NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9100 8.3544 109.7419 45.6255 0.0000 173.7289 4 S 4.0070 8.1744 116.9657 57.1703 62.7757 172.4634 5 G 3.8100 7.5262 111.4396 42.6452 0.0000 172.6322 6 Y 3.9019 7.9595 118.3318 56.9406 39.9846 169.2254 7 V 3.6249 7.9116 126.1596 60.9071 31.9837 173.3794 8 P 4.0535 0.0000 0.0000 63.8728 31.4943 177.0270 9 G 4.0270 9.1507 112.1582 45.4847 0.0000 174.4344 10 S 4.2803 8.1405 114.6736 59.7664 63.7369 173.9118 11 V 4.9621 7.9609 120.7759 61.4675 34.5085 174.5176 12 S 5.1479 8.9806 119.5880 56.9730 68.0758 172.9892 13 A 4.7505 8.7016 124.3084 50.8467 20.1611 176.0593 14 A 5.0701 9.1544 125.1869 50.8575 21.7900 175.5390 15 F 5.2212 9.5787 120.6564 55.6576 42.0509 174.9445 16 V 5.4478 8.7032 122.5143 60.3266 34.5592 174.0949 17 T 4.8098 8.6229 122.6889 61.7414 68.2041 173.4329 18 C 4.9085 9.4292 125.2753 57.4205 32.1128 173.2758 19 P 4.3180 0.0000 0.0000 65.5130 31.3795 175.9931 20 N 4.8219 7.6024 112.4179 50.2097 39.8410 174.7266 21 E 4.0262 8.8033 119.2310 58.3639 29.5719 178.4390 22 K 4.0817 7.9920 118.7675 58.8005 32.8997 178.0443 23 V 3.5129 8.4495 118.6259 66.0136 31.3402 177.3272 24 A 3.9903 7.8408 120.3742 55.4544 18.0824 179.2807 25 K 3.8046 7.8152 117.5318 59.8074 32.1992 178.7750 26 E 3.9585 8.0301 118.3064 59.5517 29.4068 179.1940 27 I 3.8496 8.1119 119.9194 64.4431 37.2043 178.1889 28 A 3.9910 8.3522 121.6258 55.3450 18.2889 179.5201 29 R 3.8598 8.2444 116.4089 59.7694 30.2462 179.1809 30 A 3.9888 8.1123 120.0574 55.2008 18.4693 180.1066 31 V 3.3727 8.0013 111.1320 64.2347 31.5978 179.2840 32 V 3.8733 8.0614 114.0534 63.5386 31.2696 178.1397 33 E 4.3450 7.9047 115.7119 58.3099 29.8702 178.2885 34 K 4.0382 7.7903 117.5673 56.4548 31.9857 177.2648 35 R 3.8704 8.0288 117.3402 56.9852 28.0223 177.3627 36 L 4.0278 7.5409 117.8949 56.6686 41.7428 176.6865 37 A 4.5610 7.5834 119.2401 51.3895 22.0144 176.2264 38 A 4.0609 8.3764 121.4489 53.8993 20.0663 177.8817 39 C 4.8716 7.7329 113.9497 58.2285 35.4095 173.1535 40 V 4.8300 8.3886 124.5881 61.2838 34.0760 173.9231 41 N 4.9738 9.4676 125.7016 51.7570 40.7468 173.7421 42 L 4.9970 8.5154 123.2095 53.2379 43.8718 175.8422 43 I 4.4410 9.2823 126.3631 59.2034 38.7846 173.8990 44 P 4.6721 0.0000 0.0000 61.9618 33.4807 175.3162 45 Q 3.7005 8.5828 115.1432 56.8611 25.6725 173.6797 46 I 4.4202 7.5615 111.0593 60.2072 40.0872 174.2773 47 T 5.0264 8.3670 120.1215 62.3245 70.0864 174.1610 48 S 4.9860 9.4784 122.9941 57.0701 65.9113 173.4331 49 I 5.5785 8.4324 122.6896 59.1879 40.4541 173.9721 50 Y 4.7530 7.8808 123.1540 56.3178 41.2676 172.4718 51 E 4.9402 8.9561 121.4351 54.6191 30.8308 174.9016 52 W 4.7739 8.6670 135.0000 56.1617 32.7021 175.4662 53 K 3.5798 9.3496 124.4274 57.3632 30.4503 173.2707 54 G 4.1433 8.1944 110.5076 45.5412 0.0000 171.8650 55 K 4.5884 7.4594 117.3286 54.3544 34.4396 175.0719 56 I 4.4010 8.0806 122.2370 61.2633 37.9403 175.2300 57 E 4.5008 9.2761 127.2129 54.6148 32.2650 175.1640 58 E 4.8713 8.4975 123.0200 54.9538 31.6621 173.7197 59 D 5.1403 9.2133 126.8353 52.3775 44.6479 175.4868 60 S 5.0608 8.5675 117.6537 57.9117 64.1882 173.3124 61 E 5.0986 9.2988 123.2130 54.4272 34.9422 173.8319 62 V 4.7561 9.5667 121.0035 61.2299 34.1605 173.8565 63 L 4.9865 8.6555 129.9581 53.9268 44.0639 174.6550 64 M 4.8647 9.5320 127.1654 54.1769 34.0451 174.6804 65 M 4.3651 8.9966 125.1546 53.9922 34.1097 174.4326 66 I 4.7876 8.5208 128.2281 59.5405 39.9501 174.8295 67 K 4.8970 8.7177 126.8632 55.2581 33.9871 175.6572 68 T 4.7845 8.3211 118.3900 61.0084 71.8152 172.4147 69 Q 4.3025 8.4495 122.2003 55.4938 29.6432 177.6704 70 S 4.1436 9.1799 119.4254 61.9715 62.7020 177.3771 71 S 4.2537 8.0693 114.6956 60.3851 63.0163 175.2028 72 L 4.4208 7.8679 121.9100 54.8469 41.7649 178.3232 73 V 3.5666 7.6916 119.8846 65.5079 31.5274 175.7954 74 P 4.2308 0.0000 0.0000 65.7162 31.0900 178.4149 75 A 3.9966 7.9115 118.8448 54.8287 18.3774 178.7959 