#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ib2 n THR 343 N 0.00 2.61 -3.76 -0.72 5.66 -1.26 -4.83 114.28 111.99 3ib2 n THR 343 Ca 0.00 -1.78 -0.36 0.00 -3.05 0.00 0.00 64.05 58.86 3ib2 n THR 343 Cb 0.00 -0.30 -0.07 0.00 -1.55 0.00 0.00 70.33 68.41 3ib2 n THR 343 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 3ib2 s ARG 344 N -2.90 3.91 -0.08 1.09 3.52 -1.26 -4.92 118.95 118.31 3ib2 s ARG 344 Ca 0.49 -0.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3ib2 s ARG 344 Cb 0.39 -3.33 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 3ib2 s ARG 344 CO 0.11 0.48 -0.18 0.08 -0.81 0.00 0.00 175.30 174.99 3ib2 s VAL 345 N -0.19 2.67 -0.27 7.11 1.01 -0.72 -5.03 120.40 124.98 3ib2 s VAL 345 Ca 0.12 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3ib2 s VAL 345 Cb -0.12 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 3ib2 s VAL 345 CO 0.01 0.56 0.23 -0.69 0.00 0.00 0.00 175.10 175.22 3ib2 s VAL 346 N -0.17 5.28 0.03 2.92 1.01 -1.26 -0.79 120.40 127.43 3ib2 s VAL 346 Ca -0.02 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.17 3ib2 s VAL 346 Cb -0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3ib2 s VAL 346 CO 0.03 0.25 0.31 0.86 0.00 0.00 0.00 175.10 176.55 3ib2 s TRP 347 N 1.69 3.57 -0.27 5.22 -0.11 0.19 -0.66 118.94 128.58 3ib2 s TRP 347 Ca 0.09 0.62 -0.09 0.00 1.22 0.00 0.00 56.10 57.95 3ib2 s TRP 347 Cb -0.15 -2.03 -0.03 0.00 -1.50 0.00 0.00 33.47 29.76 3ib2 s TRP 347 CO 0.10 0.58 0.12 0.00 -4.62 0.00 0.00 176.95 173.13 3ib2 s ALA 349 N 1.66 3.75 -0.41 0.00 0.00 0.13 -4.76 121.76 122.13 3ib2 s ALA 349 Ca 0.06 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 3ib2 s ALA 349 Cb -0.16 -2.25 0.08 0.00 0.00 0.00 0.00 23.12 20.79 3ib2 s ALA 349 CO 0.06 0.55 0.23 0.08 0.00 0.00 0.00 175.76 176.68 3ib2 s VAL 350 N -1.19 4.05 0.00 0.00 1.01 -1.26 -0.80 120.40 122.21 3ib2 s VAL 350 Ca 0.25 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3ib2 s VAL 350 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ib2 s VAL 350 CO 0.14 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.36 3ib2 n GLY 351 N 4.86 -1.23 0.20 4.51 0.00 0.56 -4.43 105.19 109.67 3ib2 n GLY 351 Ca -0.10 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.30 3ib2 n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ib2 h PRO 352 N 0.00 0.21 0.00 1.61 0.13 -1.94 -1.58 132.00 130.43 3ib2 h PRO 352 Ca 0.00 -0.09 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 3ib2 h PRO 352 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 3ib2 h PRO 352 CO 0.00 0.57 -0.74 0.93 -0.23 0.00 0.00 178.00 178.53 3ib2 h GLU 353 N 0.18 0.00 0.02 0.86 5.08 -1.97 -1.74 114.58 117.01 3ib2 h GLU 353 Ca 0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3ib2 h GLU 353 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3ib2 h GLU 353 CO 0.06 0.74 -0.94 0.93 -1.00 0.00 0.00 179.01 178.80 3ib2 h GLU 354 N 0.00 0.16 0.02 2.33 5.08 -1.73 -2.68 114.58 117.76 3ib2 h GLU 354 Ca -0.01 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3ib2 h GLU 354 Cb 1.31 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.63 3ib2 h GLU 354 CO 0.10 0.98 -0.01 0.37 -1.00 0.00 0.00 179.01 179.45 3ib2 h GLN 355 N 0.08 -0.03 -0.38 2.33 4.15 -1.12 -0.09 115.11 120.05 3ib2 h GLN 355 Ca -0.05 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.43 3ib2 h GLN 355 Cb 1.60 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 29.21 3ib2 h GLN 355 CO 0.14 0.02 -0.52 -0.22 -1.93 0.00 0.00 178.83 176.31 3ib2 h LYS 356 N -0.07 -0.39 -0.96 1.69 1.63 -1.36 -0.29 116.57 116.82 3ib2 h LYS 356 Ca -0.00 0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3ib2 h LYS 356 Cb 0.06 0.09 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 3ib2 h LYS 356 CO 0.01 -0.26 0.63 -0.22 -3.45 0.00 0.00 179.45 176.16 3ib2 h LYS 357 N -0.40 1.20 -0.55 1.90 3.64 -1.37 -2.47 116.57 118.52 3ib2 h LYS 357 Ca 0.09 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ib2 h LYS 357 Cb 0.61 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3ib2 h LYS 357 CO -0.57 0.79 0.27 0.00 -2.27 0.00 0.00 179.45 177.67 3ib2 h GLN 359 N 0.74 0.66 -0.25 0.00 4.20 -0.64 0.34 115.11 120.16 3ib2 h GLN 359 Ca 0.19 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.73 3ib2 h GLN 359 Cb 0.10 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 3ib2 h GLN 359 CO -0.03 0.74 0.05 1.96 -0.67 0.00 0.00 178.83 180.89 3ib2 h GLN 360 N 0.61 0.14 -0.61 1.46 4.20 -1.39 -1.04 115.11 118.47 3ib2 h GLN 360 Ca 0.11 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3ib2 h GLN 360 Cb 0.52 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3ib2 h GLN 360 CO 0.03 0.09 0.18 2.35 -0.67 0.00 0.00 178.83 180.81 3ib2 h TRP 361 N 0.14 0.96 -0.20 2.96 7.01 -0.96 -2.19 115.95 123.68 3ib2 h TRP 361 Ca 0.11 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 3ib2 h TRP 361 Cb 0.11 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 3ib2 h TRP 361 CO -0.16 0.78 0.04 1.03 -2.79 0.00 0.00 178.44 177.34 3ib2 h SER 362 N 0.90 0.31 0.23 2.65 0.87 0.02 -1.56 113.55 116.98 3ib2 h SER 362 Ca 0.20 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3ib2 h SER 362 Cb 0.28 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 3ib2 h SER 362 CO -0.01 0.48 -0.36 -0.61 -0.53 0.00 0.00 176.83 175.80 3ib2 h GLN 363 N 0.12 -0.64 -0.16 2.24 4.15 -1.11 -1.91 115.11 117.81 3ib2 h GLN 363 Ca 0.06 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.57 3ib2 h GLN 363 Cb 0.30 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3ib2 h GLN 363 CO 0.00 -0.43 0.15 1.96 -1.93 0.00 0.00 178.83 178.59 3ib2 h GLN 364 N -0.67 0.00 -0.00 1.69 1.08 -1.36 -2.67 115.11 113.17 3ib2 h GLN 364 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3ib2 h GLN 364 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 3ib2 h GLN 364 CO -0.14 0.00 -0.16 -1.13 -0.95 0.00 0.00 178.83 176.44 3ib2 n SER 365 N -4.00 0.61 -0.52 1.46 3.41 -0.59 -4.92 113.62 109.07 3ib2 n SER 365 Ca 0.01 -0.61 -0.05 0.00 -0.26 0.00 0.00 58.87 57.96 3ib2 n SER 365 Cb 0.28 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.19 3ib2 n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ib2 n GLY 366 N 1.31 0.47 2.35 5.00 0.00 -1.01 -2.42 105.19 110.90 3ib2 n GLY 366 Ca 0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3ib2 n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ib2 n GLN 367 N -2.19 -0.80 0.23 1.61 1.13 -0.73 -4.90 117.38 111.73 3ib2 n GLN 367 Ca -0.06 0.79 0.08 0.00 -1.94 0.00 0.00 57.00 55.87 3ib2 n GLN 367 Cb 0.36 -4.72 0.55 0.00 0.11 0.00 0.00 30.24 26.55 3ib2 n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3ib2 h ASN 368 N 0.00 0.00 -3.91 1.08 2.35 -1.70 -3.41 115.58 109.98 3ib2 h ASN 368 Ca -0.19 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.93 3ib2 h ASN 368 Cb 0.68 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.73 3ib2 h ASN 368 CO 0.28 0.21 -0.86 -0.69 -1.65 0.00 0.00 177.43 174.71 3ib2 s VAL 369 N -4.29 1.79 0.42 2.81 1.01 -1.26 -1.76 120.40 119.13 3ib2 s VAL 369 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3ib2 s VAL 369 Cb 0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.97 3ib2 s VAL 369 CO 0.65 0.50 0.07 0.42 0.00 0.00 0.00 175.10 176.75 3ib2 s THR 370 N -0.03 0.99 -0.08 3.92 -4.23 0.03 -4.35 115.64 111.88 3ib2 s THR 370 Ca -0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3ib2 s THR 370 Cb -0.13 -2.43 0.01 0.00 1.34 0.00 0.00 72.50 71.29 3ib2 s THR 370 CO 0.03 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 173.96 3ib2 s ALA 372 N 0.69 3.35 -0.02 0.00 0.00 -0.08 -4.89 121.76 120.82 3ib2 s ALA 372 Ca -0.13 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.80 3ib2 s ALA 372 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.69 3ib2 s ALA 372 CO 0.03 0.71 -0.18 0.99 0.00 0.00 0.00 175.76 177.31 3ib2 s THR 373 N -1.31 1.44 0.27 0.00 2.01 -1.26 0.22 115.64 117.02 3ib2 s THR 373 Ca 0.26 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.52 3ib2 s THR 373 Cb -0.12 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.13 3ib2 s THR 373 CO 0.18 0.41 0.03 0.00 -0.69 0.00 0.00 174.62 174.56 3ib2 s ALA 374 N -0.38 2.04 -0.69 7.40 0.00 0.02 -4.93 121.76 125.22 3ib2 s ALA 374 Ca 0.06 -1.91 0.26 0.00 0.00 0.00 0.00 51.96 50.37 3ib2 s ALA 374 Cb -0.08 0.64 0.75 0.00 0.00 0.00 0.00 23.12 24.43 3ib2 s ALA 374 CO -0.00 -0.30 1.75 0.77 0.00 0.00 0.00 175.76 177.98 3ib2 h SER 375 N 2.31 0.00 -5.12 0.00 0.02 -1.95 0.16 113.55 108.97 3ib2 h SER 375 Ca -0.39 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 3ib2 h SER 375 Cb 1.24 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.63 3ib2 h SER 375 CO 0.66 0.00 -0.29 0.42 -1.14 0.00 0.00 176.83 176.48 3ib2 s THR 376 N -3.12 0.12 0.14 -2.27 -4.23 -1.26 -4.55 115.64 100.47 3ib2 s THR 376 Ca 0.10 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.48 3ib2 s THR 376 Cb 0.11 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 3ib2 s THR 376 CO 0.61 -0.53 1.79 0.74 -0.54 0.00 0.00 174.62 176.68 3ib2 h THR 377 N 2.75 1.04 -0.94 3.99 2.02 -1.91 -2.24 112.91 117.62 3ib2 h THR 377 Ca -0.34 -0.13 0.13 0.00 0.77 0.00 0.00 66.41 66.84 3ib2 h THR 377 Cb 1.21 0.61 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 3ib2 h THR 377 CO 0.52 0.07 0.60 0.44 0.37 0.00 0.00 175.52 177.52 3ib2 h ASP 378 N 0.39 0.79 -0.53 4.18 3.32 -1.97 0.10 116.42 122.71 3ib2 h ASP 378 Ca 0.13 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3ib2 h ASP 378 Cb -0.00 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 3ib2 h ASP 378 CO -0.06 0.42 -0.11 0.44 -1.72 0.00 0.00 179.24 178.21 3ib2 h ASP 379 N 0.84 1.01 -0.59 6.45 5.19 -1.90 -0.97 116.42 126.44 3ib2 h ASP 379 Ca 0.46 -0.35 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3ib2 h ASP 379 Cb 0.58 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.79 3ib2 h ASP 379 CO -0.23 1.13 0.26 0.00 -3.12 0.00 0.00 179.24 177.28 3ib2 h ILE 381 N 0.89 1.25 -0.68 0.00 2.04 -0.37 -1.74 117.51 118.89 3ib2 h ILE 381 Ca 0.21 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 3ib2 h ILE 381 Cb 0.15 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3ib2 h ILE 381 CO -0.02 0.26 0.15 0.58 0.00 0.00 0.00 178.15 179.12 3ib2 h VAL 382 N 1.23 1.26 -0.61 1.67 2.07 -0.64 -2.37 116.25 118.87 3ib2 h VAL 382 Ca 0.32 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.90 3ib2 h VAL 382 Cb -0.04 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3ib2 h VAL 382 CO -0.06 0.38 0.34 -0.07 0.02 0.00 0.00 177.57 178.17 3ib2 h LEU 383 N 1.04 0.51 0.03 2.57 3.38 -0.74 -1.09 115.31 121.01 3ib2 h LEU 383 Ca 0.21 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3ib2 h LEU 383 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3ib2 h LEU 383 CO 0.01 0.34 -0.06 0.58 0.09 0.00 0.00 178.44 179.40 3ib2 h VAL 384 N 0.64 0.85 -0.86 1.22 2.07 -1.16 0.31 116.25 119.33 3ib2 h VAL 384 Ca 0.26 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.87 3ib2 h VAL 384 Cb 0.13 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 3ib2 h VAL 384 CO -0.16 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.88 3ib2 h LEU 385 N -0.12 0.78 -0.78 2.57 3.38 -1.17 0.72 115.31 120.69 3ib2 h LEU 385 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ib2 h LEU 385 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3ib2 