NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 A 4.1797 8.1227 123.5834 52.3975 19.7844 178.4166 *27 T 4.2538 8.4368 106.4134 63.3092 69.3497 175.7788 28 N 4.4406 7.9607 118.7967 56.5994 38.9865 176.5250 29 N 4.3695 8.2402 118.0564 56.3932 38.6910 177.3911 30 L 4.0885 7.9656 119.8610 57.8584 41.6175 178.8977 31 Y 4.1477 7.9644 119.2285 60.8131 38.9213 178.0173 32 R 3.8566 8.2830 119.0283 59.0263 29.9454 179.1990 33 L 4.0013 7.8884 118.8970 57.7841 41.4805 179.1426 34 E 3.9679 8.0808 117.8878 58.7458 29.6669 177.9176 35 L 4.1157 7.5518 119.0603 57.3577 42.6970 177.4923 36 E 4.0504 7.8169 114.9462 56.6436 30.1506 176.7135 37 R 3.9806 8.0971 116.8883 55.2934 27.6100 175.0111 38 E 4.9375 7.3553 112.2234 56.2829 33.2105 173.6074 39 C 4.9798 8.4557 113.8005 55.5421 45.9858 174.1734 40 V 3.9244 8.3894 120.0619 64.4375 31.7311 175.9317 41 G 3.9470 9.1397 114.6768 45.7537 0.0000 173.2477 42 C 4.3302 7.8673 117.5681 57.0415 40.6989 172.9079 43 N 5.2192 8.3842 119.2318 51.4338 38.2073 174.9234 44 L 4.7916 8.5349 126.5997 53.8703 42.8605 176.8999 45 E 4.0872 8.2659 118.5578 57.9078 29.7731 178.1695 46 G 4.1386 8.9664 111.1292 45.0052 0.0000 174.1658 47 V 3.7902 7.4103 113.3055 61.3628 33.0090 175.1336 48 N 4.9558 8.7459 122.3020 51.3312 39.0031 174.5119 49 L 5.1212 8.3211 129.8430 52.9946 41.1235 175.1066 50 P 4.5792 0.0000 0.0000 63.3243 32.7383 175.9971 51 R 3.8872 8.4739 115.4707 56.4381 28.3545 176.1689 52 E 4.3573 8.0215 115.5811 54.8374 32.7858 175.3865 53 N 4.8964 8.0260 119.4299 51.6965 40.0994 173.4400 54 F 5.0763 9.0628 126.4790 57.2133 40.1789 175.6964 55 G 4.3606 8.2511 108.7423 43.8911 0.0000 174.1521 56 L 4.6356 8.0961 116.9336 54.5182 42.2961 178.0108 57 K 3.8636 7.9082 120.6468 58.1830 32.6171 175.6541 58 Y 5.5814 7.3565 112.8885 56.5341 42.6096 174.6644 59 R 4.6682 8.7250 114.3213 55.3934 33.2313 174.5258 60 I 4.3916 8.3018 122.8288 59.0943 38.1692 173.7692 61 P 4.3242 0.0000 0.0000 64.1387 32.2078 177.0812 *65 S 4.2503 7.6694 114.4339 58.0695 63.2699 172.4184 66 P 4.5522 0.0000 0.0000 64.4260 31.1509 177.6803 67 L 4.4294 7.5935 118.1400 55.0664 42.3025 177.4336 68 V 3.9304 7.4226 117.8191 63.0461 31.3732 175.6726 69 T 3.9729 7.1323 112.9192 63.4584 67.7021 172.9780 70 T 4.7253 8.5286 121.9661 59.9232 70.7001 172.6325 71 P 4.8041 0.0000 0.0000 64.2586 32.0218 177.0143 72 F 4.3089 6.8087 118.0026 59.0070 39.7044 175.6754 73 G 3.9158 8.7238 112.8336 46.1977 0.0000 173.0011 *75 D 4.6502 7.5718 117.1443 52.4150 41.9394 176.3948 76 K 4.4879 7.8136 119.3782 53.6997 31.8111 173.9171 77 A 4.7173 7.6397 122.7800 49.6757 22.6612 176.0579 78 K 4.4950 8.3739 120.6179 54.7394 34.4322 174.7273 79 P 4.5171 0.0000 0.0000 62.4113 32.5313 176.1366 80 V 3.8899 8.4584 122.4347 63.3483 32.9711 173.9275 81 D 5.0279 8.7870 127.9456 52.3698 42.8735 176.1951 82 L 4.9948 8.7790 129.5221 54.2649 43.1357 177.1605 83 T 4.1349 8.2141 115.7973 65.4105 68.8276 174.9364 84 R 4.4288 9.2403 121.7874 55.9279 28.8685 175.9503 85 A 4.2880 7.7127 119.7729 51.8677 20.0578 176.8492 86 N 5.1618 8.8465 118.9398 51.8356 40.9261 174.6093 87 L 4.9332 9.0278 125.8044 54.3756 43.9703 176.6006 88 S 4.2295 8.2629 115.9654 60.7011 63.1903 174.8972 89 N 4.6516 9.4072 119.5075 53.3367 36.8210 173.9356 90 A 4.4241 7.9901 120.8615 51.6388 20.5814 176.7159 91 N 4.9738 9.2442 118.9468 51.8523 40.8606 174.6806 92 L 5.1851 8.6439 126.0891 54.4752 44.0446 175.6906 93 Y 4.4782 8.3105 120.2616 59.7130 38.9981 176.5978 94 Q 4.0315 8.2207 123.4218 55.8450 27.3902 173.3226 95 S 4.6984 7.8149 113.4291 57.9555 64.9271 172.7981 96 D 4.9529 8.9985 123.5074 53.0916 42.4866 176.4077 97 L 5.2105 8.9937 126.5869 54.1906 44.1146 176.5784 98 S 4.4232 8.8237 114.9490 60.1603 63.0601 174.7801 99 S 4.3826 9.2988 118.4958 58.6038 61.1141 171.7473 100 I 3.9159 7.6232 121.2252 61.2225 39.4324 175.1638 101 I 4.6240 8.5576 128.2667 59.4617 38.8762 175.9479 102 L 4.9527 8.6946 131.1390 53.8853 42.9795 176.7146 103 E 4.2889 8.3578 119.8563 57.7473 30.4177 176.0607 104 N 4.5028 9.2463 122.4146 54.2031 37.1617 173.7653 105 A 4.7222 7.6396 118.2040 51.5146 20.9107 177.4184 106 I 4.5200 8.7500 121.3773 59.1382 38.8258 176.4413 107 L 5.0199 8.6432 