NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1698 8.2649 123.5867 51.8472 20.0721 175.9249 *2 E 4.1494 8.2910 118.3424 56.3719 31.2545 174.7387 3 I 4.8629 8.3874 125.4609 60.1766 38.6921 175.1364 4 R 4.7308 8.7092 122.3733 54.3602 33.7098 174.1445 5 V 4.2336 8.2781 119.3337 62.3468 32.1858 175.2681 6 F 3.9122 8.8144 129.9662 59.0927 39.6562 174.7334 7 R 4.4241 8.2527 123.9439 53.7003 33.2446 176.5800 8 Q 3.9445 8.6045 120.3633 59.5816 28.4505 179.4881 9 E 3.8865 8.0175 118.1006 59.4216 29.7694 177.8128 10 D 4.3906 7.8388 117.2888 54.7697 40.6895 177.7557 11 F 4.1974 8.0001 122.9543 61.6759 39.4747 176.4988 12 E 4.0312 8.2835 117.6017 58.5016 29.5349 178.0743 13 E 3.9079 8.0412 118.6030 59.2052 29.5130 179.2244 14 V 3.1991 7.5042 118.3085 65.6029 31.4515 178.0107 15 I 3.3134 6.7953 119.4516 64.6483 36.8801 178.1048 16 T 3.8648 7.6702 116.3799 66.8508 68.3703 176.0563 17 L 3.9774 7.9676 121.8100 58.0756 42.0976 178.7910 18 W 4.6569 8.4594 119.2451 60.0653 28.9483 178.2046 19 E 4.0159 8.6313 118.4442 59.7894 28.8319 179.8344 20 R 4.0311 8.1608 116.3046 58.5360 30.1769 177.8536 21 C 4.4560 8.0098 114.5048 58.2481 29.4031 172.6478 22 D 4.3554 7.9155 119.7460 55.6276 39.5583 173.5093 23 L 4.5067 8.2873 116.4981 54.6366 43.5364 177.7254 24 L 4.3216 7.6463 118.5911 54.1538 42.7464 176.3209 25 R 4.1429 7.6673 119.6914 53.1988 33.5636 174.8798 26 P 4.1818 0.0000 0.0000 64.8250 31.4031 177.0851 27 W 4.5242 7.0861 114.0360 56.6099 28.7555 175.5286 28 N 4.8526 7.3983 117.3004 51.3316 39.1615 173.8013 29 D 4.5346 9.6203 125.2348 52.8674 41.3635 174.6056 30 P 4.4951 0.0000 0.0000 65.7348 31.9037 178.3634 31 E 4.1130 8.5102 116.1682 57.4140 29.0174 178.1635 *33 D 4.5781 8.1824 121.1722 54.6014 42.8841 177.8485 34 I 3.6328 7.8995 118.5239 64.6289 37.1453 177.9854 35 E 4.2494 8.6113 118.1620 59.4826 29.7008 179.2148 36 R 4.1667 8.0570 117.6275 59.1415 30.0293 178.8426 37 K 4.2107 7.8104 116.4360 57.2905 31.7397 177.7446 *39 N 4.5976 8.0824 117.8611 53.3099 40.6134 175.0197 40 H 4.2862 8.0545 116.6798 56.3262 30.2118 174.7015 41 D 4.7946 7.8102 122.0664 54.1065 44.6429 176.4601 42 V 4.2730 7.9156 126.6036 62.2897 32.2195 177.9971 43 S 4.2965 8.4217 115.6968 60.6206 62.8744 174.8613 44 L 4.4854 7.9579 118.8286 54.4875 42.3950 175.9434 45 F 5.0488 8.3959 123.2668 57.6178 39.8146 174.1051 46 L 5.2452 9.6629 127.1691 53.3678 44.1648 176.3495 47 V 5.0943 8.9005 114.6707 59.5021 36.3068 174.3930 48 A 5.2139 9.0539 124.5730 50.2400 21.1777 175.0188 49 E 5.0530 8.9426 121.4081 54.7373 32.2612 175.9277 50 V 4.1548 8.4943 122.5430 61.2671 34.3759 175.3124 51 N 4.2333 9.8786 127.4869 54.3720 36.0642 174.6539 52 G 4.0582 8.1476 105.8860 45.4125 0.0000 173.2690 53 E 4.1097 7.6921 121.0487 54.9139 30.3217 175.6639 54 V 4.2087 8.1252 126.1125 61.8142 31.9871 175.8635 55 V 4.3199 8.6564 117.0822 60.1695 33.8708 175.1705 56 G 4.5614 7.6638 106.0135 45.8447 0.0000 172.8312 57 T 5.5435 9.0106 111.4854 60.1936 72.8041 172.8266 58 V 4.5414 8.8043 123.4169 61.0485 35.3123 173.4158 *60 G 4.0935 8.7265 107.6980 46.5559 0.0000 171.6383 61 G 4.3288 8.1255 103.4598 46.7444 0.0000 171.9540 62 Y 5.6802 8.1805 120.7278 56.1002 42.3734 174.5801 63 D 4.7629 8.6077 123.4855 52.8078 40.0239 176.9386 64 G 3.5331 7.1001 107.3701 45.8090 0.0000 173.4728 65 H 4.9196 7.9929 115.3419 56.9859 33.5997 173.2931 66 R 4.9264 10.1265 117.7812 54.3446 34.1534 175.2941 67 G 4.4442 9.3935 110.3753 45.5152 0.0000 172.5643 68 S 5.2778 8.9726 114.3865 56.7219 67.2216 172.7150 69 A 4.6381 7.5215 120.8723 50.9964 20.6889 175.1329 70 Y 4.6458 8.1031 118.3063 56.4085 42.3572 174.2756 71 Y 3.4233 8.0163 115.2586 58.9109 35.3877 171.9160 72 L 4.6261 7.4109 121.5027 54.9372 42.7967 176.5325 73 G 4.4745 9.1121 113.0476 44.7954 0.0000 170.9976 74 V 4.9962 8.2342 121.0428 60.6189 34.7400 174.5199 75 H 4.0545 9.2643 127.5388 