NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2721 8.2033 118.8077 55.6240 30.4455 177.1048 5 L 3.4424 7.7702 120.6627 57.9666 41.5294 177.0888 6 R 3.8403 8.6463 119.6823 59.2714 30.2287 178.3752 7 K 3.9348 7.8583 118.0765 59.5547 32.3395 179.4317 8 K 3.9458 8.0435 118.1958 59.7257 31.7984 179.1959 9 T 4.0003 7.9837 113.1791 65.1609 67.4320 175.9404 10 L 3.8309 7.6954 122.1005 58.5752 41.9155 179.0720 11 E 3.9417 8.1284 117.7393 59.2605 29.2757 178.9583 12 A 4.0148 7.5552 118.9002 55.4129 18.3036 179.4303 13 L 4.1076 8.7364 117.9607 58.0588 41.4302 179.9873 14 S 4.1808 7.9561 114.1868 61.4506 62.7806 176.2856 15 A 4.1273 7.9343 122.8786 53.8330 18.4687 178.3003 16 L 4.0539 7.0722 117.0156 54.8062 42.4600 177.8029 17 S 4.5430 8.5668 117.9738 57.5651 65.7423 174.8045 18 N 4.2446 8.7907 120.6995 57.0269 38.2865 177.3939 19 E 3.9753 8.1216 119.0136 59.4603 29.6154 178.8130 20 D 4.3081 7.6792 118.2309 57.4333 40.9244 178.6734 21 I 3.6265 7.8181 119.9983 64.6362 37.3768 178.3266 22 L 4.0430 8.0250 120.7858 58.1130 41.5980 178.6811 23 Q 4.0709 7.8494 118.8058 58.6206 28.9452 177.6922 24 K 4.0994 8.4213 120.4350 59.3392 31.9592 179.4226 25 T 3.6641 8.0485 109.5527 64.1209 68.9042 176.2988 26 E 4.2251 7.5439 120.8627 59.2791 29.5456 181.9195 27 R 3.9696 7.1598 119.0397 56.0108 29.5067 178.7197 *29 Y 4.0173 8.0526 116.9807 57.8443 40.1707 177.6532 30 K 3.6661 7.7725 119.1188 59.8776 31.8718 178.7766 31 Y 4.1994 6.9364 116.1502 60.4708 38.0854 177.8716 32 L 3.9658 7.7211 120.5973 58.6596 41.8091 179.0592 33 F 4.0571 7.4422 117.1038 60.0628 38.9513 176.9977 34 S 4.5421 7.9832 112.0853 58.1662 63.3317 173.6831 35 L 4.7472 7.4868 123.3298 53.2901 43.1912 175.9980 36 P 4.3590 0.0000 0.0000 65.8084 31.0942 178.9047 37 E 4.0025 8.3387 116.0259 58.6122 29.4473 178.4158 38 W 4.4901 8.0401 127.7148 59.4305 31.1166 177.9716 39 Q 4.0083 7.9593 116.5242 59.3067 28.1676 177.4840 40 N 4.4908 8.2973 111.6651 53.6514 38.8346 175.0678 41 A 4.1620 7.3792 123.4413 51.7497 19.0469 177.6509 42 G 3.9240 8.7707 109.7462 47.1621 0.0000 173.3327 43 T 5.2115 8.9726 118.1091 62.0524 72.7624 172.8851 44 I 4.9113 8.7815 120.6878 58.9347 40.2982 174.5338 45 A 4.9849 9.1082 128.5137 50.9770 20.3807 176.6611 46 V 4.5665 8.3051 118.3178 61.3244 35.1657 172.6321 47 T 4.7925 8.6212 112.5551 60.4987 71.4395 173.6172 48 I 4.2191 7.9407 122.7305 59.3439 38.0422 176.4169 49 S 4.3720 8.5506 120.5784 59.0207 63.4969 173.3852 50 R 4.6308 8.6278 118.1070 56.6840 34.3431 174.6121 51 G 4.0405 8.3965 113.7256 47.2844 0.0000 174.3790 52 L 4.4644 8.7745 123.6156 54.3112 41.7840 176.4126 53 E 4.3076 8.2576 119.4949 55.8581 29.9816 176.9918 54 I 3.7962 8.3428 122.8313 60.8325 37.6931 174.4309 55 P 4.7267 0.0000 0.0000 62.6786 31.8765 176.1829 56 T 4.5312 8.5338 110.3478 61.5201 70.6896 175.8955 57 R 3.4016 7.7872 122.8161 59.3287 29.6240 176.0804 58 P 4.0407 0.0000 0.0000 64.5675 31.0450 178.6364 59 V 3.6623 7.8964 117.9515 65.7058 31.6116 177.7707 60 I 3.4195 7.5599 118.8983 64.4250 36.7248 177.9430 61 E 3.9599 7.7499 117.7646 59.4974 29.6032 179.0212 62 Q 3.9898 7.7933 119.0710 59.0517 29.0829 177.9643 63 A 3.9701 8.4887 122.1740 55.2821 18.2289 179.7570 64 W 4.4507 8.2107 115.9380 59.5015 29.1407 177.7888 65 E 4.2773 8.1668 118.0676 57.4729 29.3644 176.6728 66 E 4.5346 8.0871 118.1676 55.9686 30.0395 178.5756 67 G 4.1054 8.4269 110.2440 46.0758 0.0000 175.1248 68 K 4.1615 7.5782 118.2218 57.1707 33.2664 176.5478 69 Q 4.6349 9.4085 124.0556 55.3963 31.0183 174.6791 70 V 5.4082 8.8539 117.7780 58.7239 35.4409 174.1488 71 C 5.4789 8.6253 118.8237 56.5075 32.6629 173.2259 72 I 5.6027 8.6428 117.1591 58.3642 39.6331 