85 S 8.62 4.85 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.63 4.60 0.00 1.68 1.57 0.67 0.79 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 87 N 8.71 5.64 0.00 2.54 2.74 0.00 0.00 6.89 7.68 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 88 V 8.69 4.53 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 0.81 0.00 0.00 0.94 0.00 0.00 89 D 8.79 4.47 0.00 2.77 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 90 S 7.61 4.92 0.00 3.85 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 91 K 8.40 3.91 0.00 2.03 1.77 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.33 7.81 92 A 8.27 4.01 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 93 E 8.12 3.84 0.00 1.99 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 0.00 2.32 1.96 0.00 94 A 8.40 4.26 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 95 E 7.93 3.88 0.00 1.97 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 2.25 2.21 0.00 96 R 8.64 4.03 0.00 1.81 2.03 0.00 3.05 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 97 L 8.23 3.93 0.00 1.72 1.64 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.87 3.71 0.00 3.10 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 99 N 7.97 4.18 0.00 2.99 2.79 0.00 0.00 7.03 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 0.00 100 A 7.79 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.40 4.06 0.00 1.73 1.85 0.18 0.81 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 0.00 102 A 7.05 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.36 3.98 0.00 2.04 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 0.00 2.27 2.15 0.00 104 G 8.75 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 0.00 0.00 0.00 105 G 7.86 4.36 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 0.00 106 S 8.52 4.60 0.00 3.90 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 0.00 107 V 8.73 4.67 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 1.04 0.00 0.00 0.98 0.00 0.00 108 Q 8.44 4.51 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 *110 P 0.00 4.38 0.00 1.95 2.04 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 111 L 7.82 3.87 0.00 0.27 0.98 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.21 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 0.00 113 P 0.00 5.13 0.00 1.86 1.90 0.00 3.66 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.85 0.00 114 T 7.63 4.30 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 0.38 0.00 0.00 115 F 8.39 4.37 0.00 3.19 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 7.07 4.69 0.00 3.19 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 0.00 117 A 7.09 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.49 4.02 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 0.00 119 S 7.62 4.86 0.00 3.38 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.51 5.31 0.00 3.07 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 0.00 121 G 6.66 4.11 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 0.00 0.00 0.00 *123 F 8.20 5.20 0.00 3.28 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 0.00 124 T 8.74 5.13 4.34 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 1.28 0.00 0.00 125 D 9.91 4.90 0.00 3.18 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 0.00 126 R 8.12 3.33 0.00 1.51 1.39 0.00 2.21 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.37 0.00 127 F 8.36 4.82 0.00 3.57 3.30 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 0.00 128 G 9.44 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 0.00 129 V 8.86 3.95 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 -0.06 0.00 0.00 0.94 0.00 0.00 130 A 8.14 4.46 1.14 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 0.00 0.00 131 W 7.85 5.09 0.00 1.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 V 8.22 4.10 2.25 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 nan 0.00 0.00 1.26 0.00 0.00 134 N 9.11 5.75 0.00 3.05 2.98 0.00 0.00 6.28 7.27 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 0.00 135 C 9.12 5.44 0.00 3.03 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 0.00 136 E 8.62 4.81 0.00 1.97 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 137 Q 8.37 4.58 0.00 2.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.03 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 138 D 6.05 4.61 0.00 2.43 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 * Residues marked with a * may have inaccurate shift predictions.