NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 39 A 4.2916 8.2649 123.5793 51.9508 20.6030 177.3070 40 L 3.6765 7.8650 113.8366 54.6101 41.9522 171.4409 41 V 4.2685 8.9439 124.5502 60.2481 33.6206 173.2665 42 P 4.6770 0.0000 0.0000 62.5462 31.9881 176.3652 43 L 4.3034 8.5823 123.0449 54.7803 42.3224 177.3758 44 L 4.3791 9.1613 122.5268 54.3071 43.1912 176.1189 45 Y 3.0166 8.4597 122.0454 59.1293 38.7977 176.4886 46 K 3.9640 7.7463 124.7673 56.9773 30.5526 175.7529 47 Q 4.2988 8.1057 121.5028 55.8896 30.2095 174.7863 48 F 5.2859 7.6351 118.0542 55.0385 41.4390 174.1686 49 V 4.5353 8.4315 120.4145 60.4709 34.4919 173.5428 50 P 4.7323 0.0000 0.0000 62.5193 32.5306 177.1207 51 G 3.9307 8.3058 108.5259 44.0773 0.0000 173.4958 52 V 4.7196 7.7521 110.8170 59.2841 36.5479 173.5189 53 P 3.9695 0.0000 0.0000 62.4265 32.0594 177.1057 54 E 2.5400 7.4533 122.1301 58.7890 29.2446 178.4190 55 R 4.8887 7.1818 113.8132 55.6179 30.3666 176.4630 56 T 4.0077 7.5292 116.4564 63.3004 68.9085 175.7487 57 L 3.9685 8.5707 125.3809 57.7417 41.9088 179.0674 58 G 3.8026 8.1615 106.3612 47.8336 0.0000 173.6063 59 A 4.7546 7.7071 120.3329 52.4601 17.3298 179.6528 60 S 4.4126 8.0547 122.2188 60.2133 63.6543 174.8718 61 G 4.2579 7.9187 106.5472 43.9870 0.0000 170.9296 62 P 4.5548 0.0000 0.0000 61.7487 31.9036 176.6817 63 A 4.2429 8.3017 123.4715 52.5533 18.8088 177.6021 64 E 4.4653 8.8231 119.4826 55.2785 30.6339 175.7985 65 G 4.1456 8.4311 105.1904 43.0813 0.0000 173.8049 66 R 4.0587 8.3773 121.0700 56.4598 30.6655 175.8277 67 V 4.3693 9.2326 127.3456 61.8209 32.5925 174.6475 68 A 4.9984 8.5845 129.9001 49.6871 21.6165 175.5052 69 R 2.5100 8.8473 121.2560 57.7523 30.1610 176.2790 70 G 3.9821 8.2186 112.8737 45.2638 0.0000 173.7181 71 S 4.6715 7.4647 114.5123 56.8252 66.4610 174.4826 72 E 4.0897 8.6335 120.4659 60.0832 29.0415 180.0356 73 R 4.0059 7.9841 117.0624 58.8716 30.0730 178.9125 74 F 3.9795 8.0247 121.1479 61.0104 39.2547 176.5913 75 R 3.9259 7.8253 115.3855 57.5468 29.9428 176.7101 76 D 4.6620 7.1949 116.4669 53.9078 41.8725 175.8089 77 L 4.3516 6.9908 120.5883 53.9660 42.8493 176.3730 78 V 4.3745 8.6175 123.1280 60.2941 34.3875 172.6259 79 P 4.6384 0.0000 0.0000 62.2007 32.2913 174.8930 80 N 4.4339 8.6216 124.4498 52.2958 39.3089 174.0855 81 Y 4.6991 8.0998 124.8330 57.4326 38.8266 175.5056 82 N 4.4009 8.9760 120.4922 53.5834 39.0980 173.7166 83 P 4.6147 0.0000 0.0000 64.6845 31.8802 176.7377 84 D 4.5759 9.3233 119.0088 55.4639 41.0903 175.7982 85 I 4.5546 7.4194 120.6339 59.4371 39.0160 175.3003 86 I 4.2264 8.3818 128.4971 60.7410 38.1825 174.9410 87 F 5.1407 9.0034 125.5335 55.5159 41.3112 175.4164 88 K 4.3211 8.5911 121.2284 56.1143 32.8168 177.7218 *94 G 3.7489 7.7605 108.2039 44.8730 0.0000 175.3380 95 A 4.3576 8.3932 124.4593 55.2256 18.6773 180.1433 96 D 4.6632 8.1296 112.6482 55.4558 39.9385 177.4137 97 R 3.8805 7.9288 119.4791 57.9717 30.4476 175.8643 98 L 4.7797 7.9104 119.1066 54.2779 42.2487 176.2621 99 M 5.0476 8.7151 120.9273 53.8998 35.7255 174.3070 100 T 4.4141 8.3761 109.7890 60.8236 70.7022 175.8777 101 E 3.8498 8.7372 121.7454 59.3035 29.5175 178.4066 102 R 3.8035 7.9485 118.2755 59.5907 30.1055 177.6746 103 C 4.0598 7.6700 117.0899 62.4838 31.7199 175.1859 104 K 3.8654 8.1165 121.1125 59.7373 31.7789 178.3077 105 E 3.9277 8.0935 118.4878 59.7062 29.3627 179.7135 106 R 3.7435 7.5817 117.9860 58.7744 29.8716 179.4924 107 V 3.9326 7.8776 119.2238 64.9715 31.5835 178.2365 108 N 4.2760 8.1655 116.5810 55.9228 38.3827 177.2015 109 A 3.9867 7.8997 121.8625 55.1816 18.4165 179.5191 110 L 3.9898 8.2763 118.8220 57.8769 42.1966 178.8034 111 A 4.0152 8.7099 121.5777 55.3662 18.3502 179.5388 112 I 3.6409 