NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3262 8.1576 120.1433 55.9519 33.1973 177.3914 6 R 3.9110 9.0436 125.6082 57.7097 28.5294 176.0897 7 Y 4.0200 9.1875 122.3012 60.7420 40.0614 178.8348 8 R 4.2690 8.0773 118.0242 58.1338 30.4061 178.7481 9 A 4.0147 7.9510 120.8331 55.0191 18.0937 179.1229 10 L 3.9443 7.6725 117.3029 57.5756 41.6914 178.4143 11 L 3.8336 7.5488 119.6966 57.0881 41.8025 178.4592 12 E 3.8429 7.5971 118.1298 59.4947 29.4967 178.3544 13 K 4.0760 7.5385 117.3244 58.5248 32.4010 177.3285 14 V 4.0367 7.0168 118.6841 61.3778 32.2386 174.6664 15 D 4.6757 9.1333 128.0054 52.8043 41.2101 174.2802 16 P 4.4639 0.0000 0.0000 65.1473 31.8610 176.6865 17 N 4.9299 7.9493 116.6971 51.3730 37.3974 174.8308 18 K 4.3676 7.6187 117.2197 55.9849 35.5418 175.1938 19 I 4.3447 7.8401 126.5930 59.5355 37.4765 174.9926 20 Y 4.3515 8.6862 125.1155 57.9624 39.4422 176.0443 21 T 4.5393 8.5056 111.5688 61.2003 70.7154 175.7396 22 I 3.7349 8.6667 123.2065 64.8066 36.9530 178.6628 23 D 4.4522 8.0649 119.1762 57.2875 40.7786 178.4876 24 E 4.1222 8.2724 118.7569 59.3666 29.4831 179.2740 25 A 3.8583 8.2730 120.6828 54.8668 17.5871 179.4675 26 A 4.0951 7.9597 118.9425 55.4018 18.2083 179.3605 27 H 4.3921 7.8987 113.0919 58.3423 29.0139 177.6472 28 L 3.8878 7.9395 122.2819 57.9888 41.6221 179.1750 29 V 3.5321 8.0266 117.9240 65.8689 31.5873 177.9169 30 K 4.1022 7.5202 115.1095 59.3650 31.6631 179.1777 31 E 4.0292 7.8244 117.8899 58.5927 29.4694 178.2988 32 L 4.4578 7.2702 116.6490 54.2165 42.8816 177.8774 33 A 4.4457 7.2632 122.6468 51.7784 16.2215 176.8364 34 T 4.0784 7.9651 115.5961 63.8436 68.5318 175.5338 35 A 4.3368 7.6701 123.8737 51.9777 19.0274 177.0732 36 K 4.2857 8.5793 119.7499 56.4395 32.3767 176.6581 37 F 4.8797 7.8031 112.7073 55.0067 41.0968 173.2328 38 D 4.2316 8.6684 120.2565 54.1737 40.2967 174.8244 39 E 4.1051 8.0538 126.7912 55.4377 31.7313 175.7505 40 T 4.5333 7.9558 120.4851 63.0603 69.9366 173.9660 41 V 4.4764 8.5254 128.2083 62.1253 32.8454 174.6816 42 E 4.9718 9.2955 125.3350 54.6654 33.5506 174.1193 43 V 4.7491 8.1493 120.7779 61.6931 33.9637 174.1464 44 H 5.2971 9.5266 125.1021 54.1608 31.1346 172.7533 45 A 5.2360 8.6671 124.7829 49.8490 22.6594 174.2233 46 K 4.6949 8.6939 123.0240 54.9177 33.9240 175.6824 47 L 4.3489 8.3835 127.6461 52.6310 43.4823 176.7713 48 G 4.2480 7.6845 108.3041 45.5716 0.0000 172.8097 49 I 4.5159 7.4453 111.4041 58.8311 41.0082 174.8566 50 D 4.7599 8.3777 120.3917 51.5613 41.0003 174.5946 51 P 4.3307 0.0000 0.0000 65.8188 31.3865 178.1857 52 R 3.9144 8.2313 117.1049 58.9281 30.0827 176.7756 53 R 4.1430 7.6914 119.1514 55.8211 29.6922 176.2290 54 S 4.5560 8.9241 122.5464 60.3122 63.7054 174.6333 55 D 4.7629 7.7967 120.7836 52.0291 38.8313 176.3291 56 Q 4.6095 7.5662 115.2562 57.2903 34.0830 173.6585 57 N 4.5185 7.8352 114.6529 54.0846 40.0184 174.0181 58 V 4.5688 8.2490 121.2823 61.7284 33.1702 174.8732 59 R 4.6522 8.1590 127.9144 54.6500 32.9432 174.3087 60 G 3.8409 7.2990 115.9128 45.5968 0.0000 171.0370 61 T 4.8214 8.0799 114.3339 59.9015 69.9013 173.5221 62 V 4.6514 8.7016 126.4400 60.1546 35.4247 174.5553 63 S 5.0538 8.6589 118.9328 57.0500 63.6256 174.0798 64 L 4.3060 8.5699 126.2995 53.7531 41.4889 176.0671 65 P 4.2838 0.0000 0.0000 65.2841 31.2176 176.1455 66 H 4.8461 8.5186 115.2575 54.9821 31.0694 171.5188 67 G 4.1833 9.0324 118.7209 44.7667 0.0000 175.1863 *159 G 4.4804 8.1808 107.7489 45.4424 0.0000 172.3881 160 R 4.7921 8.7815 124.1413 56.5588 31.1146 177.0802 161 I 4.7942 8.9603 119.6549 59.1169 40.7634 173.7567 162 E 4.9366 8.9757 125.2158 54.9365 31.1652 175.2639 163 F 5.2503 8.0476 117.5680 55.8416 41.8416 173.1885 164 R 5.0715 8.4460 114.5178 55.7269 31.6109 173.4039 165 N 4.9472 8.4993 118.3929 