76 L 3.9101 8.0380 119.1587 59.1011 42.0882 179.4178 77 T 3.8720 8.2847 115.5336 66.7366 68.4171 176.2699 78 E 4.0097 8.2194 121.0117 59.0078 29.1769 178.6703 79 F 4.1118 8.6435 121.0768 61.4741 39.4313 176.9980 80 V 3.4880 8.2650 118.2445 66.2542 30.8916 177.8900 81 R 3.8442 8.2546 117.5251 59.6769 30.0402 178.3083 82 S 4.2220 7.6658 113.4152 60.7894 62.8713 175.5137 83 V 4.2339 6.7698 109.5131 60.8950 33.0320 176.0345 84 H 4.2146 8.2033 120.3648 58.3870 29.9848 173.6849 85 P 3.8695 0.0000 0.0000 61.2412 31.8543 176.5069 *88 V 3.8515 8.0212 121.8973 61.6006 31.7237 174.4108 89 A 3.9489 7.6234 127.6507 52.2231 19.5594 177.9035 90 E 4.1175 8.4965 123.0001 56.6049 29.1669 174.2703 91 V 5.0136 8.0794 124.6521 60.5862 33.9025 174.2973 92 I 4.9164 8.7176 120.0702 59.2870 41.4969 173.9959 93 A 5.1115 8.6014 124.5021 50.4713 21.9117 175.2359 94 L 4.9723 9.1708 123.1191 52.1643 45.2424 174.1367 95 P 4.8067 0.0000 0.0000 62.3350 32.7630 175.7358 96 V 3.9743 8.9642 124.6653 62.6725 31.7439 176.3802 97 E 4.3069 9.0867 127.9608 58.1875 30.1852 176.1483 98 Q 4.8786 7.7030 115.0470 54.0392 33.4789 174.7784 99 G 3.8402 7.7864 104.2402 45.6103 0.0000 172.8380 100 N 4.5050 8.1178 121.2585 52.4740 39.3266 174.3368 101 P 4.2681 0.0000 0.0000 65.5098 31.4830 176.7423 102 P 4.2994 0.0000 0.0000 65.8529 31.1082 177.5204 103 Y 4.0204 8.0848 118.8337 60.6602 38.8038 178.1217 104 L 3.7510 8.1162 119.7758 57.9118 41.6608 178.8710 105 H 4.1102 8.4078 118.2964 59.0425 29.6803 176.9074 106 W 4.0595 8.4957 130.3645 60.5036 30.2912 177.7263 107 V 2.8566 7.6355 117.0475 66.3205 31.0102 177.2043 108 H 4.1286 7.9791 117.6395 59.0893 29.8466 177.2273 109 Q 3.8716 8.2077 119.3811 59.2671 28.5048 178.1151 110 V 3.7653 7.3060 109.3227 61.6945 31.3846 176.4269 111 T 4.3489 7.1378 108.1947 60.4579 69.5541 173.9128 112 E 3.8566 7.5194 123.0335 57.2106 29.9989 176.4978 113 S 4.5677 8.3278 120.9406 58.8682 63.5849 174.6764 114 V 3.8972 7.6566 124.9284 61.8398 31.4660 175.5730 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 3 G 8.35 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 4 S 8.17 4.01 0.00 3.89 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 5 G 7.53 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 0.00 0.00 0.00 6 Y 7.96 3.90 0.00 2.99 3.36 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 7 V 7.91 3.62 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 0.89 0.00 0.00 0.85 0.00 0.00 8 P 0.00 4.05 0.00 1.99 1.93 0.00 3.59 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 1.94 1.95 0.00 9 G 9.15 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 10 S 8.14 4.28 0.00 4.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.96 4.96 2.21 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 1.10 0.00 0.00 1.01 0.00 0.00 12 S 8.98 5.15 0.00 3.77 3.70 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 13 A 8.70 4.75 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 14 A 9.15 5.07 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 15 F 9.58 5.22 0.00 2.98 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 16 V 8.70 5.45 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 0.79 0.00 0.00 0.95 0.00 0.00 17 T 8.62 4.81 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 1.17 0.00 0.00 18 C 9.43 4.91 0.00 2.84 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 19 P 0.00 4.32 0.00 2.13 2.08 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 20 N 7.60 4.82 0.00 2.89 2.85 0.00 0.00 5.86 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 21 E 8.80 4.03 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 22 K 7.99 4.08 0.00 1.85 2.01 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 V 8.45 3.51 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 0.97 0.00 0.00 0.93 0.00 0.00 24 A 7.84 3.99 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 25 K 7.82 3.80 0.00 2.09 1.85 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 