56.5151 30.0289 173.9452 76 P 4.0027 0.0000 0.0000 65.9635 31.2980 177.1064 77 E 4.1986 8.2328 114.8960 57.6986 29.7746 177.0061 78 F 4.8083 8.8771 117.9900 57.3663 39.2974 176.7184 79 R 4.2575 8.1073 119.9414 57.5322 30.3299 177.5607 80 G 3.9413 8.0578 105.4623 46.0831 0.0000 174.0171 81 R 4.5306 7.5915 115.8379 54.9224 31.5937 175.4417 82 G 4.0094 8.1935 105.3090 46.9854 0.0000 176.5880 83 I 3.7830 7.8471 122.6303 63.7291 37.1422 177.7479 84 A 3.9769 7.9099 121.2576 55.0240 18.2213 178.8504 85 N 4.1731 8.1762 114.8708 56.9757 39.1517 176.6931 86 A 4.0203 8.2687 122.2067 55.0401 18.4015 179.6617 87 L 3.9645 8.1931 117.7379 58.1156 41.7137 179.8021 88 L 4.1051 8.2251 119.1270 57.8526 41.6500 179.3172 89 N 4.3793 8.5927 116.9262 56.2759 38.4119 177.5048 90 R 3.9128 8.0229 119.9293 59.0946 30.1362 178.0081 91 L 3.9689 7.9076 120.2499 58.4980 42.0859 178.7650 92 E 3.9659 8.5293 118.5567 59.5194 29.3514 179.6428 93 K 3.9969 7.9474 118.0737 59.3734 31.7532 179.5640 94 K 3.9996 8.4978 119.1995 59.3013 31.9553 179.3704 95 L 3.8455 8.1896 119.4949 57.8552 41.5233 179.3621 96 I 3.5856 7.7006 119.3929 64.6408 36.8772 178.2775 97 A 4.0922 8.2393 120.5127 54.2549 18.1139 178.8082 98 R 4.5429 7.3776 111.1864 55.8625 29.9051 177.0304 99 G 3.8009 8.1206 106.6038 46.1888 0.0000 173.3034 100 C 4.0341 7.8510 119.9950 57.2559 31.4080 172.0006 101 P 4.4002 0.0000 0.0000 64.3995 31.8836 176.0286 102 K 4.3107 7.4162 118.1371 55.4721 35.4247 173.3286 103 I 4.9143 8.3295 127.1562 59.4265 40.0004 174.4506 104 Q 4.7245 8.9487 127.3898 54.1932 31.9709 175.0141 105 I 4.3535 8.1857 123.2146 59.3767 40.6359 174.4619 106 N 4.6867 8.5491 122.3967 52.1937 39.5326 174.9617 107 V 4.4900 7.8844 115.5711 58.3530 35.0770 173.8086 108 P 4.3038 0.0000 0.0000 62.9899 31.6435 177.5691 109 E 4.0238 8.8577 122.5373 59.3261 29.8593 178.4004 110 D 4.4378 8.1806 117.6372 56.4680 40.1512 177.4509 111 N 4.7368 7.6989 121.0240 52.9171 36.2992 176.4536 112 D 4.7247 7.8648 124.3082 53.5907 40.7632 179.1864 *114 V 3.9108 7.8974 120.0437 62.9379 33.5167 176.1358 115 L 4.2539 8.2262 119.7627 58.0149 41.6516 180.3949 116 G 3.9445 8.2515 105.1692 46.3536 0.0000 174.9204 *118 Y 4.4896 8.0617 118.7419 57.7982 39.9439 177.3143 119 E 4.5247 8.5007 118.7046 58.9041 29.6616 179.6623 120 R 3.9103 8.1710 117.4232 58.6930 30.1649 176.8758 121 L 4.3871 7.8601 115.3561 54.8331 42.0510 177.0206 122 G 4.0529 8.5207 107.7619 45.4205 0.0000 173.2825 123 Y 4.2757 8.5210 117.7516 56.9796 38.8798 174.5596 124 E 4.8688 8.3225 122.0419 54.5249 32.9007 175.5939 125 H 4.3318 8.8203 119.0759 55.6394 29.5249 174.7824 126 A 4.7122 8.3059 126.4174 50.7525 21.2445 177.3641 127 D 4.7326 8.3648 123.0853 52.9159 39.5590 175.7538 128 V 4.5919 7.1646 118.4233 59.7553 35.2952 175.4400 129 L 4.6501 8.2311 119.6433 52.8798 44.2622 176.2231 130 S 4.4722 8.6673 118.3408 57.1992 62.8450 172.9690 131 L 4.8196 8.3722 127.5130 53.0473 44.1064 175.9029 132 G 4.1773 8.1296 109.0475 44.2842 0.0000 172.3731 133 K 4.3122 8.1293 120.7201 54.5541 34.4652 175.7320 134 R 4.1099 8.5774 127.4643 56.2158 30.6769 175.5998 135 L 4.5633 8.5383 124.0395 55.1541 43.8630 176.7996 136 I 4.5266 7.4268 117.9743 59.2793 40.0570 174.4916 137 E 4.2749 8.7812 125.6355 55.7847 30.1580 175.9803 138 D 4.7312 8.6154 123.9512 53.7785 41.9761 176.3429 139 E 4.3256 8.5538 122.2777 57.0465 30.4331 175.0129 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 0 A 8.26 4.17 1.27 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 0.00 0.00 0.00 *2 E 8.29 4.15 0.00 1.94 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 2.29 2.35 0.00 3 I 8.39 4.86 1.89 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 1.42 0.82 0.95 0.00 0.00 4 R 8.71 4.73 0.00 1.81 1.97 0.00 2.69 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 5 V 8.28 4.23 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 