NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 101 Q 4.2373 8.3444 121.7112 55.5242 29.6188 176.4120 102 S 4.3839 8.3382 112.4616 54.3006 64.8550 172.9599 103 T 4.2392 10.7500 121.1362 60.6071 71.8369 173.1154 104 P 4.2259 0.0000 0.0000 66.3359 31.3608 178.5950 105 D 4.3757 8.0407 116.7398 57.5251 40.8386 178.6121 106 E 3.9964 8.1472 119.1093 59.0553 29.3180 179.6623 107 V 3.5660 7.9179 118.4394 66.0168 31.6710 177.7298 108 N 4.3129 8.2178 115.9737 56.3199 38.5155 177.0067 109 A 3.9691 8.1364 121.8022 55.3756 18.4888 179.6113 110 A 3.9506 8.0106 119.0842 54.9769 18.3692 179.4850 111 L 3.8802 8.6594 119.8079 58.4833 42.0903 178.8019 112 D 4.3702 8.4795 119.0624 57.6951 40.7600 179.1359 113 R 3.9166 7.8990 118.0309 59.1565 29.9831 178.9711 114 L 3.9658 7.9633 118.6196 57.9755 41.6346 179.6709 115 L 4.0004 8.0602 118.7021 57.8851 41.5063 179.7220 116 I 3.6365 8.0795 119.7691 64.1690 36.9897 178.3202 117 A 3.9266 8.1703 121.7139 55.1214 18.2503 178.8666 118 D 4.2447 8.4318 116.7337 57.6371 41.0307 178.2688 119 A 3.9933 8.4009 119.9683 55.4934 18.4710 179.3083 120 L 4.0601 8.1884 117.1054 57.8880 41.4228 179.6756 121 A 3.9997 7.9041 119.9587 54.9605 18.3503 179.2427 122 Q 4.1209 7.8756 115.5086 57.1783 29.1265 176.7500 123 L 4.1714 6.8198 119.6981 54.6103 42.4778 177.6050 124 S 4.3971 8.3447 115.2305 57.8695 65.2488 175.0806 125 A 3.9831 8.4274 124.1266 55.5565 17.8672 179.9316 126 E 3.9772 8.0866 116.5027 59.6416 29.6041 179.2283 127 H 4.4593 7.9830 115.9294 58.8226 28.9523 177.6494 128 R 3.8999 8.2025 120.3384 59.3494 29.8607 178.1620 129 A 3.9754 8.1184 120.5069 55.5527 18.3837 180.0677 130 V 3.7352 7.5452 109.2247 64.2858 31.6535 179.0002 131 I 3.8007 7.8094 119.7412 64.1329 36.9423 178.0411 132 Q 4.2014 8.6733 120.8153 59.6369 28.9608 178.9101 133 R 3.4088 7.9733 119.0842 58.5070 29.8295 179.0865 134 S 4.4146 8.0091 114.1928 61.4002 63.3715 175.9665 135 Y 3.8044 7.9116 122.9322 59.8411 38.7276 176.0687 136 Y 4.1737 7.8924 115.5117 59.7744 38.4842 176.3576 137 R 4.2521 7.7896 116.2546 55.1454 30.9125 176.7773 138 G 3.9602 7.8274 105.5058 46.0444 0.0000 174.1690 139 W 4.5075 8.1238 119.1833 56.0759 29.8125 177.2214 140 S 4.5310 8.7503 117.0748 58.0155 64.8086 175.5115 141 T 3.9105 8.5828 119.0081 67.1254 68.1589 176.5419 142 A 4.0907 7.9602 121.7892 55.2952 18.4863 179.5219 143 Q 3.8294 8.0549 116.5313 59.1226 28.6265 179.1713 144 I 4.0935 8.2130 120.7456 64.2495 37.0761 177.9520 145 A 4.0220 8.2072 121.6654 55.7377 17.9858 179.3173 146 T 3.8017 7.6602 112.6675 67.2512 68.7390 175.6628 147 D 4.5427 7.9922 118.4522 57.2653 41.4276 177.7567 148 L 4.4797 8.2709 116.9303 54.0791 42.0991 177.0834 149 G 3.8912 8.2031 107.2455 46.3866 0.0000 173.1430 150 I 4.5669 7.5633 110.9601 57.9101 40.9867 174.5558 151 A 4.2554 8.1634 122.8187 51.5524 19.3761 178.0999 152 E 4.0594 9.0327 121.3289 59.5749 29.5808 179.6956 153 G 3.7316 8.1622 105.0514 48.3429 0.0000 175.5826 154 T 4.1325 7.8476 118.9683 65.4332 68.3440 177.1631 155 V 3.6033 7.7004 119.9869 65.9141 31.5729 177.8498 156 K 3.9322 7.9188 118.0063 59.5925 31.4405 179.3946 157 S 3.9918 8.0333 114.3057 61.5761 62.7942 176.3950 158 R 4.1444 8.5989 122.9380 59.0421 29.7083 178.4402 159 L 3.9798 8.3974 119.2547 57.9165 41.6552 178.7363 160 H 3.9390 8.2954 118.4022 59.7651 29.7283 176.9408 161 Y 4.1526 7.9064 117.9861 60.5808 37.5865 177.9628 162 A 3.6271 8.2385 122.2328 55.1938 18.5101 179.8261 163 V 3.4767 7.9278 116.8115 66.2533 31.5648 178.4778 164 R 3.8987 7.8246 117.1160 59.0255 29.9794 178.8760 165 A 3.9988 8.4742 121.1213 54.9484 18.3199 179.3741 166 L 3.8729 8.1001 118.9932 58.3687 42.2088 179.1114 167 R 