NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.8275 8.3033 117.8005 55.1089 32.6818 175.9864 9 I 3.7027 8.6794 127.9575 62.1648 37.2657 170.7372 10 E 4.7238 8.8229 125.3092 54.1194 34.2044 175.0081 11 V 4.1101 8.5729 123.7597 63.5900 32.2134 175.9104 12 V 4.2935 8.7021 117.5579 60.4923 34.9572 175.3354 13 G 3.6588 7.3415 105.9097 47.3689 0.0000 171.7785 14 K 4.9002 8.0708 118.7784 55.4861 36.3535 176.2208 15 L 4.4042 8.8375 127.6818 54.5794 42.6885 176.2989 16 G 4.6172 8.6340 109.9679 46.0647 0.0000 172.6683 17 S 4.6273 8.8371 117.5752 58.1764 63.9930 174.3066 18 T 4.5285 8.5670 120.1002 62.4494 67.8219 172.6526 19 Y 4.5703 8.9674 129.3798 56.8439 41.7252 177.3865 20 G 3.6668 7.3189 112.9667 45.2242 0.0000 172.7520 21 I 4.4409 8.0788 116.4260 60.7361 39.1273 177.2947 22 R 4.5623 7.8691 117.6578 56.8673 30.1798 177.2380 23 G 4.1220 8.5537 107.3589 45.3899 0.0000 174.9587 24 W 4.7629 8.6343 119.7882 57.1492 30.4438 175.0835 25 L 5.2392 8.8989 121.4034 54.4903 43.7776 175.4078 26 R 4.6612 9.0162 120.5264 56.6430 31.5148 175.1185 27 I 4.7424 7.4200 117.9516 59.9007 41.7566 174.0065 28 Y 4.8429 8.8292 124.0042 56.4840 41.5404 174.2174 29 S 5.0148 8.6810 119.5256 56.8966 64.4965 174.6023 30 S 4.3920 8.8906 119.6874 59.4800 63.4352 174.6602 31 T 3.7462 8.1397 114.9118 63.0214 67.4001 174.5880 32 E 3.8285 8.2868 128.1601 58.8473 29.6611 176.9270 33 Q 4.4292 7.6978 112.9842 54.9236 30.2116 176.9230 34 A 4.5236 6.8354 129.6794 51.7883 20.3878 177.0308 35 E 4.2625 7.0035 116.4971 56.9694 30.1826 178.8462 36 S 4.3717 7.8810 113.3534 60.8893 62.5353 175.4738 37 I 3.8537 7.4666 120.6410 63.3809 37.4800 176.6935 38 F 4.6571 7.5040 116.6597 58.6884 38.9306 175.4273 39 D 4.6283 7.5981 118.2029 54.0974 40.7032 175.6119 40 Y 5.0041 7.3705 116.0704 56.3781 41.0390 175.1104 41 Q 4.5513 8.4988 121.4610 53.8400 32.9779 173.1463 42 P 4.5503 0.0000 0.0000 62.1410 33.7869 174.7839 43 W 5.0981 8.5481 118.9727 55.4708 32.5331 175.4762 44 F 5.2620 8.7242 119.0402 55.9973 42.2625 174.0144 45 L 5.3756 9.3225 124.5240 53.1263 43.8783 175.8391 46 K 4.6243 8.9362 126.0985 55.6315 32.4191 175.9497 47 I 4.4651 8.5816 129.2260 60.4794 39.9949 176.3601 48 K 3.9032 9.5323 124.1775 57.6664 29.4744 175.6198 49 G 3.8009 8.2699 101.5780 46.1078 0.0000 173.2230 50 E 4.5637 7.7674 119.2541 53.5657 33.5244 174.7557 51 W 5.3937 8.6780 124.9359 56.4431 30.0311 175.6094 52 Q 4.8526 9.5371 125.4223 53.8316 30.4473 175.5161 53 S 4.3409 9.0077 119.5569 58.7218 63.3903 173.0603 54 I 4.4780 8.4052 125.0790 59.8423 42.0001 172.5860 55 E 4.4859 8.5894 129.7436 54.7757 31.1827 174.5738 56 L 4.0797 7.9952 129.1181 55.0800 42.4066 175.7187 57 E 4.3572 8.5604 124.8727 57.8796 32.0137 175.1270 58 N 4.4888 7.4480 115.3686 53.2054 42.4204 172.7813 59 W 5.5782 8.0625 116.9935 56.1750 30.8648 173.1135 60 R 4.0724 8.7483 116.5573 56.0107 32.8045 172.6077 61 Y 4.6849 8.4701 117.0789 57.1147 37.9537 176.2428 62 H 4.6921 8.9583 123.6867 54.8280 29.8381 170.2627 63 N 4.3735 8.4782 120.4200 54.9375 35.1114 173.5178 64 H 4.0968 8.4051 115.8990 55.9059 27.1824 174.9975 65 E 4.6046 7.9350 117.2849 54.7001 31.3756 174.0541 66 I 4.2134 8.4313 128.0401 61.3082 38.6925 175.0464 67 I 4.7934 8.8612 125.8846 59.2716 41.4230 174.2183 68 V 4.8678 9.1383 128.2064 61.0506 35.2863 174.3798 69 K 4.0161 8.1456 124.9139 54.4510 34.4154 175.2348 70 L 4.4302 8.1161 127.4529 53.4786 43.4074 176.9306 71 K 4.0477 8.3854 120.1269 59.7861 31.0614 178.7045 72 G 3.6053 8.0767 109.9154 47.1357 0.0000 173.1315 73 V 4.1261 7.1378 119.3538 61.9415 31.9601 175.0096 