#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h4i n THR 343 N 0.00 0.00 -4.38 -0.72 -1.04 -1.26 -4.72 114.28 102.16 2h4i n THR 343 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 2h4i n THR 343 Cb 0.00 -0.43 -0.14 0.00 -1.82 0.00 0.00 70.33 67.94 2h4i n THR 343 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2h4i s ARG 344 N -1.59 3.40 -0.08 -2.82 3.00 -1.26 -4.92 118.95 114.69 2h4i s ARG 344 Ca 0.00 -0.65 -0.02 0.00 -1.00 0.00 0.00 55.73 54.06 2h4i s ARG 344 Cb 0.00 -2.80 -0.03 0.00 0.00 0.00 0.00 34.95 32.11 2h4i s ARG 344 CO 0.00 0.05 0.01 0.08 0.00 0.00 0.00 175.30 175.44 2h4i s VAL 345 N 0.81 4.35 -0.24 7.11 1.01 -0.40 -5.00 120.40 128.03 2h4i s VAL 345 Ca -0.03 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 2h4i s VAL 345 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2h4i s VAL 345 CO 0.01 0.58 0.03 -0.69 0.00 0.00 0.00 175.10 175.03 2h4i s VAL 346 N -0.92 3.96 0.08 2.92 1.01 -1.26 -0.57 120.40 125.63 2h4i s VAL 346 Ca 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2h4i s VAL 346 Cb -0.11 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 2h4i s VAL 346 CO 0.03 0.37 0.39 0.86 0.00 0.00 0.00 175.10 176.75 2h4i s TRP 347 N 1.54 3.57 -0.29 5.22 -0.11 0.05 0.53 118.94 129.45 2h4i s TRP 347 Ca 0.06 0.74 -0.07 0.00 1.22 0.00 0.00 56.10 58.05 2h4i s TRP 347 Cb -0.15 -2.13 0.01 0.00 -1.50 0.00 0.00 33.47 29.70 2h4i s TRP 347 CO 0.01 0.52 0.08 0.00 -4.62 0.00 0.00 176.95 172.94 2h4i s ALA 349 N 1.51 3.75 -0.40 0.00 0.00 0.67 -4.77 121.76 122.53 2h4i s ALA 349 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 2h4i s ALA 349 Cb -0.17 -2.25 0.06 0.00 0.00 0.00 0.00 23.12 20.76 2h4i s ALA 349 CO 0.02 0.54 0.23 0.08 0.00 0.00 0.00 175.76 176.64 2h4i s VAL 350 N -1.14 4.37 0.00 0.00 1.01 -1.26 -1.63 120.40 121.74 2h4i s VAL 350 Ca 0.24 -1.17 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2h4i s VAL 350 Cb -0.15 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2h4i s VAL 350 CO 0.12 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.45 2h4i n GLY 351 N 4.95 0.99 0.22 4.51 0.00 -0.50 -4.35 105.19 111.01 2h4i n GLY 351 Ca -0.11 -1.86 -0.05 0.00 0.00 0.00 0.00 46.02 44.00 2h4i n GLY 351 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2h4i h PRO 352 N 0.00 0.62 -0.50 1.61 0.11 -1.94 -2.46 132.00 129.45 2h4i h PRO 352 Ca 0.00 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 2h4i h PRO 352 Cb 0.00 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 2h4i h PRO 352 CO 0.00 0.41 0.12 0.93 -0.21 0.00 0.00 178.00 179.25 2h4i h GLU 353 N 0.64 0.80 -0.11 1.05 5.08 -1.97 -1.25 114.58 118.82 2h4i h GLU 353 Ca 0.22 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2h4i h GLU 353 Cb 0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2h4i h GLU 353 CO -0.10 0.77 -0.40 0.93 -1.00 0.00 0.00 179.01 179.22 2h4i h GLU 354 N 0.68 0.24 -0.48 2.33 5.08 -1.74 -2.33 114.58 118.36 2h4i h GLU 354 Ca 0.16 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2h4i h GLU 354 Cb 0.33 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2h4i h GLU 354 CO 0.00 0.61 -0.03 0.37 -1.00 0.00 0.00 179.01 178.95 2h4i h GLN 355 N 0.21 0.83 -0.23 2.33 4.15 -1.12 0.73 115.11 122.01 2h4i h GLN 355 Ca 0.02 -0.24 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 2h4i h GLN 355 Cb 0.79 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2h4i h GLN 355 CO 0.06 0.85 0.07 -0.22 -1.93 0.00 0.00 178.83 177.66 2h4i h LYS 356 N 0.76 0.35 -0.21 1.69 1.63 -0.78 -0.43 116.57 119.58 2h4i h LYS 356 Ca 0.14 -0.08 -0.07 0.00 -0.85 0.00 0.00 60.65 59.79 2h4i h LYS 356 Cb 0.51 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2h4i h LYS 356 CO 0.03 0.44 -0.18 -0.22 -3.45 0.00 0.00 179.45 176.07 2h4i h LYS 357 N 0.19 0.37 -0.25 1.90 3.64 -1.26 -2.76 116.57 118.39 2h4i h LYS 357 Ca 0.07 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2h4i h LYS 357 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2h4i h LYS 357 CO -0.00 0.54 -0.06 0.00 -2.27 0.00 0.00 179.45 177.66 2h4i h GLN 359 N 0.23 0.80 -0.32 0.00 1.08 -0.95 0.14 115.11 116.09 2h4i h GLN 359 Ca 0.06 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2h4i h GLN 359 Cb 0.53 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 2h4i h GLN 359 CO 0.02 0.53 -0.05 1.96 -0.95 0.00 0.00 178.83 180.35 2h4i h GLN 360 N 0.83 0.60 -0.76 1.46 4.20 -1.28 -1.50 115.11 118.66 2h4i h GLN 360 Ca 0.25 -0.22 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2h4i h GLN 360 Cb 0.00 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2h4i h GLN 360 CO -0.07 0.76 0.31 2.35 -0.67 0.00 0.00 178.83 181.52 2h4i h TRP 361 N 0.38 1.14 -0.85 2.96 7.01 -0.71 -1.81 115.95 124.09 2h4i h TRP 361 Ca 0.08 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2h4i h TRP 361 Cb 0.52 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 2h4i h TRP 361 CO 0.05 0.87 0.54 1.03 -2.79 0.00 0.00 178.44 178.13 2h4i h SER 362 N 1.09 0.99 -0.18 2.65 0.87 -0.57 -1.35 113.55 117.06 2h4i h SER 362 Ca 0.25 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2h4i h SER 362 Cb 0.20 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2h4i h SER 362 CO -0.02 0.74 -0.06 -0.61 -0.53 0.00 0.00 176.83 176.34 2h4i h GLN 363 N 1.16 0.36 0.00 2.24 4.15 -0.95 -2.11 115.11 119.95 2h4i h GLN 363 Ca 0.31 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.58 2h4i h GLN 363 Cb -0.10 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.58 2h4i h GLN 363 CO -0.06 0.64 -0.01 1.96 -1.93 0.00 0.00 178.83 179.43 2h4i h GLN 364 N 0.06 0.00 -0.01 1.69 1.08 -1.21 -2.47 115.11 114.24 2h4i h GLN 364 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2h4i h GLN 364 Cb 0.52 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2h4i h GLN 364 CO 0.02 0.01 -0.10 -1.13 -0.95 0.00 0.00 178.83 176.68 2h4i n SER 365 N -3.10 1.29 -3.16 1.46 3.41 -0.52 -4.93 113.62 108.08 2h4i n SER 365 Ca -0.00 -1.25 -0.22 0.00 -0.26 0.00 0.00 58.87 57.14 2h4i n SER 365 Cb 0.26 0.05 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 2h4i n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h4i n GLY 366 N 1.24 -0.42 2.42 5.00 0.00 -0.93 -2.38 105.19 110.12 2h4i n GLY 366 Ca 0.16 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.26 2h4i n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2h4i n GLN 367 N -4.36 -0.91 0.24 1.61 3.00 -0.80 -4.86 117.38 111.29 2h4i n GLN 367 Ca -0.03 0.61 0.12 0.00 -0.01 0.00 0.00 57.00 57.68 2h4i n GLN 367 Cb 0.57 -4.50 0.52 0.00 0.00 0.00 0.00 30.24 26.83 2h4i n GLN 367 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2h4i h ASN 368 N 0.00 0.00 -3.38 1.08 4.21 -1.70 -3.40 115.58 112.39 2h4i h ASN 368 Ca -0.12 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.83 2h4i h ASN 368 Cb 0.64 0.00 -0.34 0.00 -1.12 0.00 0.00 38.32 37.51 2h4i h ASN 368 CO 0.18 0.17 -0.83 -0.69 -1.29 0.00 0.00 177.43 174.97 2h4i s VAL 369 N -3.68 1.39 0.38 2.81 1.01 -1.26 -1.28 120.40 119.77 2h4i s VAL 369 Ca 0.01 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.45 2h4i s VAL 369 Cb 0.10 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.17 2h4i s VAL 369 CO 0.61 0.41 0.05 -0.89 0.00 0.00 0.00 175.10 175.28 2h4i s THR 370 N 0.64 2.34 0.09 3.92 2.01 0.27 -4.15 115.64 120.77 2h4i s THR 370 Ca -0.14 -1.93 0.08 0.00 0.31 0.00 0.00 61.69 60.01 2h4i s THR 370 Cb -0.16 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 2h4i s THR 370 CO 0.04 -0.10 -0.22 0.00 -0.69 0.00 0.00 174.62 173.66 2h4i s ALA 372 N -1.06 1.09 0.00 0.00 0.00 0.51 -4.90 121.76 117.40 2h4i s ALA 372 Ca 0.08 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2h4i s ALA 372 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 2h4i s ALA 372 CO 0.04 0.21 -0.16 0.99 0.00 0.00 0.00 175.76 176.83 2h4i s THR 373 N -0.77 1.28 0.05 0.00 2.01 -1.26 -0.24 115.64 116.72 2h4i s THR 373 Ca 0.01 -0.78 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 2h4i s THR 373 Cb -0.07 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 2h4i s THR 373 CO 0.01 0.29 -0.03 0.00 -0.69 0.00 0.00 174.62 174.19 2h4i s ALA 374 N -0.49 0.54 -0.36 7.40 0.00 -0.64 -4.96 121.76 123.26 2h4i s ALA 374 Ca 0.06 -1.19 0.25 0.00 0.00 0.00 0.00 51.96 51.08 2h4i s ALA 374 Cb -0.07 0.25 0.54 0.00 0.00 0.00 0.00 23.12 23.85 2h4i s ALA 374 CO -0.00 -0.34 1.68 0.77 0.00 0.00 0.00 175.76 177.87 2h4i h SER 375 N 3.22 0.00 -5.28 0.00 0.02 -1.95 -1.33 113.55 108.22 2h4i h SER 375 Ca -0.34 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.48 2h4i h SER 375 Cb 1.15 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.55 2h4i h SER 375 CO 0.64 0.00 -0.48 0.42 -1.14 0.00 0.00 176.83 176.27 2h4i s THR 376 N -3.29 0.12 0.22 -2.27 -4.23 -1.26 -4.54 115.64 100.39 2h4i s THR 376 Ca 0.06 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 2h4i s THR 376 Cb 0.06 -1.74 0.19 0.00 1.34 0.00 0.00 72.50 72.34 2h4i s THR 376 CO 0.64 -0.53 1.85 0.74 -0.54 0.00 0.00 174.62 176.78 2h4i h THR 377 N 2.77 1.25 -0.86 3.99 2.02 -1.91 -1.92 112.91 118.25 2h4i h THR 377 Ca -0.34 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2h4i h THR 377 Cb 1.20 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2h4i h THR 377 CO 0.56 0.27 0.49 0.44 0.37 0.00 0.00 175.52 177.65 2h4i h ASP 378 N 1.18 1.05 0.24 4.18 3.32 -1.96 -1.39 116.42 123.05 2h4i h ASP 378 Ca 0.30 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 2h4i h ASP 