NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 E 4.3668 8.4029 116.7535 56.0915 31.8677 176.1794 36 Q 4.2665 8.3714 112.0243 57.7278 30.9134 173.7527 37 I 3.7241 8.3812 116.9169 63.5280 35.3962 179.8603 38 V 4.3819 7.7678 119.2376 60.7798 31.2859 180.4187 39 K 4.4245 8.0786 127.8914 58.1020 31.8498 181.1645 *40 Y 4.7540 7.0085 113.6278 56.5113 36.6150 179.7076 41 A 4.4758 7.8689 125.6903 53.4767 20.1529 180.8853 42 R 3.9388 7.9593 119.3390 60.1637 29.6807 185.0000 43 K 4.0790 8.1594 119.1164 57.4925 31.6794 179.4269 44 G 3.7788 7.5505 108.7479 48.7226 0.0000 174.5989 45 L 4.8357 7.7303 120.7339 51.9869 41.6297 177.8524 46 T 4.0198 7.8310 124.3447 62.0291 74.3914 174.6197 47 P 4.5340 0.0000 0.0000 62.3155 29.8560 176.3612 48 S 4.5539 8.0177 110.0705 59.8358 64.8815 173.4944 49 Q 3.5336 8.3420 119.4104 55.3214 24.2223 179.1388 50 I 4.8192 6.7958 126.5825 58.8553 37.9081 174.9672 51 G 3.9876 7.5875 112.0878 46.1307 0.0000 171.4053 52 V 3.4867 7.8718 125.6733 62.3494 30.7639 171.6881 53 L 4.4490 7.8763 120.5887 54.8347 41.0350 179.6998 54 L 4.2198 7.8185 129.4334 56.6403 45.9574 178.1470 55 R 4.7696 8.5474 128.5604 57.9992 27.4908 177.6659 56 D 4.6420 8.6518 121.3949 52.8738 41.7386 176.4640 57 A 4.4191 9.0781 121.7405 53.0439 17.6680 179.8558 *58 H 4.5365 7.6757 118.2885 53.6846 29.0276 174.7172 59 G 4.0540 8.3310 106.7824 47.2667 0.0000 173.3964 60 V 4.2110 8.0291 119.2421 60.6010 33.2429 170.8482 61 T 4.2460 8.4476 119.0529 60.4148 73.2290 173.6611 62 Q 3.2223 9.0367 112.5019 57.0806 27.9962 176.6523 63 A 3.8395 9.4907 125.2481 53.0336 19.5356 180.0685 64 R 4.5749 8.4540 123.5019 56.4506 31.2446 176.1824 65 V 3.4611 7.9116 120.2655 62.1653 29.8894 175.4765 66 I 3.6728 8.4794 117.1980 67.8998 35.2580 174.5236 67 T 4.5746 7.8945 112.8644 64.3407 68.3851 180.5907 68 G 3.8403 8.6059 109.1485 48.2300 0.0000 176.0364 69 N 4.3229 8.9924 121.7481 57.0835 37.1253 179.6881 70 K 4.4913 6.3061 127.6238 62.0024 32.6049 180.2335 71 I 3.4044 7.3203 115.4601 62.5938 36.3109 178.9603 72 M 4.6796 7.8945 123.0367 57.3984 32.8513 180.8404 73 R 4.2607 8.2072 121.7032 62.7200 29.5272 184.9294 74 I 4.2034 7.9480 121.3017 66.6137 35.7530 181.8377 75 L 3.9739 8.4065 125.1873 54.9228 40.4229 185.0000 76 K 3.9018 9.1359 123.5161 56.3853 31.7740 180.6603 77 S 4.4366 9.3457 112.0194 60.4656 61.7576 175.8631 78 N 4.3367 8.4201 114.8138 52.4823 35.1001 176.7900 79 G 4.0573 6.5931 107.6938 47.6469 0.0000 173.1747 80 L 4.6820 8.8625 120.9880 54.0843 42.6909 170.1583 81 A 4.3425 8.5413 121.6027 54.5429 21.4566 174.5947 82 P 5.4958 0.0000 0.0000 64.3390 29.4782 172.0845 83 E 3.9406 7.5308 115.7744 60.9468 30.0088 180.8823 84 I 3.7063 7.0965 115.3800 58.2540 37.0178 175.2589 85 P 4.9663 0.0000 0.0000 63.0209 31.6584 174.7891 86 E 3.5458 7.8387 117.8995 58.3427 30.9981 178.7735 87 D 4.6478 8.4049 123.6046 55.5699 40.8031 180.0704 88 L 4.6258 8.0731 118.9644 57.2651 43.4963 184.2295 *89 Y 4.3639 8.1225 119.8467 60.9944 36.8138 178.7258 *90 Y 4.7362 7.5892 122.6730 62.0761 39.4047 183.0568 91 L 4.2657 7.9497 126.5082 60.1947 40.7837 181.8434 92 I 4.1500 8.4688 122.2971 65.0191 35.0649 180.0677 93 K 4.4704 8.4261 126.4952 59.8128 31.8821 184.5780 94 K 4.2799 8.0518 120.1406 57.6280 31.7813 180.6841 95 A 4.2151 8.0993 122.4517 54.4603 18.5015 179.8076 96 V 4.0107 8.7842 120.4472 65.7325 31.8112 184.4147 97 S 4.4566 8.1598 120.7081 64.0327 61.9573 179.4713 98 V 4.0664 7.6228 122.1299 65.3617 31.6636 180.2065 99 R 4.8111 8.0335 116.5948 56.5507 31.6999 183.4871 100 K 4.0897 9.2332 127.2780 61.8530 31.6080 184.0700 *101 H 4.3344 8.3751 122.4675 60.4946 27.3675 179.5880 102 L 4.1803 8.1499 127.0774 60.2573 40.2909 181.7937 103 E 4.3647 8.2442 120.1078 60.9520 29.7738 181.7154 104 R 4.5983 7.9335 122.2803 61.7205 30.6931 180.7912 105 N 4.4199 8.7056 122.9526 56.4574 37.3053 179.8572 106 R 4.3655 8.1084 119.3717 56.8844 29.0768 179.9170 107 K 4.4379 7.7495 118.1730 57.0490 34.0799 183.5930 108 D 4.8296 7.9107 120.1117 53.6661 37.4492 181.3668 109 K 4.1325 8.1086 128.8144 58.4687 32.3408 181.2925 110 D 4.9224 8.1120 113.8470 53.5621 39.2768 179.4846 111 A 4.5753 8.6586 126.9356 54.6775 21.4184 180.3208 112 K 4.0189 8.2429 122.5301 