NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 40 S 4.5125 8.3193 116.7976 58.5889 63.4411 171.8325 41 T 4.7166 7.6052 111.7549 58.6955 72.2363 168.8385 42 V 4.0419 9.8200 126.1663 62.5526 33.6201 175.8734 43 T 4.8345 8.3118 124.2795 62.4286 69.6978 174.2439 44 K 4.5200 8.6351 125.5970 54.3906 36.0108 175.4761 45 V 4.8766 8.1831 122.5874 61.2308 34.2858 174.3270 46 I 4.7317 8.6681 121.1181 59.5036 40.5966 174.2022 47 H 5.4374 8.7078 119.2853 54.6347 32.7798 172.3594 48 H 4.9898 9.3995 119.6648 54.9599 33.4952 172.0008 49 E 5.4577 8.4232 122.9967 53.5971 33.5150 175.4351 50 L 4.4637 8.1262 123.9716 53.8762 45.1434 174.5607 51 E 4.7665 8.8864 127.1081 56.2228 30.6765 176.8770 52 V 4.5166 8.7917 122.9511 59.0195 34.8501 176.5650 53 A 4.6879 8.4398 128.7137 51.4940 17.2827 176.3429 54 A 4.7702 7.3984 123.4387 49.6030 23.1966 176.4064 55 S 4.2981 8.5153 114.6759 58.1401 64.9692 175.1043 56 A 4.0624 8.7823 126.2349 55.9467 18.0213 179.8901 57 D 4.4752 8.1377 116.5331 57.5513 40.4644 178.6771 58 D 4.3444 8.1541 119.1516 57.6233 40.7778 178.9032 59 I 3.6652 7.8252 120.1441 64.1400 37.0495 178.3533 60 W 4.5269 8.6550 129.8316 60.4727 30.4114 178.1383 61 T 3.7637 8.0831 110.0599 64.8459 67.7866 176.6340 62 V 3.6268 7.1310 119.7805 65.9750 31.6141 177.3705 63 Y 4.0366 7.8310 116.8084 60.4001 37.4802 177.8286 64 S 4.5674 7.2283 112.7206 57.2664 63.8263 174.0142 65 W 4.3564 7.4455 134.5442 56.8329 30.6385 174.7636 66 P 4.4599 0.0000 0.0000 64.7237 31.1099 178.2407 67 G 2.8904 6.4113 107.0351 46.3782 0.0000 175.2408 68 L 3.4738 6.7602 122.6054 57.7812 42.5033 178.6812 69 A 3.8531 7.9478 121.4343 55.1156 18.1555 178.9748 70 K 4.0976 7.1867 110.8847 58.3329 33.0535 177.1101 71 H 4.7934 7.9128 116.6984 55.7005 29.6722 176.2193 72 L 4.0848 7.6732 122.0036 57.5889 41.4997 177.6502 73 P 4.4695 0.0000 0.0000 65.4077 31.0319 178.4325 74 D 4.5055 7.9388 117.0465 57.3065 40.9217 178.1711 75 L 4.2437 7.9152 118.6319 56.1095 43.3097 177.6029 76 L 4.7242 7.8684 118.1118 52.1254 41.4666 174.1098 77 P 4.5774 0.0000 0.0000 63.2701 32.1661 177.7189 78 G 3.8770 8.8878 109.8301 45.7621 0.0000 174.2679 79 A 3.9972 7.8456 123.0283 53.8499 18.6148 178.1693 80 F 4.7778 7.4409 113.4187 55.6505 41.0994 175.4604 81 E 4.0788 8.5656 126.3866 58.6798 29.7209 177.0136 82 K 4.4613 7.4150 117.9069 54.8951 35.3539 174.7578 83 L 4.3919 8.2840 128.6358 53.2311 44.5278 174.6741 84 E 4.4177 8.6690 128.4532 54.7230 31.4339 174.4636 85 I 4.6168 8.2312 127.6144 59.7059 39.3981 175.0649 86 I 4.1265 8.4974 129.4754 62.9787 38.6261 174.6926 87 G 4.0040 8.7323 112.6416 44.1017 0.0000 172.2230 88 D 4.4818 8.5096 116.6063 53.2659 39.3892 177.5037 89 G 4.3984 8.1138 109.4462 46.6846 0.0000 174.1261 90 G 3.9015 7.8343 109.0038 43.8783 0.0000 173.5433 91 V 3.2065 7.2660 112.2284 62.5058 31.8789 175.7368 92 G 4.0742 9.3298 112.0612 45.6947 0.0000 174.5588 93 T 4.1426 7.7946 116.7188 64.2922 69.5355 173.4124 94 I 5.0320 8.6661 126.7880 59.6800 40.1422 174.5585 95 L 4.9578 8.9663 126.2102 53.1260 44.6802 176.1512 96 D 4.8396 8.6442 124.5804 53.0967 44.2283 174.4559 *98 T 4.3037 8.1220 113.0400 61.9240 68.5021 172.9090 99 F 5.2169 8.8618 127.2478 55.2249 41.8448 175.9635 100 V 3.8488 8.3606 119.4245 60.6960 32.0013 173.9452 101 P 4.1645 0.0000 0.0000 64.8158 31.8324 174.8914 102 G 4.3807 9.2350 113.7630 46.2817 0.0000 174.3860 103 E 4.1356 7.3826 118.5131 56.0296 30.4403 178.1705 104 F 4.7208 8.9307 125.7595 59.5793 40.6652 173.5525 105 P 2.9700 0.0000 0.0000 61.0667 29.3077 174.7638 106 H 4.3443 8.3421 124.3786 58.9095 30.3806 174.6279 107 E 4.9475 