26 E 8.03 3.96 0.00 2.25 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 2.35 2.45 0.00 27 I 8.11 3.85 1.93 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 1.48 0.88 1.04 0.00 0.00 28 A 8.35 3.99 1.41 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 29 R 8.24 3.86 0.00 2.03 2.03 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 30 A 8.11 3.99 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 31 V 8.00 3.37 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 1.08 0.00 0.00 0.99 0.00 0.00 32 V 8.06 3.87 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 0.86 0.00 0.00 1.01 0.00 0.00 33 E 7.90 4.35 0.00 2.10 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 0.00 2.53 2.28 0.00 34 K 7.79 4.04 0.00 1.48 1.69 0.00 0.84 0.00 0.00 1.27 0.00 0.00 2.80 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.28 1.34 7.81 35 R 8.03 3.87 0.00 1.80 1.91 0.00 3.08 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 36 L 7.54 4.03 0.00 1.64 1.64 0.64 0.41 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 37 A 7.58 4.56 1.16 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 38 A 8.38 4.06 0.76 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 0.00 0.00 39 C 7.73 4.87 0.00 3.38 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.39 4.83 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 0.88 0.00 0.00 0.94 0.00 0.00 41 N 9.47 4.97 0.00 2.63 2.71 0.00 0.00 6.51 7.38 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 42 L 8.52 5.00 0.00 1.53 1.61 0.94 0.86 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 43 I 9.28 4.44 2.03 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 1.35 0.81 0.95 0.00 0.00 44 P 0.00 4.67 0.00 2.08 2.08 0.00 3.87 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 1.95 2.00 0.00 45 Q 8.58 3.70 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 46 I 7.56 4.42 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 1.25 1.47 0.98 0.00 0.00 47 T 8.37 5.03 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 1.22 0.00 0.00 48 S 9.48 4.99 0.00 3.87 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 49 I 8.43 5.58 1.92 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 1.07 0.64 0.90 0.00 0.00 50 Y 7.88 4.75 0.00 3.07 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 51 E 8.96 4.94 0.00 2.08 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 2.31 0.00 52 W 8.67 4.77 0.00 3.53 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 53 K 9.35 3.58 0.00 1.84 1.63 0.00 1.25 0.00 0.00 0.68 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.24 7.81 54 G 8.19 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 55 K 7.46 4.59 0.00 1.78 1.70 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.37 7.81 56 I 8.08 4.40 1.83 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 1.32 0.45 0.85 0.00 0.00 57 E 9.28 4.50 0.00 1.16 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 2.10 2.22 0.00 58 E 8.50 4.87 0.00 1.85 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 2.17 2.31 0.00 59 D 9.21 5.14 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 60 S 8.57 5.06 0.00 3.76 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 61 E 9.30 5.10 0.00 1.86 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 2.30 2.11 0.00 62 V 9.57 4.76 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 0.96 0.00 0.00 0.94 0.00 0.00 63 L 8.66 4.99 0.00 1.88 1.58 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 M 9.53 4.86 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 65 M 9.00 4.37 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 2.08 0.00 66 I 8.52 4.79 1.80 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 1.21 0.69 0.88 0.00 0.00 67 K 8.72 4.90 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.47 7.81 68 T 8.32 4.78 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 1.18 0.00 0.00 69 Q 8.45 4.30 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 