130.1713 52.7757 42.3522 177.6325 108 V 3.9660 7.8352 119.3529 63.9230 32.1117 175.2552 109 E 4.3177 8.9049 125.8306 56.8289 27.4059 174.2506 110 T 4.2392 7.3752 114.4933 63.4701 70.2537 174.0630 111 N 4.7225 9.1429 124.9774 52.5145 38.9257 174.4360 112 L 5.0761 8.9062 126.8862 54.1626 43.5731 176.8404 113 S 4.3916 8.4341 114.5074 59.6677 63.6665 173.9829 114 E 4.0552 9.3970 121.0778 56.5518 27.7116 174.4525 115 T 4.6669 7.2953 107.0032 60.9026 71.6083 173.2495 116 D 4.9289 8.6995 123.0243 52.7350 42.6399 176.1842 117 L 4.9730 8.5803 128.4835 54.1103 43.3530 176.4597 118 E 4.3026 8.5249 120.6690 57.8273 30.2318 176.4440 119 N 4.6855 9.5765 121.2994 53.1605 37.1670 173.9795 120 A 4.5879 7.7443 119.3140 51.9946 20.3122 177.7900 121 I 4.5582 8.8700 121.1865 59.4628 39.2324 176.1783 122 L 4.9762 9.0450 130.0849 53.9880 43.2693 177.0219 123 I 4.0051 8.0170 120.3069 62.9090 37.3659 176.9756 124 G 3.8449 9.3407 112.7838 45.8629 0.0000 173.4938 125 A 4.2460 7.8575 121.8486 51.9333 19.9957 177.1154 126 N 4.8239 9.1605 120.4254 51.9114 40.0454 174.6428 127 L 5.0316 8.4095 128.0218 54.0570 43.4697 176.4187 128 Q 4.1388 8.0127 121.5486 57.7362 29.1862 177.1543 129 G 3.9660 9.2966 112.7898 45.1471 0.0000 172.8055 130 A 4.2816 8.0415 122.2152 51.7415 20.0299 176.8404 131 N 4.8508 9.0270 120.1212 51.9497 40.5849 174.8305 132 L 4.8687 8.4794 126.7548 54.1772 43.7322 176.1621 133 E 4.2532 8.2344 120.2151 58.2742 30.0022 176.7986 134 N 4.5095 9.6101 120.9494 53.1494 37.3266 173.8424 135 A 4.5032 7.8849 119.8032 51.8500 20.2463 176.8611 136 N 4.9700 8.9277 119.0873 51.7670 40.8816 175.1366 137 L 5.0022 8.2713 126.8645 54.2934 43.6441 176.3039 138 Q 4.3490 8.3703 121.2662 57.4660 29.3977 177.0895 139 G 4.0368 8.9055 112.0016 45.2404 0.0000 173.0229 140 A 4.5737 7.8825 121.9553 51.6619 20.1360 176.5657 141 N 5.0944 9.2276 119.8612 51.7021 41.0458 174.8653 142 L 5.1078 8.5284 127.9528 54.0399 43.6043 176.3019 143 E 4.2101 8.4347 120.3035 58.1266 29.8231 176.8493 144 N 4.5462 9.1865 120.6116 53.2306 37.2635 174.2428 145 A 4.3475 7.9188 120.7382 51.9684 20.1486 176.9831 146 N 4.8501 9.0843 120.1269 52.1657 40.3344 174.9837 147 L 4.8025 8.5818 127.2602 54.3770 43.5179 176.7775 148 R 4.1203 8.3420 120.0002 57.5762 29.9796 178.2886 149 G 3.8994 9.2600 110.7542 44.8165 0.0000 173.1129 150 A 4.3683 7.6318 122.4665 51.7461 20.0145 176.5811 151 I 4.5398 8.5776 114.7354 58.8572 39.8549 176.0180 152 L 4.8820 8.5647 128.4347 54.2295 43.1461 176.7275 153 T 4.1110 8.0394 116.1309 65.1660 68.4948 175.0600 154 G 4.0255 8.9103 111.9986 45.7285 0.0000 173.2175 155 V 3.9160 7.4591 118.8740 62.3669 32.3325 175.3936 156 N 4.6358 8.6362 125.5933 52.6212 39.4402 174.7394 157 L 5.3293 8.1837 127.8695 53.8405 43.0319 176.6198 158 E 3.9545 8.2959 121.6712 56.2569 30.5404 176.3820 159 E 3.8231 8.8097 127.2859 57.7582 27.2031 173.9601 160 T 4.5667 7.7302 115.3773 62.5125 69.7909 173.8493 161 H 4.5323 9.0064 127.1482 56.0235 29.3641 174.8065 162 L 4.7473 8.2875 126.4438 54.0710 42.3029 176.2818 163 K 3.8239 7.7023 121.2801 57.9218 32.3533 177.5147 164 G 4.0081 9.0255 113.3028 45.6058 0.0000 173.0905 165 I 4.1407 7.3486 112.9637 61.0492 38.4878 175.1785 166 E 4.9344 8.9202 122.9692 55.0687 32.2702 175.3897 167 T 5.2107 8.2714 112.6384 61.0528 72.9675 171.0446 168 D 4.7477 8.5317 119.6165 52.6283 42.3885 176.4105 169 K 4.1116 8.8416 116.9879 59.7508 32.6287 177.7163 170 N 4.5176 8.2042 116.4038 55.1032 39.0260 175.0436 171 T 3.9490 7.7917 116.1890 63.3390 69.0118 173.6864 172 V 4.3284 8.2345 126.4118 60.9443 33.0446 175.9270 173 W 4.7997 8.8698 125.7044 56.8281 31.1157 175.6077 174 D 4.5352 8.0716 121.9800 54.4196 41.2301 175.2280 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 25 A 8.12 4.18 1.24 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 0.00 0.00 *27 T 8.44 4.25 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 1.21 0.00 0.00 28 N 7.96 4.44 0.00 2.81 2.97 0.00 0.00 7.20 6.71 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 29 N 8.24 4.37 0.00 2.81 2.85 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.97 4.09 0.00 1.93 1.80 0.97 0.84 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 