NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1922 8.1727 122.0511 56.2880 34.0156 173.7616 2 V 4.5973 8.2446 127.4800 60.8663 32.6232 174.3995 3 F 4.4716 9.5999 128.1729 57.1445 40.4613 174.9269 4 E 4.1562 9.0854 123.1064 55.6154 30.9866 176.5479 5 R 3.4079 8.7255 122.4850 60.3831 30.0103 178.2021 6 C 4.3354 8.0241 115.4629 59.7983 41.2352 175.7514 7 E 3.8891 8.1018 120.7458 59.1546 29.2864 178.5057 8 L 3.7265 7.8650 119.9959 57.8125 41.9995 178.6657 9 A 3.9346 7.7940 120.7103 55.3413 18.2953 179.9067 10 R 3.8634 8.0324 116.5058 59.5837 30.2433 179.4184 11 T 3.8532 7.9881 115.5554 66.5764 68.5770 176.7153 12 L 3.8173 8.3596 121.1393 57.5581 41.6569 179.3830 13 K 3.8961 8.2353 119.8184 59.7596 31.9086 179.0659 14 R 4.0087 7.9572 117.0640 58.7906 29.9954 178.0509 15 L 4.3827 7.3856 116.0003 54.3516 41.6763 177.2227 16 G 3.8878 7.8263 106.9277 46.5591 0.0000 174.9204 17 M 3.9234 7.7114 121.0851 56.3988 32.3928 175.2596 18 D 4.5920 8.0283 117.3205 55.8606 41.0977 175.4887 19 G 3.9034 9.4166 115.1879 45.8294 0.0000 171.0687 20 Y 4.1656 8.4436 121.8482 58.4167 38.8247 176.4266 21 R 3.3711 9.1084 127.8373 57.2040 27.7293 177.5222 22 G 3.8638 8.0422 104.7034 45.3671 0.0000 174.1503 23 I 3.9264 7.4861 122.2203 60.0079 37.4338 175.9982 24 S 4.7398 8.3380 120.9592 57.7089 65.1118 174.7419 25 L 4.2386 8.6211 123.6418 58.4557 41.8733 178.8479 26 A 4.1366 8.1904 120.2158 55.3476 18.2980 179.2865 27 N 4.4352 7.8944 113.9711 56.3538 38.6268 177.6268 28 W 4.2713 7.8734 120.0334 60.1460 29.1638 178.4969 29 M 4.1235 8.5272 118.7985 58.5780 31.4403 177.9863 30 C 3.2655 7.9081 118.5648 59.0725 41.7941 175.3267 31 L 3.9608 8.1582 121.6886 58.3324 41.8056 178.8522 32 A 4.2784 8.3336 122.0796 54.2828 18.2596 179.5496 33 K 3.1065 8.1515 118.1464 59.4712 32.1179 179.2760 34 W 3.9956 7.7143 117.7105 59.4197 29.0037 178.3877 35 E 4.2836 8.5807 118.7243 58.8500 29.4927 178.0140 36 S 4.5280 8.0103 109.9875 56.5138 64.4961 174.5049 37 G 3.4945 7.9537 108.8647 46.8900 0.0000 173.2063 38 Y 3.6379 7.7879 113.2897 58.6396 35.3642 168.8780 39 N 5.3675 7.4467 118.9109 51.9134 39.6759 175.5259 40 T 4.0306 8.8587 117.6785 64.0955 69.0592 176.0470 41 R 4.3686 8.0581 119.4450 56.2925 30.7233 176.4292 42 A 4.3675 7.7643 122.1438 52.3280 19.3463 176.8859 43 T 5.0530 8.3265 110.7689 60.1418 72.5871 173.1956 44 N 4.8215 8.6951 121.9079 52.4508 42.0022 172.4551 45 Y 4.5417 8.7470 128.4604 57.4356 40.6259 173.9950 46 N 4.5002 8.7919 125.1527 51.0900 38.1891 175.1570 47 A 3.5697 8.1636 126.7674 54.9814 18.8931 179.2908 48 G 3.8446 8.1519 103.6040 48.5513 0.0000 173.9428 49 D 4.6762 7.7814 116.0486 51.9894 39.7556 176.4201 50 R 3.9520 7.9796 116.2035 56.9830 28.2191 175.9576 51 S 4.8548 7.5576 114.0486 57.4733 66.0313 172.7805 52 T 5.0853 8.7274 115.0837 62.0645 73.0151 172.9828 53 D 5.3556 9.1116 125.0708 53.2510 43.1880 175.0782 54 Y 4.8959 9.2838 120.8391 57.4433 41.5739 177.3784 55 G 4.2220 9.1751 112.2686 45.3788 0.0000 173.5411 56 I 4.0535 8.1507 116.4831 62.9811 38.0487 178.1049 57 F 4.7654 8.0181 115.6490 56.4337 39.9540 175.1734 58 Q 3.5431 7.8281 119.2478 57.1060 26.6499 174.1188 59 I 4.3784 8.1339 119.0237 61.2196 39.2551 176.9158 60 N 5.3806 9.1445 125.7262 53.2216 39.7316 175.9492 61 S 4.4723 9.1709 120.8887 61.4432 63.3713 175.5566 62 R 3.7072 9.0290 122.1655 58.6817 30.2501 177.9861 63 Y 4.2712 7.8447 114.7452 57.8368 40.4523 176.8672 64 W 4.8195 8.0194 118.2036 57.3218 31.3455 173.9435 65 C 5.8072 8.1122 111.6413 52.8383 46.0693 172.8015 66 N 5.0818 9.0565 119.3714 52.0396 40.1763 174.7529 67 D 4.8049 8.6377 123.2949 52.1210 40.5339 176.3565 68 G 3.9626 8.8106 