7.6930 117.6028 64.4547 37.1302 178.4545 113 A 3.9185 7.8469 121.3627 55.2682 18.1882 179.6432 114 V 3.5948 8.0935 117.0206 66.6211 31.3066 178.1652 115 M 4.2684 7.7271 116.6331 58.6292 31.9164 178.2004 116 N 4.4291 7.9973 115.3988 56.2561 38.6871 177.0523 117 M 4.0321 7.7635 118.9360 56.8001 32.9131 176.5127 118 W 4.6988 8.0512 124.3053 53.6898 30.2156 172.8676 119 P 4.3734 0.0000 0.0000 64.5085 31.2612 174.9695 120 G 4.2260 9.1988 111.0926 45.6151 0.0000 174.0827 121 V 4.0419 7.3016 117.9559 62.6234 32.4424 175.8929 122 R 4.8520 9.0188 124.0747 53.8242 34.9198 174.4587 123 L 4.2970 8.5960 123.5896 55.5960 43.5364 175.5743 124 R 4.9023 8.7728 125.6751 54.4324 33.5284 173.7914 125 V 4.6791 8.9788 127.0922 61.5423 33.0190 175.8123 126 T 4.3930 8.7610 118.3617 62.7642 70.6369 174.7646 127 E 4.6806 7.8616 121.8125 55.0715 33.3043 172.8427 128 G 4.3313 8.9076 112.9964 45.2971 0.0000 175.7808 129 W 4.6090 9.5757 130.7047 56.9956 31.3833 173.5034 130 D 4.5307 8.6085 125.9274 52.3063 41.9574 175.4648 131 E 3.9801 7.9230 123.7014 56.5705 30.7605 175.9672 132 D 4.6798 7.8805 119.7428 55.2207 41.8627 176.9233 133 G 4.1603 7.9584 102.8893 47.5500 0.0000 173.5345 134 H 4.9187 9.2435 110.9941 55.7587 29.9962 174.2019 135 H 4.8256 8.1220 115.4507 53.4123 32.0544 173.0822 136 A 4.3242 8.3317 124.3045 51.6489 19.0743 176.8089 137 Q 4.0443 8.3781 120.5693 57.6246 29.4855 175.6722 138 D 4.5693 8.9755 122.3235 54.8296 38.6585 173.9953 139 S 4.2662 7.8044 114.7487 58.5722 62.8703 174.8852 140 L 4.4508 8.5090 125.5248 56.2509 42.0260 178.4533 141 H 4.3159 8.1948 116.9218 58.4234 28.9308 176.4323 142 Y 4.6064 7.8932 115.7450 59.0538 37.8449 176.1360 143 E 4.7120 8.0353 117.1792 55.4466 31.6651 176.1344 144 G 3.9502 8.7342 106.7998 46.2283 0.0000 174.8007 145 R 4.7651 8.0266 115.8327 55.5193 31.8115 175.2939 146 A 5.2484 7.8331 120.5112 50.1982 23.1380 175.1628 147 L 4.9709 8.7663 119.3959 53.2584 46.6084 175.0641 148 D 5.4068 9.5696 123.7264 52.8884 43.0253 175.6614 149 I 5.0740 8.6505 116.3710 59.4605 41.7022 174.3431 150 T 4.5075 8.7565 113.3600 60.3698 72.8234 172.3636 151 T 4.7536 8.2305 110.7635 60.2964 70.4420 176.0718 152 S 4.0530 8.8903 119.0703 61.5050 62.8632 175.3905 153 D 4.4318 7.9691 117.7532 53.2460 39.7347 176.2770 154 R 4.3092 7.8295 117.5489 56.9445 28.1268 177.0158 155 D 4.3570 7.4705 118.5643 53.0949 40.5678 175.4622 156 R 2.0000 7.9105 126.5574 58.6784 29.8722 178.1856 157 N 4.2750 7.8444 114.3984 55.6890 38.8428 176.9048 158 K 4.0875 7.8363 119.7393 58.8231 32.0856 178.7242 159 Y 4.3502 7.9628 117.9261 60.7109 37.5773 178.3283 160 G 3.4796 7.9020 106.3957 47.2068 0.0000 175.4310 161 L 4.1077 7.9280 122.2283 57.7555 42.2969 178.3492 162 L 4.1375 8.3396 120.2613 58.0371 41.9997 178.8185 163 A 3.8698 7.9693 120.7486 55.2254 18.4490 179.6427 164 R 3.8573 7.8514 116.6764 59.4336 30.3166 178.3127 165 L 3.9730 8.3411 119.0448 58.0014 41.5346 179.4912 166 A 4.2515 8.0285 120.5052 55.0751 18.1104 179.8462 167 V 3.6362 7.7484 116.9081 66.2413 31.4345 177.8702 168 E 4.1541 7.9043 115.7079 58.1314 29.5670 178.0762 169 A 4.2942 7.7476 119.4385 52.5999 18.7163 177.8333 170 G 3.8232 7.7658 105.5532 45.4745 0.0000 173.7227 171 F 4.3205 7.6803 118.4360 57.0219 39.3764 175.9152 172 D 4.7298 8.7455 125.2682 56.5282 41.6067 176.7170 173 W 5.5772 8.3128 127.9195 55.7533 34.5404 173.8265 174 V 4.7468 8.2956 126.0837 61.1841 34.6345 173.4891 175 Y 4.9169 9.0031 128.2757 55.6809 41.7989 174.6025 176 Y 4.7725 8.6366 131.1459 57.3532 35.8836 175.9546 177 E 2.5400 7.7619 120.0080 57.7901 29.5266 177.4125 178 S 4.5540 7.3776 112.8417 57.0738 66.0245 175.3605 179 R 4.3445 8.8336 120.4322 58.8781 29.8401 176.5544 180 N 5.0859 7.4631 