52.4439 38.5218 175.7232 166 D 4.7674 8.2835 120.9389 53.8644 43.1203 177.1844 167 K 4.3310 8.6699 120.1472 58.5606 32.1769 177.5375 168 T 4.1901 7.4107 109.5092 63.4931 69.9482 175.9241 169 G 4.1143 8.2871 109.4187 44.5800 0.0000 171.8635 170 A 5.1887 7.5473 119.7706 49.8298 21.4316 176.7300 171 I 4.5080 8.5367 122.4675 59.7654 40.1487 174.4656 172 H 5.2744 8.7504 122.4194 53.9032 31.6651 173.0005 173 A 4.5064 8.0248 124.1279 49.7055 22.8461 173.4501 174 P 4.5589 0.0000 0.0000 62.8151 31.4517 176.5964 175 V 3.8941 8.3118 117.9528 63.0235 33.4867 175.9122 176 G 3.2598 6.8558 104.7374 45.6105 0.0000 172.0220 177 K 5.1739 7.2175 118.3849 54.1242 35.9024 177.4010 178 A 4.0366 8.6879 123.8618 54.7551 18.3432 179.2135 179 S 4.3546 7.4611 109.6898 60.1355 63.6815 175.1478 180 F 3.9687 7.8938 120.3710 56.6599 39.2933 173.4763 181 P 4.4084 0.0000 0.0000 61.9143 31.3737 175.3975 182 P 4.3204 0.0000 0.0000 64.6725 30.9265 177.8647 183 E 4.0172 7.8087 118.6672 59.1307 30.0909 178.3912 184 K 3.8662 7.8751 117.7187 58.9428 32.0879 179.2228 185 L 3.8936 8.0562 120.8421 58.1479 42.0436 178.8788 186 A 4.0631 7.5788 120.3785 55.0035 18.2634 179.3405 187 D 4.3405 8.2307 117.6950 57.7935 40.9338 178.7846 188 N 4.4743 8.0572 117.0215 56.0950 38.4410 177.7206 189 I 3.7562 7.7594 121.3716 64.4685 37.2511 178.6971 190 R 3.9417 8.2816 118.8263 59.2289 29.9116 179.0059 191 A 4.0672 8.1876 120.6170 55.1223 18.4638 179.5025 192 F 4.2601 8.3362 119.2896 61.3884 39.3513 177.5835 193 I 3.4926 7.6615 119.3084 64.1901 36.4400 178.5350 194 R 3.8773 8.1130 118.7621 59.3005 29.6890 179.0319 195 A 4.2098 7.6459 118.9650 54.8592 18.7466 179.4845 196 L 4.1000 7.4542 117.5029 57.9598 41.6052 179.1439 197 E 4.0394 8.2526 116.1388 58.0856 29.4950 178.4237 198 A 4.2019 7.6119 118.9562 53.6995 18.5728 177.5266 199 H 4.7503 7.7040 113.5283 55.2086 29.3042 174.2756 200 K 3.3525 7.5266 121.0787 54.6898 32.5174 174.9834 201 P 4.4325 0.0000 0.0000 62.5705 31.8875 176.5741 202 E 3.9617 8.7830 120.7234 58.7434 29.7307 177.3743 203 G 3.9206 7.5504 101.0286 45.3024 0.0000 171.6810 204 A 4.6981 8.7452 127.2877 52.7939 23.2993 176.2829 205 K 4.4038 9.0658 110.5088 58.1170 35.4387 175.3953 206 G 3.8746 8.2692 109.3864 45.1835 0.0000 173.7216 207 T 3.9338 8.3136 117.9533 63.3238 69.5114 173.4036 208 F 4.4773 8.4446 131.6239 60.1691 39.4733 174.7844 209 L 3.9322 8.3730 129.5491 56.4970 41.8491 177.2959 210 R 3.9223 9.0755 127.8112 57.2643 30.0226 178.2770 211 S 4.5419 9.1051 121.8904 57.3879 66.0931 174.8845 212 V 4.8729 7.9798 124.6814 61.1624 34.0047 173.8230 213 Y 5.2870 9.2238 124.0294 56.2865 42.9304 174.3064 214 V 4.8301 9.0124 121.1604 61.6059 34.5585 174.4085 215 T 4.9440 9.0256 121.6009 61.3272 71.6555 172.4164 216 T 5.0683 7.7722 113.6690 59.4911 70.9139 173.3519 217 T 3.9419 8.0403 116.6604 66.1212 68.8527 175.4694 218 M 4.3664 7.9093 128.9378 52.8784 31.1975 175.9286 219 G 4.1194 7.4657 113.6710 44.2230 0.0000 168.7267 220 P 4.3795 0.0000 0.0000 62.1896 32.1880 176.0220 221 S 4.3898 8.2226 115.6876 58.3120 63.9382 173.8184 222 V 4.2921 8.7557 125.0047 61.1259 33.2461 174.8092 223 R 4.4197 8.8719 129.5843 56.1672 31.0623 175.0320 224 I 5.6733 7.8554 118.8231 58.0965 41.0871 174.6136 225 N 4.6177 8.5531 122.6159 52.2700 39.3722 173.9514 226 P 4.4140 0.0000 0.0000 64.5409 31.5509 176.5922 227 H 4.8363 7.6263 113.7724 55.7030 30.5616 174.5641 228 S 4.3172 7.8381 118.2460 58.4725 62.7800 173.9201 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 5 K 8.16 4.33 0.00 1.85 0.94 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.40 7.81 6 R 9.04 3.91 0.00 2.05 2.20 0.00 3.16 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 7 Y 9.19 4.02 0.00 2.93 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 8 