NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.5543 8.1933 115.4319 57.7713 65.6094 175.1881 5 H 3.9017 8.4328 117.2515 58.1644 28.6796 176.0689 6 M 4.0291 8.8594 121.3375 58.4178 32.0006 177.3718 7 Y 4.3840 8.3800 115.3640 58.9996 38.4936 177.7188 8 L 4.1949 7.8435 120.6395 57.6837 42.1852 178.9396 9 S 4.3010 7.9931 114.7166 61.0103 62.8105 176.4809 10 K 4.2782 7.6987 121.9922 58.6697 32.1180 178.5253 11 Q 4.1049 7.8753 117.9810 58.9612 28.6758 178.1909 12 L 3.9405 8.0496 119.9558 58.2902 41.7683 179.1866 13 C 4.3363 7.8655 116.6839 62.7836 31.4625 175.4880 14 F 4.3604 8.3971 122.0262 61.3260 39.0123 177.1482 15 L 3.4612 8.7802 119.3431 57.6225 41.2559 179.5204 16 F 4.0252 8.8877 118.6889 60.5276 38.8052 176.9588 17 Y 4.0228 8.1295 119.2266 60.7654 38.5704 178.2150 18 V 3.3509 7.9959 119.2812 65.8222 31.5660 177.7926 19 S 3.9157 7.7416 114.1466 61.8018 62.6039 176.6901 20 S 4.1296 7.7299 117.3197 59.9071 62.6106 176.2111 21 K 3.6812 7.6176 124.0225 59.2464 31.8968 178.1918 22 E 4.2453 8.3924 118.2757 58.1153 29.5670 179.1364 23 I 3.8791 7.2468 120.7116 64.5184 37.3116 178.3131 24 I 3.3082 7.4726 120.5841 63.7865 36.5226 178.3917 25 K 3.8104 7.2561 118.5135 59.5332 32.3689 178.7022 26 K 3.8588 7.7627 118.1383 59.4476 31.5612 178.7195 27 Y 3.9690 7.9151 116.9385 61.7639 37.6787 178.8943 28 T 3.9639 8.3105 115.2124 66.9556 68.7917 176.0599 29 N 4.3937 7.7476 117.6319 56.4275 38.6007 176.8740 30 Y 4.3429 7.4411 117.4509 61.2861 38.0647 178.4744 31 L 4.4625 8.4414 118.2238 56.1629 41.5946 179.4361 32 K 4.0242 8.1976 120.1957 59.5259 31.8829 178.5274 33 E 4.0677 7.7455 118.7743 58.7223 29.4777 176.8997 34 Y 4.5754 7.8295 112.5124 56.8161 39.8413 174.5984 35 D 4.5042 8.5883 119.2178 55.7899 38.5602 173.2727 36 L 5.0135 8.2829 117.2638 52.7416 45.9216 177.6477 37 T 4.5838 8.1679 111.4894 60.6198 71.8319 175.0693 38 Y 4.2234 8.7148 123.5734 61.6296 38.7420 178.9558 39 T 3.7108 8.1141 115.9630 66.4469 68.6080 176.5584 40 G 3.6695 8.3465 107.9809 47.9082 0.0000 174.7504 41 Y 4.0447 8.3476 122.4267 60.5928 38.8205 178.1542 42 I 3.2626 7.4405 120.4290 64.3986 37.2008 178.3339 43 V 3.4731 7.5737 118.5526 66.0825 31.2262 177.6633 44 L 3.8336 7.6543 118.3722 58.3718 41.2877 179.2930 45 M 3.6991 7.4440 117.0826 58.4102 32.0943 178.7733 46 A 4.0423 7.6765 120.4707 55.2280 18.8233 179.3665 47 I 3.5866 8.1722 118.8238 64.8252 37.0156 178.1480 48 E 5.2261 8.0262 118.0208 58.3064 29.7612 178.2534 49 N 4.5011 7.9637 116.8041 55.0426 38.7316 175.8654 50 D 4.7237 7.8770 117.7410 54.6673 42.6061 172.6334 51 E 3.6554 9.0162 129.1041 57.1707 29.5392 174.9543 52 K 4.0553 8.8269 123.9125 57.5600 28.3645 176.4062 53 L 4.7361 7.5669 117.1816 52.2777 44.4033 176.8138 54 N 4.3964 8.6044 120.0184 53.1275 37.6346 175.8114 55 I 3.8042 8.3003 119.4385 63.1077 37.4211 177.8859 56 K 3.9908 7.6692 122.0313 59.0004 32.2107 178.3011 57 K 3.9079 7.8705 119.3261 58.7963 32.0848 178.3204 58 L 4.1318 7.9868 120.9977 57.7347 42.3096 178.5912 59 G 3.7487 8.0684 105.7006 47.9308 0.0000 175.2962 60 E 3.7824 8.2441 120.4325 59.1402 29.5032 179.1251 61 R 3.9811 7.5043 117.0378 58.3210 30.1268 177.8084 62 V 4.3685 7.6977 109.8926 59.7288 33.2961 175.4435 63 F 3.6732 7.9509 116.6959 58.6589 36.6874 175.5227 64 L 4.8830 8.5540 118.4423 52.6189 45.8080 177.2030 65 D 4.5484 8.5257 122.1449 52.7658 39.9645 177.1812 66 S 4.2095 8.9106 115.8457 61.5264 61.8315 177.1839 67 G 3.6005 7.7593 108.1087 48.0094 0.0000 175.5141 68 T 4.1901 8.1505 112.3848 63.8546 69.1197 176.8551 69 L 3.9615 7.8227 122.7912 58.0991 42.1202 178.6066 70 T 3.8372 7.5474 114.7123 66.5108 68.4353 174.6715 71 P 4.2322 0.0000 0.0000 65.5553 31.3104 178.4783 72 L 4.0134 7.7531 118.8924 57.7575 42.0419 179.0442 73 L 3.9794 8.4086 119.5889 57.6358 41.6261 179.3105 74 K 4.1304 8.1667 119.9636 58.7476 31.9917 178.9293 75 K 3.8560 8.1775 119.5805 59.8122 32.1972 178.6874 76 L 4.1044 8.3877 119.1909 57.5731 41.0116 179.5093 77 E 4.9595 7.9490 120.0509 58.5604 29.3431 178.8211 78 K 3.9223 7.8902 118.6787 59.4229 32.3811 178.7006 79 K 3.6748 7.9514 117.6255 57.0377 32.4590 175.9555 80 D 4.4236 8.0568 117.4535 55.9250 39.6281 173.4619 81 Y 4.9533 7.9986 115.7837 58.4151 40.1674 176.8001 82 V 4.6175 7.4239 117.4143 61.7440 34.8425 174.1402 83 V 4.8006 8.3801 120.6239 