74 D 4.9828 8.6507 124.7770 51.6582 42.7465 175.0089 75 D 4.8512 7.7128 119.1219 52.1687 42.9273 175.8085 76 R 3.9112 8.5652 120.2658 59.9416 29.6954 178.2244 77 E 3.9552 8.2173 118.1191 59.2403 29.5734 178.4731 78 A 4.0181 9.0650 120.0338 54.7020 18.6628 178.9984 79 A 4.1978 8.1016 119.5996 54.7767 18.8573 179.2632 80 Q 3.9525 8.1965 118.2595 59.7814 28.8451 178.9763 81 I 3.7684 7.3449 119.1769 64.0930 37.1368 177.6000 82 L 4.3432 8.0956 118.1290 54.1862 41.8416 176.5650 83 A 4.1922 7.0077 121.2064 53.2432 18.5702 176.9634 84 N 4.4304 8.7793 119.0408 54.4169 36.8671 174.5057 85 V 4.4757 7.2435 110.5868 59.6951 34.3764 175.5553 86 E 4.7171 8.7160 122.9844 56.6018 30.9553 175.6239 87 I 4.9217 8.3081 123.8890 59.6857 39.8248 175.0565 88 G 4.0548 8.9439 112.6392 44.5334 0.0000 171.5988 89 V 4.9307 7.8832 112.0392 59.4090 36.6854 174.8472 90 D 4.4241 8.7792 122.8511 53.1778 40.7590 175.1334 91 L 4.4151 7.7222 124.6051 54.3995 41.7267 177.6641 92 S 4.3582 7.7629 114.1458 57.4357 63.7178 174.3521 93 V 3.7964 7.9411 114.0867 61.6058 31.8216 176.2542 94 F 4.3051 8.3615 121.1172 55.1405 40.3195 174.2094 95 P 4.3419 0.0000 0.0000 62.7638 31.4462 175.8099 96 E 4.1228 8.7080 121.9230 55.9322 29.8641 176.5689 97 L 4.0376 8.5200 126.8319 55.2529 42.0989 176.9423 98 E 4.2956 8.5672 121.0651 56.4918 29.9061 176.1221 99 E 4.3520 7.9475 117.9007 56.1110 32.8969 176.1977 100 G 2.0000 8.4157 116.0890 44.6945 0.0000 171.2964 101 D 4.5149 6.0500 117.7210 50.5063 43.0287 175.8918 102 Y 3.4346 8.4208 116.4219 61.0282 37.6408 178.2229 103 Y 4.0064 8.1422 120.0487 60.1241 38.8990 177.6880 104 W 4.3809 8.2561 120.2226 60.3585 28.8097 177.7682 105 H 4.3915 8.0655 115.4031 59.2270 27.8967 177.0542 106 D 4.1257 7.8013 118.9270 56.2114 40.9678 178.0381 107 L 4.2136 8.2309 120.1323 55.7210 41.7594 177.1878 108 I 3.9738 6.6041 119.9385 62.8199 37.2920 176.4981 109 G 3.9402 9.1898 114.5408 45.2061 0.0000 173.3491 110 C 4.6053 7.9573 117.5289 59.9237 29.9682 172.4679 111 T 4.9843 8.6316 117.5264 62.0940 70.7323 173.8723 112 V 4.7896 8.5541 126.3681 61.6853 33.6862 174.9834 113 V 4.8648 8.7315 120.8030 59.6398 35.7371 175.5208 114 N 6.0499 8.9354 123.0445 51.3652 39.0190 176.0202 115 L 4.2730 8.7324 118.0951 57.4846 41.8751 178.2065 116 E 4.1672 8.9736 117.5308 56.1950 29.7605 177.6376 117 G 3.9367 8.6714 107.7594 45.7346 0.0000 172.7030 118 Y 4.3194 8.0474 120.7943 56.6499 39.6245 175.5955 119 T 4.6827 7.1032 123.1774 62.1811 70.1168 173.1732 *121 G 3.8774 8.0129 107.7921 46.8847 0.0000 170.8294 122 T 5.1891 8.0234 116.3911 61.5092 70.8134 174.9057 123 V 4.2238 8.6073 127.5246 62.2458 31.8247 176.7535 124 T 4.4494 8.7578 116.5242 62.3795 70.0132 174.7867 125 E 4.2805 7.4879 122.6386 55.8739 32.8205 172.9949 *128 E 4.5328 8.7562 117.9573 56.6549 30.4684 175.9187 129 T 4.3475 8.3211 120.4843 63.1081 68.2849 173.5431 130 G 4.0799 7.0967 113.0157 44.9341 0.0000 173.1022 131 S 4.6764 8.3612 116.0679 57.1882 65.2980 173.5889 132 N 4.9241 7.9900 119.2843 51.5516 40.1452 172.9939 133 D 5.1708 8.4977 123.1115 52.8723 43.2980 175.7424 134 V 4.6440 7.7916 121.0596 61.0733 35.1060 174.3532 135 L 4.0097 9.0084 128.3899 54.1413 43.1448 176.0139 136 V 4.3082 8.9246 125.1378 61.8839 32.6723 174.5466 137 V 4.6161 8.6371 129.5213 61.0544 33.7484 174.5312 138 K 4.5931 9.0205 130.3083 55.0742 32.5994 175.8858 139 A 4.5040 8.6755 130.1377 51.8755 19.1196 176.8271 140 N 4.4728 8.6370 116.8959 52.8172 39.3721 175.3579 141 T 3.7487 8.4011 116.4448 65.0094 68.7795 174.8280 142 K 3.7942 8.5785 125.9228 57.3524 29.2646 174.3649 143 D 