NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2760 8.1133 120.8586 56.2423 32.2118 177.3268 5 I 3.9748 7.4549 117.9195 61.6403 37.3562 174.7322 6 E 3.9482 8.4197 118.5327 59.4555 29.5144 178.5576 7 D 4.2895 7.9546 118.2490 57.7099 41.5512 177.7095 8 H 4.3230 7.7095 115.5503 59.0353 28.6834 177.8981 9 I 3.8382 8.1165 121.9194 64.2549 36.9340 178.6366 10 S 4.1355 7.8406 116.2712 61.4421 61.9578 176.4480 11 F 4.1685 8.3957 123.2777 61.3497 39.1605 176.6224 12 L 4.1352 8.0932 119.9177 58.4821 41.7243 178.9401 13 E 3.9431 8.1355 118.1007 59.1289 29.3563 179.2847 14 K 3.8969 8.3476 120.1990 59.2812 32.3034 178.5287 15 F 3.8838 9.0775 121.1844 61.4952 39.1125 177.2705 16 I 3.5726 8.0613 119.6150 64.0445 36.8113 177.9173 17 N 4.2203 8.1445 118.1327 56.8402 38.7090 176.7602 18 D 4.3015 8.3883 120.7326 57.1653 40.8564 178.9422 19 V 3.3674 7.3607 118.9108 65.8655 31.2303 177.9328 20 N 4.3053 7.9976 115.4879 56.4140 38.6914 177.1788 21 T 3.9614 8.1501 117.5421 66.7156 68.6095 176.1607 22 L 3.9207 8.0707 122.2440 58.7694 41.7997 179.2396 23 T 3.9723 8.0827 115.0444 66.0823 68.1020 176.7765 24 A 4.0886 7.6078 122.4480 54.8852 18.4837 179.5373 25 K 4.1139 7.8818 116.4447 59.4556 32.3126 179.1287 26 L 4.2513 7.7766 116.5301 56.1741 41.7358 177.5042 27 L 4.7169 7.4857 116.2674 53.7203 43.6621 178.1152 28 K 4.0040 7.9275 120.7450 59.9007 31.9866 177.8396 29 D 4.4579 8.2428 118.3498 57.6835 40.6691 178.9588 30 L 4.1765 7.9146 119.9324 58.3684 42.1952 178.8692 31 Q 3.9777 8.5453 118.3189 58.9823 28.5325 178.6839 32 T 3.8901 8.4241 117.3524 66.6028 68.3071 175.8305 33 E 3.9472 8.2172 119.9933 59.8294 29.7259 177.9890 34 Y 4.2372 8.4257 112.9860 57.1569 37.9866 175.6691 35 G 4.0210 8.1666 108.2025 46.7242 0.0000 173.6740 36 I 4.5126 8.2088 111.5144 58.1181 40.6276 175.6286 37 S 4.5197 8.1558 116.3083 57.3008 65.5038 175.1202 38 A 4.0159 8.3566 123.5648 55.2713 18.2785 179.5826 39 E 3.9121 8.1840 115.7092 59.8313 29.3111 179.3020 40 Q 4.0016 7.7040 117.7143 58.5179 28.9267 178.2922 41 S 4.2447 8.0336 114.2103 61.8099 62.6508 175.4088 42 H 3.9751 8.5079 121.1205 59.6853 29.0789 177.1390 43 V 3.6887 7.8270 119.2319 66.0000 31.0767 177.9696 44 L 3.8652 8.0340 118.2737 57.3537 41.6451 178.4630 45 N 4.4605 8.0679 116.8723 56.4748 38.8362 176.8352 46 M 4.1257 7.9985 119.8731 57.7250 32.0713 177.5036 47 L 5.2299 7.5227 117.7691 55.0101 42.0909 178.5404 48 S 4.3399 7.4833 115.2168 61.6083 63.2990 175.8742 49 I 3.9812 7.6021 122.8632 61.8230 37.4998 175.3197 50 E 4.6826 8.1165 115.6751 54.6544 33.0101 173.9384 51 A 4.8556 8.3834 122.7888 50.6075 20.5703 176.5880 52 L 4.7884 7.9922 121.3120 53.9288 43.7038 176.2855 53 T 4.3803 8.1208 110.0524 60.7801 70.7491 174.7229 54 V 3.6782 8.5842 120.0047 66.3904 30.6296 178.0997 55 G 4.0129 8.2976 108.6151 48.8681 0.0000 175.1958 56 Q 4.2550 8.0000 118.5180 57.2543 29.0978 178.0030 57 I 3.6780 7.7571 118.1068 63.8488 37.8083 177.2625 58 T 3.8430 7.7701 112.9956 63.9140 67.3263 176.0322 59 E 3.9841 7.3828 118.4482 58.8215 29.6316 178.8102 60 K 4.1385 7.6101 118.0442 59.3978 32.4747 178.6329 61 Q 3.8015 7.6777 114.5451 56.2675 28.4741 176.1344 62 G 3.3926 6.2176 119.6927 45.8475 0.0000 174.3856 63 V 3.7667 7.5349 121.2752 62.4269 32.4729 176.7588 64 N 4.7177 8.5663 125.1158 51.8659 37.8901 175.5807 65 K 3.5748 8.9648 124.1206 58.8448 32.3027 176.8535 66 A 3.6987 9.0093 123.6207 52.8402 17.3528 178.2386 67 A 4.0172 7.9769 116.8214 55.0247 18.4702 179.8819 68 V 3.6456 7.6340 116.1353 66.3236 31.8483 178.0211 69 S 4.0581 8.1447 112.2623 61.5551 61.9111 176.2177 70 R 4.0166 7.8835 120.4126 58.9754 29.7129 179.0772 71 R 3.9698 8.1975 118.4572 58.8087 30.0476 179.0907 72 V 3.5653 7.6812 117.6569 66.1444 31.7717 178.2195 73 K 4.0553 8.1030 117.9087 58.9720 30.2215 179.6598 74 K 3.9956 7.7186 119.4159 59.4597 32.0494 179.2970 75 L 4.3229 8.1845 119.1652 57.3523 