63.5663 38.0703 174.4746 *99 T 4.2104 7.5882 109.0943 61.3725 70.7869 174.4980 100 E 4.0510 8.6355 120.7132 59.3646 29.7868 179.2391 101 Q 4.3092 8.1873 117.7029 58.8987 28.9586 178.2900 102 G 3.7980 8.4033 107.9612 47.8886 0.0000 175.7196 103 K 4.0828 8.0454 119.6999 58.0070 32.0579 178.9289 104 A 4.2264 7.8319 121.4528 54.5436 18.5671 178.6194 105 I 4.2476 7.5125 109.6753 61.1182 37.9261 177.5382 106 K 3.7716 7.9171 123.6866 59.9140 31.8186 178.6072 107 S 4.0502 7.9423 113.1532 60.9076 62.3679 174.2526 108 P 4.2709 0.0000 0.0000 65.6772 31.3076 178.0816 109 L 3.9934 8.1527 118.8812 57.5566 41.5356 179.0322 110 A 4.0957 8.0055 120.7497 55.3657 18.3151 179.0601 111 E 3.8441 8.4597 117.8257 59.7661 29.5285 179.1979 112 I 3.3924 7.7022 119.6442 64.2748 36.8704 178.4587 113 S 4.3804 8.3308 117.3232 60.4999 62.7591 176.8367 114 V 3.7462 7.7069 121.4878 65.6498 31.2750 178.1985 115 K 3.7869 7.6530 117.6857 59.4131 31.7088 179.0451 116 V 3.3502 6.9596 116.9020 66.1947 31.6813 177.7092 117 F 4.7250 7.6608 116.2296 59.7135 38.8442 177.7156 118 N 4.4872 8.1169 116.4631 55.9610 38.1866 176.4995 119 E 3.9973 8.1686 119.2127 57.7835 29.6210 177.0363 120 F 4.7519 7.4838 114.7543 56.9041 40.4110 175.0652 121 N 4.0994 8.4731 117.4475 54.4815 36.0438 175.0573 122 I 4.3251 7.3950 116.9086 59.4304 38.9220 177.2546 123 S 4.4780 8.3265 121.0819 57.8168 65.1707 174.3923 124 E 4.1851 8.5220 119.8325 57.8431 29.3227 179.1510 125 R 3.9408 7.7241 119.4847 59.1176 30.4373 177.6295 126 E 3.8904 8.4487 119.2093 59.0050 29.6388 178.4196 127 A 3.8557 8.0067 120.8386 55.2924 18.4286 179.5983 128 S 4.0065 7.7045 113.5063 62.0702 62.9608 176.7123 129 D 4.3615 7.9241 121.0536 57.5895 40.4661 179.1723 130 I 3.7001 7.9215 120.2604 64.3367 37.1164 178.4806 131 I 3.6855 8.2890 121.0205 64.4261 36.8580 178.2808 132 N 4.4096 8.3553 117.3859 56.1537 38.4033 177.3309 133 N 4.3667 8.1323 117.9198 56.4518 38.6958 177.5725 134 L 4.1384 8.3196 120.7875 57.7119 41.4533 179.5483 135 R 3.9608 7.9993 118.1009 59.2000 30.2027 177.9659 136 N 4.5915 8.3678 118.2628 56.3574 38.8598 176.3177 137 F 4.2506 8.1607 120.6093 61.7925 39.6191 177.1422 138 V 3.7021 8.0519 115.1836 63.9580 31.5952 176.4489 139 S 4.4620 8.8382 120.0181 59.4741 63.0326 173.5931 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 4 S 8.19 4.55 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 5 H 8.43 3.90 0.00 3.26 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.86 4.03 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 7 Y 8.38 4.38 0.00 2.98 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 8 L 7.84 4.19 0.00 1.73 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.99 4.30 0.00 4.00 3.99 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 0.00 0.00 0.00 10 K 7.70 4.28 0.00 2.21 1.94 0.00 1.51 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 11 Q 7.88 4.10 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.45 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 12 L 8.05 3.94 0.00 1.86 2.06 1.12 0.59 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 13 C 7.87 4.34 0.00 3.31 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.40 4.36 0.00 3.20 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 15 L 8.78 3.46 0.00 1.73 1.37 0.83 0.62 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 16 F 8.89 4.03 0.00 3.20 2.99 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 0.00 0.00 0.00 17 Y 8.13 4.02 0.00 3.23 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 18 V 8.00 3.35 1.58 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 0.96 0.00 0.00 0.95 0.00 0.00 19 S 7.74 3.92 0.00 3.84 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 20 S 7.73 4.13 0.00 3.99 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 0.00 21 K 7.62 3.68 0.00 1.57 1.72 0.00 1.23 0.00 0.00 0.94 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.02 1.32 7.81 22 E 8.39 4.25 0.00 2.08 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 0.00 2.33 2.43 0.00 23 I 7.25 3.88 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 1.40 0.86 1.11 0.00 0.00 24 I 7.47 3.31 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.35 0.66 0.00 0.00 25 K 7.26 3.81 0.00 1.91 1.95 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 26 K 7.76 3.86 0.00 