NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1312 8.2993 120.1131 55.2118 33.8054 175.9978 5 P 3.7877 0.0000 0.0000 61.6147 32.8953 175.7202 6 I 3.5254 7.5810 118.7567 64.0427 38.2281 179.3147 7 W 4.1494 7.7576 116.9804 59.4050 28.0490 178.1133 8 E 3.8781 7.3921 119.1575 58.9655 29.0045 178.9857 9 Q 3.8676 7.6644 117.7024 58.9434 28.7376 178.8607 10 I 3.5764 7.6029 120.7448 64.1716 37.0025 178.6763 11 G 3.5137 7.9583 106.4996 47.9913 0.0000 175.6764 12 S 4.1667 7.8861 118.2297 61.3623 62.7694 177.1851 13 S 4.0983 7.9582 117.5243 61.4833 62.5089 176.1727 14 F 4.0077 8.3769 123.7256 61.5246 39.0363 177.2376 15 I 3.3957 8.1741 112.6850 63.7708 37.2573 177.8037 16 Q 4.0060 8.1716 121.3463 59.3214 28.9165 177.7885 17 H 4.0867 8.2628 119.2730 59.4183 29.8763 176.2228 18 Y 3.5642 7.5102 121.4519 61.1194 38.5217 178.0335 19 Y 4.3501 8.0720 117.4155 60.7070 37.8164 178.2690 20 Q 4.0170 8.2303 120.8862 59.1123 28.7472 178.3202 21 L 3.8728 7.8243 119.8928 57.7057 41.4621 179.0087 22 F 3.7249 7.9999 119.4751 61.6763 39.3685 176.7547 23 D 4.8017 8.3745 116.2829 57.0244 40.7130 176.2267 24 N 5.0005 8.0816 114.6051 52.1754 41.0045 174.2811 25 D 4.6698 8.0134 127.9746 52.5083 42.0444 176.4528 26 R 4.0901 8.2165 120.2470 56.3466 29.7912 177.8280 27 T 4.0854 7.3585 107.4088 62.8994 69.1920 175.4793 28 Q 4.3038 7.7235 120.0423 56.0957 29.3807 177.3269 29 L 4.0636 7.6683 119.0102 56.6841 42.3106 179.1920 30 G 3.8011 8.3590 107.9150 48.4820 0.0000 175.4066 31 A 4.0390 7.5817 121.0253 54.4151 18.5226 178.0324 32 I 4.2737 7.6940 107.2245 60.9934 38.3119 174.8494 33 Y 5.2325 7.6496 118.6273 56.4894 40.5097 174.2814 34 I 4.6331 8.3920 114.8059 58.7613 40.5937 176.4100 35 D 4.3071 8.6974 119.0442 57.2354 40.6273 178.0087 36 A 4.4255 7.8503 119.3170 52.0838 19.1179 177.0886 37 S 4.6996 7.9454 115.0639 60.1152 64.4795 172.9798 38 C 5.1239 9.1467 121.6752 57.5592 34.9842 172.3739 39 L 5.4337 9.1425 127.4257 53.6789 45.0020 174.9020 40 T 4.9731 9.4183 123.6345 61.9267 70.8379 173.4026 41 W 4.9452 9.6329 135.0000 55.4579 32.2545 175.6832 42 K 3.5179 9.7879 130.0856 57.5739 29.2845 177.5981 43 G 3.9498 8.5978 105.5399 45.4789 0.0000 173.4553 44 Q 4.4630 8.1404 121.8426 54.1036 30.5389 173.6058 45 Q 4.8466 8.3592 126.7464 55.0732 30.4214 174.4161 46 F 4.6507 9.6752 125.7492 55.9157 41.5745 174.2225 47 Q 4.6893 9.0103 123.4372 55.2577 30.4533 176.8862 48 G 4.4407 9.1641 109.7560 45.6949 0.0000 173.8533 49 K 3.6734 8.8391 121.2683 59.5428 32.0907 178.8203 50 A 3.9420 8.0346 119.8897 55.2793 18.3095 179.3539 51 A 3.9613 7.8978 118.6420 55.1502 18.5508 179.7020 52 I 3.4139 7.6495 118.3258 64.5437 37.1623 178.8072 53 V 3.4291 7.9530 119.3390 65.7572 31.3317 177.4809 54 E 3.7466 7.9083 118.9013 59.1183 29.2602 178.5623 55 K 3.3886 7.3844 117.8610 59.5633 32.5601 178.4233 56 L 3.5513 7.2897 118.9507 57.6130 41.3019 179.7535 57 S 4.0672 8.0052 115.5318 60.9132 62.5397 175.9337 58 S 4.3460 7.4740 114.3701 57.7520 63.7269 174.5435 59 L 3.6465 6.5199 122.6557 54.8508 41.8030 175.7373 60 P 4.5008 0.0000 0.0000 62.8394 31.1778 175.7620 61 F 5.1168 6.1517 112.1684 55.9214 40.1788 175.4505 62 Q 4.4104 9.3894 120.1528 57.2803 29.7762 176.5308 63 K 4.7937 9.0158 117.3242 54.4878 35.0668 175.2758 64 I 4.9592 8.3720 123.4885 59.3426 41.5885 173.9775 65 Q 4.7446 8.8118 128.0479 54.9456 32.3672 173.3630 66 H 5.4177 9.4284 123.1402 54.2308 31.9721 173.7475 67 S 4.6203 9.2215 114.8776 56.8610 65.9002 172.6227 68 I 4.3256 8.3641 127.5848 60.8176 37.6068 175.6830 69 T 4.3213 8.7032 123.7437 65.4787 69.6321 175.2707 70 A 4.7973 7.5071 120.8413 50.6595 22.8808 175.4943 71 Q 4.8761 8.5611 118.5546 54.8744 31.6465 173.7848 72 D 5.0381 9.3035 124.2394 52.5557 44.1028 174.7413 73 H 5.5738 8.9110 119.4099 54.2779 32.2012 173.0483 74 Q 4.3690 9.2039 120.4001 53.5403 33.4198 172.4262 75 P 4.9671 0.0000 0.0000 62.4850 32.4393 175.3265 76 T 4.4659 8.3109 112.0144 59.3954 71.3032 173.8329 77 P 4.2977 0.0000 0.0000 65.2158 31.4305 176.9595 78 D 4.8176 7.9131 116.6550 54.5509 41.2105 176.4243 79 S 3.9665 7.7267 111.1812 59.9744 60.7963 170.6035 80 C 5.1746 8.1622 117.8056 58.3825 31.5215 172.6512 81 I 5.0645 8.6208 119.8217 59.7516 40.4028 174.9327 82 I 4.9194 8.8416 127.4862 59.7407 39.5364 174.6696 