110.5145 53.5547 39.4799 173.9785 181 H 4.5813 7.8993 112.6733 54.6914 32.3345 172.7991 182 V 4.2907 7.8788 119.6693 61.7358 33.6280 173.8788 183 H 5.4402 9.3443 127.3477 54.7341 32.2757 173.5093 184 V 5.0982 8.1630 117.1970 60.2122 36.5669 174.0560 185 S 5.2688 9.0985 116.5932 57.7758 66.8173 173.0186 186 V 5.2072 8.5122 112.9921 59.1966 35.4988 176.1086 187 K 4.7586 9.4890 121.1432 55.9627 32.4099 177.3736 188 A 4.3709 8.2437 124.2102 52.1531 19.7673 177.1620 189 D 5.0179 8.3270 116.7988 53.9902 41.2531 174.0708 190 N 5.1195 7.7171 115.7403 51.1865 40.8637 173.0188 191 S 4.9069 8.1301 113.7404 58.2528 66.7896 172.7682 192 L 4.4579 8.1555 126.8180 55.1051 47.5569 177.8543 193 A 4.4466 8.6100 131.7503 53.0230 22.2071 175.5055 194 V 4.6580 8.0756 111.4215 60.0713 33.8376 174.2628 195 L 4.6978 8.4404 123.0584 54.2055 43.9343 176.4148 196 E 4.8103 8.3685 123.7527 54.4211 33.6599 174.9192 197 H 4.3426 8.6225 117.0272 56.3501 29.4614 175.4633 198 H 4.5476 8.6666 119.8918 56.4362 29.7255 174.7709 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 39 A 8.26 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.87 3.68 0.00 1.69 1.64 0.85 0.52 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 41 V 8.94 4.27 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 0.85 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.68 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 43 L 8.58 4.30 0.00 1.57 1.79 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.16 4.38 0.00 1.67 1.62 0.93 0.75 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 45 Y 8.46 3.02 0.00 2.45 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 46 K 7.75 3.96 0.00 1.72 1.90 0.00 1.70 0.00 0.00 1.33 0.00 0.00 2.43 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.92 7.81 47 Q 8.11 4.30 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 48 F 7.64 5.29 0.00 2.28 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 0.00 0.00 0.00 0.00 49 V 8.43 4.54 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 1.02 0.00 0.00 0.90 0.00 0.00 50 P 0.00 4.73 0.00 2.35 2.16 0.00 4.27 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 51 G 8.31 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 52 V 7.75 4.72 2.15 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 0.79 0.00 0.00 1.10 0.00 0.00 53 P 0.00 3.97 0.00 1.99 1.75 0.00 3.60 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 2.05 2.01 0.00 54 E 7.45 2.54 0.00 1.16 1.12 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 1.96 1.78 0.00 55 R 7.18 4.89 0.00 1.69 1.83 0.00 3.26 0.00 0.00 3.95 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.42 0.00 56 T 7.53 4.01 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 1.24 0.00 0.00 57 L 8.57 3.97 0.00 1.63 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.16 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 59 A 7.71 4.75 1.08 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 0.00 0.00 60 S 8.05 4.41 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 61 G 7.92 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 0.00 0.00 0.00 62 P 0.00 4.55 0.00 2.04 1.97 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 63 A 8.30 4.24 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 64 E 8.82 4.47 0.00 2.00 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 2.25 2.23 0.00 65 G 8.43 4.15 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 0.00 66 R 8.38 4.06 0.00 1.57 1.75 0.00 2.21 0.00 0.00 2.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 67 V 9.23 4.37 2.52 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 0.91 0.00 0.00 1.09 0.00 0.00 68 A 8.58 5.