4.6806 7.7300 119.4251 52.1055 41.2638 178.4113 144 A 3.7374 7.6371 124.4837 55.1580 18.4061 178.7652 145 F 4.6321 8.2855 112.1780 57.0233 39.3134 175.9404 146 G 4.0689 8.2359 106.7980 46.3210 0.0000 174.2491 147 K 4.5533 8.0557 117.4750 55.2722 33.6343 176.6474 148 Q 4.4609 8.6073 120.3991 57.5561 30.5004 175.2600 149 E 5.1964 8.0148 116.7716 54.6293 33.2305 174.7695 150 R 4.7796 9.1284 123.2280 54.3825 34.4499 174.4846 151 L 4.8729 8.6665 122.6905 53.3706 43.3265 175.7626 152 I 3.3799 8.0116 126.0565 58.1457 39.2138 173.8970 153 P 4.3187 0.0000 0.0000 62.8596 31.6400 177.2979 154 F 4.4689 8.7135 128.9547 56.7601 37.7347 172.5957 155 L 4.4590 7.3109 120.1016 52.0843 44.6438 175.4860 156 Y 4.3083 8.0193 122.5546 59.3323 38.4656 175.0124 157 E 4.5613 9.2268 131.3183 56.7420 28.3851 176.5083 158 Q 4.1690 7.7648 114.5314 57.9841 29.4310 175.7491 159 V 4.1341 7.6154 115.0802 63.9375 33.7906 174.8969 160 V 4.2158 7.8877 125.9179 62.0918 31.4161 176.2158 161 K 4.1724 9.0533 128.8635 59.2922 32.4547 177.9382 162 R 4.8793 7.8543 116.5010 54.9184 34.8885 173.9630 163 V 4.8243 8.5028 120.6875 61.3508 34.5047 174.6590 164 D 4.7320 9.2770 126.7125 52.5501 43.1003 175.7834 165 L 4.1302 8.7109 126.6877 57.1283 42.2690 179.7180 166 T 3.9873 7.9339 115.5329 66.3680 68.3939 174.7677 167 T 4.5427 7.5519 109.1988 62.0788 70.0753 174.1798 168 K 3.8762 7.7497 117.8177 58.6835 30.1101 173.9184 169 T 5.1489 8.4135 114.5225 60.3060 71.9158 173.3156 170 I 4.9222 8.9251 128.2798 59.5746 40.2908 173.9183 171 E 5.0784 9.1950 129.0852 55.0328 31.1713 175.2340 172 V 4.9049 8.5480 118.5640 59.8224 36.5507 174.3838 173 D 5.0892 9.0190 124.0142 52.3713 39.5322 173.8803 174 W 4.8724 8.0109 127.8904 54.6825 33.2718 174.3001 175 D 4.3503 8.2611 125.2848 54.8925 40.8294 177.1636 176 A 3.7841 8.8962 127.2484 54.7619 18.5644 177.5069 177 G 3.4864 6.2783 101.9446 44.1918 0.0000 173.6746 178 F 4.1268 8.8739 121.2169 61.3925 39.1089 175.8190 179 L 4.0653 7.7808 116.7045 54.3980 41.4181 176.3212 180 E 4.1140 7.2826 120.4784 56.2439 29.9304 176.1994 181 H 4.2842 8.6622 125.6512 56.1428 30.7419 173.7644 182 H 5.6740 7.7864 121.8184 55.5197 31.7479 175.9676 183 H 3.2518 10.3393 117.7130 54.1402 30.1906 174.2057 184 H 4.4397 9.1089 130.2545 57.1940 30.5102 173.6697 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 8 H 8.30 4.83 0.00 3.07 2.25 0.00 5.79 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.68 3.70 1.52 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.15 -0.23 0.00 0.00 10 E 8.82 4.72 0.00 1.75 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 0.00 2.16 2.33 0.00 11 V 8.57 4.11 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 0.84 0.00 0.00 1.16 0.00 0.00 12 V 8.70 4.29 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 0.54 0.00 0.00 0.66 0.00 0.00 13 G 7.34 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.07 4.90 0.00 1.82 1.74 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.43 7.81 15 L 8.84 4.40 0.00 1.84 1.62 1.00 0.57 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 16 G 8.63 4.62 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 0.00 0.00 0.00 17 S 8.84 4.63 0.00 4.04 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 18 T 8.57 4.53 4.31 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 1.26 0.00 0.00 19 Y 8.97 4.57 0.00 2.98 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 20 G 7.32 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 0.00 0.00 0.00 21 I 8.08 4.44 1.85 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 1.43 1.47 0.91 0.00 