378 Cb 0.01 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 2h4i h ASP 378 CO -0.05 0.83 -0.34 0.44 -1.72 0.00 0.00 179.24 178.40 2h4i h ASP 379 N 1.19 0.15 -0.40 6.45 3.32 -1.85 -1.73 116.42 123.55 2h4i h ASP 379 Ca 0.30 -0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.20 2h4i h ASP 379 Cb -0.01 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2h4i h ASP 379 CO -0.05 0.49 -0.12 0.00 -1.72 0.00 0.00 179.24 177.84 2h4i h ILE 381 N 0.77 1.20 -0.45 0.00 1.08 -0.63 -1.75 117.51 117.72 2h4i h ILE 381 Ca 0.12 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.07 2h4i h ILE 381 Cb 0.63 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 2h4i h ILE 381 CO 0.04 0.22 0.26 0.58 -0.69 0.00 0.00 178.15 178.57 2h4i h VAL 382 N 0.87 1.15 -0.62 1.67 2.07 -0.91 -0.78 116.25 119.71 2h4i h VAL 382 Ca 0.23 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.39 2h4i h VAL 382 Cb 0.05 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2h4i h VAL 382 CO -0.04 0.16 0.41 -0.07 0.02 0.00 0.00 177.57 178.05 2h4i h LEU 383 N 0.60 0.64 -0.11 2.57 3.38 -0.90 -0.58 115.31 120.92 2h4i h LEU 383 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2h4i h LEU 383 Cb 0.03 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2h4i h LEU 383 CO -0.03 0.45 -0.08 0.58 0.09 0.00 0.00 178.44 179.45 2h4i h VAL 384 N 0.75 1.34 -0.44 1.22 2.07 -0.80 0.32 116.25 120.70 2h4i h VAL 384 Ca 0.24 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.67 2h4i h VAL 384 Cb 0.04 1.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.61 2h4i h VAL 384 CO -0.06 0.34 -0.12 -0.07 0.02 0.00 0.00 177.57 177.68 2h4i h LEU 385 N -0.13 -0.43 -1.78 2.57 3.38 -0.38 0.29 115.31 118.83 2h4i h LEU 385 Ca 0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2h4i h LEU 385 Cb 0.57 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2h4i h LEU 385 CO 0.02 -0.15 0.00 0.11 0.09 0.00 0.00 178.44 178.51 2h4i h LYS 386 N -0.01 0.00 0.00 1.13 1.57 -1.12 -3.46 116.57 114.68 2h4i h LYS 386 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2h4i h LYS 386 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2h4i h LYS 386 CO -0.46 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 178.83 2h4i n GLY 387 N -0.50 0.69 0.09 3.86 0.00 0.10 -4.94 105.19 104.49 2h4i n GLY 387 Ca -0.01 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2h4i n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h4i n GLU 388 N -2.60 0.24 -4.11 1.61 1.02 0.11 -4.83 120.64 112.08 2h4i n GLU 388 Ca 0.00 0.17 -0.09 0.00 -0.02 0.00 0.00 57.16 57.22 2h4i n GLU 388 Cb 0.00 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.57 2h4i n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h4i s ALA 389 N -3.10 0.65 -0.26 0.62 0.00 -0.87 -4.95 121.76 113.85 2h4i s ALA 389 Ca 0.10 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 2h4i s ALA 389 Cb 0.13 0.21 -0.16 0.00 0.00 0.00 0.00 23.12 23.30 2h4i s ALA 389 CO 0.62 -0.28 -0.22 -0.25 0.00 0.00 0.00 175.76 175.62 2h4i n ASP 390 N 0.25 1.97 -3.56 0.00 8.00 0.19 -4.20 116.55 119.20 2h4i n ASP 390 Ca -0.15 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.40 2h4i n ASP 390 Cb 0.60 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 41.05 2h4i n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h4i s ALA 391 N -2.51 -1.03 -0.04 2.24 0.00 -1.01 -4.21 121.76 115.20 2h4i s ALA 391 Ca -0.36 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 2h4i s ALA 391 Cb 0.11 0.80 0.11 0.00 0.00 0.00 0.00 23.12 24.14 2h4i s ALA 391 CO 0.56 -1.02 0.95 -0.48 0.00 0.00 0.00 175.76 175.78 2h4i s LEU 392 N -2.97 -0.32 -0.03 0.00 2.34 -1.16 -1.46 118.68 115.08 2h4i s LEU 392 Ca 0.13 0.00 -0.17 0.00 0.06 0.00 0.00 54.13 54.15 2h4i s LEU 392 Cb -0.06 1.90 -0.05 0.00 -0.56 0.00 0.00 46.19 47.42 2h4i s LEU 392 CO 0.09 -0.54 0.45 0.21 -1.06 0.00 0.00 176.35 175.50 2h4i s ASN 393 N -2.42 6.81 0.03 1.48 2.47 -1.26 -0.72 114.94 121.33 2h4i s ASN 393 Ca 0.06 0.96 0.03 0.00 0.42 0.00 0.00 52.86 54.33 2h4i s ASN 393 Cb -0.01 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.49 2h4i s ASN 393 CO -0.08 0.21 -0.09 -0.76 -3.72 0.00 0.00 177.10 172.66 2h4i s LEU 394 N -0.53 2.17 0.67 3.21 1.43 0.23 -4.90 118.68 120.97 2h4i s LEU 394 Ca 0.25 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 2h4i s LEU 394 Cb -0.17 -0.31 0.01 0.00 0.03 0.00 0.00 46.19 45.75 2h4i s LEU 394 CO 0.13 -0.07 1.13 -0.62 0.23 0.00 0.00 176.35 177.15 2h4i s ASP 395 N -1.10 4.94 0.43 2.29 2.15 -1.26 -0.93 116.67 123.20 2h4i s ASP 395 Ca -0.04 2.08 0.16 0.00 0.43 0.00 0.00 52.55 55.19 2h4i s ASP 395 Cb -0.07 -2.56 1.08 0.00 -0.30 0.00 0.00 42.92 41.06 2h4i s ASP 395 CO 0.01 -1.74 1.92 1.23 -0.17 0.00 0.00 175.17 176.41 2h4i h GLY 396 N 0.01 0.67 0.99 2.66 0.00 -1.81 -1.41 103.07 104.18 2h4i h GLY 396 Ca -0.47 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 46.73 2h4i h GLY 396 CO 0.53 0.05 0.57 -1.33 0.00 0.00 0.00 176.54 176.37 2h4i h GLY 397 N 0.39 1.25 1.75 4.60 0.00 -1.89 -2.30 103.07 106.87 2h4i h GLY 397 Ca 0.37 -0.42 -0.24 0.00 0.00 0.00 0.00 47.33 47.04 2h4i h GLY 397 CO -0.11 0.35 -1.17 -0.97 0.00 0.00 0.00 176.54 174.64 2h4i h TYR 398 N 1.07 0.15 -0.80 5.60 0.05 -1.44 -3.23 116.97 118.37 2h4i h TYR 398 Ca 0.35 -0.11 0.09 0.00 0.05 0.00 0.00 58.73 59.11 2h4i h TYR 398 Cb 0.06 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2h4i h TYR 398 CO -0.00 1.10 0.52 0.82 -1.05 0.00 0.00 178.16 179.55 2h4i h ILE 399 N 0.02 0.98 0.03 -2.88 1.08 -0.87 0.63 117.51 116.49 2h4i h ILE 399 Ca -0.08 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2h4i h ILE 399 Cb 1.86 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.74 2h4i h ILE 399 CO 0.15 0.14 -0.01 0.22 -0.69 0.00 0.00 178.15 177.96 2h4i h TYR 400 N 0.79 -0.03 0.38 1.37 3.20 -1.46 0.80 116.97 122.02 2h4i h TYR 400 Ca 0.36 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.23 2h4i h TYR 400 Cb 0.37 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2h4i h TYR 400 CO -0.00 0.16 -0.32 1.15 -1.64 0.00 0.00 178.16 177.50 2h4i h THR 401 N -0.22 0.33 -0.90 1.81 2.02 -1.32 -2.64 112.91 111.99 2h4i h THR 401 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 2h4i h THR 401 Cb 0.21 0.33 -0.09 0.00 -1.74 0.00 0.00 68.15 66.86 2h4i h THR 401 CO 0.01 0.00 0.51 0.00 0.37 0.00 0.00 175.52 176.41 2h4i h ALA 402 N -0.22 1.35 -0.91 6.16 0.00 -0.88 -2.61 119.26 122.15 2h4i h ALA 402 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2h4i h ALA 402 Cb 0.63 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2h4i h ALA 402 CO -0.03 0.03 0.60 0.78 0.00 0.00 0.00 179.25 180.63 2h4i h GLY 403 N 0.77 1.32 2.00 0.00 0.00 -0.49 0.10 103.07 106.77 2h4i h GLY 403 Ca 0.47 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2h4i h GLY 403 CO -0.31 0.41 0.00 0.50 0.00 0.00 0.00 176.54 177.13 2h4i h LYS 404 N 1.17 0.00 -0.57 4.80 1.57 -1.21 -0.17 116.57 122.16 2h4i h LYS 404 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2h4i h LYS 404 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2h4i h LYS 404 CO -0.11 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.77 2h4i n GLY 406 N 0.79 0.88 3.83 0.00 0.00 -0.08 -5.04 105.19 105.57 2h4i n GLY 406 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2h4i n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h4i s LEU 407 N 0.00 3.58 0.01 0.99 1.43 -0.88 -4.16 118.68 119.65 2h4i s LEU 407 Ca 0.00 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 2h4i s LEU 407 Cb 0.00 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.68 2h4i s LEU 407 CO 0.00 -0.81 -0.17 0.68 0.23 0.00 0.00 176.35 176.28 2h4i s VAL 408 N -2.55 1.36 0.28 -1.59 -7.23 0.18 -4.19 120.40 106.65 2h4i s VAL 408 Ca 0.61 -0.90 -0.30 0.00 -1.81 0.00 0.00 61.98 59.58 2h4i s VAL 408 Cb -0.12 -1.17 -0.10 0.00 0.56 0.00 0.00 36.38 35.55 2h4i s VAL 408 CO 0.33 0.25 1.43 -2.16 -0.31 0.00 0.00 175.10 174.65 2h4i s PRO 409 N -0.75 4.26 -0.06 4.82 0.04 -1.26 -2.01 135.00 140.04 2h4i s PRO 409 Ca 0.06 2.33 -0.07 0.00 0.04 0.00 0.00 61.00 63.35 2h4i s PRO 409 Cb -0.07 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2h4i s PRO 409 CO 0.00 -0.40 -0.16 0.28 0.04 0.00 0.00 177.00 176.76 2h4i n VAL 410 N 1.88 1.11 -3.93 -0.36 0.31 0.91 -4.94 118.33 113.31 2h4i n VAL 410 Ca 0.05 0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.39 2h4i n VAL 410 Cb 0.40 -1.84 -0.12 0.00 -0.91 0.00 0.00 33.84 31.38 2h4i n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2h4i s LEU 411 N -7.14 2.03 0.17 7.52 1.43 -1.24 -4.48 118.68 116.98 2h4i s LEU 411 Ca -0.15 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 52.76 2h4i s LEU 411 Cb 0.04 0.19 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 2h4i s LEU 411 CO 0.20 -0.23 -0.17 0.00 0.23 0.00 0.00 176.35 176.39 2h4i s ALA 412 N -1.02 2.73 0.50 4.21 0.00 -0.93 -0.32 121.76 126.93 2h4i s ALA 412 Ca -0.11 -1.51 -0.22 0.00 0.00 0.00 0.00 51.96 50.12 2h4i s ALA 412 Cb -0.07 -0.56 -0.06 0.00 0.00 0.00 0.00 23.12 22.43 2h4i s ALA 412 CO -0.00 0.48 1.23 -1.21 0.00 0.00 0.00 175.76 176.26 2h4i s GLU 413 N -2.62 3.49 -0.06 0.00 2.02 -0.38 0.32 118.70 121.47 2h4i s GLU 413 Ca 0.22 1.92 -0.03 0.00 0.02 0.00 0.00 54.97 57.10 2h4i s GLU 413 Cb -0.09 -2.31 0.04 0.00 0.10 0.00 0.00 34.13 31.87 2h4i s GLU 413 CO 0.12 -0.81 0.12 1.21 0.02 0.00 0.00 175.26 175.92 2h4i s ASN 414 N -1.26 0.72 0.20 -0.19 3.04 0.23 -4.78 114.94 