NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 W 5.0945 8.2701 118.1195 56.8090 28.7365 174.4352 13 A 3.9850 8.7833 133.5894 51.1755 19.4787 174.9930 14 Q 4.6970 8.9314 120.6748 54.1691 32.0330 173.7486 15 R 4.1314 8.6770 124.4856 56.1851 30.8909 176.0726 16 S 5.0745 8.3023 114.4493 57.9731 65.9306 173.2652 17 S 5.0009 8.9985 116.1673 57.2789 67.6830 173.2910 18 T 4.9171 8.0077 115.9588 64.7744 71.0168 173.9952 19 T 4.3045 8.3284 124.2234 61.3348 70.4851 174.3964 20 D 5.8016 7.6288 132.3474 53.6660 39.7531 175.2108 21 P 4.2863 0.0000 0.0000 63.3837 33.3191 176.9516 22 E 4.3088 7.4690 121.8180 55.8483 30.2463 177.4679 23 R 3.9146 8.5108 123.5871 59.9186 30.5365 177.0742 24 N 4.9988 7.9889 112.0309 52.3726 38.4456 172.5413 25 Y 5.2619 6.9139 116.3014 56.2174 42.0121 173.4391 26 V 4.6774 9.1276 119.6728 60.8401 34.7163 174.1408 27 L 5.2581 9.8326 127.9186 54.1232 43.6313 175.9295 28 I 4.8665 8.9769 120.6113 59.3163 41.4256 174.0971 29 T 4.7709 8.4848 123.5291 61.7061 70.1879 173.0874 30 V 4.6955 9.3377 134.9812 62.5161 33.6604 177.5902 31 S 5.0189 8.5259 109.4255 58.2533 64.1009 176.2276 32 I 4.4181 7.4080 124.9732 59.9555 41.5249 172.9042 33 A 4.1187 8.6090 129.2465 53.2146 19.6652 177.6619 34 D 4.3748 8.1426 123.0053 55.2892 39.1078 173.8241 35 C 4.7592 7.7299 112.1477 57.9930 31.0652 172.7806 36 D 4.8936 9.0844 120.8964 52.8835 43.7496 174.1122 37 A 3.9345 8.4611 122.8011 52.6301 15.8112 172.6696 38 P 4.5557 0.0000 0.0000 61.9267 32.7488 176.4636 39 E 4.3921 8.8401 125.7837 55.2082 29.8534 175.6011 40 L 4.3689 8.3170 125.6974 55.9243 41.2740 177.3628 41 T 4.3385 8.4932 120.1285 62.3930 71.4625 173.6658 42 I 4.5892 7.8073 131.5707 59.6696 36.5127 176.2618 43 K 4.2725 8.1823 121.4158 55.6197 33.6434 177.2124 44 P 4.1948 0.0000 0.0000 64.8233 31.5201 177.1904 45 S 4.5378 7.9729 108.9141 57.8118 63.6388 172.5080 46 Y 5.4467 8.0358 115.6757 56.9884 42.4157 174.3785 47 I 5.0489 8.5584 120.9058 59.7783 41.3548 174.2707 48 E 5.3288 8.6617 125.7891 54.9498 33.1035 174.2047 49 L 5.1265 9.0185 127.0234 53.8910 46.1717 175.2185 50 K 5.4962 8.7090 127.0322 55.0458 33.2624 175.4058 51 A 4.5476 8.4566 120.9509 51.0486 19.4913 177.6076 52 Q 4.9064 8.4938 121.7155 55.3845 29.9333 175.1203 53 S 4.9049 8.9234 118.5276 57.5764 65.4813 174.9035 *54 K 4.4953 8.6285 127.0071 54.8159 28.7892 175.8483 *62 V 3.7363 7.6344 123.2952 62.5672 33.0337 174.2835 63 H 4.8148 7.9983 119.3447 54.3465 32.5152 172.0378 64 H 4.9739 8.6848 120.8399 55.1309 30.4355 173.6592 65 Y 5.2717 8.5020 120.3784 56.2082 40.3553 174.9746 66 Q 5.1913 8.7163 120.7107 54.6916 32.2302 174.3745 67 L 4.6324 8.9224 122.3511 54.2541 46.0250 173.7612 68 H 5.6452 8.8465 125.0509 54.5174 33.4198 172.2858 69 I 4.7089 8.7267 118.1181 59.3236 41.2690 173.8355 70 D 4.9573 8.8387 126.2650 54.0699 41.8276 176.2125 71 L 4.5957 8.7991 124.2499 54.8479 42.1500 176.5869 72 Y 4.0849 8.2940 121.7588 59.1042 39.4048 174.8752 73 K 4.1480 6.6111 115.5122 54.4625 36.2166 174.1334 74 E 4.2730 8.4850 121.2640 56.1251 29.7955 176.9321 75 I 4.3896 7.6351 122.3541 60.6004 40.4916 175.6370 76 I 4.5193 7.9571 121.1085 59.1145 38.4778 174.8773 77 P 4.3828 0.0000 0.0000 64.5116 31.6233 177.9461 78 E 4.0427 7.9564 119.4854 58.6251 29.9797 177.5757 79 K 4.4618 7.6917 120.6826 54.7085 30.9597 174.2462 80 T 4.9360 7.6442 114.3347 60.0912 71.0690 172.4693 81 M 4.9076 8.3325 125.6457 53.5851 33.9918 174.1101 82 H 5.1844 8.7956 117.7783 53.6956 31.2233 172.9442 83 K 4.5306 8.4122 120.1017 55.4434 36.7811 174.7281 84 V 4.2387 7.9544 118.9741 60.1748 32.9747 175.1782 85 A 4.3775 8.1795 127.7051 52.6236 20.5651 176.5200 86 N 4.2110 7.8962 118.1304 52.5316 43.2446 176.0253 87 G 4.3448 5.3800 102.0304 44.4606 0.0000 173.6099 *90 Y 4.7312 7.5681 118.0222 56.8091 40.5834 175.8421 91 F 4.4584 8.8616 123.9155 57.8589 41.2367 173.6686 92 L 5.3691 8.2539 127.6290 53.4364 44.8157 174.8497 93 K 5.0776 9.0639 125.0598 55.2537 36.0955 174.4058 94 L 4.6076 7.5821 123.3184 54.1652 46.0036 173.7505 95 Y 5.1119 8.7719 122.1230 56.5720 42.5444 174.2984 96 K 4.7470 8.8431 123.9591 