83 S 5.2775 9.1323 123.1872 56.8872 65.9371 172.7189 84 M 5.1449 9.4426 124.7191 53.6897 34.9819 174.2681 85 V 5.1111 9.2678 126.0488 60.9849 35.2522 174.3502 86 V 4.3946 8.5439 126.3341 60.1853 34.3457 174.9437 87 G 3.3835 7.3073 109.7537 45.7514 0.0000 171.3085 88 Q 5.3905 8.9873 118.9634 54.2817 33.6100 174.3243 89 L 5.2774 9.2781 122.0826 53.9654 44.9428 175.1901 90 K 4.6929 9.0427 120.5076 54.7571 35.5527 174.4703 91 A 4.8721 8.5338 129.1479 51.0925 21.3606 176.6661 92 D 4.1594 9.2034 123.5220 55.8602 41.1032 174.6180 93 E 4.6021 9.1163 124.2446 56.8819 30.2989 175.4077 94 D 4.6524 7.9870 119.7098 52.9659 41.5413 174.4457 95 P 4.4868 0.0000 0.0000 62.3432 32.0483 176.2376 96 I 4.0357 8.1807 120.5722 62.1358 37.6038 175.3977 97 M 4.8270 9.0395 125.9416 53.2651 35.6671 175.7096 98 G 4.2027 8.5929 109.2711 46.3536 0.0000 172.1778 99 F 5.2951 8.4979 114.8978 55.5366 42.0854 172.8099 100 H 5.2964 9.1818 116.7358 54.1328 32.2600 172.6123 101 Q 5.0357 9.2996 123.2853 54.7892 33.2048 173.0887 102 M 5.1874 8.7444 123.8776 53.8433 36.1610 173.6874 103 F 5.3904 9.2171 123.8623 55.5663 43.1497 173.5423 104 L 5.0692 9.0993 125.6688 53.4638 44.0646 174.9077 105 L 5.2551 9.1999 126.6991 53.0905 44.6759 175.5669 106 K 4.8846 9.0332 122.8554 54.7768 36.1761 174.7613 107 N 4.1073 7.9636 125.8769 52.7483 39.0029 174.1236 108 I 4.2929 7.9825 127.8112 60.4009 39.6636 175.9075 109 N 3.9574 9.3010 122.9222 54.7419 35.4570 174.9039 110 D 4.5783 8.5789 114.3962 54.3642 38.7363 173.7319 111 A 4.8752 7.3581 120.6764 49.7202 22.7146 175.6045 112 W 4.8434 8.9157 120.3976 56.2946 30.1053 176.2852 113 V 4.6708 8.8399 117.2366 59.5807 35.7780 173.8858 114 C 4.7598 9.2736 123.5611 58.8740 31.8232 173.1913 115 T 4.5659 9.2678 116.8258 62.7647 70.8334 174.4860 116 N 5.5692 8.1537 118.6889 51.2313 42.7747 173.2264 117 D 5.2017 9.3372 122.5289 53.0140 45.0171 173.7243 118 M 5.4204 9.0481 125.2832 53.5251 35.7507 174.4070 119 F 5.3167 9.3535 125.1261 56.5348 43.1800 173.7331 120 R 4.5285 8.0093 123.3968 54.3285 34.5999 174.4502 121 L 4.4595 8.0471 121.9777 53.9927 42.8815 176.5107 122 A 4.3064 8.5739 124.5945 51.7439 19.2719 177.0439 123 L 4.6027 8.3612 122.8244 53.6394 44.0254 177.2541 *124 H 4.3909 8.6455 117.5871 54.8973 27.9523 174.3226 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 4 K 8.30 4.13 0.00 1.65 1.64 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.36 7.81 5 P 0.00 3.79 0.00 0.49 1.04 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.65 0.00 6 I 7.58 3.53 1.83 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 1.70 1.28 1.06 0.00 0.00 7 W 7.76 4.15 0.00 3.49 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.39 3.88 0.00 1.92 1.93 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 2.51 2.17 0.00 9 Q 7.66 3.87 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 10 I 7.60 3.58 1.40 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 -0.19 0.00 0.00 11 G 7.96 3.51 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 0.00 12 S 7.89 4.17 0.00 3.86 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 13 S 7.96 4.10 0.00 3.90 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 14 F 8.38 4.01 0.00 3.09 3.15 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 15 I 8.17 3.40 2.20 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 1.80 0.57 1.03 0.00 0.00 16 Q 8.17 4.01 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 17 H 8.26 4.09 0.00 3.20 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.51 3.56 0.00 1.86 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 0.00 0.00 0.00 19 Y 8.07 4.35 0.00 3.17 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 20 Q 8.23 4.02 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 21 L 7.82 3.87 0.00 1.75 1.50 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.00 3.72 0.00 2.78 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 23 D 8.37 4.80 0.00 2.89 2.80 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 24 N 8.08 5.00 0.00 2.76 2.71 0.00 0.00 6.69 9.28 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 25 D 8.01 4.67 0.00 2.61 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 26 R 8.22 4.09 0.00 1.32 1.88 0.00 2.54 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.00 