h LEU 385 CO -0.04 0.47 0.00 0.11 0.09 0.00 0.00 178.44 179.07 3ib2 h LYS 386 N 0.90 0.00 0.00 1.13 1.57 -0.90 -3.46 116.57 115.80 3ib2 h LYS 386 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3ib2 h LYS 386 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3ib2 h LYS 386 CO -0.21 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 3ib2 n GLY 387 N 0.12 0.55 0.19 3.86 0.00 0.25 -4.94 105.19 105.21 3ib2 n GLY 387 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3ib2 n GLY 387 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ib2 h GLU 388 N 1.27 0.00 -5.24 1.61 5.08 -1.18 -3.45 114.58 112.67 3ib2 h GLU 388 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 3ib2 h GLU 388 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 3ib2 h GLU 388 CO 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 179.01 177.36 3ib2 s ALA 389 N -3.26 2.05 -0.24 3.43 0.00 -1.06 -4.95 121.76 117.73 3ib2 s ALA 389 Ca 0.05 -1.84 -0.00 0.00 0.00 0.00 0.00 51.96 50.16 3ib2 s ALA 389 Cb 0.06 0.41 -0.18 0.00 0.00 0.00 0.00 23.12 23.41 3ib2 s ALA 389 CO 0.71 -0.20 -0.15 -0.25 0.00 0.00 0.00 175.76 175.87 3ib2 n ASP 390 N -0.50 2.00 -3.46 0.00 8.00 0.16 -4.14 116.55 118.61 3ib2 n ASP 390 Ca -0.05 -0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3ib2 n ASP 390 Cb 0.64 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 3ib2 n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ib2 s ALA 391 N -2.52 -1.70 0.05 2.24 0.00 -1.15 -4.25 121.76 114.43 3ib2 s ALA 391 Ca -0.33 0.74 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3ib2 s ALA 391 Cb 0.09 0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.95 3ib2 s ALA 391 CO 0.62 -0.72 0.79 -0.48 0.00 0.00 0.00 175.76 175.97 3ib2 s LEU 392 N -2.58 -0.43 -0.12 0.00 2.34 -1.19 -1.37 118.68 115.32 3ib2 s LEU 392 Ca 0.02 -0.00 -0.17 0.00 0.06 0.00 0.00 54.13 54.04 3ib2 s LEU 392 Cb -0.01 2.22 -0.04 0.00 -0.56 0.00 0.00 46.19 47.80 3ib2 s LEU 392 CO -0.11 -0.74 0.43 0.21 -1.06 0.00 0.00 176.35 175.08 3ib2 s ASN 393 N -2.58 6.63 -0.02 1.48 2.47 -1.26 -1.33 114.94 120.33 3ib2 s ASN 393 Ca 0.04 0.75 0.04 0.00 0.42 0.00 0.00 52.86 54.10 3ib2 s ASN 393 Cb -0.01 -2.26 -0.01 0.00 -1.45 0.00 0.00 41.25 37.52 3ib2 s ASN 393 CO -0.10 0.03 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.42 3ib2 s LEU 394 N 0.55 1.94 0.53 3.21 1.43 0.01 -4.93 118.68 121.42 3ib2 s LEU 394 Ca 0.24 -0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 3ib2 s LEU 394 Cb -0.15 -0.72 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 3ib2 s LEU 394 CO 0.09 0.14 1.12 -0.67 0.23 0.00 0.00 176.35 177.25 3ib2 n ASP 395 N 2.96 1.60 -0.31 2.29 2.03 -1.26 -1.95 116.55 121.90 3ib2 n ASP 395 Ca -0.16 0.93 0.20 0.00 0.52 0.00 0.00 54.79 56.29 3ib2 n ASP 395 Cb 0.55 -1.45 0.39 0.00 -0.72 0.00 0.00 41.12 39.89 3ib2 n ASP 395 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ib2 n GLY 396 N 1.07 -1.03 0.27 0.27 0.00 -1.26 -1.47 105.19 103.03 3ib2 n GLY 396 Ca 0.11 0.85 0.04 0.00 0.00 0.00 0.00 46.02 47.01 3ib2 n GLY 396 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ib2 h GLY 397 N 0.00 0.33 1.89 -0.02 0.00 -1.89 -1.44 103.07 101.93 3ib2 h GLY 397 Ca 0.66 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 3ib2 h GLY 397 CO -0.81 0.15 -0.42 -0.97 0.00 0.00 0.00 176.54 174.50 3ib2 h TYR 398 N 0.30 0.00 -0.24 5.60 0.05 -1.37 -3.15 116.97 118.17 3ib2 h TYR 398 Ca 0.07 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 3ib2 h TYR 398 Cb 0.18 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 3ib2 h TYR 398 CO 0.00 0.32 -0.13 0.82 -1.05 0.00 0.00 178.16 178.12 3ib2 h ILE 399 N 0.00 1.21 0.81 -2.88 2.04 -0.36 -1.62 117.51 116.71 3ib2 h ILE 399 Ca -0.01 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 64.87 3ib2 h ILE 399 Cb 1.25 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3ib2 h ILE 399 CO 0.04 0.30 -0.45 0.22 0.00 0.00 0.00 178.15 178.26 3ib2 h TYR 400 N 0.37 -1.18 -0.60 1.37 3.20 -1.40 -0.46 116.97 118.27 3ib2 h TYR 400 Ca 0.07 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.04 3ib2 h TYR 400 Cb 0.45 0.41 -0.12 0.00 1.54 0.00 0.00 36.73 39.01 3ib2 h TYR 400 CO 0.01 -0.69 -0.24 1.15 -1.64 0.00 0.00 178.16 176.75 3ib2 h THR 401 N -1.17 0.27 0.00 1.81 2.02 -1.50 -2.07 112.91 112.28 3ib2 h THR 401 Ca -0.11 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.98 3ib2 h THR 401 Cb 0.92 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3ib2 h THR 401 CO 0.14 0.00 -0.44 0.00 0.37 0.00 0.00 175.52 175.59 3ib2 h ALA 402 N 1.33 1.15 0.13 6.16 0.00 -1.25 -3.11 119.26 123.66 3ib2 h ALA 402 Ca 0.27 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3ib2 h ALA 402 Cb 0.51 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ib2 h ALA 402 CO -0.66 0.55 -1.24 0.78 0.00 0.00 0.00 179.25 178.68 3ib2 h GLY 403 N 1.57 0.38 1.72 0.00 0.00 -0.65 0.11 103.07 106.21 3ib2 h GLY 403 Ca -0.00 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.44 3ib2 h GLY 403 CO 0.06 0.81 0.11 0.50 0.00 0.00 0.00 176.54 178.01 3ib2 h LYS 404 N 0.11 0.00 -0.35 4.80 1.57 -1.37 -2.00 116.57 119.33 3ib2 h LYS 404 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3ib2 h LYS 404 Cb 1.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.26 3ib2 h LYS 404 CO 0.21 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3ib2 n GLY 406 N 1.17 0.67 3.83 0.00 0.00 -0.75 -5.05 105.19 105.06 3ib2 n GLY 406 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ib2 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib2 s LEU 407 N 0.00 3.27 -0.01 0.99 1.43 0.35 -4.12 118.68 120.58 3ib2 s LEU 407 Ca 0.00 1.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.74 3ib2 s LEU 407 Cb 0.00 -4.50 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 3ib2 s LEU 407 CO 0.00 -1.19 -0.11 0.68 0.23 0.00 0.00 176.35 175.96 3ib2 s VAL 408 N -2.92 0.88 0.25 -1.59 -7.23 -0.29 -4.15 120.40 105.34 3ib2 s VAL 408 Ca 0.58 -0.47 -0.31 0.00 -1.81 0.00 0.00 61.98 59.97 3ib2 s VAL 408 Cb -0.13 -0.74 -0.13 0.00 0.56 0.00 0.00 36.38 35.94 3ib2 s VAL 408 CO 0.49 0.25 1.56 -0.81 -0.31 0.00 0.00 175.10 176.28 3ib2 n PRO 409 N 2.87 2.44 -0.02 4.82 -0.04 -1.26 -2.04 135.00 141.76 3ib2 n PRO 409 Ca -0.14 0.87 -0.04 0.00 -0.04 0.00 0.00 63.50 64.15 3ib2 n PRO 409 Cb 0.56 -2.62 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 3ib2 n PRO 409 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ib2 n VAL 410 N 2.53 0.26 -3.70 0.52 0.31 0.72 -4.93 118.33 114.03 3ib2 n VAL 410 Ca 0.12 -0.08 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 3ib2 n VAL 410 Cb 0.34 -1.11 -0.09 0.00 -0.91 0.00 0.00 33.84 32.07 3ib2 n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3ib2 s LEU 411 N -5.76 0.24 0.03 7.52 1.43 -1.22 -4.52 118.68 116.40 3ib2 s LEU 411 Ca -0.06 0.74 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 3ib2 s LEU 411 Cb 0.02 1.64 -0.04 0.00 0.03 0.00 0.00 46.19 47.85 3ib2 s LEU 411 CO 0.09 -0.27 -0.07 0.00 0.23 0.00 0.00 176.35 176.33 3ib2 s ALA 412 N -0.23 3.01 0.30 4.21 0.00 -0.64 0.40 121.76 128.80 3ib2 s ALA 412 Ca -0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.55 3ib2 s ALA 412 Cb -0.03 -1.07 -0.11 0.00 0.00 0.00 0.00 23.12 21.90 3ib2 s ALA 412 CO 0.02 0.63 1.54 -1.21 0.00 0.00 0.00 175.76 176.74 3ib2 s GLU 413 N -1.65 4.15 -0.03 0.00 2.02 -0.18 -0.71 118.70 122.30 3ib2 s GLU 413 Ca 0.19 2.52 0.03 0.00 0.02 0.00 0.00 54.97 57.72 3ib2 s GLU 413 Cb -0.11 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.10 3ib2 s GLU 413 CO 0.10 -0.56 -0.10 1.21 0.02 0.00 0.00 175.26 175.93 3ib2 s ASN 414 N 0.31 1.31 0.23 -0.19 2.47 0.25 -4.80 114.94 114.52 3ib2 s ASN 414 Ca 0.60 -0.21 0.01 0.00 0.42 0.00 0.00 52.86 53.68 3ib2 s ASN 414 Cb -0.46 -0.39 0.01 0.00 -1.45 0.00 0.00 41.25 38.96 3ib2 s ASN 414 CO 0.50 0.06 0.08 -2.11 -3.72 0.00 0.00 177.10 171.92 3ib2 n ARG 415 N 3.36 1.32 -1.73 0.43 -4.01 -1.26 -0.81 116.66 113.96 3ib2 n ARG 415 Ca -0.19 -1.56 -0.29 0.00 -1.04 0.00 0.00 57.85 54.77 3ib2 n ARG 415 Cb 0.54 0.31 -0.04 0.00 -3.04 0.00 0.00 32.46 30.22 3ib2 n ARG 415 CO 0.00 0.00 0.00 -1.59 -3.04 0.00 0.00 177.63 173.00 3ib2 s LYS 416 N -2.88 2.14 0.00 2.89 -2.85 -1.26 -4.86 119.74 112.91 3ib2 s LYS 416 Ca 0.06 0.77 -0.25 0.00 -1.00 0.00 0.00 55.97 55.55 3ib2 s LYS 416 Cb -0.00 -4.66 -0.04 0.00 -2.06 0.00 0.00 37.83 31.06 3ib2 s LYS 416 CO 0.04 -3.49 0.78 -1.54 0.10 0.00 0.00 175.35 171.24 3ib2 s SER 417 N 10.44 7.16 0.03 0.03 1.04 -1.26 -4.99 113.70 126.16 3ib2 s SER 417 Ca 0.86 1.40 -0.20 0.00 0.48 0.00 0.00 55.95 58.49 3ib2 s SER 417 Cb -0.14 -2.47 -0.11 0.00 0.10 0.00 0.00 66.02 63.41 3ib2 s SER 417 CO 0.17 -0.07 1.27 0.77 0.98 0.00 0.00 173.24 176.35 3ib2 h SER 418 N 6.21 -0.60 -3.24 7.02 4.64 -2.01 -3.45 113.55 122.13 3ib2 h SER 418 Ca -0.42 0.02 -0.41 0.00 -0.47 0.00 0.00 61.79 60.50 3ib2 h SER 418 Cb 1.20 0.15 0.21 0.00 -0.31 0.00 0.00 62.40 63.66 3ib2 h SER 418 CO 0.73 -0.42 -0.01 -0.75 -0.87 0.00 0.00 176.83 175.51 3ib2 s LYS 419 N -4.50 -1.70 -0.98 4.77 2.20 -1.26 -4.53 119.74 113.74 3ib2 s LYS 419 Ca -0.10 0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.85 3ib2 s LYS 419 Cb 0.01 -1.50 -0.05 0.00 -1.51 0.00 0.00 37.83 34.78 3ib2 s LYS 419 CO 0.31 -4.13 0.86 0.72 -0.36 0.00 0.00 175.35 172.74 3ib2 n HIS 420 N -5.14 -2.56 0.00 4.03 8.25 -1.26 -5.02 115.22 113.51 3ib2 n HIS 420 Ca 0.08 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.44 3ib2 n HIS 420 Cb 0.58 -4.07 0.00 0.00 1.12 0.00 0.00 29.99 27.61 3ib2 n HIS 420 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3ib2 n SER 421 N -2.83 0.00 -0.89 0.41 2.88 -1.26 -4.49 113.62 107.45 3ib2 n SER 421 Ca -0.06 0.67 0.08 0.00 -1.33 0.00 0.00 58.87 58.23 3ib2 n SER 421 Cb 0.59 -0.22 0.19 0.00 -0.75 0.00 0.00 64.21 64.02 3ib2 n SER 421 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3ib2 n SER 422 N -1.15 3.15 -4.64 -3.46 7.64 -1.26 -4.90 113.62 108.99 3ib2 n SER 422 Ca 0.00 -1.93 -0.51 0.00 1.01 0.00 0.00 58.87 57.44 3ib2 n SER 422 Cb 0.00 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 3ib2 n SER 422 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ib2 n LEU 423 N 1.00 2.24 -4.76 -3.43 0.00 -1.26 -4.89 117.00 105.89 3ib2 n LEU 423 Ca 0.16 1.09 -0.41 0.00 0.00 0.00 0.00 56.01 56.85 3ib2 n LEU 423 Cb 0.49 -1.25 -0.01 0.00 0.00 0.00 0.00 43.42 42.65 3ib2 n LEU 423 CO 0.11 -0.70 1.16 -0.62 0.00 0.00 0.00 177.39 177.35 3ib2 s ASP 424 N 1.36 6.45 0.32 1.96 2.15 -1.26 -4.82 116.67 122.83 3ib2 s ASP 424 Ca 0.86 2.91 0.09 0.00 0.43 0.00 0.00 52.55 56.84 3ib2 s ASP 424 Cb -0.89 -2.65 0.89 0.00 -0.30 0.00 0.00 42.92 39.97 3ib2 s ASP 424 CO 0.48 -0.83 1.70 0.00 -0.17 0.00 0.00 175.17 176.36 3ib2 h VAL 426 N 0.47 0.00 -0.01 0.00 2.07 -1.90 -2.89 116.25 114.00 3ib2 h VAL 426 Ca 0.64 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.93 3ib2 h VAL 426 Cb 1.28 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 3ib2 h VAL 426 CO -0.52 0.00 -0.04 0.18 0.02 0.00 0.00 177.57 177.21 3ib2 n LEU 427 N -3.05 1.23 -4.73 2.57 4.77 -0.34 -1.18 117.00 116.27 3ib2 n LEU 427 Ca -0.01 -0.91 -0.41 0.00 -0.03 0.00 0.00 56.01 54.64 3ib2 n LEU 427 Cb 0.17 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3ib2 n LEU 427 CO 0.23 0.26 0.71 -0.60 -1.33 0.00 0.00 177.39 176.66 3ib2 s ARG 428 N -0.61 4.65 0.39 3.23 3.52 -0.84 -4.96 118.95 124.32 3ib2 s ARG 428 Ca 0.05 1.53 -0.27 0.00 -0.13 0.00 0.00 55.73 56.91 3ib2 s ARG 428 Cb 0.04 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.97 3ib2 s ARG 428 CO 0.09 0.13 1.44 -2.14 -0.81 0.00 0.00 175.30 174.01 3ib2 s PRO 429 N 0.06 4.03 0.45 5.12 0.02 -1.26 -4.89 135.00 138.52 3ib2 s PRO 429 Ca 0.49 2.47 -0.24 0.00 0.02 0.00 0.00 61.00 63.74 3ib2 s PRO 429 Cb -0.25 -2.89 -0.08 0.00 0.02 0.00 0.00 34.50 31.30 3ib2 s PRO 429 CO 0.31 -0.56 1.24 0.95 -0.33 0.00 0.00 177.00 178.61 3ib2 s THR 430 N -1.15 2.79 -0.05 0.99 -4.23 -1.26 -4.99 115.64 107.74 3ib2 s THR 430 Ca 0.54 0.64 0.07 0.00 -1.18 0.00 0.00 61.69 61.77 3ib2 s THR 430 Cb -0.45 -3.35 -0.24 0.00 1.34 0.00 0.00 72.50 69.80 3ib2 s THR 430 CO 0.60 0.04 0.62 -0.33 -0.54 0.00 0.00 174.62 175.00 3ib2 h GLU 431 N 2.26 0.08 0.00 3.99 5.08 -1.94 -3.50 114.58 120.55 3ib2 h GLU 431 Ca -0.50 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.72 3ib2 h GLU 431 Cb 1.