56.4785 33.8811 177.2506 97 K 5.0727 8.6608 126.0680 56.1509 34.4128 176.1185 98 D 5.1306 8.4859 114.1080 53.3745 42.3069 174.0586 99 L 4.1960 7.2750 125.1039 55.3817 43.8602 175.6004 100 E 4.6126 9.7216 114.0979 57.2383 33.8223 177.1339 101 S 4.5567 7.6110 110.4050 57.4914 62.7860 171.6397 102 E 3.0461 7.4936 118.5664 54.9763 32.9521 175.7898 103 Y 4.6890 7.5236 117.3426 55.7546 39.7308 174.6563 104 W 4.0536 8.9439 126.2320 55.7262 29.6206 174.6766 105 P 4.4854 0.0000 0.0000 63.1103 31.3360 175.2517 106 R 4.3517 6.8546 113.9437 56.3552 31.6845 173.6517 107 L 4.7074 8.1449 118.6196 56.9655 42.9790 176.5329 108 T 5.3923 7.7203 107.5019 60.2438 71.0653 173.4583 109 K 4.6992 8.2450 116.7711 55.8176 33.1916 174.5919 110 E 4.3008 7.7891 117.9528 56.8892 31.6144 174.6488 111 K 4.3240 8.6681 122.4384 55.7083 32.1148 178.1858 112 V 4.4091 8.1831 121.9588 60.1820 29.9424 176.0010 113 K 4.4733 7.6224 124.6764 55.6891 32.8081 175.4844 114 Y 3.9871 7.9997 115.9979 56.8688 37.8710 175.3026 115 P 4.3564 0.0000 0.0000 65.5733 31.7724 177.0671 116 Y 4.4207 7.8102 115.5691 57.3293 38.8750 174.5044 117 I 4.3498 6.3440 122.4622 60.5127 37.6001 175.4798 118 K 4.6937 8.5885 125.8498 54.4850 36.7058 175.9163 119 T 3.9701 8.0761 118.8055 63.3786 69.3195 174.9573 120 D 4.4333 8.1598 126.2497 52.8523 39.8219 176.7298 121 F 4.4155 8.1193 124.1931 59.4769 39.5691 176.7270 122 D 4.5660 8.3008 119.8726 57.1180 41.0624 177.3347 123 K 4.2671 8.0668 115.8284 57.4510 32.9276 177.3136 124 W 4.1804 8.1854 128.8368 58.0039 30.8332 174.6250 125 V 2.9257 6.8782 117.2749 61.2944 37.2345 175.4833 126 D 3.7874 8.4359 114.3764 55.1168 40.0285 173.7407 127 A 4.1335 8.2065 124.5490 52.6852 18.0969 178.4272 128 D 5.5436 7.0239 114.0139 52.2595 41.1260 177.3321 129 E 3.7060 7.7254 116.9488 60.1048 29.9524 178.1732 130 Q 4.4853 8.0091 119.9394 56.3163 30.0920 176.2238 131 D 4.9841 7.5197 117.8195 52.7387 39.4955 177.1023 132 E 4.7837 7.7514 114.0573 56.3174 32.0070 175.8415 133 V 4.0343 7.5806 118.9842 61.0772 29.6311 174.4083 134 E 4.6650 7.5078 119.3031 54.3661 32.7902 176.1606 135 A 4.1504 8.5040 122.6591 52.6400 18.5209 177.4514 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 12 W 8.27 5.09 0.00 3.49 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.78 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.93 4.70 0.00 1.74 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.98 0.00 0.00 0.00 0.00 0.00 1.49 1.90 0.00 15 R 8.68 4.13 0.00 1.78 1.76 0.00 2.80 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.00 16 S 8.30 5.07 0.00 3.97 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 9.00 5.00 0.00 3.85 3.83 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 0.00 0.00 0.00 18 T 8.01 4.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 19 T 8.33 4.30 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 1.21 0.00 0.00 20 D 7.63 5.80 0.00 2.77 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 21 P 0.00 4.29 0.00 2.11 1.63 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 22 E 7.47 4.31 0.00 1.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 23 R 8.51 3.91 0.00 1.89 1.94 0.00 3.37 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 24 N 7.99 5.00 0.00 2.97 3.02 0.00 0.00 5.60 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 25 Y 6.91 5.26 0.00 3.18 3.01 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 26 V 9.13 4.68 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 0.99 0.00 0.00 -0.20 0.00 0.00 27 L 9.83 5.26 0.00 1.69 1.64 0.94 0.09 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 28 I 8.98 4.87 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.99 0.00 0.00 29 T 8.48 4.77 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 0.59 0.00 0.00 30 V 9.34 4.70 2.19 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 0.76 0.00 0.00 1.08 0.00 0.00 31 S 8.53 5.02 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 32 I 7.41 4.42 1.37 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.39 0.82 0.00 0.00 33 A 8.61 4.12 1.26 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 