27 T 7.36 4.09 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 1.12 0.00 0.00 28 Q 7.72 4.30 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 29 L 7.67 4.06 0.00 1.71 1.76 0.32 0.42 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 30 G 8.36 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 31 A 7.58 4.04 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 32 I 7.69 4.27 2.06 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 0.69 0.00 0.00 33 Y 7.65 5.23 0.00 3.09 2.93 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 34 I 8.39 4.63 1.92 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 1.39 0.83 0.96 0.00 0.00 35 D 8.70 4.31 0.00 2.75 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 36 A 7.85 4.43 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 37 S 7.95 4.70 0.00 3.94 3.94 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 38 C 9.15 5.12 0.00 2.99 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 39 L 9.14 5.43 0.00 1.81 1.73 1.38 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.42 4.97 4.35 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 1.30 0.00 0.00 41 W 9.63 4.95 0.00 3.62 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 9.79 3.52 0.00 2.07 1.97 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.26 1.14 7.81 43 G 8.60 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 44 Q 8.14 4.46 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.83 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 45 Q 8.36 4.85 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 46 F 9.68 4.65 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 47 Q 9.01 4.69 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.54 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 48 G 9.16 4.44 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 0.00 49 K 8.84 3.67 0.00 2.03 1.85 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.37 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.63 7.81 50 A 8.03 3.94 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 51 A 7.90 3.96 1.46 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 0.00 0.00 52 I 7.65 3.41 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.21 0.00 0.00 53 V 7.95 3.43 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 0.91 0.00 0.00 0.99 0.00 0.00 54 E 7.91 3.75 0.00 2.11 2.07 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 2.25 2.25 0.00 55 K 7.38 3.39 0.00 0.84 1.31 0.00 1.19 0.00 0.00 0.87 0.00 0.00 2.89 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.54 7.81 56 L 7.29 3.55 0.00 1.38 1.10 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.01 4.07 0.00 3.72 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 58 S 7.47 4.35 0.00 3.91 3.94 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 59 L 6.52 3.65 0.00 1.15 0.62 0.86 0.59 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 60 P 0.00 4.50 0.00 2.12 2.03 0.00 3.28 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 61 F 6.15 5.12 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.39 4.41 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 63 K 9.02 4.79 0.00 1.64 1.70 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.37 7.81 64 I 8.37 4.96 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.72 1.21 0.00 0.00 65 Q 8.81 4.74 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 66 H 9.43 5.42 0.00 2.91 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.22 4.62 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.36 4.33 1.85 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 1.28 0.51 1.00 0.00 0.00 69 T 8.70 4.32 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 1.13 0.00 0.00 70 A 7.51 4.80 1.15 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 71 Q 8.56 4.88 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 72 D 9.30 5.04 0.00 2.54 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 73 H 8.91 5.57 0.00 3.22 3.38 0.00 5.85 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 74 Q 9.20 4.37 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 75 P 0.00 4.97 0.00 1.79 1.70 0.00 2.97 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 1.22 0.44 0.00 76 T 8.31 4.47 4.22 