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.85 2.51 0.00 1.73 1.79 0.00 3.17 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.00 70 G 8.22 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 0.00 0.00 0.00 71 S 7.46 4.67 0.00 4.09 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 72 E 8.63 4.09 0.00 2.02 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 0.00 2.42 2.37 0.00 73 R 7.98 4.01 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 74 F 8.02 3.98 0.00 3.14 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 75 R 7.83 3.93 0.00 2.14 1.96 0.00 3.32 0.00 0.00 3.31 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 76 D 7.19 4.66 0.00 2.68 2.58 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 77 L 6.99 4.35 0.00 1.00 1.29 0.07 0.63 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 78 V 8.62 4.37 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 0.91 0.00 0.00 0.84 0.00 0.00 79 P 0.00 4.64 0.00 1.09 1.75 0.00 3.69 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 80 N 8.62 4.43 0.00 2.67 2.79 0.00 0.00 7.16 7.58 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 81 Y 8.10 4.70 0.00 3.01 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 82 N 8.98 4.40 0.00 3.06 2.92 0.00 0.00 7.01 7.25 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 83 P 0.00 4.61 0.00 2.28 2.22 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 84 D 9.32 4.58 0.00 2.89 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 85 I 7.42 4.55 1.79 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 1.15 0.59 -0.13 0.00 0.00 86 I 8.38 4.23 1.81 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 1.22 1.19 0.93 0.00 0.00 87 F 9.00 5.14 0.00 2.91 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.59 4.32 0.00 1.70 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *94 G 7.76 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 0.00 0.00 0.00 95 A 8.39 4.36 1.49 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 96 D 8.13 4.66 0.00 2.99 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 97 R 7.93 3.88 0.00 1.87 1.55 0.00 2.88 0.00 0.00 2.66 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 98 L 7.91 4.78 0.00 1.70 1.30 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 M 8.72 5.05 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 100 T 8.38 4.41 4.21 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 1.18 0.00 0.00 101 E 8.74 3.85 0.00 2.06 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 0.00 2.35 2.39 0.00 102 R 7.95 3.80 0.00 1.89 1.90 0.00 3.36 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 103 C 7.67 4.06 0.00 3.13 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 0.00 104 K 8.12 3.87 0.00 1.85 2.04 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 105 E 8.09 3.93 0.00 2.14 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 2.54 2.45 0.00 106 R 7.58 3.74 0.00 0.95 0.66 0.00 2.97 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.49 0.00 107 V 7.88 3.93 2.37 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 1.04 0.00 0.00 1.01 0.00 0.00 108 N 8.17 4.28 0.00 3.03 2.93 0.00 0.00 6.91 7.52 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 0.00 109 A 7.90 3.99 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 0.00 110 L 8.28 3.99 0.00 2.08 2.02 1.03 1.43 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 0.00 111 A 8.71 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.64 2.05 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 1.47 1.07 0.91 0.00 0.00 113 A 7.85 3.92 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 0.00 114 V 8.09 3.59 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 1.37 0.00 0.00 1.13 0.00 0.00 115 M 7.73 4.27 