173.4236 73 P 3.8972 0.0000 0.0000 62.3602 32.2748 176.3750 74 K 4.4804 7.5481 121.7039 55.2594 31.7223 175.0195 75 C 3.9221 7.3528 118.5851 57.2713 31.6331 174.3861 *79 T 4.2131 7.9492 113.7648 63.5689 69.0855 175.4154 80 K 4.2847 7.9993 116.5254 56.7428 32.1730 175.8211 81 K 4.6340 8.1823 118.1350 54.1999 34.9955 175.4627 *83 Q 4.0884 8.1330 116.5933 56.2544 30.2220 174.6007 84 F 5.0977 8.7099 120.8979 56.0501 41.0199 175.4505 85 R 5.0276 8.7028 121.1941 54.1307 34.0999 175.1385 86 T 4.2287 8.8122 112.7786 62.6104 69.6213 173.3859 87 Y 5.0470 9.1288 125.1369 55.4644 39.7399 174.6200 88 Q 3.9850 8.8294 123.8606 55.4893 29.6122 177.0756 89 T 2.0000 7.4889 118.2759 63.2479 68.9301 173.2397 90 D 4.8225 7.6638 124.3130 51.4631 42.3337 175.2073 91 D 4.6118 8.5777 120.0549 54.0906 39.7503 176.5483 92 Q 4.6599 8.2290 116.4493 55.7273 30.8431 177.1159 93 L 4.2648 8.4546 122.7911 58.2939 41.8135 178.0990 94 E 4.0596 8.2707 118.0187 59.7586 30.0926 178.2982 95 T 4.0616 8.0913 115.2171 66.7928 68.4976 176.4947 96 V 3.8689 7.8005 121.3277 65.7409 31.4319 177.4403 97 Y 4.1112 8.2044 114.0381 59.4984 37.7706 176.6895 98 A 4.6306 7.6911 120.8287 50.6304 19.2904 176.8560 99 G 3.9822 7.8685 106.1185 47.7233 0.0000 174.6263 100 L 4.7236 7.7793 115.0733 53.5185 43.3659 176.3199 101 L 4.4031 7.3821 118.6657 54.1768 45.1509 173.3488 102 E 4.5449 8.3726 124.4259 54.5668 30.8062 175.4193 103 P 4.2984 0.0000 0.0000 63.3326 32.0026 178.0474 104 V 3.4171 7.0362 116.4995 62.9427 29.8165 171.4767 *107 K 4.1557 8.2315 116.0680 55.9468 32.9145 176.6420 108 T 3.9100 8.4336 116.7229 65.8771 68.3987 175.2902 109 K 4.3191 7.4132 120.4654 55.4462 30.6482 175.9324 110 E 4.3849 8.9185 127.7965 60.0079 30.1350 177.7316 111 V 3.3535 6.9840 117.1418 61.6009 29.8599 174.4408 112 N 4.6582 8.5409 124.4988 51.9873 38.3139 174.2747 113 P 4.4926 0.0000 0.0000 66.0285 31.5515 178.8983 114 S 4.1922 8.1497 110.6213 60.9959 62.7951 175.0644 115 Q 4.2310 8.0803 118.7980 56.5744 28.9331 175.5309 116 I 4.4194 7.6619 112.3418 59.4252 39.0283 175.3513 117 D 4.7056 9.0514 124.0028 55.5058 41.9055 175.4802 118 L 4.6671 7.3112 118.6003 53.9587 45.9605 173.9114 *120 I 4.2702 8.2603 118.9983 61.5908 38.0305 175.4082 121 V 4.2746 9.1439 128.9778 60.5765 32.4908 174.1905 122 P 4.7011 0.0000 0.0000 62.4481 32.4999 174.9516 123 G 3.6481 8.1611 104.5411 46.4046 0.0000 173.1828 124 V 4.1424 7.9835 120.1427 63.9749 32.9151 176.0901 125 C 5.3237 7.3809 116.2182 58.0019 32.4861 173.2751 126 F 5.4064 9.7230 120.5500 55.8906 43.2649 173.5498 127 D 5.5815 9.0639 120.3323 51.7811 43.5979 177.4688 128 V 3.8299 8.6947 121.2203 64.9076 31.7423 176.2630 129 N 4.8148 8.4849 115.0997 53.4185 38.9182 175.3230 130 G 3.9925 8.3747 106.2321 46.4277 0.0000 173.1905 131 F 5.0094 8.0309 118.2076 56.2632 40.8566 174.9285 132 R 4.8396 8.4254 117.0507 54.5576 33.1509 174.4996 133 V 3.9316 8.0920 120.9273 61.2711 32.7340 176.5478 134 G 4.1028 8.3872 118.2036 45.6936 0.0000 172.1869 135 F 4.4667 8.6424 116.8947 57.0917 39.3304 176.7597 136 G 4.0889 8.4429 109.3316 45.5318 0.0000 175.3602 137 G 3.5775 7.8525 108.3475 47.9525 0.0000 174.5628 138 G 3.9680 8.2595 106.9727 44.7718 0.0000 174.9280 139 Y 4.0186 7.9104 117.9038 61.3059 37.9758 177.1502 140 Y 4.2229 8.3159 114.8093 59.8707 38.0985 177.0519 141 D 4.6646 7.9976 119.5493 55.7887 41.6093 177.3056 142 R 4.3489 7.7687 118.0534 57.9178 31.2749 177.0383 143 Y 4.1649 8.4953 119.3334 60.1796 38.2613 177.7800 144 L 4.3188 8.1093 119.4970 57.3440 41.7522 178.1788 145 S 4.3966 7.9321 112.3855 59.3292 63.0611 174.6048 146 E 4.4017 7.4656 121.1218 55.6051 30.9285 174.8627 147 Y 4.6179 6.9392 120.0278 