#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw4 n ASP 332 N 0.00 6.43 -4.68 1.96 2.03 -1.26 -5.01 116.55 116.02 3iw4 n ASP 332 Ca 0.00 -3.18 -0.43 0.00 0.52 0.00 0.00 54.79 51.70 3iw4 n ASP 332 Cb 0.00 -1.01 -0.01 0.00 -0.72 0.00 0.00 41.12 39.38 3iw4 n ASP 332 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3iw4 n ARG 333 N 0.06 1.99 -4.20 -0.67 0.63 -1.26 -5.04 116.66 108.18 3iw4 n ARG 333 Ca 0.36 0.70 -0.17 0.00 -0.92 0.00 0.00 57.85 57.82 3iw4 n ARG 333 Cb 0.64 -2.26 -0.11 0.00 0.45 0.00 0.00 32.46 31.18 3iw4 n ARG 333 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3iw4 s VAL 334 N -1.10 1.16 0.00 5.15 -7.23 -1.26 -5.17 120.40 111.95 3iw4 s VAL 334 Ca 0.56 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3iw4 s VAL 334 Cb -0.58 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.05 3iw4 s VAL 334 CO 0.62 -0.37 0.00 2.29 -0.31 0.00 0.00 175.10 177.32 3iw4 n LYS 335 N 0.83 2.66 0.22 4.82 2.85 -1.26 -4.92 118.16 123.36 3iw4 n LYS 335 Ca -0.18 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.95 3iw4 n LYS 335 Cb 0.56 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.87 3iw4 n LYS 335 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 3iw4 h LEU 336 N 0.00 -0.51 -1.32 -5.58 5.85 -1.99 -3.24 115.31 108.53 3iw4 h LEU 336 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3iw4 h LEU 336 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3iw4 h LEU 336 CO 0.00 -0.13 0.36 0.74 -0.34 0.00 0.00 178.44 179.07 3iw4 h THR 337 N -0.95 0.00 0.00 1.05 2.02 -2.03 -1.64 112.91 111.36 3iw4 h THR 337 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.12 3iw4 h THR 337 Cb 0.57 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3iw4 h THR 337 CO 0.10 0.00 0.00 0.47 0.37 0.00 0.00 175.52 176.46 3iw4 n ASP 338 N -2.45 0.00 -4.10 4.18 8.00 -1.22 -4.80 116.55 116.16 3iw4 n ASP 338 Ca -0.01 -1.04 -0.20 0.00 0.71 0.00 0.00 54.79 54.24 3iw4 n ASP 338 Cb 0.39 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.35 3iw4 n ASP 338 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iw4 s PHE 339 N -2.00 1.12 -0.37 1.24 0.08 -0.62 -0.03 117.98 117.39 3iw4 s PHE 339 Ca 0.04 -0.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.75 3iw4 s PHE 339 Cb 0.02 -0.69 0.07 0.00 -0.57 0.00 0.00 43.02 41.85 3iw4 s PHE 339 CO 0.03 0.01 0.15 -0.80 -0.10 0.00 0.00 175.22 174.51 3iw4 s ASN 340 N -0.75 5.31 -0.48 1.36 -0.87 -0.57 -4.86 114.94 114.09 3iw4 s ASN 340 Ca 0.02 -1.50 -0.27 0.00 -1.57 0.00 0.00 52.86 49.54 3iw4 s ASN 340 Cb -0.06 -1.86 -0.05 0.00 -0.02 0.00 0.00 41.25 39.26 3iw4 s ASN 340 CO 0.00 -0.43 2.14 -0.36 -2.57 0.00 0.00 177.10 175.88 3iw4 s PHE 341 N 1.31 1.36 0.00 2.20 0.08 -1.26 -2.84 117.98 118.83 3iw4 s PHE 341 Ca 0.02 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.14 3iw4 s PHE 341 Cb -0.21 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.38 3iw4 s PHE 341 CO -0.00 -2.70 0.08 1.28 -0.10 0.00 0.00 175.22 173.78 3iw4 n LEU 342 N 13.70 1.04 0.00 -0.37 4.77 -0.71 -4.55 117.00 130.87 3iw4 n LEU 342 Ca 0.29 0.08 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 3iw4 n LEU 342 Cb 0.52 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3iw4 n LEU 342 CO 0.70 0.00 -0.12 1.15 -1.33 0.00 0.00 177.39 177.80 3iw4 n MET 343 N -0.26 0.49 -3.35 3.23 0.00 -1.20 -4.56 117.12 111.46 3iw4 n MET 343 Ca 0.00 -3.01 -0.38 0.00 0.00 0.00 0.00 57.70 54.31 3iw4 n MET 343 Cb 0.00 2.05 -0.07 0.00 0.00 0.00 0.00 33.22 35.20 3iw4 n MET 343 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3iw4 s VAL 344 N -3.06 5.18 0.11 3.17 1.01 -1.26 -0.63 120.40 124.92 3iw4 s VAL 344 Ca 0.27 0.76 -0.12 0.00 0.00 0.00 0.00 61.98 62.89 3iw4 s VAL 344 Cb 0.01 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 3iw4 s VAL 344 CO 0.19 0.23 1.36 -0.07 0.00 0.00 0.00 175.10 176.81 3iw4 h LEU 345 N 7.75 0.97 0.00 3.92 3.38 0.09 -3.45 115.31 127.97 3iw4 h LEU 345 Ca -0.35 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.04 3iw4 h LEU 345 Cb 1.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3iw4 h LEU 345 CO 0.72 1.38 0.00 0.61 0.09 0.00 0.00 178.44 181.24 3iw4 n GLY 346 N 0.53 0.90 3.47 0.83 0.00 -0.97 -4.98 105.19 104.96 3iw4 n GLY 346 Ca -0.06 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 3iw4 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iw4 s LYS 347 N -2.00 1.92 0.00 1.61 1.02 -1.26 -1.47 119.74 119.56 3iw4 s LYS 347 Ca 0.00 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.91 3iw4 s LYS 347 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 3iw4 s LYS 347 CO 0.00 0.51 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 3iw4 n GLY 348 N 1.20 0.59 0.34 -3.33 0.00 0.13 -4.97 105.19 99.16 3iw4 n GLY 348 Ca -0.16 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.19 3iw4 n GLY 348 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iw4 h SER 349 N 0.00 0.38 0.00 1.61 4.64 -2.05 0.35 113.55 118.48 3iw4 h SER 349 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3iw4 h SER 349 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3iw4 h SER 349 CO 0.00 0.24 0.00 2.22 -0.87 0.00 0.00 176.83 178.42 3iw4 n PHE 350 N -4.47 0.00 -1.99 4.77 -1.74 -1.26 -4.97 117.46 107.80 3iw4 n PHE 350 Ca 0.09 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.98 3iw4 n PHE 350 Cb 0.32 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.32 3iw4 n PHE 350 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3iw4 n GLY 351 N -0.03 0.67 3.10 4.97 0.00 0.12 -4.84 105.19 109.18 3iw4 n GLY 351 Ca 0.04 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 3iw4 n GLY 351 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iw4 s LYS 352 N 0.00 2.66 -0.14 1.61 2.20 -1.25 0.18 119.74 125.00 3iw4 s LYS 352 Ca 0.00 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.86 3iw4 s LYS 352 Cb 0.00 -2.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.05 3iw4 s LYS 352 CO 0.00 -0.09 0.00 0.08 -0.36 0.00 0.00 175.35 174.98 3iw4 s VAL 353 N 1.04 4.28 -0.04 4.02 1.01 -0.54 -0.62 120.40 129.54 3iw4 s VAL 353 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.77 3iw4 s VAL 353 Cb -0.15 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3iw4 s VAL 353 CO -0.05 0.52 -0.21 -0.32 0.00 0.00 0.00 175.10 175.04 3iw4 s MET 354 N -0.06 2.35 0.17 2.72 1.75 -0.20 0.79 119.30 126.81 3iw4 s MET 354 Ca 0.04 -0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 53.34 3iw4 s MET 354 Cb -0.13 -2.19 -0.07 0.00 2.84 0.00 0.00 34.83 35.28 3iw4 s MET 354 CO 0.02 0.55 0.97 -1.17 -0.65 0.00 0.00 175.02 174.74 3iw4 s LEU 355 N -0.56 4.55 0.14 4.11 2.96 0.20 -1.27 118.68 128.80 3iw4 s LEU 355 Ca 0.08 1.90 -0.18 0.00 -0.22 0.00 0.00 54.13 55.71 3iw4 s LEU 355 Cb -0.11 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.03 3iw4 s LEU 355 CO 0.00 -0.00 0.46 0.00 -1.32 0.00 0.00 176.35 175.50 3iw4 s ALA 356 N -0.49 -1.13 0.09 5.97 0.00 -0.79 -1.74 121.76 123.67 3iw4 s ALA 356 Ca 0.45 0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.58 3iw4 s ALA 356 Cb -0.25 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3iw4 s ALA 356 CO 0.32 -0.69 -0.10 0.16 0.00 0.00 0.00 175.76 175.45 3iw4 s ASP 357 N -2.79 4.42 -0.01 0.00 1.47 -1.13 -0.78 116.67 117.85 3iw4 s ASP 357 Ca 0.03 -0.36 -0.30 0.00 1.18 0.00 0.00 52.55 53.10 3iw4 s ASP 357 Cb 0.01 -0.86 -0.07 0.00 -0.34 0.00 0.00 42.92 41.66 3iw4 s ASP 357 CO -0.12 0.19 1.66 -0.60 0.68 0.00 0.00 175.17 176.99 3iw4 s ARG 358 N -2.10 4.19 0.11 2.11 3.52 -0.52 -1.50 118.95 124.74 3iw4 s ARG 358 Ca 0.21 2.25 -0.35 0.00 -0.13 0.00 0.00 55.73 57.71 3iw4 s ARG 358 Cb -0.11 -3.86 -0.14 0.00 -1.56 0.00 0.00 34.95 29.27 3iw4 s ARG 358 CO 0.13 -0.80 1.56 1.63 -0.81 0.00 0.00 175.30 177.00 3iw4 n LYS 359 N 6.60 1.90 -0.14 5.12 5.02 0.95 -2.16 118.16 135.45 3iw4 n LYS 359 Ca 0.17 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3iw4 n LYS 359 Cb 0.42 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 3iw4 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iw4 n GLY 360 N 3.34 1.35 3.59 0.72 0.00 -1.26 -4.99 105.19 107.93 3iw4 n GLY 360 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3iw4 n GLY 360 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iw4 s THR 361 N -2.66 0.97 -0.57 2.61 -4.23 -0.92 -5.04 115.64 105.80 3iw4 s THR 361 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 3iw4 s THR 361 Cb 0.00 -2.41 0.23 0.00 1.34 0.00 0.00 72.50 71.66 3iw4 s THR 361 CO 0.00 0.00 1.57 -0.33 -0.54 0.00 0.00 174.62 175.32 3iw4 h GLU 362 N 1.70 0.00 -6.43 3.99 5.08 -1.96 -3.42 114.58 113.54 3iw4 h GLU 362 Ca -0.39 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.44 3iw4 h GLU 362 Cb 1.28 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.56 3iw4 h GLU 362 CO 0.66 0.00 1.18 -1.21 -1.00 0.00 0.00 179.01 178.64 3iw4 s GLU 363 N -3.17 4.14 -0.06 2.33 2.02 -1.26 -4.90 118.70 117.79 3iw4 s GLU 363 Ca 0.08 2.62 -0.07 0.00 0.02 0.00 0.00 54.97 57.62 3iw4 s GLU 363 Cb 0.10 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 3iw4 s GLU 363 CO 0.66 -0.91 0.20 -0.51 0.02 0.00 0.00 175.26 174.73 3iw4 s LEU 364 N 3.66 4.39 0.05 1.80 1.02 -1.26 -1.45 118.68 126.89 3iw4 s LEU 364 Ca 0.85 0.50 0.01 0.00 0.02 0.00 0.00 54.13 55.52 3iw4 s LEU 364 Cb -0.45 -2.37 -0.03 0.00 0.02 0.00 0.00 46.19 43.36 3iw4 s LEU 364 CO 0.39 0.33 -0.06 -0.31 0.02 0.00 0.00 176.35 176.73 3iw4 s TYR 365 N -1.16 0.62 -0.17 0.29 1.51 0.04 -3.98 117.35 114.49 3iw4 s TYR 365 Ca 0.21 -0.72 -0.10 0.00 -1.01 0.00 0.00 57.07 55.45 3iw4 s TYR 365 Cb -0.13 -0.39 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 3iw4 s TYR 365 CO 0.11 -0.18 0.17 0.00 -1.11 0.00 0.00 175.55 174.54 3iw4 s ALA 366 N -2.48 3.71 -0.19 3.71 0.00 -0.31 -1.88 121.76 124.32 3iw4 s ALA 366 Ca -0.02 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.32 3iw4 s ALA 366 Cb -0.03 -2.18 0.03 0.00 0.00 0.00 0.00 23.12 20.95 3iw4 s ALA 366 CO -0.03 0.24 -0.16 0.42 0.00 0.00 0.00 175.76 176.23 3iw4 s ILE 367 N 0.08 1.90 -0.04 0.00 1.01 -0.40 0.23 121.20 123.98 3iw4 s ILE 367 Ca 0.11 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 3iw4 s ILE 367 Cb -0.12 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.50 3iw4 s ILE 367 CO 0.01 0.38 0.58 -0.75 0.00 0.00 0.00 174.94 175.16 3iw4 s LYS 368 N 1.32 4.33 -0.16 2.79 2.20 0.45 -1.04 119.74 129.64 3iw4 s LYS 368 Ca 0.02 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 3iw4 s LYS 368 Cb -0.14 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 3iw4 s LYS 368 CO -0.11 0.27 -0.18 0.42 -0.36 0.00 0.00 175.35 175.39 3iw4 s ILE 369 N 0.15 2.30 -0.09 5.43 1.01 0.20 -0.66 121.20 129.55 3iw4 s ILE 369 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3iw4 s ILE 369 Cb -0.17 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.32 3iw4 s ILE 369 CO 0.16 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.74 3iw4 s LEU 370 N 1.02 2.77 -0.50 2.97 1.43 0.91 -3.82 118.68 123.45 3iw4 s LEU 370 Ca -0.02 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 3iw4 s LEU 370 Cb -0.15 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.50 3iw4 s LEU 370 CO -0.05 0.25 1.16 -0.54 0.23 0.00 0.00 176.35 177.40 3iw4 s LYS 371 N -0.15 3.66 0.24 1.70 1.02 -1.26 0.41 119.74 125.36 3iw4 s LYS 371 Ca -0.00 0.50 -0.08 0.00 0.02 0.00 0.00 55.97 56.40 3iw4 s LYS 371 Cb -0.13 -3.94 0.37 0.00 -0.52 0.00 0.00 37.83 33.61 3iw4 s LYS 371 CO 0.03 -1.47 1.35 1.63 -0.92 0.00 0.00 175.35 175.98 3iw4 n LYS 372 N 8.01 -0.09 0.09 1.68 5.02 0.12 -0.83 118.16 132.16 3iw4 n LYS 372 Ca 0.11 1.35 0.01 0.00 -2.02 0.00 0.00 58.31 57.77 3iw4 n LYS 372 Cb 0.49 -2.02 0.34 0.00 -0.02 0.00 0.00 35.03 33.82 3iw4 n LYS 372 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3iw4 h ASP 373 N 0.00 0.28 0.19 4.39 2.03 -1.92 -1.71 116.42 119.68 3iw4 h ASP 373 Ca 0.40 -0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 56.63 3iw4 h ASP 373 Cb 0.62 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.05 3iw4 h ASP 373 CO -0.89 0.46 -0.09 0.58 -1.03 0.00 0.00 179.24 178.27 3iw4 h VAL 374 N 0.27 0.91 -0.88 4.15 2.07 -1.36 0.42 116.25 121.84 3iw4 h VAL 374 Ca 0.05 -0.66 0.23 0.00 0.82 0.00 0.00 66.70 67.14 3iw4 h VAL 374 Cb 0.44 1.30 -0.15 0.00 -1.52 0.00 0.00 31.29 31.36 3iw4 h VAL 374 CO 0.03 0.15 0.11 0.58 0.02 0.00 0.00 177.57 178.46 3iw4 h VAL 375 N -0.59 0.23 0.46 2.57 2.07 -1.13 0.67 116.25 120.53 3iw4 h VAL 375 Ca -0.03 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3iw4 h VAL 375 Cb 0.44 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3iw4 h VAL 375 CO 0.04 0.02 -0.22 0.40 0.02 0.00 0.00 177.57 177.83 3iw4 h ILE 376 N 0.11 0.00 -1.26 4.57 2.04 -0.82 0.79 117.51 122.95 3iw4 h ILE 376 Ca 0.53 -0.19 0.39 0.00 1.00 0.00 0.00 64.86 66.60 3iw4 h ILE 376 Cb 1.06 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 3iw4 h ILE 376 CO -0.74 0.00 0.82 1.56 0.00 0.00 0.00 178.15 179.79 3iw4 h GLN 377 N -0.81 0.15 -0.01 2.37 4.20 0.63 1.19 115.11 122.83 3iw4 h GLN 377 Ca -0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3iw4 h GLN 377 Cb 0.47 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3iw4 h GLN 377 CO 0.10 0.10 -0.13 -0.25 -0.67 0.00 0.00 178.83 177.98 3iw4 n ASP 378 N -4.64 0.66 -2.87 1.46 9.92 0.23 -4.92 116.55 116.39 3iw4 n ASP 378 Ca 0.34 -0.72 -0.17 0.00 -0.53 0.00 0.00 54.79 53.70 3iw4 n ASP 378 Cb 1.31 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 41.83 3iw4 n ASP 378 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3iw4 n ASP 379 N -0.81 -4.69 -0.57 -2.24 8.00 0.41 -4.91 116.55 111.74 3iw4 n ASP 379 Ca 0.14 -0.43 0.06 0.00 0.71 0.00 0.00 54.79 55.28 3iw4 n ASP 379 Cb 0.29 -3.99 0.11 0.00 -0.02 0.00 0.00 41.12 37.51 3iw4 n ASP 379 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iw4 n ASP 380 N -2.10 2.51 -0.17 -2.24 8.00 0.26 -4.67 116.55 118.15 3iw4 n ASP 380 Ca -0.04 -1.77 -0.02 0.00 0.71 0.00 0.00 54.79 53.67 3iw4 n ASP 380 Cb 0.56 -0.13 0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3iw4 n ASP 380 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3iw4 h VAL 381 N 2.17 0.52 0.07 2.53 2.07 -1.90 -1.70 116.25 120.01 3iw4 h VAL 381 Ca 0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3iw4 h VAL 381 Cb 0.62 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3iw4 h VAL 381 CO 0.00 0.01 -0.29 -0.08 0.02 0.00 0.00 177.57 177.22 3iw4 h GLU 382 N 0.05 -0.47 0.00 1.57 4.57 -1.94 -1.22 114.58 117.14 3iw4 h GLU 382 Ca 0.26 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 3iw4 h GLU 382 Cb 0.40 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 3iw4 h GLU 382 CO -0.49 -0.31 0.00 0.00 -1.18 0.00 0.00 179.01 177.02 3iw4 h THR 384 N 0.00 1.43 -0.42 0.00 2.02 -0.86 -0.13 112.91 114.95 3iw4 h THR 384 Ca 0.00 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 3iw4 h THR 384 Cb 0.70 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 3iw4 h THR 384 CO 0.00 0.34 0.19 0.24 0.37 0.00 0.00 175.52 176.66 3iw4 h MET 385 N -0.50 0.58 -0.27 6.66 2.07 -0.80 -2.23 114.93 120.44 3iw4 h MET 385 Ca 0.00 -0.07 -0.18 0.00 -2.07 0.00 0.00 59.70 57.38 3iw4 h MET 385 Cb 0.57 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.19 3iw4 h MET 385 CO 0.00 0.46 -0.53 0.28 1.07 0.00 0.00 176.91 178.20 3iw4 h VAL 386 N 0.58 1.28 -0.67 -2.22 2.07 -0.93 -2.34 116.25 114.03 3iw4 h VAL 386 Ca 0.15 -1.72 0.05 0.00 0.82 0.00 0.00 66.70 65.99 3iw4 h VAL 386 Cb 0.08 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3iw4 h VAL 386 CO -0.02 0.56 0.38 -0.08 0.02 0.00 0.00 177.57 178.43 3iw4 h GLU 387 N 0.60 0.70 -0.61 1.57 4.81 -0.74 0.58 114.58 121.50 3iw4 h GLU 387 Ca 0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3iw4 h GLU 387 Cb 1.15 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3iw4 h GLU 387 CO 0.12 0.46 0.32 -0.22 -0.73 0.00 0.00 179.01 178.96 3iw4 h LYS 388 N 0.72 0.86 -0.11 1.92 3.11 -1.31 0.48 116.57 122.23 3iw4 h LYS 388 Ca 0.29 -0.11 -0.03 0.00 -2.81 0.00 0.00 60.65 58.00 3iw4 h LYS 388 Cb 0.15 -0.16 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 3iw4 h LYS 388 CO -0.16 0.67 -0.04 0.00 -2.81 0.00 0.00 179.45 177.11 3iw4 h ARG 389 N 0.83 0.22 -0.57 1.90 3.08 -0.80 -0.32 114.38 118.73 3iw4 h ARG 389 Ca 0.21 -0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.28 3iw4 h ARG 389 Cb 0.07 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.02 3iw4 h ARG 389 CO -0.03 0.55 0.09 0.28 -1.07 0.00 0.00 179.97 179.78 3iw4 h VAL 390 N -0.11 0.62 0.00 2.04 2.07 0.43 0.11 116.25 121.41 3iw4 h VAL 390 Ca 0.03 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3iw4 h VAL 390 Cb 0.47 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3iw4 h VAL 390 CO 0.01 0.04 -0.28 -0.07 0.02 0.00 0.00 177.57 177.29 3iw4 h LEU 391 N 0.21 0.00 -0.00 2.57 3.38 0.14 -3.06 115.31 118.55 3iw4 h LEU 391 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3iw4 h LEU 391 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iw4 h LEU 391 CO -0.41 0.28 -0.09 0.00 0.09 0.00 0.00 178.44 178.31 3iw4 n ALA 392 N -2.48 2.56 -1.55 1.53 0.00 -0.04 -4.62 120.51 115.90 3iw4 n ALA 392 Ca -0.02 -0.15 -0.45 0.00 0.00 0.00 0.00 53.44 52.82 3iw4 n ALA 392 Cb 0.33 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3iw4 n ALA 392 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iw4 n LEU 393 N -1.49 1.19 -4.85 0.00 4.77 -0.78 -4.94 117.00 110.89 3iw4 n LEU 393 Ca 0.07 1.15 -0.32 0.00 -0.03 0.00 0.00 56.01 56.89 3iw4 n LEU 393 Cb 0.34 -1.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 3iw4 n LEU 393 CO 0.28 -1.76 0.52 -0.76 -1.33 0.00 0.00 177.39 174.34 3iw4 s LEU 394 N 0.93 3.85 -0.69 2.23 1.43 -1.26 -4.29 118.68 120.88 3iw4 s LEU 394 Ca 0.60 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3iw4 s LEU 394 Cb -0.73 -4.20 0.00 0.00 0.03 0.00 0.00 46.19 41.28 3iw4 s LEU 394 CO 0.59 -0.39 0.00 0.47 0.23 0.00 0.00 176.35 177.25 3iw4 n ASP 395 N -1.07 -3.81 -4.68 2.29 8.00 -1.26 -4.97 116.55 111.05 3iw4 n ASP 395 Ca 0.04 0.16 -0.45 0.00 0.71 0.00 0.00 54.79 55.25 3iw4 n ASP 395 Cb 0.54 -1.88 -0.04 0.00 -0.02 0.00 0.00 41.12 39.72 3iw4 n ASP 395 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iw4 n LYS 396 N -2.78 2.37 -0.85 -1.24 5.02 -1.26 -4.96 118.16 114.46 3iw4 n LYS 396 Ca -0.06 0.86 -0.34 0.00 -2.02 0.00 0.00 58.31 56.75 3iw4 n LYS 396 Cb 0.22 -2.68 0.10 0.00 -0.02 0.00 0.00 35.03 32.64 3iw4 n LYS 396 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3iw4 n PRO 397 N 4.68 -0.23 0.22 1.97 -0.04 -1.26 -4.85 135.00 135.48 3iw4 n PRO 397 Ca 0.18 -0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.75 3iw4 n PRO 397 Cb 0.32 -1.60 0.78 0.00 -0.04 0.00 0.00 33.50 32.95 3iw4 n PRO 397 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3iw4 h PRO 398 N -1.41 0.00 -0.02 0.54 0.13 -1.92 -3.11 132.00 126.21 3iw4 h PRO 398 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3iw4 h PRO 398 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3iw4 h PRO 398 CO 0.31 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.27 3iw4 n PHE 399 N -2.52 0.01 -4.83 1.56 3.72 -1.26 -4.66 117.46 109.49 3iw4 n PHE 399 Ca -0.02 -0.01 -0.33 0.00 -0.05 0.00 0.00 57.45 57.05 3iw4 n PHE 399 Cb 0.06 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.47 3iw4 n PHE 399 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iw4 s LEU 400 N -1.94 2.79 -0.19 4.37 1.43 -1.18 0.17 118.68 124.14 3iw4 s LEU 400 Ca 0.42 -0.20 -0.40 0.00 -1.03 0.00 0.00 54.13 52.92 3iw4 s LEU 400 Cb 0.21 -1.59 -0.17 0.00 0.03 0.00 0.00 46.19 44.67 3iw4 s LEU 400 CO 0.34 0.31 1.58 0.35 0.23 0.00 0.00 176.35 179.16 3iw4 n THR 401 N 2.55 0.17 -1.94 5.49 -2.24 -0.95 -4.82 114.28 112.54 3iw4 n THR 401 Ca -0.17 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.16 3iw4 n THR 401 Cb 0.52 -0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 67.78 3iw4 n THR 401 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iw4 s GLN 402 N 2.44 4.22 -0.16 -0.78 -0.21 -1.26 -4.95 119.66 118.97 3iw4 s GLN 402 Ca 0.95 2.41 -0.15 0.00 0.02 0.00 0.00 55.36 58.58 3iw4 s GLN 402 Cb -1.10 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 29.83 3iw4 s GLN 402 CO 0.62 -0.41 0.35 -1.17 -2.12 0.00 0.00 175.29 172.56 3iw4 s LEU 403 N -1.52 4.24 -0.12 2.90 2.96 -1.26 -1.60 118.68 124.28 3iw4 s LEU 403 Ca 0.54 0.58 -0.26 0.00 -0.22 0.00 0.00 54.13 54.76 3iw4 s LEU 403 Cb -0.44 -2.46 -0.23 0.00 0.50 0.00 0.00 46.19 43.56 3iw4 s LEU 403 CO 0.55 0.06 0.77 -0.74 -1.32 0.00 0.00 176.35 175.67 3iw4 h HIS 404 N 6.78 -0.01 0.00 5.38 -0.00 0.17 -3.42 115.15 124.04 3iw4 h HIS 404 Ca -0.40 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.96 3iw4 h HIS 404 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3iw4 h HIS 404 CO 0.61 0.84 0.00 -1.13 -0.00 0.00 0.00 177.93 178.26 3iw4 n SER 405 N -4.66 0.00 -4.43 3.26 3.41 -1.16 -1.64 113.62 108.39 3iw4 n SER 405 Ca -0.09 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.27 3iw4 n SER 405 Cb 0.41 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 3iw4 n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iw4 s PHE 407 N -2.17 -0.48 0.10 0.00 -0.12 -1.12 -2.63 117.98 111.56 3iw4 s PHE 407 Ca 0.25 0.59 0.07 0.00 -0.05 0.00 0.00 56.93 57.79 3iw4 s PHE 407 Cb -0.06 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3iw4 s PHE 407 CO 0.12 -0.58 -0.11 1.14 -0.05 0.00 0.00 175.22 175.74 3iw4 s GLN 408 N -2.23 2.11 0.29 1.99 -2.07 -1.26 -1.56 119.66 116.93 3iw4 s GLN 408 Ca -0.02 -1.02 0.02 0.00 -1.82 0.00 0.00 55.36 52.52 3iw4 s GLN 408 Cb -0.01 -2.29 0.05 0.00 -1.09 0.00 0.00 33.01 29.67 3iw4 s GLN 408 CO -0.02 0.51 0.40 -2.37 -1.32 0.00 0.00 175.29 172.49 3iw4 n THR 409 N 0.78 0.00 -0.05 3.63 5.66 0.53 -4.98 114.28 119.84 3iw4 n THR 409 Ca -0.14 -0.79 0.05 0.00 -3.05 0.00 0.00 64.05 60.12 3iw4 n THR 409 Cb 0.52 -0.96 0.41 0.00 -1.55 0.00 0.00 70.33 68.76 3iw4 n THR 409 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 3iw4 h VAL 410 N -0.20 1.07 0.00 1.08 -1.51 -2.02 -3.18 116.25 111.50 3iw4 h VAL 410 Ca -0.13 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3iw4 h VAL 410 Cb 0.55 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 3iw4 h VAL 410 CO 0.17 0.11 0.00 -0.90 -1.23 0.00 0.00 177.57 175.72 3iw4 n ASP 411 N -4.47 1.14 -3.87 4.19 5.68 -1.26 -4.98 116.55 112.97 3iw4 n ASP 411 Ca 0.05 -1.17 -0.10 0.00 -0.50 0.00 0.00 54.79 53.08 3iw4 n ASP 411 Cb 0.12 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.02 3iw4 n ASP 411 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3iw4 s ARG 412 N -0.17 0.66 -0.02 0.11 0.52 -1.20 0.13 118.95 118.98 3iw4 s ARG 412 Ca 0.00 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 3iw4 s ARG 412 Cb 0.00 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.71 3iw4 s ARG 412 CO 0.00 -0.18 -0.16 -0.51 0.02 0.00 0.00 175.30 174.46 3iw4 s LEU 413 N -2.13 2.64 -0.09 2.53 1.43 0.17 -0.35 118.68 122.88 3iw4 s LEU 413 Ca -0.05 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3iw4 s LEU 413 Cb -0.01 