41.5222 179.4763 76 L 4.2975 7.9311 120.7509 57.3059 41.3357 179.1259 77 N 4.4543 8.0652 114.8817 55.2570 38.5155 176.1887 78 A 4.4509 7.2009 118.8935 51.1274 19.3904 176.8366 79 E 3.8096 7.8177 115.8015 57.3636 27.5287 175.4694 80 L 4.4199 7.8237 121.1731 56.0615 43.1526 176.9348 81 V 4.6492 7.6593 118.2157 60.9069 34.8924 174.4034 82 K 4.7558 8.5046 126.1523 54.4568 34.6766 176.2269 83 L 4.2948 8.3181 122.8732 54.8019 42.2301 176.5128 *96 I 3.8447 7.7180 120.2883 56.9057 38.8699 174.9071 97 I 3.4130 8.0437 123.5435 61.9155 38.4796 174.0245 98 K 4.6406 8.9238 124.6620 56.5618 34.1515 179.1699 99 L 4.7100 8.7255 115.9494 53.7715 45.4587 173.9176 100 S 4.6786 8.3614 120.7750 57.4393 65.0371 174.3653 101 N 4.4084 8.7069 117.1778 56.7727 38.5709 176.9670 102 K 4.2428 8.1023 120.9692 59.1616 32.4731 178.9412 103 G 3.6369 7.9576 105.8857 47.4249 0.0000 175.6321 104 K 3.9538 8.0051 120.5460 59.1469 32.0730 179.0332 105 K 3.8921 7.7613 118.5055 59.9583 31.8857 177.5773 106 Y 3.7714 7.5482 118.9009 60.9454 38.3294 178.0271 107 I 3.5220 7.5888 119.6101 64.3676 37.2602 178.2758 108 K 4.1598 8.0704 118.9909 59.6708 31.8242 178.8133 109 E 3.8722 8.6489 119.5036 59.1948 29.5140 178.7582 110 R 3.6117 8.4483 119.5430 59.4149 30.0690 178.5563 111 K 3.8377 8.8258 119.0116 59.3541 32.0775 178.9638 112 A 3.9442 8.2311 121.3048 55.3091 18.1231 179.8726 113 I 3.6235 7.4487 117.9672 64.8209 37.2936 178.5043 114 M 4.0466 8.0028 119.4655 58.5119 31.7770 179.1482 115 S 4.0652 8.4618 115.4498 61.9482 63.0939 176.0505 116 H 4.0928 8.0671 118.7394 59.4002 28.3095 177.8587 117 I 3.7420 7.3771 119.6216 64.3232 37.3052 178.1567 118 A 4.1659 8.0456 121.6424 54.9511 18.0632 179.6089 119 S 4.1632 8.6190 112.3304 61.5920 62.4802 175.8157 120 D 4.5052 8.0599 119.8019 56.2579 40.8133 177.2216 121 M 4.6071 7.4764 115.8159 55.4178 33.8793 175.3667 122 T 4.8862 8.5908 111.8874 62.0682 69.1956 175.2263 123 S 4.2749 8.3353 114.9873 60.9020 62.8022 174.4240 124 D 4.6252 7.7674 118.6726 53.1998 39.9667 176.4522 125 F 4.5364 7.8786 119.1453 57.1068 40.0253 174.1044 126 D 4.8172 9.7381 122.7149 53.2143 42.2029 177.4149 127 S 4.0946 8.8451 122.3959 61.6169 62.9105 176.5753 128 K 3.8477 7.8151 122.7923 59.2382 31.7762 178.1451 129 E 3.9108 8.4099 119.0821 59.7146 29.4333 179.4611 130 I 3.5639 7.6372 118.6567 64.4984 37.2723 177.8885 131 E 3.9123 8.0723 119.2251 59.6642 29.2343 179.5705 132 K 4.0128 8.0818 119.1815 59.3880 32.1602 179.0370 133 V 3.5011 7.3591 118.6564 65.7039 31.3285 177.9272 134 R 3.8224 7.9589 118.4461 59.7777 30.0298 178.4094 135 Q 3.5219 8.4819 118.0777 59.0090 28.5210 179.2109 136 V 3.7530 7.4928 118.9928 65.2489 31.6488 177.9736 137 L 4.1148 7.9027 118.8350 57.1489 41.4818 179.0425 138 E 3.9536 9.0660 119.9162 59.5700 29.5992 179.0583 139 I 3.6706 7.5653 118.0446 64.4133 37.9667 177.9482 140 I 3.8548 7.6940 120.4244 64.1721 36.9186 177.8289 141 D 4.4118 8.2712 119.0905 57.1397 41.0420 177.6706 142 Y 4.0807 8.2634 120.6160 60.6798 38.8211 178.0495 143 R 4.5825 8.0318 119.8943 58.5856 30.1353 178.5916 144 I 3.6847 7.9047 119.8104 64.3116 36.9155 178.0294 145 Q 4.1270 8.1562 118.6508 59.4378 28.2907 179.6205 146 S 3.6777 7.6950 114.3160 61.6680 62.4054 175.9316 147 Y 3.9716 7.8009 122.0049 60.3858 38.8822 177.1214 148 T 4.1309 8.7752 117.9526 66.7594 68.4171 176.2535 149 S 4.1089 8.7476 115.8636 61.4697 63.9815 176.6372 150 K 4.1218 7.8698 120.6115 60.9234 28.2644 176.8509 151 L 4.5107 6.5670 123.7509 56.3896 42.8115 175.0543 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 R 8.11 4.28 0.00 1.83 1.98 0.00 3.34 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 5 I 7.45 3.97 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.09 0.93 0.00 0.00 6 E 8.42 3.95 0.00 2.24 2.23 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 2.37 2.44 0.00 7 D 7.95 4.29 0.00 2.78 