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3ib2 h GLU 431 CO 0.61 0.72 0.00 0.41 -1.00 0.00 0.00 179.01 179.75 3ib2 n GLY 432 N 1.67 1.56 3.22 -3.84 0.00 -1.26 -4.99 105.19 101.55 3ib2 n GLY 432 Ca -0.20 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.67 3ib2 n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ib2 s TYR 433 N -2.12 1.21 -0.25 1.61 -0.85 -0.35 -4.87 117.35 111.73 3ib2 s TYR 433 Ca 0.00 -0.71 -0.18 0.00 -0.52 0.00 0.00 57.07 55.66 3ib2 s TYR 433 Cb 0.00 -0.63 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 3ib2 s TYR 433 CO 0.00 0.06 0.53 -0.51 -1.52 0.00 0.00 175.55 174.11 3ib2 s LEU 434 N -2.86 4.07 -0.03 -3.49 1.43 -1.26 0.11 118.68 116.65 3ib2 s LEU 434 Ca 0.12 0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 53.51 3ib2 s LEU 434 Cb 0.00 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 3ib2 s LEU 434 CO 0.01 -0.28 0.95 0.00 0.23 0.00 0.00 176.35 177.25 3ib2 s ALA 435 N 2.22 3.23 0.12 4.21 0.00 -0.39 -0.22 121.76 130.94 3ib2 s ALA 435 Ca 0.22 0.45 0.03 0.00 0.00 0.00 0.00 51.96 52.67 3ib2 s ALA 435 Cb -0.16 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3ib2 s ALA 435 CO 0.09 -0.30 -0.08 0.14 0.00 0.00 0.00 175.76 175.61 3ib2 s VAL 436 N 1.20 0.92 -0.19 0.00 -7.23 -0.53 -0.43 120.40 114.14 3ib2 s VAL 436 Ca 0.49 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.63 3ib2 s VAL 436 Cb -0.20 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 3ib2 s VAL 436 CO 0.25 -0.80 -0.05 0.00 -0.31 0.00 0.00 175.10 174.19 3ib2 s ALA 437 N -3.49 2.84 -0.07 1.32 0.00 -1.26 -2.60 121.76 118.51 3ib2 s ALA 437 Ca 0.15 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.11 3ib2 s ALA 437 Cb 0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3ib2 s ALA 437 CO -0.02 -0.16 -0.16 0.08 0.00 0.00 0.00 175.76 175.51 3ib2 s VAL 438 N 1.01 2.90 0.28 0.00 1.01 -0.01 -0.73 120.40 124.87 3ib2 s VAL 438 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.25 3ib2 s VAL 438 Cb -0.15 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 3ib2 s VAL 438 CO 0.00 0.57 0.03 0.68 0.00 0.00 0.00 175.10 176.39 3ib2 s VAL 439 N -0.43 1.10 0.12 2.92 -7.23 0.13 -1.25 120.40 115.77 3ib2 s VAL 439 Ca 0.05 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 3ib2 s VAL 439 Cb -0.12 -2.61 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 3ib2 s VAL 439 CO 0.02 -0.12 0.76 -0.75 -0.31 0.00 0.00 175.10 174.70 3ib2 s LYS 440 N -3.89 4.52 0.40 4.82 2.47 -1.26 -1.20 119.74 125.60 3ib2 s LYS 440 Ca 0.34 1.10 0.07 0.00 -1.56 0.00 0.00 55.97 55.92 3ib2 s LYS 440 Cb 0.07 -3.29 0.83 0.00 -1.46 0.00 0.00 37.83 33.98 3ib2 s LYS 440 CO 0.13 0.49 2.03 -0.22 0.16 0.00 0.00 175.35 177.94 3ib2 h LYS 441 N 4.74 0.59 0.00 4.03 3.64 -0.84 -2.36 116.57 126.38 3ib2 h LYS 441 Ca -0.46 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3ib2 h LYS 441 Cb 1.21 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3ib2 h LYS 441 CO 0.67 0.39 0.00 0.00 -2.27 0.00 0.00 179.45 178.24 3ib2 n ALA 442 N -2.47 1.72 -2.54 5.00 0.00 -1.26 -3.77 120.51 117.19 3ib2 n ALA 442 Ca 0.06 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 3ib2 n ALA 442 Cb 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3ib2 n ALA 442 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ib2 n ASN 443 N -2.06 5.17 -4.76 0.00 2.85 -0.89 -4.99 115.26 110.58 3ib2 n ASN 443 Ca 0.03 -3.08 -0.35 0.00 -0.11 0.00 0.00 54.58 51.06 3ib2 n ASN 443 Cb 0.23 -1.50 0.02 0.00 1.24 0.00 0.00 39.78 39.77 3ib2 n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3ib2 s GLU 444 N 0.61 3.16 0.00 1.20 2.02 -1.25 -2.98 118.70 121.46 3ib2 s GLU 444 Ca 0.40 1.72 0.00 0.00 0.02 0.00 0.00 54.97 57.11 3ib2 s GLU 444 Cb 0.06 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3ib2 s GLU 444 CO 0.01 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.67 3ib2 n GLY 445 N 0.33 0.14 3.66 -1.39 0.00 -1.26 -4.97 105.19 101.70 3ib2 n GLY 445 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3ib2 n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ib2 s LEU 446 N 0.00 4.15 0.34 0.99 2.96 -1.16 -4.90 118.68 121.05 3ib2 s LEU 446 Ca 0.00 0.93 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 3ib2 s LEU 446 Cb 0.00 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.67 3ib2 s LEU 446 CO 0.00 -0.31 0.19 0.42 -1.32 0.00 0.00 176.35 175.33 3ib2 s THR 447 N 2.00 0.27 0.32 3.68 -4.23 -1.26 -4.99 115.64 111.42 3ib2 s THR 447 Ca 0.31 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 3ib2 s THR 447 Cb -0.16 -2.46 0.31 0.00 1.34 0.00 0.00 72.50 71.53 3ib2 s THR 447 CO 0.11 0.00 1.75 -0.25 -0.54 0.00 0.00 174.62 175.69 3ib2 h TRP 448 N 2.08 1.01 0.00 3.99 2.91 -1.83 -0.59 115.95 123.52 3ib2 h TRP 448 Ca -0.31 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.74 3ib2 h TRP 448 Cb 1.25 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.60 3ib2 h TRP 448 CO 1.38 0.13 0.00 0.09 -1.03 0.00 0.00 178.44 179.01 3ib2 n ASN 449 N -4.82 0.00 -1.46 2.65 3.02 -1.26 -3.64 115.26 109.75 3ib2 n ASN 449 Ca 0.25 0.49 -0.02 0.00 -0.03 0.00 0.00 54.58 55.28 3ib2 n ASN 449 Cb 0.69 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 39.46 3ib2 n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3ib2 n SER 450 N -1.50 2.19 0.12 6.41 3.41 -0.23 -4.78 113.62 119.24 3ib2 n SER 450 Ca 0.04 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 3ib2 n SER 450 Cb 0.20 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 63.74 3ib2 n SER 450 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ib2 h LEU 451 N 1.48 0.00 -9.33 1.04 5.85 -1.62 -3.44 115.31 109.30 3ib2 h LEU 451 Ca -0.00 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.06 3ib2 h LEU 451 Cb 1.39 0.00 0.05 0.00 0.37 0.00 0.00 40.66 42.47 3ib2 h LEU 451 CO 0.21 0.63 0.58 1.17 -0.34 0.00 0.00 178.44 180.69 3ib2 n LYS 452 N -3.30 1.43 -0.97 1.25 4.81 -1.26 -1.05 118.16 119.06 3ib2 n LYS 452 Ca 0.01 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 3ib2 n LYS 452 Cb 0.77 -2.20 0.00 0.00 0.02 0.00 0.00 35.03 33.62 3ib2 n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ib2 n ASP 453 N 2.97 -3.48 -2.73 3.14 10.43 -0.33 -4.96 116.55 121.59 3ib2 n ASP 453 Ca 0.18 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.46 3ib2 n ASP 453 Cb 0.22 -1.52 0.06 0.00 1.84 0.00 0.00 41.12 41.71 3ib2 n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3ib2 n LYS 454 N -1.58 -0.10 -4.30 -1.24 4.76 -0.22 -3.94 118.16 111.55 3ib2 n LYS 454 Ca 0.00 -0.78 -0.34 0.00 -2.87 0.00 0.00 58.31 54.32 3ib2 n LYS 454 Cb 0.16 -0.36 -0.11 0.00 -1.84 0.00 0.00 35.03 32.87 3ib2 n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3ib2 s LYS 455 N -3.69 3.75 0.22 1.97 1.02 -1.26 -1.14 119.74 120.61 3ib2 s LYS 455 Ca 0.24 -0.47 0.11 0.00 0.02 0.00 0.00 55.97 55.87 3ib2 s LYS 455 Cb -0.01 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 3ib2 s LYS 455 CO 0.16 0.26 -0.22 -1.54 -0.92 0.00 0.00 175.35 173.09 3ib2 s SER 456 N 0.34 3.52 -0.11 2.83 1.04 -0.74 0.69 113.70 121.26 3ib2 s SER 456 Ca -0.02 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.52 3ib2 s SER 456 Cb -0.14 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.71 3ib2 s SER 456 CO 0.02 0.10 -0.12 0.00 0.98 0.00 0.00 173.24 174.22 3ib2 s HIS 458 N 1.32 1.87 0.10 0.00 3.76 -0.67 -1.79 115.29 119.88 3ib2 s HIS 458 Ca -0.01 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 3ib2 s HIS 458 Cb -0.14 -1.01 -0.09 0.00 1.11 0.00 0.00 32.58 32.46 3ib2 s HIS 458 CO -0.06 0.24 1.69 1.79 -0.85 0.00 0.00 174.74 177.56 3ib2 h THR 459 N 3.93 1.10 0.00 1.30 1.35 -1.72 -3.40 112.91 115.48 3ib2 h THR 459 Ca -0.46 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3ib2 h THR 459 Cb 1.18 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3ib2 h THR 459 CO 0.41 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 3ib2 n ALA 460 N -2.19 0.00 -1.51 6.62 0.00 -1.26 -0.62 120.51 121.55 3ib2 n ALA 460 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 3ib2 n ALA 460 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.51 3ib2 n ALA 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ib2 n VAL 461 N -0.05 1.96 -0.93 0.00 0.31 0.41 -2.73 118.33 117.30 3ib2 n VAL 461 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 3ib2 n VAL 461 Cb 0.00 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 3ib2 n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3ib2 n ASP 462 N 1.38 -1.07 -4.86 4.52 8.00 -1.26 -4.98 116.55 118.28 3ib2 n ASP 462 Ca 0.12 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.30 3ib2 n ASP 462 Cb 0.33 -0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 3ib2 n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3ib2 s ARG 463 N -0.27 3.88 0.05 -1.24 0.52 -1.11 -3.87 118.95 116.91 3ib2 s ARG 463 Ca 0.00 0.47 -0.24 0.00 -0.52 0.00 0.00 55.73 55.44 3ib2 s ARG 463 Cb 0.00 -2.50 -0.12 0.00 0.52 0.00 0.00 34.95 32.84 3ib2 s ARG 463 CO 0.00 0.17 1.37 1.15 0.02 0.00 0.00 175.30 178.02 3ib2 h THR 464 N 1.78 0.00 0.05 0.02 2.02 -1.92 0.99 112.91 115.84 3ib2 h THR 464 Ca -0.47 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 3ib2 h THR 464 Cb 1.18 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3ib2 h THR 464 CO 0.66 0.00 -1.10 0.00 0.37 0.00 0.00 175.52 175.45 3ib2 h ALA 465 N -1.37 0.26 0.00 6.16 0.00 -1.90 -1.14 119.26 121.27 3ib2 h ALA 465 Ca -0.06 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 3ib2 h ALA 465 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ib2 h ALA 465 CO 0.04 1.15 -0.08 0.78 0.00 0.00 0.00 179.25 181.15 3ib2 h GLY 466 N 2.49 0.00 0.00 0.00 0.00 -1.66 -3.39 103.07 100.50 3ib2 h GLY 466 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ib2 h GLY 466 CO 0.16 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.57 3ib2 n TRP 467 N -3.13 -1.22 -0.14 5.60 -0.00 -0.80 -4.16 117.44 113.60 3ib2 n TRP 467 Ca 0.03 0.22 -0.04 0.00 -0.00 0.00 0.00 57.50 57.71 3ib2 n TRP 467 Cb 0.52 0.68 0.04 0.00 -0.00 0.00 0.00 31.31 32.56 3ib2 n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 3ib2 h ASN 468 N 0.00 0.12 0.33 5.87 2.35 -0.81 -1.37 115.58 122.06 3ib2 h ASN 468 Ca 0.00 0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3ib2 h ASN 468 Cb 0.00 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3ib2 h ASN 468 CO 0.00 