R 8.08 4.27 0.00 2.03 2.02 0.00 3.80 0.00 0.00 3.46 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 9 A 7.95 4.01 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 10 L 7.67 3.94 0.00 1.92 1.64 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.55 3.83 0.00 1.88 1.84 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.60 3.84 0.00 2.13 2.01 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 2.36 2.65 0.00 13 K 7.54 4.08 0.00 1.70 1.86 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.42 7.81 14 V 7.02 4.04 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 0.80 0.00 0.00 0.87 0.00 0.00 15 D 9.13 4.68 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.25 2.20 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 17 N 7.95 4.93 0.00 2.87 2.93 0.00 0.00 6.70 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 18 K 7.62 4.37 0.00 1.47 1.33 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.69 1.12 7.81 19 I 7.84 4.34 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.86 0.00 0.00 20 Y 8.69 4.35 0.00 3.12 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 21 T 8.51 4.54 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 22 I 8.67 3.73 1.89 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 1.53 1.03 0.93 0.00 0.00 23 D 8.06 4.45 0.00 2.73 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 24 E 8.27 4.12 0.00 2.36 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 0.00 2.40 2.39 0.00 25 A 8.27 3.86 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 26 A 7.96 4.10 1.42 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 0.00 0.00 0.00 27 H 7.90 4.39 0.00 3.41 3.35 0.00 5.82 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 28 L 7.94 3.89 0.00 1.66 1.42 0.84 -0.11 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 29 V 8.03 3.53 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 0.82 0.00 0.00 0.88 0.00 0.00 30 K 7.52 4.10 0.00 1.98 1.81 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.64 7.81 31 E 7.82 4.03 0.00 2.00 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 2.33 2.52 0.00 32 L 7.27 4.46 0.00 1.64 1.64 0.83 0.96 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 33 A 7.26 4.45 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 34 T 7.97 4.08 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 1.24 0.00 0.00 35 A 7.67 4.34 1.51 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 0.00 0.00 0.00 36 K 8.58 4.29 0.00 1.84 1.90 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 37 F 7.80 4.88 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 38 D 8.67 4.23 0.00 2.66 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 39 E 8.05 4.11 0.00 1.72 1.63 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 1.74 1.81 0.00 40 T 7.96 4.53 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 1.19 0.00 0.00 41 V 8.53 4.48 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 0.96 0.00 0.00 0.81 0.00 0.00 42 E 9.30 4.97 0.00 2.01 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 2.16 2.31 0.00 43 V 8.15 4.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.94 0.00 0.00 44 H 9.53 5.30 0.00 3.17 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.67 5.24 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.69 4.69 0.00 1.88 1.67 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 47 L 8.38 4.35 0.00 1.29 0.88 0.79 0.66 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 48 G 7.68 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 0.00 0.00 0.00 0.00 49 I 7.45 4.52 1.93 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 1.31 1.05 1.03 0.00 0.00 50 D 8.38 4.76 0.00 2.72 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 51 P 0.00 4.33 0.00 2.22 2.20 