112.89 2h4i s ASN 414 Ca 0.67 0.23 0.05 0.00 0.04 0.00 0.00 52.86 53.85 2h4i s ASN 414 Cb -0.32 0.11 -0.03 0.00 -1.54 0.00 0.00 41.25 39.47 2h4i s ASN 414 CO 0.39 -0.23 0.27 0.00 -3.04 0.00 0.00 177.10 174.49 2h4i s ARG 415 N 2.04 3.26 0.26 0.43 1.70 -1.26 0.19 118.95 125.56 2h4i s ARG 415 Ca 0.01 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.20 2h4i s ARG 415 Cb -0.12 -2.82 -0.14 0.00 -0.57 0.00 0.00 34.95 31.30 2h4i s ARG 415 CO -0.05 0.46 1.21 0.36 -1.08 0.00 0.00 175.30 176.21 2h4i n LYS 416 N -0.91 1.65 -4.12 3.89 2.85 -1.26 -4.87 118.16 115.40 2h4i n LYS 416 Ca -0.08 0.58 -0.15 0.00 -1.05 0.00 0.00 58.31 57.62 2h4i n LYS 416 Cb 0.56 -2.11 -0.11 0.00 -0.65 0.00 0.00 35.03 32.72 2h4i n LYS 416 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2h4i s SER 417 N -0.14 1.22 -0.11 -5.58 1.04 -1.26 -5.06 113.70 103.81 2h4i s SER 417 Ca 0.64 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 56.36 2h4i s SER 417 Cb -0.69 0.01 -0.07 0.00 0.10 0.00 0.00 66.02 65.36 2h4i s SER 417 CO 0.56 -0.18 0.24 0.77 0.98 0.00 0.00 173.24 175.61 2h4i h SER 418 N 4.25 -0.02 -3.99 7.02 4.64 -2.01 -3.42 113.55 120.02 2h4i h SER 418 Ca -0.38 -0.26 -0.49 0.00 -0.47 0.00 0.00 61.79 60.20 2h4i h SER 418 Cb 1.20 0.01 0.04 0.00 -0.31 0.00 0.00 62.40 63.33 2h4i h SER 418 CO 0.43 0.60 0.44 -0.75 -0.87 0.00 0.00 176.83 176.68 2h4i s LYS 419 N -1.83 3.95 -0.55 4.77 2.36 -1.26 -3.41 119.74 123.76 2h4i s LYS 419 Ca -0.05 1.62 -0.01 0.00 -2.55 0.00 0.00 55.97 54.98 2h4i s LYS 419 Cb -0.01 -2.44 -0.01 0.00 -1.05 0.00 0.00 37.83 34.32 2h4i s LYS 419 CO 0.19 -0.35 0.46 0.72 1.55 0.00 0.00 175.35 177.92 2h4i n HIS 420 N -0.34 -1.07 0.01 4.03 8.25 -1.26 -4.97 115.22 119.88 2h4i n HIS 420 Ca 0.06 0.43 0.01 0.00 -0.26 0.00 0.00 57.72 57.96 2h4i n HIS 420 Cb 0.49 -3.41 -0.10 0.00 1.12 0.00 0.00 29.99 28.09 2h4i n HIS 420 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2h4i n SER 421 N -2.08 0.60 0.03 0.41 3.41 -1.22 -4.48 113.62 110.29 2h4i n SER 421 Ca -0.11 0.26 -0.18 0.00 -0.26 0.00 0.00 58.87 58.58 2h4i n SER 421 Cb 0.57 0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 65.01 2h4i n SER 421 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2h4i h SER 422 N 0.00 0.83 -4.06 4.04 4.64 -1.93 -3.46 113.55 113.61 2h4i h SER 422 Ca -0.19 -0.63 -0.48 0.00 -0.47 0.00 0.00 61.79 60.02 2h4i h SER 422 Cb 1.58 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 63.43 2h4i h SER 422 CO 0.03 1.43 0.31 -0.76 -0.87 0.00 0.00 176.83 176.97 2h4i s LEU 423 N -8.11 3.67 0.76 5.97 1.43 -1.26 -5.04 118.68 116.10 2h4i s LEU 423 Ca -0.09 1.44 -0.13 0.00 -1.03 0.00 0.00 54.13 54.33 2h4i s LEU 423 Cb 0.08 -4.37 0.06 0.00 0.03 0.00 0.00 46.19 41.99 2h4i s LEU 423 CO 0.90 -0.54 1.14 -1.81 0.23 0.00 0.00 176.35 176.27 2h4i s ASP 424 N -3.13 4.22 0.15 2.29 1.11 -1.26 -4.80 116.67 115.26 2h4i s ASP 424 Ca 0.57 2.08 -0.16 0.00 0.18 0.00 0.00 52.55 55.22 2h4i s ASP 424 Cb -0.10 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.38 2h4i s ASP 424 CO 0.32 -2.23 1.78 0.00 1.18 0.00 0.00 175.17 176.21 2h4i h VAL 426 N 0.38 0.32 -0.00 0.00 2.07 -1.92 -2.90 116.25 114.20 2h4i h VAL 426 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 2h4i h VAL 426 Cb 0.07 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2h4i h VAL 426 CO -0.11 0.00 -0.35 0.18 0.02 0.00 0.00 177.57 177.31 2h4i n LEU 427 N -3.55 0.59 -4.77 2.57 4.77 -1.09 -0.57 117.00 114.97 2h4i n LEU 427 Ca -0.02 -0.57 -0.39 0.00 -0.03 0.00 0.00 56.01 55.00 2h4i n LEU 427 Cb 0.14 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 2h4i n LEU 427 CO 0.24 0.13 0.87 -0.60 -1.33 0.00 0.00 177.39 176.71 2h4i s ARG 428 N -1.68 4.12 1.02 3.23 3.52 -0.74 -4.95 118.95 123.48 2h4i s ARG 428 Ca 0.04 1.93 -0.14 0.00 -0.13 0.00 0.00 55.73 57.43 2h4i s ARG 428 Cb 0.07 -2.78 0.20 0.00 -1.56 0.00 0.00 34.95 30.88 2h4i s ARG 428 CO 0.32 -0.29 1.12 -1.25 -0.81 0.00 0.00 175.30 174.40 2h4i s PRO 429 N -2.16 0.25 -0.03 5.12 0.04 -1.26 -4.86 135.00 132.10 2h4i s PRO 429 Ca 0.55 0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.79 2h4i s PRO 429 Cb -0.33 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2h4i s PRO 429 CO 0.42 -2.79 0.22 0.95 0.04 0.00 0.00 177.00 175.84 2h4i s THR 430 N -3.11 5.37 -0.04 1.26 -4.23 -1.26 -5.03 115.64 108.60 2h4i s THR 430 Ca 0.67 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.46 2h4i s THR 430 Cb -0.15 -3.52 -0.20 0.00 1.34 0.00 0.00 72.50 69.97 2h4i s THR 430 CO 0.56 0.45 0.78 -0.33 -0.54 0.00 0.00 174.62 175.54 2h4i h GLU 431 N 4.30 0.00 0.00 3.99 5.08 -1.94 -3.50 114.58 122.51 2h4i h GLU 431 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 2h4i h GLU 431 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2h4i h GLU 431 CO 0.64 0.51 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 2h4i n GLY 432 N 1.49 -0.31 3.66 -3.84 0.00 -1.26 -4.97 105.19 99.96 2h4i n GLY 432 Ca -0.13 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 2h4i n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h4i s TYR 433 N -3.00 2.69 -0.10 1.61 -0.85 -0.25 -4.85 117.35 112.59 2h4i s TYR 433 Ca 0.00 -0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 56.11 2h4i s TYR 433 Cb 0.00 -1.33 -0.05 0.00 0.38 0.00 0.00 41.96 40.97 2h4i s TYR 433 CO 0.00 0.54 0.40 -0.51 -1.52 0.00 0.00 175.55 174.46 2h4i s LEU 434 N -3.72 4.32 -0.22 -3.49 1.43 -1.26 0.11 118.68 115.85 2h4i s LEU 434 Ca 0.33 0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 2h4i s LEU 434 Cb -0.05 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2h4i s LEU 434 CO 0.20 0.12 0.29 0.00 0.23 0.00 0.00 176.35 177.19 2h4i s ALA 435 N 0.12 3.58 0.22 4.21 0.00 0.65 -1.51 121.76 129.03 2h4i s ALA 435 Ca 0.22 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.54 2h4i s ALA 435 Cb -0.15 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2h4i s ALA 435 CO 0.09 -0.25 -0.07 0.14 0.00 0.00 0.00 175.76 175.67 2h4i s VAL 436 N 1.20 1.37 -0.18 0.00 -7.23 -0.66 0.35 120.40 115.24 2h4i s VAL 436 Ca 0.14 -2.10 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 2h4i s VAL 436 Cb -0.14 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2h4i s VAL 436 CO 0.06 -0.45 -0.05 0.00 -0.31 0.00 0.00 175.10 174.35 2h4i s ALA 437 N -3.20 2.86 0.01 1.32 0.00 -1.26 -2.74 121.76 118.75 2h4i s ALA 437 Ca 0.25 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2h4i s ALA 437 Cb 0.03 -1.58 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2h4i s ALA 437 CO 0.08 -0.09 -0.15 0.08 0.00 0.00 0.00 175.76 175.68 2h4i s VAL 438 N 0.90 3.04 0.25 0.00 1.01 -0.17 -1.36 120.40 124.07 2h4i s VAL 438 Ca -0.01 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2h4i s VAL 438 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2h4i s VAL 438 CO 0.01 0.42 0.15 0.68 0.00 0.00 0.00 175.10 176.36 2h4i s VAL 439 N -0.89 0.19 0.04 2.92 -7.23 0.19 -1.89 120.40 113.74 2h4i s VAL 439 Ca 0.14 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.08 2h4i s VAL 439 Cb -0.11 -2.53 -0.06 0.00 0.56 0.00 0.00 36.38 34.25 2h4i s VAL 439 CO 0.05 0.00 0.72 -0.75 -0.31 0.00 0.00 175.10 174.80 2h4i s LYS 440 N -3.96 4.45 0.18 4.82 2.47 -1.26 -1.54 119.74 124.90 2h4i s LYS 440 Ca 0.38 0.98 -0.13 0.00 -1.56 0.00 0.00 55.97 55.64 2h4i s LYS 440 Cb 0.06 -3.35 0.13 0.00 -1.46 0.00 0.00 37.83 33.21 2h4i s LYS 440 CO 0.16 0.32 1.80 -0.22 0.16 0.00 0.00 175.35 177.57 2h4i h LYS 441 N 5.58 0.54 0.00 4.03 3.64 0.48 -1.69 116.57 129.14 2h4i h LYS 441 Ca -0.44 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2h4i h LYS 441 Cb 1.20 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2h4i h LYS 441 CO 0.70 0.36 0.15 0.00 -2.27 0.00 0.00 179.45 178.38 2h4i n ALA 442 N -2.31 0.79 -2.25 5.00 0.00 -1.26 -2.89 120.51 117.59 2h4i n ALA 442 Ca 0.04 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 2h4i n ALA 442 Cb 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2h4i n ALA 442 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2h4i n ASN 443 N -1.85 7.65 -4.67 0.00 2.85 -0.64 -5.00 115.26 113.60 2h4i n ASN 443 Ca -0.01 -3.32 -0.43 0.00 -0.11 0.00 0.00 54.58 50.71 2h4i n ASN 443 Cb 0.16 -1.30 -0.00 0.00 1.24 0.00 0.00 39.78 39.88 2h4i n ASN 443 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2h4i n GLU 444 N 1.24 1.92 -0.71 1.20 1.02 -1.14 -2.90 120.64 121.27 2h4i n GLU 444 Ca 0.55 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 2h4i n GLU 444 Cb 0.26 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 2h4i n GLU 444 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2h4i n GLY 445 N 0.88 0.74 3.52 0.62 0.00 -1.26 -5.03 105.19 104.66 2h4i n GLY 445 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2h4i n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2h4i s LEU 446 N 0.00 4.54 0.46 0.99 2.96 -1.14 -4.98 118.68 121.51 2h4i s LEU 446 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2h4i s LEU 446 Cb 0.00 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 2h4i s LEU 446 CO 0.00 -0.64 0.02 0.42 -1.32 0.00 0.00 176.35 174.83 2h4i s THR 447 N 2.52 1.57 0.49 3.68 -4.23 -1.26 -4.98 115.64 113.43 2h4i s THR 447 Ca 0.19 -1.99 0.16 0.00 -1.18 0.00 0.00 61.69 58.87 2h4i s THR 447 Cb -0.15 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.43 2h4i s THR 447 CO 0.16 0.00 2.09 -0.25 -0.54 0.00 0.00 174.62 176.08 2h4i h TRP 448 N 1.53 0.14 -0.16 3.99 2.91 -1.83 -2.17 115.95 