60.6247 31.5147 181.3811 *113 F 4.4549 8.3329 122.8974 61.3804 38.0293 179.0895 114 R 4.7405 7.7282 119.8705 61.1621 29.6807 183.9899 115 L 4.4023 8.2944 125.0921 59.1727 40.6742 181.9781 116 I 4.3419 7.8142 121.2713 66.0690 35.5412 184.3557 117 L 4.3753 7.7284 126.2065 60.1059 41.0958 181.5546 118 I 3.9515 8.5292 124.1560 65.9314 35.0829 179.8846 119 E 4.4101 7.9096 120.3458 61.3199 29.6198 183.7727 120 S 4.3700 9.2729 122.7878 64.0889 62.3195 179.9683 121 R 4.2067 8.4648 124.8396 62.4842 29.0870 183.7264 122 I 3.9828 7.8760 122.9744 65.7980 35.6641 180.5684 *123 H 4.6509 8.6128 121.3769 60.7902 27.8631 182.1799 124 R 4.2763 8.0312 125.0722 62.8316 29.3039 180.2270 125 L 4.1524 8.9560 122.0979 58.0675 40.6032 184.7064 126 A 3.3907 8.9148 118.0888 52.7822 21.3670 181.0632 127 R 3.7807 7.7005 113.1551 59.6370 30.4739 183.1369 *128 Y 4.4755 7.7340 117.9438 56.8701 36.1193 178.3841 *129 Y 5.0187 9.2707 123.8782 59.7077 45.4472 180.6416 130 R 3.6416 8.2081 120.9753 59.0965 29.4556 179.7145 131 T 4.5820 7.7902 107.9941 61.5766 68.8034 180.1931 132 V 4.5124 8.0004 120.9157 61.9652 40.3000 178.7959 133 A 4.2074 8.1525 128.2349 53.9566 19.7622 178.4947 134 V 4.1131 7.5084 115.2929 60.9875 33.6747 180.3493 135 L 3.7624 8.2841 128.1298 53.3338 41.7108 172.5466 136 P 5.1296 0.0000 0.0000 62.0133 33.1734 171.3600 137 P 4.6218 0.0000 0.0000 63.6767 34.6547 177.9951 138 N 4.5329 9.7231 114.4943 53.7695 38.5970 177.2893 *139 W 3.5320 8.7468 119.5534 59.6869 26.9930 176.5815 140 K 4.1784 8.0881 121.1310 57.1806 31.5551 179.5322 *141 Y 4.3320 7.8331 115.3138 59.4034 39.6511 182.5871 142 E 3.8033 8.2241 120.1451 55.4154 29.1708 177.6756 143 S 4.5027 8.3725 106.5407 60.0136 61.7693 171.7684 144 A 4.0165 7.9253 126.3075 55.9702 18.7342 179.5218 145 T 3.3941 8.4789 115.2042 60.4234 65.4240 167.7457 146 A 4.7089 7.1260 124.6984 53.5165 22.2639 177.5300 147 S 4.2126 8.3670 111.9690 57.0591 65.0848 176.3533 148 A 3.9797 9.0278 132.6765 52.5118 17.9731 176.9766 149 L 4.8679 8.2426 124.0722 54.3089 43.8126 173.6866 150 V 4.5969 8.1184 115.6460 62.5887 38.5841 175.4148 151 N 4.5951 8.2711 119.4955 52.9979 37.3453 178.8205 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 35 E 8.40 4.37 0.00 1.91 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 2.21 1.88 0.00 36 Q 8.37 4.27 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 37 I 8.38 3.72 1.87 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 1.27 1.10 0.91 0.00 0.00 38 V 7.77 4.38 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 0.69 0.00 0.00 0.93 0.00 0.00 39 K 8.08 4.42 0.00 1.69 1.86 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.23 7.81 *40 Y 7.01 4.75 0.00 2.30 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 0.00 0.00 0.00 0.00 41 A 7.87 4.48 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 42 R 7.96 3.94 0.00 1.95 1.95 0.00 3.31 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 43 K 8.16 4.08 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 44 G 7.55 3.78 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 0.00 0.00 0.00 45 L 7.73 4.84 0.00 1.64 1.44 0.92 0.68 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 46 T 7.83 4.02 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 1.21 0.00 0.00 47 P 0.00 4.53 0.00 2.13 2.31 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.49 0.00 48 S 8.02 4.55 0.00 3.56 3.67 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 49 Q 8.34 3.53 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.58 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 50 I 6.80 4.82 1.87 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 1.35 0.31 0.91 0.00 0.00 51 G 7.59 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.87 3.49 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 0.69 0.00 0.00 0.93 0.00 0.00 53 L 7.88 4.45 0.00 1.62 1.58 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.82 4.22 0.00 1.58 1.52 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.55 4.77 0.00 1.96 2.09 0.00 3.07 0.00 0.00 3.