0.93 0.00 0.00 1.04 0.00 0.00 6 F 8.81 3.91 0.00 2.13 2.56 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 0.00 0.00 0.00 0.00 7 R 8.25 4.42 0.00 1.63 1.48 0.00 3.12 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 8 Q 8.60 3.94 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 9 E 8.02 3.89 0.00 1.83 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 2.23 2.29 0.00 10 D 7.84 4.39 0.00 1.94 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.00 4.20 0.00 3.41 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 12 E 8.28 4.03 0.00 2.25 1.95 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 2.42 2.47 0.00 13 E 8.04 3.91 0.00 2.16 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 2.32 2.36 0.00 14 V 7.50 3.20 1.95 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 -0.43 0.00 0.00 0.83 0.00 0.00 15 I 6.80 3.31 1.62 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 1.33 -0.16 0.88 0.00 0.00 16 T 7.67 3.86 4.38 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 1.21 0.00 0.00 17 L 7.97 3.98 0.00 1.71 1.77 1.05 1.41 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 18 W 8.46 4.66 0.00 3.54 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 19 E 8.63 4.02 0.00 2.26 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 0.00 2.38 2.59 0.00 20 R 8.16 4.03 0.00 1.94 2.02 0.00 3.35 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 21 C 8.01 4.46 0.00 3.18 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 22 D 7.92 4.36 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 23 L 8.29 4.51 0.00 1.84 1.55 0.93 0.73 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 24 L 7.65 4.32 0.00 1.60 1.55 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.67 4.14 0.00 0.70 0.66 0.00 2.67 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.00 26 P 0.00 4.18 0.00 2.24 2.16 0.00 2.66 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 27 W 7.09 4.52 0.00 3.37 3.35 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 28 N 7.40 4.85 0.00 2.46 2.90 0.00 0.00 6.89 7.65 0.00 0.00 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 D 9.62 4.53 0.00 2.62 2.72 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 30 P 0.00 4.50 0.00 2.47 2.55 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 31 E 8.51 4.11 0.00 2.38 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 0.00 2.52 2.38 0.00 *33 D 8.18 4.58 0.00 2.73 2.73 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 34 I 7.90 3.63 1.97 0.00 0.00 -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 1.37 0.53 1.12 0.00 0.00 35 E 8.61 4.25 0.00 1.98 2.09 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 2.77 2.58 0.00 36 R 8.06 4.17 0.00 2.01 1.98 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 37 K 7.81 4.21 0.00 1.85 1.87 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.06 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.08 1.58 7.81 *39 N 8.08 4.60 0.00 2.78 3.06 0.00 0.00 7.10 7.89 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 40 H 8.05 4.29 0.00 3.26 3.54 0.00 6.09 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.81 4.79 0.00 2.58 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 4.27 2.29 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 0.92 0.00 0.00 1.33 0.00 0.00 43 S 8.42 4.30 0.00 4.09 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 44 L 7.96 4.49 0.00 1.86 1.80 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.40 5.05 0.00 3.13 3.18 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 46 L 9.66 5.25 0.00 1.71 1.63 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.90 5.09 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 0.76 0.00 0.00 0.90 0.00 0.00 48 A 9.05 5.21 1.19 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 0.00 0.00 49 E 8.94 5.05 0.00 1.87 