0.10 -0.16 0.40 -1.65 0.00 0.00 177.43 176.12 3ib2 h ILE 469 N 0.29 0.38 -0.35 2.81 1.08 -1.43 -1.93 117.51 118.36 3ib2 h ILE 469 Ca 0.21 -0.76 -0.08 0.00 -0.39 0.00 0.00 64.86 63.83 3ib2 h ILE 469 Cb 0.22 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 3ib2 h ILE 469 CO -0.23 0.09 -0.13 1.55 -0.69 0.00 0.00 178.15 178.74 3ib2 h PRO 470 N -1.00 0.62 0.00 2.37 0.13 -1.74 -2.15 132.00 130.23 3ib2 h PRO 470 Ca -0.04 -0.20 -0.16 0.00 -0.87 0.00 0.00 66.00 64.72 3ib2 h PRO 470 Cb 0.49 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3ib2 h PRO 470 CO 0.07 0.74 -0.78 0.52 -0.23 0.00 0.00 178.00 178.32 3ib2 h MET 471 N 0.57 0.00 -0.28 0.86 2.86 -1.36 -2.14 114.93 115.44 3ib2 h MET 471 Ca 0.10 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3ib2 h MET 471 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3ib2 h MET 471 CO 0.04 0.78 0.06 0.78 1.06 0.00 0.00 176.91 179.63 3ib2 h GLY 472 N 2.35 0.49 0.62 8.32 0.00 -1.17 0.47 103.07 114.14 3ib2 h GLY 472 Ca -0.01 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.04 3ib2 h GLY 472 CO 0.10 0.29 -0.08 1.41 0.00 0.00 0.00 176.54 178.26 3ib2 h LEU 473 N 0.28 -0.27 -0.62 3.11 3.38 -1.35 -0.95 115.31 118.90 3ib2 h LEU 473 Ca 0.09 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 3ib2 h LEU 473 Cb 0.30 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3ib2 h LEU 473 CO 0.00 -0.11 -0.37 0.40 0.09 0.00 0.00 178.44 178.45 3ib2 h ILE 474 N -0.09 1.29 0.12 1.22 2.04 -1.26 0.01 117.51 120.85 3ib2 h ILE 474 Ca 0.08 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 3ib2 h ILE 474 Cb 0.20 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3ib2 h ILE 474 CO -0.18 0.49 -0.06 0.58 0.00 0.00 0.00 178.15 178.99 3ib2 h VAL 475 N 0.57 0.92 -0.49 1.67 2.07 -0.89 0.45 116.25 120.55 3ib2 h VAL 475 Ca 0.05 -0.13 0.09 0.00 0.82 0.00 0.00 66.70 67.54 3ib2 h VAL 475 Cb 0.89 1.00 -0.10 0.00 -1.52 0.00 0.00 31.29 31.56 3ib2 h VAL 475 CO 0.08 0.03 -0.28 0.78 0.02 0.00 0.00 177.57 178.20 3ib2 h ASN 476 N -0.22 -0.96 -0.28 0.57 4.21 -0.96 -1.50 115.58 116.45 3ib2 h ASN 476 Ca -0.02 0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.65 3ib2 h ASN 476 Cb 0.18 0.48 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 3ib2 h ASN 476 CO 0.03 -0.29 0.00 1.56 -1.29 0.00 0.00 177.43 177.45 3ib2 h GLN 477 N -0.17 0.48 0.00 0.81 4.20 -0.82 -2.58 115.11 117.04 3ib2 h GLN 477 Ca 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3ib2 h GLN 477 Cb 0.51 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3ib2 h GLN 477 CO -0.58 0.64 0.00 0.25 -0.67 0.00 0.00 178.83 178.46 3ib2 n THR 478 N -4.60 0.02 -3.85 -0.54 -2.24 0.13 -4.88 114.28 98.32 3ib2 n THR 478 Ca -0.03 0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.47 3ib2 n THR 478 Cb 0.25 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.88 3ib2 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ib2 n GLY 479 N 0.90 -0.43 3.07 3.38 0.00 -0.58 -4.96 105.19 106.58 3ib2 n GLY 479 Ca 0.20 0.05 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 3ib2 n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ib2 s SER 480 N -2.82 1.22 0.00 1.61 0.15 -1.14 -5.04 113.70 107.68 3ib2 s SER 480 Ca 0.56 -0.36 0.26 0.00 0.70 0.00 0.00 55.95 57.12 3ib2 s SER 480 Cb -0.33 -0.08 1.04 0.00 -1.71 0.00 0.00 66.02 64.95 3ib2 s SER 480 CO 0.69 0.01 1.73 0.00 1.20 0.00 0.00 173.24 176.87 3ib2 n ALA 482 N 0.10 6.85 0.29 0.00 0.00 -1.26 -4.61 120.51 121.89 3ib2 n ALA 482 Ca 0.19 -3.48 0.18 0.00 0.00 0.00 0.00 53.44 50.32 3ib2 n ALA 482 Cb 0.32 -2.71 0.98 0.00 0.00 0.00 0.00 19.45 18.04 3ib2 n ALA 482 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ib2 h PHE 483 N 4.15 0.00 0.00 0.00 -0.00 -1.96 -1.46 116.94 117.67 3ib2 h PHE 483 Ca 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.59 3ib2 h PHE 483 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.48 3ib2 h PHE 483 CO 1.66 0.00 0.00 -0.40 -0.00 0.00 0.00 178.31 179.57 3ib2 n ASP 484 N -3.58 0.00 0.00 -0.68 5.75 -1.26 -2.79 116.55 113.99 3ib2 n ASP 484 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3ib2 n ASP 484 Cb 0.14 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3ib2 n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ib2 n GLU 485 N -1.21 1.51 -0.07 0.11 1.02 -0.55 -4.77 120.64 116.68 3ib2 n GLU 485 Ca 0.05 -1.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.07 3ib2 n GLU 485 Cb 0.07 -0.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.60 3ib2 n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3ib2 h PHE 486 N 0.00 0.00 -3.64 -0.32 3.57 -1.57 -3.46 116.94 111.52 3ib2 h PHE 486 Ca 0.00 0.00 -0.50 0.00 3.53 0.00 0.00 57.97 61.00 3ib2 h PHE 486 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 3ib2 h PHE 486 CO 0.00 0.85 0.09 -0.06 -2.23 0.00 0.00 178.31 176.96 3ib2 s PHE 487 N -2.12 3.47 0.11 0.41 0.08 -1.26 -1.19 117.98 117.49 3ib2 s PHE 487 Ca -0.17 1.00 -0.07 0.00 0.12 0.00 0.00 56.93 57.80 3ib2 s PHE 487 Cb -0.01 -2.40 -0.13 0.00 -0.57 0.00 0.00 43.02 39.91 3ib2 s PHE 487 CO 0.53 -0.07 1.27 0.66 -0.10 0.00 0.00 175.22 177.51 3ib2 h SER 488 N 1.30 0.66 -4.60 1.36 4.64 -1.25 -3.45 113.55 112.21 3ib2 h SER 488 Ca -0.47 -0.52 -0.10 0.00 -0.47 0.00 0.00 61.79 60.22 3ib2 h SER 488 Cb 1.19 -0.20 -0.21 0.00 -0.31 0.00 0.00 62.40 62.87 3ib2 h SER 488 CO 0.64 1.32 -0.14 -1.10 -0.87 0.00 0.00 176.83 176.68 3ib2 s GLN 489 N -3.31 0.70 0.06 4.77 -0.21 -1.24 -4.93 119.66 115.49 3ib2 s GLN 489 Ca -0.07 0.20 -0.04 0.00 0.02 0.00 0.00 55.36 55.47 3ib2 s GLN 489 Cb 0.08 0.33 -0.02 0.00 1.00 0.00 0.00 33.01 34.40 3ib2 s GLN 489 CO 0.88 -0.17 0.07 -1.12 -2.12 0.00 0.00 175.29 172.83 3ib2 s SER 490 N -0.73 0.29 -0.32 5.90 0.01 -0.54 -1.80 113.70 116.52 3ib2 s SER 490 Ca -0.08 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.41 3ib2 s SER 490 Cb -0.03 0.24 0.06 0.00 0.21 0.00 0.00 66.02 66.50 3ib2 s SER 490 CO 0.04 -0.60 0.03 0.00 0.41 0.00 0.00 173.24 173.13 3ib2 s ALA 492 N 1.24 2.94 0.29 0.00 0.00 0.15 -1.67 121.76 124.71 3ib2 s ALA 492 Ca -0.03 -3.30 -0.29 0.00 0.00 0.00 0.00 51.96 48.34 3ib2 s ALA 492 Cb -0.20 -1.97 -0.13 0.00 0.00 0.00 0.00 23.12 20.81 3ib2 s ALA 492 CO -0.01 -2.06 1.20 -2.30 0.00 0.00 0.00 175.76 172.59 3ib2 n PRO 493 N 2.41 1.73 0.00 0.00 -0.02 -1.26 -1.95 135.00 135.91 3ib2 n PRO 493 Ca 0.21 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3ib2 n PRO 493 Cb 0.39 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3ib2 n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ib2 n GLY 494 N 1.32 3.19 3.83 -1.23 0.00 0.51 -0.45 105.19 112.36 3ib2 n GLY 494 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3ib2 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ib2 n ALA 495 N -1.51 -1.01 -1.79 4.61 0.00 -0.82 -4.90 120.51 115.08 3ib2 n ALA 495 Ca 0.00 -1.78 -0.42 0.00 0.00 0.00 0.00 53.44 51.24 3ib2 n ALA 495 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.46 3ib2 n ALA 495 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ib2 s ASP 496 N -5.58 6.52 0.63 0.00 -1.08 -1.26 -4.86 116.67 111.04 3ib2 s ASP 496 Ca 0.72 2.53 0.39 0.00 -0.52 0.00 0.00 52.55 55.68 3ib2 s ASP 496 Cb -0.02 -2.53 2.11 0.00 -1.46 0.00 0.00 42.92 41.01 3ib2 s ASP 496 CO 0.50 -1.00 2.28 -0.65 0.52 0.00 0.00 175.17 176.82 3ib2 h PRO 497 N 10.06 0.00 0.00 4.34 0.11 -1.93 -0.03 132.00 144.55 3ib2 h PRO 497 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3ib2 h PRO 497 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3ib2 h PRO 497 CO 0.94 0.01 -0.25 0.87 -0.21 0.00 0.00 178.00 179.36 3ib2 h LYS 498 N 0.00 0.00 -7.47 1.05 1.57 -1.95 -3.44 116.57 106.33 3ib2 h LYS 498 Ca -0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 3ib2 h LYS 498 Cb 0.09 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.54 3ib2 h LYS 498 CO 0.00 0.25 0.28 -1.54 -0.57 0.00 0.00 179.45 177.87 3ib2 s SER 499 N -6.31 3.22 0.57 0.86 1.04 -0.03 -4.96 113.70 108.10 3ib2 s SER 499 Ca 0.05 0.97 0.35 0.00 0.48 0.00 0.00 55.95 57.81 3ib2 s SER 499 Cb 0.07 -1.54 1.56 0.00 0.10 0.00 0.00 66.02 66.21 3ib2 s SER 499 CO 0.70 -2.73 2.06 0.08 0.98 0.00 0.00 173.24 174.33 3ib2 h ARG 500 N -1.62 0.00 0.00 4.02 0.11 -1.90 -2.44 114.38 112.54 3ib2 h ARG 500 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3ib2 h ARG 500 Cb 1.33 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.41 3ib2 h ARG 500 CO 0.60 0.02 0.00 -0.07 0.10 0.00 0.00 179.97 180.61 3ib2 h LEU 501 N 0.00 0.00 -1.27 0.08 3.38 -1.87 -1.39 115.31 114.25 3ib2 h LEU 501 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ib2 h LEU 501 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3ib2 h LEU 501 CO 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.49 3ib2 h ALA 503 N 2.03 1.99 0.00 0.00 0.00 -1.26 -1.90 119.26 120.12 3ib2 h ALA 503 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ib2 h ALA 503 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ib2 h ALA 503 CO 0.00 -0.09 -0.41 1.28 0.00 0.00 0.00 179.25 180.03 3ib2 n LEU 504 N -4.47 0.44 -4.78 0.00 4.32 0.57 -4.94 117.00 108.15 3ib2 n LEU 504 Ca 0.07 0.14 -0.36 0.00 -0.02 0.00 0.00 56.01 55.84 3ib2 n LEU 504 Cb 0.29 -0.29 -0.02 0.00 -1.62 0.00 0.00 43.42 41.78 3ib2 n LEU 504 CO 0.35 0.07 0.78 0.00 -1.22 0.00 0.00 177.39 177.36 3ib2 n ALA 506 N -0.45 2.55 -0.04 0.00 0.00 -1.26 -4.82 120.51 116.49 3ib2 n ALA 506 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ib2 n ALA 506 Cb 0.49 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.41 3ib2 n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ib2 n GLY 507 N 1.61 -1.81 0.00 0.00 0.00 -1.26 -4.56 105.19 99.16 3ib2 n GLY 507 Ca -0.04 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3ib2 n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ib2 n ASP 508 N 0.48 0.00 -0.32 1.61 5.68 0.25 -1.79 116.55 122.46 3ib2 n ASP 508 Ca 0.00 -0.97 0.28 0.00 -0.50 0.00 0.00 54.79 53.60 3ib2 n ASP 508 Cb 0.00 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.50 3ib2 n ASP 508 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3ib2 h ASP 509 N 0.00 0.21 -0.54 -1.12 3.32 -1.89 0.13 116.42 116.53 3ib2 h ASP 509 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3ib2 h ASP 509 Cb 0.00 0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3ib2 h ASP 509 CO 0.00 -0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.14 3ib2 n GLN 510 N -5.27 2.55 -1.00 3.56 6.02 -1.26 -4.95 117.38 117.03 3ib2 n GLN 510 Ca 0.34 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 3ib2 n GLN 510 Cb 1.15 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.88 3ib2 n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ib2 n GLY 511 N 1.56 0.49 3.92 1.08 0.00 0.45 -5.03 105.19 107.66 3ib2 n GLY 511 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 3ib2 n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ib2 s LEU 512 N 0.00 3.66 -0.81 0.99 1.43 -1.26 -4.52 118.68 118.17 3ib2 s LEU 512 Ca 0.00 0.77 -0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3ib2 s LEU 512 Cb 0.00 -3.69 0.00 0.00 0.03 0.00 0.00 46.19 42.53 3ib2 s LEU 512 CO 0.00 -0.58 0.03 0.47 0.23 0.00 0.00 176.35 176.49 3ib2 n ASP 513 N -2.19 -3.30 -4.69 2.29 8.00 -1.26 -0.58 116.55 114.82 3ib2 n ASP 513 Ca -0.00 -0.02 -0.44 0.00 0.71 0.00 0.00 54.79 55.04 3ib2 n ASP 513 Cb 0.56 