107.3976 46.2934 0.0000 174.3254 69 K 4.5683 8.4101 115.1188 56.1996 33.6167 175.7802 70 T 4.5004 7.6991 117.1927 61.2015 69.7170 172.2140 71 P 4.2547 0.0000 0.0000 64.1669 31.6965 176.0591 72 G 3.9408 8.8305 109.8495 46.2175 0.0000 173.1777 73 A 4.2026 7.3577 120.8065 51.3871 19.1056 177.5491 74 V 4.4521 8.1104 112.9096 59.6924 35.3850 176.2702 75 N 4.8693 7.9438 115.6664 51.8781 38.4678 174.2656 76 A 3.9149 8.5310 124.2960 55.0547 19.0582 178.5848 77 C 4.5596 8.4153 111.3347 57.5100 40.9978 173.0404 78 H 4.0708 8.0056 116.3315 56.1146 26.2169 174.1432 79 L 4.7354 7.4348 117.0351 53.9185 43.9919 175.4753 80 S 4.5894 8.4093 114.5063 58.2095 63.1998 175.9786 81 C 4.1394 8.7070 124.2642 59.6148 40.8327 176.3393 82 S 3.9237 7.8381 114.8631 61.3442 61.6556 175.9689 83 A 4.0738 7.8218 122.3986 54.4961 18.1063 177.9423 84 L 4.4862 7.8042 116.3045 54.9782 41.7436 177.5711 85 L 5.3547 8.1900 116.7598 53.5635 42.3543 176.4913 86 Q 4.4812 7.8103 117.0807 54.9366 30.0683 175.6710 87 D 4.4187 8.5450 118.4395 56.9599 41.0679 176.7516 88 N 4.6849 8.0596 118.0304 52.9867 39.5445 174.6415 89 I 4.2887 8.4171 118.6308 61.0397 38.0466 177.0813 90 A 3.9315 8.4969 125.3821 56.0060 18.1616 180.2351 91 D 4.2919 8.0813 116.4880 57.4123 40.9848 178.6526 92 A 4.1209 7.9952 120.8806 55.1079 18.4226 179.7520 93 V 3.3451 8.1025 116.7154 66.1181 31.1455 178.2513 94 A 3.8846 8.0543 120.5051 55.0670 18.1429 178.6923 95 C 4.2949 8.3842 116.8961 59.4084 38.7827 175.6279 96 A 3.8939 8.2923 123.0355 54.8613 17.5872 179.7763 97 K 3.8041 7.5206 116.5434 59.3833 32.0531 179.2766 98 R 4.3150 7.3289 118.9064 58.7143 30.1041 178.2258 99 V 2.0000 7.0462 117.0014 65.6030 31.6804 178.0690 100 V 3.7701 7.5255 110.2816 63.1401 31.2228 177.8883 *102 D 4.6152 7.8462 118.2205 54.0146 42.4271 175.4438 103 P 4.3793 0.0000 0.0000 65.1504 31.5575 178.9308 104 Q 4.3784 7.6219 115.7554 54.8426 28.4713 174.8435 105 G 3.7436 8.2449 104.0414 45.8393 0.0000 174.7144 106 I 3.5771 7.4585 117.4119 62.5342 37.8679 177.1645 107 R 4.3688 7.3699 114.2887 57.4517 29.3796 177.1358 108 A 3.8967 7.4683 122.6194 54.6459 18.5200 178.0818 109 W 4.6335 8.1169 116.4906 55.5054 30.2132 177.5175 110 V 3.6980 8.8127 123.1805 66.1241 30.9444 177.6846 111 A 4.0075 8.3218 120.0349 54.9500 18.2009 179.2749 112 W 3.9907 8.2978 126.7960 60.6899 30.5945 178.4703 113 R 3.6271 8.2113 116.4376 59.1290 29.6249 178.3970 114 N 4.4077 8.0653 115.5951 55.5263 38.6828 176.2686 115 R 4.2433 7.6590 112.4491 55.5766 30.2366 175.0874 116 C 4.5385 7.2899 115.6073 58.1891 42.8725 174.2757 117 Q 3.1571 7.0067 120.7090 56.8565 28.6699 175.3289 118 N 4.1690 8.6202 121.4380 54.4356 36.1090 173.7944 119 R 4.5138 7.2782 115.4282 54.0576 33.1829 175.9598 120 D 4.5830 8.3918 118.8969 53.9542 39.9753 176.0284 121 V 4.4455 8.1093 118.8541 61.5204 32.9074 178.4338 122 R 4.0301 7.8296 120.2997 59.5745 29.7116 178.1969 123 Q 3.9797 8.2856 116.6163 59.9767 27.9310 178.6806 124 Y 4.4018 7.9977 116.7283 59.7432 38.2979 177.0835 125 V 4.4699 7.8938 111.1781 60.5198 33.4192 175.2175 126 Q 4.2411 7.8995 120.8424 57.1344 28.6561 176.8708 127 G 3.9610 8.9517 110.8057 45.9607 0.0000 174.4758 128 C 4.4166 8.0727 115.9195 56.7684 40.6546 173.7467 129 G 3.8382 8.0189 107.1875 46.9512 0.0000 174.1385 130 V 3.9982 7.9186 117.6121 61.0833 31.9641 176.0922 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 1 K 8.17 4.19 0.00 2.05 1.67 0.00 1.27 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.15 7.81 2 V 8.24 4.60 2.09 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 0.91 0.00 0.00 0.94 0.00 0.00 3 F 9.60 4.47 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 