NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4717 8.3344 115.4167 58.1020 63.3831 172.4226 4 Q 3.9683 8.2387 128.3996 55.1483 30.6649 173.0486 5 K 4.6032 9.0866 126.4809 56.2981 33.9661 174.9617 6 Y 5.1435 9.1538 122.3687 56.0728 41.8405 174.6339 7 L 5.2005 8.9847 122.8161 53.2073 44.5710 175.6952 8 F 4.9180 9.6670 124.5808 56.7699 40.1144 174.6836 9 I 5.1357 8.7037 128.7484 59.1002 40.3740 175.2457 *11 R 4.1513 8.6974 119.8841 57.2452 31.8992 175.4895 12 D 4.5800 7.8389 119.4047 55.8213 41.1015 177.0967 13 G 4.1181 9.4227 114.1609 45.7085 0.0000 172.8981 14 T 3.8245 7.7094 113.4021 64.9787 71.1271 176.1437 15 L 4.1960 8.2487 121.0822 56.4646 42.3051 176.6507 16 I 4.9309 7.1450 109.8346 58.3951 41.4291 174.8139 17 S 4.8380 8.9823 118.1144 57.9577 63.0503 172.8208 18 E 4.5282 8.6238 127.0970 54.1422 30.7754 173.6659 19 P 4.4471 0.0000 0.0000 63.1207 30.5245 177.6260 *22 D 4.2640 9.1143 125.1546 52.8204 40.7686 175.3285 23 F 3.9984 7.5374 116.2649 58.3412 37.1045 174.7779 24 Q 4.3801 7.7248 116.6226 54.5048 30.9985 176.0033 25 V 3.9684 8.3049 122.7184 61.5154 29.9641 174.5454 26 D 5.3196 7.9799 118.2367 51.5566 40.3888 177.0495 27 R 4.6634 7.3709 117.7452 54.5711 34.5023 175.9005 28 F 4.1957 8.9000 120.1301 60.9059 39.0389 176.8250 29 D 4.6689 8.2442 116.1701 54.1943 39.2235 176.5077 30 K 4.3743 7.8876 118.4356 56.2401 32.8798 175.9033 31 L 4.3113 7.7866 122.2396 54.2856 42.8176 175.6273 32 A 4.8800 8.2455 126.2278 50.7523 22.6864 174.9850 33 F 4.6756 9.0193 120.3779 56.7994 40.3189 175.6822 34 E 4.4348 8.9315 121.8590 55.4469 30.7975 174.9697 35 P 4.2650 0.0000 0.0000 64.1551 32.0284 177.0120 36 G 4.0662 9.1751 110.2117 46.2281 0.0000 175.5216 37 V 2.7955 7.6348 121.9063 64.5909 31.0722 178.3890 38 I 3.8327 7.7477 120.2192 63.5731 37.1620 176.3668 39 P 4.2323 0.0000 0.0000 66.1667 31.1496 178.4152 40 Q 4.0272 8.1627 117.7432 58.7063 28.5748 178.5570 41 L 3.8411 7.8191 120.0639 57.5270 41.5510 179.4714 42 L 3.9144 8.0672 119.2040 57.6153 41.6494 179.4292 43 K 3.9384 8.1515 119.4869 59.5610 32.1314 178.8959 44 L 4.1289 8.1718 119.4048 57.8881 41.5408 179.3877 45 Q 4.3473 8.2797 119.6886 58.5061 28.4318 179.2338 46 K 4.0226 7.9848 118.0916 58.9171 32.1333 178.3108 47 A 4.3988 7.6023 118.1835 52.1711 18.7344 177.9248 48 G 3.7924 7.9590 106.2429 45.0138 0.0000 173.4572 49 Y 4.3692 7.9640 118.2444 57.5167 39.2637 174.9315 50 K 4.4785 8.7181 123.0511 55.0773 34.8622 175.3208 51 L 5.1355 8.2588 122.4083 53.0195 44.7141 175.5287 52 V 4.8148 8.7276 122.9889 61.3375 34.7864 173.7660 53 M 4.8053 8.9935 128.3354 54.7736 33.7038 174.6118 54 I 5.0644 8.6292 125.8155 59.6650 41.0802 174.1956 55 T 4.7010 9.0286 123.7151 60.5307 71.1200 172.0577 56 N 4.9506 8.8716 126.0746 52.7749 39.7272 175.5127 57 Q 4.6850 9.2795 124.2909 52.8343 29.2171 172.4860 58 D 4.9642 7.8793 118.1770 54.9224 41.4004 177.1075 59 G 3.8848 8.8240 112.3285 46.0025 0.0000 172.2766 60 L 3.8776 7.7681 122.1094 56.3173 41.9834 177.1335 61 G 3.9292 8.9098 115.1002 45.4340 0.0000 173.4154 62 T 4.4073 7.7764 110.4403 59.7254 70.6697 175.3232 63 Q 3.9778 8.7479 122.4006 59.5363 28.7593 177.9531 64 S 4.4574 7.5570 111.2983 60.1286 63.8753 174.6998 65 F 5.3991 8.1511 122.4461 56.0845 40.2272 171.3627 66 P 4.5228 0.0000 0.0000 62.3600 32.5474 177.4568 67 Q 3.7537 8.8612 122.4106 59.5795 28.5052 179.0691 68 A 4.0029 7.9325 120.9751 55.1955 17.9949 179.2094 69 D 4.3981 8.0181 117.4664 57.3566 40.8654 178.7478 70 F 4.2573 8.0163 120.8478 61.1906 39.4055 176.8203 71 D 4.4230 8.4792 118.9322 57.6735 40.6196 178.4388 72 G 3.4291 7.5606 104.6065 47.6273 0.0000 173.7396 73 P 4.1453 0.0000 0.0000 64.8218 31.4224 178.4440 74 H 3.8870 7.7147 117.0289 59.2447 29.6346 177.1252 75 N 4.3008 8.4002 118.7545 56.0839 38.2605 177.2301 76 L 3.9817 8.0227 121.8084 58.3010 42.2659 178.4111 77 M 4.2056 8.3783 118.5920 59.3162 32.0290 178.1000 78 M 4.2689 8.3245 118.8348 58.3452 32.0018 178.3626 79 Q 4.0061 8.4273 120.1141 59.3658 29.3333 178.7248 80 I 3.5999 7.9737 120.6077 64.3698 37.1448 178.3103 81 F 4.4185 8.2887 118.5213 61.1276 38.8552 177.9661 82 T 4.1963 8.7109 117.0042 