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.12 39.09 3ib2 n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3ib2 n LYS 514 N -1.95 2.54 -1.06 -1.24 4.81 -1.26 -1.99 118.16 118.00 3ib2 n LYS 514 Ca -0.11 0.92 -0.02 0.00 -0.87 0.00 0.00 58.31 58.23 3ib2 n LYS 514 Cb 0.58 -2.78 -0.01 0.00 0.02 0.00 0.00 35.03 32.85 3ib2 n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ib2 s VAL 516 N -1.98 3.03 -1.31 0.00 -7.23 -0.84 -0.37 120.40 111.71 3ib2 s VAL 516 Ca 0.00 1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 61.10 3ib2 s VAL 516 Cb 0.00 -3.64 0.15 0.00 0.56 0.00 0.00 36.38 33.44 3ib2 s VAL 516 CO 0.00 0.23 2.05 -0.81 -0.31 0.00 0.00 175.10 176.26 3ib2 n PRO 517 N 0.87 3.86 -4.04 4.82 -0.04 -1.26 -4.43 135.00 134.78 3ib2 n PRO 517 Ca -0.00 -3.45 -0.11 0.00 -0.04 0.00 0.00 63.50 59.89 3ib2 n PRO 517 Cb 0.43 -2.85 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 3ib2 n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ib2 s ASN 518 N 0.80 0.30 0.00 3.54 2.20 -1.26 -4.53 114.94 115.99 3ib2 s ASN 518 Ca 0.44 -1.19 0.03 0.00 -0.94 0.00 0.00 52.86 51.21 3ib2 s ASN 518 Cb 0.12 0.61 0.20 0.00 -2.00 0.00 0.00 41.25 40.19 3ib2 s ASN 518 CO -0.02 -1.21 0.93 -1.54 -2.94 0.00 0.00 177.10 172.32 3ib2 n SER 519 N -0.81 0.00 0.06 3.54 3.41 -1.26 -2.36 113.62 116.20 3ib2 n SER 519 Ca -0.01 -1.46 -0.06 0.00 -0.26 0.00 0.00 58.87 57.07 3ib2 n SER 519 Cb 0.62 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.67 3ib2 n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3ib2 h LYS 520 N 0.00 0.33 -6.28 4.33 1.57 -1.94 -3.42 116.57 111.16 3ib2 h LYS 520 Ca 0.00 -0.22 -0.55 0.00 -1.87 0.00 0.00 60.65 58.01 3ib2 h LYS 520 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3ib2 h LYS 520 CO 0.00 0.83 1.04 -2.00 -0.57 0.00 0.00 179.45 178.75 3ib2 s GLU 521 N -3.82 4.20 0.34 3.15 2.56 -1.00 -3.25 118.70 120.89 3ib2 s GLU 521 Ca -0.05 2.14 0.07 0.00 0.00 0.00 0.00 54.97 57.12 3ib2 s GLU 521 Cb 0.12 -3.90 0.74 0.00 2.00 0.00 0.00 34.13 33.09 3ib2 s GLU 521 CO 0.81 -0.80 1.89 -0.22 -0.56 0.00 0.00 175.26 176.38 3ib2 h LYS 522 N 9.16 0.75 -0.72 4.30 3.64 -1.61 -2.53 116.57 129.56 3ib2 h LYS 522 Ca -0.38 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 58.71 3ib2 h LYS 522 Cb 1.17 -0.17 -0.15 0.00 -0.41 0.00 0.00 32.23 32.68 3ib2 h LYS 522 CO 0.95 0.50 0.28 0.66 -2.27 0.00 0.00 179.45 179.57 3ib2 n TYR 523 N -4.54 2.35 -2.67 1.91 4.01 -1.26 -4.46 117.16 112.50 3ib2 n TYR 523 Ca 0.15 -1.31 -0.37 0.00 -0.16 0.00 0.00 57.90 56.22 3ib2 n TYR 523 Cb 0.37 -0.69 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 3ib2 n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3ib2 s TYR 524 N -3.05 3.48 0.00 -0.72 5.04 -0.96 -2.64 117.35 118.50 3ib2 s TYR 524 Ca 0.54 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.88 3ib2 s TYR 524 Cb 0.44 -3.02 0.00 0.00 0.35 0.00 0.00 41.96 39.72 3ib2 s TYR 524 CO 0.12 -0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.53 3ib2 n GLY 525 N 0.41 -1.41 0.22 8.97 0.00 0.21 -1.79 105.19 111.80 3ib2 n GLY 525 Ca 0.03 -1.54 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 3ib2 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3ib2 h TYR 526 N 0.00 -0.43 -0.45 1.61 0.05 -1.93 -1.46 116.97 114.36 3ib2 h TYR 526 Ca 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 3ib2 h TYR 526 Cb 0.00 0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3ib2 h TYR 526 CO 0.00 -0.25 -0.07 1.15 -1.05 0.00 0.00 178.16 177.94 3ib2 h THR 527 N -0.12 1.27 -0.39 -2.88 2.02 -1.89 -2.45 112.91 108.47 3ib2 h THR 527 Ca 0.17 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.13 3ib2 h THR 527 Cb 0.38 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 3ib2 h THR 527 CO -0.42 0.40 0.06 1.23 0.37 0.00 0.00 175.52 177.17 3ib2 h GLY 528 N 0.69 0.70 1.15 2.16 0.00 -1.21 -1.02 103.07 105.54 3ib2 h GLY 528 Ca 0.12 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3ib2 h GLY 528 CO 0.04 0.43 0.15 0.00 0.00 0.00 0.00 176.54 177.16 3ib2 h ALA 529 N 0.92 1.01 -0.33 3.60 0.00 -1.02 0.13 119.26 123.56 3ib2 h ALA 529 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3ib2 h ALA 529 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ib2 h ALA 529 CO 0.01 0.64 -0.13 0.35 0.00 0.00 0.00 179.25 180.12 3ib2 h PHE 530 N 1.00 0.63 -0.61 0.00 3.57 -1.34 -2.65 116.94 117.54 3ib2 h PHE 530 Ca 0.21 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 3ib2 h PHE 530 Cb 0.37 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 3ib2 h PHE 530 CO 0.03 0.69 0.28 -0.09 -2.23 0.00 0.00 178.31 176.98 3ib2 h ARG 531 N 0.53 0.89 -0.99 1.11 2.43 -0.82 0.84 114.38 118.38 3ib2 h ARG 531 Ca 0.09 -0.14 0.17 0.00 -0.81 0.00 0.00 59.98 59.29 3ib2 h ARG 531 Cb 0.54 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.84 3ib2 h ARG 531 CO 0.03 0.73 0.61 0.00 -1.51 0.00 0.00 179.97 179.84 3ib2 h LEU 533 N 0.80 0.34 -1.48 0.00 5.85 -1.11 -1.41 115.31 118.29 3ib2 h LEU 533 Ca 0.53 -0.86 0.05 0.00 0.84 0.00 0.00 57.88 58.44 3ib2 h LEU 533 Cb 0.78 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3ib2 h LEU 533 CO -0.31 1.16 0.40 0.00 -0.34 0.00 0.00 178.44 179.35 3ib2 h ALA 534 N 0.18 1.75 -0.19 1.25 0.00 -0.26 0.19 119.26 122.18 3ib2 h ALA 534 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ib2 h ALA 534 Cb 1.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ib2 h ALA 534 CO 0.09 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.90 3ib2 n GLU 535 N -4.47 1.59 -2.08 0.00 1.02 -0.46 -4.92 120.64 111.32 3ib2 n GLU 535 Ca 0.08 -0.90 -0.18 0.00 -0.02 0.00 0.00 57.16 56.14 3ib2 n GLU 535 Cb 0.19 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3ib2 n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3ib2 n ASP 536 N 0.16 -5.22 -0.02 1.62 8.00 0.65 -4.91 116.55 116.84 3ib2 n ASP 536 Ca 0.13 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 3ib2 n ASP 536 Cb 0.25 -4.29 -0.10 0.00 -0.02 0.00 0.00 41.12 36.96 3ib2 n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ib2 h VAL 537 N 0.00 1.40 -1.65 2.53 2.07 -1.47 -3.46 116.25 115.66 3ib2 h VAL 537 Ca -0.41 -1.21 -0.50 0.00 0.82 0.00 0.00 66.70 65.40 3ib2 h VAL 537 Cb 1.27 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 3ib2 h VAL 537 CO 0.52 0.32 -0.42 -0.83 0.02 0.00 0.00 177.57 177.18 3ib2 s GLY 538 N -3.26 2.02 0.18 2.17 0.00 -1.02 -4.94 107.32 102.47 3ib2 s GLY 538 Ca -0.16 -1.82 0.21 0.00 0.00 0.00 0.00 44.72 42.96 3ib2 s GLY 538 CO 0.69 -1.67 1.01 -0.55 0.00 0.00 0.00 173.10 172.57 3ib2 h ASP 539 N 1.15 0.00 -3.71 1.64 3.32 -0.08 -3.43 116.42 115.31 3ib2 h ASP 539 Ca -0.43 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.44 3ib2 h ASP 539 Cb 1.26 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.54 3ib2 h ASP 539 CO 0.59 0.14 -0.48 0.54 -1.72 0.00 0.00 179.24 178.30 3ib2 s VAL 540 N -3.26 -0.01 -0.04 -1.35 0.11 -0.94 -4.47 120.40 110.45 3ib2 s VAL 540 Ca -0.01 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.13 3ib2 s VAL 540 Cb 0.09 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 3ib2 s VAL 540 CO 0.79 0.01 -0.21 0.00 -3.33 0.00 0.00 175.10 172.37 3ib2 s ALA 541 N 0.36 2.38 -0.45 1.54 0.00 -0.38 0.04 121.76 125.26 3ib2 s ALA 541 Ca -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 3ib2 s ALA 541 Cb -0.03 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.44 3ib2 s ALA 541 CO -0.02 0.52 0.28 -0.06 0.00 0.00 0.00 175.76 176.48 3ib2 s PHE 542 N -0.58 3.51 0.00 0.00 0.08 -0.74 -0.83 117.98 119.43 3ib2 s PHE 542 Ca 0.08 -2.18 0.00 0.00 0.12 0.00 0.00 56.93 54.96 3ib2 s PHE 542 Cb -0.11 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 3ib2 s PHE 542 CO 0.00 -0.98 0.00 1.33 -0.10 0.00 0.00 175.22 175.47 3ib2 n VAL 543 N 4.70 0.00 -4.48 -0.44 0.24 -1.07 -3.70 118.33 113.58 3ib2 n VAL 543 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.02 3ib2 n VAL 543 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 3ib2 n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3ib2 s LYS 544 N 1.47 1.69 0.31 7.34 -2.85 -1.26 -1.45 119.74 124.98 3ib2 s LYS 544 Ca 0.00 -1.82 0.08 0.00 -1.00 0.00 0.00 55.97 53.23 3ib2 s LYS 544 Cb 0.00 -1.60 0.82 0.00 -2.06 0.00 0.00 37.83 34.99 3ib2 s LYS 544 CO 0.00 0.20 1.75 -0.97 0.10 0.00 0.00 175.35 176.43 3ib2 h ASN 545 N 2.20 0.72 -0.15 0.03 -1.24 -0.95 -2.70 115.58 113.48 3ib2 h ASN 545 Ca -0.41 0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.67 3ib2 h ASN 545 Cb 1.25 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.29 3ib2 h ASN 545 CO 0.65 0.17 -0.05 0.44 -1.29 0.00 0.00 177.43 177.35 3ib2 h ASP 546 N 0.65 0.42 -0.47 1.15 5.19 -1.97 -3.10 116.42 118.29 3ib2 h ASP 546 Ca 0.62 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.96 3ib2 h ASP 546 Cb 1.09 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 3ib2 h ASP 546 CO -0.44 0.53 0.29 0.74 -3.12 0.00 0.00 179.24 177.24 3ib2 h THR 547 N 0.43 1.07 -0.68 0.35 2.02 -1.89 -0.71 112.91 113.51 3ib2 h THR 547 Ca 0.09 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3ib2 h THR 547 Cb 0.36 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3ib2 h THR 547 CO 0.02 0.11 0.43 0.58 0.37 0.00 0.00 175.52 177.02 3ib2 h VAL 548 N 0.59 1.11 -0.62 3.16 2.07 -1.70 -2.67 116.25 118.18 3ib2 h VAL 548 Ca 0.18 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 3ib2 h VAL 548 Cb -0.01 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3ib2 h VAL 548 CO -0.07 0.15 0.02 -0.50 0.02 0.00 0.00 177.57 177.19 3ib2 h TRP 549 N 0.84 1.17 0.00 1.57 4.06 -1.51 -3.10 115.95 118.98 3ib2 h TRP 549 Ca 0.27 -0.20 -0.05 0.00 2.06 0.00 0.00 58.89 60.97 3ib2 h TRP 549 Cb -0.01 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 3ib2 h TRP 549 CO -0.04 1.02 -0.23 0.93 -3.56 0.00 0.00 178.44 176.56 3ib2 h GLU 550 N 0.99 0.00 -0.26 0.49 5.08 -0.99 -3.18 114.58 116.70 3ib2 h GLU 550 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3ib2 h GLU 550 Cb 0.54 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3ib2 h GLU 550 CO 0.03 0.23 -0.05 0.09 -1.00 0.00 0.00 179.01 178.31 3ib2 n ASN 551 N -3.35 3.03 -4.23 1.42 3.02 -1.02 -3.16 115.26 110.96 3ib2 n ASN 551 Ca 0.00 -3.37 -0.13 0.00 -0.03 0.00 0.00 54.58 51.05 3ib2 n ASN 551 Cb 0.45 -0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 38.96 3ib2 n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3ib2 s THR 552 N -3.02 0.62 -1.39 3.41 -4.23 -1.18 -4.75 115.64 105.09 3ib2 s THR 552 Ca 0.42 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 3ib2 s THR 552 Cb 0.36 -2.13 0.04 0.00 1.34 0.00 0.00 72.50 72.11 3ib2 s THR 552 CO 0.04 -0.46 0.49 0.59 -0.54 0.00 0.00 174.62 174.73 3ib2 n ASN 553 N -0.23 -4.82 0.00 3.99 4.13 0.59 -1.79 115.26 117.12 3ib2 n ASN 553 Ca -0.06 -0.28 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3ib2 n ASN 553 Cb 0.63 -3.95 0.00 0.00 -1.54 0.00 0.00 39.78 34.93 3ib2 n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ib2 n GLY 554 N -1.29 0.80 0.25 7.41 0.00 -1.26 -4.96 105.19 106.14 3ib2 n GLY 554 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3ib2 n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ib2 h GLU 555 N 3.75 0.00 0.00 1.61 4.39 -1.57 -3.38 114.58 119.38 3ib2 h GLU 555 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ib2 h GLU 555 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ib2 h