56.5308 40.1616 175.4570 148 E 4.4473 7.2799 120.9110 56.1557 30.8148 175.8200 149 G 3.7987 5.3800 109.6598 44.6225 0.0000 173.3331 150 K 4.2998 8.5737 121.5276 55.6435 33.5843 176.0139 151 T 4.8969 8.2264 112.9494 60.1263 71.9639 173.2040 152 V 5.0757 8.2906 115.7249 60.1366 36.9565 174.1521 153 S 4.8970 8.7239 117.6373 56.9931 66.9140 173.0487 154 L 4.9415 8.4476 124.9600 53.2966 42.8205 175.8707 155 L 4.6091 8.4428 122.8717 54.4274 44.2369 175.2837 156 L 4.5725 9.0568 120.9933 54.3030 42.5192 178.1965 157 E 3.8666 9.0272 121.6373 59.2364 29.6360 178.1920 158 C 4.2331 7.9417 110.5993 59.0310 29.8435 173.4903 159 Q 4.6302 7.8346 119.0473 55.8066 30.4832 174.5219 160 L 5.0458 7.2751 122.1279 53.5233 43.1296 175.3722 161 F 5.0450 9.4036 123.6530 55.5285 43.4457 176.1233 162 A 4.0940 9.0351 122.2600 55.3349 18.3454 177.5043 163 H 5.8312 7.8017 111.5291 54.4140 33.0470 172.4153 164 V 4.1971 7.6379 123.3293 59.9608 34.1202 172.4706 165 P 4.0540 0.0000 0.0000 62.5670 30.8647 176.0558 166 R 4.3132 8.0975 119.6458 55.3745 30.8746 175.7153 167 L 4.8268 8.4867 117.8607 52.3017 45.6317 175.9234 168 P 4.5439 0.0000 0.0000 64.6178 30.9628 176.3203 169 H 4.8422 7.8885 113.5276 55.3146 30.6309 173.1733 170 D 4.8525 8.3093 120.6595 53.6590 40.9541 175.3886 171 I 4.5007 8.3342 124.6248 58.1690 39.8713 173.3718 172 P 4.2747 0.0000 0.0000 62.3410 31.6412 176.0294 173 V 4.2158 8.6248 119.8503 61.2040 32.6944 176.8666 174 H 4.2519 9.6073 120.6238 58.0494 29.5226 175.5186 175 K 4.8296 8.2259 116.4857 54.3807 36.1499 175.4626 176 L 4.7559 9.1101 123.1018 53.1347 44.5860 175.1177 177 I 4.4316 8.5349 125.6014 59.3328 39.8395 174.3967 178 T 5.8293 8.5689 123.0275 58.7628 70.7793 174.2279 179 E 3.7559 8.8392 120.4921 58.2206 29.8431 177.1337 180 D 4.7223 7.8280 118.1028 55.5484 42.9434 175.5703 181 R 4.0330 7.0181 114.0712 55.5582 31.9675 172.7305 182 I 4.7646 7.6986 116.4052 60.0473 41.3086 175.5921 183 I 4.6726 9.1506 128.8601 59.6826 40.9902 174.7186 184 S 5.0900 8.3221 120.9666 57.2612 65.4517 174.2459 185 C 4.7916 7.4142 113.1891 59.1133 34.1249 173.8643 186 F 4.0484 8.2655 120.9216 58.7643 39.0434 176.4301 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 Q 8.20 4.27 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 5 L 7.77 3.44 0.00 1.51 1.24 0.68 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.65 3.84 0.00 1.84 1.87 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 7 K 7.86 3.93 0.00 1.99 1.82 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.60 7.81 8 K 8.04 3.95 0.00 1.73 1.97 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.67 7.81 9 T 7.98 4.00 4.51 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 1.37 0.00 0.00 10 L 7.70 3.83 0.00 1.70 1.90 0.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.13 3.94 0.00 2.20 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 2.34 2.61 0.00 12 A 7.56 4.01 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 13 L 8.74 4.11 0.00 1.78 1.76 0.98 0.92 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 14 S 7.96 4.18 0.00 4.05 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 15 A 7.93 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.07 4.05 0.00 1.81 1.62 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.57 4.54 0.00 4.04 3.98 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 0.00 0.00 0.00 18 N 8.79 4.24 0.00 2.83 2.95 0.00 0.00 6.91 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 19 E 8.12 3.98 0.00 1.97 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 2.40 2.34 0.00 20 D 7.68 4.31 0.00 3.00 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 21 I 7.82 3.63 1.87 