NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 V 3.9810 8.0501 120.3989 61.6917 33.3041 175.4014 33 A 4.4181 7.4499 124.3438 51.0427 26.3000 175.4304 34 D 5.1187 9.2247 118.2999 51.3490 46.1986 173.9788 35 R 5.2468 7.9773 116.1822 54.4016 32.9674 175.0860 36 Y 4.6359 9.0534 120.9918 56.0752 40.3237 174.7562 37 A 4.8290 8.7513 127.1766 51.5372 19.8911 176.5301 38 V 4.4487 9.3048 122.7925 61.3708 34.4329 174.5121 39 Y 4.9596 9.1707 127.1998 56.9519 37.8181 175.9591 40 W 4.3592 8.9721 135.0000 55.7747 28.7555 174.7182 41 N 5.5988 7.8924 120.0817 50.6830 40.7586 176.5651 42 S 4.3666 9.4622 114.5709 60.4229 63.3028 175.4611 43 S 4.3522 8.1119 116.8802 60.0835 63.3389 173.9683 44 N 4.5001 8.4030 120.7577 52.6875 39.0010 173.6656 45 P 4.2771 0.0000 0.0000 65.7740 30.9645 178.6169 46 R 3.4900 8.2227 116.9248 59.2284 29.8560 178.9083 47 F 4.1264 8.0712 116.8579 59.9425 38.8856 177.5860 48 Q 4.2690 7.7104 116.1057 57.5901 28.7287 177.5561 49 R 4.3011 7.6991 118.7024 55.7517 30.3744 178.2721 50 G 4.1221 8.0390 106.2541 45.6479 0.0000 173.7159 51 D 5.0526 7.5230 118.9629 52.6324 39.9947 175.4063 52 Y 4.4171 8.1468 121.7290 59.6724 39.3946 174.5096 53 H 5.5711 9.0942 120.9240 54.3825 31.8735 172.6701 54 I 4.4863 8.5947 113.0169 59.2396 40.8487 173.8856 55 D 5.1275 8.5619 125.0639 53.3040 41.8077 175.9869 56 V 4.3540 8.1492 116.3033 59.5264 36.0215 174.0388 57 C 5.1421 9.3819 118.7169 54.6125 43.7762 174.0533 58 I 3.9590 8.1157 120.8478 63.6669 36.9860 176.5154 59 N 4.3762 9.0885 121.1427 53.1388 37.4215 174.3550 60 D 5.5985 7.8833 118.3554 54.1176 42.6045 174.6669 61 Y 4.9262 9.4906 117.2947 56.1507 41.9071 174.8427 62 L 5.0901 8.7671 124.4939 53.6604 44.8785 175.0277 63 D 4.7941 9.0819 128.0661 52.5897 42.4636 175.6818 64 V 4.2671 8.1573 125.7130 62.0193 32.9747 174.8408 65 F 4.9101 9.2795 128.2759 55.8549 39.9562 175.1069 66 C 5.0497 8.9715 122.5631 55.9278 41.0300 172.3737 67 P 4.4182 0.0000 0.0000 63.9339 31.2332 174.8245 68 H 4.9007 8.5643 123.5625 54.3545 32.1307 172.0549 69 Y 4.8428 8.2402 122.7486 55.8408 41.4263 175.4246 70 E 4.3503 8.7901 121.7725 56.3067 30.8479 177.6156 71 D 4.4813 8.8387 120.0454 56.3520 41.3119 177.0738 72 S 4.6568 7.3189 114.3942 57.5224 63.2397 174.9754 73 V 4.3605 7.3025 119.2510 61.6553 34.2434 173.5318 74 P 4.4527 0.0000 0.0000 63.0813 30.9025 176.3682 75 E 4.5048 7.9678 115.6686 56.4772 27.6259 175.0497 76 D 4.6586 7.4900 119.4382 55.6745 42.2606 177.8760 77 K 4.1985 7.6969 114.9509 56.8748 32.8820 177.0168 78 T 2.7332 7.3653 117.7643 62.9782 68.8541 173.0844 79 E 4.6166 8.6014 126.4578 55.2175 31.0716 175.9107 80 R 4.8464 7.7489 120.6639 54.7389 34.6470 173.7486 81 Y 5.3767 8.5919 119.2816 56.3847 43.2804 174.1699 82 V 4.6171 8.6322 121.6661 61.2602 33.9168 174.3323 83 L 4.9449 8.7560 128.4721 53.6599 43.6550 175.2578 84 Y 5.0306 9.1636 120.7935 56.3164 42.0424 174.3020 85 M 4.6276 8.8927 123.5318 54.7480 33.5132 175.3502 86 V 5.7068 9.0161 119.1804 58.6934 36.4940 174.3528 87 N 4.8140 8.3705 118.0934 51.8054 38.7792 173.9262 88 F 3.7675 7.9266 118.3062 60.5483 39.0387 176.8859 89 D 4.4444 8.2907 117.6324 57.5479 41.1853 179.7561 90 G 3.8709 8.0091 105.5192 47.8290 0.0000 175.0873 91 Y 4.1060 8.3306 122.8719 60.4854 38.5645 178.3673 92 S 3.7877 8.7130 113.1135 60.1045 62.4814 174.8226 93 A 4.3688 7.4761 120.3127 50.5794 19.9474 175.5263 94 C 4.1057 7.6020 112.7025 57.8809 33.5604 173.5487 95 D 4.6390 8.3756 118.4405 52.8058 43.5982 175.1636 96 H 4.3908 8.3392 121.8920 56.9779 29.4205 175.0517 97 T 3.7378 7.3012 117.0445 65.2492 68.2967 173.8954 98 S 3.7980 8.9103 120.3939 59.2093 61.0296 172.0274 99 K 4.6874 8.1916 118.6746 55.6473 34.6786 175.7009 100 G 4.5765 7.8296 105.1473 45.7930 0.0000 172.9938 101 F 5.1195 9.2458 119.0602 54.9887 42.0496 175.2920 102 K 3.7076 8.8954 124.6341 56.9709 32.0579 175.2858 103 R 3.8660 8.7102 127.9424 57.0968 31.1237 175.8194 104 W 4.7683 7.0150 116.2249 54.7881 34.1916 173.7182 105 E 4.7446 7.8846 119.6638 54.9211 31.7566 