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 52 R 8.23 3.91 0.00 2.12 2.04 0.00 3.26 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 53 R 7.69 4.14 0.00 1.82 2.03 0.00 3.27 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 54 S 8.92 4.56 0.00 3.94 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 55 D 7.80 4.76 0.00 2.77 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 56 Q 7.57 4.61 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 57 N 7.84 4.52 0.00 2.80 2.89 0.00 0.00 6.40 7.56 0.00 0.00 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 V 8.25 4.57 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 1.01 0.00 0.00 1.14 0.00 0.00 59 R 8.16 4.65 0.00 1.80 1.72 0.00 3.51 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 60 G 7.30 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 61 T 8.08 4.82 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 1.17 0.00 0.00 62 V 8.70 4.65 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.05 0.00 0.00 63 S 8.66 5.05 0.00 3.81 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 64 L 8.57 4.31 0.00 1.58 1.82 0.93 0.89 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 65 P 0.00 4.28 0.00 2.07 2.19 0.00 3.75 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 2.27 2.06 0.00 66 H 8.52 4.85 0.00 3.51 3.60 0.00 5.62 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 67 G 9.03 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 0.00 0.00 0.00 0.00 *159 G 8.18 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 0.00 0.00 0.00 0.00 160 R 8.78 4.79 0.00 1.86 1.88 0.00 3.20 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 161 I 8.96 4.79 1.93 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 1.48 0.88 0.96 0.00 0.00 162 E 8.98 4.94 0.00 1.96 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 2.24 2.32 0.00 163 F 8.05 5.25 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.45 5.07 0.00 1.92 1.87 0.00 3.02 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 165 N 8.50 4.95 0.00 2.71 2.88 0.00 0.00 6.96 7.92 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 0.00 166 D 8.28 4.77 0.00 2.84 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 0.00 167 K 8.67 4.33 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.38 7.81 168 T 7.41 4.19 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 1.23 0.00 0.00 169 G 8.29 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.55 5.19 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 0.00 171 I 8.54 4.51 1.89 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 1.29 1.04 1.12 0.00 0.00 172 H 8.75 5.27 0.00 2.92 2.96 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.02 4.51 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 4.56 0.00 1.84 1.90 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 175 V 8.31 3.89 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 0.46 0.00 0.00 0.84 0.00 0.00 176 G 6.86 3.26 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 0.00 177 K 7.22 5.17 0.00 2.00 2.12 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.51 7.81 178 A 8.69 4.04 1.23 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 0.00 179 S 7.46 4.35 0.00 4.09 4.02 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 0.00 0.00 0.00 180 F 7.89 3.97 0.00 3.15 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 0.00 181 P 0.00 4.41 0.00 2.43 2.14 0.00 3.52 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.86 0.00 182 P 0.00 4.32 0.00 1.88 1.96 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 183 E 7.81 4.02 0.00 2.06 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 2.35 2.45 0.00 184 K 7.88 3.87 0.00 1.91 1.88 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.39 7.81 185 L 8.06 3.89 0.00 1.96 