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 8 H 7.71 4.32 0.00 3.49 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.12 3.84 2.08 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 1.54 1.31 0.92 0.00 0.00 10 S 7.84 4.14 0.00 4.00 3.96 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 11 F 8.40 4.17 0.00 3.18 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 12 L 8.09 4.14 0.00 1.94 1.68 0.90 0.89 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 13 E 8.14 3.94 0.00 2.34 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 2.32 2.47 0.00 14 K 8.35 3.90 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.46 7.81 15 F 9.08 3.88 0.00 2.20 2.87 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 16 I 8.06 3.57 1.90 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 1.42 0.58 0.87 0.00 0.00 17 N 8.14 4.22 0.00 2.91 2.90 0.00 0.00 7.19 8.01 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 18 D 8.39 4.30 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.37 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 0.89 0.00 0.00 0.28 0.00 0.00 20 N 8.00 4.31 0.00 2.91 2.82 0.00 0.00 7.08 7.26 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 21 T 8.15 3.96 4.32 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 1.19 0.00 0.00 22 L 8.07 3.92 0.00 1.75 1.81 0.91 1.08 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 23 T 8.08 3.97 4.21 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 1.17 0.00 0.00 24 A 7.61 4.09 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 25 K 7.88 4.11 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 26 L 7.78 4.25 0.00 1.70 1.72 0.98 1.00 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 27 L 7.49 4.72 0.00 1.80 1.69 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.93 4.00 0.00 1.96 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 D 8.24 4.46 0.00 2.76 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 30 L 7.91 4.18 0.00 1.87 1.96 1.28 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.55 3.98 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 32 T 8.42 3.89 4.50 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 0.00 0.00 0.00 1.22 0.00 0.00 33 E 8.22 3.95 0.00 2.14 2.41 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 2.12 2.31 0.00 34 Y 8.43 4.24 0.00 2.69 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 35 G 8.17 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 36 I 8.21 4.51 1.77 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.84 0.00 0.00 37 S 8.16 4.52 0.00 4.24 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 38 A 8.36 4.02 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 39 E 8.18 3.91 0.00 2.17 2.22 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 2.36 2.35 0.00 40 Q 7.70 4.00 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 41 S 8.03 4.24 0.00 3.98 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 42 H 8.51 3.98 0.00 3.26 3.45 0.00 5.66 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 43 V 7.83 3.69 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 0.99 0.00 0.00 1.03 0.00 0.00 44 L 8.03 3.87 0.00 1.94 1.83 0.78 1.25 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 45 N 8.07 4.46 0.00 2.80 2.77 0.00 0.00 7.09 7.17 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 46 M 8.00 4.13 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.75 0.00 47 L 7.52 5.23 0.00 1.75 1.81 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.48 4.34 0.00 3.96 4.15 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 49 I 7.60 3.98 2.03 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 1.68 0.67 0.91 0.00 0.00 50 E 8.12 4.68 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 2.18 2.25 0.00 51 A 8.38 4.86 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.99 4.79 0.00 1.70 1.59 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.12 