177.2078 106 C 4.9132 9.1114 125.3062 55.4595 38.7931 173.9545 107 N 5.0350 8.4057 114.6477 52.3200 38.1316 176.5670 108 R 4.6493 7.5255 118.3903 53.9296 30.4415 174.0476 109 P 4.8521 0.0000 0.0000 64.5155 31.8458 177.6073 110 H 4.8470 7.7595 116.2709 55.3495 30.0447 173.7452 111 S 4.3764 7.8414 113.8814 57.3956 63.9215 171.9447 112 P 4.2565 0.0000 0.0000 64.9555 30.3127 177.7030 113 N 4.4464 8.7966 118.8705 53.8167 37.3219 176.5585 114 G 3.7444 8.1129 111.3293 44.8512 0.0000 168.8892 115 P 4.3370 0.0000 0.0000 61.9730 32.1383 175.9491 116 L 3.9180 8.4800 123.8863 55.3293 43.0745 175.4176 117 K 4.5190 8.0423 126.4413 54.3643 34.9037 174.8408 118 F 4.5831 8.2243 124.9390 55.5193 42.1313 174.4553 119 S 4.9775 8.3135 117.0864 56.5590 66.4692 172.9792 120 E 4.5785 8.9217 124.4185 54.2310 32.2613 174.1890 121 K 4.0352 8.4510 128.5970 54.4994 33.3639 177.3953 122 F 3.8655 7.6531 129.7792 56.4477 36.7323 174.8618 123 Q 4.4915 7.7979 119.7250 55.4406 30.7722 178.8741 124 L 3.9507 8.3245 119.6145 56.3548 41.9775 177.8262 125 F 5.8254 7.4971 114.2443 54.7963 42.2037 174.4258 126 T 4.5068 8.7644 121.7603 62.1413 69.4112 173.5992 127 P 4.4380 0.0000 0.0000 64.2676 32.1087 176.2509 128 F 4.8111 7.9122 120.0036 55.4954 41.3713 174.2282 129 S 3.8949 7.4508 120.2963 59.9798 62.0391 174.0039 130 L 3.5152 8.7169 125.5834 55.2693 38.7522 174.5943 131 G 3.8233 7.8538 108.5529 45.7001 0.0000 172.9380 132 F 4.3562 8.4837 117.6931 55.9886 40.1377 175.4951 133 E 4.9049 8.2147 124.5213 54.6533 32.4470 174.9245 134 F 5.1782 9.1665 120.4024 55.7701 43.0433 174.2073 135 R 4.8574 9.2320 119.9138 53.5219 33.7243 173.7737 136 P 4.1928 0.0000 0.0000 64.1557 31.8188 176.9895 137 G 3.9293 8.9267 110.5317 45.5474 0.0000 173.2235 138 R 4.7079 7.4325 117.7904 54.4062 33.1366 174.8675 139 E 5.1121 8.3400 119.7417 55.0237 32.0690 175.1039 140 Y 4.7611 8.4723 119.5482 56.3362 42.9505 174.3082 141 F 5.3914 8.5837 118.8183 56.1070 43.8205 173.2388 142 Y 5.6093 9.9000 120.4641 56.3543 41.5401 174.7082 143 I 5.7079 9.1938 116.5113 59.3277 41.7278 174.1785 144 S 5.6094 9.0072 116.3656 56.7111 66.4196 173.4547 145 S 5.0032 8.9900 115.6809 56.2074 65.7081 173.2227 146 A 4.4155 9.0569 126.3590 52.6934 18.8230 177.9212 147 I 3.9286 8.7036 124.6700 64.0638 36.9813 176.4230 148 P 4.1153 0.0000 0.0000 64.7390 31.2864 175.4687 *150 D 4.4926 7.7498 117.4435 54.5632 41.6453 173.9731 151 N 4.7240 9.1964 123.8301 52.9965 40.1709 176.6925 152 G 5.0117 8.0284 118.5700 45.5721 0.0000 173.4220 153 R 4.0868 8.1296 117.0110 57.0111 29.2753 176.9935 154 R 4.3997 7.4537 120.9135 56.6764 28.7532 180.8849 155 S 4.4375 8.9400 122.1704 58.1028 61.2003 172.4274 156 C 4.5913 8.1071 118.6031 54.7475 37.0704 174.1880 157 L 4.4010 8.2848 121.2534 54.6897 42.1199 176.2648 158 K 5.4763 8.6518 121.3859 55.4987 36.3978 175.2259 159 L 5.0692 10.0538 122.8678 53.6303 45.9170 174.5207 160 K 4.7614 9.0723 127.6690 54.7540 34.5663 174.7963 161 V 4.5968 9.0131 128.4277 61.2122 33.9460 174.0902 162 F 5.1314 8.8826 132.0039 56.4716 40.5189 174.9310 163 V 3.7946 8.1468 127.9986 62.1835 31.8363 175.6208 164 R 3.6462 8.3320 128.3389 55.0394 30.7494 175.5494 165 P 4.4189 0.0000 0.0000 62.7437 32.3020 177.2963 166 T 3.8312 8.5295 110.3384 65.2344 68.1324 175.8077 167 N 4.3777 8.1242 118.3858 56.6626 38.9893 176.4208 168 S 4.4737 7.7993 115.6353 60.4205 64.2641 174.4929 169 C 4.4429 7.4939 118.6098 56.8767 38.2644 174.4740 170 M 2.8530 7.8778 125.5054 55.0820 31.1496 177.9407 *171 K 4.1215 8.4596 119.2207 55.4935 32.5819 171.3452 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 32 V 8.05 3.98 1.09 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 0.81 0.00 0.00 0.93 0.00 0.00 33 A 7.45 4.42 1.10 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 0.00 0.00 34 D 9.22 5.12 0.00 2.72 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 35 R 7.98 5.25 0.00 1.66 1.94 0.00 3.07 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 36 Y 9.05 4.64 0.00 3.00 