120.37 2h4i h TRP 448 Ca -0.44 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.58 2h4i h TRP 448 Cb 1.28 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2h4i h TRP 448 CO 1.14 0.08 0.00 0.09 -1.03 0.00 0.00 178.44 178.72 2h4i n ASN 449 N -4.49 0.84 -2.54 2.65 3.02 -1.26 -3.69 115.26 109.79 2h4i n ASN 449 Ca 0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 2h4i n ASN 449 Cb 0.20 -0.11 0.05 0.00 -0.61 0.00 0.00 39.78 39.32 2h4i n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2h4i n SER 450 N -0.04 1.04 0.19 6.41 3.41 -0.81 -4.82 113.62 119.01 2h4i n SER 450 Ca 0.05 -2.04 0.11 0.00 -0.26 0.00 0.00 58.87 56.73 2h4i n SER 450 Cb 0.13 -0.29 0.13 0.00 -0.26 0.00 0.00 64.21 63.92 2h4i n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2h4i h LEU 451 N 2.07 0.00 -9.37 1.04 3.38 -1.63 -3.45 115.31 107.35 2h4i h LEU 451 Ca -0.20 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.14 2h4i h LEU 451 Cb 1.38 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.18 2h4i h LEU 451 CO 0.11 0.06 0.82 1.17 0.09 0.00 0.00 178.44 180.69 2h4i n LYS 452 N -3.05 1.88 -1.00 1.13 4.81 -1.26 -0.90 118.16 119.77 2h4i n LYS 452 Ca 0.03 0.68 -0.00 0.00 -0.87 0.00 0.00 58.31 58.15 2h4i n LYS 452 Cb 0.56 -2.44 -0.00 0.00 0.02 0.00 0.00 35.03 33.17 2h4i n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2h4i n ASP 453 N 4.27 -3.92 -3.44 3.14 10.43 0.58 -4.98 116.55 122.62 2h4i n ASP 453 Ca 0.20 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.41 2h4i n ASP 453 Cb 0.26 -1.44 0.09 0.00 1.84 0.00 0.00 41.12 41.87 2h4i n ASP 453 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2h4i n LYS 454 N -1.79 -0.13 -4.26 -1.24 4.76 -0.08 -3.89 118.16 111.53 2h4i n LYS 454 Ca -0.00 -1.54 -0.35 0.00 -2.87 0.00 0.00 58.31 53.55 2h4i n LYS 454 Cb 0.16 -0.54 -0.09 0.00 -1.84 0.00 0.00 35.03 32.71 2h4i n LYS 454 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2h4i s LYS 455 N -4.28 3.30 0.18 1.97 1.02 -1.26 -1.95 119.74 118.72 2h4i s LYS 455 Ca 0.42 -0.38 0.10 0.00 0.02 0.00 0.00 55.97 56.14 2h4i s LYS 455 Cb -0.02 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2h4i s LYS 455 CO 0.29 0.58 -0.21 -1.54 -0.92 0.00 0.00 175.35 173.54 2h4i s SER 456 N -0.52 3.08 -0.15 2.83 1.04 -0.72 -0.92 113.70 118.33 2h4i s SER 456 Ca 0.09 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.67 2h4i s SER 456 Cb -0.12 -0.21 0.02 0.00 0.10 0.00 0.00 66.02 65.81 2h4i s SER 456 CO 0.02 0.05 -0.17 0.00 0.98 0.00 0.00 173.24 174.12 2h4i s HIS 458 N 1.29 2.18 0.20 0.00 3.76 -0.45 -1.16 115.29 121.11 2h4i s HIS 458 Ca 0.02 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 2h4i s HIS 458 Cb -0.13 -1.31 0.21 0.00 1.11 0.00 0.00 32.58 32.45 2h4i s HIS 458 CO -0.10 0.10 1.81 1.79 -0.85 0.00 0.00 174.74 177.50 2h4i h THR 459 N 4.29 0.99 0.00 1.30 1.35 -1.72 -3.40 112.91 115.71 2h4i h THR 459 Ca -0.45 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 2h4i h THR 459 Cb 1.14 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2h4i h THR 459 CO 0.44 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.83 2h4i n ALA 460 N -2.34 0.00 -1.72 6.62 0.00 -1.26 -0.57 120.51 121.24 2h4i n ALA 460 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 2h4i n ALA 460 Cb 0.15 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.62 2h4i n ALA 460 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2h4i n VAL 461 N -0.49 2.98 -0.75 0.00 0.31 0.10 -2.65 118.33 117.84 2h4i n VAL 461 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2h4i n VAL 461 Cb 0.00 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.32 2h4i n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2h4i n ASP 462 N -0.22 0.00 -4.90 4.52 8.00 -1.26 -4.96 116.55 117.73 2h4i n ASP 462 Ca 0.08 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.30 2h4i n ASP 462 Cb 0.42 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 2h4i n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2h4i s ARG 463 N -0.08 3.63 0.00 -1.24 0.52 -1.08 -4.13 118.95 116.56 2h4i s ARG 463 Ca 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.38 2h4i s ARG 463 Cb 0.00 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.98 2h4i s ARG 463 CO 0.00 0.00 0.87 2.41 0.02 0.00 0.00 175.30 178.60 2h4i n THR 464 N -1.55 0.00 0.06 0.02 -1.04 -1.26 0.00 114.28 110.51 2h4i n THR 464 Ca -0.00 1.37 -0.09 0.00 -2.04 0.00 0.00 64.05 63.29 2h4i n THR 464 Cb 0.55 -2.29 0.05 0.00 -1.82 0.00 0.00 70.33 66.81 2h4i n THR 464 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2h4i h ALA 465 N -1.89 0.65 0.00 2.41 0.00 -1.90 -0.23 119.26 118.31 2h4i h ALA 465 Ca 0.00 -0.60 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2h4i h ALA 465 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2h4i h ALA 465 CO 0.00 0.76 -0.25 0.78 0.00 0.00 0.00 179.25 180.54 2h4i h GLY 466 N 1.36 0.00 0.00 0.00 0.00 -1.69 -3.39 103.07 99.35 2h4i h GLY 466 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2h4i h GLY 466 CO 0.12 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.53 2h4i n TRP 467 N -3.21 -0.99 -0.29 5.60 -0.00 -0.55 -4.17 117.44 113.83 2h4i n TRP 467 Ca 0.02 0.18 0.09 0.00 -0.00 0.00 0.00 57.50 57.79 2h4i n TRP 467 Cb 0.58 0.53 0.25 0.00 -0.00 0.00 0.00 31.31 32.66 2h4i n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2h4i h ASN 468 N 0.00 0.42 0.41 5.87 2.35 -0.30 0.73 115.58 125.06 2h4i h ASN 468 Ca 0.00 0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2h4i h ASN 468 Cb 0.00 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2h4i h ASN 468 CO 0.00 0.13 -0.20 0.40 -1.65 0.00 0.00 177.43 176.11 2h4i h ILE 469 N 0.52 0.15 -0.01 2.81 1.08 -1.26 -1.60 117.51 119.20 2h4i h ILE 469 Ca 0.49 -0.63 0.03 0.00 -0.39 0.00 0.00 64.86 64.35 2h4i h ILE 469 Cb 0.79 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.74 2h4i h ILE 469 CO -0.42 0.04 -0.19 1.55 -0.69 0.00 0.00 178.15 178.43 2h4i h PRO 470 N -1.10 -0.29 -0.01 2.37 0.13 -1.73 -1.67 132.00 129.69 2h4i h PRO 470 Ca -0.06 0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 2h4i h PRO 470 Cb 0.48 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 2h4i h PRO 470 CO 0.09 -0.19 -0.52 0.52 -0.23 0.00 0.00 178.00 177.66 2h4i h MET 471 N -0.30 0.04 -0.84 0.86 2.86 -1.01 -1.17 114.93 115.37 2h4i h MET 471 Ca 0.06 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 2h4i h MET 471 Cb 0.38 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 2h4i h MET 471 CO -0.19 0.55 0.38 0.78 1.06 0.00 0.00 176.91 179.50 2h4i h GLY 472 N 1.54 1.31 1.34 8.32 0.00 -1.01 0.12 103.07 114.69 2h4i h GLY 472 Ca -0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 47.33 46.44 2h4i h GLY 472 CO 0.07 0.63 -0.79 1.41 0.00 0.00 0.00 176.54 177.86 2h4i h LEU 473 N 1.20 0.77 -0.46 3.11 3.38 -1.02 -2.72 115.31 119.57 2h4i h LEU 473 Ca 0.29 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.60 2h4i h LEU 473 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2h4i h LEU 473 CO -0.03 1.30 -0.23 0.40 0.09 0.00 0.00 178.44 179.97 2h4i h ILE 474 N 0.43 1.27 -0.17 1.22 2.04 -0.95 -1.73 117.51 119.63 2h4i h ILE 474 Ca -0.05 -1.40 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 2h4i h ILE 474 Cb 1.40 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2h4i h ILE 474 CO 0.15 0.48 0.10 0.58 0.00 0.00 0.00 178.15 179.47 2h4i h VAL 475 N 0.82 1.07 -0.19 1.67 2.07 -0.80 -0.73 116.25 120.15 2h4i h VAL 475 Ca 0.10 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2h4i h VAL 475 Cb 0.82 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2h4i h VAL 475 CO 0.07 0.06 -0.01 0.78 0.02 0.00 0.00 177.57 178.50 2h4i h ASN 476 N 0.21 -0.08 1.48 0.57 2.35 -1.33 0.16 115.58 118.94 2h4i h ASN 476 Ca 0.06 0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2h4i h ASN 476 Cb 0.01 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2h4i h ASN 476 CO -0.01 -0.02 -0.22 1.56 -1.65 0.00 0.00 177.43 177.09 2h4i h GLN 477 N 0.05 0.00 0.00 0.81 4.20 -1.30 -3.20 115.11 115.67 2h4i h GLN 477 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2h4i h GLN 477 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 2h4i h GLN 477 CO -0.15 0.22 -0.71 1.15 -0.67 0.00 0.00 178.83 178.67 2h4i h THR 478 N 0.00 0.00 0.00 -0.54 2.02 -0.83 -3.47 112.91 110.09 2h4i h THR 478 Ca -0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2h4i h THR 478 Cb 1.02 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 2h4i h THR 478 CO 0.03 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.53 2h4i n GLY 479 N 1.29 0.95 3.66 2.16 0.00 0.02 -4.93 105.19 108.34 2h4i n GLY 479 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 2h4i n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2h4i s SER 480 N -2.67 4.65 0.00 1.61 0.15 -1.23 -5.02 113.70 111.20 2h4i s SER 480 Ca 0.00 -0.57 0.21 0.00 0.70 0.00 0.00 55.95 56.29 2h4i s SER 480 Cb 0.00 -0.92 -0.16 0.00 -1.71 0.00 0.00 66.02 63.24 2h4i s SER 480 CO 0.00 0.02 0.93 0.00 1.20 0.00 0.00 173.24 175.38 2h4i n ALA 482 N -1.03 3.01 0.16 0.00 0.00 -1.26 -4.41 120.51 116.98 2h4i n ALA 482 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.24 2h4i n ALA 482 Cb 0.36 -1.73 0.08 0.00 0.00 0.00 0.00 19.45 18.16 2h4i n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2h4i n PHE 483 N 2.04 0.00 0.76 0.00 -0.00 -1.26 -0.15 117.46 118.85 2h4i n PHE 483 Ca 0.06 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.64 