Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2771.05 969 0.2693 5.501913 1078.3 1.92 15925.7386116.56 2 2825.89 943 0.2705 5.882015 1100.9 1.96 15829.9444126.66 3 2856.46 951 0.2694 5.651959 1104.3 2.22 16129.2940161.29 4 2869.85 964 0.2733 5.841932 1084.3 1.91 15828.2650128.55 5 2888.97 979 0.2718 5.502001 1111.0 2.06 16928.6180122.08 6 2909.65 959 0.2704 5.462033 1146.2 2.26 16326.5846116.85 7 2937.481030 0.2752 5.902120 1178.1 2.01 15725.3606105.44 8 2957.261008 0.2683 6.212114 1185.2 2.39 15427.6559106.25 9 2958.32 965 0.2808 5.981981 1109.0 1.72 15428.0726149.99 10 2985.051065 0.2811 4.742092 1169.1 1.70 16025.9683 97.89 11 2992.891003 0.2782 5.872087 1158.1 2.13 16728.6106119.11 12 3021.261084 0.2807 5.302093 1184.0 1.85 17026.2347106.07 13 3027.471023 0.2733 5.432117 1196.1 1.99 15627.3320114.56 14 3029.541057 0.2789 4.372099 1182.3 1.87 15528.0175117.43 15 3032.27 973 0.2742 5.822119 1193.3 1.92 16628.3702129.52 16 3034.481078 0.2835 5.642092 1163.1 1.83 17627.7149140.04 17 3039.76 978 0.2749 5.422131 1189.4 2.18 17228.6736155.88 18 3040.34 958 0.2698 5.672159 1213.3 2.39 16528.0675102.42 19 3044.011055 0.2819 5.132020 1135.8 1.88 16329.5978122.84 20 3058.411013 0.2696 5.752167 1233.4 2.13 16628.2459109.04 Ave 2964.021003 0.2748 5.552062 1155.8 2.02 16227.8183122.42 +/- 82.31 44 0.0049 0.42 73 43.6 0.19 6 1.2411 17.27 Min 2771.05 943 0.2683 4.371913 1078.3 1.70 15425.3606 97.89 Max 3058.411084 0.2835 6.212167 1233.4 2.39 17629.9444161.29 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ASP 37 - QD PRO 40 5.18 8 0.09 0.19 * + + ++ + ++ peak 1550 Upper HA GLU 41 - HE ARG 44 5.50 14 0.66 1.87 ++ + ++ + + ++*++++ peak 650 Upper HA GLU 41 - HD1 TRP 72 4.56 6 0.13 0.86 + ++ + * + peak 52 Upper QB ALA 43 - QB PHE 47 5.34 9 0.18 0.74 ++ + + * +++ + peak 3235 Upper QB ALA 43 - HG LEU 68 4.81 15 0.31 0.85 ++ + ++ + ++++++*++ peak 1528 Upper QB ALA 43 - HB2 TRP 72 5.50 6 0.19 0.98 + +* +++ peak 2635 Upper QB ALA 43 - HB3 TRP 72 4.15 7 0.24 1.12 + +* +++ + peak 2633 Upper QB ALA 43 - HD1 TRP 72 3.97 18 0.65 1.24 +++++ ++ ++++++++++* peak 223 Upper QB ALA 43 - HE1 TRP 72 5.13 17 0.74 1.45 ++ ++ ++ +++++++*+++ peak 258 Upper H ARG 44 - HD1 TRP 72 4.65 15 0.36 0.96 + *++++ ++++ + ++++ peak 54 Upper HA ARG 44 - HA LEU 68 5.50 7 0.17 1.24 *++ + + ++ peak 2488 Upper HA ARG 44 - HE1 TRP 72 5.50 16 0.95 1.89 ++ ++ ++ + +*+++++++ peak 251 Upper QB ARG 44 - HD1 TRP 72 4.06 8 0.23 1.06 + +* + ++ + + peak 226 Upper QB ARG 44 - HE1 TRP 72 4.50 10 0.17 0.60 + ++* +++ + ++ peak 261 Upper QD ARG 44 - QE PHE 47 3.94 6 0.25 1.26 + +++ * + peak 312 Upper QD ARG 44 - HZ PHE 47 5.34 6 0.18 1.18 + ++ * ++ peak 1832 Upper QD ARG 44 - HZ2 TRP 72 3.90 13 0.36 0.72 + + + +++ *+++ +++ peak 185 Upper HD2 ARG 44 - HZ2 TRP 72 4.69 16 0.34 1.02 + * ++++ ++++++++++ peak 185 Upper QD ARG 44 - QG GLU 367 4.89 15 2.30 3.86 ++ + ++ + +++++*+++ peak 1820 Upper QD ARG 44 - QQD LEU 368 5.28 14 0.88 2.10 ++ + ++ + ++++++ *+ peak 2498 Upper HD3 ARG 44 - HZ2 TRP 72 4.69 12 0.24 0.67 ++ + ++++*+ + ++ peak 186 Upper HE ARG 44 - QG GLU 367 5.29 15 2.54 4.53 ++ * ++ + +++++++++ peak 653 Upper HA ARG 46 - HB2 CYS 49 5.50 7 0.14 0.85 + ++ +* + + peak 2002 Upper HA ARG 46 - HB3 CYS 49 5.50 10 0.21 0.76 ++ + +*+++++ peak 2003 Upper QD ARG 46 - QD2 LEU 68 4.42 7 0.09 0.53 + + + + +*+ peak 2483 Upper H PHE 47 - QD2 LEU 68 4.73 8 0.21 0.92 + + + + + +* + peak 2533 Upper QD PHE 47 - QQD LEU 65 3.66 12 0.42 1.56 ++++ + ++ ++ + *+ peak 2404 Upper QD PHE 47 - QB LEU 68 3.60 13 0.28 0.68 + +++ *+++ +++++ peak 301 Upper QD PHE 47 - QD1 LEU 68 3.76 12 0.39 1.16 +++ +*++ +++ + + peak 306 Upper QD PHE 47 - QD2 LEU 68 3.76 14 0.52 1.37 + + +++* ++ ++++++ peak 305 Upper QD PHE 47 - H CYS 69 4.09 16 0.71 2.21 ++ +*++++++++ ++ ++ peak 96 Upper QD PHE 47 - QB CYS 69 5.34 19 0.80 2.18 +++ +*++++++++++++++ peak 2547 Upper QD PHE 47 - HA LEU 365 5.50 19 1.38 2.59 +++++ *+++++++++++++ peak 2386 Upper QE PHE 47 - HG LEU 65 3.76 6 0.13 1.15 + +* ++ + peak 317 Upper QE PHE 47 - QB LEU 68 4.73 13 0.26 0.90 ++++ * ++ ++++++ peak 2520 Upper QE PHE 47 - HB3 LEU 68 5.50 19 1.02 1.82 ++++++*++++++++++++ peak 2524 Upper QE PHE 47 - HG LEU 68 5.50 10 0.30 1.73 + + + ++ + +++* peak 2527 Upper QE PHE 47 - QB GLN 91 4.22 6 0.62 2.99 + *++ + + peak 314 Upper QE PHE 47 - HA LEU 365 5.39 15 0.96 2.38 ++ + ++ + *++++++++ peak 2387 Upper QE PHE 47 - HB2 LEU 365 5.50 12 0.78 2.10 ++ + + + * ++++++ peak 2383 Upper QE PHE 47 - HB3 LEU 365 5.50 11 0.50 2.21 + + ++ *+++++ + peak 2381 Upper QE PHE 47 - HG LEU 365 5.50 12 0.60 1.65 *++ ++ ++++ +++ peak 2391 Upper QE PHE 47 - HA VAL 388 3.94 19 1.92 3.07 + ++++++++*+++++++++ peak 95 Upper QE PHE 47 - QQG VAL 388 4.47 15 1.13 1.95 + ++ ++++ + *+++ +++ peak 2762 Upper QE PHE 47 - H PHE 392 5.50 15 0.99 2.82 ++++ +*+++++++ + + peak 425 Upper HZ PHE 47 - H GLN 91 4.79 6 0.77 3.12 + *++ + + peak 1150 Upper HZ PHE 47 - QB GLN 391 3.62 8 0.19 0.83 + + +*++ + + peak 288 Upper HZ PHE 47 - HG2 GLN 391 4.24 10 0.26 1.06 + ++++ ++ *+ + peak 295 Upper HA ARG 48 - QE2 GLN 391 4.41 6 0.37 1.60 + ++ + * + peak 414 Upper QG ARG 48 - QB PHE 50 5.34 13 0.22 0.52 + ++ *+++++++++ peak 2012 Upper QG ARG 48 - HE21 GLN 391 5.50 10 0.16 0.49 * ++ +++ + + ++ peak 1064 Upper HA PHE 50 - HB2 HIS 51 5.50 7 0.09 0.20 + + + *+ ++ peak 2041 Upper QB PHE 50 - QQD LEU 65 4.40 15 0.38 1.46 +++++ +* +++ +++++ peak 2370 Upper QB PHE 50 - QB ALA 395 5.34 9 0.36 1.42 + *+ + ++ ++ + peak 2012 Upper QD PHE 50 - H GLN 64 4.61 16 0.58 1.46 +++++++ +++ + +++ +* peak 80 Upper QD PHE 50 - QQD LEU 65 3.31 19 1.14 2.00 +++++++*+++++++++++ peak 281 Upper QD PHE 50 - H ALA 361 5.50 15 2.02 3.36 ++ * ++ + +++++++++ peak 869 Upper QD PHE 50 - QB ALA 395 3.02 17 1.16 2.21 + + *+ +++++++++++++ peak 8165 Upper QE PHE 50 - QB TYR 52 4.05 7 0.25 1.21 + ++ + + +* peak 262 Upper QE PHE 50 - H GLU 53 5.46 6 0.11 0.50 ++ + * ++ peak 797 Upper QE PHE 50 - QQD LEU 65 4.10 17 0.91 1.45 +++++ +++++*+ +++++ peak 272 Upper QE PHE 50 - QB ALA 95 4.52 6 0.67 2.96 + + ++ * + peak 267 Upper QE PHE 50 - QB ALA 395 3.34 13 0.58 1.78 + + ++ ++++ + +++* peak 8164 Upper HB2 HIS 51 - QG GLU 53 4.84 10 0.13 0.49 + ++ +++ * +++ peak 2048 Upper HB3 HIS 51 - QG GLU 53 5.41 9 0.14 0.48 + ++ +++ * + + peak 2043 Upper HD2 HIS 51 - H TYR 52 5.50 16 0.20 0.46 + +++ + +++++++*+++ peak 152 Upper HE1 HIS 51 - HB2 GLU 53 5.30 13 0.17 0.49 ++ + ++ ++++*+++ peak 259 Upper H TYR 52 - HB3 GLU 360 5.36 15 4.01 6.21 ++ + +* + +++++++++ peak 794 Upper H TYR 52 - HD3 PRO 397 5.50 20 1.87 3.02 ++++++*+++++++++++++ peak 789 Upper HA TYR 52 - HA PRO 58 5.50 7 0.20 1.28 + + +*+ + + peak 978 Upper HA TYR 52 - QB ALA 395 5.06 6 0.21 1.19 *+++ + + peak 1717 Upper QB TYR 52 - H ALA 395 5.13 9 0.58 2.16 +*+++ +++ + peak 1114 Upper QB TYR 52 - HA LEU 396 4.90 10 0.20 1.06 + +++ * ++ +++ peak 3343 Upper QB TYR 52 - QQD LEU 396 4.16 18 0.88 1.56 ++++++ ++++*+++++++ peak 8179 Upper QB TYR 52 - HD2 PRO 397 5.00 17 0.77 1.51 + ++*+++++++++++++ peak 3382 Upper QB TYR 52 - HD3 PRO 397 4.82 6 0.12 0.66 * + + ++ + peak 2061 Upper QD TYR 52 - QG GLU 54 4.66 12 0.26 0.81 + + ++++ + +* +++ peak 2191 Upper QD TYR 52 - HB2 PRO 58 4.76 8 0.27 0.99 ++++ + * + + peak 245 Upper QD TYR 52 - QB ALA 395 3.68 12 0.27 1.09 +++*++ ++ + ++ + peak 8175 Upper QD TYR 52 - QB LEU 396 4.28 10 0.51 1.75 + *+ ++++ ++ + peak 249 Upper QD TYR 52 - QQD LEU 396 3.24 19 0.85 1.65 ++ ++++++*++++++++++ peak 252 Upper QD TYR 52 - QD1 LEU 396 4.32 16 0.73 1.64 + +++ ++++++++*+++ peak 251 Upper QD TYR 52 - QD2 LEU 396 4.32 10 0.38 1.54 + + ++ +* +++ + peak 252 Upper QD TYR 52 - QG PRO 397 3.81 17 0.66 1.39 ++++ ++++ ++++*++++ peak 243 Upper QD TYR 52 - HD2 PRO 397 3.70 15 0.41 0.94 + ++* +++++++++++ peak 241 Upper QD TYR 52 - QD1 ILE 400 4.11 18 0.84 1.81 +++++++ ++++*++++++ peak 8115 Upper QE TYR 52 - QG GLU 54 3.53 11 0.23 1.02 +++ + + + *+ +++ peak 231 Upper QE TYR 52 - HA PRO 58 3.34 17 1.06 2.25 ++ + *+++++++++++++ peak 46 Upper QE TYR 52 - HB2 PRO 58 5.47 8 0.33 1.37 *+ ++++ + + peak 2173 Upper QE TYR 52 - HB3 PRO 58 3.81 10 0.54 1.84 *+ + ++++++ + peak 230 Upper QE TYR 52 - HD2 PRO 58 3.48 14 0.46 1.59 ++ +++++ +++* + ++ peak 48 Upper QE TYR 52 - QB ALA 395 4.34 17 0.98 2.27 +++*++ +++++ ++ ++++ peak 8176 Upper QE TYR 52 - QQD LEU 396 3.75 11 0.31 1.29 + + + * + ++++ ++ peak 240 Upper QE TYR 52 - QD1 LEU 396 5.14 6 0.17 1.24 + + + + +* peak 239 Upper QE TYR 52 - QG1 ILE 400 4.65 10 0.35 1.04 + + + *+ ++++ + peak 234 Upper QE TYR 52 - QD1 ILE 400 3.47 13 0.40 1.57 + ++ + ++*++++++ peak 237 Upper QE TYR 52 - QQG VAL 419 3.60 20 1.84 2.65 +++++++++++++++++++* peak 8189 Upper QE TYR 52 - QD ARG 423 5.50 15 1.01 2.21 ++ * ++ + +++++++++ peak 4040 Upper H GLU 53 - HA3 GLY 57 5.50 10 0.23 0.86 ++ ++ ++ ++* + peak 2129 Upper HA GLU 53 - QG2 THR 56 4.79 6 0.26 1.41 + + +++ * peak 3897 Upper QB GLU 53 - HA THR 56 5.34 7 0.18 0.88 + + +++*+ peak 2109 Upper QB GLU 53 - QG2 THR 56 4.04 6 0.23 1.10 + * +++ + peak 2081 Upper HB3 GLU 53 - HB THR 56 4.72 8 0.27 1.34 + + + ++*++ peak 2101 Upper QG GLU 53 - H GLY 57 4.13 18 0.63 1.55 +++++++++++++*++ ++ peak 823 Upper HA GLU 54 - QG2 THR 56 5.50 14 0.49 1.51 ++ ++ + ++*++++++ peak 1764 Upper HA GLU 54 - H GLY 57 4.95 6 0.23 1.48 ++++* + peak 2185 Upper QB ALA 55 - HB THR 56 3.91 16 0.36 1.73 + + ++++++++ *+ ++++ peak 8150 Upper HA THR 56 - HB3 GLU 60 5.50 9 0.23 0.92 +++* + + + + + peak 2109 Upper HB THR 56 - QG GLU 60 3.81 7 0.15 1.12 + +++ +*+ peak 2104 Upper HB THR 56 - HG2 GLU 60 4.34 12 0.59 2.09 ++++ + + ++ +*++ peak 2104 Upper HB THR 56 - HG3 GLU 60 4.34 8 0.25 1.59 + +++ + +*+ peak 2105 Upper QG2 THR 56 - HE21 GLN 64 5.07 10 0.28 1.21 + + + +++ * + ++ peak 919 Upper QG2 THR 56 - HE22 GLN 64 4.38 17 0.75 1.75 ++++*++++ + + ++++++ peak 1770 Upper QG2 THR 56 - HD3 PRO 97 5.50 15 1.28 4.81 +++++++ * +++++++ peak 1764 Upper HA3 GLY 57 - H GLN 59 5.50 9 0.22 0.83 + +* ++++ ++ peak 2129 Upper HA3 GLY 57 - QE2 GLN 59 4.88 16 0.83 1.67 ++++++ +++++ ++ ++* peak 845 Upper HA PRO 58 - H ALA 61 4.38 8 0.18 0.90 + ++ + + *++ peak 872 Upper HA PRO 58 - QE PHE 392 4.74 13 0.61 1.23 + ++++ + ++* +++ + peak 110 Upper HB2 PRO 58 - HZ PHE 392 3.61 17 0.89 2.10 + +++++++++* +++ +++ peak 170 Upper HB2 PRO 58 - HA ALA 416 3.72 18 1.27 2.29 ++++++++++ +++++* ++ peak 8252 Upper HB2 PRO 58 - QB ALA 416 3.94 19 0.84 1.52 +++++++++* +++++++++ peak 8257 Upper HB2 PRO 58 - QG1 VAL 419 4.38 12 0.60 1.44 +* + + +++ ++ + ++ peak 2139 Upper HB2 PRO 58 - QG2 VAL 419 4.38 14 0.59 1.37 ++ + * + +++++++++ peak 2140 Upper HB3 PRO 58 - QQD LEU 93 4.39 16 1.26 3.39 ++++ + *++++++++ ++ peak 3269 Upper HB3 PRO 58 - QE PHE 392 4.46 13 0.63 1.73 + +++* + +++ +++ + peak 156 Upper HB3 PRO 58 - HZ PHE 392 4.92 18 1.01 2.20 +++++++++++* +++ +++ peak 2169 Upper HB3 PRO 58 - HA ALA 416 4.32 20 1.94 2.83 ++++++*+++++++++++++ peak 2136 Upper HB3 PRO 58 - QB ALA 416 4.18 20 1.94 2.69 +++++++++*++++++++++ peak 2132 Upper HB3 PRO 58 - QG1 VAL 419 4.66 12 0.48 1.26 ++ + + + + *+++ ++ peak 2133 Upper HB3 PRO 58 - QG2 VAL 419 4.66 13 0.52 1.32 ++ + * + ++++++ ++ peak 2131 Upper HG2 PRO 58 - HZ PHE 392 3.74 20 1.67 3.48 +++++++++++*++++++++ peak 169 Upper HG2 PRO 58 - QD1 ILE 400 3.84 10 0.43 1.97 +* + ++ + + + ++ peak 8117 Upper HG2 PRO 58 - HA ALA 416 4.63 10 0.74 1.75 *+ + + + ++ + ++ peak 3890 Upper HG2 PRO 58 - QB ALA 416 4.45 16 0.57 1.37 +++++ + ++ *+++++ ++ peak 1621 Upper QD PRO 58 - H GLN 59 3.92 6 0.14 0.72 + +* + + + peak 834 Upper QD PRO 58 - QE2 GLN 59 4.12 7 0.09 0.53 + + + + ++* peak 866 Upper QD PRO 58 - QQD LEU 93 4.37 20 2.67 4.55 ++++++++*+++++++++++ peak 3288 Upper QD PRO 58 - QB LEU 96 4.10 11 1.00 3.48 +++++* + + + + + peak 8242 Upper QD PRO 58 - H GLU 360 5.35 14 0.95 2.57 +++++*++ + + + +++ peak 859 Upper QD PRO 58 - QQG VAL 419 3.74 10 0.66 2.02 ++ * + + ++ + ++ peak 1760 Upper HD3 PRO 58 - H GLN 59 4.49 10 0.19 0.76 + +* ++++ + ++ peak 834 Upper H GLN 59 - H LEU 93 5.50 20 1.75 2.67 ++++++++*+++++++++++ peak 161 Upper H GLN 59 - QB LEU 96 5.34 11 0.71 2.41 + +++ * + ++++ + peak 3365 Upper H GLN 59 - QQD LEU 96 5.24 6 0.21 1.29 * ++ + + + peak 3358 Upper H GLN 59 - QE2 GLN 101 5.34 18 1.66 3.72 +++++++ *++++++++ ++ peak 482 Upper H GLN 59 - QB ALA 115 4.91 20 1.71 3.38 ++++++++++++++*+++++ peak 839 Upper H GLN 59 - QQD LEU 362 4.24 13 0.97 2.79 *+ + + + + +++++++ peak 8218 Upper H GLN 59 - QB ALA 416 3.58 17 0.70 1.19 ++ +++++ * +++++++++ peak 8135 Upper HA GLN 59 - QG GLN 59 3.18 6 0.07 0.30 + + + * + + peak 2203 Upper HA GLN 59 - HG3 GLN 59 3.79 8 0.13 0.45 + * + + +++ + peak 2203 Upper HA GLN 59 - HB3 LEU 62 4.48 7 0.25 1.37 ++ + * + ++ peak 1873 Upper HA GLN 59 - HG LEU 62 4.48 12 0.68 2.12 + + + ++ +++ + *++ peak 2291 Upper HA GLN 59 - QD2 LEU 62 4.63 7 0.15 0.67 ++ * + + + + peak 2289 Upper HA GLN 59 - QQD LEU 362 3.37 11 0.64 2.01 *+ + + + + + ++++ peak 8214 Upper HA GLN 59 - HZ PHE 392 4.55 7 0.17 1.28 +++++* + peak 117 Upper QB GLN 59 - H GLU 60 3.10 7 0.21 0.87 + *+ + + + + peak 861 Upper QB GLN 59 - H ALA 61 4.28 7 0.18 0.74 + +*+ + + + peak 891 Upper QB GLN 59 - QD PHE 92 4.86 13 0.59 2.28 +++++++ * + + ++ + peak 152 Upper QB GLN 59 - HA ALA 416 5.50 6 0.29 1.68 ++ * + + + peak 3889 Upper QB GLN 59 - QB ALA 416 3.13 12 0.54 1.96 ++ * + + ++++ +++ peak 8137 Upper HG2 GLN 59 - H GLU 60 4.91 6 0.18 1.00 + * + ++ + peak 2224 Upper QG GLN 59 - QE2 GLN 359 4.30 9 0.27 1.15 + +++ * + + ++ peak 828 Upper HG2 GLN 59 - QB ALA 416 4.09 6 0.37 1.72 ++ + + + * peak 2206 Upper QG GLN 59 - QB ALA 416 3.50 6 0.31 1.87 ++ + * + + peak 1622 Upper HG3 GLN 59 - H GLU 60 4.91 10 0.12 0.38 +++++ ++ ++* peak 2220 Upper QE2 GLN 59 - QQD LEU 62 4.77 9 0.16 0.54 ++ *++ + + + + peak 852 Upper QE2 GLN 59 - QB LEU 96 4.03 15 1.59 3.39 + +++ ++*++++++ ++ peak 849 Upper QE2 GLN 59 - QQD LEU 96 3.94 11 0.62 1.84 + +++ ++++++* peak 3353 Upper QE2 GLN 59 - HA GLN 101 5.34 17 3.16 5.44 ++++++ ++*++++++ ++ peak 3521 Upper QE2 GLN 59 - QQG VAL 104 5.13 16 1.31 3.10 +++++ ++++++*++ ++ peak 3579 Upper QE2 GLN 59 - QG GLN 359 4.30 6 0.20 1.71 *+ + + + + peak 828 Upper HE21 GLN 59 - QB ALA 416 3.79 6 0.16 0.91 ++ + *+ + peak 850 Upper QE2 GLN 59 - H VAL 419 4.55 15 0.98 2.87 *+ + + +++++++++++ peak 627 Upper QE2 GLN 59 - HB VAL 419 4.55 11 0.49 1.37 ++ + + + + ++*++ peak 3966 Upper QE2 GLN 59 - H ASP 420 5.18 13 0.73 2.60 +*++ + +++ + + +++ peak 628 Upper HE22 GLN 59 - QB ALA 416 3.79 6 0.21 1.56 +++ ++ * peak 1656 Upper H GLU 60 - QQD LEU 96 5.44 10 0.73 2.55 *+++ ++++ ++ peak 3359 Upper H GLU 60 - HD3 PRO 97 5.50 17 2.71 5.98 +++ +++ *++++++++ ++ peak 859 Upper H GLU 60 - QD PRO 358 5.35 14 0.95 2.72 +++*++ ++++ + + ++ peak 859 Upper HA GLU 60 - H GLN 64 5.50 18 0.68 1.46 +++++++* +++++++ +++ peak 2247 Upper QB GLU 60 - HE21 GLN 64 4.19 14 0.51 1.29 + + ++++ ++*++ +++ peak 916 Upper QB GLU 60 - H TYR 352 5.21 6 1.42 5.87 + ++ + * + peak 794 Upper QG GLU 60 - HE21 GLN 64 3.65 9 0.28 1.54 + *+ ++ + + + + peak 914 Upper H ALA 61 - QQD LEU 62 4.36 14 0.33 0.84 +++++ *+ +++++ ++ peak 8217 Upper H ALA 61 - QE PHE 92 5.50 8 0.53 2.35 +++* + + ++ peak 869 Upper H ALA 61 - QD PHE 350 5.50 7 0.68 2.95 * +++++ + peak 869 Upper H ALA 61 - QE PHE 392 4.72 13 0.52 1.68 + ++++ *+++++ ++ peak 130 Upper HA ALA 61 - QB GLN 64 3.71 15 0.56 1.55 ++ + *+ +++++++ +++ peak 2332 Upper HA ALA 61 - H LEU 65 5.50 7 0.22 1.00 + + + ++ +* peak 3665 Upper QB ALA 61 - HG LEU 62 4.95 13 0.37 1.08 + +++ *+++++ + ++ peak 2282 Upper QB ALA 61 - QQD LEU 62 3.61 17 0.37 1.07 ++++*+ ++++++++++ + peak 8209 Upper QB ALA 61 - H PHE 92 4.29 9 0.54 2.09 +++++++ * + peak 1166 Upper QB ALA 61 - QB LEU 362 3.49 15 1.73 3.36 ++ + ++ + +++++++*+ peak 1600 Upper QB ALA 61 - HG LEU 362 5.50 15 1.22 2.57 ++ + ++ + ++++++*++ peak 2282 Upper QB ALA 61 - QQD LEU 362 4.29 14 0.70 1.54 +* + + + +++++++++ peak 1596 Upper QB ALA 61 - QD1 LEU 362 5.50 9 0.54 1.93 * + ++ + + +++ peak 1596 Upper QB ALA 61 - QD2 LEU 362 5.50 11 0.66 1.98 *+ + + + + ++ +++ peak 1595 Upper QB ALA 61 - QD PHE 392 3.25 13 0.50 1.49 + +*+ +++++++ ++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.19 20 1.75 2.63 +++++++++++++*++++++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 14 0.70 1.47 + +++ *+++++ + +++ peak 884 Upper H LEU 62 - HG LEU 65 5.50 10 0.27 1.76 + +++ ++*+++ peak 2392 Upper H LEU 62 - QQG VAL 88 5.14 12 0.47 1.65 ++ + + * ++ +++++ peak 886 Upper H LEU 62 - HA PHE 92 4.20 8 0.60 2.68 + +++ * + + + peak 877 Upper H LEU 62 - QB LEU 362 3.55 15 0.70 2.01 ++ + ++ + +++++++*+ peak 883 Upper H LEU 62 - QB ALA 416 4.82 19 1.12 1.85 +++++++* +++++++++++ peak 1661 Upper HA LEU 62 - QQG VAL 88 3.60 7 0.26 1.21 ++ + * +++ peak 8202 Upper HA LEU 62 - H GLU 90 4.88 17 1.69 3.11 +++++++ * + ++++++++ peak 411 Upper HA LEU 62 - QG GLN 91 5.34 14 1.00 3.17 + + +++ * ++++++ ++ peak 3222 Upper HA LEU 62 - H PHE 92 4.33 17 1.20 3.35 +++++++ *++ +++++ ++ peak 428 Upper HA LEU 62 - HB2 LEU 362 4.58 11 0.45 1.51 ++ + +++++* ++ peak 747 Upper HA LEU 62 - QB LEU 362 3.87 13 0.61 1.39 + ++ + +++++++*+ peak 747 Upper HA LEU 62 - HB3 LEU 362 4.58 11 0.86 1.95 + + + *++++ +++ peak 769 Upper HA LEU 62 - HG LEU 362 5.25 11 0.42 1.80 + + + + *++ +++ + peak 777 Upper QB LEU 62 - QQG VAL 88 4.03 8 0.30 1.48 + + + * + + ++ peak 8197 Upper QB LEU 62 - HA GLN 359 4.83 6 0.12 0.72 * ++ ++ + peak 1874 Upper QB LEU 62 - QB ALA 416 3.61 17 1.03 2.66 ++ + ++* +++++++++++ peak 8139 Upper HG LEU 62 - QB LEU 362 3.86 8 0.17 0.65 +++ ++* + + peak 2283 Upper HG LEU 62 - QB PRO 412 5.34 7 0.17 1.12 + * + + ++ + peak 2282 Upper HG LEU 62 - QG GLU 413 5.18 15 1.15 2.96 ++ ++ ++ + +++*++ ++ peak 3840 Upper QQD LEU 62 - H ALA 63 4.47 6 0.05 0.16 + + * + + + peak 904 Upper QQD LEU 62 - H LEU 65 5.44 6 0.14 0.72 * ++++ + peak 2315 Upper QQD LEU 62 - H ARG 66 4.96 15 0.34 0.89 + + +++++ ++++++ +* peak 948 Upper QQD LEU 62 - H VAL 88 5.08 13 0.59 1.54 ++++ + * + + +++ ++ peak 1124 Upper QQD LEU 62 - H GLN 91 5.10 10 0.58 2.21 + +* +++ ++ + + peak 2312 Upper QQD LEU 62 - QG PRO 112 4.07 6 0.19 1.00 +* + + + + peak 3747 Upper QD1 LEU 62 - HG3 PRO 112 5.50 7 0.35 1.44 +* + + + + + peak 3748 Upper QD1 LEU 62 - H GLU 113 5.50 7 0.29 1.33 + + + + ++* peak 2307 Upper QQD LEU 62 - QG GLU 113 3.93 9 0.32 1.23 ++ + * + + +++ peak 8211 Upper QD1 LEU 62 - HG2 GLU 113 5.50 6 0.24 1.69 + + + + + * peak 3832 Upper QD1 LEU 62 - HG3 GLU 113 5.50 8 0.36 1.87 + ++ + + ++* peak 3835 Upper QQD LEU 62 - H ALA 116 4.77 11 0.26 1.13 ++ + + + ++++ * + peak 2305 Upper QQD LEU 62 - H GLN 359 4.24 14 1.25 2.72 * +++ ++++++ + +++ peak 8218 Upper QQD LEU 62 - HA GLN 359 3.37 13 0.83 1.94 * +++ ++++++ + + + peak 8214 Upper QQD LEU 62 - HZ PHE 392 3.69 10 0.31 1.69 ++++ *+ + +++ peak 8306 Upper QQD LEU 62 - HA PRO 412 4.12 7 0.11 0.57 +* ++++ + peak 2289 Upper QD1 LEU 62 - HB3 PRO 412 4.17 13 0.46 1.18 ++ ++* + + + ++++ + peak 2274 Upper QD1 LEU 62 - HG2 PRO 412 5.50 9 0.29 1.06 + + + + ++ *++ peak 3750 Upper QQD LEU 62 - QG PRO 412 3.76 13 0.50 1.24 ++ +++ + + ++++ *+ peak 8268 Upper QD1 LEU 62 - HG3 PRO 412 5.50 12 0.48 1.46 ++ +++ + + +++* + peak 3748 Upper QD1 LEU 62 - H GLU 413 5.50 10 0.29 0.93 + + + ++++ +*+ peak 2307 Upper QQD LEU 62 - HA GLU 413 3.34 14 0.51 1.22 ++ ++ + ++*++++++ peak 8213 Upper QD1 LEU 62 - HA GLU 413 4.43 9 0.38 1.76 + + ++++ +*+ peak 8304 Upper QQD LEU 62 - QB GLU 413 3.98 17 0.69 1.57 +* +++++ + +++++++++ peak 2274 Upper QD1 LEU 62 - HG2 GLU 413 5.50 7 0.24 1.36 * +++ +++ peak 2276 Upper QD1 LEU 62 - HG3 GLU 413 5.50 9 0.33 1.33 ++ + ++* +++ peak 3835 Upper QQD LEU 62 - QB ALA 415 4.38 15 0.63 1.37 + ++++++++++*+ ++ peak 1678 Upper QD1 LEU 62 - H ALA 416 4.97 13 0.50 1.74 +++++++++ + +*+ peak 2305 Upper QQD LEU 62 - H ALA 416 4.33 12 0.40 1.15 ++ +++++ *++++ peak 977 Upper QQD LEU 62 - HA ALA 416 4.35 19 0.69 1.52 ++++++++++++++ *++++ peak 3885 Upper QD1 LEU 62 - HA ALA 416 5.29 13 0.65 2.18 +++++++++ + +*+ peak 3885 Upper QQD LEU 62 - QB ALA 416 2.86 12 0.30 1.05 + + ++ + +++ + *++ peak 1619 Upper QD1 LEU 62 - QB ALA 416 3.42 10 0.43 2.27 ++++++ + + *+ peak 1619 Upper QQD LEU 62 - H ALA 417 5.04 18 0.87 1.96 ++ ++++* +++++++++++ peak 1299 Upper QD2 LEU 62 - HA PRO 112 5.42 7 0.20 1.20 + ++++ + * peak 3746 Upper QD2 LEU 62 - HG3 PRO 112 5.50 7 0.18 0.95 ++ + + +*+ peak 3747 Upper QD2 LEU 62 - H GLU 113 5.50 9 0.42 1.58 ++++ + ++* + peak 2316 Upper QD2 LEU 62 - HG2 GLU 113 5.50 6 0.16 1.10 ++ * + + + peak 8211 Upper QD2 LEU 62 - HG3 GLU 113 5.50 10 0.22 0.74 ++ + * +++ +++ peak 3834 Upper QD2 LEU 62 - HB3 PRO 412 4.17 13 0.60 1.74 *++ ++++++++ ++ peak 8266 Upper QD2 LEU 62 - HG2 PRO 412 5.50 7 0.11 0.65 + + ++++ * peak 3749 Upper QD2 LEU 62 - HG3 PRO 412 5.50 10 0.37 1.31 ++* ++++ + ++ peak 8268 Upper QD2 LEU 62 - H GLU 413 5.50 9 0.22 0.92 ++ +++ *++ + peak 2316 Upper QD2 LEU 62 - HA GLU 413 4.43 7 0.16 0.77 +* + +++ + peak 8213 Upper QD2 LEU 62 - H ALA 416 4.97 16 0.61 1.35 +++++ ++ + ++++*+ ++ peak 977 Upper QD2 LEU 62 - HA ALA 416 5.29 17 0.82 1.51 +++++ ++ + +++++*+++ peak 3886 Upper QD2 LEU 62 - QB ALA 416 3.42 15 0.49 1.60 *++++ + + +++++++ + peak 8208 Upper HA ALA 63 - QD ARG 66 4.53 10 0.40 1.30 ++ + +++ *+ + + peak 2422 Upper QB ALA 63 - H LEU 65 4.87 6 0.10 0.56 + + +* ++ peak 934 Upper H GLN 64 - HB3 LEU 65 5.50 11 0.16 0.41 + ++ *+ ++ ++++ peak 2390 Upper HA GLN 64 - HG3 GLN 64 3.98 6 0.07 0.26 + + ++ * + peak 1339 Upper HA GLN 64 - HE22 GLN 64 5.50 9 0.15 0.58 ++ + ++ ++* + peak 394 Upper QB GLN 64 - H LEU 65 3.43 8 0.19 0.57 + + ++ *+ ++ peak 2348 Upper HB3 GLN 64 - H LEU 65 4.30 10 0.15 0.36 + + *+ ++++ ++ peak 2348 Upper H LEU 65 - HG LEU 65 3.51 8 0.19 0.63 + + ++ ++ *+ peak 935 Upper H LEU 65 - QG GLU 67 5.34 12 0.55 1.37 + + + + ++++++*+ peak 2478 Upper HA LEU 65 - QD PHE 347 5.50 6 0.35 1.45 + ++ +* + peak 2386 Upper QB LEU 65 - H GLU 90 5.28 6 0.57 2.62 + +* + + + peak 1146 Upper QB LEU 65 - QQD LEU 362 4.85 14 0.67 1.85 ++ + ++ + ++++++ +* peak 2367 Upper QB LEU 65 - QQG VAL 388 3.15 13 0.38 1.07 + ++ *+ ++++++ ++ peak 3146 Upper HG LEU 65 - QQD LEU 362 5.15 15 1.00 2.03 ++ + ++ + +++++*+++ peak 2375 Upper QQD LEU 65 - QG ARG 66 4.27 7 0.30 1.21 + * + + + ++ peak 8283 Upper QD1 LEU 65 - H GLN 91 5.20 7 0.16 0.90 + + +++ * + peak 1154 Upper QQD LEU 65 - HA GLN 91 4.54 11 0.79 2.50 + + +++ + * ++ + + peak 3219 Upper QQD LEU 65 - QG GLN 91 3.42 6 0.37 1.70 + ++ + * + peak 8296 Upper QD1 LEU 65 - HG2 GLN 91 5.50 6 0.28 1.81 + ++ + * + peak 3213 Upper QQD LEU 65 - HA PHE 92 3.60 6 0.25 1.31 + ++ + * + peak 2394 Upper QQD LEU 65 - QD PHE 92 3.50 14 0.49 1.26 +++++ *+++ ++++ + peak 2395 Upper QD1 LEU 65 - QD PHE 92 4.14 13 0.72 1.92 ++++ *+ ++++ ++ + peak 2395 Upper QQD LEU 65 - HG LEU 362 5.44 6 0.20 1.22 + * + + + + peak 2280 Upper QQD LEU 65 - H ALA 363 5.44 10 0.23 0.95 + + + + ++ *+++ peak 906 Upper QQD LEU 65 - H LEU 365 4.19 8 0.21 1.01 ++ + + + ++* peak 937 Upper QD1 LEU 65 - H LEU 365 4.91 7 0.17 0.86 + + + + ++* peak 2400 Upper QQD LEU 65 - HA ARG 366 3.97 17 0.93 1.97 *++++ ++ + +++++++++ peak 2431 Upper QQD LEU 65 - QB ARG 366 4.38 12 0.60 1.97 *+ + ++ + ++++++ peak 2427 Upper QQD LEU 65 - QG ARG 366 3.73 17 0.87 2.20 *++++ ++ + +++++++++ peak 8295 Upper QD1 LEU 65 - QG ARG 366 4.82 16 0.93 2.28 *++++ ++ + ++++++++ peak 8283 Upper QQD LEU 65 - QD ARG 366 4.62 7 0.16 0.97 + + + * + + + peak 2360 Upper QQD LEU 65 - H GLU 367 5.44 13 0.37 0.96 +* + ++ + +++++++ peak 957 Upper QQD LEU 65 - QD PHE 392 3.29 18 0.64 1.34 +++ +++++++*+++++++ peak 8289 Upper QQD LEU 65 - QB ALA 395 4.52 17 0.64 1.84 + +++++++++++++++* peak 8169 Upper QD2 LEU 65 - QD PHE 92 4.14 10 0.46 2.36 + ++ * ++ +++ + peak 2402 Upper QD2 LEU 65 - H LEU 365 4.91 10 0.34 1.10 + + + + ++ +++* peak 937 Upper QD2 LEU 65 - QG ARG 366 4.82 11 0.51 2.11 + + ++ + *+ + +++ peak 8295 Upper H ARG 66 - QB ARG 366 4.19 15 0.71 1.81 ++ + +* + +++++++++ peak 2447 Upper H ARG 66 - HD3 ARG 366 5.50 9 0.21 1.58 + + + + *++ + + peak 2439 Upper H ARG 66 - QG1 VAL 388 3.88 10 0.35 2.32 ++ + * +++ ++ + peak 945 Upper H ARG 66 - QG2 VAL 388 3.88 17 1.24 2.49 + + ++++++++*++++++ peak 944 Upper HA ARG 66 - QQD LEU 365 3.97 13 0.65 1.79 ++++*+ ++++ + + + peak 2431 Upper HA ARG 66 - QG ARG 366 4.94 15 0.75 2.24 ++ + +* + +++++++++ peak 2417 Upper HA ARG 66 - HD2 ARG 366 5.50 14 0.78 1.89 ++ * ++ + +++++++ + peak 184 Upper HA ARG 66 - HD3 ARG 366 5.50 13 0.59 1.75 ++ + ++ + *+++ +++ peak 1292 Upper HA ARG 66 - QB LEU 384 4.22 19 2.37 4.28 ++++*+++++ +++++++++ peak 8248 Upper HA ARG 66 - QQG VAL 388 4.06 12 0.57 1.23 + + ++ *+++++++ peak 2430 Upper QB ARG 66 - HA VAL 88 5.26 14 0.64 2.52 +++ + + + *+++ + +++ peak 3139 Upper QB ARG 66 - QQD LEU 365 4.38 6 0.25 1.23 + ++ * + + peak 2427 Upper QB ARG 66 - H ARG 366 4.19 6 0.33 1.69 + ++ ++ * peak 2447 Upper QB ARG 66 - H GLU 367 4.57 6 0.61 3.59 + *+ ++ + peak 2437 Upper QB ARG 66 - HA VAL 388 5.47 7 0.22 1.23 + + +* + ++ peak 3139 Upper QB ARG 66 - QQG VAL 388 3.04 16 0.79 1.85 ++ + ++++ ++++++*++ peak 3145 Upper QB ARG 66 - QG1 VAL 388 3.86 11 0.56 1.79 + + *+ + +++ +++ peak 2426 Upper QB ARG 66 - QG2 VAL 388 3.86 15 1.00 1.96 + + +++* +++++++++ peak 3145 Upper QG ARG 66 - QQG VAL 88 4.07 9 0.32 1.17 * + +++ + + ++ peak 8230 Upper QG ARG 66 - QG2 VAL 88 5.50 9 0.39 1.86 + + + ++ + + +* peak 8230 Upper QG ARG 66 - QD1 LEU 365 4.82 9 0.32 1.32 ++++ + * + ++ peak 8283 Upper QG ARG 66 - QQD LEU 365 3.73 7 0.20 1.19 ++++ * + + peak 8295 Upper QG ARG 66 - QQG VAL 388 3.48 11 0.75 2.73 + * ++ + ++++ ++ peak 3144 Upper QD ARG 66 - QQG VAL 388 3.93 12 0.62 2.12 + + +* ++ +++++ + peak 3150 Upper HD3 ARG 66 - H GLU 367 5.50 6 0.45 3.10 + *+ + ++ peak 2434 Upper H GLU 67 - HG2 GLU 67 4.10 10 0.23 0.71 + * + +++++ ++ peak 950 Upper H GLU 67 - QG GLU 67 3.56 9 0.19 0.60 * + + +++++ + peak 950 Upper H GLU 67 - HG3 GLU 67 4.10 9 0.15 0.49 + + + +*++++ peak 2468 Upper H GLU 67 - H LEU 68 3.68 7 0.18 0.83 + + * ++ ++ peak 217 Upper H GLU 67 - HG LEU 68 5.50 14 0.64 1.78 *+++++++ ++++ ++ peak 2527 Upper H GLU 67 - QQD LEU 68 4.52 14 0.39 1.15 ++ * ++++ ++ +++++ peak 956 Upper H GLU 67 - HD2 ARG 70 5.50 19 0.98 2.59 +++++ ++++*+++++++++ peak 2601 Upper H GLU 67 - HD3 ARG 70 5.50 20 1.02 3.17 ++++++++++*+++++++++ peak 2602 Upper H GLU 67 - QB ARG 366 4.57 16 1.75 2.98 ++ + ++++ ++++++*++ peak 2437 Upper H GLU 67 - QG ARG 366 5.49 15 1.51 2.50 ++ + ++ + ++++++++* peak 953 Upper H GLU 67 - HD2 ARG 366 5.50 17 1.64 2.71 ++ + ++++++++*+++++ peak 2436 Upper H GLU 67 - HD3 ARG 366 5.50 17 1.42 2.75 ++ ++ ++++ +++*+++++ peak 2434 Upper HA LEU 68 - QB GLN 71 4.11 6 0.11 0.96 + + + + +* peak 193 Upper HA LEU 68 - HZ2 TRP 372 4.98 16 1.28 4.03 ++ ++++*+++++++++ peak 139 Upper QB LEU 68 - HE1 TRP 72 5.34 15 0.44 0.89 ++ + ++ + +*+++++++ peak 256 Upper QB LEU 68 - HZ2 TRP 372 5.34 15 0.54 1.27 ++ ++ +*+++++++++ peak 2524 Upper QQD LEU 68 - H CYS 69 3.64 16 0.28 0.50 ++ + +++++ ++ ++++*+ peak 2535 Upper QD1 LEU 68 - H CYS 69 4.56 11 0.22 0.75 ++++ ++ +++* + peak 2515 Upper QQD LEU 68 - QB CYS 69 4.63 18 0.62 1.05 ++++++++++ ++ *+++++ peak 2499 Upper HA CYS 69 - HE3 TRP 72 3.94 17 0.67 1.48 ++ + +++++*++++++++ peak 123 Upper HA CYS 69 - HZ3 TRP 72 4.26 15 0.84 1.49 *+ + ++ + +++++++++ peak 213 Upper HA CYS 69 - QB LEU 73 4.77 15 0.59 1.37 ++ + ++ + *++++++++ peak 2556 Upper QB CYS 69 - QB LEU 73 4.06 10 0.19 0.65 ++ + +++*+ + + peak 2557 Upper H ARG 70 - HE3 TRP 72 4.59 8 0.17 0.99 + +++ *+ + + peak 136 Upper H ARG 70 - QB LEU 73 3.96 15 0.55 1.08 ++ + ++ + *++++++++ peak 990 Upper HA ARG 70 - H ARG 374 5.04 15 0.78 1.72 + + *+++ +++++++++ peak 314 Upper QB ARG 70 - QB LEU 73 4.04 15 0.36 0.90 + ++ ++ + *++++++++ peak 2573 Upper QB ARG 70 - H ARG 74 4.01 12 0.49 1.85 * ++++++ ++ + ++ peak 995 Upper QB ARG 70 - QQD LEU 84 4.55 18 1.25 2.04 ++++ ++++++++++++*+ peak 2573 Upper QG ARG 70 - QB LEU 73 5.03 11 0.19 0.63 + ++ *++++ +++ peak 1897 Upper HG2 ARG 70 - H ARG 74 4.94 20 1.00 2.14 ++++++++++++++++++*+ peak 3659 Upper QG ARG 70 - H ARG 74 4.23 20 1.04 1.81 +++++++++*++++++++++ peak 3659 Upper QG ARG 70 - QQD LEU 84 3.81 18 2.18 3.55 ++++ ++++++++++++*+ peak 2572 Upper HG3 ARG 70 - H ARG 74 4.94 20 1.06 2.04 +++++++++*++++++++++ peak 2604 Upper QD ARG 70 - QQD LEU 84 4.44 18 2.27 3.37 ++++ *+++++++++++++ peak 2567 Upper H GLN 71 - QB LEU 73 5.34 9 0.15 0.80 + + + *++ + + + peak 277 Upper H TRP 72 - HG LEU 73 5.50 11 0.21 0.57 + + ++ +* ++++ + peak 1935 Upper H TRP 72 - QD2 LEU 73 5.50 6 0.07 0.68 + + + * + + peak 1341 Upper H TRP 72 - QD1 LEU 373 5.50 14 0.56 1.73 + ++* + + + + ++++++ peak 283 Upper H TRP 72 - QD2 LEU 373 5.50 9 0.35 1.46 ++ * ++ ++ + + peak 1341 Upper H TRP 72 - QQG VAL 377 4.06 18 2.27 4.47 ++++++++* +++++++ ++ peak 8204 Upper HE3 TRP 72 - QQD LEU 387 4.17 16 0.73 2.52 + ++++ + *+++++++++ peak 8228 Upper HE1 TRP 72 - QQD LEU 373 4.98 17 0.81 2.75 +++++++ ++* +++++ ++ peak 262 Upper HE1 TRP 72 - QQD LEU 386 4.45 14 1.72 5.85 + + +++ + * +++++ ++ peak 259 Upper HZ2 TRP 72 - HG LEU 73 5.50 12 0.45 1.63 ++++* + ++ ++ + + peak 1935 Upper HZ2 TRP 72 - HA LEU 87 4.43 9 0.93 5.17 ++ *+ ++ ++ + peak 121 Upper HZ2 TRP 72 - HA GLU 367 4.79 16 3.41 5.68 ++ ++ +* + +++++++++ peak 138 Upper HZ2 TRP 72 - HA LEU 368 4.98 20 2.76 3.93 +++*++++++++++++++++ peak 139 Upper HZ2 TRP 72 - QB LEU 368 5.34 20 0.89 1.96 ++++*+++++++++++++++ peak 2524 Upper HZ2 TRP 72 - H CYS 369 4.90 15 0.55 1.30 ++ * ++ + +++++++++ peak 199 Upper HZ2 TRP 72 - H ARG 370 4.79 15 1.21 2.27 ++ + *+ + +++++++++ peak 195 Upper HZ2 TRP 72 - QQD LEU 386 4.04 19 1.64 4.22 +++ ++++++*+++++++++ peak 3078 Upper HH2 TRP 72 - HG LEU 87 5.16 9 0.27 1.35 + ++ * ++ +++ peak 203 Upper HH2 TRP 72 - HG LEU 387 5.50 6 0.27 1.67 * + ++ + + peak 203 Upper HH2 TRP 72 - QD2 LEU 387 4.81 6 0.22 1.69 + + +*+ + peak 204 Upper H LEU 73 - QQD LEU 73 3.84 8 0.06 0.21 + + + ++ + +* peak 755 Upper H LEU 73 - QD ARG 74 5.50 12 0.34 1.90 +++ + ++*+ ++++ peak 2669 Upper H LEU 73 - QD1 LEU 373 4.42 14 0.83 2.19 + ++* + + + + ++++++ peak 755 Upper H LEU 73 - QQD LEU 373 3.56 19 0.78 1.63 +++*+++++ ++++++++++ peak 106 Upper H LEU 73 - QD2 LEU 373 4.42 14 0.57 1.57 +++++++*+ ++ +++ peak 106 Upper H LEU 73 - QD ARG 374 5.50 13 1.42 3.37 ++ + ++ +++++* ++ peak 2669 Upper H LEU 73 - HD2 PRO 375 4.79 16 2.12 4.09 ++ + ++* + +++++++++ peak 2707 Upper H LEU 73 - HD3 PRO 375 5.05 15 1.91 3.13 ++ + +++ ++++*++++ peak 2703 Upper HA LEU 73 - QE MET 83 4.72 11 0.67 1.92 +++++ ++++* + peak 2648 Upper HA LEU 73 - H ARG 374 5.50 11 0.79 2.41 + ++ ++++*+ ++ peak 1855 Upper QB LEU 73 - QG MET 83 4.39 13 0.80 2.14 +++++ +*+++ +++ peak 1903 Upper HB2 LEU 73 - QE MET 83 5.50 9 0.32 1.27 ++++* ++ + + peak 1902 Upper HB2 LEU 73 - QB LEU 84 5.50 6 0.16 0.82 +++ + *+ peak 1902 Upper QB LEU 73 - HA ARG 370 5.34 7 0.27 2.10 ++ + +* + + peak 1904 Upper QB LEU 73 - HD3 PRO 375 4.52 12 0.56 2.14 + +++ + +++*+ ++ peak 2679 Upper HG LEU 73 - QE MET 83 4.70 10 0.55 2.06 + + ++* ++ ++ + peak 1912 Upper HG LEU 73 - QB LEU 84 5.28 6 0.27 1.41 + * + ++ + peak 1912 Upper HG LEU 73 - QQD LEU 387 3.10 15 0.48 1.91 +++++ + *+++++++ + peak 8229 Upper QQD LEU 73 - H MET 83 4.94 17 0.70 2.28 +++++ ++++*+++ ++++ peak 1072 Upper QQD LEU 73 - QB MET 83 4.09 17 0.68 1.35 +++++ ++* +++++++ ++ peak 2964 Upper QQD LEU 73 - QE MET 83 2.97 14 0.38 0.93 * ++++ + ++++ ++++ peak 1635 Upper QD1 LEU 73 - QE MET 83 3.74 14 0.73 1.63 ++++ + ++++ ++*++ peak 1635 Upper QD1 LEU 73 - H LEU 84 5.50 10 0.26 0.80 +++ + ++ *+++ peak 1081 Upper QQD LEU 73 - H LEU 87 5.44 8 0.27 1.03 ++ + +* + + + peak 1788 Upper QD1 LEU 73 - H TRP 372 5.50 13 0.47 1.39 ++ ++*+ + ++++ + + peak 283 Upper QQD LEU 73 - HE1 TRP 372 4.98 18 1.66 2.71 ++ +++*+++ +++++++++ peak 262 Upper QQD LEU 73 - HZ2 TRP 372 5.44 8 0.16 0.84 ++ ++ ++ * + peak 198 Upper QQD LEU 73 - H LEU 373 3.56 17 0.90 1.48 ++++++++ + ++++ +++* peak 106 Upper QD1 LEU 73 - H LEU 373 4.42 16 0.65 1.58 ++ ++*++ + ++++ ++++ peak 755 Upper QQD LEU 73 - QQG VAL 377 3.00 14 0.62 2.38 +++++ +*++ + ++++ peak 8196 Upper QQD LEU 73 - QQD LEU 386 3.88 8 0.26 1.14 + ++ ++*+ + peak 8187 Upper QQD LEU 73 - HG LEU 387 3.36 14 0.35 1.71 + ++ +++ * + ++++++ peak 8278 Upper QD2 LEU 73 - QE MET 83 3.74 7 0.19 1.27 + + + ++* + peak 2937 Upper QD2 LEU 73 - H TRP 372 5.50 17 0.89 1.39 +++++ +* + +++++++++ peak 1341 Upper QD2 LEU 73 - HE3 TRP 372 5.25 10 0.19 0.62 + ++ * + +++ ++ peak 211 Upper QD2 LEU 73 - H LEU 373 4.42 17 0.93 1.66 ++++* ++ + +++++++++ peak 106 Upper QD2 LEU 73 - QD2 LEU 387 3.78 7 0.29 1.38 + + + + + * + peak 1780 Upper H ARG 74 - HD2 PRO 75 3.52 17 0.74 1.19 ++ + ++++++++++*+++ peak 313 Upper H ARG 74 - QQG VAL 77 4.26 6 0.24 1.40 +++ + + * peak 1004 Upper H ARG 74 - HA ARG 370 5.04 18 1.29 2.69 +++++++++ ++++*++++ peak 314 Upper QB ARG 74 - HD3 PRO 75 3.67 19 0.52 0.79 ++*++++++++ ++++++++ peak 2677 Upper QB ARG 74 - H GLU 76 3.81 8 0.19 1.19 ++ *+ + ++ + peak 1012 Upper QG ARG 74 - H ARG 78 5.23 12 0.37 1.50 +++ + +++ +++*+ peak 2673 Upper QD ARG 74 - H ARG 78 5.50 12 0.36 1.46 +* + ++++++ + ++ peak 2669 Upper QD ARG 74 - H LEU 373 5.50 8 0.26 1.33 +++*+ +++ peak 2669 Upper HA PRO 75 - QE MET 83 4.08 8 0.31 1.37 + ++* + + + + peak 1643 Upper QB PRO 75 - QD LYS 80 3.93 8 0.25 1.54 + ++ + ++* + peak 2879 Upper QB PRO 75 - HE3 LYS 80 5.50 6 0.15 0.87 + ++ + + * peak 2873 Upper QB PRO 75 - QQD LEU 84 4.25 11 0.34 1.08 ++ +++ *+ +++ + peak 2697 Upper QG PRO 75 - QQG VAL 377 3.60 8 0.76 2.51 + +++ + + * + peak 1731 Upper HD2 PRO 75 - QQD LEU 84 3.58 20 1.78 3.35 +++++++++++*++++++++ peak 3006 Upper HD2 PRO 75 - H LEU 373 4.79 16 1.06 3.65 ++*++++ + + +++++ ++ peak 2707 Upper HD2 PRO 75 - H VAL 377 5.50 8 0.85 2.99 + +++ + + * + peak 304 Upper HD2 PRO 75 - QQG VAL 377 4.89 6 0.10 0.51 + + + * + + peak 1735 Upper HD3 PRO 75 - QQD LEU 84 3.08 19 1.19 2.94 ++ ++++++++*++++++++ peak 8315 Upper HD3 PRO 75 - H LEU 373 5.05 13 1.05 3.30 + + +*+ + +++++ ++ peak 2703 Upper HD3 PRO 75 - QB LEU 373 4.52 14 0.50 1.49 + +++++* ++ +++ ++ peak 2679 Upper H GLU 76 - QQD LEU 84 5.44 16 0.60 1.46 + ++++ * ++++++++++ peak 1008 Upper H GLU 76 - QG2 VAL 377 5.50 9 0.45 2.43 +++ + *++ + + peak 1741 Upper QG GLU 76 - QQG VAL 77 3.02 8 0.30 1.21 ++++ + + * + peak 2779 Upper H VAL 77 - QE MET 83 4.09 9 0.15 0.61 ++ + + +*+ ++ peak 1018 Upper H VAL 77 - HD2 PRO 375 5.50 13 0.79 2.98 + * + + +++++++ ++ peak 304 Upper HB VAL 77 - QE MET 83 4.11 10 0.34 1.62 + + + + *+++ ++ peak 2775 Upper QG1 VAL 77 - H SER 79 5.50 14 0.68 1.28 + + + + + + ++++++*+ peak 1036 Upper QQG VAL 77 - H TRP 372 4.06 20 2.08 3.87 +++++*++++++++++++++ peak 8204 Upper QQG VAL 77 - QQD LEU 373 3.00 17 1.00 2.30 +++ +++ ++* ++++++++ peak 8196 Upper QQG VAL 77 - H ARG 374 5.44 10 0.35 1.42 + + + +++*+ ++ peak 1739 Upper QQG VAL 77 - QG PRO 375 3.60 12 0.67 2.59 + + * +++++++ ++ peak 1731 Upper QG1 VAL 77 - H GLU 376 5.50 12 0.56 1.83 + ++ ++* + +++ ++ peak 2770 Upper QG2 VAL 77 - H GLU 376 5.50 15 0.92 2.07 + + + + ++*++++++ ++ peak 1741 Upper QB ARG 78 - QG MET 83 5.18 7 0.44 2.13 + ++ ++ * + peak 2823 Upper QB ARG 78 - QE MET 83 2.99 9 0.46 2.11 + ++ +++ * ++ peak 1645 Upper QD ARG 78 - QE MET 83 4.55 6 0.30 1.63 * + ++ + + peak 1642 Upper H SER 79 - H MET 83 5.50 15 0.37 1.40 ++ ++++++ + ++++*+ peak 349 Upper QB SER 79 - H GLU 81 3.75 19 0.36 0.89 ++++*++++ ++++++++++ peak 344 Upper QB SER 79 - QG GLU 81 5.18 12 0.17 0.79 * + + + +++++++ + peak 3034 Upper HA LYS 80 - QB MET 83 5.34 10 0.37 1.51 ++++*+ + + + + peak 2991 Upper HA LYS 80 - H LEU 84 5.50 16 0.59 1.13 +++ + + +++*+++++ ++ peak 2904 Upper QE LYS 80 - H GLN 82 5.34 11 0.19 0.74 + ++++ * + +++ + peak 1054 Upper HA GLU 81 - H GLU 85 4.90 7 0.14 0.85 + ++ * + + + peak 2916 Upper H GLN 82 - QG MET 83 5.34 10 0.32 0.79 + + ++++*+ ++ peak 2982 Upper HA GLN 82 - H GLU 85 3.73 16 0.46 2.27 + ++*++++ ++ ++++++ peak 385 Upper H MET 83 - QG MET 83 3.31 10 0.16 0.68 + + +*++++ ++ peak 1068 Upper HA MET 83 - QD2 LEU 86 4.59 14 0.67 1.36 ++ + ++ ++++++++* peak 2975 Upper QB MET 83 - QQD LEU 373 5.28 12 0.37 1.52 + + + ++ ++*++ ++ peak 2969 Upper QG MET 83 - QQD LEU 86 4.00 6 0.17 1.33 + ++ * ++ peak 3056 Upper HA LEU 84 - H VAL 88 5.50 20 0.87 2.04 ++++*+++++++++++++++ peak 3020 Upper QB LEU 84 - H VAL 88 5.50 19 0.72 2.00 ++++*++++++++++ ++++ peak 3015 Upper QB LEU 84 - HA ARG 366 4.22 20 2.85 4.83 ++++++++++++*+++++++ peak 8248 Upper QB LEU 84 - QB LEU 373 5.34 8 0.20 0.94 + + ++ *+ ++ peak 1902 Upper QB LEU 84 - HG LEU 373 5.15 8 0.35 1.29 + + +++ *++ peak 1912 Upper QB LEU 84 - QQD LEU 373 3.36 6 0.12 0.68 +++ + +* peak 1782 Upper QB LEU 84 - QD1 LEU 373 3.89 12 0.31 1.11 + * + ++ +++++ ++ peak 1921 Upper QB LEU 84 - QQD LEU 386 3.72 9 1.18 3.74 + +++ + *++ + peak 2998 Upper QB LEU 84 - QD2 LEU 387 4.44 7 0.27 1.61 + + * + +++ peak 3114 Upper HG LEU 84 - H GLU 85 4.14 6 0.29 1.66 * + + + + + peak 3021 Upper HG LEU 84 - QQD LEU 373 4.50 10 0.19 0.70 * +++ +++ + ++ peak 2993 Upper H GLU 85 - H LEU 87 4.54 6 0.10 0.61 + + + *+ + peak 357 Upper H LEU 86 - HG LEU 86 2.92 16 0.52 0.93 ++++ *++ + ++ ++++++ peak 1095 Upper H LEU 86 - QD2 LEU 86 3.73 9 0.12 0.37 + ++ +++* ++ peak 3077 Upper H LEU 86 - HB3 LEU 87 5.50 17 0.42 0.85 ++*+ ++++ +++++++ ++ peak 3103 Upper H LEU 86 - HG LEU 87 4.34 14 0.60 1.99 + ++ ++ + +++++++* peak 3099 Upper H LEU 86 - H VAL 88 5.50 7 0.14 0.92 + + + + * ++ peak 370 Upper HA LEU 86 - H LEU 89 4.40 20 1.10 1.91 ++++++++++++*+++++++ peak 3088 Upper HA LEU 86 - QB LEU 89 5.20 6 0.20 0.93 ++ + + * + peak 1886 Upper QQD LEU 86 - HE1 TRP 372 4.45 17 3.58 5.13 ++ *++++ + +++++++++ peak 259 Upper QQD LEU 86 - HZ2 TRP 372 4.04 20 2.66 3.73 +++*++++++++++++++++ peak 3078 Upper QQD LEU 86 - QQD LEU 373 3.88 15 0.83 1.96 + + + + +++ ++++*+++ peak 8187 Upper QQD LEU 86 - QB LEU 384 3.72 13 1.87 3.57 + + + + + + +++++ +* peak 2998 Upper H LEU 87 - H LEU 89 4.63 17 0.98 2.05 ++ +++++++ ++ +++++* peak 366 Upper H LEU 87 - QQD LEU 373 5.44 10 0.45 1.40 + + + + +++ + +* peak 1102 Upper H LEU 87 - QQG VAL 388 5.42 11 0.83 2.49 + + * + +++++ ++ peak 1107 Upper HA LEU 87 - QB LEU 387 4.50 9 0.37 1.53 + * + + ++ + ++ peak 838 Upper HA LEU 87 - QD2 LEU 387 4.60 6 0.23 1.52 ++ ++ *+ peak 349 Upper HB3 LEU 87 - H VAL 88 4.05 7 0.10 0.58 + ++ + * + + peak 1119 Upper HG LEU 87 - HH2 TRP 372 5.50 10 0.39 1.45 + + * + + +++ ++ peak 203 Upper HG LEU 87 - QQD LEU 373 3.36 14 0.54 1.77 + + + +++++++ *+++ peak 8278 Upper HG LEU 87 - H VAL 388 5.50 12 0.62 3.02 ++ * + + ++ +++ ++ peak 3102 Upper QQD LEU 87 - HE3 TRP 372 4.17 15 0.70 2.08 ++ *++ + +++++++++ peak 8228 Upper QQD LEU 87 - HZ2 TRP 372 3.92 9 0.40 1.47 + + ++++* ++ peak 8227 Upper QQD LEU 87 - HG LEU 373 3.10 13 0.57 1.77 +++ ++++ +++ *++ peak 8229 Upper QD1 LEU 87 - HA LEU 387 4.60 6 0.12 0.79 + + +++ * peak 348 Upper QD2 LEU 87 - QD1 LEU 373 3.78 7 0.28 1.36 + + * +++ + peak 8280 Upper QD2 LEU 87 - QD2 LEU 373 3.78 6 0.12 0.64 * + + + ++ peak 1780 Upper QD2 LEU 87 - QB LEU 384 4.44 9 0.20 0.94 + +++ * +++ + peak 3114 Upper QD2 LEU 87 - H VAL 388 5.50 11 0.49 1.57 + + ++* + +++ ++ peak 3093 Upper H VAL 88 - HG LEU 387 5.50 12 0.77 2.85 + +++ +++* + +++ peak 3102 Upper H VAL 88 - QQD LEU 387 4.83 9 0.28 1.09 ++ + + +++ + * peak 3098 Upper H VAL 88 - QD1 LEU 387 5.50 8 0.23 1.15 + + + +++ * + peak 3098 Upper H VAL 88 - QD2 LEU 387 5.50 9 0.48 1.72 + ++ + ++ + + * peak 3093 Upper H VAL 88 - QQG VAL 388 4.52 7 0.24 0.87 + + + + * ++ peak 1122 Upper H VAL 88 - QB LEU 389 5.34 8 0.31 1.59 + + +* + + ++ peak 1120 Upper H VAL 88 - H GLU 390 5.50 10 0.50 2.01 +* + ++ + + ++ + peak 405 Upper HA VAL 88 - H PHE 92 5.50 12 0.54 1.76 +++++ ++ + + *++ peak 3158 Upper HA VAL 88 - QE PHE 347 3.94 19 1.93 2.95 ++ ++++++*++++++++++ peak 95 Upper HA VAL 88 - QQD LEU 362 5.44 8 0.72 2.49 + + + ++* ++ peak 3141 Upper HA VAL 88 - QB ARG 366 5.47 10 0.53 2.61 * + + + ++ + +++ peak 3139 Upper HA VAL 88 - QG1 VAL 388 4.07 7 0.61 2.10 * + + + + ++ peak 635 Upper HA VAL 88 - QG2 VAL 388 4.07 15 1.06 2.17 + + ++++ + ++++++*+ peak 357 Upper QQG VAL 88 - QD PHE 92 4.33 12 0.41 1.66 + ++ + *+ + +++++ peak 150 Upper QQG VAL 88 - QB PRO 112 3.76 6 0.16 1.09 + ++ + *+ peak 3796 Upper QQG VAL 88 - QG PRO 112 3.60 8 0.37 1.68 + ++ ++ + + * peak 8232 Upper QQG VAL 88 - QE PHE 347 4.47 17 0.69 2.14 ++ +++ ++*++++++ +++ peak 2762 Upper QQG VAL 88 - H LEU 362 5.44 7 0.47 1.75 + + + * + ++ peak 886 Upper QQG VAL 88 - HA LEU 362 3.76 7 0.42 1.58 + + + + * ++ peak 8202 Upper QQG VAL 88 - QB LEU 362 4.18 9 0.58 2.09 + + + +++* ++ peak 8197 Upper QQG VAL 88 - QQD LEU 362 3.14 8 0.41 1.50 + * + +++ ++ peak 8300 Upper QQG VAL 88 - QB LEU 365 3.15 7 0.12 0.71 + +*+ +++ peak 3146 Upper QG1 VAL 88 - H ARG 366 3.88 7 0.20 0.85 + + *+ + + + peak 945 Upper QQG VAL 88 - HA ARG 366 4.06 6 0.24 1.22 + *+ + + + peak 2430 Upper QQG VAL 88 - QB ARG 366 3.04 9 0.39 1.44 * +++++ ++ + peak 3145 Upper QQG VAL 88 - QG ARG 366 3.48 8 0.36 2.04 + +* + + + ++ peak 3144 Upper QQG VAL 88 - QD ARG 366 3.93 7 0.28 1.19 + ++ * + + + peak 3150 Upper QQG VAL 88 - H LEU 387 5.42 7 0.43 2.02 ++ + * + + + peak 1107 Upper QQG VAL 88 - H GLN 391 3.95 12 1.09 3.48 + + ++* + ++++++ peak 1159 Upper QQG VAL 88 - H PHE 392 5.44 9 0.30 1.53 + + +++ + +* + peak 1169 Upper QQG VAL 88 - QD PHE 392 5.44 6 0.09 0.55 + + + *++ peak 2760 Upper QQG VAL 88 - QG PRO 412 3.39 12 0.62 1.96 + + + + + ++*++ ++ peak 3149 Upper QG2 VAL 88 - H ARG 366 3.88 13 0.85 2.04 + +++ +++++ * +++ peak 944 Upper QG2 VAL 88 - QB ARG 366 3.86 8 0.58 2.15 + ++ + *+ ++ peak 3145 Upper QG2 VAL 88 - HA VAL 388 4.07 7 0.34 1.64 + + ++* + + peak 357 Upper H LEU 89 - HG2 PRO 112 4.95 14 0.96 2.54 +*+++++ + + +++ ++ peak 3811 Upper H LEU 89 - HG3 PRO 112 4.95 9 0.43 1.61 ++ + +*+ + + + peak 3813 Upper H LEU 89 - QQD LEU 362 5.32 7 0.22 1.20 + + + +* ++ peak 2314 Upper H LEU 89 - HG LEU 389 5.50 6 0.19 1.14 + + + + + * peak 3187 Upper H LEU 89 - HB3 PHE 392 5.50 11 0.64 2.20 ++ * +++ + ++++ peak 473 Upper H LEU 89 - QD PHE 392 4.85 14 1.29 3.48 ++ * +++ ++++++++ peak 468 Upper H LEU 89 - HG2 PRO 412 5.43 13 0.77 2.34 +++ ++++ ++*+++ peak 3811 Upper H LEU 89 - HG3 PRO 412 5.43 8 0.28 1.36 + + + ++*+ + peak 3813 Upper HA LEU 89 - QQD LEU 362 5.38 6 0.15 1.01 ++ * + + + peak 3177 Upper HA LEU 89 - QB LEU 389 4.74 6 0.19 0.99 + + + * ++ peak 852 Upper HA LEU 89 - HG LEU 389 5.46 6 0.21 1.27 + ++ + * + peak 865 Upper HA LEU 89 - QD1 LEU 389 4.50 8 0.50 2.40 + + *++ ++ + peak 859 Upper HA LEU 89 - QQD LEU 389 3.81 7 0.28 1.54 + + + + * + + peak 856 Upper HA LEU 89 - QD2 LEU 389 4.50 10 0.37 2.64 + + + ++ *++ ++ peak 856 Upper HA LEU 89 - HB3 PHE 392 5.48 6 0.20 1.23 ++ + + *+ peak 3168 Upper HA LEU 89 - QD PHE 392 5.50 7 0.35 1.83 ++ + + + *+ peak 3192 Upper HA LEU 89 - QB PRO 412 4.19 9 0.39 1.30 + ++++ * ++ + peak 1519 Upper QB LEU 89 - HD2 PRO 112 5.34 7 0.34 1.86 ++ + + + + * peak 3774 Upper QB LEU 89 - HD3 PRO 112 4.62 6 0.18 1.13 ++ * + + + peak 3758 Upper QB LEU 89 - H VAL 388 5.34 7 0.30 2.72 *++ + + ++ peak 1120 Upper QB LEU 89 - HA PRO 412 5.22 8 0.35 1.69 + * + + ++ ++ peak 3741 Upper QB LEU 89 - QG PRO 412 4.22 11 0.54 2.01 ++ *+++ + ++++ peak 3787 Upper QB LEU 89 - QD PRO 412 4.53 9 0.32 1.50 + ++ + + *+ ++ peak 3774 Upper HB3 LEU 89 - HD3 PRO 112 5.50 6 0.38 1.82 ++ + + + * peak 3754 Upper HG LEU 89 - H LEU 389 5.50 7 0.29 1.75 + + + + *+ + peak 3187 Upper HG LEU 89 - QB LEU 389 3.97 6 0.14 1.20 +++ +* + peak 3170 Upper HG LEU 89 - HB2 LEU 389 4.61 8 0.30 1.20 + + ++ + ++ * peak 368 Upper HG LEU 89 - HB3 LEU 389 4.61 8 0.24 1.31 + + + ++ ++* peak 3170 Upper HG LEU 89 - H GLU 390 5.50 10 0.41 1.63 ++ +*+ + ++ + + peak 3186 Upper QD1 LEU 89 - HA LEU 389 4.50 6 0.29 1.82 * + + ++ + peak 859 Upper QQD LEU 89 - HB3 PHE 392 4.22 12 0.79 2.30 *+ + +++ + +++++ peak 3185 Upper QQD LEU 89 - QD PHE 392 4.15 10 0.69 2.21 ++ + +++ *+++ peak 3200 Upper QQD LEU 89 - H LEU 393 5.21 8 0.26 1.25 + + ++ ++*+ peak 3197 Upper QQD LEU 89 - H GLY 410 5.30 17 1.16 2.67 +++ +++ ++++++++* ++ peak 1258 Upper QQD LEU 89 - H SER 411 3.82 17 0.97 1.98 +++ +++ ++++++++* ++ peak 1264 Upper QD1 LEU 89 - H SER 411 4.59 16 1.10 3.58 ++ +++ ++++++++* ++ peak 1264 Upper QQD LEU 89 - HA PRO 412 3.37 11 0.28 1.10 ++ + * + + ++ + ++ peak 3744 Upper QD2 LEU 89 - HA LEU 389 4.50 6 0.14 0.72 ++ *+ ++ peak 856 Upper QD2 LEU 89 - H SER 411 4.59 16 0.79 1.99 ++ +++++ +++*+++++ peak 3199 Upper H GLU 90 - QQD LEU 365 4.34 8 0.25 1.01 + + *+ ++++ peak 1147 Upper H GLU 90 - QD1 LEU 365 5.50 6 0.26 1.41 + + ++ *+ peak 1147 Upper H GLU 90 - QD2 LEU 365 5.50 6 0.15 0.92 + + + +*+ peak 2406 Upper H GLU 90 - H VAL 388 5.50 15 1.16 3.24 + + +*+ + +++++++ ++ peak 405 Upper H GLU 90 - QB LEU 389 5.34 7 0.19 1.19 ++ + + * + + peak 1891 Upper H GLU 90 - HG LEU 389 5.50 14 0.64 2.08 ++++ +++ + +*++ ++ peak 3186 Upper QB GLU 90 - QE PHE 347 5.50 9 0.58 2.39 + + ++ ++*++ peak 3205 Upper H GLN 91 - HZ PHE 347 4.96 13 0.94 2.40 ++ + + ++*++++++ peak 1150 Upper H GLN 91 - QD1 LEU 365 5.46 6 0.19 0.93 + + +* + + peak 1154 Upper H GLN 91 - QQD LEU 365 4.47 7 0.20 0.84 + + *+ + ++ peak 1154 Upper H GLN 91 - QQG VAL 388 3.95 15 1.81 3.48 + + +++++ + +++* +++ peak 1159 Upper H GLN 91 - HA PHE 392 4.17 13 1.22 3.13 ++ + ++++ *+ ++ ++ peak 1151 Upper H GLN 91 - HB3 PHE 392 5.50 6 0.22 1.23 ++ + + + * peak 1158 Upper H GLN 91 - QD PHE 392 4.79 20 1.44 2.89 ++++++++++++++++++*+ peak 1149 Upper HA GLN 91 - HE22 GLN 91 5.50 6 0.09 0.43 *+ + + + + peak 1858 Upper HA GLN 91 - H ALA 95 5.50 8 0.36 2.19 ++ + + + + *+ peak 1860 Upper HA GLN 91 - HG2 GLN 391 5.50 10 0.47 2.08 * + + + + + ++ + + peak 1407 Upper HA GLN 91 - HG3 GLN 391 4.65 7 0.50 2.17 + + + ++ * + peak 379 Upper HA GLN 91 - HE21 GLN 391 5.50 9 0.26 1.06 + ++++ + + + * peak 1859 Upper HA GLN 91 - HE22 GLN 391 5.50 13 0.52 1.32 + +++++ +++ ++ * + peak 1858 Upper HA GLN 91 - H LEU 393 5.50 15 1.10 2.93 + ++++++ ++*++ +++ peak 1863 Upper HA GLN 91 - H GLY 394 5.50 11 0.49 1.75 + ++ ++*+++ ++ peak 1861 Upper HA GLN 91 - H ALA 395 4.98 18 1.86 3.96 ++++++ *+++++++++++ peak 449 Upper QB GLN 91 - QE PHE 347 4.45 12 0.52 1.77 ++ + *+ + ++ ++++ peak 314 Upper QB GLN 91 - HZ PHE 347 3.62 16 0.78 2.40 ++ +++*+ +++++ ++++ peak 288 Upper QG GLN 91 - HZ PHE 347 4.16 12 0.52 1.25 +*+ +++ +++ ++ + peak 295 Upper HG2 GLN 91 - QD1 LEU 365 5.50 8 0.24 1.16 + ++ ++*+ + peak 8284 Upper QG GLN 91 - QQD LEU 365 3.46 11 0.48 1.45 + + + ++++++ *+ peak 8294 Upper HG2 GLN 91 - QD2 LEU 365 5.50 7 0.13 0.72 + * + +++ + peak 3214 Upper QG GLN 91 - HA GLN 391 4.41 7 0.48 2.45 + + + * ++ + peak 379 Upper HG3 GLN 91 - QD1 LEU 365 5.50 6 0.29 1.63 + +*++ + peak 3215 Upper QE2 GLN 91 - HA ALA 95 5.31 6 0.33 1.97 ++ * + ++ peak 416 Upper QE2 GLN 91 - HA ARG 348 4.41 15 1.36 2.81 ++ + ++ * +++++++++ peak 414 Upper HE21 GLN 91 - QG ARG 348 5.50 11 0.28 0.78 +* + ++ + + ++ + + peak 1064 Upper HE21 GLN 91 - HA GLN 391 5.50 9 0.36 1.41 + + + + +* ++ + peak 1859 Upper QE2 GLN 91 - QB ALA 395 5.34 10 0.33 1.46 + * +++ ++ ++ + peak 1162 Upper HE22 GLN 91 - QG ARG 348 5.50 7 0.17 0.79 + + +*+ + + peak 1162 Upper HE22 GLN 91 - HA GLN 391 5.50 14 0.81 2.97 +++++++ + + +* ++ + peak 1858 Upper HE22 GLN 91 - HG2 GLN 391 5.50 7 0.24 1.00 * ++ + + + + peak 1161 Upper H PHE 92 - H ALA 95 5.50 6 0.16 1.11 ++ + + * + peak 426 Upper H PHE 92 - QB ALA 95 5.50 7 0.09 0.46 +* ++ ++ + peak 1728 Upper H PHE 92 - QE PHE 347 5.50 19 1.78 3.29 ++++++++ +++++++*+++ peak 425 Upper H PHE 92 - QQD LEU 362 5.44 8 0.27 0.98 ++ + +*++ + peak 1172 Upper H PHE 92 - QQG VAL 388 5.44 12 0.51 1.32 + + ++ + + ++ + +*+ peak 1169 Upper H PHE 92 - HA LEU 389 5.50 11 0.52 1.80 + ++ ++*+ +++ + peak 2935 Upper H PHE 92 - HA PHE 392 3.94 8 0.37 1.89 ++ * + + + ++ peak 427 Upper H PHE 92 - QD PHE 392 5.19 6 0.19 0.95 * + ++ + + peak 129 Upper H PHE 92 - H ALA 395 5.50 13 0.81 2.44 + ++++ ++++++ +* peak 426 Upper H PHE 92 - QB ALA 395 5.50 9 0.66 2.54 + *++ + ++ ++ peak 1728 Upper HA PHE 92 - H GLY 94 3.69 11 0.51 2.29 +*++++ ++ + + + peak 435 Upper HA PHE 92 - QQD LEU 365 3.82 7 0.24 1.55 + + ++*+ + peak 2394 Upper HA PHE 92 - H GLN 391 4.17 13 0.91 2.23 +*+++ + +++ ++ ++ peak 1151 Upper HA PHE 92 - H PHE 392 3.94 10 0.40 1.27 + ++ + +++ +* + peak 427 Upper HA PHE 92 - H LEU 393 4.26 10 0.46 1.51 + ++ + +++ *+ + peak 442 Upper HA PHE 92 - QB LEU 393 5.34 9 0.36 1.36 + ++ + *++ ++ peak 3277 Upper QB PHE 92 - QB ALA 95 5.34 7 0.13 0.69 + ++* ++ + peak 3235 Upper QB PHE 92 - H LEU 389 5.34 9 0.61 2.13 * ++ +++ ++ + peak 473 Upper QB PHE 92 - HA LEU 389 5.32 6 0.14 0.88 + +++ *+ peak 3168 Upper QB PHE 92 - QQD LEU 389 4.14 15 0.83 2.31 + +++++++*++++ ++ peak 3185 Upper QD PHE 92 - HG LEU 93 4.92 7 0.22 1.07 *++ + + + + peak 3284 Upper QD PHE 92 - HB2 PRO 112 5.12 9 0.22 0.79 ++ *++ +++ + peak 152 Upper QD PHE 92 - QB PRO 112 4.48 9 0.27 0.98 ++ *++ +++ + peak 144 Upper QD PHE 92 - HB3 PRO 112 5.12 7 0.34 1.31 *++ +++ + peak 144 Upper QD PHE 92 - QB ALA 115 3.29 8 0.57 2.10 ++ + * + ++ + peak 145 Upper QD PHE 92 - QB ALA 361 3.25 13 0.79 1.92 ++ + *+ + +++ ++ ++ peak 8145 Upper QD PHE 92 - QQD LEU 365 3.29 17 0.58 1.44 ++++++*++ ++ ++++++ peak 8289 Upper QD PHE 92 - H LEU 389 4.85 14 1.48 3.75 + ++++++*+ +++ ++ peak 468 Upper QD PHE 92 - HA LEU 389 5.50 9 0.35 1.41 + ++ +++ *+ + peak 3192 Upper QD PHE 92 - QQD LEU 389 4.15 15 0.99 2.94 + +++++++++*++ ++ peak 3200 Upper QD PHE 92 - H GLN 391 4.79 16 0.98 2.00 ++++++ +++++ ++++* peak 1149 Upper QD PHE 92 - HG LEU 393 5.30 9 0.28 1.37 + ++ + + +*+ + peak 3284 Upper QD PHE 92 - HA GLU 413 5.08 15 1.17 2.79 + +++ +++++*+++ ++ peak 107 Upper QE PHE 92 - QB ALA 95 5.28 10 0.40 1.69 ++ +++ * + ++ + peak 160 Upper QE PHE 92 - QQD LEU 96 3.87 10 0.25 1.17 +++* + + + + ++ peak 167 Upper QE PHE 92 - QD1 LEU 96 4.77 18 0.93 2.29 +++++*++++++++++++ peak 165 Upper QE PHE 92 - QQG VAL 104 5.50 6 0.11 0.82 + + + *+ + peak 3580 Upper QE PHE 92 - HA GLU 113 4.41 6 0.24 1.45 + +++ + * peak 112 Upper QE PHE 92 - HA PRO 358 4.74 13 0.54 1.86 +++++ + + + ++ ++ * peak 110 Upper QE PHE 92 - HB3 PRO 358 4.62 9 0.42 1.61 ++ + + + + + + * peak 159 Upper QE PHE 92 - H ALA 361 4.72 14 0.60 2.35 ++++ + ++++ + ++ +* peak 130 Upper QE PHE 92 - QB ALA 361 3.19 20 1.55 2.66 +++++++++++++++++++* peak 8146 Upper QE PHE 92 - HA LEU 393 4.56 6 0.15 0.68 +* + + + + peak 112 Upper QE PHE 92 - QB LEU 393 3.77 11 0.54 1.70 ++++++ +* ++ + peak 158 Upper QE PHE 92 - QQD LEU 393 3.35 8 0.20 1.20 ++ ++ + * + + peak 164 Upper QE PHE 92 - H GLY 394 5.42 6 0.47 2.22 +* + + ++ peak 130 Upper HZ PHE 92 - QD1 LEU 96 4.41 20 2.05 3.50 ++++++*+++++++++++++ peak 182 Upper HZ PHE 92 - QQD LEU 96 3.82 17 0.81 1.99 ++++++++++ *++++ ++ peak 183 Upper HZ PHE 92 - QD2 LEU 96 4.41 10 0.47 1.59 + ++ + *+ ++ ++ peak 183 Upper HZ PHE 92 - QB PRO 358 3.52 15 0.85 2.53 +++++++++ + + *+ ++ peak 170 Upper HZ PHE 92 - QG PRO 358 3.68 19 1.51 3.66 ++++++++++++++ *++++ peak 169 Upper HZ PHE 92 - HA GLN 359 4.55 9 0.28 2.10 + + + + + + *+ + peak 117 Upper HZ PHE 92 - QB LEU 393 4.08 15 1.31 3.39 ++++++ +*++++ +++ peak 171 Upper H LEU 93 - HA2 GLY 94 5.50 10 0.13 0.77 +* + +++ + + ++ peak 3305 Upper H LEU 93 - QB ALA 95 5.50 7 0.11 0.66 ++* + + ++ peak 1726 Upper H LEU 93 - QQD LEU 362 5.44 6 0.09 0.74 *+ ++ ++ peak 1173 Upper H LEU 93 - QQD LEU 389 5.21 15 0.78 1.80 + +++ *++++++++ ++ peak 3197 Upper H LEU 93 - HA GLN 391 5.50 9 0.46 2.20 +*++++ + + + peak 1863 Upper H LEU 93 - HA PHE 392 4.26 9 0.48 1.83 ++ + * + + + ++ peak 442 Upper H LEU 93 - H ALA 395 5.50 7 0.15 0.68 +* + + + + + peak 439 Upper H LEU 93 - QQD LEU 396 4.97 16 0.57 2.28 +++ ++++++*++++ ++ peak 3357 Upper HA LEU 93 - QD1 LEU 96 5.50 6 0.34 1.81 * + + ++ + peak 3261 Upper HA LEU 93 - QE2 GLN 105 5.34 14 0.83 2.99 +++++++++ + ++*+ peak 521 Upper HA LEU 93 - QE PHE 392 4.56 11 0.42 1.41 + +++ * ++++++ peak 112 Upper HA LEU 93 - HB2 LEU 393 4.33 6 0.41 1.99 + * ++ + + peak 388 Upper HA LEU 93 - HB3 LEU 393 4.33 8 0.49 1.44 ++++++ + * peak 871 Upper HA LEU 93 - QD2 LEU 393 4.57 7 0.45 1.86 +++++ * + peak 881 Upper HA LEU 93 - QB ALA 395 4.31 15 0.81 2.16 ++ * +++ +++++++++ peak 3274 Upper HA LEU 93 - HG LEU 396 4.62 15 0.93 2.38 ++ + ++++ +*+++ +++ peak 3330 Upper HA LEU 93 - QD1 LEU 396 5.50 7 0.38 1.77 + + *++ ++ peak 3261 Upper QB LEU 93 - HA PHE 392 5.34 8 0.41 1.77 ++ + * + + ++ peak 3277 Upper QB LEU 93 - QE PHE 392 3.77 17 0.94 2.04 + ++++++++++++++*+ peak 158 Upper QB LEU 93 - HZ PHE 392 4.08 20 1.82 2.92 +++++++++*++++++++++ peak 171 Upper HB2 LEU 93 - HA LEU 393 4.33 8 0.32 1.24 ++++ +++ * peak 388 Upper QB LEU 93 - QB ALA 395 4.30 19 1.25 2.65 ++++++++++++*+++ +++ peak 8171 Upper QB LEU 93 - QQD LEU 396 4.32 8 0.37 1.60 + + ++++ *+ peak 3320 Upper QB LEU 93 - QB ALA 415 3.75 16 1.41 3.10 + +++++++++*+++ ++ peak 1683 Upper HG LEU 93 - QB ALA 115 3.66 7 0.43 2.64 ++*++ + + peak 1684 Upper HG LEU 93 - QD PHE 392 5.30 9 0.53 2.05 +++ * + + + ++ peak 3284 Upper HG LEU 93 - HA LEU 393 4.57 6 0.34 1.63 * + + + ++ peak 874 Upper HG LEU 93 - QQD LEU 396 4.58 9 0.52 1.78 * ++ ++++ ++ peak 3265 Upper HG LEU 93 - QB ALA 415 4.07 15 1.33 2.88 + +++ +++++*+++ ++ peak 1684 Upper QQD LEU 93 - QE2 GLN 105 3.87 8 0.19 1.10 ++ +++ + + * peak 1224 Upper QD1 LEU 93 - HE21 GLN 105 5.50 11 0.36 1.50 + ++++ + ++ +* + peak 1224 Upper QD1 LEU 93 - HE22 GLN 105 5.50 7 0.24 1.79 + + + ++ +* peak 1230 Upper QQD LEU 93 - QG PRO 109 3.57 7 0.41 2.31 ++ +++ + * peak 3266 Upper QD1 LEU 93 - H GLY 110 5.50 16 0.91 2.29 ++++++ ++++ + +*+++ peak 1257 Upper QQD LEU 93 - H SER 111 3.96 20 1.43 2.21 ++*+++++++++++++++++ peak 1264 Upper QD1 LEU 93 - H SER 111 4.62 19 1.38 2.61 +*++++ +++++++++++++ peak 1265 Upper QQD LEU 93 - HA PRO 112 3.77 12 0.70 2.71 +*+++++ + +++ + peak 3279 Upper QQD LEU 93 - QG GLU 114 4.59 17 0.94 2.47 +*++ +++++++++ ++++ peak 3269 Upper QD1 LEU 93 - H ALA 115 5.17 6 0.26 1.25 ++ + * + + peak 3299 Upper QQD LEU 93 - H ALA 115 4.44 6 0.28 1.65 ++ + * + + peak 3293 Upper QQD LEU 93 - QE PHE 392 3.35 10 0.47 1.76 + + ++++ +* ++ peak 164 Upper QQD LEU 93 - QQD LEU 396 3.03 12 0.67 1.85 + + ++++++++ +* peak 3318 Upper QQD LEU 93 - QE2 GLN 401 5.27 6 0.13 0.96 * + ++ + + peak 3291 Upper QQD LEU 93 - QB ALA 415 3.45 10 0.53 1.63 + ++ *++++ ++ peak 3253 Upper QD2 LEU 93 - H GLY 110 5.50 16 1.06 2.16 +++ *++++ ++ ++++++ peak 1258 Upper QD2 LEU 93 - H SER 111 4.62 20 1.81 3.21 ++++*+++++++++++++++ peak 1264 Upper QD2 LEU 93 - H ALA 115 5.17 10 0.52 2.41 ++ + +*+ + ++ + peak 3293 Upper QD2 LEU 93 - QD PHE 392 5.20 7 0.25 1.24 ++ + + + *+ peak 3289 Upper QD2 LEU 93 - HA LEU 393 4.57 7 0.43 1.81 + + +++* + peak 881 Upper H GLY 94 - QE2 GLN 101 4.55 12 0.41 1.55 ++ + + ++ +++*++ peak 433 Upper H GLY 94 - QE PHE 392 5.42 13 0.81 2.30 + +++ +++++*++ + peak 130 Upper H GLY 94 - QD1 LEU 393 5.50 8 0.18 1.02 + * ++++ + + peak 3298 Upper H GLY 94 - QD2 LEU 393 5.50 6 0.17 0.94 ++*+++ peak 3292 Upper H GLY 94 - QB ALA 395 4.76 8 0.14 0.66 ++ +++ + + * peak 1725 Upper H GLY 94 - HA LEU 396 5.50 19 1.98 2.90 +++++++ ++++*+++++++ peak 3368 Upper H GLY 94 - QQD LEU 396 5.44 13 0.41 1.50 + +++ + + *++++ ++ peak 1181 Upper HA2 GLY 94 - H LEU 96 4.12 11 0.24 0.78 ++++ +* ++++ + peak 461 Upper HA2 GLY 94 - QE2 GLN 101 3.41 14 0.76 2.47 ++ + +* +++ ++++++ peak 455 Upper HA2 GLY 94 - H LEU 396 4.55 15 1.21 2.48 + +++ +++++++++ *+ peak 461 Upper HA2 GLY 94 - QB LEU 396 4.59 15 1.43 2.77 + +++ +++++++++ *+ peak 3340 Upper HA2 GLY 94 - HG LEU 396 4.91 15 2.56 3.94 + +++ *++++++++ ++ peak 3330 Upper HA3 GLY 94 - QE2 GLN 101 4.51 15 0.95 2.63 ++ + +* +++ +++++++ peak 3306 Upper HA3 GLY 94 - QB ALA 395 5.50 11 0.41 1.70 + +++ * + ++++ + peak 8167 Upper H ALA 95 - QD1 LEU 96 5.50 7 0.13 0.58 + + + + + * + peak 1113 Upper H ALA 95 - QE2 GLN 101 4.65 11 0.37 1.29 ++ + +++ +*+++ peak 447 Upper H ALA 95 - QB TYR 352 5.13 19 1.65 2.91 ++++++++ ++++*++++++ peak 1114 Upper H ALA 95 - HA GLN 391 4.98 14 0.96 2.94 ++++++ + ++ ++ +* + peak 449 Upper H ALA 95 - H PHE 392 5.50 9 0.44 1.99 + + ++ + ++ + * peak 426 Upper H ALA 95 - H LEU 393 5.50 7 0.24 1.12 + +* ++ ++ peak 439 Upper QB ALA 95 - HB3 PHE 350 5.50 13 0.54 1.58 +* + ++ ++++++ ++ peak 1714 Upper QB ALA 95 - QD PHE 350 3.02 15 1.52 3.19 ++ + ++ + ++*++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.34 13 1.28 3.73 ++ + + + ++*+++ ++ peak 8164 Upper QB ALA 95 - H TYR 352 4.61 14 0.61 1.77 ++ + ++ + ++*+++ ++ peak 1727 Upper QB ALA 95 - HA TYR 352 5.06 15 0.76 1.96 ++++ + ++++*+++ ++ peak 1717 Upper QB ALA 95 - QB TYR 352 3.70 12 0.38 1.32 ++++ + ++*++ ++ peak 1713 Upper QB ALA 95 - QD TYR 352 3.68 19 1.05 2.05 ++++++ ++++++*++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.34 20 2.03 2.98 +++++++++++++*++++++ peak 8176 Upper QB ALA 95 - QQD LEU 365 4.52 12 0.34 1.39 +++ + + ++*+ +++ peak 8169 Upper QB ALA 95 - H PHE 392 5.50 9 0.35 1.31 + ++ + +++ + * peak 1728 Upper QB ALA 95 - HA LEU 393 4.31 19 1.24 2.41 +++++++++*+++++++++ peak 3274 Upper QB ALA 95 - QB LEU 393 4.30 20 1.53 2.27 ++++++++++++++*+++++ peak 8171 Upper QB ALA 95 - H GLY 394 4.76 7 0.24 1.17 + * + + ++ + peak 1725 Upper QB ALA 95 - HA3 GLY 394 5.50 7 0.45 1.93 ++ + * ++ + peak 8167 Upper H LEU 96 - QD1 ILE 100 5.50 15 0.39 1.02 ++++ +++*+ ++ ++++ peak 3487 Upper H LEU 96 - HA GLN 101 4.86 19 1.41 2.87 ++ ++++*++++++++++++ peak 462 Upper H LEU 96 - QG GLN 101 4.24 7 0.15 1.29 ++ * + + ++ peak 1184 Upper H LEU 96 - QB PRO 358 5.34 8 0.28 1.55 + + ++++* + peak 1183 Upper H LEU 96 - HA2 GLY 394 4.55 7 0.69 3.17 ++ + * ++ + peak 461 Upper HA LEU 96 - H GLN 101 5.50 18 0.84 1.73 +++++++*++++++++++ peak 3367 Upper HA LEU 96 - QB TYR 352 4.90 8 0.13 0.55 +* + + + ++ + peak 3343 Upper HA LEU 96 - HA PRO 358 5.50 8 0.65 2.05 * + +++++ + peak 978 Upper HA LEU 96 - QB PRO 358 5.34 8 0.33 1.31 + + +*+++ + peak 3345 Upper HA LEU 96 - H GLY 394 5.50 20 1.71 3.15 +++++++++++++++++*++ peak 3368 Upper QB LEU 96 - HA GLN 101 4.43 13 0.34 1.41 ++++++* ++++ + + peak 3509 Upper QB LEU 96 - QG GLN 101 3.52 11 0.23 0.99 + +++ ++ *+++ + peak 4096 Upper QB LEU 96 - QD TYR 352 4.28 7 0.30 1.72 +* + + ++ + peak 249 Upper QB LEU 96 - HA2 GLY 394 4.59 11 0.69 2.51 ++++++ + + +* + peak 3340 Upper HG LEU 96 - QG1 VAL 119 3.82 12 0.44 1.60 ++*++ + ++ ++++ peak 3952 Upper HG LEU 96 - QQG VAL 119 3.20 15 0.48 1.37 ++++ +++++++ ++*+ peak 3952 Upper HG LEU 96 - QG2 VAL 119 3.82 11 0.73 2.57 ++ + ++ + *+ + + + peak 3956 Upper HG LEU 96 - HA LEU 393 4.62 15 1.11 2.93 +++*++++++++ ++ + peak 3330 Upper QQD LEU 96 - H ILE 100 4.34 6 0.14 0.69 ++ + *+ + peak 234 Upper QQD LEU 96 - HA VAL 104 5.44 11 0.20 0.71 +++ ++* +++ + + peak 3590 Upper QQD LEU 96 - H GLN 105 5.44 13 0.18 0.65 ++ ++ + ++ ++ * +++ peak 3359 Upper QQD LEU 96 - QB ALA 115 4.18 12 0.39 1.12 + ++++++ ++*+ + peak 1679 Upper QD1 LEU 96 - H VAL 119 5.50 6 0.19 0.89 + * + + + + peak 1314 Upper QQD LEU 96 - QB TYR 352 4.16 18 0.90 1.79 +++++ ++ ++++*++++++ peak 8179 Upper QD1 LEU 96 - QD TYR 352 4.32 14 0.89 2.60 ++ + +++++++++ *+ peak 251 Upper QQD LEU 96 - QD TYR 352 3.24 19 0.99 1.88 +++++ +++++++*++++++ peak 252 Upper QD1 LEU 96 - QE TYR 352 5.14 10 0.33 2.15 + +++ ++++ *+ peak 239 Upper QQD LEU 96 - QE TYR 352 3.75 15 0.55 1.48 + + + + +++++++++ *+ peak 240 Upper QQD LEU 96 - QD PRO 358 3.93 14 0.65 1.56 + +++ +++++*++ ++ peak 931 Upper QQD LEU 96 - H GLN 359 5.44 7 0.27 1.48 + + ++*++ peak 3352 Upper QQD LEU 96 - H LEU 393 4.97 12 0.42 2.31 +++*++ + +++ + + peak 3357 Upper QD1 LEU 96 - HA LEU 393 5.50 11 0.53 1.82 +++*++ + + + + + peak 3261 Upper QQD LEU 96 - QB LEU 393 4.32 7 0.37 1.99 +++*++ + peak 3320 Upper QQD LEU 96 - HG LEU 393 4.58 12 0.42 1.67 +++*+ ++ ++ + ++ peak 3265 Upper QQD LEU 96 - QQD LEU 393 3.03 10 0.50 2.49 +++*++ ++ + + peak 3318 Upper QD2 LEU 96 - H ILE 100 5.50 14 0.48 1.29 +*+++++ + + + + + ++ peak 284 Upper QD2 LEU 96 - HB ILE 100 4.57 15 0.56 1.74 ++ +++ ++++++ + + +* peak 3464 Upper QD2 LEU 96 - H GLN 101 5.08 6 0.21 1.03 ++ + * ++ peak 1141 Upper QD2 LEU 96 - HB2 GLN 101 5.50 6 0.27 1.32 ++ + * ++ peak 4060 Upper QD2 LEU 96 - HA VAL 119 5.50 7 0.29 1.78 +* + + ++ + peak 3948 Upper QD2 LEU 96 - QD TYR 352 4.32 13 0.60 1.72 +++ +*++ + +++ ++ peak 252 Upper QD2 LEU 96 - QE TYR 352 5.14 6 0.20 0.90 + + *+ ++ peak 240 Upper QG PRO 97 - QD TYR 352 3.81 15 1.00 2.33 ++++++ +*+++++++ peak 243 Upper QG PRO 97 - QE TYR 352 3.66 10 0.67 1.96 * + ++++++ ++ peak 231 Upper HG3 PRO 97 - QD1 ILE 100 3.55 8 0.18 0.90 + + + ++ * ++ peak 3405 Upper HD2 PRO 97 - H ILE 100 4.58 12 0.23 0.75 +++* +++++ + + + peak 240 Upper HD2 PRO 97 - HB ILE 100 5.42 11 0.28 0.97 + + ++*++ ++ + + peak 3459 Upper HD2 PRO 97 - QG2 ILE 100 5.03 10 0.26 0.88 + ++ ++ ++ +* + peak 1614 Upper HD2 PRO 97 - QB TYR 352 5.00 15 0.77 1.61 ++ + ++ + +++++++*+ peak 3382 Upper HD2 PRO 97 - QD TYR 352 3.70 14 0.69 1.66 ++ + + ++ +++++* ++ peak 241 Upper HD2 PRO 97 - QE TYR 352 4.22 10 0.25 0.66 + + +++++* ++ peak 228 Upper HD3 PRO 97 - H TYR 352 5.50 20 1.69 2.56 +++++++++++++++*++++ peak 789 Upper HD3 PRO 97 - QB TYR 352 4.82 9 0.38 1.32 + *+++++ ++ peak 2061 Upper HD3 PRO 97 - QD TYR 352 3.20 11 0.64 1.72 + + + +*++++ ++ peak 40 Upper HA PRO 98 - H ALA 102 3.47 7 0.13 0.76 *+ + + ++ + peak 484 Upper QB PRO 98 - QB ALA 102 4.12 7 0.18 1.18 *+ + ++++ peak 1796 Upper HA GLU 99 - H ALA 102 5.15 9 0.10 0.38 + *+ ++ ++ + + peak 2033 Upper QG GLU 99 - H ALA 102 5.50 6 0.11 0.78 + + + + *+ peak 2241 Upper HA ILE 100 - H ARG 103 3.61 7 0.13 0.43 +++ * ++ + peak 238 Upper HA ILE 100 - H VAL 104 4.37 17 0.41 1.06 + ++++++*+++++++ ++ peak 737 Upper QG2 ILE 100 - H LEU 122 5.50 6 0.14 0.91 ++ + + +* peak 1675 Upper QG2 ILE 100 - QE2 GLN 401 5.34 9 1.08 4.39 ++ +++ + + + * peak 1675 Upper QG1 ILE 100 - QE TYR 352 4.65 14 0.83 2.07 + +++ ++ +++++* ++ peak 234 Upper QG1 ILE 100 - QD PRO 358 5.18 15 1.24 3.16 + +++ ++++*++++ ++ peak 3481 Upper QD1 ILE 100 - HA VAL 119 5.00 8 0.24 1.19 + +++ +* + + peak 2730 Upper QD1 ILE 100 - QD ARG 123 4.06 6 0.08 0.64 *+ + ++ + peak 2729 Upper QD1 ILE 100 - QD TYR 352 4.11 18 1.09 2.42 + + ++++++++++++*+++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.47 16 0.65 1.93 + + +++ ++++++++* ++ peak 237 Upper QD1 ILE 100 - HG2 PRO 358 3.84 16 1.95 3.90 +++++ ++++*++++ ++ peak 8117 Upper QD1 ILE 100 - HG3 PRO 358 3.84 15 0.85 2.50 + +++ ++++*++++ ++ peak 8116 Upper QD1 ILE 100 - QD PRO 358 3.80 15 0.97 2.50 + +++ ++++*++++ ++ peak 2731 Upper HE21 GLN 101 - QB ALA 115 5.50 15 0.54 1.29 * +++++++++++ + ++ peak 1199 Upper QE2 GLN 101 - QG2 ILE 400 5.34 17 2.48 3.98 ++ +++ ++++*+++++++ peak 1675 Upper QE2 GLN 101 - QD1 ILE 400 5.34 15 0.76 2.16 * +++ +++++++++ ++ peak 1208 Upper HE22 GLN 101 - QB ALA 115 5.50 7 0.44 1.75 + * + ++ ++ peak 1207 Upper H ALA 102 - QQG VAL 104 4.03 9 0.20 0.83 +++ + * + + + + peak 1211 Upper HA ALA 102 - QB GLN 105 3.46 7 0.09 0.41 +++ + + *+ peak 1587 Upper HA ALA 102 - QE2 GLN 105 5.34 6 0.11 1.11 ++ + + * + peak 497 Upper HA ALA 102 - H GLY 106 5.42 11 0.17 0.55 +++ +++ + ++ +* peak 522 Upper H VAL 104 - HB2 LEU 118 5.50 13 0.43 2.07 + +++ ++*+++ ++ + peak 3907 Upper H VAL 104 - HB3 LEU 118 5.50 6 0.06 0.33 + + *+ + + peak 3909 Upper HA VAL 104 - QD2 LEU 118 4.71 10 0.12 0.46 +++ + * ++ +++ peak 3938 Upper QQG VAL 104 - QB ALA 115 3.39 9 0.20 0.97 * ++ +++ ++ + peak 1681 Upper QQG VAL 104 - H LEU 118 4.05 6 0.13 0.60 ++*+ ++ peak 1302 Upper H GLN 107 - H ARG 108 3.50 19 0.82 1.01 ++++++++++++++*++ ++ peak 491 Upper H GLN 107 - HD2 PRO 109 5.50 7 0.12 0.76 ++ *+ + + + peak 3707 Upper H GLN 107 - QD2 LEU 118 4.84 13 0.29 0.94 +++ +++++*+++ + peak 3915 Upper HB2 PRO 109 - HB2 SER 111 5.11 11 0.19 0.49 + + ++*+ + ++++ peak 3739 Upper HB2 PRO 109 - HB3 SER 111 5.50 14 0.36 0.87 ++++ ++*++++ ++ + peak 3740 Upper HB2 PRO 109 - H ALA 115 3.79 8 0.17 0.71 + + +++* ++ peak 1283 Upper HB3 PRO 109 - QB GLU 114 3.49 9 0.21 0.77 +*+++ +++ + peak 477 Upper HB3 PRO 109 - H ALA 115 3.67 14 0.33 0.88 + + ++++*++++++ + peak 3704 Upper H GLY 110 - H GLU 114 5.50 6 0.22 1.05 + + +*+ + peak 539 Upper H GLY 110 - HA GLU 114 5.50 14 0.66 1.60 +++++*+++ +++ + + peak 3875 Upper H GLY 110 - HG2 GLU 114 4.70 7 0.27 1.45 + ++ +*+ + peak 3871 Upper H GLY 110 - QQD LEU 389 5.30 10 0.52 1.79 ++ + ++ + + * ++ peak 1258 Upper H GLY 110 - H GLU 414 5.50 16 1.07 2.57 +++ +++++++++*+ ++ peak 539 Upper H GLY 110 - HA GLU 414 5.50 15 2.22 3.91 + +++ +*+++++++ ++ peak 3875 Upper HA3 GLY 110 - QB GLU 414 5.50 11 0.62 2.59 ++* +++++ ++ + peak 3712 Upper H SER 111 - H ALA 115 3.98 13 0.31 0.93 ++++ * ++++ +++ + peak 566 Upper H SER 111 - QD1 LEU 389 4.59 12 0.69 2.38 * +++ ++ + + + +++ peak 1264 Upper H SER 111 - QQD LEU 389 3.82 15 0.55 1.72 +++++ ++++ ++ + *++ peak 1264 Upper H SER 111 - QD2 LEU 389 4.59 9 0.58 2.38 + ++ + ++ * ++ peak 3199 Upper H SER 111 - HB2 SER 411 4.80 10 0.39 1.92 *+ +++++ ++ + peak 554 Upper H SER 111 - QB SER 411 4.11 11 0.48 1.71 *+ +++++ + ++ + peak 557 Upper H SER 111 - HB3 SER 411 4.80 10 0.50 1.58 *+ +++++ ++ + peak 557 Upper H SER 111 - H GLU 414 5.44 7 0.43 1.68 + ++++ *+ peak 563 Upper H SER 111 - HA GLU 414 4.10 16 2.71 4.10 +++++ +*+++++++ ++ peak 555 Upper HA SER 111 - H GLU 114 5.50 8 0.14 0.63 + * + ++ ++ + peak 572 Upper HA SER 111 - QB SER 411 3.46 12 1.00 2.65 ++ +++++ + +++* peak 3729 Upper HA SER 111 - HG2 PRO 412 5.50 12 1.07 2.63 +* +++++ + ++++ peak 3767 Upper HA SER 111 - HG3 PRO 412 5.50 11 0.81 2.95 ++ +++++ ++*+ peak 3766 Upper HA SER 111 - QD PRO 412 4.13 9 0.37 1.78 ++ + +++ ++* peak 3732 Upper HA SER 111 - H GLU 413 5.50 11 0.66 2.13 ++ ++*++ + ++ + peak 545 Upper HA SER 111 - H GLU 414 5.50 14 1.00 2.91 + +++++++++*+ ++ peak 572 Upper HB2 SER 111 - H SER 411 4.46 6 0.21 1.05 ++ + + + * peak 557 Upper HB3 SER 111 - H SER 411 4.80 10 0.35 1.09 ++ +*+ + +++ + peak 554 Upper HB3 SER 111 - HA SER 411 3.62 8 0.49 2.38 +* +++ + + + peak 3729 Upper HA PRO 112 - H GLU 114 5.32 7 0.16 0.74 + * ++ ++ + peak 3803 Upper HA PRO 112 - QG GLU 114 5.34 13 0.59 1.71 +++ ++ ++ ++ *++ + peak 3741 Upper HA PRO 112 - QQD LEU 389 3.37 13 0.49 1.15 ++++ ++ * +++ +++ peak 3744 Upper HA PRO 112 - HG2 PRO 412 4.78 12 0.93 2.51 ++ +++++ + +++* peak 1049 Upper HA PRO 112 - HG3 PRO 412 4.78 12 0.98 2.35 +* +++++ + ++++ peak 1052 Upper HA PRO 112 - HD2 PRO 412 4.94 12 0.81 2.57 ++ +++++ + +++* peak 1036 Upper HA PRO 112 - HD3 PRO 412 4.94 11 0.45 1.42 ++ +++++ + + +* peak 1035 Upper HA PRO 112 - H GLU 413 5.50 6 0.14 0.76 ++ + * + + peak 3809 Upper QB PRO 112 - H GLU 114 5.34 14 0.34 0.77 +++ + *++++ ++++ + peak 3807 Upper QB PRO 112 - HG LEU 362 5.34 6 0.14 0.97 +*++ + + peak 2282 Upper HB2 PRO 112 - QD1 LEU 362 4.17 6 0.10 0.50 *+ + + + + peak 8265 Upper QB PRO 112 - QG PRO 412 3.55 11 0.30 1.11 + +++ ++++ + +* peak 3797 Upper QB PRO 112 - QD PRO 412 4.61 10 0.23 0.65 +++ + *+++ ++ peak 3802 Upper HB3 PRO 112 - QD1 LEU 362 4.17 11 0.71 1.87 ++++++ ++ + *+ peak 2274 Upper HB3 PRO 112 - QD2 LEU 362 4.17 7 0.31 1.58 + + * ++ + + peak 8266 Upper QG PRO 112 - QQD LEU 362 3.76 10 0.26 0.81 *+++ + +++ ++ peak 8268 Upper QG PRO 112 - QQG VAL 388 3.39 6 0.15 0.87 * + + + ++ peak 3149 Upper HG2 PRO 112 - H LEU 389 5.43 6 0.24 1.50 +* ++ + + peak 3811 Upper HG2 PRO 112 - HA SER 411 5.50 9 0.86 2.51 ++ +++ +++ * peak 3767 Upper HG2 PRO 112 - HA PRO 412 4.78 8 0.43 1.73 ++ +*+ + + + peak 1049 Upper QG PRO 112 - QB PRO 412 3.55 6 0.17 0.78 +++ + + * peak 3797 Upper HG3 PRO 112 - QD1 LEU 362 5.50 9 0.40 1.40 *+++ + ++ + + peak 3748 Upper HG3 PRO 112 - QD2 LEU 362 5.50 6 0.13 1.01 + +++ * + peak 8268 Upper HG3 PRO 112 - HA SER 411 5.50 12 1.10 2.94 ++ +++ + *+++ ++ peak 3766 Upper HG3 PRO 112 - HA PRO 412 4.78 8 0.68 2.54 ++ +*+ + + + peak 1052 Upper HD2 PRO 112 - HA SER 411 4.21 9 0.70 2.08 ++ +++ +++ * peak 3732 Upper HD2 PRO 112 - HA PRO 412 4.94 8 0.26 1.11 ++ +++ + + * peak 1036 Upper HD3 PRO 112 - HA PRO 412 4.94 6 0.29 1.28 +*+ + + + peak 1035 Upper H GLU 113 - QB ALA 116 5.50 6 0.27 1.16 + *++ ++ peak 1663 Upper H GLU 113 - QD1 LEU 362 5.50 6 0.15 1.09 *+ ++ ++ peak 1274 Upper H GLU 113 - HA SER 411 5.50 8 0.31 1.32 ++ +++ *+ + peak 545 Upper H GLU 113 - QG GLU 413 4.92 8 0.32 1.61 ++ ++++ +* peak 1267 Upper H GLU 113 - H ALA 416 5.50 8 0.19 1.00 * ++ +++ + + peak 634 Upper H GLU 113 - QB ALA 416 5.50 8 0.23 1.07 + ++ *++ ++ peak 1663 Upper HA GLU 113 - H ALA 115 4.33 6 0.17 1.26 ++* + + + peak 567 Upper HA GLU 113 - QB ALA 116 3.80 6 0.20 0.96 * +++ ++ peak 1623 Upper HA GLU 113 - H ALA 117 4.25 18 1.40 2.60 +++++++++++*++++++ peak 575 Upper HA GLU 113 - QD PHE 392 5.08 7 0.48 2.36 ++ * + ++ + peak 107 Upper HA GLU 113 - H ALA 415 4.70 7 0.25 1.59 +* + + + + + peak 567 Upper QB GLU 113 - H ALA 117 5.34 17 0.66 1.72 + +++++++++*++++++ peak 1293 Upper QB GLU 113 - QQD LEU 362 3.98 10 0.40 1.85 *+++ ++ ++ + + peak 2274 Upper QB GLU 113 - H ALA 415 3.95 7 0.47 3.05 *+ + + + + + peak 1283 Upper QB GLU 113 - QB ALA 415 3.96 9 0.62 3.07 *+++ + + + + + peak 1683 Upper QG GLU 113 - HG LEU 362 5.18 10 0.60 2.71 *+++ ++ + +++ peak 3840 Upper QG GLU 113 - QB ALA 415 5.34 6 0.37 1.49 +* + + + + peak 3840 Upper H GLU 114 - QG GLU 114 3.31 6 0.14 0.66 ++ + *+ + peak 1276 Upper H GLU 114 - H GLY 410 5.50 8 0.37 2.05 *+ ++ + ++ + peak 539 Upper H GLU 114 - QB GLU 413 5.34 7 0.25 1.09 + +*++ ++ peak 3828 Upper H GLU 114 - QG GLU 413 5.34 8 0.56 1.96 ++ ++++ +* peak 3819 Upper HA GLU 114 - QQD LEU 118 4.75 6 0.15 0.88 +*+ ++ + peak 3882 Upper HA GLU 114 - H SER 411 4.10 13 1.06 4.01 ++++++ + + + +*++ peak 555 Upper QB GLU 114 - QB ALA 115 3.47 20 0.72 1.38 ++++++++++*+++++++++ peak 1685 Upper QB GLU 114 - H ALA 116 5.42 6 0.13 0.53 + + ++* + peak 3860 Upper QG GLU 114 - HA ALA 115 5.14 6 0.12 0.62 +*++ + + peak 3890 Upper QG GLU 114 - QQD LEU 118 3.45 13 0.66 1.88 ++++ + ++++*+ ++ peak 3879 Upper QG GLU 114 - HA GLU 414 4.83 9 0.57 2.32 + + ++++ *+ + peak 504 Upper H ALA 115 - HB2 LEU 118 5.50 9 0.15 0.89 ++ + ++ +* + + peak 3907 Upper H ALA 115 - QD1 LEU 118 5.13 8 0.30 1.29 + + + *+ + + + peak 3922 Upper H ALA 115 - HA GLU 413 4.70 15 0.59 1.48 +++++ ++++++ ++ *+ peak 567 Upper H ALA 115 - QB GLU 413 3.95 16 1.62 3.27 +++++ +++++++++ *+ peak 1283 Upper H ALA 115 - QB ALA 416 5.45 7 0.14 0.72 +* ++++ + peak 1285 Upper HA ALA 115 - H VAL 119 4.40 10 0.19 0.76 + *+++ + ++ ++ peak 584 Upper QB ALA 115 - H GLU 413 5.50 6 0.16 0.69 ++ + + * + peak 1692 Upper QB ALA 115 - QB GLU 413 3.96 17 1.73 3.93 ++++++ +++++++++ *+ peak 1683 Upper QB ALA 115 - QG GLU 413 5.34 15 0.91 2.53 + +++ +++++++++ *+ peak 3840 Upper QB ALA 115 - H GLU 414 5.50 8 0.24 1.30 + + ++ + *+ + peak 1689 Upper QB ALA 115 - H ALA 416 3.93 14 0.59 1.85 + +*+ ++++++++ ++ peak 1691 Upper H ALA 116 - QD1 LEU 362 4.97 10 0.29 1.25 ++ + + + + + ++* peak 2305 Upper H ALA 116 - QD2 LEU 362 4.97 8 0.27 1.54 + ++++ + + * peak 977 Upper H ALA 116 - H GLU 413 5.50 11 0.47 1.61 +++ +*++ + + ++ peak 634 Upper HA ALA 116 - QG1 VAL 119 4.25 13 0.64 1.62 + ++++++* +++ + + peak 3959 Upper HA ALA 116 - H ASP 120 5.06 15 0.70 1.45 + +++ +++*+++++ ++ peak 624 Upper HA ALA 116 - HB2 PRO 358 4.32 10 0.32 1.19 + *++ ++++ + + peak 2136 Upper HA ALA 116 - QB PRO 358 3.51 17 0.75 1.69 ++++*++++++++++ ++ peak 8252 Upper HA ALA 116 - HB3 PRO 358 4.32 18 1.05 2.05 +++++*++++++++++ ++ peak 8252 Upper HA ALA 116 - QG PRO 358 4.53 9 0.37 1.34 + *++ ++++ + peak 3890 Upper HA ALA 116 - QB GLN 359 5.50 15 0.76 2.01 + +*+ +++++++++ ++ peak 3889 Upper HA ALA 116 - QQD LEU 362 4.35 18 0.63 1.06 *++++++ +++++++++ ++ peak 3885 Upper HA ALA 116 - QD1 LEU 362 5.29 14 0.66 1.55 ++++ + *+ +++ ++++ peak 3885 Upper HA ALA 116 - QD2 LEU 362 5.29 14 0.71 2.52 + + ++ ++ ++++++ *+ peak 3886 Upper QB ALA 116 - H ALA 117 3.11 7 0.07 0.27 * + ++ ++ + peak 1294 Upper QB ALA 116 - HB2 PRO 358 4.18 7 0.20 0.91 ++++ + * + peak 2132 Upper QB ALA 116 - QB PRO 358 3.61 12 0.39 1.27 ++++++ ++ * + + + peak 8257 Upper QB ALA 116 - HB3 PRO 358 4.18 15 0.96 2.11 ++*++++++++ ++ + + peak 8257 Upper QB ALA 116 - QG PRO 358 4.36 6 0.15 0.70 + *+ + + + peak 1621 Upper QB ALA 116 - H GLN 359 3.58 13 0.46 1.37 ++++*++ + + ++ + + peak 8135 Upper QB ALA 116 - QB GLN 359 3.13 15 0.82 2.32 + *++ +++++++++ ++ peak 8137 Upper QB ALA 116 - HG2 GLN 359 4.09 9 0.44 1.86 + +++ +* ++ + peak 2206 Upper QB ALA 116 - QG GLN 359 3.50 9 0.39 1.45 + +++ +* + ++ peak 1622 Upper QB ALA 116 - HG3 GLN 359 4.09 9 0.33 1.21 + +++ +* + ++ peak 1622 Upper QB