66.2507 68.1019 177.0231 83 S 4.2096 8.2497 114.9321 61.0051 62.9912 175.5159 84 Q 4.3793 7.7217 118.8692 55.6571 28.8726 176.4169 85 G 3.9037 8.1377 108.9882 44.9485 0.0000 173.5977 86 V 3.9816 8.0140 120.9031 61.7006 32.0351 174.7182 87 Q 4.5483 9.0049 126.7574 53.9573 31.1287 174.7266 88 F 4.7720 8.5686 121.1144 55.8846 39.9908 175.5307 89 D 4.6951 9.5049 125.0525 57.2825 41.3403 176.8025 90 E 4.8453 8.2402 115.3579 54.7215 34.6157 174.8051 91 V 4.6432 8.5104 121.8960 61.4344 33.4656 174.5585 92 L 4.7558 9.1739 129.4681 53.1723 43.6103 175.8035 93 I 4.8674 8.3420 124.2788 59.5117 40.3950 174.3774 94 C 4.6294 8.9475 128.0093 57.2679 33.0741 171.8261 95 P 4.7909 0.0000 0.0000 63.3373 32.3747 175.7506 96 H 4.7819 7.8342 118.2460 55.3207 29.9515 174.6694 97 L 4.4656 8.8375 122.2142 53.7135 42.7120 176.5726 98 P 4.1918 0.0000 0.0000 65.8431 31.3873 178.7326 99 A 4.1280 7.9099 119.0420 54.6984 18.4988 178.2474 100 D 4.3608 8.0125 115.5043 55.4633 41.2800 176.2489 101 E 3.7019 7.7737 117.1130 57.3178 27.2445 173.7596 102 C 4.4103 7.6540 112.2772 57.4614 31.2469 173.4258 103 D 4.4725 8.4401 119.0343 56.2032 40.5553 177.2278 104 C 4.5560 7.7614 111.1843 57.5339 30.8662 173.6747 105 R 4.1345 7.7772 122.6779 55.8017 30.0240 175.5096 106 K 4.0922 8.9139 124.8991 56.9725 32.4414 174.5040 107 P 4.7141 0.0000 0.0000 62.4167 31.5858 176.0924 108 K 4.0599 7.8629 118.3066 57.4386 32.4468 177.4382 109 V 4.0049 8.1464 113.5030 61.2156 32.5536 177.8425 110 K 3.8122 8.2273 122.4783 59.6302 31.8659 178.4697 111 L 4.0480 7.9841 116.1978 57.0390 41.8121 178.0422 112 V 4.5230 7.9709 116.7630 62.1292 32.1716 176.5604 113 E 3.9738 8.1570 119.1389 59.9391 29.2717 179.7605 114 R 3.8899 7.9150 114.6074 58.9693 29.6608 177.4637 115 Y 4.1043 7.9857 115.5340 60.2198 38.3397 176.7206 116 L 4.2856 7.3252 122.0115 53.1397 40.1646 175.7673 *121 M 4.5581 7.4936 116.5674 54.8310 33.0042 176.8036 122 D 4.6067 8.8000 120.9387 53.7825 39.6660 176.8322 123 R 3.9750 8.5828 125.4991 58.8940 30.4607 179.3462 124 A 4.0087 8.1241 119.3122 54.4016 18.5540 177.4685 125 N 5.1432 8.1310 110.7146 53.1705 40.0541 174.8605 126 S 5.4109 7.8791 115.0866 57.4227 66.1592 172.8513 127 Y 5.3182 9.1570 118.6709 56.6113 42.7996 174.1735 128 V 4.8998 8.8244 122.5855 61.7244 33.6279 174.5268 129 I 4.9734 8.7306 128.9630 59.8370 39.5956 174.9340 130 G 4.2163 8.7893 112.9426 45.3018 0.0000 172.9449 131 D 5.3943 8.7935 117.2949 52.1999 40.2783 176.3208 132 R 4.6980 7.9150 118.5236 53.8435 33.5126 176.3485 133 A 4.0469 8.6214 121.8296 55.7716 18.1189 180.3495 134 T 3.8130 7.8712 107.6870 64.9525 68.8893 176.4406 135 D 4.3423 8.0680 121.9979 57.2391 40.8035 178.7196 136 I 3.7730 7.6737 120.0107 64.3192 37.1349 178.0891 137 Q 3.9585 8.3831 120.7600 58.8307 28.8660 177.8413 138 L 4.0089 8.1838 121.4831 58.0998 42.1138 178.7447 139 A 3.9289 7.8604 120.4287 55.1366 18.3072 179.0944 140 E 3.8364 8.0858 117.6370 59.7464 29.5445 178.9099 141 N 4.3605 8.2911 115.1107 56.1086 38.6262 176.4848 142 M 4.2766 7.8959 118.1708 54.7145 32.4369 176.6590 143 G 3.8218 7.8325 107.1928 46.2980 0.0000 172.7713 144 I 4.6515 7.3868 112.6717 58.2624 40.9750 174.4797 145 N 4.5869 8.3949 118.6143 53.1433 39.6253 174.8845 146 G 4.5255 8.6213 107.9120 44.4296 0.0000 172.0985 147 L 4.7868 9.1059 124.2545 52.7803 44.7062 175.9063 148 R 4.3851 8.6525 125.4768 54.9384 29.8535 174.7105 149 Y 4.1277 8.6492 128.3055 57.7568 40.2490 174.7612 150 D 4.2654 7.9782 125.1850 52.2357 44.1925 175.6619 151 R 3.6366 8.4425 127.1728 59.2041 30.2936 177.0186 152 E 4.2503 8.3231 116.4010 57.8781 29.9660 177.1457 153 T 4.4476 7.6703 105.3642 61.6259 71.0169 174.6174 154 L 4.4144 7.6978 123.8632 52.8733 43.5089 173.2673 155 N 4.7995 7.4956 121.3515 50.3241 41.5786 175.2837 156 W 4.3772 8.7005 118.8354 59.9133 29.1675 176.6103 157 P 4.3881 0.0000 0.0000 65.9680 30.6714 178.5709 158 M 4.0828 8.1542 117.0925 58.4604 31.8645 178.9262 159 I 3.7126 8.0446 120.2154 64.2069 37.0303 178.7121 160 G 4.0122 8.3291 107.2845 47.2337 0.0000 175.0909 161 E 4.0957 8.3062 121.8395 58.9188 29.4934 178.5191 162 Q 3.9887 7.9855 118.3942 