3.8491 8.3221 118.9788 59.3125 29.9041 178.0471 168 L 4.0790 7.8651 118.7875 58.4748 41.6596 179.7938 169 T 3.8608 7.7433 114.6157 66.6112 68.3465 176.5683 170 L 3.9499 8.2208 121.2330 58.0171 41.6866 179.7173 171 Q 4.5189 8.5837 119.3218 58.5936 28.4796 178.4853 172 E 3.9681 8.3063 119.3109 59.2250 29.7853 178.3603 173 L 4.2359 8.4389 117.3759 55.5887 41.6897 177.9937 174 G 3.9005 7.8808 107.2185 45.6773 0.0000 174.7472 175 V 3.8212 8.0273 121.0667 64.5123 32.1419 176.4174 176 T 4.6591 7.4704 108.2387 59.4620 71.4094 173.8449 177 R 4.0818 8.4169 121.5013 56.7219 30.1440 176.1343 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 101 Q 8.34 4.24 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 102 S 8.34 4.38 0.00 3.90 3.69 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 0.00 103 T 10.75 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 1.25 0.00 0.00 104 P 0.00 4.23 0.00 2.17 2.18 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 105 D 8.04 4.38 0.00 2.76 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 0.00 106 E 8.15 4.00 0.00 2.13 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 2.31 0.00 107 V 7.92 3.57 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 1.03 0.00 0.00 0.99 0.00 0.00 108 N 8.22 4.31 0.00 2.92 2.86 0.00 0.00 6.96 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 0.00 109 A 8.14 3.97 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 0.00 110 A 8.01 3.95 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 0.00 111 L 8.66 3.88 0.00 1.89 1.78 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.48 4.37 0.00 3.00 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 0.00 113 R 7.90 3.92 0.00 2.01 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 114 L 7.96 3.97 0.00 1.88 1.72 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.06 4.00 0.00 1.68 1.71 0.96 0.70 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 0.00 116 I 8.08 3.64 1.88 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 1.45 0.62 0.92 0.00 0.00 117 A 8.17 3.93 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 0.00 118 D 8.43 4.24 0.00 2.86 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 0.00 119 A 8.40 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 0.00 120 L 8.19 4.06 0.00 1.84 1.71 0.90 0.87 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 0.00 121 A 7.90 4.00 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 0.00 122 Q 7.88 4.12 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 123 L 6.82 4.17 0.00 1.81 1.65 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.34 4.40 0.00 3.98 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 0.00 125 A 8.43 3.98 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 0.00 126 E 8.09 3.98 0.00 1.99 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 2.41 2.39 0.00 127 H 7.98 4.46 0.00 3.35 3.34 0.00 5.64 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 0.00 128 R 8.20 3.90 0.00 1.89 1.93 0.00 3.06 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 129 A 8.12 3.98 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 0.00 130 V 7.55 3.74 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 0.88 0.00 0.00 1.07 0.00 0.00 131 I 7.81 3.80 1.94 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 1.43 0.66 1.05 0.00 0.00 132 Q 8.67 4.20 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 133 R 7.97 3.41 0.00 1.91 1.81 0.00 3.21 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 134 S 8.01 4.41 0.00 4.13 4.16 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 0.00 135 Y 7.91 3.80 0.00 2.82 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 