31 Y 7.96 4.15 0.00 3.19 3.16 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 32 R 8.28 3.86 0.00 2.07 2.21 0.00 3.34 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 33 L 7.89 4.00 0.00 1.98 1.76 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.08 3.97 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 35 L 7.55 4.12 0.00 1.02 1.07 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.82 4.05 0.00 2.16 1.94 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 2.20 2.25 0.00 37 R 8.10 3.98 0.00 1.97 1.99 0.00 3.63 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.49 0.00 38 E 7.36 4.94 0.00 2.11 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 2.18 2.23 0.00 39 C 8.46 4.98 0.00 2.83 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 40 V 8.39 3.92 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 0.81 0.00 0.00 0.95 0.00 0.00 41 G 9.14 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 42 C 7.87 4.33 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.38 5.22 0.00 2.69 3.09 0.00 0.00 7.07 7.85 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 44 L 8.53 4.79 0.00 1.73 1.59 0.85 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.27 4.09 0.00 2.07 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 0.00 2.40 2.57 0.00 46 G 8.97 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 0.00 0.00 0.00 47 V 7.41 3.79 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 0.65 0.00 0.00 1.01 0.00 0.00 48 N 8.75 4.96 0.00 2.71 2.76 0.00 0.00 6.81 7.78 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 49 L 8.32 5.12 0.00 1.68 1.79 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.58 0.00 2.31 2.18 0.00 4.05 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 51 R 8.47 3.89 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.07 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 52 E 8.02 4.36 0.00 1.40 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 2.45 2.35 0.00 53 N 8.03 4.90 0.00 2.56 2.57 0.00 0.00 6.81 7.02 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 54 F 9.06 5.08 0.00 3.06 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 55 G 8.25 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 0.00 0.00 0.00 56 L 8.10 4.64 0.00 1.63 1.61 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.91 3.86 0.00 1.52 0.74 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 1.30 7.81 58 Y 7.36 5.58 0.00 2.72 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 59 R 8.73 4.67 0.00 1.89 1.99 0.00 2.75 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 60 I 8.30 4.39 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.49 0.89 0.00 0.00 61 P 0.00 4.32 0.00 2.19 2.18 0.00 3.90 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 *65 S 7.67 4.25 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.55 0.00 2.15 2.16 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 67 L 7.59 4.43 0.00 1.69 1.68 0.90 0.79 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 68 V 7.42 3.93 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 0.73 0.00 0.00 1.00 0.00 0.00 69 T 7.13 3.97 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 1.10 0.00 0.00 70 T 8.53 4.73 4.32 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 1.34 0.00 0.00 71 P 0.00 4.80 0.00 1.82 1.79 0.00 3.02 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.46 0.00 72 F 6.81 4.31 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 73 G 8.72 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 *75 D 7.57 4.65 0.00 2.84 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 76 K 7.81 4.49 0.00 1.67 1.73 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.45 7.81 77 A 7.64 4.72 1.19 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 0.00 0.00 78 K 8.37 4.50 0.00 1.86 1.81 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.41 7.81 79 P 0.00 4.52 0.00 2.19 2.09 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 V 8.46 3.89 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 0.84 0.00 0.00 1.08 0.00 0.00 81 D 8.79 5.03 0.00 2.76 2.50 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 82 L 8.78 4.99 0.00 1.61 1.52 0.71 0.45 