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 116 N 8.00 4.43 0.00 2.78 2.82 0.00 0.00 7.05 6.97 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 0.00 117 M 7.76 4.03 0.00 1.14 1.54 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 118 W 8.05 4.70 0.00 3.52 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 0.00 119 P 0.00 4.37 0.00 2.09 2.07 0.00 3.74 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 2.08 2.14 0.00 120 G 9.20 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 0.00 0.00 0.00 0.00 121 V 7.30 4.04 2.42 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 0.78 0.00 0.00 0.95 0.00 0.00 122 R 9.02 4.85 0.00 1.73 1.91 0.00 3.34 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 123 L 8.60 4.30 0.00 1.79 1.51 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.77 4.90 0.00 1.83 1.78 0.00 3.07 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 125 V 8.98 4.68 1.57 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 0.98 0.00 0.00 0.64 0.00 0.00 126 T 8.76 4.39 4.18 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 1.15 0.00 0.00 127 E 7.86 4.68 0.00 2.03 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 2.17 2.33 0.00 128 G 8.91 4.33 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 0.00 129 W 9.58 4.61 0.00 3.39 3.44 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 0.00 130 D 8.61 4.53 0.00 2.36 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 0.00 0.00 0.00 0.00 131 E 7.92 3.98 0.00 1.74 1.12 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 1.80 2.08 0.00 132 D 7.88 4.68 0.00 2.64 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 0.00 133 G 7.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 9.24 4.92 0.00 2.96 3.14 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.12 4.83 0.00 2.26 2.94 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.33 4.32 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 0.00 137 Q 8.38 4.04 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 138 D 8.98 4.57 0.00 2.89 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 0.00 139 S 7.80 4.27 0.00 3.99 3.76 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 0.00 140 L 8.51 4.45 0.00 1.80 1.73 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.19 4.32 0.00 2.70 3.11 0.00 5.61 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 0.00 142 Y 7.89 4.61 0.00 3.28 3.01 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 0.00 143 E 8.04 4.71 0.00 2.01 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 2.51 2.46 0.00 144 G 8.73 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 0.00 0.00 0.00 145 R 8.03 4.77 0.00 1.93 2.12 0.00 3.38 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 146 A 7.83 5.25 0.93 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 0.00 147 L 8.77 4.97 0.00 1.40 1.44 1.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 148 D 9.57 5.41 0.00 2.47 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 0.00 149 I 8.65 5.07 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.74 0.00 0.00 150 T 8.76 4.51 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 1.03 0.00 0.00 151 T 8.23 4.75 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 0.97 0.00 0.00 152 S 8.89 4.05 0.00 3.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 7.97 4.43 0.00 2.74 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 0.00 154 R 7.83 4.31 0.00 1.97 2.09 0.00 3.12 0.00 0.00 3.