7.6726 118.6329 55.1569 32.7862 173.4655 108 Y 5.2045 7.7809 123.1341 55.8754 40.9326 174.1582 109 K 4.8131 8.9857 120.9144 55.7225 34.2487 175.9817 110 E 5.0792 9.0470 120.5756 54.7453 34.5896 174.3008 111 K 4.9713 9.0972 124.2250 54.4693 35.4290 175.0055 112 F 4.8641 9.5054 130.6219 58.7914 38.6785 174.8304 113 I 3.9677 8.8599 127.1315 62.6567 39.1328 175.6026 114 L 4.9123 7.9506 122.2499 53.5820 45.6303 174.8657 115 V 5.2712 8.4205 123.9510 60.2153 34.7342 174.5833 116 D 4.6878 9.6423 123.1644 52.6316 42.5467 175.5970 117 N 4.6319 8.9534 124.7821 56.0599 39.2560 177.7224 118 E 3.8460 8.2553 118.1232 59.3453 29.7745 177.1497 119 H 4.3801 8.1899 112.8716 55.5420 29.9604 175.0709 120 R 2.0000 6.7596 117.5174 56.2005 27.4697 175.0339 121 L 5.3749 7.6176 119.7502 53.1843 46.6271 175.9699 122 K 5.3519 9.2632 125.8284 55.0030 36.1179 174.6562 123 K 5.2593 9.2761 126.7023 54.7428 34.9563 175.4225 124 V 4.8845 8.6705 118.3705 59.3458 34.0756 175.1501 125 Q 5.0894 9.1214 128.6122 55.2031 31.0200 177.5502 *127 I 4.1661 8.4972 108.5096 60.2691 39.7748 175.4644 128 E 4.5130 7.9968 120.5365 56.0695 32.8139 175.9441 129 G 3.5828 8.7304 114.1696 46.1071 0.0000 174.1365 130 G 3.2512 7.6487 109.5835 46.7101 0.0000 177.2353 131 Y 4.3054 7.5566 121.2903 60.2011 37.7774 177.4485 132 L 4.6880 7.4222 117.7457 56.3246 41.4440 177.2701 133 D 4.7833 8.0356 118.4054 53.9435 40.9015 176.5287 134 L 4.2091 7.6700 121.6557 54.2937 42.3547 177.7288 135 G 3.4059 7.6951 105.3245 45.2183 0.0000 172.8841 136 V 4.7052 7.1437 120.6532 61.8994 32.3781 175.9552 137 T 4.7078 8.8910 116.8716 61.9877 70.1364 173.8250 138 Y 4.8928 7.8367 122.7199 57.0838 42.1731 172.3147 139 Y 5.0402 7.4665 125.2389 56.3773 42.9935 172.8483 *141 D 4.6309 8.5526 122.8736 54.5488 42.9495 174.3798 142 T 5.1192 8.9079 119.5792 61.7750 71.9135 173.0068 143 I 4.7053 8.9756 127.0708 59.6827 40.4608 174.0825 144 H 5.2023 8.9872 126.3714 54.4865 32.9063 172.1678 145 V 4.6792 8.3873 127.3806 61.5642 32.2836 175.1465 146 V 4.4122 8.2553 129.1213 58.8161 33.4279 173.9744 147 P 4.7086 0.0000 0.0000 63.1551 31.6521 175.0482 148 T 4.2774 8.2809 116.3286 64.2638 70.3099 176.1762 149 G 4.2593 8.3474 111.5294 43.5096 0.0000 172.2228 150 K 4.0359 8.8717 119.4375 59.4834 31.9966 178.6964 151 D 5.2728 7.8715 116.6534 53.4993 41.3297 175.8784 152 S 5.0845 8.3015 110.8439 56.7804 67.0791 172.2548 153 C 5.1762 8.7477 114.3992 57.6143 33.5033 172.4716 154 V 4.6952 8.9480 119.6894 61.3712 34.0277 174.7076 155 I 4.6137 8.5797 128.0013 60.0183 38.7116 175.2743 156 K 4.5876 9.3140 129.3611 55.3284 32.6134 175.5094 157 S 5.4189 8.9452 122.1340 56.8033 65.1108 173.7815 158 S 5.2222 9.1173 118.3576 56.8660 67.1647 172.8830 159 T 4.7419 8.5615 110.3354 59.9464 71.4440 172.1114 160 E 5.2704 8.6394 126.1411 54.5060 32.5259 173.9185 161 Y 5.2187 8.9667 123.6992 55.8037 42.5372 173.3880 162 H 5.5385 9.2149 117.1122 54.2811 31.9157 173.4696 163 V 5.1350 8.8990 116.6444 59.0228 35.5156 175.4908 164 K 4.4371 8.8392 124.1286 56.3939 32.4083 176.4628 165 P 4.2961 0.0000 0.0000 65.9141 31.0350 178.8245 166 E 3.8926 8.2871 116.1179 58.6135 29.7242 178.1588 167 F 4.7154 8.2156 115.5302 57.4571 39.5364 178.0213 168 V 3.8104 7.6252 113.3422 64.5658 31.1579 178.3329 169 K 4.1425 7.9664 116.4159 59.0034 32.2030 179.0114 170 I 3.9540 7.9159 119.4001 63.2227 37.4316 177.4542 171 V 4.3433 7.7627 118.2141 62.0938 32.3170 177.7223 172 E 4.1443 7.9367 118.1010 58.6904 29.7012 176.6338 173 P 4.4569 0.0000 0.0000 63.7422 31.5973 177.4238 174 L 4.5465 7.4837 117.1460 55.5344 42.6721 176.9338 175 I 3.6067 