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 1.20 0.00 0.00 77 P 0.00 4.30 0.00 2.05 2.14 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 78 D 7.91 4.82 0.00 2.67 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 79 S 7.73 3.97 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.16 5.17 0.00 2.92 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 81 I 8.62 5.06 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.92 0.00 0.00 82 I 8.84 4.92 1.87 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 1.24 0.83 0.94 0.00 0.00 83 S 9.13 5.28 0.00 4.10 4.03 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 84 M 9.44 5.14 0.00 2.00 1.88 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 2.63 2.44 0.00 85 V 9.27 5.11 2.42 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 1.08 0.00 0.00 1.27 0.00 0.00 86 V 8.54 4.39 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.69 0.00 0.00 87 G 7.31 3.38 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 0.00 88 Q 8.99 5.39 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 89 L 9.28 5.28 0.00 1.50 1.58 0.79 0.48 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 90 K 9.04 4.69 0.00 1.75 1.60 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.28 1.34 7.81 91 A 8.53 4.87 0.76 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 92 D 9.20 4.16 0.00 2.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.12 4.60 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 94 D 7.99 4.65 0.00 2.76 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 95 P 0.00 4.49 0.00 2.18 2.06 0.00 3.79 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 2.00 0.00 96 I 8.18 4.04 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 0.80 0.91 0.00 0.00 97 M 9.04 4.83 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 98 G 8.59 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.50 5.30 0.00 2.83 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 0.00 100 H 9.18 5.30 0.00 2.94 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.30 5.04 0.00 2.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 1.46 2.53 0.00 102 M 8.74 5.19 0.00 1.98 1.77 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 2.47 2.79 0.00 103 F 9.22 5.39 0.00 2.92 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 0.00 104 L 9.10 5.07 0.00 1.78 1.57 1.03 0.74 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 0.00 105 L 9.20 5.26 0.00 1.66 1.67 0.57 -0.93 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 0.00 106 K 9.03 4.88 0.00 1.79 1.56 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.31 7.81 107 N 7.96 4.11 0.00 1.44 2.02 0.00 0.00 6.87 7.94 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 0.00 108 I 7.98 4.29 1.81 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 1.25 0.57 0.88 0.00 0.00 109 N 9.30 3.96 0.00 2.85 2.91 0.00 0.00 7.25 8.06 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 0.00 110 D 8.58 4.58 0.00 2.82 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 0.00 111 A 7.36 4.88 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 0.00 112 W 8.92 4.84 0.00 3.26 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 0.00 113 V 8.84 4.67 2.15 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 0.76 0.00 0.00 1.02 0.00 0.00 114 C 9.27 4.76 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 0.00 115 T 9.27 4.57 4.31 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 1.26 0.00 0.00 116 N 8.15 5.57 0.00 2.69 2.77 0.00 0.00 6.51 8.08 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 0.00 117 D 9.34 5.20 0.00 3.08 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 0.00 118 M 9.05 5.42 0.00 1.98 1.90 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 2.55 2.50 0.00 119 F 9.35 5.32 0.00 3.05 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 0.00 120 R 8.01 4.53 0.00 1.48 1.52 0.00 3.25 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 121 L 8.05 4.46 0.00 1.44 1.53 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.57 4.31 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 0.00 123 L 8.36 4.60 0.00 1.61 1.57 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *124 H 8.65 4.39 0.00 2.93 2.83 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.