0.00 136 Y 7.89 4.17 0.00 3.19 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 0.00 137 R 7.79 4.25 0.00 1.25 1.57 0.00 2.21 0.00 0.00 2.62 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 138 G 7.83 3.96 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 0.00 0.00 0.00 139 W 8.12 4.51 0.00 3.48 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 0.00 140 S 8.75 4.53 0.00 4.10 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 0.00 141 T 8.58 3.91 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 1.32 0.00 0.00 142 A 7.96 4.09 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 0.00 143 Q 8.05 3.83 0.00 2.22 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 144 I 8.21 4.09 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.20 1.04 0.00 0.00 145 A 8.21 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.80 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 1.18 0.00 0.00 147 D 7.99 4.54 0.00 2.83 3.10 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 0.00 148 L 8.27 4.48 0.00 1.77 1.75 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.20 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 0.00 0.00 0.00 150 I 7.56 4.57 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 1.00 0.00 0.00 151 A 8.16 4.26 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 0.00 152 E 9.03 4.06 0.00 2.06 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 2.40 2.41 0.00 153 G 8.16 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.85 4.13 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 1.26 0.00 0.00 155 V 7.70 3.60 2.28 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 1.20 0.00 0.00 1.01 0.00 0.00 156 K 7.92 3.93 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 157 S 8.03 3.99 0.00 4.16 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 0.00 158 R 8.60 4.14 0.00 2.09 2.17 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 159 L 8.40 3.98 0.00 2.03 1.71 0.96 0.89 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 0.00 160 H 8.30 3.94 0.00 3.06 3.11 0.00 5.58 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 0.00 161 Y 7.91 4.15 0.00 3.07 2.93 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 0.00 0.00 0.00 162 A 8.24 3.63 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 0.00 163 V 7.93 3.48 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 1.01 0.00 0.00 0.96 0.00 0.00 164 R 7.82 3.90 0.00 1.87 1.92 0.00 2.77 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 165 A 8.47 4.00 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 0.00 166 L 8.10 3.87 0.00 1.91 1.81 0.89 0.96 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 0.00 167 R 8.32 3.85 0.00 1.91 2.03 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 168 L 7.87 4.08 0.00 2.09 1.73 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 169 T 7.74 3.86 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 1.21 0.00 0.00 170 L 8.22 3.95 0.00 1.90 1.71 0.91 0.97 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 0.00 171 Q 8.58 4.52 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.32 0.00 172 E 8.31 3.97 0.00 1.93 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 2.32 2.35 0.00 173 L 8.44 4.24 0.00 1.85 1.70 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 174 G 7.88 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 0.00 175 V 8.03 3.82 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 0.81 0.00 0.00 0.93 0.00 0.00 176 T 7.47 4.66 4.23 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 1.19 0.00 0.00 177 R 8.42 4.08 0.00 1.79 1.84 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00