1.64 0.79 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 186 A 7.58 4.06 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 0.00 187 D 8.23 4.34 0.00 3.06 2.85 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 0.00 0.00 0.00 188 N 8.06 4.47 0.00 2.75 2.86 0.00 0.00 7.07 7.41 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 0.00 189 I 7.76 3.76 2.02 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 1.51 1.40 0.94 0.00 0.00 190 R 8.28 3.94 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 191 A 8.19 4.07 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 0.00 192 F 8.34 4.26 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 I 7.66 3.49 1.99 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 1.46 0.59 0.90 0.00 0.00 194 R 8.11 3.88 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 195 A 7.65 4.21 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.45 4.10 0.00 1.73 1.68 0.29 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 197 E 8.25 4.04 0.00 1.91 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 2.44 2.52 0.00 198 A 7.61 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 H 7.70 4.75 0.00 3.29 3.38 0.00 5.65 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 0.00 200 K 7.53 3.35 0.00 0.79 1.31 0.00 1.61 0.00 0.00 1.26 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 0.53 7.81 201 P 0.00 4.43 0.00 2.11 1.99 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 202 E 8.78 3.96 0.00 1.94 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 2.28 2.22 0.00 203 G 7.55 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 0.00 204 A 8.75 4.70 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 0.00 205 K 9.07 4.40 0.00 1.73 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.42 7.81 206 G 8.27 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 0.00 0.00 0.00 207 T 8.31 3.93 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 0.00 208 F 8.44 4.48 0.00 3.10 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.37 3.93 0.00 1.59 1.58 0.97 0.70 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 0.00 210 R 9.08 3.92 0.00 1.77 1.69 0.00 3.11 0.00 0.00 3.24 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 211 S 9.11 4.54 0.00 3.94 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 0.00 212 V 7.98 4.87 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.84 0.00 0.00 213 Y 9.22 5.29 0.00 3.02 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 0.00 214 V 9.01 4.83 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 0.97 0.00 0.00 0.95 0.00 0.00 215 T 9.03 4.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 216 T 7.77 5.07 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 1.12 0.00 0.00 217 T 8.04 3.94 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 1.34 0.00 0.00 218 M 7.91 4.37 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 219 G 7.47 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 P 0.00 4.38 0.00 2.13 1.97 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 221 S 8.22 4.39 0.00 3.55 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 0.00 222 V 8.76 4.29 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 0.76 0.00 0.00 0.79 0.00 0.00 223 R 8.87 4.42 0.00 1.98 1.80 0.00 3.07 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.00 224 I 7.86 5.67 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.53 0.97 0.00 0.00 225 N 8.55 4.62 0.00 2.79 2.75 0.00 0.00 7.01 7.71 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 0.00 226 P 0.00 4.41 0.00 1.79 1.98 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 227 H 7.63 4.84 0.00 3.14 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 S 7.84 4.32 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.