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 83 T 8.21 4.13 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 1.20 0.00 0.00 84 R 9.24 4.43 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 85 A 7.71 4.29 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 86 N 8.85 5.16 0.00 2.76 2.82 0.00 0.00 7.19 5.95 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 87 L 9.03 4.93 0.00 1.53 1.59 0.87 0.67 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 88 S 8.26 4.23 0.00 3.94 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 89 N 9.41 4.65 0.00 2.92 2.91 0.00 0.00 6.77 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 90 A 7.99 4.42 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 91 N 9.24 4.97 0.00 2.82 2.86 0.00 0.00 7.30 6.50 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 92 L 8.64 5.19 0.00 1.79 1.68 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.31 4.48 0.00 3.14 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 94 Q 8.22 4.03 0.00 1.78 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.68 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 95 S 7.81 4.70 0.00 3.99 3.81 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 96 D 9.00 4.95 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.99 5.21 0.00 1.69 1.63 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.82 4.42 0.00 3.96 4.01 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 99 S 9.30 4.38 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.62 3.92 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.95 0.00 0.00 101 I 8.56 4.62 1.85 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 1.22 0.45 0.90 0.00 0.00 102 L 8.69 4.95 0.00 1.64 1.60 0.92 0.56 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 0.00 103 E 8.36 4.29 0.00 1.99 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 2.37 2.49 0.00 104 N 9.25 4.50 0.00 2.91 2.84 0.00 0.00 6.56 7.96 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 0.00 105 A 7.64 4.72 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 0.00 106 I 8.75 4.52 1.86 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 1.22 0.69 0.94 0.00 0.00 107 L 8.64 5.02 0.00 1.57 1.56 0.91 0.72 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 0.00 108 V 7.84 3.97 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 1.04 0.00 0.00 0.92 0.00 0.00 109 E 8.90 4.32 0.00 2.31 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 2.21 2.20 0.00 110 T 7.38 4.24 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 1.29 0.00 0.00 111 N 9.14 4.72 0.00 2.85 2.88 0.00 0.00 7.02 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.91 5.08 0.00 1.70 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.43 4.39 0.00 4.26 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 0.00 114 E 9.40 4.06 0.00 1.91 1.90 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 2.26 2.31 0.00 115 T 7.30 4.67 4.32 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 1.29 0.00 0.00 116 D 8.70 4.93 0.00 2.77 2.62 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 0.00 117 L 8.58 4.97 0.00 1.76 1.62 0.93 0.95 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 0.00 118 E 8.52 4.30 0.00 2.07 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 2.29 2.53 0.00 119 N 9.58 4.69 0.00 2.90 2.85 0.00 0.00 6.78 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 0.00 120 A 7.74 4.59 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 0.00 121 I 8.87 4.56 1.87 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 1.23 0.69 0.92 0.00 0.00 122 L 9.05 4.98 0.00 1.67 1.61 0.93 0.97 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 0.00 123 I 8.02 4.01 1.88 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 1.37 0.57 0.92 0.00 0.00 124 G 9.34 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 0.00 125 A 7.86 4.25 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 0.00 126 N 9.16 4.82 0.00 2.83 2.72 0.00 0.00 7.16 7.05 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 0.00 127 L 8.41 5.03 0.00 1.76 1.58 0.90 0.76 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 0.00 128 Q 8.01 4.14 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 