GLU 555 CO 0.00 0.11 0.00 0.45 -1.16 0.00 0.00 179.01 178.41 3ib2 n SER 556 N -3.26 0.00 0.00 1.42 2.88 -1.19 -4.87 113.62 108.59 3ib2 n SER 556 Ca 0.00 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 3ib2 n SER 556 Cb 0.36 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 3ib2 n SER 556 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3ib2 n THR 557 N -2.21 0.00 -1.66 2.46 -2.24 -1.26 -4.99 114.28 104.38 3ib2 n THR 557 Ca 0.00 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.34 3ib2 n THR 557 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3ib2 n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ib2 n ALA 558 N -1.28 0.78 -0.30 6.98 0.00 -1.26 -4.72 120.51 120.72 3ib2 n ALA 558 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.93 3ib2 n ALA 558 Cb 0.00 -2.19 0.27 0.00 0.00 0.00 0.00 19.45 17.52 3ib2 n ALA 558 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3ib2 h ASP 559 N 2.89 0.38 1.13 0.00 -0.00 -2.01 0.17 116.42 118.97 3ib2 h ASP 559 Ca -0.44 0.13 -0.03 0.00 -0.00 0.00 0.00 57.03 56.69 3ib2 h ASP 559 Cb 1.30 0.09 -0.00 0.00 -0.00 0.00 0.00 39.33 40.72 3ib2 h ASP 559 CO 0.66 0.08 -0.13 4.11 -0.00 0.00 0.00 179.24 183.95 3ib2 h TRP 560 N 0.47 0.00 0.00 4.15 5.08 -2.03 -3.37 115.95 120.25 3ib2 h TRP 560 Ca 0.51 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.48 3ib2 h TRP 560 Cb 0.88 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.04 3ib2 h TRP 560 CO -0.13 0.13 -1.55 0.00 -1.28 0.00 0.00 178.44 175.62 3ib2 n ALA 561 N -2.16 2.42 -0.14 0.11 0.00 -0.62 -4.67 120.51 115.46 3ib2 n ALA 561 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 53.44 53.15 3ib2 n ALA 561 Cb 0.42 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.48 3ib2 n ALA 561 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3ib2 n LYS 562 N -1.92 -0.09 -0.51 0.00 5.02 0.48 -1.70 118.16 119.43 3ib2 n LYS 562 Ca -0.03 0.54 0.10 0.00 -2.02 0.00 0.00 58.31 56.91 3ib2 n LYS 562 Cb 0.32 -0.81 0.34 0.00 -0.02 0.00 0.00 35.03 34.87 3ib2 n LYS 562 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ib2 n ASN 563 N -4.51 4.42 -4.75 4.39 3.02 -1.26 -4.47 115.26 112.09 3ib2 n ASN 563 Ca 0.03 -2.27 -0.40 0.00 -0.03 0.00 0.00 54.58 51.91 3ib2 n ASN 563 Cb 0.14 -0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 38.72 3ib2 n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ib2 s LEU 564 N -1.51 4.50 -0.11 3.41 1.43 -0.69 -4.98 118.68 120.74 3ib2 s LEU 564 Ca 0.50 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.18 3ib2 s LEU 564 Cb 0.30 -3.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 3ib2 s LEU 564 CO 0.28 0.07 -0.19 -0.75 0.23 0.00 0.00 176.35 175.99 3ib2 s LYS 565 N -0.41 3.11 0.25 1.70 2.36 -1.26 -0.30 119.74 125.18 3ib2 s LYS 565 Ca 0.39 -0.78 -0.06 0.00 -2.55 0.00 0.00 55.97 52.96 3ib2 s LYS 565 Cb -0.22 -2.44 0.46 0.00 -1.05 0.00 0.00 37.83 34.59 3ib2 s LYS 565 CO 0.25 0.25 1.65 0.00 1.55 0.00 0.00 175.35 179.04 3ib2 h ARG 566 N 6.54 0.13 0.00 4.03 3.08 -1.92 -0.08 114.38 126.17 3ib2 h ARG 566 Ca -0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3ib2 h ARG 566 Cb 1.21 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3ib2 h ARG 566 CO 0.51 0.09 0.02 0.39 -1.07 0.00 0.00 179.97 179.91 3ib2 n GLU 567 N -5.30 0.00 0.00 0.04 -0.58 -1.26 -2.17 120.64 111.37 3ib2 n GLU 567 Ca 0.14 0.38 0.14 0.00 -0.42 0.00 0.00 57.16 57.40 3ib2 n GLU 567 Cb 0.49 -1.52 0.61 0.00 -0.57 0.00 0.00 31.44 30.44 3ib2 n GLU 567 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3ib2 n ASP 568 N -1.37 0.99 -4.35 1.62 8.00 -0.04 -4.85 116.55 116.54 3ib2 n ASP 568 Ca 0.00 -1.20 -0.25 0.00 0.71 0.00 0.00 54.79 54.05 3ib2 n ASP 568 Cb 0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.00 3ib2 n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ib2 s PHE 569 N -2.12 2.04 0.03 1.24 0.08 -0.92 -0.15 117.98 118.17 3ib2 s PHE 569 Ca 0.37 -0.41 0.05 0.00 0.12 0.00 0.00 56.93 57.07 3ib2 s PHE 569 Cb 0.21 -1.07 -0.02 0.00 -0.57 0.00 0.00 43.02 41.57 3ib2 s PHE 569 CO 0.38 0.34 -0.15 1.03 -0.10 0.00 0.00 175.22 176.72 3ib2 s ARG 570 N -2.33 1.01 0.19 0.44 1.81 -0.34 -4.40 118.95 115.33 3ib2 s ARG 570 Ca 0.14 -0.74 -0.22 0.00 -1.72 0.00 0.00 55.73 53.19 3ib2 s ARG 570 Cb -0.09 -1.02 -0.08 0.00 -0.45 0.00 0.00 34.95 33.31 3ib2 s ARG 570 CO 0.07 0.26 0.74 -0.51 -0.68 0.00 0.00 175.30 175.17 3ib2 s LEU 571 N -1.04 4.44 -0.25 2.53 1.43 0.14 -0.69 118.68 125.25 3ib2 s LEU 571 Ca 0.03 1.50 -0.15 0.00 -1.03 0.00 0.00 54.13 54.48 3ib2 s LEU 571 Cb -0.08 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 3ib2 s LEU 571 CO 0.01 0.11 0.37 -0.76 0.23 0.00 0.00 176.35 176.31 3ib2 s LEU 572 N -1.62 4.07 0.22 1.79 1.43 0.09 -1.24 118.68 123.42 3ib2 s LEU 572 Ca 0.40 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.81 3ib2 s LEU 572 Cb -0.19 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 3ib2 s LEU 572 CO 0.23 -0.14 0.44 0.00 0.23 0.00 0.00 176.35 177.10 3ib2 h LEU 574 N 1.99 0.00 -0.12 0.00 3.38 -1.88 -2.65 115.31 116.03 3ib2 h LEU 574 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3ib2 h LEU 574 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3ib2 h LEU 574 CO 0.68 0.03 0.00 -0.90 0.09 0.00 0.00 178.44 178.34 3ib2 n ASP 575 N -3.60 0.17 0.00 -0.43 5.68 -1.26 -4.87 116.55 112.24 3ib2 n ASP 575 Ca -0.03 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.28 3ib2 n ASP 575 Cb 0.13 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3ib2 n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ib2 n GLY 576 N 0.56 0.58 3.47 6.12 0.00 -1.00 -5.07 105.19 109.84 3ib2 n GLY 576 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3ib2 n GLY 576 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ib2 n THR 577 N -2.00 0.00 -3.93 2.61 -2.24 -1.25 -4.66 114.28 102.81 3ib2 n THR 577 Ca 0.00 -1.48 -0.19 0.00 -2.27 0.00 0.00 64.05 60.12 3ib2 n THR 577 Cb 0.00 -0.86 -0.17 0.00 -2.10 0.00 0.00 70.33 67.21 3ib2 n THR 577 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ib2 s ARG 578 N -4.70 0.41 0.13 -0.78 0.52 -1.26 -2.04 118.95 111.22 3ib2 s ARG 578 Ca 0.58 0.07 0.07 0.00 -0.52 0.00 0.00 55.73 55.93 3ib2 s ARG 578 Cb -0.04 -0.62 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 3ib2 s ARG 578 CO 0.38 -0.16 -0.17 0.15 0.02 0.00 0.00 175.30 175.52 3ib2 s LYS 579 N 1.23 1.10 1.00 3.54 1.02 -0.37 -4.95 119.74 122.31 3ib2 s LYS 579 Ca -0.07 -1.24 -0.13 0.00 0.02 0.00 0.00 55.97 54.55 3ib2 s LYS 579 Cb -0.13 -1.13 0.12 0.00 -0.52 0.00 0.00 37.83 36.16 3ib2 s LYS 579 CO -0.02 0.24 0.65 -2.30 -0.92 0.00 0.00 175.35 173.00 3ib2 n PRO 580 N 0.65 -0.90 0.00 -1.68 -0.02 -1.26 -0.68 135.00 131.12 3ib2 n PRO 580 Ca -0.16 -0.22 0.15 0.00 -2.02 0.00 0.00 63.50 61.25 3ib2 n PRO 580 Cb 0.56 -2.03 0.74 0.00 -0.02 0.00 0.00 33.50 32.75 3ib2 n PRO 580 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3ib2 n VAL 581 N -4.15 0.00 0.95 -1.45 0.24 -1.26 -2.03 118.33 110.63 3ib2 n VAL 581 Ca 0.07 -0.02 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 3ib2 n VAL 581 Cb 0.55 -0.36 0.56 0.00 -1.47 0.00 0.00 33.84 33.12 3ib2 n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ib2 n THR 582 N -1.11 0.25 -1.11 3.34 -2.24 -1.26 -3.99 114.28 108.16 3ib2 n THR 582 Ca 0.16 0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.96 3ib2 n THR 582 Cb 0.23 -0.63 0.28 0.00 -2.10 0.00 0.00 70.33 68.11 3ib2 n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ib2 n GLU 583 N -1.45 3.28 -0.08 -0.78 4.71 -0.86 -4.74 120.64 120.72 3ib2 n GLU 583 Ca 0.08 -3.07 -0.01 0.00 -0.01 0.00 0.00 57.16 54.15 3ib2 n GLU 583 Cb 0.27 -2.11 0.25 0.00 -1.01 0.00 0.00 31.44 28.85 3ib2 n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ib2 h ALA 584 N 2.23 1.34 -0.65 0.62 0.00 -1.79 -1.28 119.26 119.73 3ib2 h ALA 584 Ca 0.24 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.17 3ib2 h ALA 584 Cb 2.15 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 3ib2 h ALA 584 CO 0.64 0.48 0.93 1.96 0.00 0.00 0.00 179.25 183.26 3ib2 h GLN 585 N 0.70 0.00 0.00 0.00 4.20 -1.94 -2.71 115.11 115.37 3ib2 h GLN 585 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3ib2 h GLN 585 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3ib2 h GLN 585 CO -0.01 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.02 3ib2 n SER 586 N -3.22 0.43 -3.19 1.46 3.41 -0.56 -4.85 113.62 107.10 3ib2 n SER 586 Ca 0.14 -0.76 -0.22 0.00 -0.26 0.00 0.00 58.87 57.77 3ib2 n SER 586 Cb 1.14 0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 65.28 3ib2 n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ib2 s HIS 588 N -1.60 1.99 -0.01 0.00 -3.43 -1.23 -4.72 115.29 106.30 3ib2 s HIS 588 Ca 0.37 -0.72 0.05 0.00 -0.80 0.00 0.00 55.06 53.96 3ib2 s HIS 588 Cb 0.23 -1.17 -0.24 0.00 -1.43 0.00 0.00 32.58 29.97 3ib2 s HIS 588 CO -0.10 0.27 0.79 -0.07 -2.00 0.00 0.00 174.74 173.63 3ib2 h LEU 589 N 2.23 0.16 -7.41 5.38 3.38 -1.07 -3.43 115.31 114.54 3ib2 h LEU 589 Ca -0.40 -0.26 0.29 0.00 0.09 0.00 0.00 57.88 57.59 3ib2 h LEU 589 Cb 1.24 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.83 3ib2 h LEU 589 CO 0.68 1.23 0.75 0.00 0.09 0.00 0.00 178.44 181.19 3ib2 s ALA 590 N -2.62 -2.10 -0.20 1.53 0.00 -1.23 -5.02 121.76 112.11 3ib2 s ALA 590 Ca -0.07 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.30 3ib2 s ALA 590 Cb 0.08 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3ib2 s ALA 590 CO 0.83 -1.06 0.03 0.14 0.00 0.00 0.00 175.76 175.69 3ib2 s VAL 591 N -2.55 4.26 0.06 0.00 -7.23 -1.26 -1.26 120.40 112.41 3ib2 s VAL 591 Ca 0.15 -0.21 -0.09 0.00 -1.81 0.00 0.00 61.98 60.03 3ib2 s VAL 591 Cb 0.03 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.98 3ib2 s VAL 591 CO -0.02 0.42 0.36 0.00 -0.31 0.00 0.00 175.10 175.56 3ib2 s ALA 592 N 0.91 3.76 0.29 1.32 0.00 0.31 -4.83 121.76 123.52 3ib2 s ALA 592 Ca 0.02 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.25 3ib2 s ALA 592 Cb -0.14 -2.21 -0.10 0.00 0.00 0.00 0.00 23.12 20.68 3ib2 s ALA 592 CO 0.02 0.59 1.16 -1.25 0.00 0.00 0.00 175.76 176.28 3ib2 s PRO 593 N -1.91 4.56 0.57 0.00 0.04 -1.26 -1.21 135.00 135.79 3ib2 s PRO 593 Ca 0.32 1.91 -0.20 0.00 0.04 0.00 0.00 61.00 63.07 3ib2 s PRO 593 Cb -0.14 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 3ib2 s PRO 593 CO 0.18 0.10 1.11 0.09 0.04 0.00 0.00 177.00 178.51 3ib2 n ASN 594 N 1.17 1.48 -4.62 6.66 4.13 -1.26 -4.41 115.26 118.41 3ib2 n ASN 594 Ca -0.01 0.88 -0.41 0.00 1.68 0.00 0.00 54.58 56.72 3ib2 n ASN 594 Cb 0.44 -1.45 0.01 0.00 -1.54 0.00 0.00 39.78 37.24 3ib2 n ASN 594 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 3ib2 n HIS 595 N -1.41 1.30 -3.96 3.10 8.25 -1.26 -4.58 115.22 116.65 3ib2 n HIS 595 Ca 0.13 0.55 -0.09 0.00 -0.26 0.00 0.00 57.72 58.04 3ib2 n HIS 595 Cb 0.46 -2.25 -0.10 0.00 1.12 0.00 0.00 29.99 29.21 3ib2 n HIS 595 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ib2 s ALA 596 N -1.26 0.05 0.01 -1.41 0.00 -0.83 -1.01 121.76 117.31 3ib2 s ALA 596 Ca 0.63 -0.56 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3ib2 s ALA 596 Cb -0.55 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 22.69 3ib2 s ALA 596 CO 0.57 -0.21 1.25 0.08 0.00 0.00 0.00 175.76 177.45 3ib2 s VAL 597 N -1.81 4.01 0.13 0.00 1.01 0.16 -0.81 120.40 123.08 3ib2 s VAL 597 Ca -0.12 1.40 0.08 0.00 