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.00 56 D 8.65 4.64 0.00 2.64 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 0.00 0.00 0.00 57 A 9.08 4.42 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 *58 H 7.68 4.54 0.00 2.94 2.92 0.00 7.15 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 59 G 8.33 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 60 V 8.03 4.21 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 61 T 8.45 4.25 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 1.21 0.00 0.00 62 Q 9.04 3.22 0.00 2.07 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 63 A 9.49 3.84 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 64 R 8.45 4.57 0.00 1.81 1.77 0.00 3.36 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 65 V 7.91 3.46 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 0.63 0.00 0.00 0.93 0.00 0.00 66 I 8.48 3.67 1.87 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 1.50 0.53 0.91 0.00 0.00 67 T 7.89 4.57 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 1.21 0.00 0.00 68 G 8.61 3.84 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 0.00 0.00 0.00 69 N 8.99 4.32 0.00 2.74 2.61 0.00 0.00 6.94 7.71 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 70 K 6.31 4.49 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 71 I 7.32 3.40 1.87 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 1.16 1.08 0.91 0.00 0.00 72 M 7.89 4.68 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.13 0.00 73 R 8.21 4.26 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 74 I 7.95 4.20 1.87 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 1.38 1.10 0.91 0.00 0.00 75 L 8.41 3.97 0.00 1.64 1.61 0.92 0.75 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 76 K 9.14 3.90 0.00 1.87 1.12 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.23 7.81 77 S 9.35 4.44 0.00 3.62 3.77 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 78 N 8.42 4.34 0.00 2.83 2.73 0.00 0.00 6.75 7.51 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 79 G 6.59 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 80 L 8.86 4.68 0.00 1.62 1.30 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.54 4.34 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 82 P 0.00 5.50 0.00 2.21 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.30 0.00 83 E 7.53 3.94 0.00 1.99 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 2.24 1.94 0.00 84 I 7.10 3.71 1.87 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 1.27 0.91 0.91 0.00 0.00 85 P 0.00 4.97 0.00 1.94 1.92 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 86 E 7.84 3.55 0.00 1.95 1.86 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 2.24 1.85 0.00 87 D 8.40 4.65 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.07 4.63 0.00 1.56 1.63 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 8.12 4.36 0.00 2.40 2.24 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 0.00 *90 Y 7.59 4.74 0.00 2.27 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 91 L 7.95 4.27 0.00 1.64 1.72 0.92 0.94 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 92 I 8.47 4.15 1.87 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 1.38 1.10 0.91 0.00 0.00 93 K 8.43 4.47 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.31 7.81 94 K 8.05 4.28 0.00 1.67 1.89 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.05 7.81 95 A 8.10 4.22 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 96 V 8.78 4.01 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 0.77 0.00 0.00 0.93 0.00 0.00 97 S 8.16 4.46 0.00 3.72 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 98 V 7.62 4.07 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 0.90 0.00 0.00 0.93 0.00 0.00 99 R 8.03 4.81 0.00 1.69 1.86 0.00 3.24 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 100 K 9.23 4.09 0.00 1.69 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.33 7.81 *101 H 8.38 4.33 0.00 2.91 3.12 0.00 7.18 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.15 4.18 0.00 1.64 1.73 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.24 4.36 0.00 2.07 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 2.26 2.19 0.00 104 R 7.93 4.60 0.00 1.90 1.85 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 105 N 8.71 4.42 0.00 2.68 2.81 0.00 0.00 7.31 8.26 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 