4 E 9.09 4.16 0.00 2.18 1.81 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 2.31 2.40 0.00 5 R 8.73 3.41 0.00 2.10 1.91 0.00 3.24 0.00 0.00 3.27 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 6 C 8.02 4.34 0.00 3.01 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 7 E 8.10 3.89 0.00 2.05 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 0.00 2.56 2.41 0.00 8 L 7.87 3.73 0.00 1.62 1.42 -0.06 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.79 3.93 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 10 R 8.03 3.86 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 11 T 7.99 3.85 4.26 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 1.21 0.00 0.00 12 L 8.36 3.82 0.00 1.70 1.54 0.92 0.40 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 13 K 8.24 3.90 0.00 1.91 1.93 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 7.96 4.01 0.00 1.96 1.96 0.00 3.20 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 15 L 7.39 4.38 0.00 1.64 1.56 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.83 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 0.00 0.00 0.00 17 M 7.71 3.92 0.00 1.09 1.86 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.15 0.00 18 D 8.03 4.59 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 19 G 9.42 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 20 Y 8.44 4.17 0.00 3.36 3.25 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 21 R 9.11 3.37 0.00 1.80 1.81 0.00 3.15 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 22 G 8.04 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 0.00 0.00 0.00 23 I 7.49 3.93 1.81 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.45 -0.32 0.00 0.00 24 S 8.34 4.74 0.00 4.12 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 25 L 8.62 4.24 0.00 1.89 1.81 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.19 4.14 1.52 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 0.00 0.00 0.00 27 N 7.89 4.44 0.00 2.95 2.75 0.00 0.00 7.01 7.55 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 28 W 7.87 4.27 0.00 3.53 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 29 M 8.53 4.12 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.90 0.00 30 C 7.91 3.27 0.00 2.68 3.21 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 0.00 31 L 8.16 3.96 0.00 1.80 1.91 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.33 4.28 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 33 K 8.15 3.11 0.00 1.98 1.55 0.00 0.93 0.00 0.00 1.16 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 1.80 7.81 34 W 7.71 4.00 0.00 3.36 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.58 4.28 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 2.56 2.31 0.00 36 S 8.01 4.53 0.00 4.09 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 37 G 7.95 3.49 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 0.00 0.00 0.00 38 Y 7.79 3.64 0.00 3.31 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 39 N 7.45 5.37 0.00 2.92 2.86 0.00 0.00 7.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.86 4.03 4.44 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 1.50 0.00 0.00 41 R 8.06 4.37 0.00 2.03 2.04 0.00 3.18 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 42 A 7.76 4.37 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 43 T 8.33 5.05 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 1.30 0.00 0.00 44 N 8.70 4.82 0.00 2.91 2.86 0.00 0.00 6.92 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 45 Y 8.75 4.54 0.00 3.01 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 46 N 8.79 4.50 0.00 2.61 2.59 0.00 0.00 6.49 7.84 