ALA 116 - H LEU 362 4.82 20 1.31 1.98 ++++++++++++*+++++++ peak 1661 Upper QB ALA 116 - QB LEU 362 3.61 17 1.20 2.51 +++++++ +++ ++++* ++ peak 8139 Upper QB ALA 116 - QQD LEU 362 2.86 16 0.43 0.94 +++ +++ * +++++++ ++ peak 1619 Upper QB ALA 116 - QD1 LEU 362 3.42 16 0.51 1.92 ++++ + *+++++ +++++ peak 1619 Upper QB ALA 116 - QD2 LEU 362 3.42 15 0.68 2.04 + +++++ +++++++ *+ peak 8208 Upper QB ALA 116 - H GLU 413 5.50 13 0.43 1.26 +*+ ++ ++++ + + ++ peak 1663 Upper QB ALA 116 - QG GLU 413 4.31 15 1.33 2.75 + +++ ++++*++++ ++ peak 3839 Upper H ALA 117 - QD1 LEU 118 5.50 8 0.13 0.51 ++ +*++ ++ peak 1297 Upper H ALA 117 - QQD LEU 362 5.04 18 0.96 1.75 +++++++ *++++++++ ++ peak 1299 Upper HA ALA 117 - H ASP 120 3.32 16 0.27 0.57 +*++++ +++++ +++++ peak 3905 Upper HA ALA 117 - HB2 ASP 120 3.58 12 0.37 1.12 ++ +++++++++ * peak 3900 Upper QB ALA 117 - HB2 ASP 120 4.40 14 0.36 1.26 + + + *++++++++++ peak 1490 Upper H LEU 118 - QD1 LEU 118 3.86 9 0.15 0.59 + + ++*+ ++ + peak 1305 Upper H LEU 118 - H VAL 119 2.86 7 0.06 0.16 * + + +++ + peak 531 Upper H LEU 118 - QG1 VAL 119 5.50 12 0.31 0.68 + +++++*+ ++ + + peak 8239 Upper HA LEU 118 - QD1 LEU 118 3.17 15 0.35 0.81 +++++++*+ ++ ++ + + peak 530 Upper H VAL 119 - QE2 GLN 359 4.55 16 1.82 3.29 + + +++ ++++++++* ++ peak 627 Upper HA VAL 119 - H LEU 122 4.67 6 0.07 0.31 ++ +++ * peak 616 Upper HA VAL 119 - QB LEU 122 5.14 10 0.32 1.29 +*++++++ ++ peak 1882 Upper HA VAL 119 - HG LEU 122 4.14 13 0.69 2.03 + ++ +++ +++++ *+ peak 4002 Upper HA VAL 119 - QQD LEU 122 3.39 8 0.18 1.30 + + ++ ++ *+ peak 4006 Upper HB VAL 119 - QE2 GLN 359 4.55 16 1.47 3.87 + + +++ +++++++++ +* peak 3966 Upper QG1 VAL 119 - H ASP 120 3.92 7 0.08 0.31 ++ + + *+ + peak 807 Upper QQG VAL 119 - QB ARG 123 5.44 7 0.10 0.61 * ++ + ++ + peak 3955 Upper QQG VAL 119 - QE TYR 352 3.60 20 1.95 2.72 +++++++++++*++++++++ peak 8189 Upper QG1 VAL 119 - HB2 PRO 358 4.66 14 1.08 2.60 + +++ +++++++++ * peak 2133 Upper QQG VAL 119 - QB PRO 358 3.55 12 0.47 1.34 + ++ ++++*+++ + peak 2140 Upper QG1 VAL 119 - HB3 PRO 358 4.66 12 0.57 1.68 + ++ ++++++++ * peak 2139 Upper QQG VAL 119 - QD PRO 358 3.74 15 1.31 2.59 + +++ ++++*++++ ++ peak 1760 Upper QQG VAL 119 - H GLN 359 5.44 14 0.56 1.81 + ++ +++++++++ +* peak 841 Upper QQG VAL 119 - QE2 GLN 359 3.99 14 0.59 1.54 + +++ +++ ++++* ++ peak 3972 Upper QG2 VAL 119 - HB2 PRO 358 4.66 12 0.42 1.58 + ++ ++++*++ ++ peak 2131 Upper QG2 VAL 119 - HB3 PRO 358 4.66 9 0.28 1.18 ++ + ++*++ + peak 2140 Upper H ASP 120 - QD ARG 123 5.50 7 0.12 0.66 + +++ + * + peak 4042 Upper H ASP 120 - QE2 GLN 359 5.18 18 1.88 3.06 +++++++ ++++++++* ++ peak 628 Upper H GLY 121 - QB LEU 122 5.04 11 0.17 0.66 ++ +++++ *+ ++ peak 1885 Upper H LEU 122 - HG LEU 122 3.42 7 0.13 0.48 ++ + + + * + peak 1324 Upper QD ARG 123 - QE TYR 352 5.50 15 1.81 3.09 + +++ ++++*++++ ++ peak 4040 Upper HA GLU 341 - HD1 TRP 372 4.56 14 0.27 0.70 ++ * + + +++++++++ peak 52 Upper QB ALA 343 - QB PHE 347 5.34 10 0.23 0.86 + *+++ ++ ++ + peak 3235 Upper QB ALA 343 - HB2 TRP 372 5.50 18 0.72 1.34 ++ * +++++++++++++++ peak 2635 Upper QB ALA 343 - HB3 TRP 372 4.15 18 0.85 1.54 ++ * +++++++++++++++ peak 2633 Upper QB ALA 343 - HD1 TRP 372 3.97 17 0.34 1.13 + ++++++*+++++++ + + peak 223 Upper QB ALA 343 - HE1 TRP 372 5.13 10 0.22 1.03 ++++ +*+ ++ + peak 258 Upper H ARG 344 - HD1 TRP 372 4.65 17 0.54 1.25 +++* +++++ ++++++++ peak 54 Upper HA ARG 344 - QE PHE 347 5.50 15 0.37 0.94 ++ + +++ + +++++++* peak 1843 Upper HA ARG 344 - H ARG 348 5.50 8 0.13 0.52 + ++++ + + * peak 745 Upper HA ARG 344 - HA LEU 368 5.50 15 0.47 1.33 ++ + +*++ ++++++ ++ peak 2488 Upper QB ARG 344 - HD1 TRP 372 4.06 16 0.53 1.47 ++++ + + ++++++*+++ peak 226 Upper QB ARG 344 - HE1 TRP 372 4.50 9 0.16 0.57 * + ++ + + +++ peak 261 Upper QG ARG 344 - QD PHE 347 3.75 9 0.22 0.97 + ++*+++ ++ peak 303 Upper QG ARG 344 - QE PHE 347 4.80 12 0.37 1.18 ++ + + ++*+++ ++ peak 319 Upper QD ARG 344 - QE PHE 347 3.94 16 0.83 1.95 ++ + +++ + ++++*++++ peak 312 Upper QD ARG 344 - HZ PHE 347 5.34 16 0.72 2.03 ++ + +++ + ++++*++++ peak 1832 Upper QD ARG 344 - HZ2 TRP 372 3.90 18 0.54 1.56 ++++ * +++++++++++++ peak 185 Upper HD2 ARG 344 - HZ2 TRP 372 4.69 15 0.41 1.24 ++ ++++* + + + +++++ peak 185 Upper HD3 ARG 344 - HZ2 TRP 372 4.69 14 0.38 1.70 ++ * ++++++++ +++ peak 186 Upper H PHE 347 - QG ARG 348 5.44 12 0.23 0.67 ++ ++ * ++++++ + peak 678 Upper H PHE 347 - QD2 LEU 368 4.73 10 0.18 0.76 ++ + ++ + *+ + + peak 2533 Upper HA PHE 347 - QQD LEU 368 3.83 9 0.27 1.12 + + *++ + + + + peak 1975 Upper HA PHE 347 - QD2 LEU 368 5.07 6 0.13 0.68 + +++ * + peak 2487 Upper HB3 PHE 347 - QD2 LEU 368 4.99 12 0.56 1.54 + + ++ + ++*++ ++ peak 2508 Upper QD PHE 347 - QQD LEU 365 3.66 16 0.54 1.35 + + ++++*++ ++++ +++ peak 2404 Upper QD PHE 347 - QB LEU 368 3.60 19 0.54 1.15 +++++*++++++ +++++++ peak 301 Upper QD PHE 347 - QD1 LEU 368 3.76 9 0.34 1.31 + +*+ + + + ++ peak 306 Upper QD PHE 347 - QD2 LEU 368 3.76 16 0.72 1.39 ++++ +++++ ++*++ ++ peak 305 Upper QD PHE 347 - H CYS 369 4.09 20 1.69 3.09 +++++++++*++++++++++ peak 96 Upper QD PHE 347 - QB CYS 369 5.34 20 1.49 3.05 +++++++++*++++++++++ peak 2547 Upper QE PHE 347 - QB LEU 365 3.97 8 0.66 2.05 * + + +++ ++ peak 315 Upper QE PHE 347 - HG LEU 365 3.76 15 0.86 2.56 ++ + ++++ ++++++*+ peak 317 Upper QE PHE 347 - QB LEU 368 4.73 13 0.28 0.79 + + ++++*+ +++ ++ peak 2520 Upper QE PHE 347 - HB3 LEU 368 5.50 20 0.95 1.71 ++++++++*+++++++++++ peak 2524 Upper QE PHE 347 - HG LEU 368 5.50 11 0.27 1.56 + +* ++ +++ +++ peak 2527 Upper QE PHE 347 - QB GLU 390 5.50 9 0.76 2.70 + + + + + + * ++ peak 3205 Upper QE PHE 347 - QB GLN 391 4.22 13 1.48 3.79 + + ++ + *+++ ++++ peak 314 Upper HZ PHE 347 - QQD LEU 365 3.91 6 0.11 0.77 + *+ ++ + peak 292 Upper HZ PHE 347 - H GLN 391 4.79 14 1.46 3.65 + + ++ + +++++*+++ peak 1150 Upper QG ARG 348 - HB3 PHE 350 5.50 16 0.35 0.83 ++++ ++ + ++*++++++ peak 2012 Upper HA PHE 350 - HB2 HIS 351 5.50 7 0.09 0.18 + ++ * + + + peak 2041 Upper HB2 PHE 350 - QQD LEU 365 4.77 20 0.70 1.38 ++++++++++++*+++++++ peak 2370 Upper HB3 PHE 350 - QQD LEU 365 5.15 7 0.18 1.09 + + *++ ++ peak 2014 Upper QD PHE 350 - H GLN 364 4.61 17 0.99 2.19 ++++ ++++ ++++*++++ peak 80 Upper QD PHE 350 - QQD LEU 365 3.31 20 1.47 2.38 +++++++++++++*++++++ peak 281 Upper QE PHE 350 - QB TYR 352 4.05 7 0.18 0.67 + + *+++ + peak 262 Upper QE PHE 350 - QQD LEU 365 4.10 20 1.19 1.95 +++++++++++++*++++++ peak 272 Upper QE PHE 350 - QB ALA 395 4.52 13 1.20 3.27 ++ + ++ + + ++ *+++ peak 267 Upper HB2 HIS 351 - QG GLU 353 4.84 7 0.11 0.58 * + + ++++ peak 2048 Upper HB3 HIS 351 - QG GLU 353 5.41 6 0.11 0.50 * + ++++ peak 2043 Upper HD2 HIS 351 - H TYR 352 5.50 9 0.09 0.22 ++ ++*++ + + peak 152 Upper HA TYR 352 - HA PRO 358 5.50 7 0.18 0.84 + + +*+ + + peak 978 Upper QD TYR 352 - QG GLU 354 4.66 9 0.15 0.56 ++++ * +++ + peak 2191 Upper QD TYR 352 - HA PRO 358 3.87 7 0.19 1.26 * ++++ ++ peak 42 Upper QE TYR 352 - QG GLU 354 3.53 8 0.14 0.90 + + + +++ * + peak 231 Upper QE TYR 352 - HA PRO 358 3.34 14 0.87 2.10 +++ ++ +++++++*+ peak 46 Upper QE TYR 352 - QB PRO 358 3.74 15 0.52 1.48 + + ++++ +++++++*+ peak 230 Upper QE TYR 352 - HD2 PRO 358 3.48 18 0.97 2.23 ++ + +++++++*+++++++ peak 48 Upper QE TYR 352 - QD PRO 358 2.96 11 0.37 1.07 + + ++ +*+++ ++ peak 49 Upper QE TYR 352 - HD3 PRO 358 3.48 9 0.15 0.64 + + +*+++ ++ peak 49 Upper H GLU 353 - HA3 GLY 357 5.50 14 0.32 1.36 + + *+++ +++++ +++ peak 2129 Upper QG GLU 353 - H GLY 357 4.13 16 0.47 0.94 *+++ + +++++ ++ ++++ peak 823 Upper QB ALA 355 - HB THR 356 3.91 9 0.19 0.62 ++++ +* + + + peak 8150 Upper HA THR 356 - HB3 GLU 360 5.50 13 0.53 1.65 + +++ +++ *+ ++++ peak 2109 Upper HB THR 356 - HG3 GLU 360 4.34 10 0.35 1.16 + + + +++ ++*+ peak 2105 Upper QG2 THR 356 - HE21 GLN 364 5.07 9 0.15 0.66 ++ + + + + + + * peak 919 Upper QG2 THR 356 - HE22 GLN 364 4.38 20 0.92 1.61 +++++++++++++++++*++ peak 1770 Upper QG2 THR 356 - HD3 PRO 397 5.50 19 1.89 4.65 *+++++++ +++++++++++ peak 1764 Upper H GLY 357 - HB3 GLU 360 5.50 11 0.30 1.30 ++++++ + *+ ++ peak 822 Upper HA3 GLY 357 - H GLN 359 5.50 8 0.27 0.87 ++ + + + * ++ peak 2129 Upper HA3 GLY 357 - QE2 GLN 359 4.88 17 0.75 1.74 ++*++++++ ++++++ ++ peak 845 Upper HA PRO 358 - H ALA 361 4.38 8 0.22 0.79 *+++ + + + + peak 872 Upper QB PRO 358 - QQD LEU 393 4.30 15 0.97 2.40 +++*++ + +++++ +++ peak 3269 Upper QD PRO 358 - H GLN 359 3.92 8 0.23 0.87 ++ + + + * ++ peak 834 Upper HD2 PRO 358 - H GLN 359 4.49 7 0.20 0.87 ++ + + + * + peak 832 Upper QD PRO 358 - QQD LEU 393 4.37 20 2.81 4.62 +*++++++++++++++++++ peak 3288 Upper QD PRO 358 - QB LEU 396 4.10 16 1.35 3.54 ++++++++ ++++++ *+ peak 8242 Upper HD3 PRO 358 - H GLN 359 4.49 9 0.27 0.89 ++ + + + * +++ peak 834 Upper H GLN 359 - QB GLN 359 2.96 8 0.11 0.50 + ++ + + * + + peak 837 Upper H GLN 359 - QB ALA 361 5.13 14 0.38 1.30 ++++ ++++ ++* + ++ peak 1672 Upper H GLN 359 - H LEU 393 5.50 19 2.27 3.90 ++++++++ +++++++*+++ peak 161 Upper H GLN 359 - QB LEU 396 5.34 13 0.83 2.40 ++ + +* + +++++++ peak 3365 Upper H GLN 359 - QE2 GLN 401 5.34 18 1.67 3.29 ++ +++++ ++++++++*++ peak 482 Upper H GLN 359 - QB ALA 415 4.91 20 1.64 3.16 +++++++++++++++++*++ peak 839 Upper HA GLN 359 - QG GLN 359 3.18 6 0.09 0.39 ++ + + *+ peak 2203 Upper HA GLN 359 - HG3 GLN 359 3.79 7 0.13 0.46 + ++ + * ++ peak 2203 Upper HA GLN 359 - HG LEU 362 4.48 9 0.27 0.97 + *+ + ++ +++ peak 2291 Upper HA GLN 359 - QD2 LEU 362 4.63 8 0.12 0.39 + ++ + *+ + + peak 2289 Upper QB GLN 359 - H GLU 360 3.10 13 0.35 0.85 ++ + ++ + +++ + +*+ peak 861 Upper QB GLN 359 - H ALA 361 4.28 13 0.48 1.27 ++ + ++ + *++ + +++ peak 891 Upper QB GLN 359 - H LEU 362 4.78 7 0.20 0.93 + + * + + ++ peak 881 Upper QB GLN 359 - QD PHE 392 4.86 19 1.08 2.56 ++++++++ ++*++++++++ peak 152 Upper QB GLN 359 - QE PHE 392 5.25 6 0.09 0.62 ++ +*+ + peak 159 Upper HG2 GLN 359 - H GLU 360 4.91 10 0.38 1.01 ++++ + ++* + + peak 2224 Upper HG3 GLN 359 - H GLU 360 4.91 13 0.16 0.46 ++ + +++* +++ + ++ peak 2220 Upper QE2 GLN 359 - QB LEU 396 4.03 13 1.03 3.14 +* + ++ + +++++++ peak 849 Upper QE2 GLN 359 - HA GLN 401 5.34 13 1.34 4.84 *+++++++ + + + ++ peak 3521 Upper QE2 GLN 359 - QQG VAL 404 5.13 7 0.43 1.91 ++ +++ + * peak 3579 Upper H GLU 360 - QQD LEU 396 5.44 13 0.74 2.41 ++ +++++ + + ++* + peak 3359 Upper H GLU 360 - HD3 PRO 397 5.50 18 2.38 5.90 ++ ++++*++ +++++++++ peak 859 Upper HA GLU 360 - H GLN 364 5.50 17 0.61 1.52 +++++++ +*+ ++++ +++ peak 2247 Upper HB3 GLU 360 - HE21 GLN 364 4.27 11 0.27 0.80 * ++ +++ +++ + + peak 916 Upper H ALA 361 - QQD LEU 362 4.36 16 0.59 1.17 + + ++ +++++++++ ++* peak 8217 Upper H ALA 361 - QE PHE 392 5.50 9 0.55 2.03 ++++ +* ++ + peak 869 Upper HA ALA 361 - QB GLN 364 3.71 9 0.31 1.27 ++ + * ++ ++ + peak 2332 Upper QB ALA 361 - HG LEU 362 4.95 11 0.50 1.41 + + ++ ++*++ + + peak 2282 Upper QB ALA 361 - QQD LEU 362 3.61 18 0.67 1.11 ++++++ *++++++++ +++ peak 8209 Upper QB ALA 361 - H PHE 392 4.29 19 1.64 3.49 ++++++++ ++*++++++++ peak 1166 Upper H LEU 362 - HG LEU 362 3.15 12 0.72 1.54 + ++* +++++ +++ peak 884 Upper H LEU 362 - HG LEU 365 5.50 10 0.50 1.53 + + + ++ +++ *+ peak 2392 Upper H LEU 362 - QQG VAL 388 5.14 10 0.61 2.15 + ++ +++++ + * peak 886 Upper H LEU 362 - HA PHE 392 4.20 14 1.39 2.97 +* + ++ + ++++ ++++ peak 877 Upper HA LEU 362 - QQG VAL 388 3.60 9 0.44 1.73 + ++ +++++ * peak 8202 Upper HA LEU 362 - H GLU 390 4.88 20 2.07 3.86 +++++++++++*++++++++ peak 411 Upper HA LEU 362 - HG3 GLN 391 5.50 15 2.20 4.23 ++ + ++ + +++*+++++ peak 3222 Upper HA LEU 362 - H PHE 392 4.33 19 2.16 3.43 +++++++* +++++++++++ peak 428 Upper QB LEU 362 - QQG VAL 388 4.03 10 0.49 1.89 + ++ + +++ + + * peak 8197 Upper QQD LEU 362 - H LEU 365 5.44 6 0.09 0.49 ++ *+ ++ peak 2315 Upper QQD LEU 362 - HG LEU 365 4.71 11 0.42 1.45 + *+ + ++ +++ ++ peak 2375 Upper QQD LEU 362 - H ARG 366 4.96 16 0.54 1.66 +++ +++ +++++ +++ +* peak 948 Upper QQD LEU 362 - H VAL 388 5.08 13 0.90 2.60 +++++++ +++ + * + peak 1124 Upper QQD LEU 362 - H LEU 389 4.85 11 0.33 1.15 ++ ++ + +++ *+ + peak 2314 Upper QQD LEU 362 - H GLU 390 5.44 9 0.31 1.27 + + * + + ++ ++ peak 2311 Upper QQD LEU 362 - H GLN 391 5.10 15 1.10 2.46 ++ + +* + +++++++++ peak 2312 Upper QD1 LEU 362 - HB3 PHE 392 5.50 7 0.26 1.18 * + + + + ++ peak 2277 Upper QQD LEU 362 - QG PRO 412 4.07 8 0.29 1.18 + +++ + * ++ peak 3747 Upper QD1 LEU 362 - HG2 PRO 412 5.50 6 0.28 1.39 + *++ + + peak 3750 Upper QD1 LEU 362 - HG3 PRO 412 5.50 9 0.47 1.76 + *++ + + + + + peak 3748 Upper QD2 LEU 362 - HG2 PRO 412 5.50 6 0.19 0.85 + + + * + + peak 3749 Upper QD2 LEU 362 - HG3 PRO 412 5.50 12 0.44 1.53 + +++ +++ ++++ * peak 3747 Upper H GLN 364 - HE22 GLN 364 5.50 6 0.10 0.85 + + + *+ + peak 388 Upper H GLN 364 - HB3 LEU 365 5.50 6 0.11 0.44 * ++ + + + peak 2390 Upper H GLN 364 - HG LEU 365 5.50 6 0.34 1.53 + + + * ++ peak 2392 Upper HA GLN 364 - HG3 GLN 364 3.98 6 0.07 0.24 + + ++ + * peak 1339 Upper HA GLN 364 - HE22 GLN 364 5.50 11 0.25 0.84 +++ ++ + ++ +* + peak 394 Upper QB GLN 364 - H LEU 365 3.43 11 0.21 0.56 ++ ++ +++ +++ * peak 2348 Upper HB3 GLN 364 - H LEU 365 4.30 12 0.18 0.36 ++ ++ *+++ +++ + peak 2348 Upper H LEU 365 - HG LEU 365 3.51 10 0.39 1.16 + + ++ *++ ++ + peak 935 Upper H LEU 365 - QG GLU 367 5.34 6 0.24 1.44 + +++ * + peak 2478 Upper QB LEU 365 - H GLU 390 5.28 11 0.88 2.70 + + + + *+++ +++ peak 1146 Upper QQD LEU 365 - QG ARG 366 4.27 8 0.30 1.50 * ++ +++ + + peak 8283 Upper QQD LEU 365 - H GLU 390 4.33 7 0.22 1.05 + + * + + ++ peak 1147 Upper QQD LEU 365 - H GLN 391 4.28 8 0.24 0.86 + + + + + *++ peak 1154 Upper QQD LEU 365 - HA GLN 391 4.54 14 0.93 2.37 ++ + ++ + ++++ *+++ peak 3219 Upper QD1 LEU 365 - QB GLN 391 5.50 6 0.29 1.42 * + + + ++ peak 3218 Upper QD1 LEU 365 - HG2 GLN 391 5.50 10 0.34 1.76 + + * + ++ + ++ + peak 3215 Upper QQD LEU 365 - HG2 GLN 391 4.34 9 0.42 1.27 + + + + + + *+ + peak 3216 Upper QQD LEU 365 - HG3 GLN 391 3.57 12 0.78 1.97 + + ++ + *+++ ++ + peak 8296 Upper QD1 LEU 365 - H PHE 392 5.50 6 0.28 1.51 + + *++ + peak 2401 Upper QQD LEU 365 - HA PHE 392 3.60 12 0.51 1.95 ++ + ++ +++ *+++ peak 2394 Upper QD1 LEU 365 - QD PHE 392 4.14 16 0.87 2.83 ++ + +++++++*+ ++++ peak 2395 Upper QQD LEU 365 - QD PHE 392 3.50 14 0.52 1.69 ++ + ++++ +*+ ++++ peak 2395 Upper QD2 LEU 365 - H GLN 391 5.20 6 0.23 1.28 + * + + ++ peak 1153 Upper QD2 LEU 365 - QB GLN 391 5.50 6 0.18 1.45 + + + + + * peak 3217 Upper QD2 LEU 365 - HG2 GLN 391 5.50 8 0.20 1.25 ++ + + + + + * peak 3216 Upper QD2 LEU 365 - QD PHE 392 4.14 11 0.63 1.96 + + +++ +++ +*+ peak 2402 Upper QB ARG 366 - HA VAL 388 5.26 8 0.51 2.45 + + * +++ ++ peak 3139 Upper H GLU 367 - HG LEU 368 5.50 13 0.57 1.38 ++ +* +++++ + +++ peak 2527 Upper H GLU 367 - QQD LEU 368 4.52 9 0.27 1.32 *+ +++ +++ + peak 956 Upper H GLU 367 - HD2 ARG 370 5.50 16 0.76 2.21 +++++++++++*+ ++ + peak 2601 Upper H GLU 367 - HD3 ARG 370 5.50 18 0.86 2.05 +*++++++++++++ ++++ peak 2602 Upper QB GLU 367 - QD1 LEU 368 5.12 6 0.06 0.33 + + + + + * peak 2464 Upper QQD LEU 368 - H CYS 369 3.64 17 0.29 0.62 +*+++ +++++ +++++ ++ peak 2535 Upper QD1 LEU 368 - H CYS 369 4.56 13 0.29 0.83 ++*+ ++++ + ++ ++ peak 2515 Upper QQD LEU 368 - QB CYS 369 4.63 18 0.64 0.92 +*+++ +++++++++++ ++ peak 2499 Upper HA CYS 369 - HD1 TRP 372 5.32 11 0.42 1.52 ++ *+ + ++++ ++ peak 2537 Upper HA CYS 369 - HE3 TRP 372 3.94 8 0.26 1.72 ++++ ++ * + peak 123 Upper QB CYS 369 - HE1 TRP 372 5.34 13 0.38 1.34 ++ *+ + ++++ ++++ peak 253 Upper QB CYS 369 - QB LEU 373 4.06 7 0.17 0.89 +++ +* + + peak 2557 Upper H ARG 370 - HE3 TRP 372 4.59 11 0.35 1.82 +++ *+ ++ ++++ peak 136 Upper H ARG 370 - QB LEU 373 3.96 10 0.37 1.33 +++ +++ * ++ + peak 990 Upper QB ARG 370 - QB LEU 373 4.04 13 0.51 1.47 +++ + + + + ++* + ++ peak 2573 Upper QB ARG 370 - H ARG 374 4.01 13 0.70 2.56 ++*++ +++++ ++ + peak 995 Upper QB ARG 370 - QQD LEU 384 4.55 10 0.64 1.93 ++ ++ ++*++ + peak 2573 Upper QG ARG 370 - QB LEU 373 5.03 7 0.21 1.07 + + * + + + + peak 1897 Upper HG2 ARG 370 - H ARG 374 4.94 19 1.18 2.65 ++++++++*++++++++++ peak 3659 Upper QG ARG 370 - H ARG 374 4.23 20 1.09 2.56 +++*++++++++++++++++ peak 3659 Upper QG ARG 370 - QQD LEU 384 3.81 11 0.90 2.80 +++*+ +++++ + peak 2572 Upper HG3 ARG 370 - H ARG 374 4.94 18 1.02 2.84 +++*+++++++ +++ ++++ peak 2604 Upper QD ARG 370 - HA GLN 371 4.80 10 0.27 1.09 ++ +++ * +++ + peak 2590 Upper QD ARG 370 - QQD LEU 384 4.44 11 1.08 2.69 ++++* +++++ + peak 2567 Upper H TRP 372 - HG LEU 373 5.50 12 0.25 0.53 ++ ++++* +++++ peak 1935 Upper HZ2 TRP 372 - HG LEU 373 5.50 18 1.12 2.37 ++++ +*++++++++++++ peak 1935 Upper HZ2 TRP 372 - HA LEU 387 4.43 17 2.23 3.75 ++++ ++ +++++*+++++ peak 121 Upper HZ2 TRP 372 - QQD LEU 387 4.29 10 0.18 0.92 ++ + * +++++ + peak 192 Upper HH2 TRP 372 - QD1 LEU 373 5.10 6 0.09 0.66 ++ * ++ + peak 206 Upper HH2 TRP 372 - HG LEU 387 5.16 9 0.20 0.89 ++ ++ + + *+ + peak 203 Upper HH2 TRP 372 - QD2 LEU 387 4.63 11 0.31 1.47 ++ + *++ + ++++ peak 204 Upper H LEU 373 - HG LEU 373 4.76 6 0.08 0.39 + * ++++ peak 1936 Upper H LEU 373 - QD ARG 374 5.50 8 0.22 1.08 +* + ++ + + + peak 2669 Upper HA LEU 373 - QE MET 383 4.72 17 0.73 1.77 ++++ +++ +++++*++++ peak 2648 Upper QB LEU 373 - QG MET 383 4.39 19 1.22 2.05 ++++ ++++++++*++++++ peak 1903 Upper QB LEU 373 - QE MET 383 4.79 10 0.25 0.86 + ++ +++ +++* peak 1902 Upper HB2 LEU 373 - QE MET 383 5.50 11 0.37 1.26 ++ +++ +++ + +* peak 1902 Upper HB2 LEU 373 - QB LEU 384 5.50 7 0.17 0.86 ++ * + + ++ peak 1902 Upper HB3 LEU 373 - QE MET 383 5.50 9 0.26 0.97 ++ + * + ++ ++ peak 1897 Upper HG LEU 373 - QE MET 383 4.70 7 0.29 1.23 +*+ + + ++ peak 1912 Upper QQD LEU 373 - H MET 383 4.94 19 0.58 1.86 +++++++++*++++++++ + peak 1072 Upper QQD LEU 373 - QB MET 383 4.09 16 0.43 1.07 +*++++++ + +++++++ peak 2964 Upper QQD LEU 373 - QE MET 383 2.97 9 0.14 0.48 +++++ + * ++ peak 1635 Upper QQD LEU 373 - H LEU 387 5.44 7 0.20 1.10 *++ + + + + peak 1788 Upper QD2 LEU 373 - QE MET 383 3.74 8 0.30 1.42 ++ + + + ++* peak 2937 Upper QD2 LEU 373 - QD2 LEU 387 4.07 7 0.28 1.46 + * + + + ++ peak 3134 Upper H ARG 374 - HD2 PRO 375 3.52 9 0.30 1.12 +++*+ + ++ + peak 313 Upper H ARG 374 - QG1 VAL 377 5.50 10 0.25 0.78 + ++ ++ ++*++ peak 1004 Upper QB ARG 374 - HD3 PRO 375 3.67 19 0.54 0.80 ++++++++++++++++ *++ peak 2677 Upper QB ARG 374 - H GLU 376 3.81 12 0.60 1.72 + + * + + +++++ ++ peak 1012 Upper QG ARG 374 - H ARG 378 5.23 6 0.30 1.94 ++ + * + + peak 2673 Upper QD ARG 374 - H GLU 376 4.83 8 0.12 0.45 ++ * ++ + ++ peak 311 Upper QD ARG 374 - H ARG 378 5.50 10 0.38 1.95 ++++++++* + peak 2669 Upper HA PRO 375 - QG1 VAL 377 5.50 8 0.46 1.51 + ++ * ++ ++ peak 2694 Upper HA PRO 375 - H ARG 378 4.40 9 0.29 1.35 + * + + +++ ++ peak 2714 Upper HA PRO 375 - QE MET 383 4.08 12 0.92 2.73 + + + + + +++++ +* peak 1643 Upper HA PRO 375 - QQD LEU 384 4.65 8 0.36 1.33 * + +++++ + peak 3007 Upper QB PRO 375 - QD LYS 380 3.93 10 0.65 2.38 + +* + +++++ + peak 2879 Upper QB PRO 375 - HE3 LYS 380 5.50 10 0.36 1.40 * + + +++++ ++ peak 2873 Upper QB PRO 375 - QQD LEU 384 4.25 11 0.68 1.84 * + + + +++++ ++ peak 2697 Upper HD2 PRO 375 - QQD LEU 384 3.58 18 1.09 2.82 ++++++++ +* ++++++++ peak 3006 Upper HD3 PRO 375 - QQD LEU 384 3.08 14 0.87 2.49 + + +++ +* +++++ ++ peak 8315 Upper H GLU 376 - QQD LEU 384 5.44 14 0.50 1.29 + ++ + +*++++++ ++ peak 1008 Upper QG GLU 376 - QQG VAL 377 3.02 9 0.35 1.62 + ++ +* + + ++ peak 2779 Upper H VAL 377 - QG ARG 378 5.34 8 0.17 0.71 + + +* + + + + peak 2832 Upper H VAL 377 - QE MET 383 4.09 6 0.09 0.39 *+ + + + + peak 1018 Upper QQG VAL 377 - QG ARG 378 4.12 7 0.10 0.42 + + * + + ++ peak 2817 Upper QG1 VAL 377 - H SER 379 5.50 11 0.62 1.72 ++ +++ +++ + + * peak 1036 Upper HB2 ARG 378 - QG MET 383 5.34 8 0.29 1.95 + * +++++ + peak 2823 Upper HB2 ARG 378 - QE MET 383 3.02 9 0.24 1.68 + * + +++++ + peak 1645 Upper QD ARG 378 - QE MET 383 4.55 11 0.27 1.14 + * + + +++++ ++ peak 1642 Upper QB SER 379 - H GLU 381 3.75 15 0.26 0.73 ++ +++++++ ++ +* ++ peak 344 Upper HA LYS 380 - QB MET 383 5.34 8 0.25 1.40 + + + ++ *+ + peak 2991 Upper HA LYS 380 - H LEU 384 5.50 8 0.18 0.76 +* +++ ++ + peak 2904 Upper QE LYS 380 - H GLN 382 5.34 11 0.24 0.77 + + +++ + + * + ++ peak 1054 Upper H GLN 382 - QG MET 383 5.34 12 0.31 0.86 + +++ ++*+++ + + peak 2982 Upper HA GLN 382 - H GLU 385 3.73 13 0.42 1.34 + +++ + + +*+++ ++ peak 385 Upper H MET 383 - QG MET 383 3.31 9 0.17 0.56 *++ +++++ + peak 1068 Upper H MET 383 - QE MET 383 4.74 7 0.14 0.82 + + *++ + + peak 1648 Upper HA MET 383 - QQD LEU 386 3.69 10 0.22 0.78 + +++ *+ ++ ++ peak 3062 Upper HA MET 383 - QD2 LEU 386 4.59 12 0.32 1.48 +* +++++ ++++ + peak 2975 Upper QG MET 383 - QQD LEU 386 4.00 7 0.18 1.15 ++ + + ++ * peak 3056 Upper HA LEU 384 - QB LEU 387 4.57 6 0.10 0.51 + + + + *+ peak 3131 Upper HA LEU 384 - H VAL 388 5.50 16 0.90 1.53 *++++++ ++ +++++ ++ peak 3020 Upper QB LEU 384 - H GLU 385 3.74 6 0.05 0.26 + + + * ++ peak 3012 Upper QB LEU 384 - H VAL 388 5.50 16 0.60 1.44 ++++*++ ++ ++ +++++ peak 3015 Upper H LEU 386 - HG LEU 386 2.92 12 0.40 0.99 +++++ ++++ ++ * peak 1095 Upper H LEU 386 - HB3 LEU 387 5.50 13 0.27 0.75 +++ ++ ++ ++*+ + + peak 3103 Upper H LEU 386 - HG LEU 387 4.34 8 0.47 2.21 + + +* + + ++ peak 3099 Upper HA LEU 386 - H LEU 389 4.40 16 0.88 2.49 ++++++ +++++ ++ *++ peak 3088 Upper QD2 LEU 386 - H LEU 387 4.89 6 0.08 0.48 ++ * ++ + peak 1105 Upper H LEU 387 - H LEU 389 4.63 18 0.86 2.50 + ++++++++++ +++*+++ peak 366 Upper QB LEU 387 - H VAL 388 3.52 9 0.14 0.37 + * + ++ + +++ peak 1117 Upper HB3 LEU 387 - H VAL 388 4.05 13 0.24 0.58 *++ +++ + ++ + +++ peak 1119 Upper HA VAL 388 - H GLN 391 5.50 6 0.22 1.16 + + + ++* peak 3155 Upper HA VAL 388 - H PHE 392 5.50 16 0.68 1.87 + + ++++++++*+ +++ + peak 3158 Upper QG1 VAL 388 - H LEU 389 3.98 8 0.11 0.44 + + + +*++ + peak 3166 Upper QQG VAL 388 - H PHE 392 5.44 7 0.21 1.23 ++ *+ + + + peak 2769 Upper QQG VAL 388 - QD PHE 392 4.33 11 0.32 1.43 + + +++ ++ + *++ peak 150 Upper QQG VAL 388 - QG PRO 412 3.60 13 0.52 1.52 ++++++ +* ++ +++ peak 8232 Upper H LEU 389 - HB3 PHE 392 5.50 9 0.27 1.73 ++ + + ++ ++* peak 473 Upper H LEU 389 - HG2 PRO 412 4.95 13 1.31 2.89 +++ ++*++ + ++++ peak 3811 Upper H LEU 389 - HG3 PRO 412 4.95 17 0.77 2.01 +++ +++*++++++++++ peak 3813 Upper QB LEU 389 - QD PRO 412 4.34 13 0.52 2.05 ++++ ++++* + + ++ peak 3758 Upper HA GLN 391 - HE22 GLN 391 5.50 6 0.12 0.57 + * + ++ + peak 1858 Upper HA GLN 391 - H LEU 393 5.50 7 0.25 1.05 + *+ ++ ++ peak 1863 Upper HA GLN 391 - H ALA 395 5.50 14 0.88 2.38 * +++ ++++ ++++ ++ peak 1860 Upper QE2 GLN 391 - HA ALA 395 5.31 15 0.70 1.89 * +++ +++++++++ ++ peak 416 Upper H PHE 392 - H ALA 395 5.50 13 0.47 1.64 * +++ ++++ ++++ + peak 426 Upper H PHE 392 - QB ALA 395 5.50 12 0.43 1.54 + +++ ++++ +*++ peak 1728 Upper HA PHE 392 - H GLY 394 3.69 10 0.44 2.18 +++ ++* + +++ peak 435 Upper HA PHE 392 - H ALA 395 4.73 8 0.24 1.85 + +* + +++ + peak 3241 Upper HA PHE 392 - QB ALA 395 4.56 6 0.17 0.87 +* +++ + peak 1716 Upper HB2 PHE 392 - QB LEU 393 5.34 6 0.07 0.24 ++ + *+ + peak 3236 Upper HB2 PHE 392 - QB ALA 395 5.50 12 0.56 1.54 + ++ +*++ ++++ + peak 3235 Upper QD PHE 392 - HG LEU 393 4.92 10 0.29 1.19 ++ ++ +*+ + ++ peak 3284 Upper QD PHE 392 - QB PRO 412 4.48 9 0.31 1.60 ++ * + + ++++ peak 144 Upper QD PHE 392 - HB2 PRO 412 5.12 8 0.29 1.73 + * ++ + + ++ peak 152 Upper QD PHE 392 - HB3 PRO 412 5.12 9 0.35 1.67 ++ * + + ++++ peak 144 Upper QD PHE 392 - QB ALA 415 3.29 15 1.45 2.99 + +++ ++++++++* ++ peak 145 Upper QD PHE 392 - H ALA 416 5.50 6 0.22 1.26 + +* + + + peak 965 Upper QE PHE 392 - QB ALA 395 5.28 8 0.33 2.13 + +* ++ + + + peak 160 Upper QE PHE 392 - QQD LEU 396 3.87 6 0.14 0.90 + + + + + * peak 167 Upper QE PHE 392 - QD1 LEU 396 4.77 10 0.51 1.69 ++++++ ++ * + peak 165 Upper QE PHE 392 - QQG VAL 404 5.50 8 0.13 0.56 +++++ + +* peak 3580 Upper QE PHE 392 - HA GLU 413 4.41 9 0.31 1.28 ++ +++ + + +* peak 112 Upper HZ PHE 392 - QQD LEU 396 3.82 9 0.34 1.69 ++++ ++ + + * peak 183 Upper HZ PHE 392 - QD1 LEU 396 4.41 15 1.07 2.45 +++*+++++ + ++ + + + peak 182 Upper HZ PHE 392 - QD2 