2h4i n PHE 483 Cb 0.31 -0.17 0.34 0.00 -0.00 0.00 0.00 39.48 39.96 2h4i n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2h4i n ASP 484 N -1.17 0.55 -0.73 5.98 5.75 -1.26 -3.72 116.55 121.95 2h4i n ASP 484 Ca 0.02 0.24 0.07 0.00 -0.01 0.00 0.00 54.79 55.10 2h4i n ASP 484 Cb 0.02 -0.20 0.19 0.00 -1.03 0.00 0.00 41.12 40.10 2h4i n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2h4i n GLU 485 N -1.91 2.91 -0.04 0.11 1.02 0.79 -4.68 120.64 118.84 2h4i n GLU 485 Ca 0.05 -2.29 -0.16 0.00 -0.02 0.00 0.00 57.16 54.73 2h4i n GLU 485 Cb 0.40 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 30.24 2h4i n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2h4i h PHE 486 N 2.02 0.15 -3.20 -0.32 3.57 -1.64 -3.46 116.94 114.05 2h4i h PHE 486 Ca 0.00 -0.11 -0.58 0.00 3.53 0.00 0.00 57.97 60.82 2h4i h PHE 486 Cb 0.95 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 2h4i h PHE 486 CO 0.32 1.13 -0.27 -0.06 -2.23 0.00 0.00 178.31 177.20 2h4i s PHE 487 N -2.29 3.48 0.09 0.41 0.08 -1.26 -0.31 117.98 118.18 2h4i s PHE 487 Ca -0.18 0.64 -0.16 0.00 0.12 0.00 0.00 56.93 57.34 2h4i s PHE 487 Cb -0.01 -2.07 -0.09 0.00 -0.57 0.00 0.00 43.02 40.28 2h4i s PHE 487 CO 0.72 0.42 1.43 0.66 -0.10 0.00 0.00 175.22 178.35 2h4i h SER 488 N 2.92 0.63 -5.06 1.36 4.64 -1.50 -3.46 113.55 113.08 2h4i h SER 488 Ca -0.47 -0.44 -0.09 0.00 -0.47 0.00 0.00 61.79 60.33 2h4i h SER 488 Cb 1.17 -0.18 -0.16 0.00 -0.31 0.00 0.00 62.40 62.92 2h4i h SER 488 CO 0.71 0.93 -0.24 -1.10 -0.87 0.00 0.00 176.83 176.27 2h4i s GLN 489 N -4.49 0.84 0.34 4.77 -0.21 -1.25 -4.89 119.66 114.75 2h4i s GLN 489 Ca -0.13 -0.54 -0.12 0.00 0.02 0.00 0.00 55.36 54.59 2h4i s GLN 489 Cb 0.08 0.36 0.03 0.00 1.00 0.00 0.00 33.01 34.48 2h4i s GLN 489 CO 0.80 -0.27 0.64 -1.12 -2.12 0.00 0.00 175.29 173.21 2h4i s SER 490 N -2.15 0.22 -0.28 5.90 0.01 -0.34 -1.76 113.70 115.30 2h4i s SER 490 Ca -0.04 -1.14 -0.01 0.00 1.31 0.00 0.00 55.95 56.07 2h4i s SER 490 Cb -0.00 0.74 0.09 0.00 0.21 0.00 0.00 66.02 67.05 2h4i s SER 490 CO -0.04 -1.44 0.07 0.00 0.41 0.00 0.00 173.24 172.23 2h4i s ALA 492 N 1.62 2.53 0.08 0.00 0.00 0.36 -1.34 121.76 125.00 2h4i s ALA 492 Ca 0.06 -2.97 -0.36 0.00 0.00 0.00 0.00 51.96 48.68 2h4i s ALA 492 Cb -0.17 -1.91 -0.18 0.00 0.00 0.00 0.00 23.12 20.86 2h4i s ALA 492 CO -0.19 -2.05 1.13 -2.30 0.00 0.00 0.00 175.76 172.35 2h4i n PRO 493 N 2.86 0.59 0.00 0.00 -0.02 -1.26 -2.18 135.00 134.99 2h4i n PRO 493 Ca 0.17 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2h4i n PRO 493 Cb 0.38 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2h4i n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h4i n GLY 494 N 1.97 1.36 3.98 -1.23 0.00 -0.09 0.03 105.19 111.21 2h4i n GLY 494 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2h4i n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h4i s ALA 495 N -2.18 3.38 -0.10 4.61 0.00 -0.93 -4.93 121.76 121.60 2h4i s ALA 495 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.02 2h4i s ALA 495 Cb 0.00 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 2h4i s ALA 495 CO 0.00 -1.71 1.62 0.34 0.00 0.00 0.00 175.76 176.01 2h4i s ASP 496 N -4.79 6.61 0.50 0.00 2.15 -1.26 -4.90 116.67 114.99 2h4i s ASP 496 Ca 0.68 2.04 0.32 0.00 0.43 0.00 0.00 52.55 56.02 2h4i s ASP 496 Cb -0.05 -2.53 1.44 0.00 -0.30 0.00 0.00 42.92 41.48 2h4i s ASP 496 CO 0.46 -1.00 1.79 -0.65 -0.17 0.00 0.00 175.17 175.60 2h4i h PRO 497 N 9.76 0.10 -0.00 4.34 0.11 -1.94 0.34 132.00 144.71 2h4i h PRO 497 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2h4i h PRO 497 Cb 1.17 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2h4i h PRO 497 CO 0.97 0.06 -0.07 1.63 -0.21 0.00 0.00 178.00 180.38 2h4i n LYS 498 N -4.31 0.24 -2.69 1.05 5.02 -1.26 -4.70 118.16 111.52 2h4i n LYS 498 Ca 0.26 -0.04 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 2h4i n LYS 498 Cb 1.17 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.69 2h4i n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2h4i s SER 499 N -2.79 6.01 0.45 4.39 1.04 0.12 -4.96 113.70 117.96 2h4i s SER 499 Ca 0.20 0.72 0.31 0.00 0.48 0.00 0.00 55.95 57.67 2h4i s SER 499 Cb 0.19 -1.96 1.55 0.00 0.10 0.00 0.00 66.02 65.91 2h4i s SER 499 CO 0.52 -0.71 1.94 0.08 0.98 0.00 0.00 173.24 176.04 2h4i h ARG 500 N 0.18 0.00 0.00 4.02 0.11 -1.90 -1.41 114.38 115.38 2h4i h ARG 500 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2h4i h ARG 500 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2h4i h ARG 500 CO 0.61 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.96 2h4i n LEU 501 N -2.63 0.07 -0.01 0.08 4.77 -1.26 -1.20 117.00 116.82 2h4i n LEU 501 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2h4i n LEU 501 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2h4i n LEU 501 CO 0.17 -0.18 0.25 0.00 -1.33 0.00 0.00 177.39 176.30 2h4i h ALA 503 N 0.07 1.70 -0.02 0.00 0.00 -1.13 -1.96 119.26 117.92 2h4i h ALA 503 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2h4i h ALA 503 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2h4i h ALA 503 CO 0.00 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.49 2h4i n LEU 504 N -4.71 1.42 -4.83 0.00 4.32 0.96 -4.93 117.00 109.23 2h4i n LEU 504 Ca 0.22 -0.48 -0.33 0.00 -0.02 0.00 0.00 56.01 55.40 2h4i n LEU 504 Cb 0.54 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 2h4i n LEU 504 CO 0.24 0.24 0.50 0.00 -1.22 0.00 0.00 177.39 177.14 2h4i n ALA 506 N -0.23 3.13 -0.12 0.00 0.00 -1.26 -4.80 120.51 117.23 2h4i n ALA 506 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2h4i n ALA 506 Cb 0.53 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.52 2h4i n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2h4i n GLY 507 N 1.51 -1.52 0.00 0.00 0.00 -1.26 -4.29 105.19 99.63 2h4i n GLY 507 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 2h4i n GLY 507 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2h4i n ASP 508 N 0.00 0.00 -0.27 1.61 5.75 0.19 -2.33 116.55 121.51 2h4i n ASP 508 Ca 0.00 -0.10 0.30 0.00 -0.01 0.00 0.00 54.79 54.98 2h4i n ASP 508 Cb 0.00 0.00 0.68 0.00 -1.03 0.00 0.00 41.12 40.77 2h4i n ASP 508 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2h4i h ASP 509 N 0.00 0.11 -0.27 -1.12 2.03 -1.88 -1.85 116.42 113.43 2h4i h ASP 509 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 2h4i h ASP 509 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2h4i h ASP 509 CO 0.00 0.02 0.00 0.00 -1.03 0.00 0.00 179.24 178.23 2h4i n GLN 510 N -4.31 2.15 -0.39 4.15 6.02 -1.26 -4.96 117.38 118.77 2h4i n GLN 510 Ca 0.23 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 2h4i n GLN 510 Cb 1.05 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 31.02 2h4i n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2h4i n GLY 511 N 0.70 1.05 3.87 1.08 0.00 -0.70 -5.03 105.19 106.16 2h4i n GLY 511 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2h4i n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h4i s LEU 512 N 0.00 3.19 -1.44 0.99 1.43 -1.26 -4.13 118.68 117.47 2h4i s LEU 512 Ca 0.00 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2h4i s LEU 512 Cb 0.00 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 41.79 2h4i s LEU 512 CO 0.00 -0.96 0.00 0.47 0.23 0.00 0.00 176.35 176.09 2h4i n ASP 513 N -2.80 -4.85 -4.68 2.29 8.00 -1.26 -0.64 116.55 112.61 2h4i n ASP 513 Ca 0.06 0.04 -0.51 0.00 0.71 0.00 0.00 54.79 55.10 2h4i n ASP 513 Cb 0.54 -3.94 -0.05 0.00 -0.02 0.00 0.00 41.12 37.65 2h4i n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2h4i n LYS 514 N -2.56 1.88 -1.00 -1.24 4.81 -1.26 -2.13 118.16 116.66 2h4i n LYS 514 Ca -0.19 0.69 -0.00 0.00 -0.87 0.00 0.00 58.31 57.94 2h4i n LYS 514 Cb 0.63 -2.48 -0.00 0.00 0.02 0.00 0.00 35.03 33.20 2h4i n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h4i s VAL 516 N -1.84 3.31 -1.42 0.00 -7.23 -0.91 -0.91 120.40 111.40 2h4i s VAL 516 Ca 0.00 1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 61.13 2h4i s VAL 516 Cb 0.00 -3.54 0.05 0.00 0.56 0.00 0.00 36.38 33.45 2h4i s VAL 516 CO 0.00 0.03 2.56 -0.81 -0.31 0.00 0.00 175.10 176.57 2h4i n PRO 517 N -0.16 4.30 -3.80 4.82 -0.04 -1.26 -4.49 135.00 134.36 2h4i n PRO 517 Ca 0.06 -3.07 -0.10 0.00 -0.04 0.00 0.00 63.50 60.35 2h4i n PRO 517 Cb 0.48 -2.69 -0.05 0.00 -0.04 0.00 0.00 33.50 31.20 2h4i n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2h4i s ASN 518 N 0.96 -0.13 0.00 3.54 2.20 -1.26 -4.50 114.94 115.74 2h4i s ASN 518 Ca 0.59 -0.58 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 2h4i s ASN 518 Cb 0.18 0.50 0.00 0.00 -2.00 0.00 0.00 41.25 39.93 2h4i s ASN 518 CO -0.08 -0.94 0.95 -1.54 -2.94 0.00 0.00 177.10 172.54 2h4i n SER 519 N -0.26 0.00 0.28 3.54 3.41 -1.26 -2.23 113.62 117.10 2h4i n SER 519 Ca -0.11 0.45 0.13 0.00 -0.26 0.00 0.00 58.87 59.08 2h4i n SER 519 Cb 0.63 -0.45 0.81 0.00 -0.26 0.00 0.00 64.21 64.95 2h4i n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2h4i h LYS 520 N 0.00 0.00 -6.31 4.33 1.57 -1.94 -3.40 116.57 110.82 2h4i h LYS 520 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2h4i h LYS 520 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2h4i h LYS 520 CO 0.00 0.05 0.51 -2.00 -0.57 0.00 0.00 179.45 177.44 2h4i s GLU 521 N -4.49 4.46 0.26 3.15 2.56 -0.95 -3.16 118.70 120.54 2h4i s GLU 521 Ca -0.04 1.41 -0.01 0.00 0.00 0.00 0.00 54.97 56.33 2h4i s GLU 521 Cb 0.14 -3.51 