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.69 3iw4 s LEU 413 CO -0.04 0.32 -0.12 -0.31 0.23 0.00 0.00 176.35 176.42 3iw4 s TYR 414 N -0.78 1.65 -0.24 0.29 2.02 -0.60 -0.06 117.35 119.62 3iw4 s TYR 414 Ca 0.12 -0.71 -0.09 0.00 -0.37 0.00 0.00 57.07 56.03 3iw4 s TYR 414 Cb -0.11 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.19 3iw4 s TYR 414 CO 0.02 -0.39 0.11 -0.06 -1.57 0.00 0.00 175.55 173.66 3iw4 s PHE 415 N 0.96 3.19 -0.32 2.71 0.40 0.17 -2.79 117.98 122.29 3iw4 s PHE 415 Ca -0.08 -0.08 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3iw4 s PHE 415 Cb -0.15 -2.24 -0.02 0.00 0.51 0.00 0.00 43.02 41.13 3iw4 s PHE 415 CO -0.00 -0.13 0.20 0.08 0.70 0.00 0.00 175.22 176.08 3iw4 s VAL 416 N 1.27 5.04 0.08 -0.44 1.01 0.31 -0.41 120.40 127.25 3iw4 s VAL 416 Ca 0.06 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3iw4 s VAL 416 Cb -0.14 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3iw4 s VAL 416 CO 0.05 0.04 -0.02 -0.04 0.00 0.00 0.00 175.10 175.13 3iw4 s MET 417 N 1.69 2.51 0.29 2.72 -1.94 0.63 0.87 119.30 126.06 3iw4 s MET 417 Ca 0.06 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 52.90 3iw4 s MET 417 Cb -0.17 -2.52 -0.12 0.00 2.01 0.00 0.00 34.83 34.03 3iw4 s MET 417 CO 0.09 0.55 1.51 -0.85 -0.01 0.00 0.00 175.02 176.31 3iw4 n GLU 418 N 0.73 2.47 -2.97 2.03 0.28 -0.63 -1.17 120.64 121.39 3iw4 n GLU 418 Ca -0.12 0.88 -0.40 0.00 -0.16 0.00 0.00 57.16 57.36 3iw4 n GLU 418 Cb 0.52 -2.61 -0.05 0.00 1.43 0.00 0.00 31.44 30.74 3iw4 n GLU 418 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3iw4 s TYR 419 N -0.17 3.69 0.15 -1.84 5.04 -1.26 -4.35 117.35 118.60 3iw4 s TYR 419 Ca 0.64 1.44 0.10 0.00 -2.44 0.00 0.00 57.07 56.81 3iw4 s TYR 419 Cb -0.54 -2.85 -0.04 0.00 0.35 0.00 0.00 41.96 38.88 3iw4 s TYR 419 CO 0.51 0.20 -0.19 0.08 -1.34 0.00 0.00 175.55 174.80 3iw4 s VAL 420 N 0.28 2.69 0.00 3.14 1.01 -1.26 -4.96 120.40 121.29 3iw4 s VAL 420 Ca 0.40 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.67 3iw4 s VAL 420 Cb -0.20 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3iw4 s VAL 420 CO 0.22 0.01 0.00 -3.20 0.00 0.00 0.00 175.10 172.13 3iw4 n ASN 421 N 0.55 1.94 0.01 3.32 2.85 -1.14 -4.81 115.26 117.98 3iw4 n ASN 421 Ca -0.14 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.44 3iw4 n ASN 421 Cb 0.54 0.33 0.49 0.00 1.24 0.00 0.00 39.78 42.38 3iw4 n ASN 421 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3iw4 n GLY 422 N 1.13 -1.33 0.00 8.20 0.00 1.70 -4.73 105.19 110.16 3iw4 n GLY 422 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3iw4 n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iw4 n GLY 423 N 0.89 -1.26 3.90 -0.02 0.00 -1.25 -4.65 105.19 102.81 3iw4 n GLY 423 Ca 0.05 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.19 3iw4 n GLY 423 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iw4 s ASP 424 N -3.94 6.41 0.18 1.61 1.47 -1.26 -1.58 116.67 119.55 3iw4 s ASP 424 Ca 0.00 0.80 -0.20 0.00 1.18 0.00 0.00 52.55 54.32 3iw4 s ASP 424 Cb 0.00 -2.18 0.11 0.00 -0.34 0.00 0.00 42.92 40.51 3iw4 s ASP 424 CO 0.00 -0.31 1.60 -0.07 0.68 0.00 0.00 175.17 177.07 3iw4 h LEU 425 N 1.22 -0.97 -0.99 2.11 3.38 -1.27 -0.26 115.31 118.52 3iw4 h LEU 425 Ca -0.48 0.19 0.14 0.00 0.09 0.00 0.00 57.88 57.82 3iw4 h LEU 425 Cb 1.20 0.49 -0.15 0.00 0.09 0.00 0.00 40.66 42.28 3iw4 h LEU 425 CO 0.64 -0.29 -0.44 0.80 0.09 0.00 0.00 178.44 179.24 3iw4 n MET 426 N -5.42 -0.29 -0.05 1.13 1.56 -1.26 0.39 117.12 113.19 3iw4 n MET 426 Ca 0.03 1.52 -0.08 0.00 -0.27 0.00 0.00 57.70 58.90 3iw4 n MET 426 Cb 0.33 -2.25 -0.02 0.00 2.15 0.00 0.00 33.22 33.43 3iw4 n MET 426 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 3iw4 h TYR 427 N 0.00 -0.19 0.00 1.12 3.20 -1.54 -2.00 116.97 117.57 3iw4 h TYR 427 Ca 0.29 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.09 3iw4 h TYR 427 Cb 0.54 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3iw4 h TYR 427 CO -0.91 -0.13 -0.46 0.45 -1.64 0.00 0.00 178.16 175.46 3iw4 h HIS 428 N -0.04 0.00 -0.08 -3.82 3.86 0.16 -2.05 115.15 113.18 3iw4 h HIS 428 Ca 0.11 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.11 3iw4 h HIS 428 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3iw4 h HIS 428 CO -0.26 0.46 -0.83 0.82 0.86 0.00 0.00 177.93 178.99 3iw4 h ILE 429 N 0.00 1.34 -0.41 2.45 2.04 -0.12 -2.78 117.51 120.03 3iw4 h ILE 429 Ca -0.00 -2.17 0.05 0.00 1.00 0.00 0.00 64.86 63.74 3iw4 h ILE 429 Cb 0.91 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 3iw4 h ILE 429 CO 0.06 0.66 0.28 1.56 0.00 0.00 0.00 178.15 180.71 3iw4 h GLN 430 N 0.36 0.36 -0.86 2.37 4.20 -0.79 0.80 115.11 121.56 3iw4 h GLN 430 Ca -0.06 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.72 3iw4 h GLN 430 Cb 1.44 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 29.08 3iw4 h GLN 430 CO 0.15 0.24 0.56 1.96 -0.67 0.00 0.00 178.83 181.07 3iw4 h GLN 431 N 0.37 0.84 0.00 1.46 1.08 -1.09 -3.29 115.11 114.47 3iw4 h GLN 431 Ca 0.18 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3iw4 h GLN 431 Cb 0.23 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3iw4 h GLN 431 CO -0.04 0.55 -0.01 1.33 -0.95 0.00 0.00 178.83 179.71 3iw4 n VAL 432 N -4.51 0.84 0.00 -0.54 0.24 -0.93 -5.00 118.33 108.43 3iw4 n VAL 432 Ca 0.14 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 3iw4 n VAL 432 Cb 0.29 0.54 0.00 0.00 -1.47 0.00 0.00 33.84 33.20 3iw4 n VAL 432 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iw4 n GLY 433 N -0.46 0.97 3.53 7.63 0.00 0.23 -4.74 105.19 112.35 3iw4 n GLY 433 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3iw4 n GLY 433 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iw4 s LYS 434 N 0.00 0.90 0.31 1.61 -2.85 -1.25 -4.11 119.74 114.35 3iw4 s LYS 434 Ca 0.00 0.08 -0.28 0.00 -1.00 0.00 0.00 55.97 54.77 3iw4 s LYS 434 Cb 0.00 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 3iw4 s LYS 434 CO 0.00 -0.31 1.11 -0.06 0.10 0.00 0.00 175.35 176.19 3iw4 s PHE 435 N -1.65 3.47 0.40 1.78 0.08 -0.75 -5.02 117.98 116.29 3iw4 s PHE 435 Ca -0.05 1.67 -0.27 0.00 0.12 0.00 0.00 56.93 58.40 3iw4 s PHE 435 Cb -0.00 -3.28 -0.10 0.00 -0.57 0.00 0.00 43.02 39.07 3iw4 s PHE 435 CO 0.03 -0.68 1.40 0.15 -0.10 0.00 0.00 175.22 176.02 3iw4 s LYS 436 N -1.70 3.98 0.30 0.44 -0.14 -1.26 -4.68 119.74 116.68 3iw4 s LYS 436 Ca 0.48 2.38 0.05 0.00 -1.36 0.00 0.00 55.97 57.52 3iw4 s LYS 436 Cb -0.31 -2.84 0.74 0.00 -1.68 0.00 0.00 37.83 33.74 3iw4 s LYS 436 CO 0.39 -0.56 1.73 1.49 -0.76 0.00 0.00 175.35 177.64 3iw4 h GLU 437 N 2.77 0.54 -0.14 1.68 4.81 -1.96 -0.32 114.58 121.96 3iw4 h GLU 437 Ca -0.50 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 3iw4 h GLU 437 Cb 1.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3iw4 h GLU 437 CO 0.63 0.36 -0.18 -1.35 -0.73 0.00 0.00 179.01 177.73 3iw4 h PRO 438 N 0.55 0.23 -0.05 0.92 0.11 -1.99 0.15 132.00 131.94 3iw4 h PRO 438 Ca 0.57 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 3iw4 h PRO 438 Cb 1.01 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3iw4 h PRO 438 CO -0.46 0.42 -0.04 0.37 -0.21 0.00 0.00 178.00 178.08 3iw4 h GLN 439 N 0.22 0.11 -0.14 1.05 4.15 -1.47 -2.03 115.11 117.00 3iw4 h GLN 439 Ca 0.04 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.45 3iw4 h GLN 439 Cb 0.46 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 3iw4 h GLN 439 CO 0.03 0.54 -0.23 0.00 -1.93 0.00 0.00 178.83 177.24 3iw4 h ALA 440 N 0.57 -0.20 -1.01 3.38 0.00 -1.00 -0.76 119.26 120.25 3iw4 h ALA 440 Ca 0.01 0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.23 3iw4 h ALA 440 Cb 0.51 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 18.62 3iw4 h ALA 440 CO 0.01 -0.69 0.60 0.28 0.00 0.00 0.00 179.25 179.45 3iw4 h VAL 441 N -0.29 0.47 0.19 0.00 2.07 -0.70 0.28 116.25 118.27 3iw4 h VAL 441 Ca 0.10 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3iw4 h VAL 441 Cb 0.44 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3iw4 h VAL 441 CO -0.30 0.09 -0.09 0.15 0.02 0.00 0.00 177.57 177.44 3iw4 h PHE 442 N 0.49 -0.24 0.14 1.57 3.57 -0.43 -1.77 116.94 120.28 3iw4 h PHE 442 Ca 0.67 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 62.16 3iw4 h PHE 442 Cb 1.39 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 3iw4 h PHE 442 CO -0.01 0.14 -0.10 1.88 -2.23 0.00 0.00 178.31 177.99 3iw4 h TYR 443 N -0.68 -0.26 -0.56 0.41 0.05 -0.49 -1.26 116.97 114.19 3iw4 h TYR 443 Ca -0.03 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.86 3iw4 h TYR 443 Cb 0.48 0.10 -0.09 0.00 1.01 0.00 0.00 36.73 38.23 3iw4 h TYR 443 CO 0.05 -0.16 0.05 0.00 -1.05 0.00 0.00 178.16 177.05 3iw4 h ALA 444 N 0.61 0.59 -0.30 3.88 0.00 -0.50 -0.31 119.26 123.24 3iw4 h ALA 444 Ca -0.01 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3iw4 h ALA 444 Cb 0.22 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3iw4 h ALA 444 CO -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 179.25 178.92 3iw4 h ALA 445 N 1.48 0.30 -0.30 0.00 0.00 -1.03 0.64 119.26 120.35 3iw4 h ALA 445 Ca 0.29 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3iw4 h ALA 445 Cb 0.44 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3iw4 h ALA 445 CO -0.43 -0.38 0.10 0.93 0.00 0.00 0.00 179.25 179.47 3iw4 h GLU 446 N 0.13 0.46 -0.93 0.00 5.08 -0.09 -2.72 114.58 116.51 3iw4 h GLU 446 Ca 0.14 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3iw4 h GLU 446 Cb 0.17 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 3iw4 h GLU 446 CO -0.21 0.50 0.59 0.82 -1.00 0.00 0.00 179.01 179.71 3iw4 h ILE 447 N 0.32 1.07 -0.31 3.13 2.04 -0.84 -1.88 117.51 121.04 3iw4 h ILE 447 Ca 0.10 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3iw4 h ILE 447 Cb 0.23 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 3iw4 h ILE 447 CO -0.00 0.20 0.20 0.77 0.00 0.00 0.00 178.15 179.32 3iw4 h SER 448 N 1.08 0.35 -0.76 1.72 4.64 -0.57 0.11 113.55 120.12 3iw4 h SER 448 Ca 0.40 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3iw4 h SER 448 Cb 0.16 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 3iw4 h SER 448 CO -0.17 0.25 0.48 0.40 -0.87 0.00 0.00 176.83 176.92 3iw4 h ILE 449 N 0.41 1.20 -0.12 0.95 5.03 -1.13 0.26 117.51 124.11 3iw4 h ILE 449 Ca 0.11 -0.41 0.02 0.00 -0.12 0.00 0.00 64.86 64.47 3iw4 h ILE 449 Cb -0.04 0.10 -0.02 0.00 -3.03 0.00 0.00 36.82 33.83 3iw4 h ILE 449 CO -0.02 0.21 -0.03 1.23 -0.68 0.00 0.00 178.15 178.85 3iw4 h GLY 450 N 1.06 0.09 1.68 5.37 0.00 -0.82 -1.82 103.07 108.62 3iw4 h GLY 450 Ca 0.28 0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 3iw4 h GLY 450 CO -0.06 -0.05 -0.27 1.41 0.00 0.00 0.00 176.54 177.58 3iw4 h LEU 451 N -0.00 0.38 -0.43 3.11 3.38 -0.34 -2.22 115.31 119.19 3iw4 h LEU 451 Ca 0.06 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3iw4 h LEU 451 Cb 0.09 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3iw4 h LEU 451 CO -0.13 0.65 0.17 -0.26 0.09 0.00 0.00 178.44 178.96 3iw4 h PHE 452 N 0.34 0.66 0.03 1.13 0.04 -0.36 -0.88 116.94 117.90 3iw4 h PHE 452 Ca 0.05 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 3iw4 h PHE 452 Cb 0.65 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3iw4 h PHE 452 CO 0.02 0.57 -0.02 0.35 -0.60 0.00 0.00 178.31 178.63 3iw4 h PHE 453 N 0.55 -0.04 -0.25 -0.55 3.57 -0.98 -1.76 116.94 117.49 3iw4 h PHE 453 Ca 0.14 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3iw4 h PHE 453 Cb 0.19 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3iw4 h PHE 453 CO 0.00 0.15 -0.14 -0.07 -2.23 