0.00 22 R 7.87 4.56 0.00 2.14 2.08 0.00 3.24 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 23 G 8.55 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 24 W 8.63 4.76 0.00 3.59 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 25 L 8.90 5.24 0.00 1.91 1.83 0.99 1.04 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 26 R 9.02 4.66 0.00 1.70 1.63 0.00 3.23 0.00 0.00 3.56 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 27 I 7.42 4.74 1.87 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 1.04 0.72 0.89 0.00 0.00 28 Y 8.83 4.84 0.00 2.89 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 29 S 8.68 5.01 0.00 3.76 3.58 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 30 S 8.89 4.39 0.00 3.70 3.92 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 0.00 0.00 0.00 31 T 8.14 3.75 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 1.20 0.00 0.00 32 E 8.29 3.83 0.00 2.03 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 2.32 2.31 0.00 33 Q 7.70 4.43 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 34 A 6.84 4.52 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 35 E 7.00 4.26 0.00 2.47 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 0.00 2.58 2.61 0.00 36 S 7.88 4.37 0.00 3.97 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 37 I 7.47 3.85 1.55 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 -0.05 0.00 0.00 38 F 7.50 4.66 0.00 3.05 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 39 D 7.60 4.63 0.00 1.88 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 0.00 0.00 0.00 40 Y 7.37 5.00 0.00 3.26 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 41 Q 8.50 4.55 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 42 P 0.00 4.55 0.00 1.73 1.93 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 43 W 8.55 5.10 0.00 3.34 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 44 F 8.72 5.26 0.00 2.44 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 45 L 9.32 5.38 0.00 1.75 1.72 1.02 0.95 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 K 8.94 4.62 0.00 1.12 1.51 0.00 0.68 0.00 0.00 1.39 0.00 0.00 2.58 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.99 0.41 7.81 47 I 8.58 4.47 1.90 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 1.33 0.78 0.92 0.00 0.00 48 K 9.53 3.90 0.00 1.83 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.45 7.81 49 G 8.27 3.80 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 0.00 0.00 0.00 50 E 7.77 4.56 0.00 1.96 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 2.23 2.24 0.00 51 W 8.68 5.39 0.00 3.13 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 52 Q 9.54 4.85 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 53 S 9.01 4.34 0.00 4.06 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 54 I 8.41 4.48 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.27 1.07 0.00 0.00 55 E 8.59 4.49 0.00 1.98 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 0.00 2.17 2.16 0.00 56 L 8.00 4.08 0.00 0.53 0.99 0.55 0.73 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 57 E 8.56 4.36 0.00 1.93 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 2.13 2.08 0.00 58 N 7.45 4.49 0.00 2.71 2.42 0.00 0.00 6.75 7.95 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 59 W 8.06 5.58 0.00 3.36 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 60 R 8.75 4.07 0.00 1.71 1.86 0.00 2.58 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00 61 Y 8.47 4.68 0.00 2.92 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 62 H 8.96 4.69 0.00 2.84 3.13 0.00 