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 1.40 0.80 0.90 0.00 0.00 22 L 8.03 4.04 0.00 1.95 1.66 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.85 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 24 K 8.42 4.10 0.00 1.85 1.75 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.57 7.81 25 T 8.05 3.66 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 1.12 0.00 0.00 26 E 7.54 4.23 0.00 2.16 2.02 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 2.67 2.50 0.00 27 R 7.16 3.97 0.00 1.87 1.76 0.00 3.07 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 *29 Y 8.05 4.02 0.00 2.77 1.83 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 30 K 7.77 3.67 0.00 1.47 1.59 0.00 1.59 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 1.51 1.42 7.81 31 Y 6.94 4.20 0.00 2.77 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 32 L 7.72 3.97 0.00 1.45 1.10 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.44 4.06 0.00 2.89 2.84 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 34 S 7.98 4.54 0.00 4.14 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 0.00 35 L 7.49 4.75 0.00 2.01 1.71 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.36 0.00 2.20 2.13 0.00 3.67 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 2.15 2.22 0.00 37 E 8.34 4.00 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 38 W 8.04 4.49 0.00 3.64 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 39 Q 7.96 4.01 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.75 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 40 N 8.30 4.49 0.00 2.69 2.84 0.00 0.00 7.11 7.30 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 41 A 7.38 4.16 1.15 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 0.00 0.00 42 G 8.77 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 0.00 0.00 0.00 43 T 8.97 5.21 4.35 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 1.28 0.00 0.00 44 I 8.78 4.91 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.55 0.57 0.00 0.00 45 A 9.11 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.31 4.57 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 1.05 0.00 0.00 47 T 8.62 4.79 4.25 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 1.36 0.00 0.00 48 I 7.94 4.22 1.64 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 1.13 0.25 0.04 0.00 0.00 49 S 8.55 4.37 0.00 4.30 4.36 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.63 0.00 1.69 1.87 0.00 3.20 0.00 0.00 3.11 7.34 0.00 0.00 0.00 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3.10 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 133 V 8.09 3.93 1.95 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 0.76 0.00 0.00 0.79 0.00 0.00 134 G 8.39 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 0.00 0.00 0.00 0.00 135 F 8.64 4.47 0.00 3.09 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 0.00 136 G 8.44 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.85 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 0.00 0.00 0.00 138 G 8.26 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.91 4.02 0.00 3.15 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 0.00 140 Y 8.32 4.22 0.00 3.11 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 0.00 141 D 8.00 4.66 0.00 2.79 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 0.00 142 R 7.77 4.35 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.47 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 143 Y 8.50 4.16 0.00 3.14 2.92 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 0.00 144 L 8.11 4.32 0.00 1.90 1.88 1.18 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.93 4.40 