0.00 0.00 178.31 176.01 3iw4 h LEU 454 N -0.22 0.41 -0.02 0.59 3.38 -1.31 -2.89 115.31 115.25 3iw4 h LEU 454 Ca -0.00 -0.11 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3iw4 h LEU 454 Cb 0.20 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3iw4 h LEU 454 CO 0.01 0.58 -0.72 0.45 0.09 0.00 0.00 178.44 178.85 3iw4 h HIS 455 N 0.39 0.77 -0.86 1.13 3.86 -0.99 0.17 115.15 119.62 3iw4 h HIS 455 Ca 0.07 -0.40 0.23 0.00 -1.16 0.00 0.00 60.37 59.11 3iw4 h HIS 455 Cb 0.49 -0.09 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 3iw4 h HIS 455 CO 0.01 1.22 0.60 0.87 0.86 0.00 0.00 177.93 181.49 3iw4 h LYS 456 N 0.09 0.15 -0.87 2.45 1.57 -1.22 -0.81 116.57 117.93 3iw4 h LYS 456 Ca -0.09 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.37 3iw4 h LYS 456 Cb 1.41 -0.03 -0.19 0.00 0.08 0.00 0.00 32.23 33.50 3iw4 h LYS 456 CO 0.14 0.10 0.40 0.54 -0.57 0.00 0.00 179.45 180.06 3iw4 n ARG 457 N -4.37 3.01 -2.44 3.15 1.74 -1.10 -4.92 116.66 111.72 3iw4 n ARG 457 Ca 0.18 -2.83 -0.20 0.00 -0.77 0.00 0.00 57.85 54.23 3iw4 n ARG 457 Cb 0.83 -2.13 -0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3iw4 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iw4 n GLY 458 N -0.47 -0.44 3.34 -0.13 0.00 -0.31 -4.67 105.19 102.51 3iw4 n GLY 458 Ca 0.45 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 3iw4 n GLY 458 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iw4 s ILE 459 N -2.99 3.01 -0.17 -0.61 1.01 0.57 0.06 121.20 122.08 3iw4 s ILE 459 Ca 0.04 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.88 3iw4 s ILE 459 Cb -0.02 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3iw4 s ILE 459 CO 0.04 0.51 0.35 -0.63 0.00 0.00 0.00 174.94 175.21 3iw4 s ILE 460 N 0.64 5.26 0.00 2.92 1.01 -0.31 -3.56 121.20 127.16 3iw4 s ILE 460 Ca -0.07 0.64 -0.21 0.00 0.00 0.00 0.00 60.65 61.01 3iw4 s ILE 460 Cb -0.15 -3.68 -0.21 0.00 0.01 0.00 0.00 42.46 38.42 3iw4 s ILE 460 CO 0.03 0.33 1.14 0.22 0.00 0.00 0.00 174.94 176.65 3iw4 h TYR 461 N 6.97 0.52 -0.51 3.97 3.20 -1.88 0.86 116.97 130.09 3iw4 h TYR 461 Ca -0.39 -0.26 -0.18 0.00 3.14 0.00 0.00 58.73 61.05 3iw4 h TYR 461 Cb 1.17 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 3iw4 h TYR 461 CO 0.63 1.04 -0.16 0.54 -1.64 0.00 0.00 178.16 178.57 3iw4 n ARG 462 N -4.33 -1.73 -1.09 1.82 1.74 -1.26 -3.97 116.66 107.85 3iw4 n ARG 462 Ca -0.09 0.75 -0.01 0.00 -0.77 0.00 0.00 57.85 57.73 3iw4 n ARG 462 Cb 0.58 -5.06 -0.02 0.00 -1.02 0.00 0.00 32.46 26.94 3iw4 n ARG 462 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iw4 n ASP 463 N -0.82 -0.02 -4.67 0.55 2.03 -1.26 -4.59 116.55 107.77 3iw4 n ASP 463 Ca -0.09 -1.89 -0.42 0.00 0.52 0.00 0.00 54.79 52.91 3iw4 n ASP 463 Cb 0.52 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 3iw4 n ASP 463 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iw4 s LEU 464 N 0.00 4.37 -0.02 -2.67 2.96 -1.26 -4.82 118.68 117.24 3iw4 s LEU 464 Ca 0.13 2.47 -0.29 0.00 -0.22 0.00 0.00 54.13 56.22 3iw4 s LEU 464 Cb 0.15 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.40 3iw4 s LEU 464 CO -0.07 -0.96 0.86 -1.59 -1.32 0.00 0.00 176.35 173.28 3iw4 s LYS 465 N 3.73 0.84 0.42 1.98 -2.85 -1.26 -4.85 119.74 117.75 3iw4 s LYS 465 Ca 0.79 -0.18 0.16 0.00 -1.00 0.00 0.00 55.97 55.73 3iw4 s LYS 465 Cb -0.39 0.39 1.05 0.00 -2.06 0.00 0.00 37.83 36.83 3iw4 s LYS 465 CO 0.34 -0.34 1.90 -0.07 0.10 0.00 0.00 175.35 177.28 3iw4 h LEU 466 N 2.19 0.40 -1.47 2.77 3.38 -1.94 -0.80 115.31 119.85 3iw4 h LEU 466 Ca -0.23 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3iw4 h LEU 466 Cb 1.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 3iw4 h LEU 466 CO 0.32 0.20 -0.25 -0.78 0.09 0.00 0.00 178.44 178.02 3iw4 h ASP 467 N 0.42 0.00 -0.26 -0.43 3.58 -1.96 -2.14 116.42 115.63 3iw4 h ASP 467 Ca 0.40 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.85 3iw4 h ASP 467 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 3iw4 h ASP 467 CO -0.14 0.25 0.00 0.59 -2.88 0.00 0.00 179.24 177.07 3iw4 n ASN 468 N -3.82 1.43 -3.88 2.28 3.02 -0.30 -4.88 115.26 109.12 3iw4 n ASN 468 Ca -0.02 -1.96 -0.25 0.00 -0.03 0.00 0.00 54.58 52.33 3iw4 n ASN 468 Cb 0.35 -0.17 -0.17 0.00 -0.61 0.00 0.00 39.78 39.18 3iw4 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iw4 s VAL 469 N -1.66 0.81 0.38 2.41 1.01 -0.80 -0.49 120.40 122.06 3iw4 s VAL 469 Ca 0.20 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3iw4 s VAL 469 Cb 0.10 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.56 3iw4 s VAL 469 CO 0.14 0.33 0.05 -0.04 0.00 0.00 0.00 175.10 175.57 3iw4 s MET 470 N 1.65 1.84 -0.02 2.72 -1.94 0.21 -1.06 119.30 122.69 3iw4 s MET 470 Ca 0.02 -2.06 0.05 0.00 -1.71 0.00 0.00 55.69 51.99 3iw4 s MET 470 Cb -0.13 -1.13 -0.03 0.00 2.01 0.00 0.00 34.83 35.55 3iw4 s MET 470 CO -0.06 -0.21 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.09 3iw4 s LEU 471 N -3.61 2.74 0.99 -0.03 1.43 -0.61 -1.09 118.68 118.49 3iw4 s LEU 471 Ca 0.31 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 3iw4 s LEU 471 Cb 0.07 -1.58 0.20 0.00 0.03 0.00 0.00 46.19 44.91 3iw4 s LEU 471 CO 0.15 0.31 1.24 1.51 0.23 0.00 0.00 176.35 179.79 3iw4 s ASP 472 N -1.01 2.87 0.54 2.29 1.47 -0.19 0.47 116.67 123.12 3iw4 s ASP 472 Ca 0.13 0.50 0.23 0.00 1.18 0.00 0.00 52.55 54.59 3iw4 s ASP 472 Cb -0.11 -0.71 1.43 0.00 -0.34 0.00 0.00 42.92 43.20 3iw4 s ASP 472 CO 0.03 -2.90 2.08 0.77 0.68 0.00 0.00 175.17 175.82 3iw4 h SER 473 N -1.75 0.00 0.59 2.11 4.64 -1.91 -1.80 113.55 115.43 3iw4 h SER 473 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3iw4 h SER 473 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3iw4 h SER 473 CO 0.44 0.00 -0.05 -0.62 -0.87 0.00 0.00 176.83 175.72 3iw4 n GLU 474 N -4.27 0.40 -1.33 4.77 -0.58 -1.26 -3.74 120.64 114.62 3iw4 n GLU 474 Ca 0.03 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 3iw4 n GLU 474 Cb 0.35 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3iw4 n GLU 474 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iw4 n GLY 475 N 1.33 0.82 3.81 0.62 0.00 -0.68 -4.61 105.19 106.49 3iw4 n GLY 475 Ca 0.13 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 3iw4 n GLY 475 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iw4 s HIS 476 N -2.00 3.17 0.17 1.61 3.76 -1.26 -4.69 115.29 116.05 3iw4 s HIS 476 Ca 0.00 -0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 54.68 3iw4 s HIS 476 Cb 0.00 -1.51 -0.08 0.00 1.11 0.00 0.00 32.58 32.10 3iw4 s HIS 476 CO 0.00 0.52 0.71 0.96 -0.85 0.00 0.00 174.74 176.08 3iw4 s ILE 477 N -1.78 4.53 -0.10 0.60 -5.25 -1.26 -1.02 121.20 116.92 3iw4 s ILE 477 Ca 0.31 1.42 0.02 0.00 -0.99 0.00 0.00 60.65 61.41 3iw4 s ILE 477 Cb -0.10 -3.97 0.01 0.00 2.95 0.00 0.00 42.46 41.36 3iw4 s ILE 477 CO 0.24 0.39 -0.15 -0.54 -1.79 0.00 0.00 174.94 173.09 3iw4 s LYS 478 N -1.50 2.12 -0.24 0.37 -0.14 -0.25 -4.33 119.74 115.77 3iw4 s LYS 478 Ca 0.37 -0.53 -0.11 0.00 -1.36 0.00 0.00 55.97 54.35 3iw4 s LYS 478 Cb -0.20 -1.79 -0.05 0.00 -1.68 0.00 0.00 37.83 34.12 3iw4 s LYS 478 CO 0.22 -0.04 0.17 0.42 -0.76 0.00 0.00 175.35 175.37 3iw4 s ILE 479 N 0.91 5.35 0.43 2.17 1.01 0.13 -0.62 121.20 130.58 3iw4 s ILE 479 Ca -0.09 0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.81 3iw4 s ILE 479 Cb -0.15 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.85 3iw4 s ILE 479 CO -0.00 0.34 0.35 0.00 0.00 0.00 0.00 174.94 175.63 3iw4 n ALA 480 N 4.29 0.69 -2.75 9.38 0.00 0.36 -2.24 120.51 130.24 3iw4 n ALA 480 Ca -0.15 -1.71 -0.01 0.00 0.00 0.00 0.00 53.44 51.58 3iw4 n ALA 480 Cb 0.52 0.68 0.00 0.00 0.00 0.00 0.00 19.45 20.65 3iw4 n ALA 480 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iw4 n ASP 481 N -1.93 -7.99 -1.43 0.00 -0.08 -1.26 -4.88 116.55 98.98 3iw4 n ASP 481 Ca -0.00 1.35 -0.01 0.00 -1.51 0.00 0.00 54.79 54.62 3iw4 n ASP 481 Cb 0.49 -5.20 0.27 0.00 2.34 0.00 0.00 41.12 39.01 3iw4 n ASP 481 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3iw4 n PHE 482 N 0.67 1.63 0.78 -0.67 3.01 -1.26 -4.76 117.46 116.86 3iw4 n PHE 482 Ca 0.01 -1.19 0.00 0.00 1.01 0.00 0.00 57.45 57.28 3iw4 n PHE 482 Cb 0.05 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.00 3iw4 n PHE 482 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iw4 n GLY 483 N -0.52 1.31 0.81 1.37 0.00 -1.26 -3.32 105.19 103.59 3iw4 n GLY 483 Ca 0.33 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.33 3iw4 n GLY 483 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iw4 n MET 484 N 0.30 0.00 -1.65 1.61 2.81 -1.26 -4.83 117.12 114.10 3iw4 n MET 484 Ca 0.00 -0.84 -0.31 0.00 -1.81 0.00 0.00 57.70 54.74 3iw4 n MET 484 Cb 0.27 0.03 0.05 0.00 -0.71 0.00 0.00 33.22 32.86 3iw4 n MET 484 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iw4 s LYS 486 N -5.12 2.12 0.32 0.00 2.47 0.30 -4.97 119.74 114.85 3iw4 s LYS 486 Ca 0.58 -0.95 0.09 0.00 -1.56 0.00 0.00 55.97 54.13 3iw4 s LYS 486 Cb -0.13 -2.20 -0.06 0.00 -1.46 0.00 0.00 37.83 33.97 3iw4 s LYS 486 CO 0.54 0.55 -0.10 -1.83 0.16 0.00 0.00 175.35 174.68 3iw4 s GLU 487 N -1.35 1.71 -1.19 4.03 -1.05 -1.26 -1.16 118.70 118.43 3iw4 s GLU 487 Ca 0.14 -1.87 -0.07 0.00 -0.15 0.00 0.00 54.97 53.03 3iw4 s GLU 487 Cb -0.10 -1.53 0.01 0.00 -0.44 0.00 0.00 34.13 32.06 3iw4 s GLU 487 CO 0.05 0.13 1.04 0.72 0.95 0.00 0.00 175.26 178.14 3iw4 n HIS 488 N -0.70 -2.49 -3.21 4.83 8.25 -0.45 -4.93 115.22 116.51 3iw4 n HIS 488 Ca -0.05 0.90 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 3iw4 n HIS 488 Cb 0.63 -4.64 -0.01 0.00 1.12 0.00 0.00 29.99 27.09 3iw4 n HIS 488 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3iw4 n MET 489 N -4.43 3.83 -0.20 -0.41 2.81 0.11 -4.93 117.12 113.89 3iw4 n MET 489 Ca -0.03 -4.53 0.00 0.00 -1.81 0.00 0.00 57.70 51.33 3iw4 n MET 489 Cb 0.57 -2.49 0.00 0.00 -0.71 0.00 0.00 33.22 30.59 3iw4 n MET 489 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 3iw4 n MET 490 N 1.79 2.12 -1.68 0.03 2.81 -1.26 -4.35 117.12 116.58 3iw4 n MET 490 Ca 0.25 0.00 -0.48 0.00 -1.81 0.00 0.00 57.70 55.66 3iw4 n MET 490 Cb 0.36 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.82 3iw4 n MET 490 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3iw4 n ASP 491 N -0.77 3.50 0.00 7.83 2.03 -1.26 -1.91 116.55 125.97 3iw4 n ASP 491 Ca 0.00 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.27 3iw4 n ASP 491 Cb 0.00 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.02 3iw4 n ASP 491 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iw4 n GLY 492 N 4.45 1.33 3.80 0.27 0.00 -1.26 -5.00 105.19 108.77 3iw4 n GLY 492 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3iw4 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iw4 s VAL 493 N -2.73 4.06 0.06 1.61 1.01 -0.80 -5.06 120.40 118.55 3iw4 s VAL 493 Ca 0.00 1.43 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 3iw4 s VAL 493 Cb 0.00 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.76 3iw4 s VAL 493 CO 0.00 -0.14 0.49 0.42 0.00 0.00 0.00 175.10 175.87 3iw4 s THR 494 N -1.90 0.04 0.35 3.92 -4.23 -1.26 -4.62 115.64 107.93 3iw4 s THR 494 Ca 0.60 -0.32 0.04 0.00 -1.18 0.00 0.00 61.69 60.84 3iw4 s THR 494 Cb -0.16 -0.99 -0.07 0.00 1.34 0.00 0.00 72.50 72.63 3iw4 s THR 494 CO 0.20 -0.17 0.05 0.28 -0.54 0.00 0.00 174.62 174.43 3iw4 s THR 495 N -2.64 1.36 -0.10 3.99 -1.32 -0.89 -4.87 115.64 111.17 3iw4 s THR 495 Ca -0.04 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 58.59 3iw4 s THR 495 Cb -0.00 -2.82 0.23 0.00 -1.51 0.00 0.00 72.50 68.39 