59.2674 29.3141 177.8439 163 L 4.3487 7.8094 116.4932 55.4771 41.9442 177.0721 164 T 4.2997 7.4682 113.7700 61.6735 68.8093 173.8904 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 3 S 8.33 4.47 0.00 4.11 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 4 Q 8.24 3.97 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.09 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 5 K 9.09 4.60 0.00 1.35 1.56 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.28 7.81 6 Y 9.15 5.14 0.00 2.85 2.02 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 7 L 8.98 5.20 0.00 1.53 1.61 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.67 4.92 0.00 2.94 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 9 I 8.70 5.14 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.80 1.17 0.00 0.00 *11 R 8.70 4.15 0.00 1.86 1.92 0.00 3.22 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 12 D 7.84 4.58 0.00 2.76 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 13 G 9.42 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 0.00 0.00 0.00 14 T 7.71 3.82 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 1.03 0.00 0.00 15 L 8.25 4.20 0.00 1.67 1.75 0.64 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.15 4.93 1.90 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 1.17 1.32 0.41 0.00 0.00 17 S 8.98 4.84 0.00 3.93 3.85 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 18 E 8.62 4.53 0.00 2.20 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 0.00 2.40 2.44 0.00 19 P 0.00 4.45 0.00 2.09 1.24 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 *22 D 9.11 4.26 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 23 F 7.54 4.00 0.00 3.22 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 24 Q 7.72 4.38 0.00 1.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.25 0.00 0.00 0.00 0.00 0.00 2.09 1.82 0.00 25 V 8.30 3.97 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 0.83 0.00 0.00 0.95 0.00 0.00 26 D 7.98 5.32 0.00 3.00 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 27 R 7.37 4.66 0.00 1.88 1.89 0.00 3.15 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 F 8.90 4.20 0.00 3.12 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 29 D 8.24 4.67 0.00 2.80 2.84 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 30 K 7.89 4.37 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 31 L 7.79 4.31 0.00 1.68 1.84 0.97 1.18 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 32 A 8.25 4.88 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 33 F 9.02 4.68 0.00 2.75 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 34 E 8.93 4.43 0.00 2.23 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 0.00 2.33 2.61 0.00 35 P 0.00 4.27 0.00 2.20 2.11 0.00 4.05 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 36 G 9.18 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 0.00 0.00 0.00 37 V 7.63 2.80 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 1.08 0.00 0.00 0.19 0.00 0.00 38 I 7.75 3.83 1.88 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 1.88 0.70 0.93 0.00 0.00 39 P 0.00 4.23 0.00 2.27 2.32 0.00 3.70 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 2.27 2.08 0.00 40 Q 8.16 4.03 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 41 L 7.82 3.84 0.00 1.52 1.41 0.42 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.07 3.91 0.00 1.85 1.70 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.15 3.94 0.00 1.95 2.03 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 44 L 8.17 4.13 0.00 1.81 1.64 0.97 0.81 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 45 Q 8.28 4.35 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 46 K 7.98 4.02 0.00 1.94 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 47 A 7.60 4.40 1.47 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 48 G 7.96 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 0.00 0.00 0.00 49 Y 7.96 4.37 0.00 3.05 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 50 K 8.72 4.48 0.00 1.20 1.71 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.36 7.81 51 L 8.26 5.14 0.00 1.28 1.33 0.37 0.61 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 52 V 8.73 4.81 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 0.98 0.00 0.00 0.57 0.00 0.00 53 M 8.99 4.81 0.00 1.91 1.16 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 54 I 8.63 5.06 1.96 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 1.13 1.09 1.00 0.00 0.00 55 T 9.03 4.70 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 1.24 0.00 0.00 56 N 8.87 4.95 0.00 2.66 2.75 0.00 0.00 6.83 7.69 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 57 Q 9.28 4.68 0.00 1.