0.54 0.00 2.00 0.00 0.00 34.13 33.30 2h4i s GLU 521 CO 0.57 -0.23 1.75 -0.22 -0.56 0.00 0.00 175.26 176.57 2h4i h LYS 522 N 7.01 0.57 -0.91 4.30 3.64 -1.68 -2.68 116.57 126.81 2h4i h LYS 522 Ca -0.34 -0.03 -0.51 0.00 -1.27 0.00 0.00 60.65 58.49 2h4i h LYS 522 Cb 1.17 -0.13 -0.28 0.00 -0.41 0.00 0.00 32.23 32.58 2h4i h LYS 522 CO 0.82 0.37 0.57 0.66 -2.27 0.00 0.00 179.45 179.61 2h4i n TYR 523 N -4.90 2.85 -3.35 1.91 4.01 -1.26 -4.38 117.16 112.03 2h4i n TYR 523 Ca 0.17 -2.08 -0.36 0.00 -0.16 0.00 0.00 57.90 55.48 2h4i n TYR 523 Cb 0.45 -0.98 -0.06 0.00 -0.31 0.00 0.00 39.34 38.44 2h4i n TYR 523 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 2h4i s TYR 524 N -3.41 3.64 0.09 -0.72 5.04 -1.01 -2.99 117.35 117.98 2h4i s TYR 524 Ca 0.57 1.09 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 2h4i s TYR 524 Cb 0.48 -2.39 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2h4i s TYR 524 CO 0.07 0.46 0.00 0.41 -1.34 0.00 0.00 175.55 175.15 2h4i n GLY 525 N 0.96 -2.06 0.27 8.97 0.00 0.26 -2.13 105.19 111.47 2h4i n GLY 525 Ca -0.06 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.62 2h4i n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2h4i h TYR 526 N -0.35 0.47 -0.15 1.61 0.05 -1.93 -1.04 116.97 115.62 2h4i h TYR 526 Ca 0.01 0.04 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 2h4i h TYR 526 Cb 0.35 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.99 2h4i h TYR 526 CO 0.00 0.04 -0.23 1.15 -1.05 0.00 0.00 178.16 178.07 2h4i h THR 527 N 0.41 1.36 -0.60 -2.88 2.02 -1.90 -2.74 112.91 108.59 2h4i h THR 527 Ca 0.41 -1.47 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 2h4i h THR 527 Cb 0.63 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2h4i h THR 527 CO -0.41 0.43 0.07 1.23 0.37 0.00 0.00 175.52 177.21 2h4i h GLY 528 N 0.03 1.09 1.36 2.16 0.00 -1.14 -1.27 103.07 105.30 2h4i h GLY 528 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 2h4i h GLY 528 CO 0.05 0.69 0.26 0.00 0.00 0.00 0.00 176.54 177.55 2h4i h ALA 529 N 1.01 1.36 -0.08 3.60 0.00 -1.10 0.80 119.26 124.85 2h4i h ALA 529 Ca 0.18 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 2h4i h ALA 529 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2h4i h ALA 529 CO 0.02 0.49 -0.81 0.35 0.00 0.00 0.00 179.25 179.30 2h4i h PHE 530 N 0.83 0.78 -0.65 0.00 3.57 -1.27 -2.97 116.94 117.23 2h4i h PHE 530 Ca 0.20 -0.37 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 2h4i h PHE 530 Cb 0.12 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2h4i h PHE 530 CO 0.01 1.17 0.26 -0.09 -2.23 0.00 0.00 178.31 177.43 2h4i h ARG 531 N 0.37 0.98 -0.92 1.11 2.43 -0.75 0.62 114.38 118.22 2h4i h ARG 531 Ca -0.05 -0.18 0.15 0.00 -0.81 0.00 0.00 59.98 59.09 2h4i h ARG 531 Cb 1.42 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.72 2h4i h ARG 531 CO 0.15 0.82 0.53 0.00 -1.51 0.00 0.00 179.97 179.96 2h4i h LEU 533 N 0.75 0.46 -1.17 0.00 5.85 -1.25 0.27 115.31 120.21 2h4i h LEU 533 Ca 0.50 -0.91 0.15 0.00 0.84 0.00 0.00 57.88 58.45 2h4i h LEU 533 Cb 0.67 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.47 2h4i h LEU 533 CO -0.34 1.49 0.60 0.00 -0.34 0.00 0.00 178.44 179.85 2h4i h ALA 534 N 0.04 1.74 -0.39 1.25 0.00 0.91 0.41 119.26 123.21 2h4i h ALA 534 Ca -0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2h4i h ALA 534 Cb 1.71 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2h4i h ALA 534 CO 0.12 -0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.75 2h4i n GLU 535 N -4.61 1.96 -1.95 0.00 1.02 0.55 -4.91 120.64 112.70 2h4i n GLU 535 Ca 0.19 -1.44 -0.18 0.00 -0.02 0.00 0.00 57.16 55.71 2h4i n GLU 535 Cb 0.47 -1.33 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 2h4i n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2h4i n ASP 536 N 0.65 -5.27 -0.02 1.62 8.00 0.14 -4.86 116.55 116.81 2h4i n ASP 536 Ca 0.13 0.22 -0.14 0.00 0.71 0.00 0.00 54.79 55.71 2h4i n ASP 536 Cb 0.35 -4.35 -0.03 0.00 -0.02 0.00 0.00 41.12 37.07 2h4i n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2h4i h VAL 537 N 0.00 1.30 -1.74 2.53 2.07 -0.69 -3.46 116.25 116.26 2h4i h VAL 537 Ca -0.41 -1.90 -0.63 0.00 0.82 0.00 0.00 66.70 64.58 2h4i h VAL 537 Cb 1.26 1.87 -0.13 0.00 -1.52 0.00 0.00 31.29 32.77 2h4i h VAL 537 CO 0.53 0.60 -0.62 -0.83 0.02 0.00 0.00 177.57 177.27 2h4i s GLY 538 N -4.11 2.42 -0.13 2.17 0.00 -0.79 -4.94 107.32 101.95 2h4i s GLY 538 Ca -0.09 -2.25 0.14 0.00 0.00 0.00 0.00 44.72 42.52 2h4i s GLY 538 CO 0.88 -2.08 0.33 1.22 0.00 0.00 0.00 173.10 173.45 2h4i n ASP 539 N -0.92 0.54 -4.02 1.64 8.00 -0.10 -4.62 116.55 117.07 2h4i n ASP 539 Ca -0.05 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.52 2h4i n ASP 539 Cb 0.66 0.41 -0.12 0.00 -0.02 0.00 0.00 41.12 42.05 2h4i n ASP 539 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2h4i s VAL 540 N -2.54 0.37 -0.02 2.53 0.11 -0.88 -4.31 120.40 115.67 2h4i s VAL 540 Ca -0.09 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 2h4i s VAL 540 Cb 0.07 -0.45 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2h4i s VAL 540 CO 0.82 -0.35 -0.08 0.00 -3.33 0.00 0.00 175.10 172.15 2h4i s ALA 541 N -1.22 0.76 -0.56 1.54 0.00 -0.79 -0.57 121.76 120.92 2h4i s ALA 541 Ca -0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 2h4i s ALA 541 Cb -0.09 -0.25 0.14 0.00 0.00 0.00 0.00 23.12 22.93 2h4i s ALA 541 CO -0.00 0.15 0.43 -0.06 0.00 0.00 0.00 175.76 176.27 2h4i s PHE 542 N 0.03 3.48 0.00 0.00 0.08 -0.31 -1.00 117.98 120.27 2h4i s PHE 542 Ca -0.00 -2.07 0.00 0.00 0.12 0.00 0.00 56.93 54.98 2h4i s PHE 542 Cb -0.06 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.90 2h4i s PHE 542 CO 0.00 -0.96 0.00 1.33 -0.10 0.00 0.00 175.22 175.49 2h4i n VAL 543 N 4.47 0.00 -4.45 -0.44 0.24 -1.11 -3.56 118.33 113.49 2h4i n VAL 543 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.04 2h4i n VAL 543 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 2h4i n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2h4i s LYS 544 N 1.35 1.68 0.24 7.34 -2.85 -1.26 -1.66 119.74 124.59 2h4i s LYS 544 Ca 0.00 -1.69 -0.07 0.00 -1.00 0.00 0.00 55.97 53.21 2h4i s LYS 544 Cb 0.00 -1.81 0.42 0.00 -2.06 0.00 0.00 37.83 34.38 2h4i s LYS 544 CO 0.00 0.35 1.66 -0.97 0.10 0.00 0.00 175.35 176.49 2h4i h ASN 545 N 2.45 -0.19 -0.62 0.03 -1.24 -1.63 -2.04 115.58 112.35 2h4i h ASN 545 Ca -0.42 0.17 0.07 0.00 0.71 0.00 0.00 56.30 56.83 2h4i h ASN 545 Cb 1.25 0.27 -0.04 0.00 0.73 0.00 0.00 38.32 40.53 2h4i h ASN 545 CO 0.57 -0.11 0.41 0.44 -1.29 0.00 0.00 177.43 177.45 2h4i h ASP 546 N 0.17 0.49 -0.73 1.15 5.19 -1.97 -2.73 116.42 117.99 2h4i h ASP 546 Ca 0.40 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.85 2h4i h ASP 546 Cb 0.68 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.05 2h4i h ASP 546 CO -0.57 0.31 0.48 0.74 -3.12 0.00 0.00 179.24 177.08 2h4i h THR 547 N 0.56 1.10 -0.08 0.35 2.02 -1.77 -1.90 112.91 113.20 2h4i h THR 547 Ca 0.27 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2h4i h THR 547 Cb 0.35 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2h4i h THR 547 CO -0.08 0.16 0.01 0.58 0.37 0.00 0.00 175.52 176.56 2h4i h VAL 548 N 0.88 1.22 -0.58 3.16 2.07 -1.61 -3.04 116.25 118.34 2h4i h VAL 548 Ca 0.29 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2h4i h VAL 548 Cb 0.07 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2h4i h VAL 548 CO -0.08 0.19 0.23 -0.50 0.02 0.00 0.00 177.57 177.42 2h4i h TRP 549 N -0.12 0.85 -0.00 1.57 4.06 -1.57 -2.85 115.95 117.89 2h4i h TRP 549 Ca 0.02 -0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2h4i h TRP 549 Cb 0.29 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2h4i h TRP 549 CO 0.02 0.66 -0.01 0.39 -3.56 0.00 0.00 178.44 175.93 2h4i n GLU 550 N -4.32 0.01 -0.05 0.49 1.02 -0.74 -3.60 120.64 113.45 2h4i n GLU 550 Ca 0.05 -0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.23 2h4i n GLU 550 Cb 0.17 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.14 2h4i n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2h4i n ASN 551 N -1.49 1.91 -4.35 1.62 3.02 -1.14 -3.15 115.26 111.68 2h4i n ASN 551 Ca 0.07 -2.35 -0.18 0.00 -0.03 0.00 0.00 54.58 52.09 2h4i n ASN 551 Cb 0.34 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.23 2h4i n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2h4i s THR 552 N -1.61 1.42 -1.34 3.41 -4.23 -1.09 -4.67 115.64 107.53 2h4i s THR 552 Ca 0.12 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 2h4i s THR 552 Cb 0.11 -2.19 0.02 0.00 1.34 0.00 0.00 72.50 71.77 2h4i s THR 552 CO 0.01 -0.47 0.77 0.59 -0.54 0.00 0.00 174.62 174.97 2h4i n ASN 553 N -0.41 -1.91 -1.35 3.99 4.13 0.61 -2.34 115.26 117.98 2h4i n ASN 553 Ca -0.07 -0.80 -0.18 0.00 1.68 0.00 0.00 54.58 55.21 2h4i n ASN 553 Cb 0.62 -4.07 -0.08 0.00 -1.54 0.00 0.00 39.78 34.71 2h4i n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2h4i n GLY 554 N -1.59 1.68 0.12 7.41 0.00 -1.26 -4.85 105.19 106.70 2h4i n GLY 554 Ca -0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 2h4i n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2h4i h GLU 555 N 0.00 0.00 -5.27 1.61 4.39 -1.70 -3.41 114.58 110.19 2h4i h GLU 555 Ca -0.36 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.70 2h4i h GLU 555 Cb 1.30 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 29.73 2h4i h GLU 555 CO 0.53 0.69 -0.66 0.45 -1.16 0.00 0.00 179.01 178.86 2h4i s SER 556 N -6.77 4.82 0.00 1.42 0.15 -1.19 -4.89 113.70 107.25 2h4i s SER 556 Ca -0.00 -0.13 0.23 0.00 0.70 0.00 0.00 55.95 56.75 2h4i s SER 556 Cb 0.12 -1.79 0.93 0.00 -1.71 0.00 0.00 66.02 63.56 2h4i s SER 556 CO 0.77 0.16 1.65 0.35 1.20 0.00 0.00 173.24 177.37 2h4i n THR 557 N 3.63 0.12 -2.06 6.45 -2.24 -1.26 -4.03 114.28 114.89 2h4i n THR 557 Ca -0.17 -0.27 -0.37 0.00 -2.27 0.00 0.00 64.05 60.97 2h4i n THR 557 Cb 0.52 0.31 0.02 0.00 -2.10 0.00 0.00 70.33 69.08 2h4i n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h4i s ALA 558 N -1.88 2.77 0.34 6.98 0.00 -1.26 -4.78 121.76 123.93 2h4i s ALA 558 Ca 0.34 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.40 2h4i s ALA 558 Cb 0.18 -3.45 0.69 0.00 0.00 0.00 0.00 23.12 20.55 2h4i s ALA 558 CO 0.29 -1.01 1.92 0.38 0.00 0.00 0.00 175.76 177.33 2h4i h ASP 559 N 1.45 0.74 1.55 0.00 2.03 -2.01 0.27 116.42 120.45 2h4i h ASP 559 Ca -0.50 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2h4i h ASP 559 Cb 1.28 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 2h4i h ASP 559 CO 0.57 0.45 -0.08 4.11 -1.03 0.00 0.00 179.24 183.26 2h4i h TRP 560 N 0.83 0.00 0.00 4.15 5.08 -1.97 -3.32 115.95 120.72 2h4i h TRP 560 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 2h4i h TRP 560 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.52 2h4i h TRP 560 CO -0.00 0.00 -1.47 0.00 -1.28 0.00 0.00 178.44 175.69 2h4i n ALA 561 N -1.88 3.02 -0.24 0.11 0.00 -0.87 -4.70 120.51 115.95 2h4i n ALA 561 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.02 2h4i n ALA 561 Cb 0.46 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 2h4i n ALA 561 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2h4i n LYS 562 N -1.88 -0.25 -0.07 0.00 5.02 0.03 -1.17 118.16 119.84 2h4i n LYS 562 Ca -0.01 1.11 0.05 0.00 -2.02 0.00 0.00 58.31 57.44 2h4i n LYS 562 Cb 0.38 -1.64 0.21 0.00 -0.02 0.00 0.00 35.03 33.96 2h4i n LYS 562 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2h4i n ASN 563 N -4.34 0.91 -4.72 4.39 3.02 -1.26 -4.07 115.26 109.18 2h4i n ASN 563 Ca 0.01 -1.85 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 2h4i n ASN 563 Cb 0.15 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 2h4i n ASN 563 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2h4i s LEU 564 N -1.20 4.42 -0.13 3.41 1.43 -0.32 -4.97 118.68 121.33 2h4i s LEU 564 Ca 0.18 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2h4i s LEU 564 Cb 0.09 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 2h4i s LEU 564 CO 0.14 -0.36 -0.15 -0.75 0.23 0.00 0.00 176.35 175.45 2h4i s LYS 565 N 0.41 3.31 0.29 1.70 2.36 -1.26 -0.28 119.74 126.26 2h4i s LYS 565 Ca 0.54 -0.73 0.02 0.00 -2.55 0.00 0.00 55.97 53.26 2h4i s LYS 565 Cb -0.29 -2.56 0.59 0.00 -1.05 0.00 0.00 37.83 34.51 2h4i s LYS 565 CO 0.32 0.19 1.82 0.00 1.55 0.00 0.00 175.35 179.24 2h4i h ARG 566 N 6.74 0.91 0.00 4.03 3.08 -1.93 -1.56 114.38 125.65 2h4i h ARG 566 Ca -0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2h4i h ARG 566 Cb 1.22 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2h4i h ARG 566 CO 0.54 0.60 0.00 0.39 -1.07 0.00 0.00 179.97 180.43 2h4i n GLU 567 N -4.66 0.26 -0.16 0.04 -0.58 -1.26 -1.58 120.64 112.70 2h4i n GLU 567 Ca 0.20 0.10 0.11 0.00 -0.42 0.00 0.00 57.16 57.15 2h4i n GLU 567 Cb 0.40 -1.50 0.26 0.00 -0.57 0.00 0.00 31.44 30.03 2h4i n GLU 567 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2h4i n ASP 568 N -1.17 2.91 -4.53 1.62 8.00 -0.59 -4.85 116.55 117.94 2h4i n ASP 568 Ca 0.07 -1.92 -0.25 0.00 0.71 0.00 0.00 54.79 53.41 2h4i n ASP 568 Cb 0.07 -0.22 -0.09 0.00 -0.02 0.00 0.00 41.12 40.86 2h4i n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2h4i s PHE 569 N -1.57 2.46 -0.07 1.24 0.08 -0.61 0.11 117.98 119.63 2h4i s PHE 569 Ca 0.37 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 57.03 2h4i s PHE 569 Cb 0.21 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.56 2h4i s PHE 569 CO 0.30 0.62 0.25 1.03 -0.10 0.00 0.00 175.22 177.32 2h4i s ARG 570 N -3.32 0.40 0.21 0.44 1.81 -0.59 -4.35 118.95 113.56 2h4i s ARG 570 Ca 0.28 0.13 -0.08 0.00 -1.72 0.00 0.00 55.73 54.34 2h4i s ARG 570 Cb -0.06 0.18 -0.07 0.00 -0.45 0.00 0.00 34.95 34.55 2h4i s ARG 570 CO 0.16 -0.08 0.51 -0.51 -0.68 0.00 0.00 175.30 174.70 2h4i s LEU 571 N -0.39 4.18 -0.24 2.53 1.43 -0.06 -0.63 118.68 125.49 2h4i s LEU 571 Ca -0.05 0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 53.80 2h4i s LEU 571 Cb -0.03 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 2h4i s LEU 571 CO 0.01 -0.06 0.07 -0.76 0.23 0.00 0.00 176.35 175.85 2h4i s LEU 572 N -2.85 3.49 0.40 1.79 1.43 -0.47 -2.32 118.68 120.15 2h4i s LEU 572 Ca 0.46 -0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2h4i s LEU 572 Cb -0.11 -1.93 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 2h4i s LEU 572 CO 0.23 -0.00 0.59 0.00 0.23 0.00 0.00 176.35 177.39 2h4i h LEU 574 N 0.61 0.00 -0.29 0.00 3.38 -1.87 -2.93 115.31 114.20 2h4i h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2h4i h LEU 574 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2h4i h LEU 574 CO 0.57 0.10 0.00 -0.90 0.09 0.00 0.00 178.44 178.30 2h4i n ASP 575 N -3.19 0.28 -0.06 -0.43 5.68 -1.26 -4.81 116.55 112.75 2h4i n ASP 575 Ca 0.01 -1.92 -0.01 0.00 -0.50 0.00 0.00 54.79 52.37 2h4i n ASP 575 Cb 0.41 -0.14 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 2h4i n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2h4i n GLY 576 N 0.33 0.48 3.91 6.12 0.00 -1.11 -5.04 105.19 109.90 2h4i n GLY 576 Ca 0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 2h4i n GLY 576 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2h4i s THR 577 N -1.99 2.75 -0.08 2.61 2.01 -1.26 -4.66 115.64 115.03 2h4i s THR 577 Ca 0.00 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.77 2h4i s THR 577 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.52 2h4i s THR 577 CO 0.00 -0.00 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.67 2h4i s ARG 578 N -4.19 1.79 0.21 4.92 0.52 -1.26 -1.86 118.95 119.07 2h4i s ARG 578 Ca 0.50 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 55.33 2h4i s ARG 578 Cb -0.05 -1.50 -0.05 0.00 0.52 0.00 0.00 34.95 33.87 2h4i s ARG 578 CO 0.29 -0.00 -0.08 0.15 0.02 0.00 0.00 175.30 175.68 2h4i s LYS 579 N 0.77 1.30 0.66 3.54 1.02 -0.98 -4.95 119.74 121.10 2h4i s LYS 579 Ca -0.12 -1.61 -0.17 0.00 0.02 0.00 0.00 55.97 54.09 2h4i s LYS 579 Cb -0.16 -0.86 -0.00 0.00 -0.52 0.00 0.00 37.83 36.29 2h4i s LYS 579 CO 0.02 0.06 1.21 -2.14 -0.92 0.00 0.00 175.35 173.58 2h4i s PRO 580 N -3.74 2.60 0.23 -1.68 0.02 -1.26 -0.88 135.00 130.28 2h4i s PRO 580 Ca 0.24 1.79 0.17 0.00 0.02 0.00 0.00 61.00 63.22 2h4i s PRO 580 Cb 0.03 -1.89 0.88 0.00 0.02 0.00 0.00 34.50 33.54 2h4i s PRO 580 CO 0.06 -1.49 1.53 1.33 -0.33 0.00 0.00 177.00 178.10 2h4i n VAL 581 N -2.12 1.20 0.52 3.83 0.24 -1.26 -1.16 118.33 119.59 2h4i n VAL 581 Ca 0.14 0.59 0.11 0.00 -2.04 0.00 0.00 64.34 63.14 2h4i n VAL 581 Cb 0.50 -1.57 0.44 0.00 -1.47 0.00 0.00 33.84 31.74 2h4i n VAL 581 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2h4i n THR 582 N -2.07 0.75 -1.40 3.34 -2.24 -1.26 -3.57 114.28 107.83 2h4i n THR 582 Ca -0.00 0.13 -0.24 0.00 -2.27 0.00 0.00 64.05 61.66 2h4i n THR 582 Cb 0.06 -0.96 0.13 0.00 -2.10 0.00 0.00 70.33 67.47 2h4i n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2h4i n GLU 583 N -1.97 2.48 0.27 -0.78 4.71 -0.31 -4.72 120.64 120.33 2h4i n GLU 583 Ca 0.04 -3.28 0.11 0.00 -0.01 0.00 0.00 57.16 54.01 2h4i n GLU 583 Cb 0.26 -2.16 0.72 0.00 -1.01 0.00 0.00 31.44 29.25 2h4i n GLU 583 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2h4i h ALA 584 N 1.49 1.64 -0.17 0.62 0.00 -1.77 -2.14 119.26 118.93 2h4i h ALA 584 Ca 0.52 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.42 2h4i h ALA 584 Cb 1.75 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2h4i h ALA 584 CO 1.11 0.08 0.23 1.96 0.00 0.00 0.00 179.25 182.63 2h4i h GLN 585 N 0.00 0.00 0.00 0.00 1.08 -1.93 -2.56 115.11 111.71 2h4i h GLN 585 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2h4i h GLN 585 Cb 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2h4i h GLN 585 CO 0.01 0.00 -0.03 -1.13 -0.95 0.00 0.00 178.83 176.73 2h4i n SER 586 N -3.61 1.45 -2.75 1.46 3.41 -0.83 -4.82 113.62 107.94 2h4i n SER 586 Ca 0.01 -1.91 -0.10 0.00 -0.26 0.00 0.00 58.87 56.62 2h4i n SER 586 Cb 0.35 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.27 2h4i n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h4i s HIS 588 N -2.05 2.53 -0.14 0.00 -0.00 -1.21 -4.61 115.29 109.80 2h4i s HIS 588 Ca 0.27 -0.50 0.20 0.00 -0.00 0.00 0.00 55.06 55.03 2h4i s HIS 588 Cb 0.42 -1.58 -0.15 0.00 -0.00 0.00 0.00 32.58 31.27 2h4i s HIS 588 CO -0.01 0.45 0.74 1.28 -0.00 0.00 0.00 174.74 177.20 2h4i n LEU 589 N -0.97 0.57 0.00 5.38 4.77 0.15 -4.71 117.00 122.19 2h4i n LEU 589 Ca -0.04 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2h4i n LEU 589 Cb 0.63 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2h4i n LEU 589 CO 0.44 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 2h4i n ALA 590 N -2.32 0.00 -3.00 -1.18 0.00 -1.22 -5.00 120.51 107.79 2h4i n ALA 590 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.01 2h4i n ALA 590 Cb 0.71 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.04 2h4i n ALA 590 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h4i s VAL 591 N -2.00 4.39 0.13 0.00 0.11 -1.26 -0.25 120.40 121.51 2h4i s VAL 591 Ca 0.00 -0.15 -0.02 0.00 -2.93 0.00 0.00 61.98 58.88 2h4i s VAL 591 Cb 0.00 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.77 2h4i s VAL 591 CO 0.00 0.36 0.33 0.00 -3.33 0.00 0.00 175.10 172.46 2h4i s ALA 592 N 1.37 3.87 0.41 1.54 0.00 0.30 -4.87 121.76 124.39 2h4i s ALA 592 Ca 0.05 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 2h4i s ALA 592 Cb -0.15 -1.99 -0.09 0.00 0.00 0.00 0.00 23.12 20.89 2h4i s ALA 592 CO 0.03 0.66 1.05 -1.25 0.00 0.00 0.00 175.76 176.25 2h4i s PRO 593 N -2.79 4.12 0.80 0.00 0.04 -1.26 -1.09 135.00 134.82 2h4i s PRO 593 Ca 0.38 1.50 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2h4i s PRO 593 Cb -0.12 -2.49 0.07 0.00 0.04 0.00 0.00 34.50 32.00 2h4i s PRO 593 CO 0.27 -0.18 1.12 0.09 0.04 0.00 0.00 177.00 178.34 2h4i n ASN 594 N -0.18 0.76 -4.77 6.66 3.02 -1.26 -4.47 115.26 115.02 2h4i n ASN 594 Ca 0.05 0.58 -0.37 0.00 -0.03 0.00 0.00 54.58 54.82 2h4i n ASN 594 Cb 0.50 -1.