5.92 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 63 N 8.48 4.37 0.00 2.88 2.87 0.00 0.00 7.37 8.16 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 64 H 8.41 4.10 0.00 3.26 3.44 0.00 5.87 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.93 4.60 0.00 2.24 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 2.29 2.42 0.00 66 I 8.43 4.21 1.90 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 0.89 1.09 1.02 0.00 0.00 67 I 8.86 4.79 1.75 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.82 0.00 0.00 68 V 9.14 4.87 2.28 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 0.98 0.00 0.00 1.37 0.00 0.00 69 K 8.15 4.02 0.00 0.79 0.74 0.00 1.04 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.64 0.93 7.81 70 L 8.12 4.43 0.00 1.60 1.51 1.02 1.00 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 71 K 8.39 4.05 0.00 1.70 1.77 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 72 G 8.08 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 0.00 0.00 0.00 73 V 7.14 4.13 2.05 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 0.93 0.00 0.00 0.94 0.00 0.00 74 D 8.65 4.98 0.00 2.63 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 75 D 7.71 4.85 0.00 2.92 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 76 R 8.57 3.91 0.00 1.92 2.01 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 77 E 8.22 3.96 0.00 2.09 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 0.00 2.39 2.39 0.00 78 A 9.07 4.02 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 79 A 8.10 4.20 1.50 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 0.00 0.00 0.00 80 Q 8.20 3.95 0.00 2.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 81 I 7.34 3.77 2.05 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 1.54 0.88 0.94 0.00 0.00 82 L 8.10 4.34 0.00 1.90 1.76 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.01 4.19 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 84 N 8.78 4.43 0.00 2.94 2.98 0.00 0.00 6.97 7.29 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 85 V 7.24 4.48 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 0.86 0.00 0.00 1.03 0.00 0.00 86 E 8.72 4.72 0.00 2.04 2.04 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 2.43 2.36 0.00 87 I 8.31 4.92 1.44 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.99 4.92 0.00 2.73 2.71 0.00 0.00 7.00 8.08 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 0.00 133 D 8.50 5.17 0.00 2.66 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 0.00 0.00 0.00 0.00 134 V 7.79 4.64 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 0.70 0.00 0.00 0.83 0.00 0.00 135 L 9.01 4.01 0.00 1.40 1.38 0.85 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.92 4.31 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 0.89 0.00 0.00 0.86 0.00 0.00 137 V 8.64 4.62 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 0.87 0.00 0.00 138 K 9.02 4.59 0.00 1.89 1.80 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.44 7.81 139 A 8.68 4.50 1.40 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 0.00 0.00 0.00 140 N 8.64 4.47 0.00 2.70 2.75 0.00 0.00 6.97 7.54 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 0.00 141 T 8.40 3.75 4.23 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 0.00 0.00 1.21 0.00 0.00 142 K 8.58 3.79 0.00 1.85 1.81 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.35 7.81 143 D 7.73 4.68 0.00 3.03 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 0.00 144 A 7.64 3.74 1.18 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 0.00 0.00 145 F 8.29 4.63 