7.0009 120.1031 60.9975 37.1687 175.3089 176 T 4.6817 8.0104 114.6321 59.7527 71.9445 173.7892 177 T 4.3976 8.4258 113.1278 62.2419 67.2607 175.7835 178 G 3.9080 7.8908 107.4292 48.7123 0.0000 174.1239 179 P 4.3806 0.0000 0.0000 64.7617 31.4699 178.6077 180 L 4.2087 7.8781 116.5242 57.7706 42.0281 178.6989 181 A 4.0071 8.2345 120.7078 54.8726 18.2278 179.6144 182 A 4.2551 7.9664 116.9212 52.6141 18.2389 179.3408 *184 A 4.4836 7.8297 123.7475 54.1020 20.7202 179.9295 185 D 4.3808 8.2837 115.4085 57.3032 40.7563 179.1206 186 A 3.9676 7.9639 121.0672 55.2218 18.6047 179.7430 187 I 3.5890 7.6278 117.8304 64.5672 37.2175 178.2529 188 S 4.1582 8.2551 116.0660 62.1024 62.5334 177.2480 189 K 4.0262 7.7218 119.1410 59.3877 31.9146 179.0713 190 L 4.0454 7.8704 119.7148 57.6645 42.0304 178.4829 191 V 3.9732 7.4201 116.5265 63.9723 32.1052 176.2612 192 L 4.6977 7.8603 118.9084 54.5265 42.2001 177.3262 193 E 4.5128 7.8231 119.0610 54.5700 31.2715 176.1960 194 H 4.4457 8.7126 118.5248 55.6770 28.8242 175.4347 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 40 S 8.32 4.51 0.00 3.91 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 41 T 7.61 4.72 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 1.27 0.00 0.00 42 V 9.82 4.04 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 0.96 0.00 0.00 0.93 0.00 0.00 43 T 8.31 4.83 4.13 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 1.15 0.00 0.00 44 K 8.64 4.52 0.00 0.79 1.21 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.26 7.81 45 V 8.18 4.88 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 0.75 0.00 0.00 0.89 0.00 0.00 46 I 8.67 4.73 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 1.44 0.63 0.98 0.00 0.00 47 H 8.71 5.44 0.00 3.01 3.21 0.00 5.68 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 48 H 9.40 4.99 0.00 3.22 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.42 5.46 0.00 1.79 1.76 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 2.20 2.09 0.00 50 L 8.13 4.46 0.00 1.70 1.55 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.89 4.77 0.00 1.88 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 2.32 2.37 0.00 52 V 8.79 4.52 2.13 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 0.78 0.00 0.00 1.02 0.00 0.00 53 A 8.44 4.69 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 54 A 7.40 4.77 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 55 S 8.52 4.30 0.00 4.09 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 0.00 56 A 8.78 4.06 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 57 D 8.14 4.48 0.00 2.84 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 58 D 8.15 4.34 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 59 I 7.83 3.67 2.02 0.00 0.00 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 1.55 0.68 1.22 0.00 0.00 60 W 8.65 4.53 0.00 3.50 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.08 3.76 4.19 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 1.31 0.00 0.00 62 V 7.13 3.63 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 0.83 0.00 0.00 0.87 0.00 0.00 63 Y 7.83 4.04 0.00 3.08 2.70 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 0.00 0.00 0.00 64 S 7.23 4.57 0.00 3.