LEU 396 4.41 6 0.29 1.74 + + + ++* peak 183 Upper H LEU 393 - QQD LEU 393 3.48 7 0.07 0.26 ++ + + + * + peak 766 Upper H LEU 393 - QB ALA 395 5.50 10 0.19 0.81 ++++ + + *+++ peak 1726 Upper HA LEU 393 - QE2 GLN 401 4.06 14 0.59 1.80 + + +++ ++++ +*+ ++ peak 456 Upper HA LEU 393 - QE2 GLN 405 5.34 18 2.08 4.17 + + +++++++++++*++++ peak 521 Upper QB LEU 393 - QE2 GLN 401 5.18 9 0.34 1.03 + + +++ *+ + + peak 1199 Upper QB LEU 393 - QB ALA 415 5.34 6 0.19 1.04 + ++ * + + peak 1683 Upper HG LEU 393 - QB ALA 415 3.66 12 1.07 3.41 + *+ + +++ +++ ++ peak 1684 Upper QQD LEU 393 - QE2 GLN 405 3.87 16 0.40 1.24 + ++++ +++++++++*+ peak 1224 Upper QD1 LEU 393 - HE21 GLN 405 5.50 8 0.28 1.93 + +++ + +* + peak 1224 Upper QQD LEU 393 - QG PRO 409 3.57 17 1.08 2.60 * ++++++++++++++++ peak 3266 Upper QD1 LEU 393 - H GLY 410 5.50 18 1.04 2.62 +++ ++ ++++++++++*++ peak 1257 Upper QQD LEU 393 - H SER 411 3.96 20 1.12 1.99 +++++++++*++++++++++ peak 1264 Upper QD1 LEU 393 - H SER 411 4.62 18 1.30 3.36 ++++++ +++++++++ *++ peak 1265 Upper QQD LEU 393 - HA PRO 412 3.77 14 0.81 2.22 ++ +++++* + +++++ peak 3279 Upper QQD LEU 393 - QG GLU 414 4.59 15 1.15 2.47 + +++++*+++ + ++++ peak 3269 Upper QQD LEU 393 - H ALA 415 4.44 13 0.44 1.20 + +*+ +++++++ + + peak 3293 Upper QD1 LEU 393 - H ALA 415 5.17 11 0.30 1.15 + *++ + ++++ + + peak 3299 Upper QQD LEU 393 - HA ALA 415 3.73 15 1.30 2.74 + *++ +++++++++ ++ peak 3278 Upper QD2 LEU 393 - HE21 GLN 405 5.50 11 0.36 1.97 + ++++ ++ + + *+ peak 1342 Upper QD2 LEU 393 - HE22 GLN 405 5.50 7 0.18 1.78 + + + + ++ * peak 1231 Upper QD2 LEU 393 - H GLY 410 5.50 18 1.13 2.82 ++++++++++++ + *++++ peak 1258 Upper QD2 LEU 393 - H SER 411 4.62 16 1.43 3.39 ++++ ++*+++ + +++++ peak 1264 Upper QD2 LEU 393 - H ALA 415 5.17 18 0.68 1.63 +++++++ ++*++++++ ++ peak 3293 Upper H GLY 394 - HA ALA 395 5.40 6 0.08 0.41 *+ + + + + peak 434 Upper H GLY 394 - QB ALA 395 4.24 7 0.16 0.91 ++ ++* + + peak 1725 Upper H GLY 394 - H LEU 396 5.50 8 0.26 1.13 + + ++* + ++ peak 432 Upper H GLY 394 - QQD LEU 396 5.44 6 0.09 0.44 + + + * + + peak 1181 Upper H GLY 394 - QE2 GLN 401 4.55 16 1.21 2.41 + + +++ +++++++*+ ++ peak 433 Upper HA2 GLY 394 - H LEU 396 4.12 14 0.58 1.21 +++ +*+ ++++ ++ ++ peak 461 Upper HA2 GLY 394 - QE2 GLN 401 3.41 16 1.74 3.10 + + +++ *++++++++ ++ peak 455 Upper HA3 GLY 394 - QE2 GLN 401 4.51 16 1.86 3.18 + + +++ *++++++++ ++ peak 3306 Upper H ALA 395 - H LEU 396 3.21 8 0.25 0.98 ++ ++* + ++ peak 445 Upper H ALA 395 - HG LEU 396 5.50 6 0.12 0.96 + + + *+ + peak 3361 Upper H ALA 395 - QD1 LEU 396 5.50 10 0.19 0.74 + *+ + + ++ +++ peak 1113 Upper H ALA 395 - QE2 GLN 401 4.65 16 0.52 1.14 + +++++++++*+ ++++ peak 447 Upper QB ALA 395 - H LEU 396 3.48 8 0.08 0.24 + + *+++ ++ peak 1721 Upper H LEU 396 - HG LEU 396 3.38 14 0.74 1.84 + +++ ++*++++++ + peak 1185 Upper H LEU 396 - QQD LEU 396 3.54 9 0.11 0.47 + + + ++++ +* peak 1188 Upper H LEU 396 - QD1 ILE 400 5.50 8 0.20 0.98 +++ + + *+ + peak 3487 Upper H LEU 396 - HA GLN 401 4.86 20 2.14 3.04 ++++++++++++++++*+++ peak 462 Upper H LEU 396 - QG GLN 401 4.24 12 0.28 1.47 ++ ++++*++ + ++ peak 1184 Upper HA LEU 396 - H GLN 401 5.50 12 0.45 1.55 ++++++ * + + ++ + peak 3367 Upper QB LEU 396 - HD3 PRO 397 3.99 13 0.19 0.46 + +++ * +++++++ + peak 3412 Upper QB LEU 396 - HA GLN 401 4.43 8 0.30 1.65 ++ + * + ++ + peak 3509 Upper QB LEU 396 - QG GLN 401 3.52 6 0.13 0.87 ++ + + * + peak 4096 Upper HG LEU 396 - QQG VAL 419 3.20 17 0.59 1.36 + +++++++++++++++* peak 3952 Upper HG LEU 396 - QG1 VAL 419 3.82 14 0.56 1.67 ++ +++ ++*++++ ++ peak 3952 Upper HG LEU 396 - QG2 VAL 419 3.82 14 0.68 2.34 + +*+ +++++ + ++++ peak 3956 Upper QQD LEU 396 - H ILE 400 4.34 7 0.14 0.76 + + * + ++ + peak 234 Upper QD1 LEU 396 - HB ILE 400 4.57 6 0.29 2.32 ++ * + ++ peak 3463 Upper QQD LEU 396 - HA VAL 404 5.44 8 0.23 0.97 ++ ++ * ++ + peak 3590 Upper QQD LEU 396 - H GLN 405 5.44 7 0.13 0.73 *+ + + + + + peak 3359 Upper QD1 LEU 396 - H VAL 419 5.50 8 0.20 0.88 + *++++ + + peak 1314 Upper QD2 LEU 396 - H ILE 400 5.50 13 0.39 1.71 +++++ ++ + *+ +++ peak 284 Upper QD2 LEU 396 - HB ILE 400 4.57 14 0.63 1.75 +++*+ ++ + +++ +++ peak 3464 Upper QD2 LEU 396 - HB2 GLN 401 5.50 6 0.11 0.66 ++ + +* + peak 4060 Upper QD2 LEU 396 - HB3 GLN 401 5.50 7 0.26 1.18 + ++ + +* + peak 4064 Upper QD2 LEU 396 - H VAL 419 5.50 7 0.14 0.76 + +* ++ ++ peak 3351 Upper QD2 LEU 396 - HA VAL 419 5.50 7 0.33 1.48 + ++ *+ ++ peak 3948 Upper QB PRO 397 - QG1 ILE 400 4.52 6 0.09 0.66 ++ + *+ + peak 3395 Upper HD2 PRO 397 - H ILE 400 4.58 11 0.25 0.72 +++++++ + ++ * peak 240 Upper HD2 PRO 397 - HB ILE 400 5.42 8 0.10 0.33 +++ + + +* + peak 3459 Upper HA PRO 398 - H ALA 402 3.47 13 0.39 1.03 + +++++++*+ ++ + peak 484 Upper QB PRO 398 - QB ALA 402 4.12 17 0.49 1.40 + + +++++++*+++++ ++ peak 1796 Upper QB GLU 399 - QG1 ILE 400 5.18 7 0.20 0.79 + ++ + *+ + peak 3474 Upper QG GLU 399 - HG13 ILE 400 4.50 9 0.15 0.49 * ++ +++++ + peak 3475 Upper H ILE 400 - HG13 ILE 400 3.53 9 0.24 0.80 + +* +++++ + peak 233 Upper HA ILE 400 - H VAL 404 4.37 8 0.29 1.29 *+ + + + ++ + peak 737 Upper QG2 ILE 400 - H LEU 422 5.50 11 0.34 0.94 + ++ +++* ++ + + peak 1675 Upper QD1 ILE 400 - QD ARG 423 4.06 6 0.08 0.54 ++* + + + peak 2729 Upper QE2 GLN 401 - HB VAL 404 5.34 10 0.47 1.65 * +++ + ++ ++ + peak 1197 Upper HE21 GLN 401 - QB ALA 415 5.50 9 0.45 1.97 ++ *++ ++ + + peak 1199 Upper HE22 GLN 401 - QB ALA 415 5.50 6 0.50 2.12 + ++ +* + peak 1207 Upper HA ALA 402 - QE2 GLN 405 5.34 12 0.40 1.43 + +++ ++ +++* ++ peak 497 Upper HA ALA 402 - H GLY 406 5.42 9 0.14 0.50 + + + + + +++* peak 522 Upper H VAL 404 - HB2 LEU 418 5.50 7 0.14 0.63 + ++ + + + * peak 3907 Upper H VAL 404 - HB3 LEU 418 5.50 7 0.17 0.62 ++ + * + + + peak 3909 Upper HA VAL 404 - QG GLN 407 5.50 9 0.21 0.87 + ++++++ * + peak 3588 Upper QQG VAL 404 - QG GLN 405 3.71 12 0.22 0.68 +++++ +++ * + ++ peak 3504 Upper H GLN 405 - QG GLN 405 3.65 7 0.09 0.38 * ++ + ++ + peak 3605 Upper H GLN 407 - H ARG 408 3.50 17 0.68 0.98 +*++++ +++++ + +++++ peak 491 Upper HB2 PRO 409 - QB SER 411 4.70 12 0.25 0.96 ++++ + +++ + + *+ peak 3739 Upper HB2 PRO 409 - HB3 SER 411 5.50 17 0.48 1.39 ++ +++++++++++++ *+ peak 3739 Upper HB2 PRO 409 - H ALA 415 3.79 9 0.22 1.28 * + + + + + +++ peak 1283 Upper HB2 PRO 409 - QD2 LEU 418 4.99 10 0.26 1.20 ++ ++ + +++ *+ peak 3685 Upper HB3 PRO 409 - H SER 411 4.94 11 0.24 0.89 * +++ + + ++ ++ + peak 3702 Upper HB3 PRO 409 - QB GLU 414 3.49 7 0.15 0.84 + +* + + + + peak 477 Upper HB3 PRO 409 - H ALA 415 3.67 12 0.42 2.19 +* ++++ ++++ + + peak 3704 Upper HB3 PRO 409 - QD2 LEU 418 3.61 11 0.27 1.52 ++ ++ + ++++ *+ peak 3689 Upper HD2 PRO 409 - QB ALA 415 5.50 10 0.18 0.83 ++ *+ +++ + ++ peak 3674 Upper HD2 PRO 409 - QD2 LEU 418 5.45 11 0.25 0.89 + +++ + +++ + +* peak 3675 Upper H GLY 410 - HA GLU 414 5.50 9 0.58 1.79 *++++ + + + + peak 3875 Upper H SER 411 - QG GLU 414 3.95 7 0.23 1.17 + + + + + * + peak 1259 Upper H SER 411 - H ALA 415 3.98 18 0.63 1.35 ++++++ ++++++++++*+ peak 566 Upper HB2 SER 411 - HD3 PRO 412 4.69 7 0.09 0.32 ++++ * + + peak 3728 Upper HA PRO 412 - QG GLU 414 5.34 16 0.72 2.42 ++++ + +++++ +++*++ peak 3741 Upper HG3 PRO 412 - H GLU 413 5.07 8 0.18 0.74 +* + + + + + + peak 3814 Upper H GLU 413 - HG3 GLU 413 4.48 6 0.10 0.48 + + + * + + peak 1267 Upper HA GLU 413 - H ALA 415 4.33 6 0.12 0.90 * ++ + + + peak 567 Upper HA GLU 413 - H ALA 417 4.25 11 0.63 2.00 ++ *++++ + + + + peak 575 Upper QB GLU 413 - H ALA 417 5.34 10 0.42 1.37 ++ *+++ + + + + peak 1293 Upper HG3 GLU 413 - H GLU 414 5.28 6 0.09 0.56 + + + + +* peak 3819 Upper H GLU 414 - QG GLU 414 3.31 8 0.16 0.67 ++*+ ++ + + peak 1276 Upper QB GLU 414 - QB ALA 415 3.47 17 0.50 1.19 *+++++++ + +++++ +++ peak 1685 Upper QG GLU 414 - HA ALA 415 5.14 9 0.24 0.73 +++ +*++ + + peak 3890 Upper QG GLU 414 - QQD LEU 418 3.45 11 0.48 1.45 +++*++++ +++ peak 3879 Upper HG3 GLU 414 - H ALA 415 4.35 7 0.21 1.04 + +*++ ++ peak 3865 Upper H ALA 415 - HB2 LEU 418 5.50 6 0.14 0.78 + + + + *+ peak 3907 Upper H ALA 415 - HG LEU 418 4.49 8 0.10 0.45 + *+++ + + + peak 3913 Upper H ALA 415 - QD2 LEU 418 5.13 13 0.30 0.64 ++ +++++++ + + * + peak 3917 Upper HA ALA 415 - H ALA 417 4.19 8 0.13 0.53 ++ *+ + ++ + peak 576 Upper HA ALA 415 - QD2 LEU 418 3.83 10 0.20 0.57 ++ +*++ + + + + peak 3937 Upper HA ALA 416 - QG1 VAL 419 4.25 8 0.20 1.00 +* + + ++ + + peak 3959 Upper HA ALA 417 - H ASP 420 3.32 18 0.32 0.63 +++++++*++ ++++++ ++ peak 3905 Upper HA ALA 417 - HB3 ASP 420 3.58 7 0.16 1.11 ++* ++ + + peak 1485 Upper QB ALA 417 - HB2 ASP 420 4.40 16 0.25 0.76 +++++++*+ ++ ++ + ++ peak 1490 Upper QB ALA 417 - HB3 ASP 420 4.40 8 0.14 0.60 + + *+ + + ++ peak 1487 Upper H LEU 418 - QG1 VAL 419 5.50 9 0.16 0.56 +* + + ++ + ++ peak 8239 Upper HA LEU 418 - QD1 LEU 418 3.17 20 0.64 0.87 ++++++++++++++++++*+ peak 530 Upper HA VAL 419 - HG LEU 422 4.14 12 0.38 1.30 +* + + + + ++++ ++ peak 4002 Upper H ASP 420 - QD ARG 423 5.50 7 0.11 0.57 * + ++ + + + peak 4042 Upper H GLY 421 - QB LEU 422 5.04 7 0.08 0.36 + + + + + *+ peak 1885 Upper HA ARG 423 - HG3 ARG 423 3.69 6 0.07 0.30 + ++ * ++ peak 1232 VdW HB2 ARG 44 - NH1 ARG 44 2.50 9 0.21 0.59 + + ++ ++* ++ VdW CG ARG 44 - HH12 ARG 44 2.55 6 0.13 0.57 + + *+++ VdW HG3 ARG 44 - CD2 PHE 47 2.60 6 0.12 0.43 + + ++ +* VdW CD ARG 44 - SG CYS 69 3.40 7 0.13 0.59 + + + * +++ VdW NE ARG 44 - N CYS 69 2.90 8 0.19 0.67 ++ * ++ + + + VdW NE ARG 44 - CA CYS 69 3.05 6 0.12 0.43 + + + + +* VdW NE ARG 44 - HA CYS 69 2.45 6 0.13 0.62 + + + + *+ VdW CZ ARG 44 - HA CYS 69 2.60 6 0.12 0.72 + + ++ *+ VdW NH1 ARG 44 - CD1 TRP 72 3.10 8 0.14 0.47 + + ++ *+ ++ VdW O ARG 44 - N PHE 47 2.75 11 0.18 0.43 ++ + * + ++++ ++ VdW O ARG 44 - CD1 PHE 47 2.90 10 0.31 0.85 + + + * + ++++ + VdW O ARG 44 - HD1 PHE 47 2.30 8 0.21 0.79 + + * + + ++ + VdW CD1 PHE 47 - C PHE 47 3.10 12 0.29 0.63 + ++ ++ + + +*++ + VdW CD1 PHE 47 - N ARG 48 3.05 9 0.15 0.46 + ++ + + ++ * + VdW HD1 PHE 47 - C PHE 47 2.50 8 0.17 0.55 + + + +++* + VdW HD1 PHE 47 - N ARG 48 2.45 10 0.26 0.80 + ++ + + +++* + VdW CE2 PHE 47 - CA LEU 65 3.20 7 0.14 0.50 + ++ + +* + VdW CE2 PHE 47 - HA LEU 65 2.60 8 0.26 0.83 + ++ + + +* + VdW HE2 PHE 47 - CA LEU 65 2.60 8 0.21 0.68 + +* + + ++ + VdW HE2 PHE 47 - HA LEU 65 2.00 7 0.22 0.75 + +* + ++ + VdW HE2 PHE 47 - CB LEU 65 2.60 6 0.16 0.92 + + * + + + VdW C PHE 47 - H CYS 49 2.45 7 0.16 0.60 *+ + +++ + VdW SG CYS 49 - C CYS 49 3.10 7 0.11 0.30 *+ ++ ++ + VdW CE1 PHE 50 - CB ALA 61 3.20 6 0.14 0.54 ++*++ + VdW CZ PHE 50 - HB3 GLU 60 2.60 9 0.22 0.80 +*++ + + + + + VdW HZ PHE 50 - HB3 GLU 60 2.00 8 0.19 0.67 ++ *++ + + + VdW CG HIS 51 - O HIS 51 2.90 12 0.24 0.49 ++++ *+ + +++++ VdW N TYR 52 - O ALA 95 2.75 6 0.17 0.82 + + ++ *+ VdW HA TYR 52 - CG2 THR 56 2.60 6 0.14 0.59 +* + + ++ VdW CB TYR 52 - CA LEU 96 3.20 6 0.16 0.68 + + + +* + VdW CB TYR 52 - HA LEU 96 2.60 8 0.28 1.06 * + +++++ + VdW HB2 TYR 52 - O GLY 57 2.30 8 0.28 1.22 + +++ * + ++ VdW HB3 TYR 52 - CA LEU 96 2.60 8 0.20 0.78 + + +++*+ + VdW HB3 TYR 52 - HA LEU 96 2.00 7 0.24 1.03 * + ++++ + VdW CG TYR 52 - C TYR 52 2.90 10 0.16 0.24 ++ + *++ + + ++ VdW CG TYR 52 - C GLY 57 3.10 6 0.15 0.69 ++ ++ + * VdW CD1 TYR 52 - C TYR 52 3.10 9 0.26 0.74 + + + ++ * + + + VdW CD1 TYR 52 - N GLU 53 3.05 7 0.15 0.78 + + ++ * + + VdW CD1 TYR 52 - C GLY 57 3.10 7 0.14 0.58 + ++ * + ++ VdW HD1 TYR 52 - C TYR 52 2.50 7 0.26 0.88 + + + + + + * VdW HD1 TYR 52 - N GLU 53 2.45 6 0.14 0.73 * + + + + + VdW CD2 TYR 52 - C TYR 52 3.10 11 0.34 0.91 + ++ + +* + + + ++ VdW CD2 TYR 52 - N GLU 53 3.05 6 0.15 0.75 + + + + * + VdW CD2 TYR 52 - HD3 PRO 97 2.60 7 0.21 1.13 + + +++* + VdW HD2 TYR 52 - C TYR 52 2.50 10 0.32 1.13 + ++ + +* + + + + VdW HD2 TYR 52 - N GLU 53 2.45 8 0.22 0.76 + ++ + + + * + VdW H GLU 53 - CG2 THR 56 2.55 8 0.16 0.60 ++++* + ++ VdW C GLU 53 - N ALA 55 2.95 6 0.10 0.28 +* + + ++ VdW C GLU 53 - H ALA 55 2.45 7 0.12 0.37 +* + + + ++ VdW CG2 THR 56 - C THR 56 2.90 16 0.26 0.32 ++++ ++++ + + ++++*+ VdW CG2 THR 56 - N GLY 57 3.05 7 0.20 0.87 + + *++++ VdW CG2 THR 56 - CG GLU 60 3.20 7 0.14 0.43 + * ++ + ++ VdW O THR 56 - N TYR 352 2.75 7 0.18 0.65 ++ + + + +* VdW CA GLY 57 - CB TYR 352 3.20 6 0.19 0.89 + * ++ ++ VdW CA GLY 57 - HB3 TYR 352 2.60 6 0.22 1.10 + + * + ++ VdW HA3 GLY 57 - CG TYR 352 2.60 7 0.27 1.00 + + ++ + *+ VdW C GLY 57 - HB3 TYR 352 2.50 6 0.13 0.81 + + + + + * VdW CD PRO 58 - CG TYR 352 3.20 6 0.18 1.20 + + + + *+ VdW CA PRO 58 - CA ALA 395 3.20 6 0.16 0.61 + + + *+ + VdW CA PRO 58 - CB ALA 395 3.20 6 0.23 1.15 + + + +* + VdW CA PRO 58 - C ALA 395 3.10 8 0.32 1.10 + + ++*++ + VdW CA PRO 58 - O ALA 395 2.90 9 0.34 1.32 + + ++*++ ++ VdW HA PRO 58 - CA ALA 395 2.60 7 0.26 0.96 + + * +++ + VdW HA PRO 58 - CB ALA 395 2.60 6 0.28 1.52 + + + +* + VdW HA PRO 58 - C ALA 395 2.50 7 0.26 0.91 + + +*+ + + VdW CB PRO 58 - H GLN 59 2.55 15 0.28 0.38 +++ ++++ *+++++ ++ VdW CB PRO 58 - CB PRO 358 3.20 6 0.15 0.85 * + ++ ++ VdW CB PRO 58 - HB3 PRO 358 2.60 7 0.24 1.18 * + ++ + ++ VdW CB PRO 58 - C ALA 395 3.10 6 0.24 1.09 + * + ++ + VdW CB PRO 58 - CD2 LEU 396 3.20 8 0.30 1.12 + ++ + + * ++ VdW CB PRO 58 - HD21 LEU 396 2.60 6 0.14 1.12 + + + + *+ VdW HB2 PRO 58 - N GLN 59 2.45 8 0.20 0.32 + *+ + + + ++ VdW HB2 PRO 58 - H GLN 59 1.95 15 0.31 0.59 +++ + *++++++++ ++ VdW HB3 PRO 58 - CA LEU 396 2.60 6 0.22 1.20 + * + + ++ VdW HB3 PRO 58 - CB LEU 396 2.60 6 0.22 1.17 + + + * + + VdW HB3 PRO 58 - CD2 LEU 396 2.60 7 0.28 1.22 + ++ * + + + VdW CG PRO 58 - NE2 GLN 59 3.05 7 0.17 0.58 ++ + + + * + VdW CG PRO 58 - HE22 GLN 59 2.55 6 0.12 0.57 + +++ + * VdW CG PRO 58 - N PRO 358 3.05 6 0.11 0.53 + + + + *+ VdW CG PRO 58 - CA PRO 358 3.20 6 0.22 1.07 * + + + ++ VdW CG PRO 58 - HA PRO 358 2.60 6 0.16 0.73 * + + + ++ VdW CG PRO 58 - CB PRO 358 3.20 9 0.35 1.37 + + ++*++ ++ VdW CG PRO 58 - HB3 PRO 358 2.60 7 0.33 1.51 * + +++ ++ VdW CG PRO 58 - CD2 LEU 396 3.20 6 0.15 0.77 + * + ++ + VdW HG2 PRO 58 - OE1 GLN 59 2.30 6 0.21 1.10 *++++ + VdW HG2 PRO 58 - NE2 GLN 59 2.45 10 0.26 0.96 +++ + + + + + + * VdW HG2 PRO 58 - N PRO 358 2.45 6 0.14 0.65 + + + + *+ VdW HG2 PRO 58 - CA PRO 358 2.60 6 0.30 1.52 * + + + ++ VdW HG2 PRO 58 - HA PRO 358 2.00 6 0.23 1.05 + * + + ++ VdW HG2 PRO 58 - CB PRO 358 2.60 7 0.26 1.63 + ++*++ + VdW HD2 PRO 58 - CG TYR 352 2.60 8 0.32 1.57 ++ + + + + *+ VdW HD3 PRO 58 - HD3 PRO 397 2.00 6 0.21 1.04 + + *+ + + VdW C PRO 58 - N GLU 60 2.95 18 0.41 0.60 +++++++ +++++++*+ ++ VdW C PRO 58 - H GLU 60 2.45 15 0.43 0.80 ++* + + ++++++++ ++ VdW O PRO 58 - C GLN 59 2.80 20 0.41 0.48 ++++++++++++++++++*+ VdW O PRO 58 - N GLU 60 2.75 18 0.81 1.17 +++++++ +++++++++ *+ VdW O PRO 58 - H GLU 60 1.80 8 0.18 0.55 + + + + + + *+ VdW O PRO 58 - CA GLU 60 2.90 10 0.17 0.42 ++ + + + +++ *+ VdW N GLN 59 - CD GLN 59 2.95 8 0.17 0.56 ++* +++ + + VdW N GLN 59 - NE2 GLN 59 2.90 6 0.12 0.56 + *++ + + VdW H GLN 59 - CD GLN 59 2.45 9 0.21 0.75 ++++ *+ + + + VdW H GLN 59 - HE21 GLN 59 1.90 9 0.23 0.83 + +++++ * ++ VdW CB GLN 59 - HE21 GLN 59 2.55 6 0.09 0.34 + ++ + +* VdW CB GLN 59 - C PRO 358 3.10 6 0.15 0.59 + + *+ ++ VdW CB GLN 59 - N GLN 359 3.05 8 0.26 0.96 *+ + +++ + + VdW CB GLN 59 - CA GLN 359 3.20 6 0.22 1.02 * + +++ + VdW HB2 GLN 59 - C PRO 358 2.50 7 0.24 1.00 * + +++ + + VdW HB2 GLN 59 - N GLN 359 2.45 6 0.26 1.23 * + +++ + VdW CG GLN 59 - CA GLN 359 3.20 6 0.22 0.89 + + +++ * VdW CG GLN 59 - HA GLN 359 2.60 6 0.25 1.07 + + ++* + VdW CD GLN 59 - HA ALA 416 2.50 6 0.13 0.79 *+ + + + + VdW OE1 GLN 59 - CZ PHE 392 2.90 6 0.20 0.91 ++ + ++ * VdW NE2 GLN 59 - CB ALA 116 3.05 6 0.13 0.81 + +*+ + + VdW NE2 GLN 59 - CA PRO 358 3.05 6 0.31 1.46 ++ + * + + VdW NE2 GLN 59 - CB PRO 358 3.05 7 0.16 0.61 ++ + + + + * VdW C GLN 59 - N ALA 61 2.95 12 0.28 0.71 ++ + + + + +++*++ VdW C GLN 59 - H ALA 61 2.45 11 0.36 1.03 ++ + + + + ++*++ VdW O GLN 59 - C GLU 60 2.80 9 0.16 0.48 ++ + * + ++++ VdW O GLN 59 - N ALA 61 2.75 11 0.43 1.35 ++ + + + + + +*++ VdW O GLN 59 - CB ALA 361 2.90 13 0.54 1.33 ++ + + + +++*++ ++ VdW O GLN 59 - HB1 ALA 361 2.30 7 0.27 0.97 ++ + + *+ + VdW O GLN 59 - HB3 ALA 361 2.30 7 0.25 1.09 + * ++ + ++ VdW HA GLU 60 - CD1 PHE 350 2.60 6 0.16 0.71 + + + * + + VdW CG GLU 60 - HA HIS 351 2.60 6 0.13 0.66 + + + * ++ VdW CB ALA 61 - HA PHE 392 2.60 6 0.11 0.53 ++ + * ++ VdW C ALA 61 - N ALA 63 2.95 16 0.32 0.51 *+ + +++++ +++++ +++ VdW C ALA 61 - H ALA 63 2.45 17 0.55 0.79 *+ + +++++++++++ +++ VdW O ALA 61 - N ALA 63 2.75 15 0.47 0.78 *+ + ++++ +++++ +++ VdW O ALA 61 - H ALA 63 1.80 12 0.24 0.54 ++ +* + +++++ + + VdW O ALA 61 - N GLN 64 2.75 10 0.21 0.53 ++++++ + + * + VdW O ALA 61 - H GLN 64 1.80 9 0.18 0.48 ++ +++ + * ++ VdW O ALA 61 - CD1 LEU 65 2.90 10 0.25 0.81 ++ + ++ +*+ + + VdW CA LEU 62 - CD1 LEU 365 3.20 9 0.26 1.19 ++ + + + + ++* VdW CA LEU 62 - CD2 LEU 365 3.20 8 0.30 1.10 + + + +*+ ++ VdW CA LEU 62 - HD22 LEU 365 2.60 6 0.22 1.00 + + +++ * VdW HA LEU 62 - CD1 LEU 65 2.60 7 0.17 0.66 ++++ * ++ VdW HA LEU 62 - HD11 LEU 65 2.00 6 0.15 0.58 +*+ + ++ VdW HA LEU 62 - CD2 LEU 65 2.60 8 0.18 0.62 + + +*+ +++ VdW HA LEU 62 - HD23 LEU 65 2.00 7 0.18 0.78 ++ + *++ + VdW HA LEU 62 - CD1 LEU 365 2.60 7 0.25 1.51 ++ + + + +* VdW HA LEU 62 - CD2 LEU 365 2.60 8 0.33 1.41 + + + +++ *+ VdW HA LEU 62 - HD22 LEU 365 2.00 6 0.20 1.05 * + +++ + VdW CB LEU 62 - N LEU 362 3.05 15 0.54 1.26 ++ + +* + +++++++++ VdW CB LEU 62 - H LEU 362 2.55 7 0.21 0.86 +* + + + + + VdW CB LEU 62 - CA LEU 362 3.20 14 0.52 1.14 ++ + ++ + ++++*++ + VdW CB LEU 62 - HA LEU 362 2.60 11 0.48 1.40 + ++ + ++++* + + VdW HB2 LEU 62 - N LEU 362 2.45 9 0.23 1.05 + + * + + ++ + + VdW HB2 LEU 62 - H LEU 362 1.95 6 0.15 1.02 ++ + * + + VdW HB3 LEU 62 - C ALA 361 2.50 9 0.19 0.50 + + + * +++ ++ VdW HB3 LEU 62 - N LEU 362 2.45 15 0.56 1.31 ++ * ++ + +++++++++ VdW HB3 LEU 62 - CA LEU 362 2.60 14 0.63 1.37 ++ + ++ + ++++++* + VdW HB3 LEU 62 - HA LEU 362 2.00 11 0.47 1.34 + ++ + +++++* + VdW HB3 LEU 62 - CB LEU 362 2.60 6 0.10 0.44 ++ + * + + VdW CG LEU 62 - CA LEU 362 3.20 10 0.23 0.80 + * +++++ +++ VdW CG LEU 62 - HA LEU 362 2.60 8 0.37 1.27 * +++ + +++ VdW CG LEU 62 - HD13 LEU 362 2.60 6 0.10 0.44 + + + + * + VdW CD1 LEU 62 - CD1 PHE 92 3.20 6 0.17 0.77 *+ + + + + VdW CD1 LEU 62 - CD2 PHE 92 3.20 6 0.18 1.08 + * ++ ++ VdW CD1 LEU 62 - CB LEU 362 3.20 6 0.14 0.59 ++ * + + + VdW CD1 LEU 62 - CG LEU 362 3.20 6 0.20 0.99 + + +* + + VdW CD1 LEU 62 - CD1 LEU 362 3.20 10 0.34 0.94 + + + ++* + ++ + VdW CD1 LEU 62 - HD13 LEU 362 2.60 7 0.24 1.14 * + ++ + ++ VdW CD1 LEU 62 - CD2 LEU 362 3.20 8 0.29 1.24 ++++ + + * + VdW CD1 LEU 62 - HD23 LEU 362 2.60 6 0.22 1.41 + ++ + + * VdW CD1 LEU 62 - CD1 PHE 392 3.20 6 0.21 1.10 + + *++ + VdW HD12 LEU 62 - CD1 LEU 362 2.60 6 0.18 0.72 + + ++* + VdW CD2 LEU 62 - CA LEU 362 3.20 7 0.32 1.17 * +++ + ++ VdW CD2 LEU 62 - HA LEU 362 2.60 9 0.34 1.19 + + *++++ ++ VdW CD2 LEU 62 - CB LEU 362 3.20 10 0.30 1.32 + + + + + +++*+ VdW CD2 LEU 62 - CG LEU 362 3.20 8 0.31 1.60 + + + ++ +*+ VdW CD2 LEU 62 - HG LEU 362 2.60 6 0.25 1.20 * + ++ ++ VdW CD2 LEU 62 - CD1 LEU 362 3.20 10 0.32 1.25 + + ++ + ++ +*+ VdW CD2 LEU 62 - C LEU 362 3.10 6 0.17 1.00 * +++ + + VdW CD2 LEU 62 - CG1 VAL 388 3.20 7 0.17 0.80 + + + ++ +* VdW HD21 LEU 62 - CG LEU 362 2.60 7 0.21 1.00 ++ +++ +* VdW HD21 LEU 62 - CD1 LEU 362 2.60 6 0.18 1.29 + + ++ +* VdW HD23 LEU 62 - CB LEU 362 2.60 7 0.22 0.96 + + + + + +* VdW C LEU 62 - CB ALA 361 3.10 7 0.16 0.88 ++ + * + ++ VdW C LEU 62 - CB LEU 365 3.10 9 0.21 0.77 + + ++++++ * VdW C LEU 62 - HB2 LEU 365 2.50 6 0.18 0.97 * + + ++ + VdW C LEU 62 - CG LEU 365 3.10 12 0.39 1.22 + + ++ ++++ +++* VdW C LEU 62 - CD1 LEU 365 3.10 11 0.29 0.91 ++ + ++ + * ++++ VdW C LEU 62 - CD2 LEU 365 3.10 8 0.29 1.17 + + + *+ +++ VdW O LEU 62 - O ALA 361 2.60 8 0.19 0.88 + + * + + +++ VdW O LEU 62 - N LEU 365 2.75 6 0.18 1.05 + * +++ + VdW O LEU 62 - CB LEU 365 2.90 9 0.32 1.21 + + + *++++ + VdW O LEU 62 - HB2 LEU 365 2.30 7 0.26 1.34 + * + + ++ + VdW O LEU 62 - CG LEU 365 2.90 11 0.48 1.31 * + + ++++ ++++ VdW O LEU 62 - HG LEU 365 2.30 8 0.35 1.36 + + + ++ +*+ VdW O LEU 62 - CD1 LEU 365 2.90 7 0.29 1.46 + + + + *++ VdW N ALA 63 - CB ALA 361 3.05 10 0.26 0.89 *+ + ++ + ++ ++ VdW HA ALA 63 - N LEU 365 2.45 6 0.13 0.49 + + ++ *+ VdW CB ALA 63 - CG PHE 350 3.20 7 0.13 0.51 + + ++ + *+ VdW CB ALA 63 - CD1 PHE 350 3.20 8 0.17 0.54 + + + + +* ++ VdW N GLN 64 - HG2 GLN 64 2.45 9 0.17 0.46 + *++ ++ + ++ VdW C GLN 64 - CE1 PHE 347 3.10 8 0.16 0.63 + + + ++ *++ VdW C GLN 64 - CZ PHE 347 3.10 7 0.35 1.21 + + + ++ +* VdW C GLN 64 - HZ PHE 347 2.50 7 0.24 0.91 * + + ++ ++ VdW C GLN 64 - CE2 PHE 347 3.10 11 0.34 0.96 + + * ++++ ++++ VdW O GLN 64 - C LEU 65 2.80 7 0.16 0.48 + + + *+ ++ VdW O GLN 64 - HZ PHE 347 2.30 6 0.14 0.67 + + ++ *+ VdW O GLN 64 - CE2 PHE 347 2.90 6 0.14 0.70 + +* +++ VdW N LEU 65 - CD1 LEU 65 3.05 11 0.27 0.71 *+ + ++ + ++ ++ + VdW N LEU 65 - HD12 LEU 65 2.45 7 0.16 0.61 * + + ++++ VdW N LEU 65 - CZ PHE 347 3.05 11 0.36 0.95 +* + + + ++++ ++ VdW N LEU 65 - HZ PHE 347 2.45 8 0.22 0.88 * + + +++ ++ VdW N LEU 65 - CE2 PHE 347 3.05 9 0.29 0.93 ++ + * ++ + ++ VdW N LEU 65 - HE2 PHE 347 2.45 6 0.16 0.68 + * + + ++ VdW N LEU 65 - CD2 LEU 365 3.05 6 0.19 0.82 + + * +++ VdW H LEU 65 - CD1 LEU 65 2.55 6 0.19 0.91 + * + ++ + VdW H LEU 65 - HD12 LEU 65 1.95 6 0.17 0.86 + * + +++ VdW H LEU 65 - CD2 LEU 365 2.55 6 0.18 0.79 + + * + + + VdW CA LEU 65 - CZ PHE 347 3.20 9 0.16 0.49 ++ + + + +* ++ VdW CA LEU 65 - HZ PHE 347 2.60 8 0.19 0.56 * + + +++ ++ VdW CB LEU 65 - H ARG 66 2.55 9 0.16 0.40 ++++ *+ + + + VdW CB LEU 65 - CD1 LEU 365 3.20 7 0.12 0.45 + * + + + + + VdW HB2 LEU 65 - H ARG 66 1.95 6 0.13 0.50 +++* + + VdW HB2 LEU 65 - CG LEU 365 2.60 7 0.16 0.54 + + * ++++ VdW HB2 LEU 65 - CD1 LEU 365 2.60 7 0.20 0.77 + + *++ ++ VdW HB2 LEU 65 - CD2 LEU 365 2.60 6 0.15 0.85 + ++ * ++ VdW CG LEU 65 - CD1 LEU 365 3.20 9 0.23 1.13 ++ + + ++ + + * VdW CD1 LEU 65 - CB GLN 91 3.20 6 0.18 0.94 + + + + +* VdW CD1 LEU 65 - CD1 LEU 365 3.20 12 0.36 1.40 ++ ++ + ++ ++ ++* VdW CD1 LEU 65 - HD11 LEU 365 2.60 10 0.29 1.48 ++ ++ + ++ ++ * VdW CD1 LEU 65 - CD2 LEU 365 3.20 11 0.34 1.08 + + + +*++++ ++ VdW CD1 LEU 65 - HD21 LEU 365 2.60 6 0.13 0.57 + + *+ + + VdW CD1 LEU 65 - HD22 LEU 365 2.60 8 0.27 0.87 ++ * +++ ++ VdW CD1 LEU 65 - HD23 LEU 365 2.60 6 0.14 0.92 + + * + + + VdW HD11 LEU 65 - CD2 LEU 365 2.60 7 0.19 0.95 * +++ ++ + VdW HD12 LEU 65 - CD1 LEU 365 2.60 7 0.27 0.89 + + ++ * ++ VdW HD12 LEU 65 - HD11 LEU 365 2.00 6 0.16 0.71 ++ *+ + + VdW HD12 LEU 65 - CD2 LEU 365 2.60 7 0.20 1.10 +++ + + +* VdW CD2 LEU 65 - H GLN 91 2.55 6 0.13 0.75 + + + * + + VdW CD2 LEU 65 - CD1 LEU 365 3.20 15 0.40 1.01 +*++++++++++ + ++ VdW CD2 LEU 65 - HD11 LEU 365 2.60 7 0.23 1.02 +* ++ + + + VdW CD2 LEU 65 - HD12 LEU 365 2.60 8 0.24 1.02 +*+ + ++ + + VdW CD2 LEU 65 - CD2 LEU 365 3.20 10 0.35 1.16 + + + * +++ ++ + VdW CD2 LEU 65 - HD23 LEU 365 2.60 6 0.27 1.09 + *++ + + VdW HD22 LEU 65 - CD1 LEU 365 2.60 7 0.18 0.73 +++ + + * + VdW HD23 LEU 65 - CD1 LEU 365 2.60 7 0.21 0.84 +*+++ + + VdW HD23 LEU 65 - CD2 LEU 365 2.60 6 0.19 1.05 * + + + ++ VdW C LEU 65 - N GLU 67 2.95 11 0.25 0.58 + + +* +++ ++ ++ VdW C LEU 65 - H GLU 67 2.45 11 0.27 0.91 + + +* +++ ++ + + VdW C LEU 65 - CZ PHE 347 3.10 6 0.11 0.41 * + +++ + VdW C LEU 65 - HZ PHE 347 2.50 6 0.11 0.48 + + + * + + VdW C LEU 65 - HE2 PHE 347 2.50 6 0.16 0.82 + + * + + + VdW O LEU 65 - C ARG 66 2.80 18 0.34 0.48 ++++++++ ++++++++ *+ VdW O LEU 65 - N GLU 67 2.75 15 0.52 1.20 + + ++ +++++ +*++++ VdW CA ARG 66 - SG CYS 69 3.40 12 0.26 0.74 +++ ++ + *++ +++ VdW HA ARG 66 - SG CYS 69 2.80 12 0.35 1.14 ++ + ++ ++*++ ++ VdW CB ARG 66 - CA ARG 366 3.20 6 0.14 0.80 * + + + + + VdW CB ARG 66 - HA ARG 366 2.60 6 0.14 0.92 * + + + ++ VdW HB3 ARG 66 - C LEU 365 2.50 7 0.15 0.55 + + + + + +* VdW HB3 ARG 66 - N ARG 366 2.45 7 0.18 0.80 + * + + + ++ VdW HB3 ARG 66 - CA ARG 366 2.60 6 0.18 0.75 + + * +++ VdW CG ARG 66 - C LEU 365 3.10 6 0.17 0.85 + +*+++ VdW CD ARG 66 - HA LEU 365 2.60 6 0.15 0.77 + * + + ++ VdW CD ARG 66 - C LEU 365 3.10 6 0.09 0.35 + + +*+ + VdW CD ARG 66 - O LEU 365 2.90 7 