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 37 A 8.75 4.83 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 38 V 9.30 4.45 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 1.12 0.00 0.00 0.91 0.00 0.00 39 Y 9.17 4.96 0.00 3.05 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 40 W 8.97 4.36 0.00 3.54 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 41 N 7.89 5.60 0.00 3.13 3.04 0.00 0.00 5.87 7.83 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 42 S 9.46 4.37 0.00 4.10 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 0.00 43 S 8.11 4.35 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.50 0.00 2.97 3.17 0.00 0.00 7.01 7.87 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 45 P 0.00 4.28 0.00 2.12 2.05 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 46 R 8.22 3.49 0.00 1.07 0.66 0.00 2.87 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 47 F 8.07 4.13 0.00 3.20 2.93 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 48 Q 7.71 4.27 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 49 R 7.70 4.30 0.00 1.75 2.00 0.00 3.12 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 50 G 8.04 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 51 D 7.52 5.05 0.00 2.79 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 52 Y 8.15 4.42 0.00 2.84 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 53 H 9.09 5.57 0.00 3.34 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.59 4.49 1.42 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.92 0.00 0.00 55 D 8.56 5.13 0.00 2.59 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 56 V 8.15 4.35 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 -0.06 0.00 0.00 57 C 9.38 5.14 0.00 2.77 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 58 I 8.12 3.96 1.83 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 1.34 0.68 0.92 0.00 0.00 59 N 9.09 4.38 0.00 2.81 3.03 0.00 0.00 7.04 8.09 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 60 D 7.88 5.60 0.00 2.85 2.95 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 0.00 0.00 0.00 61 Y 9.49 4.93 0.00 2.88 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 62 L 8.77 5.09 0.00 1.85 1.22 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.08 4.79 0.00 2.59 2.11 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 64 V 8.16 4.27 1.44 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 0.83 0.00 0.00 0.54 0.00 0.00 65 F 9.28 4.91 0.00 2.55 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 66 C 8.97 5.05 0.00 3.01 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 67 P 0.00 4.42 0.00 2.33 2.32 0.00 3.97 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 68 H 8.56 4.90 0.00 3.11 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.24 4.84 0.00 2.76 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 70 E 8.79 4.35 0.00 1.99 1.93 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 2.44 2.39 0.00 71 D 8.84 4.48 0.00 2.66 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 72 S 7.32 4.66 0.00 4.08 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 73 V 7.30 4.36 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 0.97 0.00 0.00 1.05 0.00 0.00 74 P 0.00 4.45 0.00 2.18 2.03 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 75 E 7.97 4.50 0.00 2.08 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 2.28 2.41 0.00 76 D 7.49 4.66 0.00 2.62 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 77 K 7.70 4.20 0.00 1.61 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.40 7.81 78 T 7.37 2.73 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 1.11 0.00 0.00 79 E 8.60 4.62 0.00 2.25 1.78 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 2.35 2.44 0.00 80 R 7.75 4.85 0.00 1.60 1.78 0.00 3.06 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 81 Y 8.59 5.38 0.00 2.83 2.76 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 82 V 8.63 4.62 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 0.50 0.00 0.00 0.97 0.00 0.00 83 L 