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.45 4.36 0.00 3.46 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.46 0.00 2.17 2.27 0.00 4.16 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 67 G 6.41 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 0.00 0.00 0.00 68 L 6.76 3.47 0.00 1.75 1.69 0.96 1.13 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 69 A 7.95 3.85 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 70 K 7.19 4.10 0.00 1.85 1.75 0.00 1.43 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.00 1.16 7.81 71 H 7.91 4.79 0.00 3.30 3.39 0.00 5.63 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 72 L 7.67 4.08 0.00 1.61 1.99 0.84 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.47 0.00 2.19 2.18 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 74 D 7.94 4.51 0.00 2.93 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 75 L 7.92 4.24 0.00 1.67 1.73 0.92 1.00 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 76 L 7.87 4.72 0.00 1.56 1.38 0.91 0.87 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 77 P 0.00 4.58 0.00 2.02 1.99 0.00 3.79 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 78 G 8.89 3.88 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 0.00 0.00 0.00 79 A 7.85 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.44 4.78 0.00 2.93 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 81 E 8.57 4.08 0.00 1.95 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 2.30 2.25 0.00 82 K 7.42 4.46 0.00 1.66 1.47 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.32 7.81 83 L 8.28 4.39 0.00 1.14 1.19 0.66 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.67 4.42 0.00 1.97 1.66 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 2.14 2.18 0.00 85 I 8.23 4.62 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.88 0.00 0.00 86 I 8.50 4.13 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.88 0.00 0.00 87 G 8.73 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 0.00 0.00 0.00 88 D 8.51 4.48 0.00 2.73 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 89 G 8.11 4.40 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 0.00 90 G 7.83 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 91 V 7.27 3.21 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 0.08 0.00 0.00 0.78 0.00 0.00 92 G 9.33 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 93 T 7.79 4.14 4.48 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 1.25 0.00 0.00 94 I 8.67 5.03 1.86 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 1.25 0.92 0.95 0.00 0.00 95 L 8.97 4.96 0.00 1.47 1.36 0.90 0.69 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 96 D 8.64 4.84 0.00 2.60 2.40 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 *98 T 8.12 4.30 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 1.14 0.00 0.00 99 F 8.86 5.22 0.00 2.86 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 0.00 100 V 8.36 3.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 101 P 0.00 4.16 0.00 2.08 2.07 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 102 G 9.24 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 0.00 0.00 0.00 0.00 103 E 7.38 4.14 0.00 1.97 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 2.61 2.45 0.00 104 F 8.93 4.72 0.00 2.90 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 0.00 105 P 0.00 2.97 0.00 1.90 1.33 0.00 3.54 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.00 106 H 8.34 4.34 0.00 3.24 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.67 4.95 0.00 1.83 1.64 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 2.16 2.15 0.00 108 Y 7.78 5.20 0.00 2.92 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 0.00 109 K 8.99 4.81 0.00 1.63 1.78 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.43 7.81 110 E 9.05 5.08 0.00 2.07 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 2.46 2.57 0.00 111 K 9.10 4.97 0.00 1.80 1.67 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.39 