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 58 D 7.88 4.96 0.00 2.68 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 59 G 8.82 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 60 L 7.77 3.88 0.00 1.43 1.32 -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.91 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 62 T 7.78 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 1.23 0.00 0.00 63 Q 8.75 3.98 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 64 S 7.56 4.46 0.00 3.88 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 65 F 8.15 5.40 0.00 3.03 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 66 P 0.00 4.52 0.00 2.25 1.98 0.00 4.00 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 67 Q 8.86 3.75 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 68 A 7.93 4.00 1.34 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 0.00 0.00 69 D 8.02 4.40 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 70 F 8.02 4.26 0.00 2.38 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 71 D 8.48 4.42 0.00 2.89 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 72 G 7.56 3.43 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 0.00 0.00 0.00 73 P 0.00 4.15 0.00 1.95 1.96 0.00 3.40 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.49 0.00 74 H 7.71 3.89 0.00 2.05 2.69 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.40 4.30 0.00 2.87 2.89 0.00 0.00 6.71 6.28 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 76 L 8.02 3.98 0.00 2.11 1.99 0.93 1.03 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 77 M 8.38 4.21 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.69 0.00 78 M 8.32 4.27 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 79 Q 8.43 4.01 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 80 I 7.97 3.60 1.90 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.33 0.00 0.00 81 F 8.29 4.42 0.00 3.30 3.33 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 82 T 8.71 4.20 4.41 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 1.26 0.00 0.00 83 S 8.25 4.21 0.00 4.00 4.04 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 0.00 0.00 0.00 84 Q 7.72 4.38 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 85 G 8.14 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 86 V 8.01 3.98 2.39 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 0.32 0.00 0.00 0.96 0.00 0.00 87 Q 9.00 4.55 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 88 F 8.57 4.77 0.00 2.91 3.11 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 89 D 9.50 4.70 0.00 2.77 2.91 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 90 E 8.24 4.85 0.00 2.01 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 2.40 2.49 0.00 91 V 8.51 4.64 2.13 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 0.85 0.00 0.00 0.90 0.00 0.00 92 L 9.17 4.76 0.00 1.70 1.60 1.15 0.91 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 93 I 8.34 4.87 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.68 0.00 0.00 94 C 8.95 4.63 0.00 3.11 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 95 P 0.00 4.79 0.00 2.08 2.02 0.00 3.50 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 1.64 1.79 0.00 96 H 7.83 4.78 0.00 3.27 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.84 4.47 0.00 1.85 1.59 0.94 1.45 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 98 P 0.00 4.19 0.00 2.16 2.09 0.00 3.60 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 2.09 2.08 0.00 99 A 7.91 4.13 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 