1.67 1.70 0.00 0.90 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.25 1.51 7.81 27 Y 7.92 3.97 0.00 3.29 3.09 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 0.00 0.00 0.00 0.00 28 T 8.31 3.96 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 1.23 0.00 0.00 29 N 7.75 4.39 0.00 2.33 2.57 0.00 0.00 6.90 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.44 4.34 0.00 3.09 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 31 L 8.44 4.46 0.00 1.78 1.93 1.03 0.68 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 32 K 8.20 4.02 0.00 1.90 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.69 7.81 33 E 7.75 4.07 0.00 1.83 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 1.47 1.96 0.00 34 Y 7.83 4.58 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.59 4.50 0.00 2.88 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 36 L 8.28 5.01 0.00 1.88 1.66 0.93 0.80 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 37 T 8.17 4.58 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 38 Y 8.71 4.22 0.00 3.08 3.07 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 39 T 8.11 3.71 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 1.20 0.00 0.00 40 G 8.35 3.67 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 0.00 0.00 0.00 41 Y 8.35 4.04 0.00 2.94 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.44 3.26 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.29 0.75 0.00 0.00 43 V 7.57 3.47 2.19 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 0.99 0.00 0.00 0.94 0.00 0.00 44 L 7.65 3.83 0.00 1.69 1.48 0.68 0.83 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 45 M 7.44 3.70 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 46 A 7.68 4.04 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 47 I 8.17 3.59 1.95 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 1.80 0.72 0.93 0.00 0.00 48 E 8.03 5.23 0.00 2.04 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 2.23 2.30 0.00 49 N 7.96 4.50 0.00 2.83 2.89 0.00 0.00 6.89 8.09 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 50 D 7.88 4.72 0.00 2.60 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 51 E 9.02 3.66 0.00 2.10 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 2.39 2.39 0.00 52 K 8.83 4.06 0.00 1.90 2.04 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.43 7.81 53 L 7.57 4.74 0.00 1.58 1.53 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.60 4.40 0.00 2.85 2.95 0.00 0.00 6.27 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 55 I 8.30 3.80 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 1.29 0.54 0.90 0.00 0.00 56 K 7.67 3.99 0.00 1.79 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 57 K 7.87 3.91 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.47 7.81 58 L 7.99 4.13 0.00 1.84 1.66 0.89 0.74 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 59 G 8.07 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.24 3.78 0.00 1.99 1.79 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 2.20 2.39 0.00 61 R 7.50 3.98 0.00 1.94 1.96 0.00 3.21 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 62 V 7.70 4.37 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 0.82 0.00 0.00 1.05 0.00 0.00 63 F 7.95 3.67 0.00 3.10 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 64 L 8.55 4.88 0.00 1.54 1.54 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.53 4.55 0.00 2.83 2.80 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 66 S 8.91 4.21 0.00 3.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.15 4.19 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 1.32 0.00 0.00 69 L 7.82 3.96 0.00 1.74 1.70 0.93 0.85 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 70 T 7.55 3.84 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 71 P 0.00 4.23 0.00 2.17 2.11 0.00 3.71 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 2.20 2.15 0.00 72 L 7.75 4.01 0.00 1.90 1.67 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.41 3.98 0.00 1.95 1.70 0.92 0.60 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 74 K 8.17 4.13 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 75 K 8.18 3.86 0.00 2.00 1.99 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.52 7.81 76 L 8.39 4.10 0.00 1.97 1.83 1.00 1.01 