3iw4 s THR 495 CO -0.03 0.00 1.12 0.54 -2.21 0.00 0.00 174.62 174.03 3iw4 n ARG 496 N -0.77 1.04 -2.22 7.08 1.74 -1.26 -1.83 116.66 120.43 3iw4 n ARG 496 Ca -0.03 -2.25 -0.43 0.00 -0.77 0.00 0.00 57.85 54.37 3iw4 n ARG 496 Cb 0.67 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.79 3iw4 n ARG 496 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3iw4 s GLU 497 N -2.29 4.07 0.06 5.56 2.12 -1.26 -4.90 118.70 122.06 3iw4 s GLU 497 Ca 0.25 1.76 -0.31 0.00 0.36 0.00 0.00 54.97 57.04 3iw4 s GLU 497 Cb 0.22 -3.91 -0.07 0.00 0.26 0.00 0.00 34.13 30.63 3iw4 s GLU 497 CO 0.02 -0.95 1.49 0.12 -0.54 0.00 0.00 175.26 175.41 3iw4 s PHE 498 N 4.19 2.81 -0.15 5.30 5.36 -1.26 -5.01 117.98 129.23 3iw4 s PHE 498 Ca 0.64 0.67 -0.34 0.00 -0.96 0.00 0.00 56.93 56.94 3iw4 s PHE 498 Cb -0.25 -3.78 0.14 0.00 -0.34 0.00 0.00 43.02 38.79 3iw4 s PHE 498 CO 0.24 -2.96 1.33 0.00 -1.46 0.00 0.00 175.22 172.37 3iw4 n GLY 500 N -0.27 2.80 3.67 0.00 0.00 -1.26 -4.92 105.19 105.21 3iw4 n GLY 500 Ca -0.03 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 3iw4 n GLY 500 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iw4 s THR 501 N -2.47 4.05 0.34 2.61 2.01 -1.26 -4.90 115.64 116.01 3iw4 s THR 501 Ca 0.00 1.35 0.13 0.00 0.31 0.00 0.00 61.69 63.48 3iw4 s THR 501 Cb 0.00 -3.87 0.33 0.00 0.01 0.00 0.00 72.50 68.97 3iw4 s THR 501 CO 0.00 -0.06 1.64 -0.65 -0.69 0.00 0.00 174.62 174.87 3iw4 h PRO 502 N 8.05 0.24 0.00 4.92 0.11 -1.97 0.59 132.00 143.94 3iw4 h PRO 502 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3iw4 h PRO 502 Cb 1.15 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3iw4 h PRO 502 CO 0.93 0.16 0.00 -0.44 -0.21 0.00 0.00 178.00 178.43 3iw4 h ASP 503 N 0.25 0.00 -0.00 -2.05 5.19 -1.97 -2.77 116.42 115.06 3iw4 h ASP 503 Ca 0.72 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.13 3iw4 h ASP 503 Cb 1.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.18 3iw4 h ASP 503 CO -0.65 0.00 -0.87 -1.22 -3.12 0.00 0.00 179.24 173.38 3iw4 n TYR 504 N -2.99 0.00 -2.07 4.55 4.02 0.20 -4.94 117.16 115.93 3iw4 n TYR 504 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 3iw4 n TYR 504 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.48 3iw4 n TYR 504 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3iw4 s ILE 505 N -2.87 3.57 0.75 -0.72 1.01 -1.05 -4.13 121.20 117.77 3iw4 s ILE 505 Ca 0.11 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 61.45 3iw4 s ILE 505 Cb 0.17 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 39.16 3iw4 s ILE 505 CO 0.79 -0.04 1.14 0.00 0.00 0.00 0.00 174.94 176.83 3iw4 s ALA 506 N 3.37 2.14 0.35 9.38 0.00 -1.26 -4.92 121.76 130.82 3iw4 s ALA 506 Ca 0.70 0.57 0.06 0.00 0.00 0.00 0.00 51.96 53.29 3iw4 s ALA 506 Cb -0.33 -3.37 0.73 0.00 0.00 0.00 0.00 23.12 20.15 3iw4 s ALA 506 CO 0.28 -1.84 1.93 -1.35 0.00 0.00 0.00 175.76 174.78 3iw4 h PRO 507 N -0.71 0.76 -0.76 0.00 0.11 -1.86 -2.92 132.00 126.62 3iw4 h PRO 507 Ca -0.45 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3iw4 h PRO 507 Cb 1.26 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3iw4 h PRO 507 CO 0.50 0.50 0.25 1.05 -0.21 0.00 0.00 178.00 180.09 3iw4 h GLU 508 N 0.78 1.18 0.14 1.05 9.09 -1.90 -0.59 114.58 124.33 3iw4 h GLU 508 Ca 0.36 -0.25 0.01 0.00 0.05 0.00 0.00 59.36 59.54 3iw4 h GLU 508 Cb 0.38 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 27.29 3iw4 h GLU 508 CO -0.14 0.99 -0.18 0.82 0.05 0.00 0.00 179.01 180.55 3iw4 h ILE 509 N 1.13 0.60 -0.98 -1.06 2.04 -1.74 -0.06 117.51 117.44 3iw4 h ILE 509 Ca 0.25 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.24 3iw4 h ILE 509 Cb 0.29 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 3iw4 h ILE 509 CO -0.01 0.00 0.61 0.40 0.00 0.00 0.00 178.15 179.14 3iw4 h ILE 510 N -0.37 0.87 -0.07 -0.67 2.04 -1.35 0.16 117.51 118.13 3iw4 h ILE 510 Ca 0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3iw4 h ILE 510 Cb 0.37 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3iw4 h ILE 510 CO -0.07 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.24 3iw4 n ALA 511 N -2.35 2.57 -3.40 1.87 0.00 -0.28 -4.89 120.51 114.04 3iw4 n ALA 511 Ca 0.19 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.09 3iw4 n ALA 511 Cb 0.39 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3iw4 n ALA 511 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iw4 n TYR 512 N -0.25 -1.67 -2.60 0.00 4.01 0.58 -4.94 117.16 112.29 3iw4 n TYR 512 Ca 0.16 0.39 -0.40 0.00 -0.16 0.00 0.00 57.90 57.88 3iw4 n TYR 512 Cb 0.20 -2.18 -0.05 0.00 -0.31 0.00 0.00 39.34 37.00 3iw4 n TYR 512 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3iw4 s GLN 513 N -6.02 4.71 0.35 -0.72 -1.52 -0.16 -4.98 119.66 111.32 3iw4 s GLN 513 Ca 0.39 1.65 -0.28 0.00 -1.95 0.00 0.00 55.36 55.17 3iw4 s GLN 513 Cb -0.22 -3.26 -0.12 0.00 -0.22 0.00 0.00 33.01 29.20 3iw4 s GLN 513 CO 0.48 0.28 1.40 -2.30 -0.25 0.00 0.00 175.29 174.90 3iw4 n PRO 514 N 1.70 2.39 -4.10 2.91 -0.02 -1.26 -4.48 135.00 132.13 3iw4 n PRO 514 Ca -0.00 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.22 3iw4 n PRO 514 Cb 0.46 -2.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 3iw4 n PRO 514 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3iw4 s TYR 515 N -0.98 0.72 0.00 6.00 -0.85 -0.76 -4.94 117.35 116.54 3iw4 s TYR 515 Ca 0.56 -1.11 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 3iw4 s TYR 515 Cb -0.53 -0.38 0.00 0.00 0.38 0.00 0.00 41.96 41.43 3iw4 s TYR 515 CO 0.61 -0.54 0.00 0.41 -1.52 0.00 0.00 175.55 174.51 3iw4 n GLY 516 N -0.09 5.10 0.00 5.49 0.00 -1.26 -2.09 105.19 112.34 3iw4 n GLY 516 Ca -0.07 -1.00 0.02 0.00 0.00 0.00 0.00 46.02 44.97 3iw4 n GLY 516 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3iw4 n LYS 517 N 0.00 0.00 -0.04 1.61 2.85 -1.26 -3.03 118.16 118.29 3iw4 n LYS 517 Ca 0.00 0.41 0.16 0.00 -1.05 0.00 0.00 58.31 57.83 3iw4 n LYS 517 Cb 0.00 -1.50 0.59 0.00 -0.65 0.00 0.00 35.03 33.47 3iw4 n LYS 517 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3iw4 h SER 518 N 0.00 0.20 0.17 -5.58 4.64 -1.94 -1.82 113.55 109.21 3iw4 h SER 518 Ca 0.00 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3iw4 h SER 518 Cb 0.08 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3iw4 h SER 518 CO 0.00 0.11 -0.25 -0.37 -0.87 0.00 0.00 176.83 175.46 3iw4 h VAL 519 N 0.22 1.22 0.00 0.95 -1.51 -1.95 -2.52 116.25 112.65 3iw4 h VAL 519 Ca 0.27 -1.02 -0.10 0.00 -1.23 0.00 0.00 66.70 64.61 3iw4 h VAL 519 Cb 0.76 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 31.34 3iw4 h VAL 519 CO -0.05 0.30 -0.50 0.44 -1.23 0.00 0.00 177.57 176.54 3iw4 h ASP 520 N 0.14 0.00 0.65 4.19 3.32 -1.59 -2.18 116.42 120.95 3iw4 h ASP 520 Ca 0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 3iw4 h ASP 520 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 3iw4 h ASP 520 CO 0.04 0.50 -1.28 -0.50 -1.72 0.00 0.00 179.24 176.27 3iw4 h TRP 521 N 0.00 0.38 0.08 4.55 -0.00 -1.53 -0.79 115.95 118.63 3iw4 h TRP 521 Ca -0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 58.89 58.61 3iw4 h TRP 521 Cb 0.96 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 3iw4 h TRP 521 CO 0.00 1.24 -0.06 2.35 -0.00 0.00 0.00 178.44 181.97 3iw4 h TRP 522 N 0.06 -0.16 -0.33 0.49 2.91 -1.35 -0.28 115.95 117.29 3iw4 h TRP 522 Ca -0.14 -0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.81 3iw4 h TRP 522 Cb 1.95 0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 30.64 3iw4 h TRP 522 CO 0.05 -0.10 -0.10 0.00 -1.03 0.00 0.00 178.44 177.26 3iw4 h ALA 523 N 0.76 1.22 -0.51 2.65 0.00 -1.37 -0.26 119.26 121.76 3iw4 h ALA 523 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3iw4 h ALA 523 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iw4 h ALA 523 CO -0.01 0.51 0.26 -0.92 0.00 0.00 0.00 179.25 179.09 3iw4 h TYR 524 N 0.51 0.72 -0.45 0.00 3.20 -0.88 -0.95 116.97 119.12 3iw4 h TYR 524 Ca 0.10 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.00 3iw4 h TYR 524 Cb 0.48 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 3iw4 h TYR 524 CO 0.02 0.55 0.13 0.78 -1.64 0.00 0.00 178.16 178.00 3iw4 h GLY 525 N 0.68 0.57 1.67 1.82 0.00 0.64 -0.45 103.07 107.99 3iw4 h GLY 525 Ca 0.18 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 3iw4 h GLY 525 CO -0.03 -0.01 -0.10 -2.08 0.00 0.00 0.00 176.54 174.33 3iw4 h VAL 526 N 0.29 1.20 0.03 4.60 2.07 -0.46 0.41 116.25 124.39 3iw4 h VAL 526 Ca 0.21 -0.88 -0.23 0.00 0.82 0.00 0.00 66.70 66.62 3iw4 h VAL 526 Cb 0.23 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3iw4 h VAL 526 CO -0.24 0.29 -0.99 0.25 0.02 0.00 0.00 177.57 176.90 3iw4 h LEU 527 N 0.38 0.37 -0.24 2.57 6.46 -0.88 -0.61 115.31 123.36 3iw4 h LEU 527 Ca 0.08 -0.33 -0.04 0.00 -0.12 0.00 0.00 57.88 57.47 3iw4 h LEU 527 Cb 0.41 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3iw4 h LEU 527 CO 0.02 1.16 -0.00 0.25 -0.62 0.00 0.00 178.44 179.25 3iw4 h LEU 528 N 0.13 0.43 -0.05 2.25 6.46 -0.56 0.54 115.31 124.51 3iw4 h LEU 528 Ca -0.08 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 57.40 3iw4 h LEU 528 Cb 1.65 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 41.44 3iw4 h LEU 528 CO 0.16 0.63 -0.12 0.22 -0.62 0.00 0.00 178.44 178.72 3iw4 h TYR 529 N 0.21 -0.30 -0.97 1.25 5.03 -0.10 -1.61 116.97 120.48 3iw4 h TYR 529 Ca 0.07 0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.47 3iw4 h TYR 529 Cb 0.42 0.14 -0.07 0.00 1.55 0.00 0.00 36.73 38.77 3iw4 h TYR 529 CO 0.04 -0.18 0.62 0.93 -1.32 0.00 0.00 178.16 178.25 3iw4 h GLU 530 N -0.18 1.06 -0.92 1.82 5.08 -0.80 0.12 114.58 120.77 3iw4 h GLU 530 Ca 0.06 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3iw4 h GLU 530 Cb 0.26 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3iw4 h GLU 530 CO -0.15 0.70 0.57 0.52 -1.00 0.00 0.00 179.01 179.65 3iw4 h MET 531 N 1.09 1.24 0.19 2.33 2.86 -0.35 -0.14 114.93 122.15 3iw4 h MET 531 Ca 0.43 -0.10 -0.32 0.00 -2.06 0.00 0.00 59.70 57.64 3iw4 h MET 531 Cb 0.23 -0.26 0.02 0.00 0.06 0.00 0.00 31.60 31.65 3iw4 h MET 531 CO -0.18 0.85 -1.50 -0.07 1.06 0.00 0.00 176.91 177.08 3iw4 h LEU 532 N 1.26 0.64 0.00 1.22 3.38 -0.28 -2.00 115.31 119.52 3iw4 h LEU 532 Ca 0.33 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3iw4 h LEU 532 Cb -0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3iw4 h LEU 532 CO -0.06 1.61 -1.75 0.00 0.09 0.00 0.00 178.44 178.33 3iw4 n ALA 533 N -2.70 2.91 -0.99 1.53 0.00 0.30 -4.70 120.51 116.86 3iw4 n ALA 533 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3iw4 n ALA 533 Cb 1.07 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3iw4 n ALA 533 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iw4 n GLY 534 N 1.42 0.95 3.39 0.00 0.00 -0.07 -4.92 105.19 105.95 3iw4 n GLY 534 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 3iw4 n GLY 534 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iw4 s GLN 535 N -0.02 1.45 0.64 1.61 -1.52 -1.26 -5.00 119.66 115.56 3iw4 s GLN 535 Ca 0.00 -1.73 -0.12 0.00 -1.95 0.00 0.00 55.36 51.57 3iw4 s GLN 535 Cb 0.00 -0.96 -0.02 0.00 -0.22 0.00 0.00 33.01 31.80 3iw4 s GLN 535 CO 0.00 0.01 1.04 -2.14 -0.25 0.00 0.00 175.29 173.95 3iw4 s PRO 536 N -3.77 3.33 0.54 2.91 0.02 -1.26 -3.71 135.00 133.07 3iw4 s PRO 536 Ca 0.28 0.87 0.32 0.00 0.02 0.00 0.00 61.00 62.50 3iw4 s PRO 536 Cb 0.04 -2.04 1.29 0.00 0.02 0.00 0.00 34.50 33.81 3iw4 s PRO 536 CO 0.10 -0.78 1.96 -1.35 -0.33 0.00 0.00 177.00 176.60 3iw4 h PRO 537 N -0.36 0.00 -4.08 5.54 0.11 -1.93 -3.46 132.00 