8.76 4.94 0.00 1.40 1.34 -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 9.16 5.03 0.00 2.93 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 85 M 8.89 4.63 0.00 1.93 1.55 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.39 0.00 86 V 9.02 5.71 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 1.15 0.00 0.00 1.22 0.00 0.00 87 N 8.37 4.81 0.00 2.90 3.05 0.00 0.00 5.56 8.12 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 88 F 7.93 3.77 0.00 2.76 2.83 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 89 D 8.29 4.44 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.01 3.87 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 0.00 0.00 0.00 91 Y 8.33 4.11 0.00 3.06 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 92 S 8.71 3.79 0.00 2.72 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 93 A 7.48 4.37 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 94 C 7.60 4.11 0.00 3.14 3.14 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 95 D 8.38 4.64 0.00 2.57 2.38 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 0.00 96 H 8.34 4.39 0.00 3.07 3.06 0.00 5.54 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 97 T 7.30 3.74 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 1.13 0.00 0.00 98 S 8.91 3.80 0.00 3.97 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 99 K 8.19 4.69 0.00 1.64 2.07 0.00 1.55 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 100 G 7.83 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.25 5.12 0.00 2.99 3.07 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 0.00 102 K 8.90 3.71 0.00 1.74 1.65 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.05 0.70 7.81 103 R 8.71 3.87 0.00 1.17 1.03 0.00 2.47 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 104 W 7.01 4.77 0.00 2.64 1.74 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 0.00 105 E 7.88 4.74 0.00 1.80 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 2.11 2.17 0.00 106 C 9.11 4.91 0.00 3.25 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 0.00 107 N 8.41 5.04 0.00 2.81 2.90 0.00 0.00 6.13 7.66 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 0.00 108 R 7.53 4.65 0.00 1.88 1.89 0.00 3.14 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 109 P 0.00 4.85 0.00 2.18 2.42 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 110 H 7.76 4.85 0.00 3.16 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.84 4.38 0.00 3.92 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 0.00 112 P 0.00 4.26 0.00 2.19 1.99 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 113 N 8.80 4.45 0.00 2.70 2.82 0.00 0.00 6.86 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 0.00 114 G 8.11 3.74 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 0.00 0.00 0.00 115 P 0.00 4.34 0.00 2.29 2.36 0.00 3.77 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 116 L 8.48 3.92 0.00 1.69 1.47 0.97 -0.28 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 0.00 117 K 8.04 4.52 0.00 1.27 1.17 0.00 0.93 0.00 0.00 1.03 0.00 0.00 2.59 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.57 0.21 7.81 118 F 8.22 4.58 0.00 1.70 1.45 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 0.00 119 S 8.31 4.98 0.00 3.60 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 0.00 120 E 8.92 4.58 0.00 2.26 1.45 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 1.81 1.72 0.00 121 K 8.45 4.04 0.00 1.64 1.58 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.06 0.60 7.81 122 F 7.65 3.87 0.00 2.71 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 0.00 123 Q 7.80 4.49 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.94 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 124 L 8.32 3.95 0.00 1.11 0.50 0.84 0.75 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 0.00 125 F 7.50 5.83 0.00 3.02 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 0.00 126 T 8.76 4.51 4.29 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 1.43 0.00 0.00 127 P 0.00 