129 G 9.30 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 0.00 130 A 8.04 4.28 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 0.00 131 N 9.03 4.85 0.00 2.83 2.71 0.00 0.00 7.07 7.20 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 0.00 132 L 8.48 4.87 0.00 1.71 1.58 0.85 0.48 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 0.00 133 E 8.23 4.25 0.00 2.08 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 0.00 2.34 2.50 0.00 134 N 9.61 4.51 0.00 2.95 2.87 0.00 0.00 6.78 7.11 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 0.00 135 A 7.88 4.50 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 0.00 136 N 8.93 4.97 0.00 2.86 2.70 0.00 0.00 7.22 6.19 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 0.00 137 L 8.27 5.00 0.00 1.89 1.63 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.37 4.35 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 139 G 8.91 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 0.00 0.00 0.00 140 A 7.88 4.57 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 0.00 141 N 9.23 5.09 0.00 2.77 2.72 0.00 0.00 7.13 6.21 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 0.00 142 L 8.53 5.11 0.00 1.83 1.62 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.43 4.21 0.00 2.11 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 0.00 2.30 2.42 0.00 144 N 9.19 4.55 0.00 2.92 2.90 0.00 0.00 6.93 6.96 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 0.00 145 A 7.92 4.35 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 0.00 146 N 9.08 4.85 0.00 2.84 2.82 0.00 0.00 7.16 7.27 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 0.00 147 L 8.58 4.80 0.00 1.79 1.46 0.92 1.04 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 0.00 148 R 8.34 4.12 0.00 1.91 2.00 0.00 3.21 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 149 G 9.26 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 0.00 150 A 7.63 4.37 1.19 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 0.00 0.00 151 I 8.58 4.54 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.91 0.00 0.00 152 L 8.56 4.88 0.00 1.15 1.54 0.24 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.04 4.11 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 1.24 0.00 0.00 154 G 8.91 4.03 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 0.00 0.00 0.00 155 V 7.46 3.92 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 0.85 0.00 0.00 0.97 0.00 0.00 156 N 8.64 4.64 0.00 2.93 2.84 0.00 0.00 6.96 6.69 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 0.00 157 L 8.18 5.33 0.00 1.62 1.72 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.30 3.95 0.00 2.17 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 2.31 2.30 0.00 159 E 8.81 3.82 0.00 2.25 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 2.29 2.32 0.00 160 T 7.73 4.57 4.30 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 1.35 0.00 0.00 161 H 9.01 4.53 0.00 3.17 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.29 4.75 0.00 1.75 1.68 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 163 K 7.70 3.82 0.00 1.71 1.40 0.00 1.86 0.00 0.00 2.01 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.44 7.81 164 G 9.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.35 4.14 1.95 0.00 0.00 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 1.49 0.74 1.03 0.00 0.00 166 E 8.92 4.93 0.00 2.09 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 0.00 2.24 2.23 0.00 167 T 8.27 5.21 4.42 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 1.48 0.00 0.00 168 D 8.53 4.75 0.00 2.83 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 0.00 169 K 8.84 4.11 0.00 1.91 2.02 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.48 7.81 170 N 8.20 4.52 0.00 3.11 2.88 0.00 0.00 7.18 7.05 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 0.00 171 T 7.79 3.95 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 0.79 0.00 0.00 172 V 8.23 4.33 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 1.01 0.00 0.00 0.93 0.00 0.00 173 W 8.87 4.80 0.00 3.29 3.23 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 0.00 174 D 8.07 4.54 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.