0.00 0.00 34 D 8.14 4.37 0.00 2.74 2.67 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 35 C 7.73 4.76 0.00 3.27 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 36 D 9.08 4.89 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.46 3.93 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.56 0.00 2.30 2.61 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 39 E 8.84 4.39 0.00 2.07 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 2.41 2.38 0.00 40 L 8.32 4.37 0.00 1.58 1.63 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.49 4.34 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 42 I 7.81 4.59 1.93 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 1.47 0.91 1.02 0.00 0.00 43 K 8.18 4.27 0.00 2.20 1.96 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.51 7.81 44 P 0.00 4.19 0.00 2.16 2.11 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 45 S 7.97 4.54 0.00 3.58 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 46 Y 8.04 5.45 0.00 2.94 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 47 I 8.56 5.05 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 0.98 0.91 0.97 0.00 0.00 48 E 8.66 5.33 0.00 2.07 1.80 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 2.25 2.31 0.00 49 L 9.02 5.13 0.00 1.60 1.33 0.45 0.23 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 50 K 8.71 5.50 0.00 1.79 1.87 0.00 1.68 0.00 0.00 2.40 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.31 7.81 51 A 8.46 4.55 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 52 Q 8.49 4.91 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 53 S 8.92 4.90 0.00 4.27 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 *54 K 8.63 4.50 0.00 1.53 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *62 V 7.63 3.74 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 0.89 0.00 0.00 0.90 0.00 0.00 63 H 8.00 4.81 0.00 2.94 2.64 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.68 4.97 0.00 3.15 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.50 5.27 0.00 3.27 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 66 Q 8.72 5.19 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 67 L 8.92 4.63 0.00 1.69 1.48 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.85 5.65 0.00 3.13 3.14 0.00 5.94 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.73 4.71 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.65 0.90 0.00 0.00 70 D 8.84 4.96 0.00 2.93 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 71 L 8.80 4.60 0.00 1.44 1.67 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.29 4.08 0.00 2.98 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 0.00 0.00 0.00 73 K 6.61 4.15 0.00 0.96 1.52 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.00 0.85 7.81 74 E 8.49 4.27 0.00 1.89 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 2.25 2.37 0.00 75 I 7.64 4.39 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.90 0.00 0.00 76 I 7.96 4.52 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.38 0.98 0.00 0.00 77 P 0.00 4.38 0.00 2.07 2.35 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 78 E 7.96 4.04 0.00 1.91 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 2.35 2.41 0.00 79 K 7.69 4.46 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.35 7.81 80 T 7.64 4.94 4.55 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 1.42 0.00 0.00 81 M 8.33 4.91 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 82 H 8.80 5.18 0.00 3.49 3.48 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.41 4.53 0.00 1.65 1.75 0.00 1.16 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.17 1.21 7.81 84 V 7.95 4.24 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 0.63 0.00 0.00 0.87 0.00 0.00 85 A 8.18 4.38 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 86 N 7.90 4.21 0.00 2.71 2.57 0.00 0.00 5.78 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 87 G 5.38 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 0.00 0.00 0.00 0.00 *90 Y 7.57 4.73 0.00 3.16 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 91 F 8.86 