127.82 3iw4 h PRO 537 Ca -0.44 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.29 3iw4 h PRO 537 Cb 1.20 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.98 3iw4 h PRO 537 CO 0.60 0.03 -0.77 -0.06 -0.21 0.00 0.00 178.00 177.59 3iw4 s PHE 538 N -3.67 0.63 0.08 0.65 0.08 -1.26 -4.77 117.98 109.72 3iw4 s PHE 538 Ca 0.01 -0.15 -0.07 0.00 0.12 0.00 0.00 56.93 56.85 3iw4 s PHE 538 Cb 0.09 -0.54 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 3iw4 s PHE 538 CO 0.56 -0.13 0.34 -0.51 -0.10 0.00 0.00 175.22 175.38 3iw4 s ASP 539 N 0.64 6.54 -0.30 1.36 1.01 -1.26 -5.04 116.67 119.62 3iw4 s ASP 539 Ca -0.08 0.64 -0.17 0.00 0.71 0.00 0.00 52.55 53.65 3iw4 s ASP 539 Cb -0.11 -2.11 0.19 0.00 1.01 0.00 0.00 42.92 41.89 3iw4 s ASP 539 CO -0.00 0.16 1.16 -0.83 0.21 0.00 0.00 175.17 175.87 3iw4 s GLY 540 N -1.98 0.27 0.60 0.21 0.00 -1.26 -4.23 107.32 100.94 3iw4 s GLY 540 Ca 0.34 3.52 0.39 0.00 0.00 0.00 0.00 44.72 48.97 3iw4 s GLY 540 CO 0.20 2.97 2.18 0.83 0.00 0.00 0.00 173.10 179.28 3iw4 h GLU 541 N 6.22 0.00 0.00 2.90 5.08 -1.99 -3.43 114.58 123.37 3iw4 h GLU 541 Ca -0.22 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3iw4 h GLU 541 Cb 1.15 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 3iw4 h GLU 541 CO 0.16 0.00 0.10 -0.40 -1.00 0.00 0.00 179.01 177.86 3iw4 n ASP 542 N -3.05 -1.69 0.03 1.42 5.68 -1.26 -5.05 116.55 112.63 3iw4 n ASP 542 Ca -0.01 -2.50 -0.11 0.00 -0.50 0.00 0.00 54.79 51.67 3iw4 n ASP 542 Cb 0.17 2.91 -0.05 0.00 -1.14 0.00 0.00 41.12 43.02 3iw4 n ASP 542 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3iw4 h GLU 543 N 0.00 -0.12 -0.65 0.11 4.81 -1.99 -0.12 114.58 116.61 3iw4 h GLU 543 Ca -0.27 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3iw4 h GLU 543 Cb 1.07 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3iw4 h GLU 543 CO 0.35 -0.08 0.37 -0.44 -0.73 0.00 0.00 179.01 178.48 3iw4 h ASP 544 N -0.13 0.79 -0.22 1.04 3.45 -1.98 0.55 116.42 119.93 3iw4 h ASP 544 Ca 0.05 -0.05 -0.17 0.00 0.43 0.00 0.00 57.03 57.28 3iw4 h ASP 544 Cb 0.19 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.76 3iw4 h ASP 544 CO -0.11 0.62 -0.50 -0.08 -1.57 0.00 0.00 179.24 177.60 3iw4 h GLU 545 N 0.90 0.80 -0.21 3.56 4.81 -1.90 -0.02 114.58 122.51 3iw4 h GLU 545 Ca 0.23 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3iw4 h GLU 545 Cb -0.00 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3iw4 h GLU 545 CO -0.04 1.11 0.11 1.25 -0.73 0.00 0.00 179.01 180.71 3iw4 h LEU 546 N 0.62 0.27 0.41 1.64 5.85 -0.24 -1.83 115.31 122.03 3iw4 h LEU 546 Ca 0.03 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3iw4 h LEU 546 Cb 1.08 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3iw4 h LEU 546 CO 0.11 0.28 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.04 3iw4 h PHE 547 N 0.23 -0.51 -1.08 1.25 0.04 -0.83 -0.68 116.94 115.37 3iw4 h PHE 547 Ca 0.07 -0.01 0.39 0.00 2.80 0.00 0.00 57.97 61.23 3iw4 h PHE 547 Cb 0.08 0.17 -0.16 0.00 2.20 0.00 0.00 35.95 38.24 3iw4 h PHE 547 CO -0.03 -0.29 0.63 0.37 -0.60 0.00 0.00 178.31 178.39 3iw4 h GLN 548 N -0.60 0.12 -0.01 1.51 4.15 -0.98 0.88 115.11 120.18 3iw4 h GLN 548 Ca -0.06 -0.01 -0.20 0.00 0.77 0.00 0.00 58.65 59.16 3iw4 h GLN 548 Cb 0.45 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3iw4 h GLN 548 CO 0.09 0.08 -0.86 1.03 -1.93 0.00 0.00 178.83 177.24 3iw4 h SER 549 N 0.12 0.32 0.60 -0.69 0.87 -0.36 -2.61 113.55 111.81 3iw4 h SER 549 Ca 0.81 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 61.01 3iw4 h SER 549 Cb 2.15 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 3iw4 h SER 549 CO -0.63 1.04 -0.53 0.40 -0.53 0.00 0.00 176.83 176.58 3iw4 h ILE 550 N 0.14 1.31 0.00 2.23 2.04 0.21 -0.43 117.51 123.02 3iw4 h ILE 550 Ca -0.05 -1.85 -0.13 0.00 1.00 0.00 0.00 64.86 63.83 3iw4 h ILE 550 Cb 1.48 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 3iw4 h ILE 550 CO 0.14 0.52 -1.14 -0.03 0.00 0.00 0.00 178.15 177.64 3iw4 h MET 551 N 0.00 0.00 0.00 2.37 4.05 -1.10 -3.42 114.93 116.83 3iw4 h MET 551 Ca -0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3iw4 h MET 551 Cb 0.97 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.77 3iw4 h MET 551 CO 0.07 0.30 -0.53 0.39 0.23 0.00 0.00 176.91 177.37 3iw4 n GLU 552 N -2.94 2.06 -3.00 0.39 1.02 -0.99 -5.06 120.64 112.13 3iw4 n GLU 552 Ca -0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.69 3iw4 n GLU 552 Cb 0.78 -0.76 -0.06 0.00 -0.02 0.00 0.00 31.44 31.37 3iw4 n GLU 552 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3iw4 s HIS 553 N -1.53 3.90 -0.25 -0.32 2.46 -0.17 -5.05 115.29 114.34 3iw4 s HIS 553 Ca 0.00 1.62 -0.19 0.00 0.47 0.00 0.00 55.06 56.96 3iw4 s HIS 553 Cb 0.00 -2.75 -0.03 0.00 -0.13 0.00 0.00 32.58 29.67 3iw4 s HIS 553 CO 0.00 0.52 0.55 -0.80 -2.47 0.00 0.00 174.74 172.54 3iw4 s ASN 554 N -1.14 6.50 0.28 9.88 -0.87 -1.26 -4.83 114.94 123.50 3iw4 s ASN 554 Ca 0.35 0.60 -0.28 0.00 -1.57 0.00 0.00 52.86 51.96 3iw4 s ASN 554 Cb -0.23 -2.30 -0.14 0.00 -0.02 0.00 0.00 41.25 38.56 3iw4 s ASN 554 CO 0.26 -0.29 1.03 0.52 -2.57 0.00 0.00 177.10 176.05 3iw4 n VAL 555 N 5.06 1.90 -3.67 1.60 0.31 -1.26 -4.94 118.33 117.34 3iw4 n VAL 555 Ca -0.03 -0.48 -0.39 0.00 -0.01 0.00 0.00 64.34 63.44 3iw4 n VAL 555 Cb 0.50 -1.01 -0.11 0.00 -0.91 0.00 0.00 33.84 32.31 3iw4 n VAL 555 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3iw4 s SER 556 N -0.50 5.48 -0.12 4.52 0.15 -1.26 -5.08 113.70 116.88 3iw4 s SER 556 Ca 0.60 -1.60 -0.23 0.00 0.70 0.00 0.00 55.95 55.42 3iw4 s SER 556 Cb -0.71 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 61.65 3iw4 s SER 556 CO 0.59 -0.51 0.69 -0.31 1.20 0.00 0.00 173.24 174.90 3iw4 s TYR 557 N 1.34 3.49 0.31 3.44 1.51 -1.26 -5.02 117.35 121.17 3iw4 s TYR 557 Ca 0.03 1.15 -0.26 0.00 -1.01 0.00 0.00 57.07 56.98 3iw4 s TYR 557 Cb -0.23 -2.83 -0.14 0.00 -0.11 0.00 0.00 41.96 38.66 3iw4 s TYR 557 CO 0.00 -0.03 0.78 -2.30 -1.11 0.00 0.00 175.55 172.89 3iw4 n PRO 558 N 4.36 0.86 -0.28 -1.71 -0.02 -1.26 -4.89 135.00 132.07 3iw4 n PRO 558 Ca -0.01 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 3iw4 n PRO 558 Cb 0.50 -1.59 0.18 0.00 -0.02 0.00 0.00 33.50 32.58 3iw4 n PRO 558 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3iw4 h LYS 559 N 1.43 0.62 -0.01 -0.52 2.10 -2.04 -2.73 116.57 115.43 3iw4 h LYS 559 Ca -0.38 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3iw4 h LYS 559 Cb 1.38 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3iw4 h LYS 559 CO 0.57 0.41 0.00 -1.13 -2.00 0.00 0.00 179.45 177.30 3iw4 n SER 560 N -4.85 0.01 -4.61 7.07 3.41 -1.26 -4.75 113.62 108.64 3iw4 n SER 560 Ca 0.14 -1.24 -0.40 0.00 -0.26 0.00 0.00 58.87 57.11 3iw4 n SER 560 Cb 0.35 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 3iw4 n SER 560 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iw4 s LEU 561 N -0.98 4.05 0.43 1.04 1.02 -1.03 -5.05 118.68 118.16 3iw4 s LEU 561 Ca 0.00 0.43 -0.23 0.00 0.02 0.00 0.00 54.13 54.36 3iw4 s LEU 561 Cb 0.00 -2.57 -0.12 0.00 0.02 0.00 0.00 46.19 43.53 3iw4 s LEU 561 CO 0.00 -0.24 0.71 -1.54 0.02 0.00 0.00 176.35 175.29 3iw4 n SER 562 N 5.43 -0.17 -0.31 2.29 3.41 -1.26 -4.71 113.62 118.30 3iw4 n SER 562 Ca -0.06 0.94 0.08 0.00 -0.26 0.00 0.00 58.87 59.57 3iw4 n SER 562 Cb 0.50 -1.20 0.17 0.00 -0.26 0.00 0.00 64.21 63.42 3iw4 n SER 562 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3iw4 n LYS 563 N 0.38 -0.08 -0.02 4.33 4.81 -1.26 -1.04 118.16 125.28 3iw4 n LYS 563 Ca 0.11 1.36 -0.08 0.00 -0.87 0.00 0.00 58.31 58.83 3iw4 n LYS 563 Cb 0.40 -2.08 0.09 0.00 0.02 0.00 0.00 35.03 33.46 3iw4 n LYS 563 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3iw4 h GLU 564 N 0.00 0.61 -0.40 1.64 3.07 -1.95 -1.91 114.58 115.65 3iw4 h GLU 564 Ca 0.46 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 59.03 3iw4 h GLU 564 Cb 0.80 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.69 3iw4 h GLU 564 CO -0.88 0.90 0.23 0.00 -1.40 0.00 0.00 179.01 177.86 3iw4 h ALA 565 N 1.06 0.50 0.00 3.43 0.00 -1.42 -2.02 119.26 120.82 3iw4 h ALA 565 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3iw4 h ALA 565 Cb 0.90 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3iw4 h ALA 565 CO 0.08 -0.10 -0.36 0.28 0.00 0.00 0.00 179.25 179.15 3iw4 h VAL 566 N 0.48 0.88 0.11 0.00 2.07 -1.12 -2.39 116.25 116.29 3iw4 h VAL 566 Ca 0.16 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3iw4 h VAL 566 Cb 0.00 1.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3iw4 h VAL 566 CO -0.07 0.35 -0.05 -1.28 0.02 0.00 0.00 177.57 176.54 3iw4 h SER 567 N 0.00 -0.13 -0.03 0.57 0.87 -0.91 -2.21 113.55 111.70 3iw4 h SER 567 Ca -0.00 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 3iw4 h SER 567 Cb 0.85 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 3iw4 h SER 567 CO 0.05 0.46 -0.08 -0.29 -0.53 0.00 0.00 176.83 176.44 3iw4 h ILE 568 N -0.82 1.16 -0.20 2.23 2.10 -1.34 0.38 117.51 121.02 3iw4 h ILE 568 Ca -0.02 -0.69 -0.01 0.00 1.08 0.00 0.00 64.86 65.23 3iw4 h ILE 568 Cb 0.56 1.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.40 3iw4 h ILE 568 CO 0.03 0.22 0.08 0.00 -1.08 0.00 0.00 178.15 177.40 3iw4 h LYS 570 N 0.17 0.60 -0.05 0.00 1.57 -0.66 0.29 116.57 118.49 3iw4 h LYS 570 Ca 0.07 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3iw4 h LYS 570 Cb 0.16 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3iw4 h LYS 570 CO -0.01 0.71 -0.05 0.78 -0.57 0.00 0.00 179.45 180.31 3iw4 h GLY 571 N 0.96 -0.01 1.48 3.86 0.00 0.19 -2.85 103.07 106.70 3iw4 h GLY 571 Ca 0.10 0.06 -0.30 0.00 0.00 0.00 0.00 47.33 47.19 3iw4 h GLY 571 CO 0.03 -0.06 -1.34 1.41 0.00 0.00 0.00 176.54 176.58 3iw4 h LEU 572 N -0.07 0.59 -4.88 3.11 3.38 0.26 0.23 115.31 117.93 3iw4 h LEU 572 Ca 0.04 -0.64 -0.72 0.00 0.09 0.00 0.00 57.88 56.65 3iw4 h LEU 572 Cb 0.12 -0.19 -0.25 0.00 0.09 0.00 0.00 40.66 40.43 3iw4 h LEU 572 CO -0.09 1.50 0.95 0.23 0.09 0.00 0.00 178.44 181.11 3iw4 n MET 573 N -3.60 2.68 -2.81 1.13 2.81 0.98 -4.07 117.12 114.25 3iw4 n MET 573 Ca -0.12 -3.30 -0.41 0.00 -1.81 0.00 0.00 57.70 52.05 3iw4 n MET 573 Cb 1.06 -2.25 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 3iw4 n MET 573 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3iw4 s THR 574 N -4.58 4.90 0.16 2.03 2.01 -1.08 -4.89 115.64 114.19 3iw4 s THR 574 Ca 0.53 1.86 -0.15 0.00 0.31 0.00 0.00 61.69 64.24 3iw4 s THR 574 Cb 0.43 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.75 3iw4 s THR 574 CO -0.37 0.14 1.78 0.11 -0.69 0.00 0.00 174.62 175.59 3iw4 h LYS 575 N 6.90 0.65 -5.92 4.92 1.57 -1.90 -3.40 116.57 119.39 3iw4 h LYS 575 Ca -0.38 -0.07 -0.58 0.00 -1.87 0.00 0.00 60.65 57.75 3iw4 h LYS 575 Cb 1.19 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 3iw4 h LYS 575 CO 0.78 0.49 0.45 -1.01 -0.57 0.00 0.00 179.45 179.60 3iw4 s HIS 576 N -5.92 3.38 0.37 -1.35 3.76 -1.26 -4.70 115.29 109.57 3iw4 s HIS 576 Ca -0.13 1.25 0.26 0.00 -0.15 0.00 0.00 55.06 56.29 3iw4 s HIS 576 Cb 0.11 -3.05 1.34 0.00 1.11 0.00 0.00 32.58 32.09 3iw4 s HIS 576 CO 0.75 -0.31 2.02 -1.35 -0.85 0.00 0.00 174.74 175.00 3iw4 h PRO 577 N 7.44 0.00 -0.91 8.40 0.11 -1.97 -2.38 132.00 142.69 3iw4 h PRO 577 Ca -0.27 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.87 3iw4 h PRO 577 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3iw4 h PRO 577 CO 0.86 0.15 0.60 0.00 -0.21 0.00 0.00 178.00 179.39 3iw4 h ALA 578 N 1.85 1.41 0.00 -0.75 0.00 -1.90 -2.48 119.26 117.40 3iw4 h ALA 578 