0.20 0.77 + + + +*+ + VdW C ARG 66 - SG CYS 69 3.30 6 0.14 0.58 + ++ + + * VdW C ARG 66 - HZ2 TRP 372 2.50 6 0.14 0.65 + + + ++* VdW O ARG 66 - C GLU 67 2.80 9 0.19 0.47 * + +++ +++ + VdW O ARG 66 - N CYS 69 2.75 9 0.20 0.69 ++++ ++ *++ VdW O ARG 66 - CB CYS 69 2.90 10 0.25 0.62 +++ + + +++* + VdW O ARG 66 - HB2 CYS 69 2.30 10 0.32 0.92 + + + ++++* + + VdW O ARG 66 - SG CYS 69 3.10 9 0.29 1.24 +* +++++ + + VdW O ARG 66 - CZ2 TRP 372 2.90 9 0.25 0.94 + + + + *++++ VdW O ARG 66 - HZ2 TRP 372 2.30 9 0.32 1.14 + + + + *++++ VdW CB GLU 67 - H LEU 68 2.55 14 0.23 0.40 ++ + ++ + *+++++++ VdW CB GLU 67 - CG PHE 347 3.20 6 0.12 0.43 + ++ +*+ VdW CB GLU 67 - CD1 PHE 347 3.20 7 0.19 0.79 + + + + *++ VdW CB GLU 67 - CE2 PHE 347 3.20 6 0.12 0.52 + + ++ * + VdW CB GLU 67 - CD2 PHE 347 3.20 6 0.16 0.65 + *+ + + + VdW HB2 GLU 67 - CG PHE 347 2.60 8 0.19 0.70 + * + ++ +++ VdW HB2 GLU 67 - CD1 PHE 347 2.60 7 0.22 0.87 + + * + +++ VdW HB2 GLU 67 - CD2 PHE 347 2.60 7 0.21 0.89 ++ + + * + + VdW CG GLU 67 - N LEU 68 3.05 9 0.23 0.64 + + * + + ++++ VdW CG GLU 67 - H LEU 68 2.55 10 0.23 0.67 * + +++ + ++++ VdW CG GLU 67 - CG ARG 344 3.20 6 0.09 0.40 + + + *+ + VdW HG2 GLU 67 - H LEU 68 1.95 6 0.15 0.68 * + + + ++ VdW HG3 GLU 67 - N LEU 68 2.45 6 0.13 0.37 + ++ * + + VdW HG3 GLU 67 - HD2 ARG 344 2.00 6 0.09 0.46 * + + + + + VdW C GLU 67 - N CYS 69 2.95 8 0.16 0.57 + ++ + + + *+ VdW C GLU 67 - H CYS 69 2.45 6 0.16 0.71 + + + + +* VdW O GLU 67 - N CYS 69 2.75 7 0.20 1.02 + ++ + + *+ VdW O GLU 67 - NE1 TRP 372 2.75 6 0.11 0.48 + +++ * + VdW O LEU 68 - C CYS 69 2.80 10 0.22 0.48 + + *+ + ++ ++ + VdW CA CYS 69 - CE2 TRP 72 3.20 14 0.29 0.53 ++ + ++ + +++++*++ VdW CA CYS 69 - CZ2 TRP 72 3.20 12 0.22 0.44 *++++ +++++ + + VdW CB CYS 69 - CE2 TRP 72 3.20 13 0.44 1.27 + ++ + +++++++*+ VdW CB CYS 69 - CZ2 TRP 72 3.20 15 0.75 1.33 ++ + ++ + +++++++*+ VdW CB CYS 69 - CH2 TRP 72 3.20 11 0.22 0.54 + * ++ + ++ + +++ VdW CB CYS 69 - HZ2 TRP 72 2.60 13 0.39 0.89 ++ + ++ + * +++ +++ VdW HB2 CYS 69 - CZ2 TRP 372 2.60 10 0.19 0.68 + + + +*+++ + + VdW HB2 CYS 69 - HZ2 TRP 372 2.00 7 0.16 0.67 + + *+ ++ + VdW HB3 CYS 69 - CE2 TRP 72 2.60 12 0.46 1.74 + + + +++++++*+ VdW HB3 CYS 69 - CZ2 TRP 72 2.60 15 0.87 1.54 ++ + *+ + +++++++++ VdW HB3 CYS 69 - CH2 TRP 72 2.60 11 0.37 0.97 + + ++ + +++ +* + VdW HB3 CYS 69 - HZ2 TRP 72 2.00 13 0.34 1.00 ++ + ++ + * +++++ + VdW SG CYS 69 - CE2 TRP 72 3.40 6 0.12 0.78 + *+ + ++ VdW SG CYS 69 - NE1 TRP 72 3.25 7 0.14 0.80 ++ *+ + ++ VdW SG CYS 69 - CZ2 TRP 72 3.40 12 0.29 0.88 + + ++ + +*+ ++ ++ VdW SG CYS 69 - HE1 TRP 72 2.75 7 0.15 0.70 ++ *+ + ++ VdW SG CYS 69 - HZ2 TRP 72 2.80 11 0.33 0.98 + + * + +++ ++ ++ VdW C CYS 69 - CD2 TRP 72 3.10 13 0.23 0.47 + + ++ + +*++++++ VdW C CYS 69 - CE3 TRP 72 3.10 10 0.23 0.60 + + + * +++ + ++ VdW C CYS 69 - CE2 TRP 72 3.10 11 0.17 0.45 ++ + ++ + + ++ * + VdW O CYS 69 - C ARG 70 2.80 18 0.39 0.48 ++++ +++ +++++++++*+ VdW O CYS 69 - N GLN 71 2.75 17 0.43 0.84 ++++ ++ ++*++++++++ VdW O CYS 69 - N TRP 72 2.75 9 0.23 0.50 +++* +++ + + VdW O CYS 69 - CD2 TRP 72 2.90 16 0.45 0.79 ++ * +++++ ++++++++ VdW O CYS 69 - CE3 TRP 72 2.90 16 0.43 0.81 ++++ +++* ++++++++ VdW N ARG 70 - CZ3 TRP 72 3.05 6 0.15 0.62 + *++ ++ VdW N ARG 70 - CZ2 TRP 372 3.05 8 0.18 0.64 + + + + + ++ * VdW N ARG 70 - CH2 TRP 372 3.05 7 0.14 0.51 + + + + ++ * VdW H ARG 70 - CZ2 TRP 372 2.55 10 0.37 1.07 + + + + ++++ +* VdW H ARG 70 - CH2 TRP 372 2.55 8 0.17 0.61 ++ + + ++ +* VdW CA ARG 70 - CZ3 TRP 72 3.20 12 0.25 0.57 ++ ++ *++++ +++ VdW HA ARG 70 - CZ3 TRP 72 2.60 13 0.29 0.79 ++ + ++ *++++ +++ VdW HA ARG 70 - HZ3 TRP 72 2.00 6 0.13 0.44 ++ * ++ + VdW CB ARG 70 - CG TRP 372 3.20 6 0.12 0.54 + * +++ + VdW CB ARG 70 - CD2 TRP 372 3.20 10 0.29 0.78 + + + + ++*+ ++ VdW CB ARG 70 - CE2 TRP 372 3.20 9 0.19 0.67 * + + + + ++ ++ VdW HB2 ARG 70 - O TRP 372 2.30 9 0.23 0.80 ++ + + + +*+ + VdW HB3 ARG 70 - CD2 TRP 372 2.60 11 0.33 1.03 ++ + + + ++*+ ++ VdW HB3 ARG 70 - CE2 TRP 372 2.60 9 0.33 1.08 * + + + ++++ + VdW CG ARG 70 - N GLN 71 3.05 8 0.17 0.49 + + + ++++ * VdW HG2 ARG 70 - C ARG 70 2.50 10 0.17 0.45 + ++ + * ++++ + VdW HG2 ARG 70 - N GLN 71 2.45 10 0.26 0.66 + ++ + + ++++ * VdW CD ARG 70 - H GLN 71 2.55 7 0.11 0.34 + + +*++ + VdW C ARG 70 - N TRP 72 2.95 18 0.29 0.54 + ++ +++++*+++++++++ VdW C ARG 70 - H TRP 72 2.45 19 0.55 0.86 ++++ +++++*+++++++++ VdW O ARG 70 - N TRP 72 2.75 16 0.41 0.88 + + +++ +*+++++++++ VdW O ARG 70 - H TRP 72 1.80 13 0.28 0.59 + ++ +* ++++++++ VdW N TRP 72 - CE3 TRP 72 3.05 10 0.17 0.29 ++ ++ * +++ + + VdW N TRP 72 - HE3 TRP 72 2.45 13 0.23 0.43 + + ++ + *+++++++ VdW H TRP 72 - CE3 TRP 72 2.55 14 0.23 0.38 ++ + +* +++++ ++++ VdW H TRP 72 - HE3 TRP 72 1.95 12 0.30 0.59 + ++ + *+++++++ VdW CA TRP 72 - CE3 TRP 72 3.20 15 0.20 0.24 + ++ *+ ++ ++++++++ VdW CA TRP 72 - HE3 TRP 72 2.60 16 0.23 0.29 + +++ *+ ++ ++++++++ VdW CD2 TRP 72 - C TRP 72 3.10 13 0.21 0.38 * +++ ++ +++++ ++ VdW CE3 TRP 72 - C TRP 72 3.10 20 0.61 0.90 ++++*+++++++++++++++ VdW CE3 TRP 72 - N LEU 73 3.05 19 0.52 1.02 +++++++++ +*++++++++ VdW CE3 TRP 72 - CB LEU 73 3.20 17 0.35 0.56 ++ +*+++ + +++++++++ VdW CE3 TRP 72 - HB2 LEU 73 2.60 15 0.41 0.83 ++ + +++ + ++++ +++* VdW NE1 TRP 72 - CA LEU 87 3.05 8 0.15 0.55 + * + +++ ++ VdW NE1 TRP 72 - HA LEU 87 2.45 8 0.24 0.83 + + ++*+ ++ VdW NE1 TRP 72 - O LEU 87 2.75 6 0.15 0.70 + + +* ++ VdW HE3 TRP 72 - C TRP 72 2.50 20 0.74 1.19 ++++*+++++++++++++++ VdW HE3 TRP 72 - N LEU 73 2.45 20 0.83 1.06 +++++++++++*++++++++ VdW HE3 TRP 72 - H LEU 73 1.95 12 0.22 0.53 + ++ ++*++ ++++ VdW CZ3 TRP 72 - CB LEU 73 3.20 18 0.55 0.93 ++++*+++ ++ ++++++++ VdW CZ3 TRP 72 - HB2 LEU 73 2.60 17 0.66 1.22 ++++++++ + ++++ ++*+ VdW CZ3 TRP 72 - CD1 LEU 73 3.20 9 0.23 0.75 ++* ++ + ++ + VdW CZ2 TRP 72 - CD1 LEU 87 3.20 7 0.19 0.79 + *+++ ++ VdW CZ2 TRP 72 - HH2 TRP 372 2.60 6 0.11 0.36 ++ + ++ * VdW HE1 TRP 72 - C LEU 87 2.45 6 0.12 0.56 + + +* ++ VdW HZ3 TRP 72 - CB LEU 73 2.60 14 0.35 1.14 + ++*++ ++ ++++ ++ VdW HZ3 TRP 72 - HB2 LEU 73 2.00 9 0.30 0.96 +++++ + *++ VdW HZ3 TRP 72 - HB3 LEU 73 2.00 7 0.21 0.81 + + * + + ++ VdW HZ3 TRP 72 - HB2 LEU 373 2.00 7 0.13 0.52 +* + ++ ++ VdW CH2 TRP 72 - CD1 LEU 73 3.20 6 0.15 0.78 + + + + * + VdW CH2 TRP 72 - HD11 LEU 73 2.60 6 0.15 0.81 + + + * ++ VdW CH2 TRP 72 - CZ3 TRP 372 3.20 13 0.30 0.88 ++ + ++ *+ ++++++ VdW CH2 TRP 72 - CH2 TRP 372 3.20 16 0.47 0.89 ++++* +++ ++++++++ VdW CH2 TRP 72 - HH2 TRP 372 2.60 14 0.44 1.12 ++++* + ++ ++++ ++ VdW HH2 TRP 72 - CZ3 TRP 372 2.60 13 0.42 1.27 ++ + +++ *+ ++ +++ VdW HH2 TRP 72 - HZ3 TRP 372 2.00 7 0.16 0.53 + + ++ * + + VdW HH2 TRP 72 - CH2 TRP 372 2.60 16 0.43 0.97 ++ + ++* ++++++++++ VdW HH2 TRP 72 - HH2 TRP 372 2.00 11 0.34 0.87 ++ + + ++ + +* ++ VdW HA LEU 73 - CD2 LEU 84 2.60 8 0.23 0.82 + + +++ + +* VdW HA LEU 73 - HD22 LEU 84 2.00 6 0.13 0.73 + + ++ + * VdW CB LEU 73 - H ARG 74 2.55 6 0.14 0.38 + + ++* + VdW CB LEU 73 - HG LEU 373 2.60 7 0.23 0.94 + + ++ + *+ VdW HB3 LEU 73 - HG LEU 373 2.00 6 0.19 0.91 + + + + +* VdW CG LEU 73 - CG LEU 373 3.20 9 0.16 0.55 ++ ++ ++ + *+ VdW CG LEU 73 - HG LEU 373 2.60 6 0.19 1.01 + ++ + *+ VdW CG LEU 73 - CD1 LEU 373 3.20 7 0.20 0.76 ++ +++ +* VdW CG LEU 73 - CD2 LEU 373 3.20 6 0.13 0.45 + ++* + + VdW CD1 LEU 73 - CG LEU 373 3.20 7 0.19 0.75 + +++ + *+ VdW CD1 LEU 73 - HG LEU 373 2.60 6 0.20 0.98 + ++ * ++ VdW CD1 LEU 73 - CD1 LEU 373 3.20 11 0.26 0.60 ++* ++ ++ ++ ++ VdW CD1 LEU 73 - CD2 LEU 373 3.20 6 0.18 0.74 + + + + * + VdW CD1 LEU 73 - HD21 LEU 373 2.60 7 0.16 0.70 ++ + * + + + VdW CD2 LEU 73 - CD1 LEU 84 3.20 8 0.15 0.45 + + +++ + *+ VdW CD2 LEU 73 - CG LEU 373 3.20 6 0.09 0.41 * ++ + ++ VdW CD2 LEU 73 - CD1 LEU 373 3.20 8 0.27 0.95 ++ *+ +++ + VdW CD2 LEU 73 - HD12 LEU 373 2.60 6 0.16 1.02 ++ *+ + + VdW CD2 LEU 73 - CD2 LEU 373 3.20 9 0.26 0.86 ++* + +++ + + VdW HD21 LEU 73 - CD1 LEU 373 2.60 6 0.16 0.84 + + +* + + VdW HD21 LEU 73 - CD2 LEU 373 2.60 6 0.16 0.82 + + *+ + + VdW O LEU 73 - CB ARG 74 2.90 8 0.21 0.59 +*+ +++++ VdW O LEU 73 - HB3 ARG 74 2.30 7 0.24 0.85 +++ +* + + VdW O LEU 73 - C ARG 74 2.80 8 0.16 0.47 + + +++* ++ VdW HA ARG 74 - CD PRO 75 2.60 18 0.25 0.31 *+++ ++++++++++++++ VdW HA ARG 74 - O LEU 373 2.30 6 0.14 0.70 + + + * + + VdW C ARG 74 - O LEU 373 2.80 6 0.21 0.99 + * + ++ + VdW O ARG 74 - CG2 VAL 77 2.90 7 0.13 0.76 + + * + + + + VdW CG GLU 76 - O GLU 76 2.90 6 0.12 0.54 *+ + + + + VdW O VAL 77 - CB ARG 78 2.90 6 0.12 0.57 + + + + * + VdW O VAL 77 - CG ARG 78 2.90 9 0.18 0.51 +* + ++ + + + + VdW CB ARG 78 - N SER 79 2.85 7 0.16 0.21 * + + ++ ++ VdW CB ARG 78 - H SER 79 2.55 17 0.31 0.40 * +++++ +++ ++++++++ VdW HB3 ARG 78 - H SER 79 1.95 9 0.15 0.47 + +*++++++ VdW CB SER 79 - CB MET 83 3.20 6 0.09 0.25 * + ++ ++ VdW CA GLU 81 - HG LEU 84 2.60 9 0.17 0.52 + + + ++* + ++ VdW HA GLU 81 - CG LEU 84 2.60 9 0.23 0.54 + + + ++* + ++ VdW HA GLU 81 - HG LEU 84 2.00 11 0.28 0.81 + + + + ++*++ ++ VdW C GLU 81 - H MET 83 2.45 7 0.13 0.36 + + * + ++ + VdW O GLU 81 - HG LEU 84 2.30 7 0.17 0.56 + + + + *+ + VdW CG MET 83 - C MET 83 2.90 6 0.11 0.24 * + + + ++ VdW O MET 83 - CD1 LEU 86 2.90 14 0.27 0.60 + * ++ ++ ++++++++ VdW N LEU 84 - CD2 LEU 84 3.05 11 0.21 0.57 + ++ * ++ +++++ VdW H LEU 84 - CG LEU 84 2.55 8 0.16 0.35 + + *+ + ++ + VdW H LEU 84 - CD2 LEU 84 2.55 6 0.15 0.57 + * + + + + VdW CA LEU 84 - CD2 LEU 87 3.20 10 0.19 0.55 ++ + ++ +++* + VdW HA LEU 84 - CD2 LEU 87 2.60 9 0.31 0.96 ++ + + + +* ++ VdW HA LEU 84 - HD21 LEU 87 2.00 8 0.18 0.67 + * + + ++ ++ VdW CB LEU 84 - HD23 LEU 87 2.60 6 0.10 0.47 ++* +++ VdW HB3 LEU 84 - HD23 LEU 87 2.00 6 0.12 0.64 +++ ++* VdW C LEU 84 - H LEU 86 2.45 6 0.14 0.59 + *++ + + VdW O LEU 84 - CG LEU 87 2.90 8 0.15 0.41 ++++ + + *+ VdW O LEU 84 - HG LEU 87 2.30 10 0.21 0.72 *+++ ++ + +++ VdW H LEU 86 - CD1 LEU 86 2.55 7 0.14 0.60 + * + ++ + + VdW H LEU 86 - HD11 LEU 86 1.95 7 0.13 0.44 + + + + + *+ VdW H LEU 86 - HD13 LEU 86 1.95 6 0.12 0.60 + + + +* + VdW CD1 LEU 86 - C LEU 86 3.10 9 0.20 0.50 +++ ++*+ ++ VdW O LEU 86 - C LEU 87 2.80 6 0.12 0.44 + + + * ++ VdW O LEU 86 - N VAL 88 2.75 6 0.12 0.98 ++ + + * + VdW CA LEU 87 - CD2 LEU 87 3.00 7 0.12 0.27 +++ + + +* VdW CD1 LEU 87 - CG LEU 387 3.20 6 0.14 0.76 + * + + + + VdW CD1 LEU 87 - CD1 LEU 387 3.20 10 0.31 0.86 +++ * ++++ ++ VdW CD1 LEU 87 - HD11 LEU 387 2.60 7 0.13 0.63 + + + +*+ + VdW CD1 LEU 87 - CD2 LEU 387 3.20 6 0.22 1.01 * + + + ++ VdW CD1 LEU 87 - HD23 LEU 387 2.60 6 0.12 0.61 + * + ++ + VdW HD11 LEU 87 - CD1 LEU 387 2.60 7 0.14 0.53 ++ +* + ++ VdW HD12 LEU 87 - CD1 LEU 387 2.60 6 0.11 0.54 * + + ++ + VdW HD13 LEU 87 - CD1 LEU 387 2.60 7 0.15 0.52 ++ + + + +* VdW CB VAL 88 - H LEU 89 2.55 10 0.15 0.38 + ++++ + *+ ++ VdW CB VAL 88 - C VAL 388 3.10 7 0.20 0.95 + + + +* + + VdW HB VAL 88 - C VAL 388 2.50 7 0.20 1.31 + + + +* + + VdW CG1 VAL 88 - C LEU 387 3.10 7 0.26 1.29 * + + + + ++ VdW CG1 VAL 88 - N VAL 388 3.05 7 0.26 1.37 + + * + + ++ VdW CG1 VAL 88 - CA VAL 388 3.20 9 0.26 0.89 + + + * + ++ ++ VdW CG1 VAL 88 - CG1 VAL 388 3.20 6 0.17 0.80 ++ ++ + * VdW CG1 VAL 88 - C VAL 388 3.10 6 0.17 0.95 + + + * + + VdW HG11 VAL 88 - CA VAL 388 2.60 6 0.24 1.24 + * + + + + VdW CG2 VAL 88 - O LEU 386 2.90 7 0.28 0.98 + + * + + ++ VdW CG2 VAL 88 - N VAL 388 3.05 7 0.24 1.11 * + + ++ ++ VdW CG2 VAL 88 - H VAL 388 2.55 6 0.17 1.01 * + + + ++ VdW C VAL 88 - N GLU 90 2.95 11 0.28 0.73 +*+++ + +++ ++ VdW C VAL 88 - H GLU 90 2.45 10 0.31 1.06 + +* ++ +++ + + VdW C VAL 88 - CG1 VAL 388 3.10 6 0.22 1.11 + + * + + + VdW O VAL 88 - C LEU 89 2.80 12 0.26 0.48 + ++++ + * +++ ++ VdW O VAL 88 - N GLU 90 2.75 15 0.63 1.41 + +++*+++ +++++ ++ VdW O VAL 88 - H GLU 90 1.80 8 0.27 1.23 +*+++ +++ VdW N LEU 89 - C LEU 389 2.95 7 0.22 0.82 + + + ++ + * VdW N LEU 89 - N GLU 390 2.90 7 0.17 0.73 + + +* + ++ VdW CA LEU 89 - C LEU 389 3.10 6 0.14 0.69 + + ++ + * VdW HA LEU 89 - CB PHE 392 2.60 6 0.21 1.16 * + +++ + VdW HA LEU 89 - HB3 PHE 392 2.00 6 0.20 1.02 + +* ++ + VdW CB LEU 89 - HA LEU 389 2.60 6 0.17 1.06 * + ++ ++ VdW HB3 LEU 89 - CA LEU 389 2.60 7 0.21 1.09 + + + +* ++ VdW CD2 LEU 89 - CD2 LEU 389 3.20 7 0.14 0.61 ++ + ++ * + VdW O LEU 89 - N GLU 390 2.75 6 0.17 0.86 ++ + * + + VdW CA GLU 90 - CB GLU 390 3.20 6 0.17 0.85 * + + + + + VdW CA GLU 90 - HB3 GLU 390 2.60 6 0.20 1.08 + + + + * + VdW CB GLU 90 - CA GLU 390 3.20 6 0.14 0.62 + *+ + + + VdW CB GLU 90 - C GLU 390 3.10 6 0.21 0.99 + +* + + + VdW HB3 GLU 90 - C GLU 390 2.50 6 0.18 0.77 + *+ + + + VdW C GLU 90 - HB3 GLU 390 2.50 6 0.15 0.68 + + *+ + + VdW C GLU 90 - H GLN 391 2.45 7 0.21 0.76 + + ++* + + VdW N GLN 91 - CA GLN 391 3.05 7 0.16 0.61 + +* + + + + VdW H GLN 91 - CA GLN 391 2.55 6 0.20 0.95 + +* + + + VdW CA GLN 91 - H GLN 391 2.55 8 0.25 1.08 + + +++ ++* VdW CA GLN 91 - CA GLN 391 3.20 7 0.13 0.38 + + ++ ++ * VdW CA GLN 91 - CG GLN 391 3.20 7 0.16 0.66 + + + + ++ * VdW HA GLN 91 - CB GLN 391 2.60 8 0.20 1.28 + + + + + *+ + VdW HA GLN 91 - CG GLN 391 2.60 6 0.19 0.97 + + + ++ * VdW CB GLN 91 - HA GLN 391 2.60 6 0.19 0.87 + + * + + + VdW CB GLN 91 - CB GLN 391 3.20 6 0.15 0.78 + + * + + + VdW CB GLN 91 - CG GLN 391 3.20 6 0.11 0.42 ++* + + + VdW CG GLN 91 - CB GLN 391 3.20 6 0.15 0.69 * + + ++ + VdW CG GLN 91 - CG GLN 391 3.20 7 0.18 0.64 ++ +* + + + VdW CG GLN 91 - HG3 GLN 391 2.60 6 0.18 0.87 ++ ++ * + VdW CG GLN 91 - CD GLN 391 3.10 6 0.13 0.61 + ++ + +* VdW HG2 GLN 91 - CD GLN 391 2.50 6 0.21 0.86 * ++ + + + VdW HG3 GLN 91 - C GLN 91 2.50 9 0.19 0.50 + + ++ * ++ + + VdW C GLN 91 - N PHE 392 2.95 7 0.23 0.82 ++ * + ++ + VdW O GLN 91 - C PHE 92 2.80 7 0.16 0.48 + + + + + * + VdW N PHE 92 - C GLU 390 2.95 6 0.28 1.37 + + * + ++ VdW N PHE 92 - N GLN 391 2.90 6 0.33 1.55 + + + + +* VdW N PHE 92 - CA GLN 391 3.05 7 0.30 1.07 + * ++ + ++ VdW N PHE 92 - HA GLN 391 2.45 6 0.18 0.98 * + ++ + + VdW N PHE 92 - C GLN 391 2.95 11 0.33 0.86 + *+ ++++ ++ ++ VdW N PHE 92 - O GLN 391 2.75 7 0.26 1.08 + +* +++ + VdW N PHE 92 - N PHE 392 2.90 13 0.35 0.97 ++ +++ +++++ *+ + VdW N PHE 92 - CA PHE 392 3.05 11 0.32 1.33 +++++ + +++ +* VdW N PHE 92 - HA PHE 392 2.45 6 0.22 1.59 + + + + + * VdW H PHE 92 - C GLU 390 2.45 6 0.31 1.51 + + * + ++ VdW H PHE 92 - C GLN 391 2.45 7 0.27 1.33 + *+ + + + + VdW CA PHE 92 - C GLU 390 3.10 6 0.19 1.00 + + * + ++ VdW CA PHE 92 - CA GLN 391 3.20 6 0.13 0.95 + + * + ++ VdW CA PHE 92 - C GLN 391 3.10 8 0.20 1.07 + ++ +*+ ++ VdW CA PHE 92 - O GLN 391 2.90 6 0.17 0.87 ++ ++* + VdW CA PHE 92 - N PHE 392 3.05 10 0.39 1.61 + + + +*+ ++ ++ VdW CA PHE 92 - H PHE 392 2.55 6 0.34 1.84 + + + + +* VdW CA PHE 92 - CA PHE 392 3.20 14 0.49 1.25 + ++++ * ++++ + ++ + VdW CA PHE 92 - HA PHE 392 2.60 8 0.40 1.69 + ++ * + + + + VdW CA PHE 92 - CB PHE 392 3.20 7 0.29 1.31 ++ + + *+ + VdW CA PHE 92 - C PHE 392 3.10 11 0.27 0.79 * ++++ + ++ + ++ VdW CA PHE 92 - O PHE 392 2.90 6 0.22 1.23 + + *+ ++ VdW HA PHE 92 - N PHE 392 2.45 7 0.34 1.50 + + + * + ++ VdW HA PHE 92 - H PHE 392 1.95 6 0.26 1.35 + + + * ++ VdW CB PHE 92 - H LEU 93 2.55 10 0.18 0.40 ++++ + + + ++ * VdW CB PHE 92 - CA PHE 392 3.20 10 0.50 1.36 + ++ + +*++++ VdW CB PHE 92 - HA PHE 392 2.60 10 0.55 1.49 + +* + +++ ++ + VdW CB PHE 92 - CB PHE 392 3.20 8 0.20 0.87 + + * + ++ + + VdW CB PHE 92 - CD1 PHE 392 3.20 6 0.16 1.08 *+ + + + + VdW CB PHE 92 - HD1 PHE 392 2.60 6 0.20 1.22 +*+ + + + VdW CB PHE 92 - C PHE 392 3.10 7 0.25 1.24 + ++ *+ ++ VdW HB3 PHE 92 - CA PHE 392 2.60 9 0.52 1.68 + ++ + +*+ ++ VdW HB3 PHE 92 - HA PHE 392 2.00 8 0.38 1.32 + ++ +++ +* VdW HB3 PHE 92 - CB PHE 392 2.60 9 0.28 1.01 + ++ * +++ + + VdW CG PHE 92 - N LEU 93 3.05 10 0.27 0.75 ++*+++ + + ++ VdW CG PHE 92 - H LEU 93 2.55 10 0.30 1.06 ++++++ + + *+ VdW CG PHE 92 - CA PHE 392 3.20 6 0.20 1.06 ++++*+ VdW CG PHE 92 - CG PHE 392 3.20 6 0.17 0.74 + * + ++ + VdW CG PHE 92 - CD1 PHE 392 3.20 9 0.37 1.34 +++ + + * ++ + VdW CG PHE 92 - HD1 PHE 392 2.60 8 0.25 1.25 +++ + * ++ + VdW CD1 PHE 92 - CG PHE 392 3.20 11 0.43 1.12 + + +++++ * ++ + VdW CD1 PHE 92 - CD1 PHE 392 3.20 12 0.46 1.35 +* +++++ + + ++ + VdW CD1 PHE 92 - CE1 PHE 392 3.20 7 0.26 1.23 +* + + ++ + VdW CD1 PHE 92 - CD2 PHE 392 3.20 8 0.30 1.27 * + +++++ + VdW CD1 PHE 92 - N LEU 393 3.05 7 0.21 1.45 + ++ * + ++ VdW HD1 PHE 92 - CG PHE 392 2.60 8 0.31 1.10 + + *+ + ++ + VdW HD1 PHE 92 - CD1 PHE 392 2.60 6 0.24 1.52 ++ + *+ + VdW CE1 PHE 92 - CD1 PHE 392 3.20 10 0.30 1.21 + *+++ + +++ + VdW CE1 PHE 92 - CE1 PHE 392 3.20 11 0.43 1.17 ++ +++* ++++ + VdW CE1 PHE 92 - CZ PHE 392 3.20 9 0.32 0.98 + * +++++ + + VdW CE1 PHE 92 - CE2 PHE 392 3.20 9 0.26 1.02 + + *++++ + + VdW HE1 PHE 92 - CZ PHE 392 2.60 8 0.23 0.95 + + *+ ++ + + VdW HE1 PHE 92 - CE2 PHE 392 2.60 8 0.19 0.79 + + +* ++ + + VdW CZ PHE 92 - CE1 PHE 392 3.20 10 0.35 1.23 + ++*+ + ++ + + VdW CZ PHE 92 - CZ PHE 392 3.20 6 0.17 0.97 + *+++ + VdW CE2 PHE 92 - CD1 PHE 392 3.20 7 0.22 1.27 +++ ++ +* VdW CE2 PHE 92 - CE1 PHE 392 3.20 7 0.25 1.15 + +++ + +* VdW CE2 PHE 92 - CE2 PHE 392 3.20 7 0.19 1.07 * ++ +++ + VdW CD2 PHE 92 - CA PHE 392 3.20 6 0.20 1.60 +*+++ + VdW CD2 PHE 92 - CG PHE 392 3.20 7 0.28 1.30 + +*+ ++ + VdW CD2 PHE 92 - CD1 PHE 392 3.20 7 0.31 1.65 ++ + + * ++ VdW CD2 PHE 92 - CE1 PHE 392 3.20 6 0.19 0.99 ++ + * ++ VdW CD2 PHE 92 - CD2 PHE 392 3.20 7 0.21 1.26 * ++ +++ + VdW CD2 PHE 92 - C PHE 392 3.10 6 0.21 1.17 ++* +++ VdW C PHE 92 - N GLY 94 2.95 8 0.18 0.53 + + +++*+ + VdW C PHE 92 - H GLY 94 2.45 10 0.28 0.83 + +++++*+ ++ VdW C PHE 92 - N PHE 392 2.95 6 0.26 2.04 + + ++ + * VdW C PHE 92 - CA PHE 392 3.10 11 0.53 1.80 ++ + * + ++ + ++ + VdW C PHE 92 - CB PHE 392 3.10 7 0.28 1.93 ++ + + *+ + VdW C PHE 92 - CG PHE 392 3.10 6 0.23 1.49 ++ + + *+ VdW C PHE 92 - C PHE 392 3.00 14 0.67 1.66 ++ + * ++++++ ++++ VdW C PHE 92 - O PHE 392 2.80 11 0.51 1.59 + + + +++ *+ +++ VdW C PHE 92 - N LEU 393 2.95 8 0.34 1.46 *+ + ++ ++ + VdW C PHE 92 - N GLY 394 2.95 9 0.32 1.20 + +++ + * ++ + VdW C PHE 92 - H GLY 394 2.45 10 0.39 1.18 + +++ + * + ++ + VdW O PHE 92 - C LEU 93 2.80 6 0.12 0.48 +* + + + + VdW O PHE 92 - N GLY 94 2.75 10 0.35 1.04 + + ++ +++++ * VdW O PHE 92 - H GLY 94 1.80 7 0.23 0.84 + + ++ ++ * VdW O PHE 92 - CA PHE 392 2.90 7 0.37 2.11 ++ + + + + * VdW O PHE 92 - C PHE 392 2.80 10 0.50 1.78 ++ * + + ++ ++ + VdW O PHE 92 - O PHE 392 2.60 11 0.47 1.29 ++ + + * ++++ ++ VdW O PHE 92 - N LEU 393 2.75 6 0.20 0.98 ++ + + + * VdW O PHE 92 - N GLY 394 2.75 8 0.24 0.84 + + + + + *+ + VdW O PHE 92 - CA GLY 394 2.90 7 0.30 1.12 + ++ * +++ VdW N LEU 93 - N PHE 392 2.90 7 0.34 1.51 + + * ++ + + VdW N LEU 93 - CA PHE 392 3.05 7 0.50 2.39 * + + ++ ++ VdW N LEU 93 - C PHE 392 2.95 11 0.67 2.39 +++ + +++ ++ +* VdW N LEU 93 - O PHE 392 2.75 9 0.44 1.58 + + +++ *+ ++ VdW N LEU 93 - N LEU 393 2.90 10 0.41 1.67 ++ + + + + + +* + VdW N LEU 93 - CA LEU 393 3.05 10 0.26 0.93 *+++++ + +++ VdW N LEU 93 - N GLY 394 2.90 6 0.34 1.63 + +* + + + VdW H LEU 93 - CA PHE 392 2.55 6 0.44 1.99 + + + ++ * VdW H LEU 93 - C PHE 392 2.45 10 0.34 1.31 ++ + +++ ++ +* VdW CA LEU 93 - CA PHE 392 3.20 6 0.17 1.09 * + + + ++ VdW CA LEU 93 - C PHE 392 3.10 8 0.48 1.96 * + + ++ ++ + VdW CA LEU 93 - O PHE 392 2.90 7 0.34 1.96 + + + ++ *+ VdW CA LEU 93 - N LEU 393 3.05 8 0.46 2.35 + + ++ + +* + VdW CA LEU 93 - CA LEU 393 3.20 14 0.46 1.92 ++ + ++ + ++++ +*++ VdW CA LEU 93 - CB LEU 393 3.20 7 0.26 1.00 + * ++ + ++ VdW CA LEU 93 - C LEU 393 3.10 13 0.42 1.20 + ++++ +++ ++ *++ VdW CA LEU 93 - N GLY 394 3.05 14 0.59 1.44 + *+++ ++++++ +++ VdW CA LEU 93 - H GLY 394 2.55 10 0.36 1.24 ++ + + +++ ++* VdW HA LEU 93 - C PHE 392 2.50 7 0.20 1.10 * + + ++ + + VdW HA LEU 93 - N LEU 393 2.45 8 0.42 1.92 * + ++++ + + VdW HA LEU 93 - CA LEU 393 2.60 11 0.49 1.84 ++ + +++++ *++ VdW HA LEU 93 - CB LEU 393 2.60 9 0.31 0.99 + + +++ + *++ VdW HA LEU 93 - C LEU 393 2.50 11 0.36 1.24 ++ + +++*+ +++ VdW HA LEU 93 - N GLY 394 2.45 8 0.25 0.97 + + ++++ *+ VdW CB LEU 93 - CA LEU 393 3.20 9 0.32 1.04 ++*++ + + ++ VdW CB LEU 93 - HA LEU 393 2.60 8 0.33 1.27 +++*++ + + VdW CB LEU 93 - CB LEU 393 3.20 7 0.18 0.76 + + + + * + + VdW CB LEU 93 - C LEU 393 3.10 7 0.24 1.12 ++*+ + ++ VdW CB LEU 93 - N GLY 394 3.05 6 0.19 1.07 ++ + +* + VdW CD1 LEU 93 - CB ALA 115 3.20 9 0.20 0.85 + + + +*+++ + VdW C LEU 93 - O PHE 392 2.80 6 0.35 2.00 ++ + + *+ VdW C LEU 93 - C LEU 393 3.00 7 0.24 1.35 + ++ + + + * VdW C LEU 93 - N GLY 394 2.95 14 0.58 1.48 + ++++ ++++++ *++ VdW C LEU 93 - H GLY 394 2.45 8 0.33 1.69 * + + + ++++ VdW C LEU 93 - CA GLY 394 3.10 13 0.53 1.84 + *+++ +++ ++ +++ VdW C LEU 93 - HA2 GLY 394 2.50 6 0.23 1.38 + *++ + + VdW O LEU 93 - CA GLY 394 2.90 7 0.21 0.74 ++ * + + + + VdW N GLY 94 - O GLN 391 2.75 6 0.19 1.38 + + + + + * VdW N GLY 94 - C PHE 392 2.95 6 0.24 1.35 + + + *+ + VdW N GLY 94 - O PHE 392 2.75 7 0.38 1.73 ++ * + ++ + VdW N GLY 94 - C LEU 393 2.95 7 0.33 1.27 ++++++ * VdW N GLY 94 - N GLY 394 2.90 17 0.56 1.37 ++++++++ +*++++ +++ VdW N GLY 94 - CA GLY 394 3.05 12 0.68 2.06 + *++ +++++++ + VdW N GLY 94 - HA2 GLY 394 2.45 6 0.41 1.95 + *++ + + VdW N GLY 94 - HA3 GLY 394 2.45 10 0.42 1.29 + + + +++++* + VdW H GLY 94 - C LEU 393 2.45 7 0.34 1.10 +++++* + VdW H GLY 94 - CA GLY 394 2.55 8 0.38 1.60 + +++ + * + + VdW H GLY 94 - HA2 GLY 394 1.95 6 0.14 0.67 + +* + + + VdW H GLY 94 - HA3 GLY 394 1.95 7 0.13 0.53 + + + + ++ * VdW CA GLY 94 - CA GLY 394 3.20 14 0.50 1.10 ++++*++ ++++++ + VdW CA GLY 94 - HA2 GLY 394 2.60 6 0.30 1.40 + + ++ * + VdW CA GLY 94 - HA3 GLY 394 2.60 9 0.37 1.06 + + + + *+++ + VdW C GLY 94 - CA GLY 394 3.10 9 0.23 0.98 + +++ + *+ + + VdW C GLY 94 - HA2 GLY 394 2.50 6 0.15 0.86 + ++ * + + VdW C GLY 94 - HA3 GLY 394 2.50 7 0.20 1.18 + + +*++ + VdW N ALA 95 - CA GLY 394 3.05 10 0.35 0.93 + +++ + * + ++ + VdW N ALA 95 - HA3 GLY 394 2.45 10 0.30 1.22 + + + + + *+++ + VdW N ALA 95 - C GLY 394 2.95 9 0.19 0.64 * ++ +++++ + VdW H ALA 95 - CA GLY 394 2.55 7 0.28 1.06 * +++ + + + VdW H ALA 95 - HA3 GLY 394 1.95 7 0.26 1.08 +++ + * + + VdW CB ALA 95 - CB ALA 395 3.20 6 0.15 0.59 + ++++ * VdW C ALA 95 - O GLY 394 2.80 8 0.23 0.88 +++ + + +* + VdW O ALA 95 - O LEU 96 2.60 6 0.19 0.92 * + + ++ + VdW N LEU 96 - C GLY 394 2.95 10 0.39 1.48 + + + ++*+++ + VdW N LEU 96 - O GLY 394 2.75 12 0.59 1.69 + ++* +++++++ + VdW N LEU 96 - N ALA 395 2.90 6 0.18 0.92 + + *++ + VdW N LEU 96 - CA ALA 395 3.05 8 0.30 1.20 + + +++* ++ VdW N LEU 96 - HA ALA 395 2.45 8 0.32 1.37 + + + +++* + VdW H LEU 96 - C GLY 394 2.45 13 0.51 1.57 + ++* ++++++++ + VdW H LEU 96 - CA ALA 395 2.55 7 0.30 1.16 + +++* ++ VdW CA LEU 96 - O GLY 394 2.90 7 0.30 1.50 + + +*++ + VdW CA LEU 96 - CA ALA 395 3.20 8 0.21 0.92 + + ++* + ++ VdW CA LEU 96 - HA ALA 395 2.60 8 0.34 1.37 + + + +++* + VdW CB LEU 96 - CD PRO 97 3.20 11 0.28 0.86 * ++ +++ ++++ + VdW CB LEU 96 - HD2 PRO 97 2.60 12 0.33 0.89 * ++ +++ +++++ + VdW CB LEU 96 - O GLY 394 2.90 6 0.22 0.97 + ++++ * VdW CB LEU 96 - CA ALA 395 3.20 10 0.30 0.95 + ++ +++* + ++ VdW CB LEU 96 - HA ALA 395 2.60 9 0.28 1.06 + + * ++++++ VdW CB LEU 96 - C ALA 395 3.10 7 0.33 2.13 ++ +++ + * VdW CB LEU 96 - N LEU 396 3.05 13 0.52 1.94 + ++ +++++++ + +* VdW CB LEU 96 - H LEU 396 2.55 15 0.52 1.31 + +++ +*+++++++ ++ VdW HB2 LEU 96 - CD PRO 97 2.60 9 0.33 1.23 * ++ +++ + + + VdW HB2 LEU 96 - HD2 PRO 97 2.00 12 0.45 1.16 + +++ *++++++ + VdW HB3 LEU 96 - CA ALA 395 2.60 10 0.30 0.98 + +++ ++ +++* VdW HB3 LEU 96 - HA ALA 395 2.00 9 0.23 1.08 + ++* + ++++ VdW HB3 LEU 96 - C ALA 395 2.50 10 0.31 1.37 + + ++ +++* + + VdW HB3 LEU 96 - N LEU 396 2.45 14 0.52 1.21 + +++ +++*+++ + ++ VdW HB3 LEU 96 - H LEU 396 1.95 12 0.49 1.38 + ++ +++*++++ + VdW CG LEU 96 - NE2 GLN 101 3.05 6 0.17 0.88 ++* + + + VdW CG LEU 96 - HE21 GLN 101 2.55 6 0.15 0.64 ++ + * + + VdW CG LEU 96 - C GLY 394 3.10 8 0.27 1.30 + ++++ ++ * VdW CG LEU 96 - O GLY 394 2.90 8 0.29 0.92 + + + ++++ * VdW CG LEU 96 - N ALA 395 3.05 7 0.23 0.92 + + + ++ *+ VdW CG LEU 96 - CA ALA 395 3.20 7 0.18 1.09 + ++ + + +* VdW CG LEU 96 - N LEU 396 3.05 7 0.27 1.43 ++ + + + +* VdW CG LEU 96 - H LEU 396 2.55 12 0.28 1.05 + +++ +++ *++ ++ VdW HG LEU 96 - C GLY 394 2.50 8 0.28 1.73 + ++++ ++ * VdW HG LEU 96 - O GLY 394 2.30 8 0.29 0.92 + + * ++++ + VdW CD1 LEU 96 - CD PRO 97 3.20 6 0.11 0.47 +++* + + VdW CD1 LEU 96 - HD2 PRO 97 2.60 7 0.18 0.71 *+++ + + + VdW CD1 LEU 96 - HG13 ILE 100 2.60 6 0.16 0.66 + + *+++ VdW CD1 LEU 96 - NE2 GLN 101 3.05 6 0.17 0.80 + + ++ *+ VdW CD2 LEU 96 - NE2 GLN 101 3.05 7 0.16 0.51 * +++ ++ + VdW CD2 LEU 96 - HE21 GLN 101 2.55 8 0.22 0.66 +++ + *+ ++ VdW CD2 LEU 96 - O LEU 393 2.90 8 0.26 0.99 + ++ +* + ++ VdW CD2 LEU 96 - C GLY 394 3.10 6 0.22 1.05 + + +* + + VdW CD2 LEU 96 - N ALA 395 3.05 6 0.24 1.49 + + +* + + VdW CD2 LEU 96 - C ALA 395 3.10 9 0.24 1.11 + + ++++ + *+ VdW CD2 LEU 96 - N LEU 396 3.05 12 0.46 1.10 + +++ +++++++ * VdW CD2 LEU 96 - H LEU 396 2.55 12 0.39 1.35 + +++ +++ ++*+ + VdW CD2 LEU 96 - CB LEU 396 3.20 6 0.14 0.74 + + ++ *+ VdW HD21 LEU 96 - N LEU 396 2.45 7 0.23 1.47 ++ ++ ++ * VdW HD22 LEU 96 - N LEU 396 2.45 7 0.23 1.01 + + + *+ ++ VdW HD22 LEU 96 - H LEU 396 1.95 7 0.12 0.53 + + + *+ ++ VdW HG2 PRO 97 - CG1 ILE 100 2.60 7 0.16 0.67 *++ ++ + + VdW HG2 PRO 97 - CD1 ILE 100 2.60 7 0.14 0.55 ++++ *+ + VdW HD3 PRO 97 - CE2 TYR 352 2.60 6 0.18 0.85 + *+ ++ + VdW O PRO 97 - CB GLN 101 2.90 7 0.15 0.51 *+ + + + ++ VdW O PRO 97 - HB2 GLN 101 2.30 8 0.19 0.77 +* ++ ++ ++ VdW CD1 ILE 100 - O LEU 396 2.90 11 0.50 1.10 + ++ ++++*+ ++ VdW CD1 ILE 100 - C PRO 397 3.10 8 0.17 0.74 ++ + *+ + ++ VdW HD11 ILE 100 - O LEU 396 2.30 6 0.19 0.79 * ++ ++ + VdW HD12 ILE 100 - O LEU 396 2.30 7 0.25 0.92 ++ * +++ + VdW HD13 ILE 100 - O LEU 396 2.30 7 0.20 0.67 + + +*+ ++ VdW NE2 GLN 101 - HA2 GLY 394 2.45 6 0.17 0.74 + + +*++ VdW O GLN 101 - N VAL 104 2.75 7 0.14 0.60 + *++ + ++ VdW O GLN 101 - CG1 VAL 104 2.90 10 0.21 0.57 ++ + + ++*+ + + VdW CG1 VAL 104 - N GLN 105 3.05 6 0.11 0.44 *++ + + + VdW CG2 VAL 104 - C VAL 104 2.90 6 0.10 0.33 + + +* + + VdW C VAL 104 - N GLY 106 2.95 7 0.16 0.34 ++ ++ + *+ VdW C VAL 104 - H GLY 106 2.45 8 0.19 0.53 ++ +++ + *+ VdW HA ARG 108 - CD PRO 109 2.60 12 0.19 0.30 ++ ++++ * + + + ++ VdW CB PRO 109 - H GLY 110 2.55 13 0.23 0.38 ++++++ + ++++ * + VdW HB2 PRO 109 - N GLY 110 2.45 13 0.21 0.32 +++++++ +++ + + * VdW HB2 PRO 109 - H GLY 110 1.95 15 0.35 0.59 +++++++ +++++ + + * VdW HB2 PRO 109 - HA SER 411 2.00 6 0.12 0.55 +++ + * + VdW HD3 PRO 109 - CD1 LEU 118 2.60 13 0.28 0.60 ++* + ++++ ++++ + VdW N GLY 110 - CA SER 411 3.05 6 0.13 0.65 *++ + + + VdW N GLY 110 - HA SER 411 2.45 6 0.23 1.07 *++ + + + VdW H GLY 110 - CA SER 411 2.55 6 0.14 0.58 +++ + * + VdW H GLY 110 - HA SER 411 1.95 6 0.25 0.92 +++ + * + VdW N SER 111 - CB SER 411 3.05 6 0.19 0.82 *++ + + + VdW N SER 111 - CD PRO 412 3.05 6 0.26 1.47 *++ + + + VdW N SER 111 - HD2 PRO 412 2.45 6 0.37 1.69 *++ + + + VdW H SER 111 - CA SER 411 2.55 6 0.23 1.07 *++ + + + VdW H SER 111 - CB SER 411 2.55 6 0.16 0.65 +++ * + + VdW H SER 111 - CD PRO 412 2.55 6 0.22 1.10 *++ + + + VdW H SER 111 - HD2 PRO 412 1.95 6 0.23 0.92 +++ + + * VdW CA SER 111 - HB3 SER 411 2.60 6 0.16 0.66 ++ *+ + + VdW CA SER 111 - CD PRO 412 3.20 6 0.16 1.10 *++ + + + VdW CA SER 111 - HD2 PRO 412 2.60 6 0.17 1.04 *++ + + + VdW CB SER 111 - CD PRO 112 3.20 13 0.34 0.91 +++ + ++++ ++++ * VdW CB SER 111 - HD2 PRO 112 2.60 13 0.40 0.91 +++ + ++++ ++++ * VdW CB SER 111 - CA SER 411 3.20 6 0.21 0.80 + ++* ++ VdW CB SER 111 - CB GLU 413 3.20 8 0.29 1.08 ++ +++ * + + VdW CB SER 111 - HB2 GLU 413 2.60 8 0.35 1.32 ++ ++* + + + VdW HB2 SER 111 - CA SER 411 2.60 6 0.11 0.43 +++* + + VdW HB2 SER 111 - HA SER 411 2.00 6 0.14 0.81 + ++* + + VdW HB3 SER 111 - CD PRO 112 2.60 10 0.29 0.99 + + ++++ + ++ * VdW HB3 SER 111 - HD2 PRO 112 2.00 11 0.37 1.05 +++ ++++ + +* + VdW HB3 SER 111 - CA SER 411 2.60 7 0.24 0.87 + + +++ +* VdW HB3 SER 111 - CB GLU 413 2.60 6 0.29 1.27 +*+ + + + VdW OG SER 111 - CB GLU 413 2.90 6 0.17 1.03 +++ * + + VdW OG SER 111 - HB2 GLU 413 2.30 6 0.16 0.86 +++ * + + VdW C SER 111 - H GLU 113 2.45 7 0.13 0.37 ++* + + ++ VdW C SER 111 - N PRO 412 2.95 6 0.22 1.07 *++ + + + VdW C SER 111 - CD PRO 412 3.10 6 0.25 1.16 *++ + + + VdW C SER 111 - CA PRO 412 3.10 6 0.24 1.23 *++ + + + VdW C SER 111 - CB PRO 412 3.10 6 0.18 1.09 *++ + + + VdW C SER 111 - CG PRO 412 3.10 6 0.32 1.44 *++ + + + VdW C SER 111 - HG2 PRO 412 2.50 6 0.30 1.19 ++* + + + VdW C SER 111 - C PRO 412 3.00 8 0.29 1.02 ++ *++ + + + VdW O SER 111 - N PRO 412 2.75 6 0.39 1.48 *++ + + + VdW O SER 111 - CD PRO 412 2.90 6 0.39 1.67 +++ + * + VdW O SER 111 - CA PRO 412 2.90 6 0.43 1.92 *++ + + + VdW O SER 111 - CB PRO 412 2.90 6 0.37 1.72 *++ + + + VdW O SER 111 - CG PRO 412 2.90 6 0.44 2.01 ++* + + + VdW O SER 111 - C PRO 412 2.80 8 0.28 1.43 ++ +++ + + * VdW N PRO 112 - HG2 PRO 412 2.45 7 0.18 0.84 + +*+ + + + VdW N PRO 112 - C PRO 412 2.95 8 0.27 0.93 ++ ++* + + + VdW CD PRO 112 - HG3 GLU 413 2.60 6 0.18 1.15 *+ + + + + VdW CA PRO 112 - CA PRO 412 3.20 16 0.36 0.74 +++ + +++*++++++++ VdW CA PRO 112 - HA PRO 412 2.60 8 0.33 1.18 + +*++ + ++ VdW CA PRO 112 - CB PRO 412 3.20 7 0.23 0.83 ++ ++* + + VdW CA PRO 112 - HB2 PRO 412 2.60 7 0.26 1.08 + *++ + + + VdW CA PRO 112 - CG PRO 412 3.20 6 0.10 0.50 +* +++ + VdW CA PRO 112 - C PRO 412 3.10 10 0.47 1.29 *+ ++++ + + + + VdW CA PRO 112 - O PRO 412 2.90 11 0.54 1.76 ++ +++++ * + + + VdW HA PRO 112 - CB PRO 412 2.60 8 0.20 0.63 ++ *++ + + + VdW HA PRO 112 - HB2 PRO 412 2.00 7 0.27 1.02 + *++ + + + VdW CB PRO 112 - CA PRO 412 3.20 10 0.31 0.94 ++ +++++ ++* VdW CB PRO 112 - HA PRO 412 2.60 10 0.36 0.88 ++ ++*++ +++ VdW CB PRO 112 - CB PRO 412 3.20 7 0.18 0.63 +++ *++ + VdW CB PRO 112 - O PRO 412 2.90 6 0.22 0.96 *++ + + + VdW HB2 PRO 112 - CA PRO 412 2.60 8 0.22 1.04 ++ * +++ ++ VdW HB2 PRO 112 - HA PRO 412 2.00 8 0.24 0.98 ++ * +++ ++ VdW CG PRO 112 - N PRO 412 3.05 7 0.13 0.75 ++ + +++ * VdW CG PRO 112 - CA PRO 412 3.20 9 0.37 1.22 + ++++ *+++ VdW CG PRO 112 - HA PRO 412 2.60 7 0.25 1.17 ++++ * ++ VdW CG PRO 112 - CB PRO 412 3.20 9 0.43 1.25 + ++++ + *+ + VdW CG PRO 112 - HB3 PRO 412 2.60 9 0.42 1.18 + ++*+ + ++ + VdW HG2 PRO 112 - N PRO 412 2.45 8 0.21 1.05 ++ + +++ *+ VdW HG2 PRO 112 - CA PRO 412 2.60 9 0.39 1.34 + ++++ *+++ VdW HG2 PRO 112 - CB PRO 412 2.60 9 0.48 1.50 + ++++ + *+ + VdW HG2 PRO 112 - HB3 PRO 412 2.00 7 0.25 1.01 + +++* + + VdW HD2 PRO 112 - HB2 GLU 413 2.00 6 0.19 0.89 +++ * + + VdW HD2 PRO 112 - CG GLU 413 2.60 6 0.15 0.79 + ++* + + VdW C PRO 112 - C SER 411 3.00 7 0.18 0.79 + * +++ ++ VdW C PRO 112 - O SER 411 2.80 10 0.30 1.30 +* +++++ +++ VdW C PRO 112 - N PRO 412 2.95 6 0.17 0.99 + * + + ++ VdW C PRO 112 - CA PRO 412 3.10 15 0.63 1.33 +++ +++*++++++++ VdW C PRO 112 - HA PRO 412 2.50 9 0.39 1.43 ++ +*++ + ++ VdW C PRO 112 - C PRO 412 3.00 15 0.75 1.79 + +++++++ +++++ * + VdW C PRO 112 - O PRO 412 2.80 14 0.77 1.95 + *+++++ +++++ + + VdW C PRO 112 - N GLU 413 2.95 8 0.34 2.13 + + ++ + + * + VdW O PRO 112 - CE2 PHE 392 2.90 6 0.21 1.09 + +++ + * VdW O PRO 112 - CD2 PHE 392 2.90 6 0.17 1.20 + ++ ++ * VdW O PRO 112 - CA PRO 412 2.90 10 0.41 1.77 ++ +* +++ + ++ VdW O PRO 112 - HA PRO 412 2.30 6 0.20 0.70 *+ +++ + VdW O PRO 112 - C PRO 412 2.80 9 0.41 1.95 ++ ++ +++ + * VdW O PRO 112 - O PRO 412 2.60 13 0.38 1.30 + ++ ++* +++++ + + VdW N GLU 113 - C SER 411 2.95 9 0.44 1.41 ++ +++* +++ VdW N GLU 113 - O SER 411 2.75 8 0.64 2.00 ++ ++++ +* VdW N GLU 113 - N PRO 412 2.90 8 0.21 0.95 + +*++ +++ VdW N GLU 113 - CA PRO 412 3.05 12 0.40 1.11 + + + +*++++++ + VdW N GLU 113 - C PRO 412 2.95 13 0.73 1.84 ++++++ +*+++ + + VdW N GLU 113 - O PRO 412 2.75 10 0.61 2.04 *++ ++ ++++ + VdW N GLU 113 - N GLU 413 2.90 10 0.50 1.54 ++++++ + + * + VdW N GLU 113 - CA GLU 413 3.05 10 0.41 1.00 *+ ++++ + + + + VdW N GLU 113 - HA GLU 413 2.45 8 0.26 0.91 +* +++ + + + VdW H GLU 113 - C SER 411 2.45 7 0.37 1.51 + +++* ++ VdW H GLU 113 - O SER 411 1.80 8 0.29 1.10 ++ +*++ ++ VdW H GLU 113 - C PRO 412 2.45 7 0.38 1.66 +++ + + + * VdW H GLU 113 - CA GLU 413 2.55 7 0.35 1.25 +* +++ + + VdW H GLU 113 - HA GLU 413 1.95 6 0.20 0.93 * +++ + + VdW CA GLU 113 - C SER 411 3.10 7 0.23 0.92 + +++* ++ VdW CA GLU 113 - O SER 411 2.90 7 0.45 1.59 + ++++ +* VdW CA GLU 113 - C PRO 412 3.10 12 0.44 1.13 ++++ ++ ++*++ + VdW CA GLU 113 - O PRO 412 2.90 8 0.31 1.87 ++ + + *++ + VdW CA GLU 113 - N GLU 413 3.05 17 0.49 0.88 ++++++++*+++++++ + VdW CA GLU 113 - CA GLU 413 3.20 12 0.28 0.75 + *+++++ + + + + + VdW CA GLU 113 - N GLU 414 3.05 7 0.17 0.64 ++ +*++ + VdW HA GLU 113 - N GLU 413 2.45 9 0.26 0.91 ++ +++*+ ++ VdW HA GLU 113 - CA GLU 413 2.60 6 0.15 1.00 +* + + ++ VdW CB GLU 113 - CA SER 411 3.20 8 0.15 0.47 + +*++ +++ VdW CB GLU 113 - CB SER 411 3.20 6 0.20 1.09 + +++ + * VdW CB GLU 113 - C SER 411 3.10 8 0.32 1.00 ++ ++*+ ++ VdW CB GLU 113 - O SER 411 2.90 7 0.29 1.31 * ++++ ++ VdW CB GLU 113 - N GLU 413 3.05 10 0.29 0.77 + ++*+++ ++ + VdW CB GLU 113 - CA GLU 413 3.20 9 0.33 1.07 +++ + +++ +* VdW CB GLU 113 - HA GLU 413 2.60 7 0.25 1.14 +* +++ ++ VdW CB GLU 113 - C GLU 413 3.10 13 0.38 1.25 + +++ + +++ +++ +* VdW CB GLU 113 - N GLU 414 3.05 11 0.49 1.29 * + +++++ +++ + VdW CB GLU 113 - H GLU 414 2.55 7 0.40 1.65 + +*++ ++ VdW CB GLU 113 - CA GLU 414 3.20 7 0.19 0.71 + +*++ ++ VdW CB GLU 113 - CB GLU 414 3.20 7 0.24 0.87 + +*++ ++ VdW HB2 GLU 113 - N SER 411 2.45 7 0.17 0.80 * ++++ ++ VdW HB2 GLU 113 - CA SER 411 2.60 10 0.32 0.93 ++ ++*++ +++ VdW HB2 GLU 113 - CB SER 411 2.60 8 0.27 1.33 + *++++ + + VdW HB2 GLU 113 - C SER 411 2.50 9 0.30 1.00 ++ +*++ +++ VdW HB2 GLU 113 - O SER 411 2.30 7 0.15 0.83 * ++++ ++ VdW HB2 GLU 113 - CA GLU 413 2.60 8 0.33 1.41 +++ +++ +* VdW HB3 GLU 113 - N GLU 414 2.45 8 0.45 1.40 * ++++ ++ + VdW HB3 GLU 113 - H GLU 414 1.95 6 0.25 1.10 * ++++ + VdW HB3 GLU 113 - CA GLU 414 2.60 8 0.36 1.15 + +*++ ++ + VdW HB3 GLU 113 - CB GLU 414 2.60 7 0.33 1.19 + +*++ ++ VdW CG GLU 113 - CB SER 411 3.20 7 0.11 0.41 + *+++ ++ VdW CG GLU 113 - HB3 SER 411 2.60 6 0.15 0.66 +*++ ++ VdW CG GLU 113 - C SER 411 3.10 7 0.19 0.82 * ++++ ++ VdW CG GLU 113 - N PRO 412 3.05 7 0.18 0.69 + +++* ++ VdW CG GLU 113 - CD PRO 412 3.20 6 0.13 0.71 +++ + + * VdW CG GLU 113 - C PRO 412 3.10 8 0.20 0.70 ++ +++* ++ VdW CG GLU 113 - N GLU 413 3.05 7 0.45 1.42 + +++* ++ VdW CG GLU 113 - H GLU 413 2.55 7 0.41 1.47 * ++++ ++ VdW CG GLU 113 - CA GLU 413 3.20 11 0.28 0.78 * + + +++++ ++ + VdW CG GLU 113 - C GLU 413 3.10 7 0.16 0.50 + +*++ ++ VdW CG GLU 113 - N GLU 414 3.05 7 0.31 1.07 + *+++ ++ VdW CG GLU 113 - H GLU 414 2.55 7 0.41 1.48 + *+++ ++ VdW HG2 GLU 113 - N GLU 413 2.45 7 0.48 1.57 + +++* ++ VdW HG2 GLU 113 - H GLU 413 1.95 7 0.26 0.98 + +++* ++ VdW HG2 GLU 113 - CA GLU 413 2.60 7 0.38 1.22 * ++++ ++ VdW HG2 GLU 113 - CB GLU 413 2.60 7 0.16 0.70 *+ + ++ ++ VdW HG2 GLU 113 - C GLU 413 2.50 6 0.16 0.70 + +*++ + VdW HG3 GLU 113 - N PRO 412 2.45 7 0.29 0.94 + +++* ++ VdW HG3 GLU 113 - CD PRO 412 2.60 7 0.23 0.82 ++++* + + VdW HG3 GLU 113 - CA PRO 412 2.60 7 0.12 0.58 + +++* ++ VdW HG3 GLU 113 - N GLU 413 2.45 6 0.18 0.64 + *+++ + VdW CD GLU 113 - CB SER 411 3.10 7 0.14 0.60 + ++++ *+ VdW CD GLU 113 - N GLU 414 2.95 7 0.14 0.51 + +++* ++ VdW CD GLU 113 - H GLU 414 2.45 6 0.22 0.86 + + ++ *+ VdW C GLU 113 - N ALA 115 2.95 8 0.18 0.58 + + + +* +++ VdW C GLU 113 - H ALA 115 2.45 9 0.21 0.70 + + +++* +++ VdW C GLU 113 - O SER 411 2.80 7 0.17 0.61 + ++*+ + + VdW C GLU 113 - C PRO 412 3.00 6 0.15 1.09 +++ +*+ VdW C GLU 113 - N ALA 415 2.95 11 0.24 0.83 + + +++ + +++ +* VdW C GLU 113 - H ALA 415 2.45 12 0.42 0.98 + + +++++ +++ +* VdW O GLU 113 - C GLU 114 2.80 7 0.17 0.48 ++ + * ++ + VdW O GLU 113 - N ALA 115 2.75 8 0.29 1.12 + + + + +* ++ VdW O GLU 113 - N ALA 116 2.75 7 0.17 0.63 ++ + * + + + VdW O GLU 113 - H ALA 116 1.80 6 0.09 0.45 ++ + * + + VdW O GLU 113 - N ALA 415 2.75 8 0.23 0.81 + +++ +* ++ VdW O GLU 113 - CA ALA 415 2.90 7 0.17 0.83 + + + ++ +* VdW O GLU 113 - CB ALA 415 2.90 13 0.45 1.16 + + + +++++ +++ *+ VdW O GLU 113 - HB1 ALA 415 2.30 6 0.24 0.94 + ++ ++* VdW O GLU 113 - HB3 ALA 415 2.30 8 0.25 0.93 + *++ + + ++ VdW N GLU 114 - HG2 GLU 114 2.45 6 0.09 0.27 + + ++* + VdW N GLU 114 - O SER 411 2.75 7 0.24 0.93 + + + +* + + VdW N GLU 114 - N GLU 413 2.90 7 0.24 1.08 +*+ +++ + VdW N GLU 114 - N GLU 414 2.90 8 0.37 1.11 ++++ + * + + VdW N GLU 114 - H GLU 414 1.80 6 0.19 0.86 +* + + + + VdW N GLU 114 - CA GLU 414 3.05 6 0.12 0.51 ++ + + * + VdW N GLU 114 - N ALA 415 2.90 6 0.19 0.84 + + + + +* VdW N GLU 114 - H ALA 415 1.80 6 0.14 0.69 + + + + +* VdW H GLU 114 - HG2 GLU 114 1.95 7 0.12 0.42 * + + +++ + VdW H GLU 114 - H SER 411 1.90 6 0.16 0.81 +++* ++ VdW H GLU 114 - N GLU 414 1.80 7 0.21 0.90 + ++ + * + + VdW H GLU 114 - H GLU 414 1.90 7 0.41 1.39 + ++ * + + + VdW CA GLU 114 - O SER 411 2.90 7 0.34 1.28 +++ ++* + VdW CA GLU 114 - N GLU 414 3.05 6 0.17 0.85 +++ +*+ VdW CA GLU 114 - H GLU 414 2.55 7 0.18 0.83 + *+ +++ + VdW CA GLU 114 - N ALA 415 3.05 8 0.29 1.03 +++ +++ +* VdW CA GLU 114 - H ALA 415 2.55 8 0.40 1.29 *++ +++ ++ VdW HA GLU 114 - C GLU 414 2.50 6 0.09 0.42 ++ ++ +* VdW HA GLU 114 - N ALA 415 2.45 8 0.33 1.24 +*+ +++ ++ VdW HA GLU 114 - H ALA 415 1.95 8 0.27 1.14 +*+ +++ ++ VdW CB GLU 114 - C SER 411 3.10 7 0.25 1.00 +++ +*+ + VdW CB GLU 114 - O SER 411 2.90 7 0.48 1.75 +*+ +++ + VdW CB GLU 114 - H GLU 414 2.55 6 0.15 0.72 +*+ +++ VdW CB GLU 114 - CB GLU 414 3.20 6 0.18 1.15 +++ * ++ VdW CG GLU 114 - H SER 411 2.55 6 0.19 1.10 ++ + + +* VdW CG GLU 114 - C SER 411 3.10 8 0.24 1.30 +++ +*+ ++ VdW CG GLU 114 - O SER 411 2.90 8 0.34 1.45 +++ +++ *+ VdW HG3 GLU 114 - C SER 411 2.50 8 0.19 1.16 +++ +*+ ++ VdW C GLU 114 - CB ALA 415 3.10 8 0.25 0.84 ++ + + + + +* VdW C GLU 114 - HB2 ALA 415 2.50 6 0.15 0.91 + ++ + *+ VdW C GLU 114 - HB3 ALA 415 2.50 7 0.18 0.78 + +++ + + * VdW O GLU 114 - CB ALA 415 2.90 6 0.25 1.01 +* + + ++ VdW O GLU 114 - HB2 ALA 415 2.30 6 0.23 1.08 +++ + + * VdW O GLU 114 - HB3 ALA 415 2.30 6 0.16 0.69 * +++ + + VdW H ALA 115 - CA PRO 412 2.55 6 0.13 0.62 +++ + * + VdW CB ALA 115 - CD1 LEU 393 3.20 8 0.27 1.16 + +++ + * + + VdW CB ALA 115 - CD2 LEU 393 3.20 6 0.17 0.88 + + ++ *+ VdW HB2 ALA 115 - CG LEU 393 2.60 8 0.20 1.00 + ++ + + ++ * VdW HB2 ALA 115 - CD2 LEU 393 2.60 6 0.17 0.61 +* +++ + VdW C ALA 115 - N ALA 117 2.95 14 0.29 0.54 + +++ +*++++++ ++ VdW C ALA 115 - H ALA 117 2.45 14 0.40 0.82 + +++ +*++++++ ++ VdW C ALA 115 - CD1 LEU 393 3.10 10 0.28 0.91 ++ + *++++ ++ VdW O ALA 115 - C ALA 116 2.80 10 0.17 0.30 + ++ +++* + + + VdW O ALA 115 - N ALA 117 2.75 14 0.42 0.86 + +++ +*++++++ ++ VdW O ALA 115 - N LEU 118 2.75 13 0.25 0.49 +* +++ ++ + + ++++ VdW O ALA 115 - CD1 LEU 393 2.90 7 0.26 1.39 ++ ++++ * VdW N ALA 116 - CD1 LEU 393 3.05 7 0.19 1.02 + ++ +* ++ VdW N ALA 116 - CB ALA 415 3.05 12 0.30 0.75 + + ++*+++++ ++ VdW N ALA 116 - HB3 ALA 415 2.45 6 0.15 0.76 + * + + ++ VdW CA ALA 116 - CB ALA 415 3.20 8 0.19 0.61 + + + ++*++ VdW CB ALA 116 - HZ PHE 392 2.60 7 0.24 0.97 * + +++ ++ VdW CB ALA 116 - CB ALA 415 3.20 8 0.17 0.57 + ++ ++++* VdW CB ALA 116 - C ALA 415 3.10 6 0.11 0.47 + + ++ +* VdW CB ALA 116 - N ALA 416 3.05 10 0.31 0.83 + + +++++* ++ VdW CB ALA 116 - CA ALA 416 3.20 7 0.17 0.87 + + ++ * ++ VdW HB1 ALA 116 - N ALA 416 2.45 6 0.21 0.87 * + + + ++ VdW C ALA 116 - CB ALA 415 3.10 6 0.14 0.90 + + + + *+ VdW O ALA 116 - CD1 LEU 396 2.90 7 0.26 0.83 + +++ + + * VdW O ALA 116 - HD12 LEU 396 2.30 6 0.14 0.68 * + +++ + VdW O ALA 116 - NE2 GLN 401 2.75 6 0.18 0.82 * ++ + ++ VdW N ALA 117 - CB ALA 415 3.05 14 0.39 1.04 + ++ +++++*+++ ++ VdW N ALA 117 - HB2 ALA 415 2.45 7 0.26 0.90 + + *+++ + VdW H ALA 117 - CB ALA 415 2.55 12 0.34 0.79 + + ++*+++++ ++ VdW H ALA 117 - HB2 ALA 415 1.95 6 0.15 0.61 ++ +++ * VdW HA ALA 117 - CG1 VAL 404 2.60 8 0.16 0.67 ++ + +++ * + VdW HA ALA 117 - HG12 VAL 404 2.00 7 0.12 0.49 + + + + + * + VdW C ALA 117 - NE2 GLN 405 2.95 11 0.26 0.69 + ++ + ++ +*+ ++ VdW O ALA 117 - C LEU 118 2.80 6 0.09 0.29 + + *+++ VdW O ALA 117 - NE2 GLN 405 2.75 10 0.23 0.64 + * ++ +++++ + VdW CA LEU 118 - CD2 LEU 118 3.00 11 0.16 0.26 +++ +++++ ++ * VdW HA LEU 118 - CD2 LEU 118 2.60 7 0.15 0.43 + + ++++ * VdW H VAL 119 - CG2 VAL 119 2.55 6 0.12 0.42 ++ ++ * + VdW CB VAL 119 - CD GLN 401 3.10 11 0.21 0.54 + ++ +++ ++*+ + VdW CB VAL 119 - NE2 GLN 401 3.05 13 0.38 0.82 +++ +*+++++++ + VdW CB VAL 119 - HE21 GLN 401 2.55 9 0.20 0.64 ++ +++ ++* + VdW HB VAL 119 - CG GLN 401 2.60 11 0.28 0.92 * ++ ++++++ + + VdW HB VAL 119 - CD GLN 401 2.50 13 0.45 0.92 * ++ +++++++++ + VdW HB VAL 119 - NE2 GLN 401 2.45 13 0.49 1.23 +++ ++++++*++ + VdW HB VAL 119 - HE21 GLN 401 1.95 8 0.20 0.83 ++ ++ ++* + VdW CG1 VAL 119 - HG3 GLN 401 2.60 8 0.16 0.65 + ++ +++ *+ VdW CG2 VAL 119 - NE2 GLN 401 3.05 6 0.20 0.82 + + ++ + * VdW CG2 VAL 119 - HE21 GLN 401 2.55 8 0.20 0.71 + ++ + + * ++ VdW CB ASP 120 - C GLN 401 3.10 8 0.15 0.49 *+ + + + + + + VdW CB ASP 120 - O GLN 401 2.90 12 0.26 0.56 + +*+ + +++ +++ + VdW HB2 ASP 120 - C GLN 401 2.50 11 0.25 0.84 +* +++ +++ + ++ VdW HB2 ASP 120 - O GLN 401 2.30 10 0.24 0.70 * ++ ++++ +++ VdW CG ASP 120 - HA ALA 402 2.50 8 0.20 0.80 * ++ ++ + + + VdW OD1 ASP 120 - HA ALA 402 2.30 6 0.15 0.55 * + +++ + VdW C ASP 120 - N LEU 122 2.95 8 0.14 0.29 +++ ++*+ + VdW C ASP 120 - H LEU 122 2.45 9 0.15 0.45 + *++ ++++ + VdW O ASP 120 - N LEU 122 2.75 8 0.16 0.38 ++ +++* + + VdW O ASP 120 - N ARG 123 2.75 8 0.12 0.32 *+ + +++ + + VdW O ARG 344 - HB3 PHE 347 2.30 7 0.14 0.45 *+ +++ ++ VdW C PHE 347 - H CYS 349 2.45 7 0.13 0.38 + * + +++ + VdW CE1 PHE 350 - CB ALA 361 3.20 7 0.13 0.42 + ++ + * + + VdW CZ PHE 350 - HG3 GLU 360 2.60 6 0.13 0.42 + + + * + + VdW HZ PHE 350 - CB GLU 360 2.60 6 0.13 0.52 + + + + + * VdW HZ PHE 350 - HB3 GLU 360 2.00 6 0.14 0.62 + * + + + + VdW CG HIS 351 - O HIS 351 2.90 6 0.11 0.41 + ++ +* + VdW CG TYR 352 - C TYR 352 2.90 6 0.13 0.24 + + + + + * VdW CD1 TYR 352 - C TYR 352 3.10 12 0.34 0.74 +++ +*+ + +++ ++ VdW CD1 TYR 352 - N GLU 353 3.05 9 0.18 0.49 +*+ ++ + + ++ VdW HD1 TYR 352 - C TYR 352 2.50 12 0.31 0.79 +++ +++ + +++ *+ VdW CE2 TYR 352 - CA GLY 357 3.20 6 0.09 0.39 + + +*++ VdW CD2 TYR 352 - C TYR 352 3.10 7 0.19 0.75 + + + *+ ++ VdW H GLU 353 - CG2 THR 356 2.55 8 0.22 0.68 +++ + ++ +* VdW O GLU 353 - N THR 356 2.75 10 0.16 0.32 + + +++++ +*+ VdW O GLU 353 - N GLY 357 2.75 6 0.14 0.50 + + + *+ + VdW O GLU 353 - H GLY 357 1.80 6 0.11 0.33 + + + +* + VdW CG2 THR 356 - C THR 356 2.90 17 0.26 0.32 ++*+++++++++++ + ++ VdW CG2 THR 356 - CG GLU 360 3.20 6 0.14 0.36 + * ++ + + VdW CB PRO 358 - H GLN 359 2.55 14 0.21 0.38 + *+++++++++ + ++ VdW HB2 PRO 358 - N GLN 359 2.45 6 0.15 0.32 + + ++ +* VdW HB2 PRO 358 - H GLN 359 1.95 10 0.22 0.58 + +++++ ++ +* VdW HB2 PRO 358 - NE2 GLN 359 2.45 6 0.16 0.60 ++ * + + + VdW CG PRO 358 - OE1 GLN 359 2.90 9 0.21 0.68 + + + + + + + +* VdW CG PRO 358 - NE2 GLN 359 3.05 9 0.17 0.58 + + + + +++ *+ VdW CG PRO 358 - HE22 GLN 359 2.55 8 0.20 0.75 + + + + + ++ * VdW HG2 PRO 358 - CD GLN 359 2.50 10 0.23 0.80 + + + +++++ + * VdW HG2 PRO 358 - OE1 GLN 359 2.30 11 0.37 0.96 + + + ++*++ + ++ VdW HG2 PRO 358 - NE2 GLN 359 2.45 9 0.26 0.92 + + + ++++ *+ VdW C PRO 358 - N GLU 360 2.95 17 0.43 0.61 ++++++++++++++ + +* VdW C PRO 358 - H GLU 360 2.45 18 0.52 0.81 ++++++++++++*+++ ++ VdW O PRO 358 - C GLN 359 2.80 18 0.35 0.48 ++++++++++*+++ ++++ VdW O PRO 358 - N GLU 360 2.75 18 0.84 1.25 +++++++++++++*++ ++ VdW O PRO 358 - H GLU 360 1.80 12 0.30 1.14 + + *+ ++ ++++ ++ VdW O PRO 358 - CA GLU 360 2.90 9 0.18 0.47 + ++++ ++ * + VdW N GLN 359 - CD GLN 359 2.95 13 0.27 0.52 + + +++++ +++++* VdW H GLN 359 - CD GLN 359 2.45 9 0.20 0.65 +*++ ++ +++ VdW CG GLN 359 - O ALA 416 2.90 9 0.24 0.77 + ++++++ +* VdW NE2 GLN 359 - CG1 VAL 419 3.05 6 0.12 0.63 + + + +*+ VdW NE2 GLN 359 - CG2 VAL 419 3.05 6 0.14 0.68 + + * + + + VdW HE22 GLN 359 - CD2 LEU 396 2.55 6 0.18 0.96 + +* + ++ VdW C GLN 359 - N ALA 361 2.95 7 0.15 0.49 + ++ + + + * VdW C GLN 359 - H ALA 361 2.45 7 0.15 0.58 + ++ + + + * VdW O GLN 359 - C GLU 360 2.80 7 0.13 0.40 + *+ ++ + + VdW O GLN 359 - N ALA 361 2.75 7 0.23 0.82 + ++ + + + * VdW O GLN 359 - N LEU 362 2.75 6 0.11 0.48 + *+ + + + VdW C ALA 361 - N ALA 363 2.95 17 0.41 0.59 + + +++++*++++++ +++ VdW C ALA 361 - H ALA 363 2.45 16 0.57 0.90 + + +++ ++++++++ ++* VdW O ALA 361 - C LEU 362 2.80 10 0.20 0.47 + ++ *++ +++ + VdW O ALA 361 - N ALA 363 2.75 17 0.64 1.25 + + +++++*++++++ +++ VdW O ALA 361 - H ALA 363 1.80 10 0.26 0.76 + ++ +* ++++ + VdW O ALA 361 - N GLN 364 2.75 16 0.35 0.66 + + +++*+ +++++ ++++ VdW O ALA 361 - H GLN 364 1.80 13 0.26 0.52 + + ++ ++ + ++* +++ VdW CD2 LEU 362 - CD2 PHE 392 3.20 6 0.24 1.05 +*+ + + + VdW N GLN 364 - HG2 GLN 364 2.45 7 0.16 0.44 + * + ++ ++ VdW O GLN 364 - C LEU 365 2.80 6 0.11 0.48 + + * + ++ VdW O GLN 364 - CG GLU 367 2.90 6 0.12 0.46 + + * ++ + VdW O GLN 364 - HG2 GLU 367 2.30 6 0.15 0.65 + + + +*+ VdW CB LEU 365 - H ARG 366 2.55 6 0.16 0.38 + + + * + + VdW C LEU 365 - N GLU 367 2.95 13 0.30 0.59 + +++ ++ +++* +++ VdW C LEU 365 - H GLU 367 2.45 13 0.38 0.76 + +++ ++ +++* +++ VdW O LEU 365 - C ARG 366 2.80 11 0.26 0.48 * + ++ + + +++ + + VdW O LEU 365 - N GLU 367 2.75 14 0.55 1.08 +++++ ++ ++*+ +++ VdW O LEU 365 - H GLU 367 1.80 7 0.15 0.52 * ++ +++ + VdW O LEU 365 - CG GLU 367 2.90 7 0.15 0.64 + + + +* ++ VdW O LEU 365 - HG2 GLU 367 2.30 8 0.16 0.56 + * + ++ + ++ VdW N ARG 366 - CD ARG 366 3.05 14 0.36 0.69 ++ + + ++ +++*+++ + VdW N ARG 366 - HD3 ARG 366 2.45 9 0.16 0.47 ++ + +++ * ++ VdW H ARG 366 - CD ARG 366 2.55 8 0.20 0.67 + + + ++++ * VdW H ARG 366 - HD2 ARG 366 1.95 6 0.15 0.56 + + + + + * VdW CA ARG 366 - HD3 ARG 366 2.60 6 0.14 0.35 ++ + *+ + VdW CA ARG 366 - SG CYS 369 3.40 6 0.13 0.52 + + + * ++ VdW HA ARG 366 - SG CYS 369 2.80 6 0.17 0.87 + + + * + + VdW HD3 ARG 366 - C ARG 366 2.50 7 0.14 0.68 * ++ ++ + + VdW HD3 ARG 366 - N GLU 367 2.45 10 0.24 0.76 +++ + ++ +*+ + VdW HD3 ARG 366 - H GLU 367 1.95 7 0.19 0.76 + + + ++ *+ VdW C ARG 366 - SG CYS 369 3.30 8 0.17 0.67 ++ + ++ ++* VdW O ARG 366 - C GLU 367 2.80 8 0.17 0.47 + * +++ + ++ VdW O ARG 366 - N CYS 369 2.75 8 0.25 0.85 + * ++++ + + VdW O ARG 366 - H CYS 369 1.80 6 0.18 0.86 + * +++ + VdW O ARG 366 - CB CYS 369 2.90 8 0.16 0.55 + ++++* ++ VdW O ARG 366 - SG CYS 369 3.10 15 0.49 1.29 ++ +++++ ++ +*++++ VdW CG GLU 367 - N LEU 368 3.05 6 0.20 0.62 + + + *+ + VdW CG GLU 367 - H LEU 368 2.55 9 0.23 0.63 + ++ + +++ +* VdW HG3 GLU 367 - N LEU 368 2.45 10 0.22 0.84 + + *+ ++++ ++ VdW HG3 GLU 367 - H LEU 368 1.95 10 0.23 0.64 + + ++ + +++ *+ VdW CB LEU 368 - NE1 TRP 372 3.05 6 0.09 0.31 * ++ + ++ VdW HB3 LEU 368 - NE1 TRP 372 2.45 6 0.14 0.73 * + + + + + VdW O LEU 368 - C CYS 369 2.80 9 0.17 0.34 ++ +*+ + + ++ VdW O LEU 368 - O CYS 369 2.60 6 0.18 0.82 ++ * ++ + VdW O LEU 368 - CD2 TRP 372 2.90 11 0.24 0.72 ++ * ++ + +++ ++ VdW O LEU 368 - CE2 TRP 372 2.90 6 0.13 0.73 ++ * + + + VdW CA CYS 369 - CZ3 TRP 372 3.20 11 0.40 0.94 + + + ++ *+++++ VdW CA CYS 369 - CZ2 TRP 372 3.20 11 0.25 0.80 + ++ * + + + + +++ VdW CA CYS 369 - CH2 TRP 372 3.20 15 0.55 0.94 ++ + ++ + ++++++++* VdW HA CYS 369 - CZ3 TRP 372 2.60 12 0.49 1.09 ++ + + ++ ++*+++ VdW HA CYS 369 - CZ2 TRP 372 2.60 13 0.44 1.13 + + * + + + +++++++ VdW HA CYS 369 - CH2 TRP 372 2.60 16 0.84 1.33 *+ + +++ + +++++++++ VdW HA CYS 369 - HH2 TRP 372 2.00 7 0.16 0.71 + ++ + +* + VdW CB CYS 369 - H ARG 370 2.55 9 0.16 0.40 +* + + ++ +++ VdW CB CYS 369 - CH2 TRP 372 3.20 7 0.13 0.54 + + + ++ *+ VdW CB CYS 369 - CD1 LEU 387 3.20 6 0.10 0.43 + + + + *+ VdW SG CYS 369 - N ARG 370 3.25 11 0.28 0.78 *+ + ++ ++++++ VdW SG CYS 369 - H ARG 370 2.75 12 0.45 1.17 ++ ++ ++ ++*+++ VdW SG CYS 369 - CD ARG 370 3.40 6 0.13 0.68 * + ++ + + VdW C CYS 369 - N GLN 371 2.95 8 0.14 0.42 ++* ++ + ++ VdW C CYS 369 - CE3 TRP 372 3.10 9 0.21 0.52 + ++ +* + + + + VdW C CYS 369 - CZ3 TRP 372 3.10 13 0.34 0.78 + ++ ++ * ++++ ++ + VdW O CYS 369 - C ARG 370 2.80 11 0.23 0.47 +++ * +++ + + ++ VdW O CYS 369 - N GLN 371 2.75 10 0.28 0.76 ++* + +++ + ++ VdW O CYS 369 - N TRP 372 2.75 10 0.22 0.53 + + + ++ ++ +*+ VdW O CYS 369 - CE3 TRP 372 2.90 15 0.52 1.21 +++* + ++ ++ ++++++ VdW O CYS 369 - CZ3 TRP 372 2.90 12 0.33 1.12 + * ++ + ++++ ++ + VdW HG2 ARG 370 - C ARG 370 2.50 6 0.12 0.43 + * + + + + VdW C ARG 370 - N TRP 372 2.95 12 0.23 0.48 ++ +++ ++* ++ + + VdW C ARG 370 - H TRP 372 2.45 18 0.46 