0.00 100 D 8.01 4.36 0.00 2.88 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 0.00 101 E 7.77 3.70 0.00 2.11 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 2.23 2.34 0.00 102 C 7.65 4.41 0.00 2.81 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 0.00 103 D 8.44 4.47 0.00 2.67 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 0.00 104 C 7.76 4.56 0.00 3.06 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 0.00 105 R 7.78 4.13 0.00 1.87 1.85 0.00 3.21 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 106 K 8.91 4.09 0.00 1.78 1.75 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 107 P 0.00 4.71 0.00 2.14 2.32 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 108 K 7.86 4.06 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.40 7.81 109 V 8.15 4.00 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 0.65 0.00 0.00 0.90 0.00 0.00 110 K 8.23 3.81 0.00 1.88 1.88 0.00 1.61 0.00 0.00 1.81 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 123 R 8.58 3.98 0.00 1.93 2.10 0.00 3.20 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 124 A 8.12 4.01 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 0.00 125 N 8.13 5.14 0.00 2.80 2.92 0.00 0.00 6.88 7.58 0.00 0.00 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 S 7.88 5.41 0.00 3.92 4.14 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 0.00 127 Y 9.16 5.32 0.00 2.85 2.84 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 0.00 128 V 8.82 4.90 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 1.17 0.00 0.00 0.95 0.00 0.00 129 I 8.73 4.97 1.96 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 1.10 0.73 0.63 0.00 0.00 130 G 8.79 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 0.00 0.00 0.00 0.00 131 D 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.09 3.84 0.00 2.05 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 0.00 2.29 2.34 0.00 141 N 8.29 4.36 0.00 2.81 2.83 0.00 0.00 7.11 7.21 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 0.00 142 M 7.90 4.28 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 143 G 7.83 3.82 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 0.00 0.00 0.00 144 I 7.39 4.65 2.03 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 1.16 0.76 0.97 0.00 0.00 145 N 8.39 4.59 0.00 2.00 2.64 0.00 0.00 7.10 6.90 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 0.00 146 G 8.62 4.53 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 0.00 147 L 9.11 4.79 0.00 1.53 1.50 0.57 0.55 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 0.00 148 R 8.65 4.39 0.00 1.80 1.85 0.00 3.31 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 149 Y 8.65 4.13 0.00 2.86 2.74 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 0.00 150 D 7.98 4.27 0.00 2.55 2.27 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 0.00 151 R 8.44 3.64 0.00 1.97 1.94 0.00 3.33 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 152 E 8.32 4.25 0.00 2.08 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 2.27 2.36 0.00 153 T 7.67 4.45 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 154 L 7.70 4.41 0.00 1.57 1.43 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.50 4.80 0.00 3.04 2.95 0.00 0.00 6.12 8.88 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 0.00 156 W 8.70 4.38 0.00 3.78 3.33 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 0.00 157 P 0.00 4.39 0.00 2.21 2.18 0.00 3.98 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 158 M 8.15 4.08 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 159 I 8.04 3.71 1.99 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.81 0.00 0.00 160 G 8.33 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 0.00 161 E 8.31 4.10 0.00 2.09 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 0.00 2.32 2.33 0.00 162 Q 7.99 3.99 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 163 L 7.81 4.35 0.00 1.58 1.48 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.47 4.30 4.30 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 1.33 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.