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 47 A 8.16 3.57 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 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 49 D 7.78 4.68 0.00 2.73 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 50 R 7.98 3.95 0.00 2.05 2.19 0.00 3.15 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 51 S 7.56 4.85 0.00 3.85 3.95 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 52 T 8.73 5.09 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 0.67 0.00 0.00 53 D 9.11 5.36 0.00 2.69 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 54 Y 9.28 4.90 0.00 2.91 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 55 G 9.18 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 56 I 8.15 4.05 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.87 0.16 0.00 0.00 57 F 8.02 4.77 0.00 3.19 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 58 Q 7.83 3.54 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 59 I 8.13 4.38 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 1.13 0.00 0.00 60 N 9.14 5.38 0.00 3.08 3.00 0.00 0.00 6.97 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 61 S 9.17 4.47 0.00 4.05 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 0.00 62 R 9.03 3.71 0.00 1.58 1.38 0.00 2.73 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 63 Y 7.84 4.27 0.00 1.99 1.91 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 64 W 8.02 4.82 0.00 3.43 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 65 C 8.11 5.81 0.00 3.03 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 66 N 9.06 5.08 0.00 2.83 2.69 0.00 0.00 7.04 8.83 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 67 D 8.64 4.80 0.00 2.82 2.61 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 68 G 8.81 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 0.00 0.00 0.00 69 K 8.41 4.57 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.47 7.81 70 T 7.70 4.50 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 1.16 0.00 0.00 71 P 0.00 4.25 0.00 2.02 2.00 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.83 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 0.00 0.00 0.00 73 A 7.36 4.20 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 74 V 8.11 4.45 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 0.64 0.00 0.00 0.87 0.00 0.00 75 N 7.94 4.87 0.00 2.68 2.56 0.00 0.00 6.77 8.24 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 76 A 8.53 3.91 1.06 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 77 C 8.42 4.56 0.00 3.34 3.26 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 78 H 8.01 4.07 0.00 3.33 3.39 0.00 5.83 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 79 L 7.43 4.74 0.00 1.82 1.73 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.41 4.59 0.00 3.85 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 81 C 8.71 4.14 0.00 2.16 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 82 S 7.84 3.92 0.00 3.88 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 83 A 7.82 4.07 1.39 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 84 L 7.80 4.49 0.00 1.92 1.81 1.05 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.19 5.35 0.00 1.78 1.72 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.81 4.48 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 7.09 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 87 D 8.55 4.42 0.00 2.66 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 88 N 8.06 4.68 0.00 2.70 2.75 0.00 0.00 6.93 7.94 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 89 I 8.42 4.29 1.75 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.34 