0.00 0.00 0.00 61.98 63.34 3ib2 s VAL 597 Cb -0.07 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ib2 s VAL 597 CO -0.02 0.05 -0.10 0.68 0.00 0.00 0.00 175.10 175.70 3ib2 s VAL 598 N 1.74 3.27 0.31 2.92 -7.23 -0.44 -0.20 120.40 120.77 3ib2 s VAL 598 Ca 0.59 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 3ib2 s VAL 598 Cb -0.29 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.10 3ib2 s VAL 598 CO 0.26 0.04 0.47 -0.94 -0.31 0.00 0.00 175.10 174.62 3ib2 s SER 599 N -2.39 0.58 0.27 4.85 1.04 -0.87 -3.20 113.70 113.98 3ib2 s SER 599 Ca 0.22 -1.33 -0.30 0.00 0.48 0.00 0.00 55.95 55.02 3ib2 s SER 599 Cb -0.10 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 3ib2 s SER 599 CO 0.14 -1.25 1.05 -0.60 0.98 0.00 0.00 173.24 173.56 3ib2 s ARG 600 N -3.31 4.71 0.28 4.02 3.52 -1.26 -1.14 118.95 125.76 3ib2 s ARG 600 Ca 0.28 1.71 0.01 0.00 -0.13 0.00 0.00 55.73 57.60 3ib2 s ARG 600 Cb -0.00 -3.22 0.63 0.00 -1.56 0.00 0.00 34.95 30.80 3ib2 s ARG 600 CO 0.17 0.31 1.72 0.66 -0.81 0.00 0.00 175.30 177.34 3ib2 h SER 601 N 3.92 0.37 0.31 -2.12 4.64 -1.92 0.62 113.55 119.37 3ib2 h SER 601 Ca -0.46 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3ib2 h SER 601 Cb 1.21 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ib2 h SER 601 CO 0.67 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.81 3ib2 n ASP 602 N -4.99 0.00 -0.12 4.97 5.75 -1.26 -2.23 116.55 118.66 3ib2 n ASP 602 Ca 0.19 0.49 0.06 0.00 -0.01 0.00 0.00 54.79 55.52 3ib2 n ASP 602 Cb 0.55 -0.49 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 3ib2 n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ib2 n ARG 603 N -1.49 2.48 -0.07 0.11 5.12 0.18 -4.81 116.66 118.19 3ib2 n ARG 603 Ca 0.02 -0.28 -0.08 0.00 -1.93 0.00 0.00 57.85 55.59 3ib2 n ARG 603 Cb 0.10 -1.13 -0.01 0.00 -1.16 0.00 0.00 32.46 30.27 3ib2 n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ib2 h ALA 604 N 1.97 0.26 -0.49 7.54 0.00 -1.11 0.19 119.26 127.61 3ib2 h ALA 604 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ib2 h ALA 604 Cb 0.36 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3ib2 h ALA 604 CO 0.00 -0.39 0.32 0.00 0.00 0.00 0.00 179.25 179.19 3ib2 h ALA 605 N 1.21 0.63 -0.16 0.00 0.00 -1.87 0.18 119.26 119.24 3ib2 h ALA 605 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3ib2 h ALA 605 Cb 0.14 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ib2 h ALA 605 CO -0.18 0.06 -0.05 1.25 0.00 0.00 0.00 179.25 180.33 3ib2 h HIS 606 N 0.66 0.36 -0.94 0.00 6.17 -1.78 -2.01 115.15 117.62 3ib2 h HIS 606 Ca 0.18 -0.08 0.08 0.00 0.71 0.00 0.00 60.37 61.26 3ib2 h HIS 606 Cb -0.07 -0.09 -0.07 0.00 2.52 0.00 0.00 27.41 29.71 3ib2 h HIS 606 CO -0.04 0.61 0.59 0.28 0.71 0.00 0.00 177.93 180.07 3ib2 h VAL 607 N 0.01 1.00 0.07 5.26 2.07 -0.79 -2.68 116.25 121.19 3ib2 h VAL 607 Ca 0.04 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3ib2 h VAL 607 Cb 0.50 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3ib2 h VAL 607 CO 0.02 0.19 -0.04 -0.08 0.02 0.00 0.00 177.57 177.68 3ib2 h GLU 608 N 1.02 -0.09 -0.37 1.57 4.81 -0.77 -2.67 114.58 118.07 3ib2 h GLU 608 Ca 0.43 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.75 3ib2 h GLU 608 Cb 0.28 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.60 3ib2 h GLU 608 CO -0.21 0.13 -0.20 0.37 -0.73 0.00 0.00 179.01 178.37 3ib2 h GLN 609 N -0.32 -0.14 -0.50 1.92 4.15 -1.22 -2.55 115.11 116.46 3ib2 h GLN 609 Ca -0.01 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.46 3ib2 h GLN 609 Cb 0.27 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 3ib2 h GLN 609 CO 0.02 -0.09 0.26 0.28 -1.93 0.00 0.00 178.83 177.37 3ib2 h VAL 610 N -0.14 0.98 -0.58 2.39 2.07 -1.45 -2.98 116.25 116.54 3ib2 h VAL 610 Ca 0.18 -0.18 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 3ib2 h VAL 610 Cb 0.42 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3ib2 h VAL 610 CO -0.46 0.09 -0.03 -0.07 0.02 0.00 0.00 177.57 177.13 3ib2 h LEU 611 N 0.52 1.03 -1.01 2.57 4.07 -1.25 0.25 115.31 121.48 3ib2 h LEU 611 Ca 0.22 -0.32 0.11 0.00 0.08 0.00 0.00 57.88 57.97 3ib2 h LEU 611 Cb 0.10 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 41.48 3ib2 h LEU 611 CO -0.14 1.10 0.64 -0.07 -1.08 0.00 0.00 178.44 178.89 3ib2 h LEU 612 N 0.93 0.94 -0.05 1.67 3.38 -1.44 -0.57 115.31 120.18 3ib2 h LEU 612 Ca 0.16 0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.92 3ib2 h LEU 612 Cb 0.59 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.20 3ib2 h LEU 612 CO 0.04 0.52 -1.06 -0.74 0.09 0.00 0.00 178.44 177.28 3ib2 h HIS 613 N 1.02 0.76 -0.23 1.13 2.76 -1.31 -2.24 115.15 117.04 3ib2 h HIS 613 Ca 0.49 -0.44 -0.06 0.00 -2.20 0.00 0.00 60.37 58.15 3ib2 h HIS 613 Cb 0.45 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3ib2 h HIS 613 CO -0.00 1.28 -0.14 1.96 -1.30 0.00 0.00 177.93 179.73 3ib2 h GLN 614 N 0.25 0.39 0.01 5.26 1.08 -0.38 -3.02 115.11 118.69 3ib2 h GLN 614 Ca -0.12 -0.10 -0.24 0.00 -1.45 0.00 0.00 58.65 56.74 3ib2 h GLN 614 Cb 1.72 -0.04 0.01 0.00 -0.05 0.00 0.00 27.48 29.11 3ib2 h GLN 614 CO 0.19 0.53 -0.99 -0.56 -0.95 0.00 0.00 178.83 177.05 3ib2 h GLN 615 N 0.36 0.50 -0.99 1.46 3.07 -1.07 -0.81 115.11 117.63 3ib2 h GLN 615 Ca 0.07 -0.55 0.36 0.00 0.09 0.00 0.00 58.65 58.62 3ib2 h GLN 615 Cb 0.46 0.16 -0.17 0.00 0.08 0.00 0.00 27.48 28.01 3ib2 h GLN 615 CO 0.03 1.18 0.48 0.00 0.09 0.00 0.00 178.83 180.61 3ib2 h ALA 616 N 0.63 1.93 0.06 0.06 0.00 -1.30 0.14 119.26 120.78 3ib2 h ALA 616 Ca -0.10 0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.81 3ib2 h ALA 616 Cb 1.63 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3ib2 h ALA 616 CO 0.18 -0.75 -1.33 -0.07 0.00 0.00 0.00 179.25 177.27 3ib2 h LEU 617 N 0.13 0.21 -1.81 0.00 3.38 -1.42 -2.79 115.31 113.01 3ib2 h LEU 617 Ca 0.76 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ib2 h LEU 617 Cb 1.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3ib2 h LEU 617 CO -0.72 1.56 0.00 0.49 0.09 0.00 0.00 178.44 179.86 3ib2 n PHE 618 N -4.10 0.09 -0.11 1.13 3.72 -0.32 0.11 117.46 117.98 3ib2 n PHE 618 Ca -0.28 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 3ib2 n PHE 618 Cb 0.81 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 3ib2 n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ib2 n GLY 619 N 0.29 -2.06 0.12 1.37 0.00 0.46 -1.20 105.19 104.16 3ib2 n GLY 619 Ca 0.05 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 3ib2 n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ib2 h LYS 620 N 0.00 -0.21 -0.59 1.61 3.64 -1.82 -2.85 116.57 116.34 3ib2 h LYS 620 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3ib2 h LYS 620 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3ib2 h LYS 620 CO 0.00 -0.10 0.00 0.09 -2.27 0.00 0.00 179.45 177.17 3ib2 n ASN 621 N -5.16 4.87 -4.76 4.20 3.02 -1.26 -4.81 115.26 111.35 3ib2 n ASN 621 Ca -0.09 -2.59 -0.37 0.00 -0.03 0.00 0.00 54.58 51.51 3ib2 n ASN 621 Cb 0.13 -0.59 0.02 0.00 -0.61 0.00 0.00 39.78 38.73 3ib2 n ASN 621 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ib2 s GLY 622 N -0.97 2.79 0.19 7.41 0.00 -1.08 -4.87 107.32 110.79 3ib2 s GLY 622 Ca 0.50 1.05 -0.03 0.00 0.00 0.00 0.00 44.72 46.24 3ib2 s GLY 622 CO 0.21 1.50 1.03 0.28 0.00 0.00 0.00 173.10 176.12 3ib2 n LYS 623 N -0.97 -0.06 -0.12 2.90 4.01 -1.05 -1.66 118.16 121.21 3ib2 n LYS 623 Ca 0.10 1.02 0.04 0.00 -0.51 0.00 0.00 58.31 58.95 3ib2 n LYS 623 Cb 0.48 -1.55 0.10 0.00 -0.51 0.00 0.00 35.03 33.55 3ib2 n LYS 623 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3ib2 n ASN 624 N -5.02 2.59 0.00 4.39 3.02 0.12 -4.87 115.26 115.49 3ib2 n ASN 624 Ca 0.12 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3ib2 n ASN 624 Cb 0.38 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3ib2 n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ib2 n PRO 626 N 0.00 0.01 -0.09 0.00 -0.02 -1.26 -1.56 135.00 132.08 3ib2 n PRO 626 Ca 0.00 0.91 -0.23 0.00 -2.02 0.00 0.00 63.50 62.16 3ib2 n PRO 626 Cb 0.00 -2.25 -0.12 0.00 -0.02 0.00 0.00 33.50 31.11 3ib2 n PRO 626 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ib2 n ASP 627 N -3.06 1.92 -0.12 2.55 8.00 -1.26 -4.80 116.55 119.79 3ib2 n ASP 627 Ca 0.22 0.36 -0.23 0.00 0.71 0.00 0.00 54.79 55.85 3ib2 n ASP 627 Cb 1.39 -0.92 -0.08 0.00 -0.02 0.00 0.00 41.12 41.48 3ib2 n ASP 627 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ib2 n LYS 628 N -4.22 0.57 -3.64 -1.24 5.02 -0.60 -5.06 118.16 108.98 3ib2 n LYS 628 Ca -0.35 0.32 -0.08 0.00 -2.02 0.00 0.00 58.31 56.18 3ib2 n LYS 628 Cb 0.78 -1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 3ib2 n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3ib2 s PHE 629 N -2.54 -0.99 -0.24 2.13 5.36 -0.58 -5.04 117.98 116.08 3ib2 s PHE 629 Ca -0.34 2.03 -0.04 0.00 -0.96 0.00 0.00 56.93 57.62 3ib2 s PHE 629 Cb 0.11 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.35 3ib2 s PHE 629 CO 0.48 -0.49 -0.02 0.00 -1.46 0.00 0.00 175.22 173.73 3ib2 h LEU 631 N 8.11 0.62 -3.16 0.00 3.38 -1.48 -3.22 115.31 119.57 3ib2 h LEU 631 Ca -0.37 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.45 3ib2 h LEU 631 Cb 1.14 -0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.70 3ib2 h LEU 631 CO 0.60 0.37 0.24 0.49 0.09 0.00 0.00 178.44 180.22 3ib2 n PHE 632 N -4.76 1.89 -4.38 1.13 3.72 -1.26 -4.73 117.46 109.05 3ib2 n PHE 632 Ca 0.12 -1.01 -0.24 0.00 -0.05 0.00 0.00 57.45 56.27 3ib2 n PHE 632 Cb 0.24 -0.58 -0.17 0.00 -0.94 0.00 0.00 39.48 38.04 3ib2 n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3ib2 s LYS 633 N -2.35 1.46 -0.35 -1.08 3.01 -1.22 -4.34 119.74 114.88 3ib2 s LYS 633 Ca 0.41 -0.31 0.13 0.00 -1.01 0.00 0.00 55.97 55.19 3ib2 s LYS 633 Cb 0.33 -1.30 0.42 0.00 -1.01 0.00 0.00 37.83 36.27 3ib2 s LYS 633 CO 0.10 -0.04 1.33 -1.13 0.51 0.00 0.00 175.35 176.12 3ib2 n SER 634 N 4.05 -0.87 -3.79 2.83 3.41 -1.26 -4.89 113.62 113.09 3ib2 n SER 634 Ca -0.22 -2.37 -0.31 0.00 -0.26 0.00 0.00 58.87 55.71 3ib2 n SER 634 Cb 0.51 0.51 0.02 0.00 -0.26 0.00 0.00 64.21 64.99 3ib2 n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ib2 n GLU 635 N -0.83 -1.02 -1.15 4.33 1.02 -1.26 -2.20 120.64 119.53 3ib2 n GLU 635 Ca -0.05 0.53 -0.06 0.00 -0.02 0.00 0.00 57.16 57.56 3ib2 n GLU 635 Cb 0.85 -3.12 -0.03 0.00 -0.02 0.00 0.00 31.44 29.13 3ib2 n GLU 635 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3ib2 n THR 636 N -3.72 0.00 0.65 2.62 5.66 -1.26 -4.79 114.28 113.45 3ib2 n THR 636 Ca -0.17 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 60.94 3ib2 n THR 636 Cb 0.61 -1.25 -0.06 0.00 -1.55 0.00 0.00 70.33 68.08 3ib2 n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3ib2 n LYS 637 N -0.11 0.23 -3.43 1.09 5.02 -0.94 -4.85 118.16 115.17 3ib2 n LYS 637 Ca -0.06 -0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3ib2 n LYS 637 Cb 0.53 -1.53 0.06 0.00 -0.02 0.00 0.00 35.03 34.07 3ib2 n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ib2 n ASN 638 N -1.81 -4.55 -4.66 4.39 3.02 -1.26 -4.94 115.26 105.45 3ib2 n ASN 638 Ca 0.02 -0.76 -0.39 0.00 -0.03 0.00 0.00 54.58 53.42 3ib2 n ASN 638 Cb 0.41 -4.72 -0.07 0.00 -0.61 0.00 0.00 39.78 34.80 3ib2 n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ib2 s LEU 639 N -5.98 4.15 0.00 3.41 1.43 -1.26 -4.38 118.68 116.05 3ib2 s LEU 639 Ca 0.29 