4.46 0.00 3.17 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 92 L 8.25 5.37 0.00 1.86 1.41 0.89 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 93 K 9.06 5.08 0.00 2.03 1.55 0.00 1.98 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.55 7.81 94 L 7.58 4.61 0.00 1.58 1.19 0.57 0.76 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 95 Y 8.77 5.11 0.00 2.96 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 96 K 8.84 4.75 0.00 1.91 1.74 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.73 7.81 97 K 8.66 5.07 0.00 1.86 2.03 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.37 1.50 7.81 98 D 8.49 5.13 0.00 2.76 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 99 L 7.27 4.20 0.00 1.95 1.45 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.72 4.61 0.00 1.87 1.89 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 2.21 2.38 0.00 101 S 7.61 4.56 0.00 3.95 3.81 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 0.00 102 E 7.49 3.05 0.00 1.76 1.58 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 0.00 2.07 2.02 0.00 103 Y 7.52 4.69 0.00 3.04 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 0.00 104 W 8.94 4.05 0.00 3.07 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 0.00 105 P 0.00 4.49 0.00 2.16 2.15 0.00 2.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 106 R 6.85 4.35 0.00 1.90 1.93 0.00 3.14 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.60 0.00 107 L 8.14 4.71 0.00 1.74 1.69 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.72 5.39 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 109 K 8.24 4.70 0.00 1.69 1.85 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.37 7.81 110 E 7.79 4.30 0.00 2.17 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 2.41 2.62 0.00 111 K 8.67 4.32 0.00 1.73 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.49 7.81 112 V 8.18 4.41 2.17 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 0.84 0.00 0.00 0.99 0.00 0.00 113 K 7.62 4.47 0.00 1.61 1.64 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.39 7.81 114 Y 8.00 3.99 0.00 2.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.36 0.00 2.28 2.23 0.00 3.84 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 2.28 2.05 0.00 116 Y 7.81 4.42 0.00 3.27 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 0.00 117 I 6.34 4.35 1.52 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.13 0.76 0.00 0.00 118 K 8.59 4.69 0.00 1.66 1.60 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.38 7.81 119 T 8.08 3.97 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 0.58 0.00 0.00 120 D 8.16 4.43 0.00 2.57 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.12 4.42 0.00 3.09 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 0.00 122 D 8.30 4.57 0.00 2.72 2.88 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 0.00 123 K 8.07 4.27 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.49 7.81 124 W 8.19 4.18 0.00 3.16 3.16 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 0.00 125 V 6.88 2.93 1.65 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 0.55 0.00 0.00 0.74 0.00 0.00 126 D 8.44 3.79 0.00 2.46 2.53 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 0.00 127 A 8.21 4.13 1.35 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 0.00 0.00 128 D 7.02 5.54 0.00 2.54 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 0.00 129 E 7.73 3.71 0.00 2.01 1.76 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 2.30 2.30 0.00 130 Q 8.01 4.49 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.52 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 131 D 7.52 4.98 0.00 2.84 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 0.00 132 E 7.75 4.78 0.00 2.03 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 2.15 2.20 0.00 133 V 7.58 4.03 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 0.87 0.00 0.00 0.97 0.00 0.00 134 E 7.51 4.67 0.00 2.13 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 0.00 2.25 2.29 0.00 135 A 8.50 4.15 1.25 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.