0.90 0.00 0.00 90 A 8.50 3.93 1.37 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 0.00 0.00 0.00 91 D 8.08 4.29 0.00 2.76 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 92 A 8.00 4.12 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 93 V 8.10 3.35 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 0.70 0.00 0.00 0.89 0.00 0.00 94 A 8.05 3.88 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 95 C 8.38 4.29 0.00 3.16 3.28 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 96 A 8.29 3.89 0.82 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 97 K 7.52 3.80 0.00 1.63 1.43 0.00 1.33 0.00 0.00 1.01 0.00 0.00 2.26 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.91 7.81 98 R 7.33 4.32 0.00 1.92 2.06 0.00 3.59 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 99 V 7.05 2.00 1.69 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 -0.54 0.00 0.00 -0.50 0.00 0.00 100 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 1.02 0.00 0.00 1.32 0.00 0.00 *102 D 7.85 4.62 0.00 3.00 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 0.00 103 P 0.00 4.38 0.00 2.05 2.13 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 104 Q 7.62 4.38 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 105 G 8.24 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 0.00 106 I 7.46 3.58 0.92 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.69 -0.73 0.00 0.00 107 R 7.37 4.37 0.00 2.16 2.14 0.00 3.31 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 108 A 7.47 3.90 0.82 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 0.00 109 W 8.12 4.63 0.00 3.55 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 0.00 110 V 8.81 3.70 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 1.17 0.00 0.00 0.99 0.00 0.00 111 A 8.32 4.01 1.52 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 0.00 0.00 0.00 112 W 8.30 3.99 0.00 3.40 3.51 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 0.00 0.00 0.00 0.00 113 R 8.21 3.63 0.00 2.05 1.96 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 114 N 8.07 4.41 0.00 2.71 2.69 0.00 0.00 6.85 7.35 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 0.00 115 R 7.66 4.24 0.00 0.76 1.05 0.00 2.68 0.00 0.00 2.75 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 116 C 7.29 4.54 0.00 1.79 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 0.00 117 Q 7.01 3.16 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 118 N 8.62 4.17 0.00 2.79 2.81 0.00 0.00 6.90 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 0.00 119 R 7.28 4.51 0.00 1.66 1.80 0.00 3.23 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 120 D 8.39 4.58 0.00 2.64 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 0.00 121 V 8.11 4.45 2.32 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 0.94 0.00 0.00 1.04 0.00 0.00 122 R 7.83 4.03 0.00 1.72 2.05 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 123 Q 8.29 3.98 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.28 1.83 0.00 124 Y 8.00 4.40 0.00 3.23 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 0.00 125 V 7.89 4.47 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 1.05 0.00 0.00 1.08 0.00 0.00 126 Q 7.90 4.24 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 127 G 8.95 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 0.00 0.00 0.00 128 C 8.07 4.42 0.00 3.13 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 0.00 129 G 8.02 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 0.00 130 V 7.92 4.00 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 0.81 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.