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 2.13 2.16 0.00 50 V 8.49 4.15 1.71 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 1.16 0.00 0.00 0.86 0.00 0.00 51 N 9.88 4.23 0.00 2.87 2.82 0.00 0.00 7.28 7.65 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 53 E 7.69 4.11 0.00 1.98 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 2.04 2.12 0.00 54 V 8.13 4.21 1.96 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 0.66 0.00 0.00 0.84 0.00 0.00 55 V 8.66 4.32 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.40 0.00 0.00 56 G 7.66 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 9.01 5.54 4.74 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 1.32 0.00 0.00 58 V 8.80 4.54 2.20 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 0.91 0.00 0.00 1.06 0.00 0.00 *60 G 8.73 4.09 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 0.00 0.00 0.00 61 G 8.13 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 62 Y 8.18 5.68 0.00 2.98 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 63 D 8.61 4.76 0.00 2.66 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 64 G 7.10 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.99 4.92 0.00 2.99 3.38 0.00 5.87 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 66 R 10.13 4.93 0.00 1.78 1.78 0.00 3.29 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.85 0.00 67 G 9.39 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 68 S 8.97 5.28 0.00 3.46 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 69 A 7.52 4.64 1.11 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 70 Y 8.10 4.65 0.00 2.92 2.52 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 71 Y 8.02 3.42 0.00 2.89 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 72 L 7.41 4.63 0.00 1.84 1.64 0.97 0.86 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 73 G 9.11 4.47 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 0.00 0.00 0.00 74 V 8.23 5.00 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 0.96 0.00 0.00 1.00 0.00 0.00 75 H 9.26 4.05 0.00 3.35 3.45 0.00 5.87 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.00 0.00 2.00 2.12 0.00 3.41 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 77 E 8.23 4.20 0.00 2.18 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 2.38 2.40 0.00 78 F 8.88 4.81 0.00 2.98 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 79 R 8.11 4.26 0.00 1.82 1.99 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 80 G 8.06 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 0.00 0.00 0.00 81 R 7.59 4.53 0.00 1.98 1.95 0.00 3.37 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 82 G 8.19 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 0.00 0.00 0.00 83 I 7.85 3.78 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.94 0.00 0.00 84 A 7.91 3.98 1.27 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 0.00 0.00 0.00 85 N 8.18 4.17 0.00 2.83 2.99 0.00 0.00 7.06 8.46 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 86 A 8.27 4.02 1.41 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 0.00 0.00 87 L 8.19 3.96 0.00 1.94 1.79 1.01 0.85 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 88 L 8.23 4.11 0.00 1.73 1.84 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.59 4.38 0.00 2.93 2.90 0.00 0.00 6.65 7.57 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 90 R 8.02 3.91 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 91 L 7.91 3.97 0.00 1.89 1.88 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.53 3.97 0.00 2.28 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 2.38 2.55 0.00 93 K 7.95 4.00 0.00 2.01 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.72 7.81 94 K 8.50 4.00 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.65 7.81 95 L 8.19 3.85 0.00 1.73 1.49 0.90 0.87 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 96 