0.00 106 R 8.11 4.37 0.00 2.05 1.99 0.00 3.20 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 107 K 7.75 4.44 0.00 1.79 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.30 1.22 7.81 108 D 7.91 4.83 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.11 4.13 0.00 1.67 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.02 7.81 110 D 8.11 4.92 0.00 2.69 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 0.00 111 A 8.66 4.58 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 0.00 112 K 8.24 4.02 0.00 1.77 1.84 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.08 7.81 *113 F 8.33 4.45 0.00 2.36 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 0.00 0.00 0.00 114 R 7.73 4.74 0.00 1.78 1.92 0.00 3.23 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 0.00 115 L 8.29 4.40 0.00 1.63 1.71 0.92 1.23 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 0.00 116 I 7.81 4.34 1.87 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 1.38 0.55 0.91 0.00 0.00 117 L 7.73 4.38 0.00 1.65 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.53 3.95 1.87 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 1.38 0.53 0.91 0.00 0.00 119 E 7.91 4.41 0.00 2.04 1.90 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 2.24 2.19 0.00 120 S 9.27 4.37 0.00 3.68 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 0.00 121 R 8.46 4.21 0.00 1.80 1.95 0.00 3.26 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 122 I 7.88 3.98 1.87 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 1.38 1.10 0.91 0.00 0.00 *123 H 8.61 4.65 0.00 2.90 3.09 0.00 7.20 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 0.00 124 R 8.03 4.28 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 125 L 8.96 4.15 0.00 1.65 1.57 0.92 0.81 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 0.00 126 A 8.91 3.39 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.70 3.78 0.00 1.76 1.92 0.00 3.26 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 *128 Y 7.73 4.48 0.00 2.35 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 0.00 0.00 0.00 0.00 *129 Y 9.27 5.02 0.00 2.10 2.24 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 0.00 130 R 8.21 3.64 0.00 1.81 1.90 0.00 3.19 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 131 T 7.79 4.58 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 1.21 0.00 0.00 132 V 8.00 4.51 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 0.00 133 A 8.15 4.21 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 0.00 134 V 7.51 4.11 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 0.77 0.00 0.00 0.93 0.00 0.00 135 L 8.28 3.76 0.00 1.74 1.46 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 5.13 0.00 2.04 1.87 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 137 P 0.00 4.62 0.00 1.94 1.71 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.40 0.00 138 N 9.72 4.53 0.00 2.73 2.69 0.00 0.00 6.52 7.96 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 *139 W 8.75 3.53 0.00 2.65 2.24 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 0.00 140 K 8.09 4.18 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.02 7.81 *141 Y 7.83 4.33 0.00 2.27 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 0.00 0.00 0.00 0.00 142 E 8.22 3.80 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.85 0.00 143 S 8.37 4.50 0.00 3.65 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 0.00 144 A 7.93 4.02 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 0.00 145 T 8.48 3.39 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 1.21 0.00 0.00 146 A 7.13 4.71 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 0.00 147 S 8.37 4.21 0.00 3.58 3.61 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 0.00 0.00 0.00 0.00 148 A 9.03 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 0.00 149 L 8.24 4.87 0.00 1.65 1.43 0.92 0.79 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 0.00 150 V 8.12 4.60 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 0.79 0.00 0.00 0.93 0.00 0.00 151 N 8.27 4.60 0.00 2.73 2.63 0.00 0.00 6.52 7.56 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 * Residues marked with a * may have inaccurate shift predictions.