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 3ib2 s LEU 639 Cb -0.06 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 43.43 3ib2 s LEU 639 CO 0.77 -0.19 0.00 0.18 0.23 0.00 0.00 176.35 177.33 3ib2 n LEU 640 N 4.83 0.00 -4.23 1.79 4.77 -1.26 -4.78 117.00 118.12 3ib2 n LEU 640 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 3ib2 n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 3ib2 n LEU 640 CO 0.42 0.00 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.71 3ib2 s PHE 641 N 0.00 1.23 0.27 -1.77 0.08 -1.26 -4.53 117.98 111.99 3ib2 s PHE 641 Ca 0.00 -0.72 -0.29 0.00 0.12 0.00 0.00 56.93 56.04 3ib2 s PHE 641 Cb 0.00 -0.63 -0.09 0.00 -0.57 0.00 0.00 43.02 41.72 3ib2 s PHE 641 CO 0.00 0.07 1.26 -0.80 -0.10 0.00 0.00 175.22 175.64 3ib2 s ASN 642 N -2.94 6.94 0.61 1.36 0.01 -1.26 -4.40 114.94 115.26 3ib2 s ASN 642 Ca 0.13 2.47 0.31 0.00 -0.71 0.00 0.00 52.86 55.06 3ib2 s ASN 642 Cb 0.01 -2.63 1.71 0.00 0.41 0.00 0.00 41.25 40.75 3ib2 s ASN 642 CO 0.01 -0.44 2.07 0.44 -1.51 0.00 0.00 177.10 177.67 3ib2 h ASP 643 N 4.26 0.00 -0.24 -1.22 5.19 -1.90 -1.65 116.42 120.86 3ib2 h ASP 643 Ca -0.47 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 3ib2 h ASP 643 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3ib2 h ASP 643 CO 0.70 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.36 3ib2 n ASN 644 N -3.56 1.49 -4.70 6.45 6.94 -1.26 -4.71 115.26 115.91 3ib2 n ASN 644 Ca 0.01 -1.88 -0.42 0.00 -0.02 0.00 0.00 54.58 52.27 3ib2 n ASN 644 Cb 0.35 -0.16 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 3ib2 n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3ib2 s THR 645 N -1.68 3.84 -0.09 5.53 2.01 -0.62 -4.62 115.64 120.01 3ib2 s THR 645 Ca 0.24 1.25 -0.16 0.00 0.31 0.00 0.00 61.69 63.33 3ib2 s THR 645 Cb 0.12 -3.80 -0.28 0.00 0.01 0.00 0.00 72.50 68.55 3ib2 s THR 645 CO 0.17 0.03 0.59 -0.08 -0.69 0.00 0.00 174.62 174.65 3ib2 h GLU 646 N 7.42 0.27 -3.40 4.92 4.81 -1.31 -3.47 114.58 123.82 3ib2 h GLU 646 Ca -0.38 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.37 3ib2 h GLU 646 Cb 1.19 0.17 -0.07 0.00 0.63 0.00 0.00 28.75 30.67 3ib2 h GLU 646 CO 0.87 1.22 0.04 0.00 -0.73 0.00 0.00 179.01 180.41 3ib2 s LEU 648 N -3.00 4.28 -0.05 0.00 1.43 -1.26 -0.58 118.68 119.49 3ib2 s LEU 648 Ca 0.18 0.97 0.04 0.00 -1.03 0.00 0.00 54.13 54.30 3ib2 s LEU 648 Cb -0.03 -2.88 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3ib2 s LEU 648 CO 0.09 -0.08 -0.18 0.00 0.23 0.00 0.00 176.35 176.42 3ib2 s ALA 649 N 0.83 2.49 0.84 4.21 0.00 0.11 -4.65 121.76 125.59 3ib2 s ALA 649 Ca 0.31 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3ib2 s ALA 649 Cb -0.16 -0.87 0.10 0.00 0.00 0.00 0.00 23.12 22.19 3ib2 s ALA 649 CO 0.14 0.50 1.12 0.15 0.00 0.00 0.00 175.76 177.67 3ib2 s LYS 650 N -0.51 1.62 -0.19 0.00 1.02 -0.33 -1.63 119.74 119.71 3ib2 s LYS 650 Ca 0.07 1.39 -0.15 0.00 0.02 0.00 0.00 55.97 57.30 3ib2 s LYS 650 Cb -0.11 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.29 3ib2 s LYS 650 CO 0.01 -2.16 -0.14 1.28 -0.92 0.00 0.00 175.35 173.42 3ib2 n LEU 651 N -3.85 1.88 -0.86 3.17 4.77 -1.26 -4.82 117.00 116.03 3ib2 n LEU 651 Ca 0.11 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3ib2 n LEU 651 Cb 0.52 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 3ib2 n LEU 651 CO 0.51 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3ib2 n GLY 652 N 1.47 -2.75 0.00 -0.72 0.00 -1.26 -4.82 105.19 97.11 3ib2 n GLY 652 Ca -0.24 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3ib2 n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ib2 n GLY 653 N 0.17 0.77 3.57 -0.02 0.00 -1.26 -4.57 105.19 103.85 3ib2 n GLY 653 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3ib2 n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ib2 n ARG 654 N -1.57 -0.68 -2.33 1.61 5.12 -1.26 -4.71 116.66 112.84 3ib2 n ARG 654 Ca 0.00 -0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 3ib2 n ARG 654 Cb 0.00 -0.81 -0.02 0.00 -1.16 0.00 0.00 32.46 30.47 3ib2 n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3ib2 s PRO 655 N -5.02 3.89 1.09 5.56 0.04 -1.26 -5.03 135.00 134.27 3ib2 s PRO 655 Ca 0.14 1.72 -0.14 0.00 0.04 0.00 0.00 61.00 62.76 3ib2 s PRO 655 Cb -0.08 -2.47 0.24 0.00 0.04 0.00 0.00 34.50 32.23 3ib2 s PRO 655 CO 0.45 -0.43 1.07 0.95 0.04 0.00 0.00 177.00 179.08 3ib2 s THR 656 N -1.55 1.93 0.44 1.26 -4.23 -1.26 -4.72 115.64 107.51 3ib2 s THR 656 Ca 0.61 0.00 0.21 0.00 -1.18 0.00 0.00 61.69 61.33 3ib2 s THR 656 Cb -0.27 -2.37 0.23 0.00 1.34 0.00 0.00 72.50 71.44 3ib2 s THR 656 CO 0.34 0.00 2.03 0.10 -0.54 0.00 0.00 174.62 176.55 3ib2 h TYR 657 N -2.25 0.00 -0.01 3.99 -0.00 -1.95 0.17 116.97 116.92 3ib2 h TYR 657 Ca -0.56 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 58.13 3ib2 h TYR 657 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.07 3ib2 h TYR 657 CO -0.09 0.16 -0.17 0.93 -0.00 0.00 0.00 178.16 178.98 3ib2 h GLU 658 N 0.00 0.14 -0.70 0.10 5.08 -1.96 -0.94 114.58 116.30 3ib2 h GLU 658 Ca -0.00 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3ib2 h GLU 658 Cb 0.33 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 3ib2 h GLU 658 CO 0.02 0.85 0.47 0.93 -1.00 0.00 0.00 179.01 180.27 3ib2 h GLU 659 N -0.52 0.89 -0.42 2.33 5.08 -1.89 0.11 114.58 120.16 3ib2 h GLU 659 Ca -0.02 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 3ib2 h GLU 659 Cb 0.90 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3ib2 h GLU 659 CO 0.03 0.59 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.57 3ib2 h TYR 660 N 0.91 0.95 0.00 4.33 3.20 -0.50 -3.21 116.97 122.64 3ib2 h TYR 660 Ca 0.27 -0.22 -0.21 0.00 3.14 0.00 0.00 58.73 61.71 3ib2 h TYR 660 Cb -0.04 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3ib2 h TYR 660 CO -0.00 0.97 -0.98 -0.07 -1.64 0.00 0.00 178.16 176.44 3ib2 h LEU 661 N 0.65 0.00 0.00 2.82 3.38 -0.99 -3.48 115.31 117.69 3ib2 h LEU 661 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ib2 h LEU 661 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3ib2 h LEU 661 CO 0.05 0.98 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3ib2 n GLY 662 N 1.32 -0.55 0.31 0.83 0.00 0.38 -4.34 105.19 103.14 3ib2 n GLY 662 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 3ib2 n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ib2 h THR 663 N 0.00 1.25 -0.13 2.61 2.02 -1.91 -1.16 112.91 115.60 3ib2 h THR 663 Ca 0.00 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.20 3ib2 h THR 663 Cb 0.00 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 3ib2 h THR 663 CO 0.00 0.37 -0.43 -0.08 0.37 0.00 0.00 175.52 175.75 3ib2 h GLU 664 N 0.90 -0.42 -0.35 6.66 4.81 -1.96 -2.17 114.58 122.05 3ib2 h GLU 664 Ca 0.18 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 3ib2 h GLU 664 Cb 0.43 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3ib2 h GLU 664 CO 0.01 -0.28 -0.04 -0.92 -0.73 0.00 0.00 179.01 177.06 3ib2 h TYR 665 N -0.44 0.72 -0.49 0.92 3.20 -1.69 -3.03 116.97 116.16 3ib2 h TYR 665 Ca 0.03 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 3ib2 h TYR 665 Cb 0.52 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3ib2 h TYR 665 CO -0.57 0.78 0.23 0.28 -1.64 0.00 0.00 178.16 177.24 3ib2 h VAL 666 N 0.45 1.17 0.01 1.81 2.07 -1.20 -2.70 116.25 117.85 3ib2 h VAL 666 Ca 0.10 -0.46 -0.26 0.00 0.82 0.00 0.00 66.70 66.89 3ib2 h VAL 666 Cb 0.52 0.54 0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3ib2 h VAL 666 CO 0.03 0.19 -1.04 0.71 0.02 0.00 0.00 177.57 177.47 3ib2 h THR 667 N 0.68 1.29 -0.76 2.57 1.35 -1.33 -2.32 112.91 114.39 3ib2 h THR 667 Ca 0.17 -2.28 0.17 0.00 -0.55 0.00 0.00 66.41 63.92 3ib2 h THR 667 Cb 0.07 2.40 -0.14 0.00 -1.73 0.00 0.00 68.15 68.75 3ib2 h THR 667 CO -0.02 0.70 -0.08 0.00 -0.25 0.00 0.00 175.52 175.87 3ib2 h ALA 668 N 0.43 0.67 -0.22 6.62 0.00 -1.39 -1.84 119.26 123.53 3ib2 h ALA 668 Ca -0.13 0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3ib2 h ALA 668 Cb 1.70 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 3ib2 h ALA 668 CO 0.20 -0.43 -0.35 0.82 0.00 0.00 0.00 179.25 179.50 3ib2 h ILE 669 N 0.05 1.32 -0.17 0.00 2.04 -1.39 -1.80 117.51 117.57 3ib2 h ILE 669 Ca 0.40 -1.56 0.05 0.00 1.00 0.00 0.00 64.86 64.75 3ib2 h ILE 669 Cb 0.67 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3ib2 h ILE 669 CO -0.72 0.49 -0.38 0.00 0.00 0.00 0.00 178.15 177.54 3ib2 h ALA 670 N 0.63 -0.47 -0.71 1.87 0.00 -1.28 0.55 119.26 119.84 3ib2 h ALA 670 Ca 0.02 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.07 3ib2 h ALA 670 Cb 0.94 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 3ib2 h ALA 670 CO 0.08 -0.86 0.27 -0.91 0.00 0.00 0.00 179.25 177.84 3ib2 h ASN 671 N -0.43 0.26 0.21 0.00 2.35 -1.33 -2.44 115.58 114.20 3ib2 h ASN 671 Ca 0.09 0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 3ib2 h ASN 671 Cb 0.59 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3ib2 h ASN 671 CO -0.40 0.12 -0.53 0.25 -1.65 0.00 0.00 177.43 175.21 3ib2 h LEU 672 N 0.43 0.39 -0.80 1.61 5.85 -1.02 -3.18 115.31 118.59 3ib2 h LEU 672 Ca 0.38 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3ib2 h LEU 672 Cb 0.54 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 3ib2 h LEU 672 CO -0.37 0.85 -0.37 0.11 -0.34 0.00 0.00 178.44 178.32 3ib2 h LYS 673 N 0.27 0.00 -0.90 1.25 1.79 -0.47 -2.54 116.57 115.97 3ib2 h LYS 673 Ca 0.01 0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.72 3ib2 h LYS 673 Cb 1.03 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.52 3ib2 h LYS 673 CO 0.09 0.37 0.16 0.87 -1.08 0.00 0.00 179.45 179.86 3ib2 h LYS 674 N 0.00 0.13 -0.07 3.15 1.79 -1.42 -2.40 116.57 117.74 3ib2 h LYS 674 Ca -0.00 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3ib2 h LYS 674 Cb 0.96 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3ib2 h LYS 674 CO 0.05 0.08 -0.01 0.00 -1.08 0.00 0.00 179.45 178.49 3ib2 h SER 676 N 0.01 0.75 -0.62 0.00 0.02 -1.58 -3.51 113.55 108.62 3ib2 h SER 676 Ca 0.03 -0.69 -0.35 0.00 -0.84 0.00 0.00 61.79 59.94 3ib2 h SER 676 Cb 0.04 -0.22 -0.41 0.00 0.14 0.00 0.00 62.40 61.95 3ib2 h SER 676 CO -0.06 1.32 -1.03 -0.11 -1.14 0.00 0.00 176.83 175.82 3ib2 n LEU 681 N -4.07 2.64 -3.30 5.07 7.94 -1.26 -5.12 117.00 118.90 3ib2 n LEU 681 Ca -0.09 -3.66 -0.05 0.00 -1.11 0.00 0.00 56.01 51.10 3ib2 n LEU 681 Cb 0.72 0.20 -0.06 0.00 0.53 0.00 0.00 43.42 44.81 3ib2 n LEU 681 CO 0.50 1.43 0.01 -1.83 -1.11 0.00 0.00 177.39 176.39 3ib2 s GLU 682 N -3.68 0.41 -0.21 1.96 -1.05 -1.26 -5.10 118.70 109.77 3ib2 s GLU 682 Ca 0.35 0.68 -0.28 0.00 -0.15 0.00 0.00 54.97 55.56 3ib2 s GLU 682 Cb 0.36 -0.18 0.13 0.00 -0.44 0.00 0.00 34.13 34.01 3ib2 s GLU 682 CO -0.02 -0.63 1.06 0.00 0.95 0.00 0.00 175.26 176.62 3ib2 s ALA 683 N 2.64 -1.97 -0.33 -0.84 0.00 -1.26 -5.10 121.76 114.89 3ib2 s ALA 683 Ca 0.15 1.70 -0.28 0.00 0.00 0.00 0.00 51.96 53.52 3ib2 s ALA 683 Cb -0.15 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.87 3ib2 s ALA 683 CO -0.17 -0.27 2.29 0.00 0.00 0.00 0.00 175.76 177.61 3ib2 n ALA 685 N 12.68 1.00 -0.37 0.00 0.00 -1.26 -5.00 120.51 127.56 3ib2 n ALA 685 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3ib2 n ALA 685 Cb 0.44 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.22 3ib2 n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69