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 155 D 7.47 4.36 0.00 2.60 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 0.00 156 R 7.91 2.00 0.00 1.58 1.64 0.00 3.22 0.00 0.00 3.64 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 157 N 7.84 4.27 0.00 2.56 2.83 0.00 0.00 6.93 7.61 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 0.00 158 K 7.84 4.09 0.00 1.60 1.08 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.18 7.81 159 Y 7.96 4.35 0.00 2.74 2.49 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 0.00 160 G 7.90 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.93 4.11 0.00 1.88 2.21 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.34 4.14 0.00 1.98 1.78 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.97 3.87 1.30 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 0.00 0.00 164 R 7.85 3.86 0.00 2.03 2.14 0.00 3.25 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 165 L 8.34 3.97 0.00 1.92 1.73 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.03 4.25 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 0.00 167 V 7.75 3.64 2.26 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 1.06 0.00 0.00 0.98 0.00 0.00 168 E 7.90 4.15 0.00 2.13 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 2.61 2.46 0.00 169 A 7.75 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.77 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 0.00 171 F 7.68 4.32 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 8.75 4.73 0.00 2.74 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 W 8.31 5.58 0.00 3.37 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 0.00 174 V 8.30 4.75 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 0.95 0.00 0.00 0.97 0.00 0.00 175 Y 9.00 4.92 0.00 1.56 2.49 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 0.00 176 Y 8.64 4.77 0.00 3.04 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 0.00 177 E 7.76 2.54 0.00 1.16 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 2.05 2.04 0.00 178 S 7.38 4.55 0.00 3.99 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 0.00 179 R 8.83 4.34 0.00 1.80 2.07 0.00 3.13 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 180 N 7.46 5.09 0.00 2.82 2.95 0.00 0.00 6.83 8.04 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 0.00 181 H 7.90 4.58 0.00 3.11 3.26 0.00 5.25 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 7.88 4.29 1.85 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 0.88 0.00 0.00 0.62 0.00 0.00 183 H 9.34 5.44 0.00 3.40 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.16 5.10 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 0.34 0.00 0.00 0.38 0.00 0.00 185 S 9.10 5.27 0.00 4.08 4.08 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 0.00 186 V 8.51 5.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 187 K 9.49 4.76 0.00 1.74 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.55 7.81 188 A 8.24 4.37 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 0.00 189 D 8.33 5.02 0.00 2.62 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 0.00 190 N 7.72 5.12 0.00 2.78 2.80 0.00 0.00 6.29 7.64 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 0.00 191 S 8.13 4.91 0.00 3.87 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 0.00 192 L 8.16 4.46 0.00 1.58 0.92 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.61 4.45 1.20 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 0.00 0.00 194 V 8.08 4.66 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 0.74 0.00 0.00 0.93 0.00 0.00 195 L 8.44 4.70 0.00 1.53 1.51 0.91 0.77 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 0.00 196 E 8.37 4.81 0.00 1.95 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 2.20 2.25 0.00 197 H 8.62 4.34 0.00 3.15 3.25 0.00 5.68 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 0.00 198 H 8.67 4.55 0.00 3.08 3.19 0.00 5.78 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.