4.38 4.24 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 1.29 0.00 0.00 54 V 8.58 3.68 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 0.96 0.00 0.00 0.93 0.00 0.00 55 G 8.30 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 56 Q 8.00 4.25 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 57 I 7.76 3.68 2.12 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 1.41 1.23 0.96 0.00 0.00 58 T 7.77 3.84 4.24 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 1.26 0.00 0.00 59 E 7.38 3.98 0.00 1.97 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 2.32 2.35 0.00 60 K 7.61 4.14 0.00 1.72 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 61 Q 7.68 3.80 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 62 G 6.22 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.53 3.77 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 64 N 8.57 4.72 0.00 2.73 2.62 0.00 0.00 7.15 7.61 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 65 K 8.96 3.57 0.00 1.77 1.80 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.42 7.81 66 A 9.01 3.70 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 67 A 7.98 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 68 V 7.63 3.65 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 1.11 0.00 0.00 0.92 0.00 0.00 69 S 8.14 4.06 0.00 3.92 3.86 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 70 R 7.88 4.02 0.00 2.08 1.95 0.00 3.17 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 71 R 8.20 3.97 0.00 2.03 1.97 0.00 3.17 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 72 V 7.68 3.57 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 1.07 0.00 0.00 0.96 0.00 0.00 73 K 8.10 4.06 0.00 2.03 1.84 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 74 K 7.72 4.00 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.71 7.81 75 L 8.18 4.32 0.00 1.85 1.70 0.97 0.47 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 76 L 7.93 4.30 0.00 1.89 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.07 4.45 0.00 3.00 2.88 0.00 0.00 6.94 7.14 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 78 A 7.20 4.45 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 79 E 7.82 3.81 0.00 2.18 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 2.23 2.27 0.00 80 L 7.82 4.42 0.00 1.82 1.70 0.84 0.77 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 81 V 7.66 4.65 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 1.09 0.00 0.00 0.94 0.00 0.00 82 K 8.50 4.76 0.00 1.74 1.69 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 83 L 8.32 4.29 0.00 1.64 1.60 0.92 0.84 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 *96 I 7.72 3.84 1.93 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 1.47 0.48 0.91 0.00 0.00 97 I 8.04 3.41 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 1.47 0.60 0.91 0.00 0.00 98 K 8.92 4.64 0.00 1.71 0.90 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.35 7.81 99 L 8.73 4.71 0.00 1.63 1.52 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.36 4.68 0.00 3.89 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 0.00 101 N 8.71 4.41 0.00 2.81 2.82 0.00 0.00 6.56 6.68 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 0.00 102 K 8.10 4.24 0.00 1.90 1.96 0.00 1.79 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.57 7.81 103 G 7.96 3.64 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 0.00 104 K 8.01 3.95 0.00 2.07 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 105 K 7.76 3.89 0.00 2.02 2.03 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.63 7.81 106 Y 7.55 3.77 0.00 2.66 2.97 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 0.00 107 I 7.59 3.52 1.81 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 1.47 0.42 0.83 0.00 0.00 108 K 8.07 4.16 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.70 7.81 109 E 8.65 3.87 0.00 