7.81 112 F 9.51 4.86 0.00 3.09 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 0.00 113 I 8.86 3.97 1.98 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 1.18 0.91 1.04 0.00 0.00 114 L 7.95 4.91 0.00 1.80 1.55 0.98 0.94 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 0.00 115 V 8.42 5.27 2.25 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 0.82 0.00 0.00 1.39 0.00 0.00 116 D 9.64 4.69 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 117 N 8.95 4.63 0.00 2.94 3.05 0.00 0.00 6.68 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 0.00 118 E 8.26 3.85 0.00 1.83 1.72 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 2.17 2.26 0.00 119 H 8.19 4.38 0.00 3.19 3.21 0.00 5.86 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 6.76 2.00 0.00 1.65 1.02 0.00 2.96 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 121 L 7.62 5.37 0.00 1.51 1.40 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 K 9.26 5.35 0.00 2.30 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.23 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.67 7.81 123 K 9.28 5.26 0.00 1.84 1.74 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 124 V 8.67 4.88 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 0.48 0.00 0.00 1.00 0.00 0.00 125 Q 9.12 5.09 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 *127 I 8.50 4.17 1.89 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 1.33 0.74 0.99 0.00 0.00 128 E 8.00 4.51 0.00 1.98 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 2.28 2.29 0.00 129 G 8.73 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 0.00 130 G 7.65 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.56 4.31 0.00 2.80 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 0.00 132 L 7.42 4.69 0.00 1.69 1.72 0.92 1.19 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 0.00 133 D 8.04 4.78 0.00 2.88 2.67 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 0.00 134 L 7.67 4.21 0.00 1.74 1.67 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 135 G 7.70 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.14 4.71 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 1.30 0.00 0.00 1.05 0.00 0.00 137 T 8.89 4.71 4.34 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 1.28 0.00 0.00 138 Y 7.84 4.89 0.00 2.98 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 0.00 139 Y 7.47 5.04 0.00 3.05 2.57 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 0.00 0.00 0.00 0.00 *141 D 8.55 4.63 0.00 2.70 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 0.00 142 T 8.91 5.12 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 1.22 0.00 0.00 143 I 8.98 4.71 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.34 0.00 0.00 144 H 8.99 5.20 0.00 3.12 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.39 4.68 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 0.97 0.00 0.00 1.04 0.00 0.00 146 V 8.26 4.41 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 0.68 0.00 0.00 0.87 0.00 0.00 147 P 0.00 4.71 0.00 2.19 2.09 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 148 T 8.28 4.28 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 1.21 0.00 0.00 149 G 8.35 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 0.00 150 K 8.87 4.04 0.00 1.71 1.87 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.55 7.81 151 D 7.87 5.27 0.00 2.56 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 0.00 152 S 8.30 5.08 0.00 3.84 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 0.00 153 C 8.75 5.18 0.00 3.19 