0.00 3.07 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 0.00 146 G 8.24 4.07 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 0.00 0.00 0.00 147 K 8.06 4.55 0.00 1.92 1.82 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.73 7.81 148 Q 8.61 4.46 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 149 E 8.01 5.20 0.00 1.93 1.77 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 2.19 2.51 0.00 150 R 9.13 4.78 0.00 1.78 1.83 0.00 3.30 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 151 L 8.67 4.87 0.00 1.49 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.01 3.38 1.55 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.66 0.42 0.00 0.00 153 P 0.00 4.32 0.00 1.71 1.87 0.00 2.38 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 154 F 8.71 4.47 0.00 2.64 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 0.00 155 L 7.31 4.46 0.00 1.50 1.44 0.85 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 0.00 156 Y 8.02 4.31 0.00 2.90 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 0.00 157 E 9.23 4.56 0.00 2.11 2.34 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 2.25 2.37 0.00 158 Q 7.76 4.17 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 159 V 7.62 4.13 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 0.95 0.00 0.00 1.02 0.00 0.00 160 V 7.89 4.22 1.48 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 0.81 0.00 0.00 0.81 0.00 0.00 161 K 9.05 4.17 0.00 1.86 1.90 0.00 1.82 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.62 7.81 162 R 7.85 4.88 0.00 1.79 1.83 0.00 3.10 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 163 V 8.50 4.82 2.33 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 1.02 0.00 0.00 1.24 0.00 0.00 164 D 9.28 4.73 0.00 2.75 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 0.00 165 L 8.71 4.13 0.00 1.86 1.73 0.97 0.73 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 0.00 166 T 7.93 3.99 4.68 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 1.24 0.00 0.00 167 T 7.55 4.54 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 1.23 0.00 0.00 168 K 7.75 3.88 0.00 1.94 1.89 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.37 7.81 169 T 8.41 5.15 4.27 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 1.35 0.00 0.00 170 I 8.93 4.92 1.90 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 1.20 0.60 0.96 0.00 0.00 171 E 9.19 5.08 0.00 2.09 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 2.30 2.33 0.00 172 V 8.55 4.90 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 0.65 0.00 0.00 1.05 0.00 0.00 173 D 9.02 5.09 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 174 W 8.01 4.87 0.00 3.32 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 0.00 175 D 8.26 4.35 0.00 2.17 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 0.00 176 A 8.90 3.78 0.27 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 0.00 177 G 6.28 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 0.00 178 F 8.87 4.13 0.00 2.84 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 0.00 179 L 7.78 4.07 0.00 1.84 1.67 1.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 180 E 7.28 4.11 0.00 1.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 181 H 8.66 4.28 0.00 3.14 3.15 0.00 5.74 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 0.00 182 H 7.79 5.67 0.00 3.10 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 H 10.34 3.25 0.00 3.24 3.55 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 H 9.11 4.44 0.00 3.27 3.57 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.