2.17 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 2.37 2.36 0.00 110 R 8.45 3.61 0.00 0.92 1.58 0.00 2.75 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 111 K 8.83 3.84 0.00 1.73 1.79 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.55 7.81 112 A 8.23 3.94 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 0.00 113 I 7.45 3.62 1.94 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 1.50 0.91 0.90 0.00 0.00 114 M 8.00 4.05 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.87 0.00 115 S 8.46 4.07 0.00 3.90 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 0.00 116 H 8.07 4.09 0.00 3.42 3.39 0.00 5.81 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 0.00 117 I 7.38 3.74 1.88 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 1.83 0.75 0.92 0.00 0.00 118 A 8.05 4.17 1.43 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 0.00 119 S 8.62 4.16 0.00 3.87 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 0.00 120 D 8.06 4.51 0.00 2.69 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 0.00 121 M 7.48 4.61 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 122 T 8.59 4.89 4.52 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 1.33 0.00 0.00 123 S 8.34 4.27 0.00 4.02 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 0.00 124 D 7.77 4.63 0.00 2.61 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 0.00 125 F 7.88 4.54 0.00 3.31 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 0.00 126 D 9.74 4.82 0.00 2.86 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 0.00 127 S 8.85 4.09 0.00 4.10 4.15 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 0.00 128 K 7.82 3.85 0.00 2.08 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.64 7.81 129 E 8.41 3.91 0.00 2.26 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 2.37 2.42 0.00 130 I 7.64 3.56 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.86 0.00 0.00 131 E 8.07 3.91 0.00 2.23 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 2.33 2.45 0.00 132 K 8.08 4.01 0.00 1.94 1.92 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 133 V 7.36 3.50 2.22 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 0.83 0.00 0.00 0.84 0.00 0.00 134 R 7.96 3.82 0.00 1.94 2.10 0.00 3.21 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 135 Q 8.48 3.52 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 136 V 7.49 3.75 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 1.00 0.00 0.00 0.93 0.00 0.00 137 L 7.90 4.11 0.00 1.86 1.69 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 138 E 9.07 3.95 0.00 2.07 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 2.34 2.50 0.00 139 I 7.57 3.67 1.98 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 1.56 1.28 0.97 0.00 0.00 140 I 7.69 3.85 1.97 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 1.42 0.84 0.92 0.00 0.00 141 D 8.27 4.41 0.00 2.89 2.87 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 0.00 142 Y 8.26 4.08 0.00 3.19 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 0.00 143 R 8.03 4.58 0.00 1.99 2.02 0.00 3.39 0.00 0.00 3.33 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 144 I 7.90 3.68 2.08 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 1.47 1.05 0.91 0.00 0.00 145 Q 8.16 4.13 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 146 S 7.70 3.68 0.00 3.89 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 0.00 147 Y 7.80 3.97 0.00 3.17 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 0.00 148 T 8.78 4.13 4.39 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 0.00 0.00 0.00 1.24 0.00 0.00 149 S 8.75 4.11 0.00 3.84 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 0.00 150 K 7.87 4.12 0.00 1.68 1.64 0.00 1.70 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.39 7.81 151 L 6.57 4.51 0.00 1.64 1.71 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.