I 7.70 3.59 1.98 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 1.40 0.67 0.88 0.00 0.00 97 A 8.24 4.09 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 98 R 7.38 4.54 0.00 2.09 2.05 0.00 3.27 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.50 0.00 99 G 8.12 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 0.00 100 C 7.85 4.03 0.00 1.46 2.44 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 0.00 101 P 0.00 4.40 0.00 2.19 2.15 0.00 4.00 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 102 K 7.42 4.31 0.00 1.74 1.56 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.30 7.81 103 I 8.33 4.91 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.10 0.82 0.00 0.00 104 Q 8.95 4.72 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.36 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 105 I 8.19 4.35 1.27 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 1.17 0.48 0.48 0.00 0.00 106 N 8.55 4.69 0.00 2.69 2.72 0.00 0.00 6.85 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 0.00 107 V 7.88 4.49 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 0.58 0.00 0.00 0.97 0.00 0.00 108 P 0.00 4.30 0.00 2.19 2.07 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 109 E 8.86 4.02 0.00 1.96 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 2.31 0.00 110 D 8.18 4.44 0.00 2.79 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 0.00 111 N 7.70 4.74 0.00 2.75 2.79 0.00 0.00 7.30 8.34 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 0.00 112 D 7.86 4.72 0.00 2.75 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 *114 V 7.90 3.91 2.21 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 0.95 0.00 0.00 0.95 0.00 0.00 115 L 8.23 4.25 0.00 1.95 1.79 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.25 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 0.00 0.00 0.00 *118 Y 8.06 4.49 0.00 3.14 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 0.00 119 E 8.50 4.52 0.00 2.23 2.09 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 2.42 2.47 0.00 120 R 8.17 3.91 0.00 2.06 1.97 0.00 3.25 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 121 L 7.86 4.39 0.00 2.08 1.91 0.80 1.02 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 0.00 122 G 8.52 4.05 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 0.00 0.00 0.00 123 Y 8.52 4.28 0.00 3.10 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 0.00 124 E 8.32 4.87 0.00 1.89 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 2.22 2.28 0.00 125 H 8.82 4.33 0.00 3.12 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.31 4.71 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 0.00 127 D 8.36 4.73 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.16 4.59 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 0.76 0.00 0.00 0.93 0.00 0.00 129 L 8.23 4.65 0.00 1.60 1.57 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.67 4.47 0.00 3.82 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 0.00 131 L 8.37 4.82 0.00 1.61 1.51 0.94 0.87 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 0.00 132 G 8.13 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 0.00 133 K 8.13 4.31 0.00 1.64 1.64 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.39 7.81 134 R 8.58 4.11 0.00 1.74 1.79 0.00 3.29 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 135 L 8.54 4.56 0.00 1.63 1.66 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.43 4.53 1.88 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 1.42 0.60 0.92 0.00 0.00 137 E 8.78 4.27 0.00 1.96 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 2.32 2.40 0.00 138 D 8.62 4.73 0.00 2.85 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 0.00 139 E 8.55 4.33 0.00 1.94 1.81 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 2.26 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.