0.00 4.05 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 0.00 146 E 7.47 4.40 0.00 1.76 1.75 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 2.09 2.21 0.00 147 Y 6.94 4.62 0.00 2.88 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 0.00 148 E 7.28 4.45 0.00 1.90 1.82 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 1.99 2.06 0.00 149 G 5.38 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 0.00 150 K 8.57 4.30 0.00 1.97 1.78 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 151 T 8.23 4.90 4.38 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 1.48 0.00 0.00 152 V 8.29 5.08 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 0.89 0.00 0.00 1.02 0.00 0.00 153 S 8.72 4.90 0.00 3.51 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 0.00 154 L 8.45 4.94 0.00 1.45 1.45 0.89 0.84 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 0.00 155 L 8.44 4.61 0.00 1.76 1.45 0.47 0.50 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 0.00 156 L 9.06 4.57 0.00 1.64 1.57 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.03 3.87 0.00 2.09 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 2.18 0.00 158 C 7.94 4.23 0.00 3.09 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 7.83 4.63 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 160 L 7.28 5.05 0.00 1.55 1.53 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 F 9.40 5.04 0.00 2.94 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 0.00 162 A 9.04 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 5.83 0.00 3.05 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.64 4.20 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 0.83 0.00 0.00 0.97 0.00 0.00 165 P 0.00 4.05 0.00 2.00 2.01 0.00 3.61 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 1.96 2.06 0.00 166 R 8.10 4.31 0.00 1.60 1.51 0.00 2.83 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 167 L 8.49 4.83 0.00 2.05 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.54 0.00 2.11 2.15 0.00 3.75 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 2.16 2.04 0.00 169 H 7.89 4.84 0.00 3.11 3.38 0.00 5.90 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 8.31 4.85 0.00 2.96 3.04 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 0.00 171 I 8.33 4.50 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 1.04 0.00 0.00 172 P 0.00 4.27 0.00 1.95 0.49 0.00 3.79 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.70 0.00 173 V 8.62 4.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.07 0.00 0.00 174 H 9.61 4.25 0.00 3.35 3.35 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.23 4.83 0.00 1.71 1.62 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 176 L 9.11 4.76 0.00 1.41 1.40 1.00 0.73 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 0.00 177 I 8.53 4.43 1.73 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.42 0.82 0.00 0.00 178 T 8.57 5.83 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 179 E 8.84 3.76 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 180 D 7.83 4.72 0.00 2.61 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 0.00 181 R 7.02 4.03 0.00 1.67 1.86 0.00 2.72 0.00 0.00 3.02 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 182 I 7.70 4.76 1.44 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.62 0.00 0.00 183 I 9.15 4.67 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 0.89 0.00 0.00 184 S 8.32 5.09 0.00 3.72 3.75 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 0.00 185 C 7.41 4.79 0.00 3.10 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 0.00 186 F 8.27 4.05 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.