4.44 0.00 2.15 2.18 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 128 F 7.91 4.81 0.00 2.99 2.90 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 0.00 129 S 7.45 3.89 0.00 3.43 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 0.00 130 L 8.72 3.52 0.00 1.73 1.67 0.88 0.84 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 0.00 131 G 7.85 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 0.00 132 F 8.48 4.36 0.00 2.98 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 0.00 133 E 8.21 4.90 0.00 1.80 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 2.38 2.28 0.00 134 F 9.17 5.18 0.00 2.87 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 0.00 135 R 9.23 4.86 0.00 1.77 1.81 0.00 3.29 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 136 P 0.00 4.19 0.00 2.01 2.03 0.00 3.71 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 2.00 2.04 0.00 137 G 8.93 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 0.00 138 R 7.43 4.71 0.00 2.12 1.40 0.00 3.21 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 139 E 8.34 5.11 0.00 1.84 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 2.32 2.40 0.00 140 Y 8.47 4.76 0.00 2.91 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 0.00 141 F 8.58 5.39 0.00 3.22 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 0.00 142 Y 9.90 5.61 0.00 3.39 3.07 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 0.00 143 I 9.19 5.71 2.06 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 1.51 1.57 1.14 0.00 0.00 144 S 9.01 5.61 0.00 3.96 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 0.00 145 S 8.99 5.00 0.00 4.06 4.13 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 0.00 146 A 9.06 4.42 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 0.00 147 I 8.70 3.93 1.83 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 1.31 0.70 0.92 0.00 0.00 148 P 0.00 4.12 0.00 2.15 2.14 0.00 3.84 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 *150 D 7.75 4.49 0.00 2.71 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 0.00 151 N 9.20 4.72 0.00 2.80 2.88 0.00 0.00 7.02 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 0.00 152 G 8.03 5.01 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 0.00 153 R 8.13 4.09 0.00 1.99 2.05 0.00 3.23 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 154 R 7.45 4.40 0.00 1.88 1.19 0.00 3.17 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 155 S 8.94 4.44 0.00 3.87 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 0.00 156 C 8.11 4.59 0.00 3.41 3.15 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 0.00 157 L 8.28 4.40 0.00 1.14 0.44 0.15 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 K 8.65 5.48 0.00 2.05 1.78 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.59 7.81 159 L 10.05 5.07 0.00 1.81 2.05 0.38 0.71 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 0.00 160 K 9.07 4.76 0.00 1.88 1.70 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.83 1.06 7.81 161 V 9.01 4.60 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 0.34 0.00 0.00 1.21 0.00 0.00 162 F 8.88 5.13 0.00 3.02 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 0.00 163 V 8.15 3.79 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 0.70 0.00 0.00 0.75 0.00 0.00 164 R 8.33 3.65 0.00 1.48 1.71 0.00 3.23 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 165 P 0.00 4.42 0.00 2.22 2.20 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 166 T 8.53 3.83 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 1.20 0.00 0.00 167 N 8.12 4.38 0.00 2.72 2.91 0.00 0.00 7.00 7.63 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 0.00 168 S 7.80 4.47 0.00 3.99 3.91 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 0.00 169 C 7.49 4.44 0.00 2.99 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 0.00 170 M 7.88 2.85 0.00 2.16 2.11 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 2.51 2.46 0.00 *171 K 8.46 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.