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 77 E 7.95 4.96 0.00 2.20 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 2.46 2.54 0.00 78 K 7.89 3.92 0.00 1.75 1.94 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 79 K 7.95 3.67 0.00 1.73 1.34 0.00 1.96 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.68 7.81 80 D 8.06 4.42 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.00 4.95 0.00 3.19 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 82 V 7.42 4.62 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 0.98 0.00 0.00 0.99 0.00 0.00 83 V 8.38 4.80 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 1.03 0.00 0.00 0.96 0.00 0.00 *99 T 7.59 4.21 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 100 E 8.64 4.05 0.00 1.99 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 0.00 2.33 2.32 0.00 101 Q 8.19 4.31 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 102 G 8.40 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.05 4.08 0.00 1.76 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 104 A 7.83 4.23 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 0.00 105 I 7.51 4.25 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.52 1.14 0.00 0.00 106 K 7.92 3.77 0.00 1.80 1.83 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.64 7.81 107 S 7.94 4.05 0.00 3.93 3.85 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 0.00 108 P 0.00 4.27 0.00 2.46 2.27 0.00 3.81 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 2.19 2.17 0.00 109 L 8.15 3.99 0.00 1.69 1.87 0.63 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.01 4.10 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.46 3.84 0.00 2.19 1.97 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 2.31 2.50 0.00 112 I 7.70 3.39 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.67 0.00 0.00 113 S 8.33 4.38 0.00 4.22 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 0.00 114 V 7.71 3.75 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 1.09 0.00 0.00 0.97 0.00 0.00 115 K 7.65 3.79 0.00 0.98 1.39 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 0.89 7.81 116 V 6.96 3.35 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 0.09 0.00 0.00 0.20 0.00 0.00 117 F 7.66 4.72 0.00 3.18 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 0.00 118 N 8.12 4.49 0.00 2.99 2.86 0.00 0.00 6.45 7.01 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 0.00 119 E 8.17 4.00 0.00 1.90 1.79 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 1.74 2.10 0.00 120 F 7.48 4.75 0.00 3.36 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.47 4.10 0.00 2.84 2.86 0.00 0.00 6.77 8.09 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 0.00 122 I 7.40 4.33 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.91 0.00 0.00 123 S 8.33 4.48 0.00 4.05 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 0.00 124 E 8.52 4.19 0.00 2.03 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 2.40 2.37 0.00 125 R 7.72 3.94 0.00 1.87 1.90 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 126 E 8.45 3.89 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 127 A 8.01 3.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.70 4.01 0.00 3.96 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 0.00 129 D 7.92 4.36 0.00 2.85 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 0.00 130 I 7.92 3.70 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 0.79 0.00 0.00 131 I 8.29 3.69 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.90 0.00 0.00 132 N 8.36 4.41 0.00 2.90 2.86 0.00 0.00 6.99 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 0.00 133 N 8.13 4.37 0.00 2.88 2.86 0.00 0.00 7.04 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 0.00 134 L 8.32 4.14 0.00 1.74 1.79 0.93 0.70 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 0.00 135 R 8.00 3.96 0.00 1.97 1.98 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 136 N 8.37 4.59 0.00 2.86 3.01 0.00 0.00 6.44 7.77 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 0.00 137 F 8.16 4.25 0.00 3.20 3.40 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 0.00 138 V 8.05 3.70 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 0.95 0.00 0.00 1.00 0.00 0.00 139 S 8.84 4.46 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.