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 0.00 154 V 8.95 4.70 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 155 I 8.58 4.61 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.95 0.00 0.00 156 K 9.31 4.59 0.00 1.79 1.81 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.39 7.81 157 S 8.95 5.42 0.00 3.87 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 0.00 158 S 9.12 5.22 0.00 3.71 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 0.00 159 T 8.56 4.74 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 160 E 8.64 5.27 0.00 2.04 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 2.42 2.29 0.00 161 Y 8.97 5.22 0.00 3.17 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 0.00 162 H 9.21 5.54 0.00 3.23 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.90 5.13 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 0.99 0.00 0.00 1.21 0.00 0.00 164 K 8.84 4.44 0.00 2.07 2.26 0.00 1.85 0.00 0.00 1.94 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.73 7.81 165 P 0.00 4.30 0.00 2.17 2.13 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 166 E 8.29 3.89 0.00 1.54 1.74 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 2.26 2.44 0.00 167 F 8.22 4.72 0.00 3.21 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 0.00 168 V 7.63 3.81 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 1.07 0.00 0.00 1.02 0.00 0.00 169 K 7.97 4.14 0.00 1.71 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 170 I 7.92 3.95 2.18 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.46 1.01 0.00 0.00 171 V 7.76 4.34 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 1.01 0.00 0.00 1.04 0.00 0.00 172 E 7.94 4.14 0.00 2.19 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 2.53 2.39 0.00 173 P 0.00 4.46 0.00 2.06 2.15 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 174 L 7.48 4.55 0.00 1.87 2.04 0.85 0.84 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 0.00 175 I 7.00 3.61 1.41 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.56 0.00 0.00 176 T 8.01 4.68 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 0.00 177 T 8.43 4.40 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 178 G 7.89 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 0.00 0.00 0.00 179 P 0.00 4.38 0.00 2.15 2.27 0.00 3.74 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 2.12 2.22 0.00 180 L 7.88 4.21 0.00 1.76 1.76 1.01 0.81 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 0.00 181 A 8.23 4.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 A 7.97 4.26 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 *184 A 7.83 4.48 1.53 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 0.00 0.00 185 D 8.28 4.38 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 0.00 186 A 7.96 3.97 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 0.00 187 I 7.63 3.59 1.71 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.82 0.00 0.00 188 S 8.26 4.16 0.00 4.14 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 0.00 189 K 7.72 4.03 0.00 1.73 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.60 7.81 190 L 7.87 4.05 0.00 1.75 1.89 0.86 0.77 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 0.00 191 V 7.42 3.97 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 0.91 0.00 0.00 0.98 0.00 0.00 192 L 7.86 4.70 0.00 1.69 1.68 0.94 0.66 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 0.00 193 E 7.82 4.51 0.00 1.87 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 2.29 2.19 0.00 194 H 8.71 4.45 0.00 3.25 3.28 0.00 5.56 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.