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iw4 h ALA 578 Cb 0.41 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iw4 h ALA 578 CO 0.02 0.50 -1.05 1.63 0.00 0.00 0.00 179.25 180.36 3iw4 n LYS 579 N -4.43 0.26 -1.67 0.00 5.02 -0.95 -4.71 118.16 111.67 3iw4 n LYS 579 Ca 0.12 -0.01 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 3iw4 n LYS 579 Cb 0.09 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 3iw4 n LYS 579 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3iw4 n ARG 580 N -1.89 1.87 -1.73 1.97 0.63 -0.94 -4.88 116.66 111.69 3iw4 n ARG 580 Ca 0.02 0.66 -0.42 0.00 -0.92 0.00 0.00 57.85 57.19 3iw4 n ARG 580 Cb 0.42 -2.20 -0.02 0.00 0.45 0.00 0.00 32.46 31.12 3iw4 n ARG 580 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3iw4 n LEU 581 N 0.80 4.18 0.00 6.15 7.94 0.07 -1.50 117.00 134.64 3iw4 n LEU 581 Ca 0.06 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 3iw4 n LEU 581 Cb 0.36 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.74 3iw4 n LEU 581 CO 0.61 0.04 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 3iw4 n GLY 582 N 2.04 1.53 1.05 -3.96 0.00 -1.25 -4.76 105.19 99.84 3iw4 n GLY 582 Ca 0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 3iw4 n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw4 n GLY 584 N -0.68 0.14 0.21 0.00 0.00 -1.26 -4.80 105.19 98.80 3iw4 n GLY 584 Ca 0.27 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 3iw4 n GLY 584 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3iw4 h PRO 585 N 0.00 0.65 -1.05 1.61 0.11 -1.95 -2.68 132.00 128.68 3iw4 h PRO 585 Ca -0.21 -0.12 -0.60 0.00 0.11 0.00 0.00 66.00 65.18 3iw4 h PRO 585 Cb 0.70 -0.11 -0.27 0.00 0.11 0.00 0.00 31.00 31.43 3iw4 h PRO 585 CO 0.20 0.60 0.78 0.39 -0.21 0.00 0.00 178.00 179.75 3iw4 n GLU 586 N -4.61 2.49 -0.39 1.05 -0.58 -1.26 -4.86 120.64 112.48 3iw4 n GLU 586 Ca 0.01 -3.02 -0.04 0.00 -0.42 0.00 0.00 57.16 53.69 3iw4 n GLU 586 Cb 0.15 -2.18 -0.00 0.00 -0.57 0.00 0.00 31.44 28.83 3iw4 n GLU 586 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iw4 n GLY 587 N -0.82 -2.20 0.50 0.62 0.00 -1.01 -1.51 105.19 100.78 3iw4 n GLY 587 Ca 0.58 1.12 -0.19 0.00 0.00 0.00 0.00 46.02 47.54 3iw4 n GLY 587 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iw4 h GLU 588 N 0.00 -1.09 -0.96 1.61 4.81 -1.89 -1.94 114.58 115.12 3iw4 h GLU 588 Ca 0.28 0.07 0.27 0.00 -0.13 0.00 0.00 59.36 59.86 3iw4 h GLU 588 Cb 0.53 0.25 -0.14 0.00 0.63 0.00 0.00 28.75 30.02 3iw4 h GLU 588 CO -0.96 -0.72 0.48 -0.09 -0.73 0.00 0.00 179.01 176.98 3iw4 h ARG 589 N -1.13 0.37 -0.78 1.92 2.43 -1.88 0.19 114.38 115.50 3iw4 h ARG 589 Ca -0.09 -0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.19 3iw4 h ARG 589 Cb 0.92 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.34 3iw4 h ARG 589 CO 0.06 0.24 0.51 -0.44 -1.51 0.00 0.00 179.97 178.83 3iw4 h ASP 590 N 0.38 0.48 0.01 -3.80 3.32 -0.51 -1.27 116.42 115.03 3iw4 h ASP 590 Ca 0.65 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.72 3iw4 h ASP 590 Cb 1.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3iw4 h ASP 590 CO -0.57 0.26 -0.01 0.58 -1.72 0.00 0.00 179.24 177.78 3iw4 h VAL 591 N 0.52 1.34 -1.06 -1.35 2.07 -0.22 -3.16 116.25 114.39 3iw4 h VAL 591 Ca 0.38 -1.93 0.31 0.00 0.82 0.00 0.00 66.70 66.28 3iw4 h VAL 591 Cb 0.75 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.97 3iw4 h VAL 591 CO -0.14 0.44 0.83 0.03 0.02 0.00 0.00 177.57 178.75 3iw4 h ARG 592 N -0.97 0.00 -0.01 1.57 3.08 -0.93 -1.32 114.38 115.80 3iw4 h ARG 592 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iw4 h ARG 592 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3iw4 h ARG 592 CO 0.00 0.00 -0.54 0.39 -1.07 0.00 0.00 179.97 178.75 3iw4 n GLU 593 N -4.03 1.07 -1.79 0.04 1.02 -0.51 -4.72 120.64 111.72 3iw4 n GLU 593 Ca 0.23 -0.88 -0.41 0.00 -0.02 0.00 0.00 57.16 56.08 3iw4 n GLU 593 Cb 1.18 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 31.12 3iw4 n GLU 593 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3iw4 s HIS 594 N -2.54 2.57 0.57 -0.32 2.46 -0.50 -4.78 115.29 112.75 3iw4 s HIS 594 Ca 0.17 1.16 0.40 0.00 0.47 0.00 0.00 55.06 57.26 3iw4 s HIS 594 Cb 0.18 -4.04 1.49 0.00 -0.13 0.00 0.00 32.58 30.08 3iw4 s HIS 594 CO 0.61 -3.04 1.60 0.00 -2.47 0.00 0.00 174.74 171.44 3iw4 h ALA 595 N 2.99 3.34 -0.18 1.58 0.00 -1.92 0.90 119.26 125.97 3iw4 h ALA 595 Ca -0.51 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.40 3iw4 h ALA 595 Cb 1.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3iw4 h ALA 595 CO 0.64 -1.89 0.14 0.35 0.00 0.00 0.00 179.25 178.49 3iw4 h PHE 596 N 0.00 0.00 -0.71 0.00 3.57 -1.86 -0.89 116.94 117.05 3iw4 h PHE 596 Ca 0.68 0.00 -0.43 0.00 3.53 0.00 0.00 57.97 61.75 3iw4 h PHE 596 Cb 2.97 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 41.47 3iw4 h PHE 596 CO 0.00 0.00 0.18 1.19 -2.23 0.00 0.00 178.31 177.45 3iw4 n PHE 597 N -4.36 2.30 0.00 0.41 3.72 0.31 -4.77 117.46 115.08 3iw4 n PHE 597 Ca 0.01 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 3iw4 n PHE 597 Cb 0.27 -0.80 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3iw4 n PHE 597 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3iw4 n ARG 598 N -1.02 0.00 0.00 -1.08 1.74 -0.34 -2.97 116.66 113.00 3iw4 n ARG 598 Ca 0.48 0.72 0.03 0.00 -0.77 0.00 0.00 57.85 58.31 3iw4 n ARG 598 Cb 1.08 -1.44 0.18 0.00 -1.02 0.00 0.00 32.46 31.25 3iw4 n ARG 598 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3iw4 n ARG 599 N -2.34 0.13 -3.03 5.56 1.74 -1.26 -4.74 116.66 112.72 3iw4 n ARG 599 Ca 0.00 0.16 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 3iw4 n ARG 599 Cb 0.00 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 3iw4 n ARG 599 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3iw4 s ILE 600 N -2.42 4.90 -0.56 0.55 -1.09 -1.16 -5.02 121.20 116.40 3iw4 s ILE 600 Ca 0.07 1.51 -0.17 0.00 -2.23 0.00 0.00 60.65 59.84 3iw4 s ILE 600 Cb 0.05 -4.06 0.12 0.00 -1.58 0.00 0.00 42.46 36.98 3iw4 s ILE 600 CO 0.10 0.32 0.57 -0.62 -1.23 0.00 0.00 174.94 174.07 3iw4 s ASP 601 N 0.33 6.20 0.23 3.58 2.15 -1.26 -4.96 116.67 122.95 3iw4 s ASP 601 Ca 0.38 -1.70 -0.07 0.00 0.43 0.00 0.00 52.55 51.59 3iw4 s ASP 601 Cb -0.19 -2.24 0.29 0.00 -0.30 0.00 0.00 42.92 40.48 3iw4 s ASP 601 CO 0.20 -0.94 1.85 -0.50 -0.17 0.00 0.00 175.17 175.62 3iw4 h TRP 602 N 8.96 0.95 -0.36 -5.34 4.06 -1.95 0.76 115.95 123.03 3iw4 h TRP 602 Ca -0.29 0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.63 3iw4 h TRP 602 Cb 1.09 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.93 3iw4 h TRP 602 CO 0.77 0.50 0.00 1.49 -3.56 0.00 0.00 178.44 177.65 3iw4 h GLU 603 N 0.96 0.63 -0.32 0.49 4.81 -1.98 -0.44 114.58 118.73 3iw4 h GLU 603 Ca 0.35 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3iw4 h GLU 603 Cb 0.12 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3iw4 h GLU 603 CO -0.15 0.74 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.58 3iw4 h LYS 604 N 0.45 0.61 0.07 1.92 3.64 -1.79 -3.06 116.57 118.41 3iw4 h LYS 604 Ca 0.10 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3iw4 h LYS 604 Cb 0.45 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3iw4 h LYS 604 CO 0.02 0.79 -0.27 1.25 -2.27 0.00 0.00 179.45 178.97 3iw4 h LEU 605 N 0.39 -0.80 0.00 5.20 5.85 0.64 -2.26 115.31 124.33 3iw4 h LEU 605 Ca 0.08 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3iw4 h LEU 605 Cb 0.55 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3iw4 h LEU 605 CO 0.03 -0.28 0.00 -1.84 -0.34 0.00 0.00 178.44 176.01 3iw4 n GLU 606 N -3.97 0.31 -0.05 1.25 0.28 -0.19 -0.37 120.64 117.91 3iw4 n GLU 606 Ca -0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.00 3iw4 n GLU 606 Cb 0.21 -1.28 0.07 0.00 1.43 0.00 0.00 31.44 31.87 3iw4 n GLU 606 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3iw4 n ASN 607 N -0.78 2.11 -2.47 -1.84 5.03 -1.06 -4.91 115.26 111.34 3iw4 n ASN 607 Ca 0.04 -1.62 -0.13 0.00 0.87 0.00 0.00 54.58 53.74 3iw4 n ASN 607 Cb 0.02 -0.07 0.05 0.00 -1.02 0.00 0.00 39.78 38.76 3iw4 n ASN 607 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3iw4 n ARG 608 N 0.39 -4.67 -0.03 3.52 1.74 0.51 -4.94 116.66 113.18 3iw4 n ARG 608 Ca 0.06 0.52 0.02 0.00 -0.77 0.00 0.00 57.85 57.69 3iw4 n ARG 608 Cb 0.28 -4.61 0.03 0.00 -1.02 0.00 0.00 32.46 27.14 3iw4 n ARG 608 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3iw4 n GLU 609 N -3.18 0.95 -3.65 5.56 1.02 -0.88 -4.97 120.64 115.50 3iw4 n GLU 609 Ca -0.07 -1.13 -0.36 0.00 -0.02 0.00 0.00 57.16 55.58 3iw4 n GLU 609 Cb 0.56 -1.08 -0.06 0.00 -0.02 0.00 0.00 31.44 30.85 3iw4 n GLU 609 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3iw4 s ILE 610 N -0.60 5.20 -0.28 -3.67 1.01 -1.26 -4.96 121.20 116.65 3iw4 s ILE 610 Ca 0.06 0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.90 3iw4 s ILE 610 Cb 0.04 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.91 3iw4 s ILE 610 CO 0.05 0.48 1.20 -1.58 0.00 0.00 0.00 174.94 175.09 3iw4 s GLN 611 N -1.39 4.04 0.43 2.79 2.00 -1.26 -4.99 119.66 121.28 3iw4 s GLN 611 Ca 0.25 1.25 -0.25 0.00 -2.00 0.00 0.00 55.36 54.60 3iw4 s GLN 611 Cb -0.14 -3.79 -0.09 0.00 0.80 0.00 0.00 33.01 29.78 3iw4 s GLN 611 CO 0.13 -0.95 1.25 -2.30 -0.50 0.00 0.00 175.29 172.92 3iw4 n PRO 612 N 6.99 1.85 -0.18 1.67 -0.02 -1.26 -4.84 135.00 139.22 3iw4 n PRO 612 Ca 0.13 0.66 0.29 0.00 -2.02 0.00 0.00 63.50 62.57 3iw4 n PRO 612 Cb 0.46 -2.36 0.70 0.00 -0.02 0.00 0.00 33.50 32.29 3iw4 n PRO 612 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3iw4 h PRO 613 N 1.98 0.00 -2.45 0.52 0.11 -1.94 -3.42 132.00 126.80 3iw4 h PRO 613 Ca -0.48 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.79 3iw4 h PRO 613 Cb 1.30 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 3iw4 h PRO 613 CO 0.59 0.00 0.48 -0.59 -0.21 0.00 0.00 178.00 178.28 3iw4 s PHE 614 N -4.77 -0.07 -0.14 0.65 -0.12 -1.26 -5.11 117.98 107.15 3iw4 s PHE 614 Ca -0.04 -0.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 3iw4 s PHE 614 Cb 0.19 0.67 -0.00 0.00 -0.63 0.00 0.00 43.02 43.25 3iw4 s PHE 614 CO 0.68 -0.91 -0.16 0.21 -0.05 0.00 0.00 175.22 174.98 3iw4 s LYS 615 N -3.00 3.23 0.36 1.99 2.20 -1.26 -4.10 119.74 119.16 3iw4 s LYS 615 Ca 0.15 -0.75 -0.07 0.00 -0.36 0.00 0.00 55.97 54.93 3iw4 s LYS 615 Cb -0.02 -2.58 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 3iw4 s LYS 615 CO 0.04 0.09 0.67 -1.25 -0.36 0.00 0.00 175.35 174.54 3iw4 s PRO 616 N 0.63 3.68 0.20 4.03 0.05 -1.25 -4.98 135.00 137.36 3iw4 s PRO 616 Ca -0.09 0.21 -0.24 0.00 0.05 0.00 0.00 61.00 60.93 3iw4 s PRO 616 Cb -0.16 -2.51 -0.15 0.00 0.05 0.00 0.00 34.50 31.74 3iw4 s PRO 616 CO 0.03 0.05 0.42 1.17 0.05 0.00 0.00 177.00 178.72 3iw4 n LYS 617 N -1.28 0.00 0.00 4.56 4.81 -1.26 -4.96 118.16 120.03 3iw4 n LYS 617 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3iw4 n LYS 617 Cb 0.54 -0.89 0.00 0.00 0.02 0.00 0.00 35.03 34.70 3iw4 n LYS 617 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3iw4 n VAL 618 N -0.11 0.00 0.00 3.15 0.31 -1.26 -4.91 118.33 115.51 3iw4 n VAL 618 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3iw4 n VAL 618 Cb 0.24 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 3iw4 n VAL 618 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3iw4 n PHE 626 N 0.00 0.00 -3.40 3.52 0.99 -1.26 -5.14 117.46 112.17 3iw4 n PHE 626 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 3iw4 n PHE 626 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 3iw4 n PHE 626 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iw4 s ASP 627 N 0.00 6.91 0.26 4.37 -1.08 -1.26 -5.01 116.67 120.85 3iw4 s ASP 627 Ca 0.00 1.08 0.22 0.00 -0.52 0.00 0.00 52.55 53.32 3iw4 s ASP 627 Cb 0.00 -2.30 0.08 0.00 -1.46 0.00 0.00 42.92 39.25 3iw4 s ASP 627 CO 0.00 0.29 1.20 0.50 0.52 0.00 0.00 175.17 177.68 3iw4 h LYS 628 N 4.75 0.00 -0.05 4.34 1.63 -2.11 -3.33 116.57 121.80 3iw4 h LYS 628 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3iw4 h LYS 628 Cb 1.