0.78 +++++++++*++++ + +++ VdW O ARG 370 - N TRP 372 2.75 10 0.26 0.76 ++++++ *++ + VdW CA TRP 372 - CE3 TRP 372 3.20 9 0.16 0.24 + + ++* +++ + VdW CA TRP 372 - HE3 TRP 372 2.60 11 0.17 0.29 + + + ++* +++ + + VdW CD2 TRP 372 - C TRP 372 3.10 12 0.23 0.45 + ++ *++ ++ ++ + + VdW CD2 TRP 372 - O TRP 372 2.90 10 0.20 0.66 + + +++ +++ + * VdW CE3 TRP 372 - C TRP 372 3.10 19 0.68 1.01 +++++ +++++++++++*++ VdW CE3 TRP 372 - O TRP 372 2.90 14 0.47 1.00 + + +++ +++ +++*++ VdW CE3 TRP 372 - N LEU 373 3.05 13 0.30 0.72 ++++ ++* + + + +++ VdW CE3 TRP 372 - CB LEU 373 3.20 11 0.20 0.55 ++ * + + + + + + ++ VdW CE3 TRP 372 - HB2 LEU 373 2.60 6 0.16 0.87 + * + ++ + VdW CE3 TRP 372 - HB3 LEU 373 2.60 7 0.20 0.70 +* + ++ + + VdW HE3 TRP 372 - C TRP 372 2.50 19 0.87 1.25 +++++ +++++++++++*++ VdW HE3 TRP 372 - O TRP 372 2.30 14 0.41 1.26 ++ + ++ *++ ++++++ VdW HE3 TRP 372 - N LEU 373 2.45 18 0.65 1.03 +++++ +++* +++++++++ VdW HE3 TRP 372 - CA LEU 373 2.60 6 0.14 0.54 + + + * ++ VdW CZ3 TRP 372 - CB LEU 373 3.20 15 0.36 0.85 ++ * +++ +++++++ ++ VdW CZ3 TRP 372 - HB2 LEU 373 2.60 12 0.33 1.32 ++* ++ +++ + +++ VdW CZ3 TRP 372 - HB3 LEU 373 2.60 9 0.29 0.88 +* + + +++ + + VdW HZ3 TRP 372 - CB LEU 373 2.60 16 0.38 0.71 ++ + ++++ +++++++*+ VdW HZ3 TRP 372 - HB2 LEU 373 2.00 8 0.22 0.77 ++ + + * + ++ VdW HZ3 TRP 372 - HB3 LEU 373 2.00 10 0.25 0.85 ++ + + +*+ + ++ VdW HZ3 TRP 372 - CD2 LEU 373 2.60 9 0.26 0.97 ++ ++ *+ ++ + VdW N LEU 373 - HD3 PRO 375 2.45 8 0.15 0.52 + + *++ + ++ VdW H LEU 373 - HD3 PRO 375 1.95 6 0.18 0.73 ++* + ++ VdW CB LEU 373 - H ARG 374 2.55 9 0.16 0.40 ++ + ++ *+ + + VdW CG LEU 373 - N ARG 374 3.05 9 0.18 0.72 + + +* + ++ + + VdW CD1 LEU 373 - C LEU 373 3.10 6 0.18 0.86 + +* +++ VdW CD1 LEU 373 - N ARG 374 3.05 10 0.34 1.16 ++ +* ++++++ VdW CD1 LEU 373 - H ARG 374 2.55 6 0.18 0.84 * + + +++ VdW CD1 LEU 373 - CD2 LEU 384 3.20 6 0.11 0.42 + + * + + + VdW C LEU 373 - CD PRO 375 3.10 9 0.36 1.06 + + *++++ ++ VdW C LEU 373 - HD2 PRO 375 2.50 9 0.33 1.10 + + ++++* ++ VdW C LEU 373 - HD3 PRO 375 2.50 6 0.18 0.71 + * ++ + + VdW O LEU 373 - CB ARG 374 2.90 7 0.16 0.60 +*+ ++++ VdW O LEU 373 - CD PRO 375 2.90 6 0.20 0.91 + * ++ + + VdW O LEU 373 - HD2 PRO 375 2.30 8 0.35 1.25 + + *+ ++ ++ VdW N ARG 374 - HD3 ARG 374 2.45 6 0.11 0.42 ++ * + ++ VdW N ARG 374 - CD PRO 375 3.05 9 0.27 0.81 + + ++++* ++ VdW N ARG 374 - HD3 PRO 375 2.45 8 0.13 0.34 + + +++ + *+ VdW HA ARG 374 - CD PRO 375 2.60 8 0.14 0.31 +++++ + *+ VdW HA ARG 374 - CG2 VAL 377 2.60 7 0.19 0.94 * + + ++ ++ VdW CG ARG 374 - O ARG 374 2.90 6 0.11 0.47 + +* + ++ VdW CD ARG 374 - C ARG 374 3.10 6 0.13 0.56 + + *++ + VdW O VAL 377 - CB ARG 378 2.90 8 0.18 0.60 * + + + + ++ + VdW O VAL 377 - CG ARG 378 2.90 10 0.19 0.54 + * +++ + + + ++ VdW CB ARG 378 - H SER 379 2.55 20 0.32 0.40 ++++++++++*+++++++++ VdW HB3 ARG 378 - N SER 379 2.45 15 0.24 0.38 * ++ +++++ +++++++ VdW HB3 ARG 378 - H SER 379 1.95 16 0.34 0.58 + +++ +++*+ +++++++ VdW O LYS 380 - CG LEU 384 2.90 10 0.21 0.67 + +++ + +*+ ++ VdW O LYS 380 - HG LEU 384 2.30 10 0.24 0.64 + + + ++++* ++ VdW O LYS 380 - CD1 LEU 384 2.90 7 0.17 0.70 + +++ + * + VdW HA GLU 381 - CD1 LEU 384 2.60 7 0.15 0.61 +++ + ++* VdW CG MET 383 - C MET 383 2.90 7 0.12 0.24 + ++ + + * + VdW H LEU 384 - CG LEU 384 2.55 7 0.14 0.27 ++* + + ++ VdW H LEU 384 - HG LEU 384 1.95 7 0.13 0.46 ++ + + + +* VdW CA LEU 384 - CD2 LEU 387 3.20 9 0.15 0.45 + + + +*+ +++ VdW HA LEU 384 - CD2 LEU 387 2.60 10 0.22 0.59 + + ++ + ++ ++* VdW CB LEU 384 - CD1 LEU 387 3.20 6 0.10 0.48 ++ ++ * + VdW CB LEU 384 - CD2 LEU 387 3.20 6 0.16 0.72 + + + + +* VdW HB2 LEU 384 - CG LEU 387 2.60 7 0.15 0.74 + + + * + ++ VdW HB2 LEU 384 - HG LEU 387 2.00 6 0.16 0.61 + + + + +* VdW C LEU 384 - N LEU 386 2.95 7 0.16 0.53 + + + + + *+ VdW C LEU 384 - H LEU 386 2.45 9 0.21 0.82 + ++ + + + * ++ VdW O LEU 384 - CG LEU 387 2.90 8 0.22 0.66 + + + *++ ++ VdW O LEU 384 - HG LEU 387 2.30 11 0.30 0.75 ++ + ++ ++* +++ VdW O LEU 384 - CD2 LEU 387 2.90 10 0.22 0.67 +++ *+ ++ ++ + VdW CD2 LEU 386 - C LEU 386 3.10 7 0.15 0.64 + +++ ++ * VdW N LEU 387 - CD2 LEU 387 3.05 10 0.21 0.53 + + +++ + + +*+ VdW CA LEU 387 - CD2 LEU 387 3.00 11 0.14 0.26 ++* + + ++++ ++ VdW N VAL 388 - CG2 VAL 388 2.85 11 0.16 0.24 + + + +++* +++ + VdW H VAL 388 - CG2 VAL 388 2.55 6 0.11 0.36 + * +++ + VdW C VAL 388 - N GLU 390 2.95 12 0.21 0.50 ++ +++ + + +* + + + VdW C VAL 388 - H GLU 390 2.45 8 0.21 0.78 ++ +++ * + + VdW O VAL 388 - C LEU 389 2.80 7 0.17 0.47 ++ * + + + + VdW O VAL 388 - N GLU 390 2.75 13 0.50 1.18 ++ ++*++ + ++ + + + VdW O VAL 388 - H GLU 390 1.80 8 0.23 0.77 ++ ++*+ + + VdW CG LEU 389 - O LEU 389 2.90 6 0.14 0.58 +*++ + + VdW CG GLN 391 - C GLN 391 2.90 7 0.13 0.24 + * + ++++ VdW CG GLN 391 - O GLN 391 2.90 13 0.34 0.74 + + ++ ++++ ++* + + VdW HG3 GLN 391 - C GLN 391 2.50 7 0.20 0.50 + * + ++ + + VdW HG3 GLN 391 - O GLN 391 2.30 11 0.40 1.12 + ++ +++* ++ + + VdW CB PHE 392 - H LEU 393 2.55 8 0.14 0.38 * ++ + ++ ++ VdW CG PHE 392 - C PHE 392 2.90 6 0.11 0.25 * + ++ ++ VdW CG PHE 392 - N LEU 393 3.05 13 0.37 0.84 + ++++ + ++++ *++ VdW CG PHE 392 - H LEU 393 2.55 9 0.38 1.22 + ++ + + ++ *+ VdW CD1 PHE 392 - C PHE 392 3.10 7 0.21 0.88 + *+ + + ++ VdW CD1 PHE 392 - N LEU 393 3.05 8 0.34 1.13 +++ * ++ ++ VdW CD1 PHE 392 - H LEU 393 2.55 8 0.27 1.12 ++ + + ++ *+ VdW HD1 PHE 392 - C PHE 392 2.50 6 0.19 1.16 ++ * + ++ VdW C PHE 392 - N GLY 394 2.95 10 0.18 0.51 ++* ++ + + + ++ VdW C PHE 392 - H GLY 394 2.45 12 0.27 0.63 +++++++ * + + ++ VdW O PHE 392 - C LEU 393 2.80 8 0.16 0.43 * ++ + +++ + VdW O PHE 392 - N GLY 394 2.75 10 0.34 0.95 ++* ++ + + + ++ VdW HA LEU 393 - CD1 LEU 393 2.60 6 0.12 0.49 * ++ ++ + VdW C LEU 393 - N ALA 395 2.95 6 0.16 0.64 +* + + + + VdW C LEU 393 - H ALA 395 2.45 7 0.23 0.89 +* + + + ++ VdW O LEU 393 - N ALA 395 2.75 6 0.31 1.24 +* + + + + VdW O LEU 393 - H ALA 395 1.80 6 0.23 1.00 ++ + * + + VdW HA LEU 396 - CD PRO 397 2.60 13 0.21 0.31 + +++ ++++++*+ + VdW CB LEU 396 - NE2 GLN 401 3.05 12 0.29 0.99 + ++* +++++++ + VdW CB LEU 396 - HE21 GLN 401 2.55 12 0.39 1.12 + +++ ++++ ++* + VdW HB3 LEU 396 - NE2 GLN 401 2.45 7 0.21 0.97 + ++ ++ +* VdW HB3 LEU 396 - HE21 GLN 401 1.95 9 0.27 0.99 + +++ ++ ++* VdW CG LEU 396 - NE2 GLN 401 3.05 12 0.29 0.91 + +++ ++++ *++ + VdW CG LEU 396 - HE21 GLN 401 2.55 9 0.19 0.69 + *+ + +++ ++ VdW HG LEU 396 - NE2 GLN 401 2.45 6 0.23 1.28 ++ + *++ VdW CD1 LEU 396 - CG GLN 401 3.20 6 0.11 0.48 * + ++ + + VdW CD1 LEU 396 - HG2 GLN 401 2.60 6 0.13 0.48 * ++ + + + VdW CD2 LEU 396 - NE2 GLN 401 3.05 8 0.17 0.80 ++ + *++ + + VdW HA PRO 397 - CD PRO 398 2.60 9 0.18 0.29 + +++ * ++++ VdW CG PRO 397 - CD1 ILE 400 3.20 8 0.14 0.44 ++ + + + *+ + VdW HG2 PRO 397 - CG1 ILE 400 2.60 11 0.27 0.80 +++ ++ + + +++* VdW HG2 PRO 397 - HG12 ILE 400 2.00 6 0.12 0.53 + + + +*+ VdW HG2 PRO 397 - CD1 ILE 400 2.60 13 0.27 0.68 ++++ + ++ + ++++ * VdW O PRO 397 - CB GLN 401 2.90 7 0.13 0.45 +*+ ++ + + VdW O PRO 397 - HB2 GLN 401 2.30 9 0.19 0.64 +*++ + + ++ + VdW HB ILE 400 - CG1 VAL 419 2.60 6 0.16 0.65 ++ + * + + VdW CG1 ILE 400 - C ILE 400 2.90 8 0.12 0.32 + +* ++++ + VdW CG1 ILE 400 - N GLN 401 3.05 7 0.16 0.42 + + *+ + ++ VdW CD1 ILE 400 - N GLN 401 3.05 8 0.20 0.61 +++ + + *+ + VdW O ILE 400 - N ARG 403 2.75 6 0.13 0.53 + ++ + + * VdW O GLN 401 - CG1 VAL 404 2.90 11 0.20 0.56 *++++ + ++ +++ VdW O GLN 401 - HG13 VAL 404 2.30 7 0.13 0.59 ++ + * ++ + VdW CG2 VAL 404 - HB2 LEU 418 2.60 6 0.11 0.59 + + + + + * VdW C VAL 404 - N GLY 406 2.95 13 0.23 0.42 *+ ++ ++++ ++ + ++ VdW C VAL 404 - H GLY 406 2.45 14 0.34 0.66 *+++ ++++ ++++ ++ VdW O VAL 404 - N GLY 406 2.75 12 0.24 0.56 *+ + ++++ ++ + ++ VdW HA GLN 405 - CD GLN 405 2.50 11 0.20 0.43 + + + ++++*+ ++ VdW C GLN 405 - H GLN 407 2.45 12 0.21 0.43 + +++ + ++++ * ++ VdW HA ARG 408 - CD PRO 409 2.60 8 0.15 0.30 ++ + + + + *+ VdW CB PRO 409 - H GLY 410 2.55 14 0.24 0.37 + +++ +++++ +*++ + VdW HB2 PRO 409 - N GLY 410 2.45 13 0.20 0.32 ++ +++++ + *++++ VdW HB2 PRO 409 - H GLY 410 1.95 13 0.32 0.58 ++ +++++ + *++++ VdW N GLY 410 - CB GLU 414 3.05 7 0.13 0.51 + ++++ * + VdW H GLY 410 - CB GLU 414 2.55 6 0.15 0.67 * +++ + + VdW O GLY 410 - CB SER 411 2.90 13 0.27 0.53 + +++ + +++++ + *+ VdW O GLY 410 - OG SER 411 2.60 7 0.19 0.72 + *++ + + + VdW HA SER 411 - CD PRO 412 2.60 7 0.10 0.30 *+++ + + + VdW CB SER 411 - CD PRO 412 3.20 10 0.27 0.68 *++ +++ + + ++ VdW CB SER 411 - HD2 PRO 412 2.60 11 0.33 0.77 *++ +++++ + ++ VdW HB3 SER 411 - CD PRO 412 2.60 8 0.21 0.69 ++ *+ + + ++ VdW HB3 SER 411 - HD2 PRO 412 2.00 9 0.30 0.93 ++ ++++ + *+ VdW C SER 411 - H GLU 413 2.45 8 0.15 0.38 +++ *+ + + + VdW O GLU 413 - C GLU 414 2.80 9 0.17 0.47 + ++ ++ + *++ VdW O GLU 413 - N ALA 415 2.75 7 0.20 0.71 + *+ + + + + VdW O GLU 413 - N ALA 416 2.75 6 0.15 0.63 + *+ + + + VdW O GLU 414 - CG LEU 418 2.90 8 0.18 0.51 + + *++ + + + VdW O GLU 414 - HG LEU 418 2.30 13 0.29 0.84 + + + *+++++++ ++ VdW C ALA 415 - N ALA 417 2.95 8 0.17 0.51 *+ + ++ + + + VdW C ALA 415 - H ALA 417 2.45 7 0.20 0.74 +* ++ + + + VdW O ALA 415 - C ALA 416 2.80 11 0.18 0.36 ++ *+ + ++ + +++ VdW O ALA 415 - N ALA 417 2.75 8 0.26 0.81 *+ + ++ + + + VdW O ALA 415 - N LEU 418 2.75 14 0.29 0.65 ++ +++++ *+++ +++ VdW N VAL 419 - CG1 VAL 419 2.85 6 0.09 0.24 + + * + ++ VdW H VAL 419 - CG1 VAL 419 2.55 8 0.17 0.45 + + * + ++++ VdW CG2 VAL 419 - C VAL 419 2.90 8 0.13 0.33 + + * + ++++ Angle PHI ALA 42 -75.00 -55.00 10 4.73 12.06 +* + + + + ++ ++ Angle PSI ALA 43 -49.00 -29.00 7 4.42 21.52 + +*++ ++ Angle PHI ARG 44 -71.00 -51.00 6 4.05 11.16 * + + + ++ Angle PSI ARG 44 -54.00 -34.00 18 16.77 41.38 +++++++ + +++++*++++ Angle PHI LEU 45 -72.00 -52.00 13 7.82 23.18 + ++ + * +++++ +++ Angle PSI LEU 45 -52.00 -32.00 7 3.74 13.43 + + + + * ++ Angle PSI ARG 46 -48.00 -28.00 7 4.98 23.42 + +*+ + + + Angle PSI PHE 47 -49.00 -29.00 16 19.30 35.50 ++ + +++ + +*+++++++ Angle PSI ARG 48 -34.00 -4.00 18 17.02 36.66 ++++++++ +++++++*++ Angle PHI CYS 49 -106.00 -66.00 7 3.03 11.34 + +* + + + + Angle PSI CYS 49 -51.00 -5.00 11 13.86 40.70 + ++*+ +++ + ++ Angle PSI PHE 50 120.00 140.00 13 8.84 22.87 ++*+++ ++ + + + ++ Angle PHI HIS 51 -128.00 -90.00 19 21.36 40.01 +++++++++++*+++ ++++ Angle PHI TYR 52 -106.00 -68.00 16 16.97 37.34 ++++ +++ ++ +++*+++ Angle PSI TYR 52 120.00 140.00 11 11.29 38.50 + ++ + ++* ++ ++ Angle PHI GLU 54 -70.00 -50.00 13 17.64 73.68 + *+++ +++++ +++ Angle PHI ALA 55 -80.00 -58.00 20 24.26 51.18 +++++++++++++*++++++ Angle PSI ALA 55 -50.00 -30.00 13 10.56 43.73 + +++ + ++*+++ ++ Angle PHI THR 56 -112.00 -82.00 9 10.01 49.07 +*+ + ++ + + + Angle PSI THR 56 -15.00 15.00 15 33.12 87.09 + ++ + ++++++*++++ Angle PSI PRO 58 -41.00 -31.00 20 70.23 116.85 +++++*++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 20 54.49 94.11 ++++++++++*+++++++++ Angle PSI GLN 59 -46.00 -26.00 9 18.28 68.63 + +* ++ + +++ Angle PHI GLU 60 -75.00 -55.00 14 18.93 65.60 ++++ + +++ + + +*++ Angle PSI GLU 60 -54.00 -34.00 19 16.58 40.95 +++++ +++++++++++*++ Angle PHI ALA 61 -72.00 -52.00 18 16.15 32.03 + +++++ +++++++*++++ Angle PSI ALA 61 -53.00 -33.00 6 3.10 17.48 + + + + * + Angle PHI LEU 62 -71.00 -51.00 7 5.25 23.81 + +++ * + + Angle PSI LEU 62 -53.00 -33.00 19 38.59 61.51 ++++ ++*++++++++++++ Angle PHI ALA 63 -76.00 -56.00 19 28.55 58.16 ++++ ++++++*++++++++ Angle PSI ALA 63 -48.00 -28.00 15 10.94 27.57 ++++* ++++ ++++ ++ Angle PHI GLN 64 -78.00 -58.00 19 26.43 41.03 ++++++++ *++++++++++ Angle PSI GLN 64 -51.00 -31.00 19 36.57 79.90 +++++ ++++++*+++++++ Angle PHI LEU 65 -71.00 -51.00 18 35.54 59.00 *++++ + ++++++++++++ Angle PSI LEU 65 -52.00 -32.00 19 34.87 66.42 ++++++ *++++++++++++ Angle PHI ARG 66 -76.00 -56.00 19 32.94 61.66 +++++++++++++++*+ ++ Angle PSI ARG 66 -50.00 -30.00 12 19.88 88.45 ++ + ++++ ++++ * Angle PHI GLU 67 -79.00 -59.00 15 29.37 88.17 ++++ +*++ +++++++ Angle PSI GLU 67 -50.00 -30.00 17 41.85 78.60 ++ + ++* +++++++++++ Angle PHI LEU 68 -74.00 -54.00 16 12.06 36.00 +++ +++++ + +++++ *+ Angle PSI LEU 68 -52.00 -32.00 14 9.77 24.19 + *++ +++++ +++++ Angle PHI CYS 69 -76.00 -56.00 18 22.68 62.41 ++*++++++++++++++ + Angle PSI CYS 69 -50.00 -30.00 20 30.93 108.43 ++++++++++*+++++++++ Angle PHI ARG 70 -73.00 -53.00 20 34.62 50.90 ++++++++++++++++++*+ Angle PSI ARG 70 -51.00 -31.00 7 4.50 19.03 + + ++ +*+ Angle PSI GLN 71 -47.00 -17.00 20 37.59 58.64 +++++++++++++++++*++ Angle PHI GLU 76 -78.00 -58.00 18 20.49 43.78 ++ +++*++++++++++++ Angle PSI GLU 76 -40.00 -6.00 8 6.76 31.38 ++ +++* + + Angle PSI VAL 77 -29.00 -5.00 12 13.18 35.96 ++ +++ ++ + +++* Angle PHI SER 79 -113.00 -71.00 9 8.11 44.10 +*+ ++ + + ++ Angle PSI SER 79 155.00 175.00 11 7.72 31.94 +++ + ++ + + +*+ Angle PHI LYS 80 -69.00 -49.00 20 28.67 43.81 +++++++++++++++++*++ Angle PSI LYS 80 -48.00 -28.00 19 32.75 56.55 ++++*++++++++++++ ++ Angle PHI GLU 81 -73.00 -53.00 18 36.87 68.45 +++++++ +++*+++++ ++ Angle PSI GLU 81 -50.00 -30.00 7 12.16 54.94 + ++ + * ++ Angle PHI GLN 82 -76.00 -56.00 14 8.90 31.37 ++++++++ +*+ + ++ Angle PSI GLN 82 -48.00 -28.00 14 10.33 26.47 ++ * ++++++++ + ++ Angle PHI MET 83 -75.00 -55.00 19 17.36 34.21 + +++++*++++++++++++ Angle PSI MET 83 -52.00 -32.00 10 5.48 20.31 + * ++ +++++ + Angle PHI LEU 84 -73.00 -53.00 8 4.84 22.23 + * ++++ + + Angle PSI LEU 84 -52.00 -32.00 19 27.87 92.35 +++++*+++ ++++++++++ Angle PHI GLU 85 -75.00 -55.00 10 7.88 35.68 +++ * +++ ++ + Angle PSI GLU 85 -54.00 -34.00 11 14.20 66.95 ++ *+++ +++ + + Angle PHI LEU 86 -74.00 -54.00 19 23.59 51.04 +++ *+++++++++++++++ Angle PSI LEU 86 -51.00 -31.00 19 43.77 83.51 ++++ +++++*+++++++++ Angle PHI LEU 87 -77.00 -57.00 14 18.26 70.25 +++ +++++ ++ +* ++ Angle PSI LEU 87 -51.00 -31.00 16 38.10 115.48 ++ +*+++++ ++ +++++ Angle PHI VAL 88 -78.00 -58.00 18 35.10 78.70 + +*+++ ++++++++++++ Angle PSI VAL 88 -55.00 -35.00 17 35.24 95.92 ++++ ++++++++ ++ *++ Angle PHI LEU 89 -70.00 -50.00 14 31.95 70.92 ++ ++++ + + +++++* Angle PSI LEU 89 -57.00 -37.00 20 75.96 161.29 ++*+++++++++++++++++ Angle PHI GLU 90 -73.00 -53.00 18 39.12 119.44 ++*++++ + ++++++++++ Angle PSI GLU 90 -52.00 -32.00 13 16.42 61.39 + ++ +++ + +++*++ Angle PHI GLN 91 -74.00 -54.00 19 45.83 85.48 +++*+++ ++++++++++++ Angle PSI GLN 91 -46.00 -26.00 13 30.18 106.91 +* + +++ +++ + ++ + Angle PHI PHE 92 -74.00 -54.00 18 30.13 86.44 +++++++++*++++++++ Angle PSI PHE 92 -55.00 -35.00 16 36.59 95.87 +++++++ * + + ++++++ Angle PHI LEU 93 -72.00 -52.00 9 10.55 50.62 +* ++ + ++ ++ Angle PSI LEU 93 -49.00 -29.00 18 47.96 98.50 ++++ ++*++++++++ +++ Angle PHI GLY 94 -80.00 -56.00 19 55.94 106.25 ++++ ++*++++++++++++ Angle PSI GLY 94 -46.00 -8.00 10 10.73 69.27 ++ + + + +++ * + Angle PSI PRO 98 -46.00 -28.00 11 14.32 47.20 ++ + ++ +++* ++ Angle PHI GLU 99 -76.00 -56.00 13 7.69 18.29 ++ + + +++++ +++* Angle PHI ILE 100 -73.00 -53.00 18 32.98 48.74 ++++++++++++*+++++ Angle PSI ILE 100 -52.00 -32.00 11 6.77 16.90 + + + +++*++ ++ Angle PHI GLN 101 -71.00 -51.00 9 7.43 23.73 ++* + ++ + + + Angle PSI GLN 101 -51.00 -31.00 12 8.30 17.66 + + *+ + +++++ + + Angle PHI ALA 102 -72.00 -52.00 15 10.17 33.98 ++ +*++ + ++++ +++ + Angle PSI ALA 102 -51.00 -31.00 11 6.13 18.06 + + ++ ++++++* Angle PHI ARG 103 -73.00 -53.00 7 4.16 14.30 +++ * ++ + Angle PSI ARG 103 -53.00 -33.00 8 5.57 27.51 +*+ + + + + + Angle PHI VAL 104 -77.00 -57.00 12 6.06 18.04 ++ + +++ ++ ++ +* Angle PSI GLN 105 -52.00 -30.00 18 13.11 27.94 +++++++*+ +++++++++ Angle PHI GLY 106 -79.00 -59.00 11 6.12 16.90 ++ ++ + ++ + ++* Angle PSI GLY 106 -40.00 -6.00 10 7.19 38.01 + ++ +++ ++ +* Angle PHI GLY 110 58.00 92.00 20 84.73 149.99 ++++++++*+++++++++++ Angle PSI GLY 110 -10.00 46.00 15 14.76 30.96 *+++ + +++++ +++++ Angle PSI PRO 112 -44.00 -28.00 18 37.71 104.23 ++++++ +++++++ ++++* Angle PHI GLU 113 -75.00 -55.00 18 39.79 109.04 ++++++++ ++++++ +++* Angle PSI GLU 113 -51.00 -31.00 14 13.77 36.70 + + ++*++++ +++ ++ Angle PHI GLU 114 -74.00 -54.00 14 18.08 54.71 +++++ *+ + ++ ++ ++ Angle PSI GLU 114 -54.00 -34.00 10 10.42 27.89 ++ * +++++ ++ Angle PHI ALA 115 -76.00 -56.00 8 8.03 54.89 +++* + + ++ Angle PSI ALA 115 -49.00 -29.00 9 11.36 34.08 *+ + +++ +++ Angle PHI ALA 116 -73.00 -53.00 16 13.01 23.25 ++ +++ +++*+++++++ Angle PSI ALA 116 -50.00 -30.00 16 14.76 33.57 *++++ +++++++++ ++ Angle PHI ALA 117 -74.00 -54.00 15 23.50 53.17 + +++ ++*++++++ ++ Angle PHI LEU 118 -79.00 -59.00 13 11.25 27.61 + ++ ++*+++++ ++ Angle PSI VAL 119 -53.00 -33.00 9 5.25 23.18 + * + + +++++ Angle PHI ASP 120 -69.00 -49.00 8 5.82 21.36 + ++++ * ++ Angle PSI ASP 120 -52.00 -32.00 12 10.01 26.26 + + + +*+ ++++ ++ Angle PHI GLY 121 -84.00 -58.00 16 12.83 28.47 + ++++ +++++++*+ ++ Angle PHI LEU 122 -91.00 -55.00 6 5.21 20.90 +* + ++ + Angle PHI ARG 344 -71.00 -51.00 7 4.91 19.81 +* + + ++ + Angle PSI ARG 344 -54.00 -34.00 18 16.11 40.24 ++++*++++++ +++++++ Angle PSI LEU 345 -52.00 -32.00 6 3.40 15.20 + + + * ++ Angle PSI ARG 346 -48.00 -28.00 16 13.42 27.28 ++ + +++ + ++*++++++ Angle PHI PHE 347 -74.00 -54.00 9 4.94 13.94 + + * + ++ + ++ Angle PSI PHE 347 -49.00 -29.00 16 14.99 30.76 ++++*++ +++ + +++ ++ Angle PSI ARG 348 -34.00 -4.00 14 18.35 44.24 *+++++ +++ +++ ++ Angle PHI CYS 349 -106.00 -66.00 8 3.60 11.53 + * + + + ++ + Angle PSI CYS 349 -51.00 -5.00 14 17.82 55.83 ++ + +++ + + *+ ++++ Angle PSI PHE 350 120.00 140.00 14 11.23 22.88 ++ +++ + +++ +* + ++ Angle PHI HIS 351 -128.00 -90.00 18 19.54 35.28 ++++++ + ++*++++++++ Angle PSI HIS 351 99.00 143.00 8 4.27 12.54 + + ++ * ++ + Angle PHI TYR 352 -106.00 -68.00 7 7.64 36.34 +* ++ ++ + Angle PSI TYR 352 120.00 140.00 12 9.39 20.72 ++ * ++ ++ +++ ++ Angle PHI GLU 354 -70.00 -50.00 6 2.52 7.23 + + +++ * Angle PSI GLU 354 -38.00 -16.00 7 5.76 47.48 ++ + * + + + Angle PHI ALA 355 -80.00 -58.00 17 15.02 41.20 +++++*++ ++ +++++++ Angle PSI ALA 355 -50.00 -30.00 16 12.36 31.65 ++ + +++* +++++++++ Angle PHI THR 356 -112.00 -82.00 8 4.27 13.38 + + ++ + * + + Angle PSI THR 356 -15.00 15.00 17 17.24 40.56 +++++ ++++*++ ++++ + Angle PSI PRO 358 -41.00 -31.00 20 74.30 129.52 ++++++++++++++*+++++ Angle PHI GLN 359 -77.00 -57.00 20 60.35 124.82 ++++++++++++++*+++++ Angle PSI GLN 359 -46.00 -26.00 16 25.74 60.51 ++ ++ *++ +++++++++ Angle PHI GLU 360 -75.00 -55.00 16 17.29 42.53 ++++++*++++ ++ + ++ Angle PSI GLU 360 -54.00 -34.00 14 7.22 18.30 ++++++*+ ++ + + ++ Angle PHI ALA 361 -72.00 -52.00 18 13.75 29.88 +++++++*++++ ++++++ Angle PHI LEU 362 -71.00 -51.00 15 14.19 45.72 + + ++++ *++ ++++++ Angle PSI LEU 362 -53.00 -33.00 18 31.06 79.47 +++++++ +++++++* +++ Angle PHI ALA 363 -76.00 -56.00 17 35.39 82.00 + + ++ ++++++++*++++ Angle PSI ALA 363 -48.00 -28.00 9 11.97 46.14 + ++ ++ +* ++ Angle PHI GLN 364 -78.00 -58.00 19 28.60 48.99 +++++++ ++++*+++++++ Angle PSI GLN 364 -51.00 -31.00 16 34.32 81.21 +++ +++ +++++++++ * Angle PHI LEU 365 -71.00 -51.00 19 22.46 46.73 ++++++*+++++++++ +++ Angle PSI LEU 365 -52.00 -32.00 19 37.53 84.33 ++++++* ++++++++++++ Angle PHI ARG 366 -76.00 -56.00 19 32.65 70.54 +++++++++++ ++++++*+ Angle PSI ARG 366 -50.00 -30.00 19 29.43 90.01 +++ *+++++++++++++++ Angle PHI GLU 367 -79.00 -59.00 18 29.09 100.45 ++++++ +*++++++++++ Angle PSI GLU 367 -50.00 -30.00 16 22.65 80.67 +++++++*++ ++++ ++ Angle PHI LEU 368 -74.00 -54.00 8 7.04 28.41 ++ ++ + + * + Angle PSI LEU 368 -52.00 -32.00 17 14.00 53.23 + + *+++++++++++ +++ Angle PHI CYS 369 -76.00 -56.00 17 15.83 29.54 ++++ +*+++++++++++ Angle PSI CYS 369 -50.00 -30.00 17 36.52 97.89 ++++++++ * ++ ++++++ Angle PHI ARG 370 -73.00 -53.00 16 25.99 59.00 +++ * ++++++++ + +++ Angle PSI ARG 370 -51.00 -31.00 7 4.90 16.96 * ++ ++++ Angle PSI GLN 371 -47.00 -17.00 20 27.87 52.55 ++*+++++++++++++++++ Angle PHI GLU 376 -78.00 -58.00 19 25.43 53.60 +++++++ ++++++*+++++ Angle PSI GLU 376 -40.00 -6.00 10 9.42 33.36 + + + +++*+ ++ Angle PHI VAL 377 -118.00 -86.00 8 5.35 22.88 + + +++ +* + Angle PSI VAL 377 -29.00 -5.00 14 14.11 35.94 + +++++ *+++++++ Angle PHI SER 379 -113.00 -71.00 14 9.28 22.15 ++ ++ +++ * ++++ + + Angle PHI LYS 380 -69.00 -49.00 20 23.83 38.51 ++++++++++++++*+++++ Angle PSI LYS 380 -48.00 -28.00 19 27.63 40.08 ++ +++++++++++++++*+ Angle PHI GLU 381 -73.00 -53.00 15 26.08 59.01 ++ +*++++++++ + + + Angle PSI GLU 381 -50.00 -30.00 11 10.96 49.26 + + + ++ +++*+ + Angle PHI GLN 382 -76.00 -56.00 6 3.60 15.49 * + + ++ + Angle PSI GLN 382 -48.00 -28.00 9 8.05 29.15 + ++ + *++ + + Angle PHI MET 383 -75.00 -55.00 15 14.84 34.65 +++ ++ + + ++++++*+ Angle PSI MET 383 -52.00 -32.00 6 3.27 17.82 ++* ++ + Angle PHI LEU 384 -73.00 -53.00 11 8.14 27.38 +++++ +* + ++ + Angle PSI LEU 384 -52.00 -32.00 20 34.79 63.37 ++++++++++++++*+++++ Angle PHI GLU 385 -75.00 -55.00 11 7.57 23.86 + *+ ++++ + +++ Angle PSI GLU 385 -54.00 -34.00 15 17.53 47.93 + ++*++++ + + +++ ++ Angle PHI LEU 386 -74.00 -54.00 20 28.97 59.02 ++++*+++++++++++++++ Angle PSI LEU 386 -51.00 -31.00 19 45.78 96.59 +*++++++++ +++++++++ Angle PHI LEU 387 -77.00 -57.00 16 15.47 42.68 +++++++ +*+++ ++ ++ Angle PSI LEU 387 -51.00 -31.00 18 42.20 85.92 ++* +++++++ ++++++++ Angle PHI VAL 388 -78.00 -58.00 18 38.95 78.85 ++++ +++++++*++++++ Angle PSI VAL 388 -55.00 -35.00 17 48.39 112.96 ++++++++++++ ++ *++ Angle PHI LEU 389 -70.00 -50.00 17 38.83 155.88 + + ++ +++++++++*+++ Angle PSI LEU 389 -57.00 -37.00 18 71.03 106.59 ++*+++++ +++++++++ + Angle PHI GLU 390 -73.00 -53.00 19 34.24 65.25 ++*+++++++++ +++++++ Angle PSI GLU 390 -52.00 -32.00 16 30.67 108.02 + + +++++++++*++++ Angle PHI GLN 391 -74.00 -54.00 19 51.63 110.49 ++++++++++++ +++++*+ Angle PSI GLN 391 -46.00 -26.00 19 56.66 117.43 +++++++++++++*++++ + Angle PHI PHE 392 -74.00 -54.00 15 18.27 65.05 ++++++ ++ + *+ ++++ Angle PSI PHE 392 -55.00 -35.00 14 35.02 96.13 + ++ ++++++*++ ++ Angle PHI LEU 393 -72.00 -52.00 10 23.34 78.24 + *+ + + +++ ++ Angle PSI LEU 393 -49.00 -29.00 18 41.18 81.27 ++++++++ +++ +*+++++ Angle PHI GLY 394 -80.00 -56.00 17 44.31 88.11 +++*++ +++++ +++++ + Angle PSI GLY 394 -46.00 -8.00 12 15.20 53.23 ++++ +++* + ++ + Angle PSI PRO 398 -46.00 -28.00 15 13.82 39.66 + + ++++++++ ++*++ Angle PHI GLU 399 -76.00 -56.00 12 7.93 22.70 ++ + +++++ + * ++ Angle PSI GLU 399 -47.00 -27.00 7 3.61 13.11 ++ + + * ++ Angle PHI ILE 400 -73.00 -53.00 17 18.58 49.68 +++*+++++ +++ +++++ Angle PHI GLN 401 -71.00 -51.00 12 9.48 29.10 + ++ ++ +* + ++ ++ Angle PSI GLN 401 -51.00 -31.00 7 5.14 23.01 + +++* + + Angle PHI ALA 402 -72.00 -52.00 10 8.66 44.98 +++ *+ + + + + + Angle PSI ALA 402 -51.00 -31.00 12 7.35 17.50 + * ++ ++++ +++ + Angle PHI ARG 403 -73.00 -53.00 12 9.03 20.59 + ++++* + ++++ + Angle PSI ARG 403 -53.00 -33.00 7 6.24 26.52 * ++ + + ++ Angle PHI VAL 404 -77.00 -57.00 13 8.46 22.31 +++ +++ + ++ + ++* Angle PSI GLN 405 -52.00 -30.00 18 19.69 36.71 +++++* ++++++++++++ Angle PHI GLY 406 -79.00 -59.00 11 5.88 14.98 +++ + +++ *+ + + Angle PSI GLY 406 -40.00 -6.00 6 5.09 29.31 + + + +*+ Angle PHI GLY 410 58.00 92.00 20 42.38 126.66 +*++++++++++++++++++ Angle PSI GLY 410 -10.00 46.00 17 18.39 39.60 +++ +++ +++++++*+ ++ Angle PSI PRO 412 -44.00 -28.00 17 45.87 118.39 +++*+++ ++++ ++++++ Angle PHI GLU 413 -75.00 -55.00 20 58.88 128.55 +++*++++++++++++++++ Angle PSI GLU 413 -51.00 -31.00 14 15.56 51.75 ++ ++ ++ + ++++ + *+ Angle PHI GLU 414 -74.00 -54.00 17 26.32 59.31 + +++ +++ +++++*++++ Angle PSI GLU 414 -54.00 -34.00 11 5.76 17.01 +*++ ++ + +++ + Angle PHI ALA 415 -76.00 -56.00 9 10.43 41.97 + *+ + ++ + + + Angle PSI ALA 415 -49.00 -29.00 15 13.30 33.48 +* ++++ + ++++++ ++ Angle PHI ALA 416 -73.00 -53.00 16 14.30 29.06 +++*++++ + ++++ +++ Angle PSI ALA 416 -50.00 -30.00 9 7.51 27.75 ++ +++ ++ * + Angle PHI ALA 417 -74.00 -54.00 11 13.00 48.51 ++ + +*+ + ++ + + Angle PSI LEU 418 -48.00 -28.00 8 4.59 19.91 + + *++++ + Angle PSI ASP 420 -52.00 -32.00 6 5.00 29.85 ++ + * + + Angle PHI GLY 421 -84.00 -58.00 8 7.08 25.90 +* + + + + ++ Angle PHI LEU 422 -91.00 -55.00 9 4.79 15.22 + ++ + * + + ++ 1413 violated distance constraints. 1243 violated van der Waals constraints. 223 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 2.89 +/- 0.56 A (2.00..3.85 A) Average heavy atom RMSD to mean : 3.42 +/- 0.57 A (2.45..4.28 A)