70 S 9.18 4.14 0.00 3.83 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 71 S 8.07 4.25 0.00 4.01 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 72 L 7.87 4.42 0.00 1.78 1.68 0.87 0.93 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 73 V 7.69 3.57 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 1.12 0.00 0.00 0.94 0.00 0.00 74 P 0.00 4.23 0.00 2.19 2.10 0.00 3.73 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 2.12 2.17 0.00 75 A 7.91 4.00 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 76 L 8.04 3.91 0.00 1.84 1.93 0.94 0.91 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 77 T 8.28 3.87 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 1.22 0.00 0.00 78 E 8.22 4.01 0.00 2.14 2.22 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 2.35 2.42 0.00 79 F 8.64 4.11 0.00 3.14 3.18 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 80 V 8.26 3.49 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 0.89 0.00 0.00 1.08 0.00 0.00 81 R 8.25 3.84 0.00 1.94 2.00 0.00 3.36 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 82 S 7.67 4.22 0.00 3.83 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 83 V 6.77 4.23 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 0.16 0.00 0.00 0.36 0.00 0.00 84 H 8.20 4.21 0.00 3.30 3.26 0.00 5.98 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 3.87 0.00 2.06 1.93 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.22 0.00 *88 V 8.02 3.85 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 0.75 0.00 0.00 0.94 0.00 0.00 89 A 7.62 3.95 0.97 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 90 E 8.50 4.12 0.00 1.98 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 2.47 2.31 0.00 91 V 8.08 5.01 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 0.92 0.00 0.00 0.90 0.00 0.00 92 I 8.72 4.92 1.93 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 1.38 0.98 0.93 0.00 0.00 93 A 8.60 5.11 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 94 L 9.17 4.97 0.00 1.69 1.63 1.06 0.74 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 95 P 0.00 4.81 0.00 2.12 2.09 0.00 3.82 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 2.02 1.99 0.00 96 V 8.96 3.97 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 1.11 0.00 0.00 1.00 0.00 0.00 97 E 9.09 4.31 0.00 2.06 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 2.34 2.31 0.00 98 Q 7.70 4.88 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 99 G 7.79 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 0.00 100 N 8.12 4.50 0.00 2.79 2.79 0.00 0.00 6.90 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 0.00 101 P 0.00 4.27 0.00 2.22 2.16 0.00 3.68 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 102 P 0.00 4.30 0.00 2.30 2.34 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 103 Y 8.08 4.02 0.00 3.12 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 0.00 104 L 8.12 3.75 0.00 1.90 1.46 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 105 H 8.41 4.11 0.00 3.27 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.50 4.06 0.00 3.26 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 0.00 107 V 7.64 2.86 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 0.70 0.00 0.00 0.68 0.00 0.00 108 H 7.98 4.13 0.00 3.32 3.35 0.00 5.84 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 0.00 109 Q 8.21 3.87 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 110 V 7.31 3.77 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 -0.15 0.00 0.00 111 T 7.14 4.35 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 1.01 0.00 0.00 112 E 7.52 3.86 0.00 2.14 1.84 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 2.32 2.43 0.00 113 S 8.33 4.57 0.00 3.86 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 0.00 114 V 7.66 3.90 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 0.65 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.