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3iw4 h LYS 628 CO 0.63 0.06 0.00 1.19 -3.45 0.00 0.00 179.45 177.88 3iw4 n PHE 629 N -2.85 0.05 -3.66 1.91 3.01 -1.26 -4.96 117.46 109.70 3iw4 n PHE 629 Ca 0.00 -0.09 -0.09 0.00 1.01 0.00 0.00 57.45 58.28 3iw4 n PHE 629 Cb 0.59 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.97 3iw4 n PHE 629 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 3iw4 s PHE 630 N -0.65 -0.86 0.03 1.38 5.36 -1.25 -5.16 117.98 116.84 3iw4 s PHE 630 Ca 0.09 1.81 0.04 0.00 -0.96 0.00 0.00 56.93 57.92 3iw4 s PHE 630 Cb 0.06 0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 43.17 3iw4 s PHE 630 CO 0.09 -0.44 -0.13 0.95 -1.46 0.00 0.00 175.22 174.23 3iw4 s THR 631 N 1.30 1.00 0.37 0.12 -4.23 -1.26 -4.26 115.64 108.67 3iw4 s THR 631 Ca -0.08 -0.93 0.34 0.00 -1.18 0.00 0.00 61.69 59.84 3iw4 s THR 631 Cb -0.06 -0.91 0.37 0.00 1.34 0.00 0.00 72.50 73.24 3iw4 s THR 631 CO -0.14 -0.01 2.11 0.03 -0.54 0.00 0.00 174.62 176.08 3iw4 h ARG 632 N 5.01 0.00 0.00 3.99 2.47 -2.01 -3.49 114.38 120.34 3iw4 h ARG 632 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 3iw4 h ARG 632 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 3iw4 h ARG 632 CO 0.44 0.05 0.00 0.41 0.56 0.00 0.00 179.97 181.43 3iw4 n GLY 633 N -0.51 1.01 3.10 0.04 0.00 -1.26 -4.97 105.19 102.59 3iw4 n GLY 633 Ca -0.01 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 3iw4 n GLY 633 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iw4 s GLN 634 N -1.56 2.43 -0.36 1.61 -0.21 -1.26 -5.06 119.66 115.25 3iw4 s GLN 634 Ca 0.00 -1.23 -0.33 0.00 0.02 0.00 0.00 55.36 53.82 3iw4 s GLN 634 Cb 0.00 -2.88 -0.10 0.00 1.00 0.00 0.00 33.01 31.03 3iw4 s GLN 634 CO 0.00 -0.50 2.23 -2.30 -2.12 0.00 0.00 175.29 172.59 3iw4 n PRO 635 N 4.50 1.17 -3.25 2.91 -0.02 -1.26 -4.98 135.00 134.08 3iw4 n PRO 635 Ca -0.15 0.30 -0.18 0.00 -2.02 0.00 0.00 63.50 61.45 3iw4 n PRO 635 Cb 0.44 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3iw4 n PRO 635 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3iw4 s VAL 636 N 7.84 3.47 0.00 -1.45 -7.23 -1.26 -4.88 120.40 116.90 3iw4 s VAL 636 Ca 1.08 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3iw4 s VAL 636 Cb -0.75 -3.18 0.00 0.00 0.56 0.00 0.00 36.38 33.01 3iw4 s VAL 636 CO 0.45 -0.07 0.00 0.18 -0.31 0.00 0.00 175.10 175.35 3iw4 n LEU 637 N -1.74 0.00 -4.86 1.32 4.32 -1.26 -5.24 117.00 109.55 3iw4 n LEU 637 Ca 0.04 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.82 3iw4 n LEU 637 Cb 0.59 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.35 3iw4 n LEU 637 CO 0.40 0.00 -0.08 -2.16 -1.22 0.00 0.00 177.39 174.33 3iw4 s PRO 639 N 2.65 2.79 0.24 3.23 0.04 -1.26 -5.20 135.00 137.49 3iw4 s PRO 639 Ca 0.00 -1.24 -0.30 0.00 0.04 0.00 0.00 61.00 59.51 3iw4 s PRO 639 Cb 0.00 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.94 3iw4 s PRO 639 CO 0.00 0.14 1.05 -1.25 0.04 0.00 0.00 177.00 176.98 3iw4 s PRO 640 N -3.98 4.69 -0.77 0.56 0.04 -1.26 -4.99 135.00 129.30 3iw4 s PRO 640 Ca 0.40 1.69 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 3iw4 s PRO 640 Cb -0.06 -3.24 0.12 0.00 0.04 0.00 0.00 34.50 31.36 3iw4 s PRO 640 CO 0.27 0.27 0.92 0.34 0.04 0.00 0.00 177.00 178.84 3iw4 s ASP 641 N -0.77 6.43 0.38 6.66 2.15 -1.26 -4.92 116.67 125.35 3iw4 s ASP 641 Ca 0.45 -1.77 0.17 0.00 0.43 0.00 0.00 52.55 51.83 3iw4 s ASP 641 Cb -0.29 -2.35 1.05 0.00 -0.30 0.00 0.00 42.92 41.03 3iw4 s ASP 641 CO 0.37 -1.08 1.78 1.56 -0.17 0.00 0.00 175.17 177.63 3iw4 h GLN 642 N 8.92 0.43 -0.29 4.34 1.08 -1.99 0.45 115.11 128.05 3iw4 h GLN 642 Ca -0.06 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.09 3iw4 h GLN 642 Cb 1.05 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 3iw4 h GLN 642 CO 1.07 0.28 0.11 1.25 -0.95 0.00 0.00 178.83 180.59 3iw4 h LEU 643 N 0.44 0.41 0.66 1.46 5.85 -2.00 -0.40 115.31 121.73 3iw4 h LEU 643 Ca 0.59 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 3iw4 h LEU 643 Cb 1.40 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 3iw4 h LEU 643 CO -0.31 0.47 -0.47 0.58 -0.34 0.00 0.00 178.44 178.38 3iw4 h VAL 644 N 0.31 0.07 -0.67 1.05 2.07 -1.37 -3.16 116.25 114.56 3iw4 h VAL 644 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3iw4 h VAL 644 Cb 0.20 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 29.93 3iw4 h VAL 644 CO -0.01 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.51 3iw4 h ILE 645 N -1.07 0.05 -1.71 4.57 2.04 -1.01 0.30 117.51 120.67 3iw4 h ILE 645 Ca -0.08 0.00 0.52 0.00 1.00 0.00 0.00 64.86 66.30 3iw4 h ILE 645 Cb 0.89 0.05 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 3iw4 h ILE 645 CO 0.04 0.00 1.20 0.00 0.00 0.00 0.00 178.15 179.40 3iw4 n ALA 646 N -3.20 1.66 0.08 1.87 0.00 -0.19 -0.86 120.51 119.88 3iw4 n ALA 646 Ca 0.02 0.69 0.06 0.00 0.00 0.00 0.00 53.44 54.21 3iw4 n ALA 646 Cb 0.34 -1.07 0.13 0.00 0.00 0.00 0.00 19.45 18.85 3iw4 n ALA 646 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iw4 n ASN 647 N -4.08 2.66 -4.63 0.00 4.13 0.10 -4.93 115.26 108.52 3iw4 n ASN 647 Ca 0.41 -1.82 -0.43 0.00 1.68 0.00 0.00 54.58 54.43 3iw4 n ASN 647 Cb 1.80 -0.16 -0.03 0.00 -1.54 0.00 0.00 39.78 39.85 3iw4 n ASN 647 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3iw4 s ILE 648 N -1.02 3.54 -0.65 2.41 1.01 -0.04 -4.89 121.20 121.57 3iw4 s ILE 648 Ca 0.22 0.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 3iw4 s ILE 648 Cb 0.12 -3.57 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 3iw4 s ILE 648 CO 0.17 -0.25 2.42 -0.67 0.00 0.00 0.00 174.94 176.61 3iw4 n ASP 649 N 8.90 1.99 0.27 3.58 -0.08 -1.26 -4.73 116.55 125.23 3iw4 n ASP 649 Ca 0.20 -0.97 0.13 0.00 -1.51 0.00 0.00 54.79 52.65 3iw4 n ASP 649 Cb 0.45 -1.60 0.77 0.00 2.34 0.00 0.00 41.12 43.08 3iw4 n ASP 649 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 3iw4 h GLN 650 N 16.17 0.00 -0.62 -0.67 1.08 -1.94 -2.86 115.11 126.27 3iw4 h GLN 650 Ca -0.12 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 3iw4 h GLN 650 Cb 1.14 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.54 3iw4 h GLN 650 CO 1.10 0.09 0.36 0.66 -0.95 0.00 0.00 178.83 180.09 3iw4 h SER 651 N 0.00 0.74 0.00 1.46 4.64 -2.02 -2.50 113.55 115.87 3iw4 h SER 651 Ca -0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3iw4 h SER 651 Cb 0.27 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3iw4 h SER 651 CO 0.01 0.58 0.60 0.44 -0.87 0.00 0.00 176.83 177.59 3iw4 h ASP 652 N 0.85 0.00 0.00 4.97 3.32 -1.90 0.25 116.42 123.91 3iw4 h ASP 652 Ca 0.22 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3iw4 h ASP 652 Cb -0.02 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3iw4 h ASP 652 CO -0.04 0.00 -0.27 0.49 -1.72 0.00 0.00 179.24 177.70 3iw4 n PHE 653 N -2.18 0.00 -1.54 4.55 3.01 -0.94 -4.97 117.46 115.40 3iw4 n PHE 653 Ca -0.01 -0.89 -0.46 0.00 1.01 0.00 0.00 57.45 57.10 3iw4 n PHE 653 Cb 0.61 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.91 3iw4 n PHE 653 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3iw4 n GLU 654 N -0.97 0.95 -4.05 -1.08 2.13 0.07 -2.55 120.64 115.14 3iw4 n GLU 654 Ca 0.13 0.33 -0.27 0.00 0.66 0.00 0.00 57.16 58.02 3iw4 n GLU 654 Cb 0.70 -1.62 -0.04 0.00 0.27 0.00 0.00 31.44 30.75 3iw4 n GLU 654 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iw4 n GLY 655 N 1.53 -0.19 2.66 8.31 0.00 -1.26 -5.15 105.19 111.08 3iw4 n GLY 655 Ca 0.13 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3iw4 n GLY 655 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iw4 n PHE 656 N -4.45 2.72 0.00 1.61 7.35 -1.06 -5.10 117.46 118.53 3iw4 n PHE 656 Ca -0.32 -2.79 0.00 0.00 -0.76 0.00 0.00 57.45 53.58 3iw4 n PHE 656 Cb 0.69 -1.86 0.00 0.00 0.35 0.00 0.00 39.48 38.67 3iw4 n PHE 656 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 3iw4 n TYR 658 N 2.60 0.00 -3.76 -5.13 9.36 -1.08 -4.66 117.16 114.48 3iw4 n TYR 658 Ca 0.51 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.50 3iw4 n TYR 658 Cb 0.30 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.83 3iw4 n TYR 658 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iw4 s VAL 659 N -2.00 0.36 -0.52 2.97 1.01 -1.26 -0.62 120.40 120.34 3iw4 s VAL 659 Ca 0.00 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.76 3iw4 s VAL 659 Cb 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 3iw4 s VAL 659 CO 0.00 0.19 1.63 0.21 0.00 0.00 0.00 175.10 177.13 3iw4 s ASN 660 N 1.97 5.83 0.35 3.32 2.47 -0.65 -4.85 114.94 123.38 3iw4 s ASN 660 Ca 0.04 0.53 0.07 0.00 0.42 0.00 0.00 52.86 53.92 3iw4 s ASN 660 Cb -0.13 -2.54 0.75 0.00 -1.45 0.00 0.00 41.25 37.89 3iw4 s ASN 660 CO -0.06 -1.90 1.92 1.55 -3.72 0.00 0.00 177.10 174.90 3iw4 h PRO 661 N 12.60 0.73 -0.86 0.43 0.13 -1.94 -2.84 132.00 140.24 3iw4 h PRO 661 Ca -0.28 -0.04 -0.52 0.00 -0.87 0.00 0.00 66.00 64.29 3iw4 h PRO 661 Cb 1.13 -0.17 -0.28 0.00 0.13 0.00 0.00 31.00 31.82 3iw4 h PRO 661 CO 1.16 0.48 0.47 1.04 -0.23 0.00 0.00 178.00 180.92 3iw4 n GLN 662 N -4.51 2.45 -2.21 0.86 1.13 -1.26 -4.99 117.38 108.85 3iw4 n GLN 662 Ca 0.13 -3.25 -0.42 0.00 -1.94 0.00 0.00 57.00 51.52 3iw4 n GLN 662 Cb 0.31 -2.16 -0.03 0.00 0.11 0.00 0.00 30.24 28.47 3iw4 n GLN 662 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3iw4 s PHE 663 N -3.50 3.00 -0.61 1.08 5.36 -1.08 -4.97 117.98 117.26 3iw4 s PHE 663 Ca 0.57 0.88 -0.13 0.00 -0.96 0.00 0.00 56.93 57.29 3iw4 s PHE 663 Cb 0.47 -3.66 0.15 0.00 -0.34 0.00 0.00 43.02 39.65 3iw4 s PHE 663 CO 0.04 -2.38 0.53 0.08 -1.46 0.00 0.00 175.22 172.04 3iw4 s VAL 664 N 1.92 4.99 0.66 3.12 1.01 -1.26 -5.06 120.40 125.78 3iw4 s VAL 664 Ca 0.64 -1.94 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 3iw4 s VAL 664 Cb -0.33 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 3iw4 s VAL 664 CO 0.28 -0.89 1.25 -1.00 0.00 0.00 0.00 175.10 174.74 3iw4 s HIS 665 N 1.03 2.15 0.18 5.22 3.76 -1.26 -4.89 115.29 121.48 3iw4 s HIS 665 Ca 0.09 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.21 3iw4 s HIS 665 Cb -0.23 -3.59 -0.10 0.00 1.11 0.00 0.00 32.58 29.77 3iw4 s HIS 665 CO -0.02 -2.67 1.55 -1.25 -0.85 0.00 0.00 174.74 171.50 3iw4 s PRO 666 N -3.50 4.22 0.54 8.40 0.04 -1.26 -4.95 135.00 138.48 3iw4 s PRO 666 Ca 0.79 2.35 -0.19 0.00 0.04 0.00 0.00 61.00 64.00 3iw4 s PRO 666 Cb -0.34 -3.15 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 3iw4 s PRO 666 CO 0.39 -0.58 0.48 -0.89 0.04 0.00 0.00 177.00 176.45 3iw4 n ILE 667 N 3.67 1.98 -1.86 0.56 5.41 -1.26 -4.96 119.36 122.91 3iw4 n ILE 667 Ca 0.13 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.97 3iw4 n ILE 667 Cb 0.39 -0.61 -0.01 0.00 -0.71 0.00 0.00 39.64 38.70 3iw4 n ILE 667 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3iw4 s LEU 668 N 1.26 4.34 0.00 1.39 1.02 -1.26 -5.28 118.68 120.15 3iw4 s LEU 668 Ca 0.67 2.97 0.04 0.00 0.02 0.00 0.00 54.13 57.83 3iw4 s LEU 668 Cb -0.48 -3.66 0.21 0.00 0.02 0.00 0.00 46.19 42.28 3iw4 s LEU 668 CO 0.56 -0.82 0.69 0.00 0.02 0.00 0.00 176.35 176.80