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.19 2h4i n ASN 594 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2h4i s HIS 595 N -2.10 2.76 0.05 3.10 3.76 -1.26 -4.58 115.29 117.02 2h4i s HIS 595 Ca 0.72 1.52 -0.05 0.00 -0.15 0.00 0.00 55.06 57.10 2h4i s HIS 595 Cb -0.29 -3.40 -0.01 0.00 1.11 0.00 0.00 32.58 29.98 2h4i s HIS 595 CO 0.52 -1.68 0.09 0.00 -0.85 0.00 0.00 174.74 172.82 2h4i s ALA 596 N -1.57 0.02 -0.01 -1.40 0.00 -0.10 -1.25 121.76 117.45 2h4i s ALA 596 Ca 0.67 -0.71 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2h4i s ALA 596 Cb -0.29 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 2h4i s ALA 596 CO 0.34 -0.38 1.07 0.08 0.00 0.00 0.00 175.76 176.87 2h4i s VAL 597 N -3.20 4.56 0.26 0.00 1.01 0.56 0.76 120.40 124.35 2h4i s VAL 597 Ca 0.00 1.84 0.11 0.00 0.00 0.00 0.00 61.98 63.93 2h4i s VAL 597 Cb 0.02 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2h4i s VAL 597 CO -0.07 0.10 -0.14 0.68 0.00 0.00 0.00 175.10 175.67 2h4i s VAL 598 N 1.36 2.81 0.32 2.92 -7.23 0.10 -0.07 120.40 120.62 2h4i s VAL 598 Ca 0.54 -2.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.37 2h4i s VAL 598 Cb -0.23 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2h4i s VAL 598 CO 0.26 -0.34 0.71 -0.94 -0.31 0.00 0.00 175.10 174.48 2h4i s SER 599 N -3.41 -0.08 0.41 4.85 1.04 -0.85 -2.99 113.70 112.66 2h4i s SER 599 Ca 0.29 -0.89 -0.23 0.00 0.48 0.00 0.00 55.95 55.59 2h4i s SER 599 Cb -0.06 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.73 2h4i s SER 599 CO 0.16 -1.46 1.03 -0.60 0.98 0.00 0.00 173.24 173.34 2h4i s ARG 600 N -3.25 4.17 0.50 4.02 3.52 -1.26 0.48 118.95 127.13 2h4i s ARG 600 Ca 0.15 1.43 0.15 0.00 -0.13 0.00 0.00 55.73 57.33 2h4i s ARG 600 Cb -0.05 -2.47 1.19 0.00 -1.56 0.00 0.00 34.95 32.06 2h4i s ARG 600 CO 0.10 -0.12 2.10 0.66 -0.81 0.00 0.00 175.30 177.22 2h4i h SER 601 N 2.38 0.01 0.00 -2.12 4.64 -1.92 0.38 113.55 116.92 2h4i h SER 601 Ca -0.48 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2h4i h SER 601 Cb 1.21 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2h4i h SER 601 CO 0.62 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.74 2h4i n ASP 602 N -4.48 0.00 -0.00 4.97 5.75 -1.26 -3.11 116.55 118.42 2h4i n ASP 602 Ca -0.03 -0.81 0.01 0.00 -0.01 0.00 0.00 54.79 53.95 2h4i n ASP 602 Cb 0.13 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.21 2h4i n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2h4i n ARG 603 N -0.98 0.59 -0.26 0.11 5.12 0.03 -4.83 116.66 116.43 2h4i n ARG 603 Ca 0.18 -0.02 0.02 0.00 -1.93 0.00 0.00 57.85 56.10 2h4i n ARG 603 Cb 0.08 -1.06 0.10 0.00 -1.16 0.00 0.00 32.46 30.43 2h4i n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2h4i h ALA 604 N 0.20 0.54 -0.90 7.54 0.00 -1.23 -0.04 119.26 125.37 2h4i h ALA 604 Ca -0.01 0.29 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2h4i h ALA 604 Cb 0.26 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2h4i h ALA 604 CO 0.00 -0.41 0.56 0.00 0.00 0.00 0.00 179.25 179.40 2h4i h ALA 605 N 1.75 1.25 -0.17 0.00 0.00 -1.88 0.96 119.26 121.17 2h4i h ALA 605 Ca 0.37 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 2h4i h ALA 605 Cb 0.58 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2h4i h ALA 605 CO -0.76 0.30 -0.75 1.25 0.00 0.00 0.00 179.25 179.29 2h4i h HIS 606 N 1.01 1.09 -0.30 0.00 6.17 -1.59 -2.74 115.15 118.80 2h4i h HIS 606 Ca 0.40 -0.47 -0.05 0.00 0.71 0.00 0.00 60.37 60.95 2h4i h HIS 606 Cb 0.21 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 2h4i h HIS 606 CO -0.03 1.31 -0.03 0.28 0.71 0.00 0.00 177.93 180.17 2h4i h VAL 607 N 0.57 1.27 -0.00 5.26 2.07 -0.65 -2.89 116.25 121.88 2h4i h VAL 607 Ca -0.04 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.49 2h4i h VAL 607 Cb 1.38 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.44 2h4i h VAL 607 CO 0.16 0.32 -0.22 -0.08 0.02 0.00 0.00 177.57 177.78 2h4i h GLU 608 N 0.32 -0.33 -0.02 1.57 4.81 -0.85 -1.56 114.58 118.52 2h4i h GLU 608 Ca 0.08 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2h4i h GLU 608 Cb 0.49 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 2h4i h GLU 608 CO 0.02 -0.22 -0.11 0.37 -0.73 0.00 0.00 179.01 178.35 2h4i h GLN 609 N -0.34 -0.17 -0.70 1.92 4.15 -1.50 -2.10 115.11 116.37 2h4i h GLN 609 Ca 0.06 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2h4i h GLN 609 Cb 0.42 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 2h4i h GLN 609 CO -0.20 -0.11 0.38 0.28 -1.93 0.00 0.00 178.83 177.25 2h4i h VAL 610 N -0.17 1.21 -0.38 2.39 2.07 -1.43 -2.97 116.25 116.96 2h4i h VAL 610 Ca 0.05 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2h4i h VAL 610 Cb 0.23 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2h4i h VAL 610 CO -0.12 0.23 -0.04 0.25 0.02 0.00 0.00 177.57 177.91 2h4i h LEU 611 N 0.97 0.69 -1.11 2.57 5.85 -0.97 -0.97 115.31 122.34 2h4i h LEU 611 Ca 0.25 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2h4i h LEU 611 Cb 0.02 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2h4i h LEU 611 CO -0.04 0.86 0.24 -0.07 -0.34 0.00 0.00 178.44 179.09 2h4i h LEU 612 N 0.51 0.80 -0.09 2.25 3.38 -1.27 0.13 115.31 121.02 2h4i h LEU 612 Ca 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2h4i h LEU 612 Cb 0.52 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2h4i h LEU 612 CO 0.03 0.72 -0.08 -0.74 0.09 0.00 0.00 178.44 178.45 2h4i h HIS 613 N 0.86 0.24 -0.88 1.13 2.76 -1.44 -1.95 115.15 115.87 2h4i h HIS 613 Ca 0.21 -0.07 0.09 0.00 -2.20 0.00 0.00 60.37 58.39 2h4i h HIS 613 Cb 0.16 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.01 2h4i h HIS 613 CO 0.01 0.63 0.57 1.96 -1.30 0.00 0.00 177.93 179.80 2h4i h GLN 614 N -0.21 0.87 -0.22 5.26 1.08 -0.88 -1.38 115.11 119.63 2h4i h GLN 614 Ca 0.01 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 2h4i h GLN 614 Cb 0.58 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2h4i h GLN 614 CO 0.02 0.58 -0.26 0.37 -0.95 0.00 0.00 178.83 178.59 2h4i h GLN 615 N 0.90 0.42 0.00 1.46 4.15 -0.59 -0.62 115.11 120.83 2h4i h GLN 615 Ca 0.40 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.67 2h4i h GLN 615 Cb 0.36 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2h4i h GLN 615 CO -0.17 0.65 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 2h4i h ALA 616 N 1.36 1.00 0.03 3.38 0.00 -0.46 0.37 119.26 124.95 2h4i h ALA 616 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.60 2h4i h ALA 616 Cb 0.65 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.39 2h4i h ALA 616 CO 0.05 0.00 -2.24 1.28 0.00 0.00 0.00 179.25 178.33 2h4i n LEU 617 N -2.43 2.10 0.00 0.00 4.77 -0.79 -2.68 117.00 117.97 2h4i n LEU 617 Ca 0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2h4i n LEU 617 Cb 0.31 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2h4i n LEU 617 CO 0.24 0.77 0.39 0.49 -1.33 0.00 0.00 177.39 177.96 2h4i n PHE 618 N -3.20 0.00 -0.54 -1.77 3.72 -0.31 -1.53 117.46 113.83 2h4i n PHE 618 Ca -0.36 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.74 2h4i n PHE 618 Cb 1.04 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 2h4i n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2h4i n GLY 619 N -0.30 -2.23 0.29 1.37 0.00 0.13 -1.54 105.19 102.91 2h4i n GLY 619 Ca 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 44.58 2h4i n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2h4i h LYS 620 N 0.00 0.63 -1.08 1.61 3.64 -1.81 -2.82 116.57 116.74 2h4i h LYS 620 Ca 0.00 -0.04 -0.58 0.00 -1.27 0.00 0.00 60.65 58.76 2h4i h LYS 620 Cb 0.00 -0.14 -0.41 0.00 -0.41 0.00 0.00 32.23 31.27 2h4i h LYS 620 CO 0.00 0.42 -0.56 0.09 -2.27 0.00 0.00 179.45 177.13 2h4i n ASN 621 N -4.84 5.22 -4.82 4.20 5.03 -1.26 -4.85 115.26 113.94 2h4i n ASN 621 Ca 0.14 -3.75 -0.33 0.00 0.87 0.00 0.00 54.58 51.51 2h4i n ASN 621 Cb 0.34 -0.47 -0.05 0.00 -1.02 0.00 0.00 39.78 38.59 2h4i n ASN 621 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2h4i s GLY 622 N -3.31 2.33 0.31 7.41 0.00 -1.07 -4.94 107.32 108.06 2h4i s GLY 622 Ca 0.51 0.41 0.06 0.00 0.00 0.00 0.00 44.72 45.70 2h4i s GLY 622 CO -0.06 0.70 1.65 1.70 0.00 0.00 0.00 173.10 177.08 2h4i h LYS 623 N 1.50 0.22 -0.00 2.90 3.64 -1.54 -2.83 116.57 120.45 2h4i h LYS 623 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2h4i h LYS 623 Cb 1.19 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2h4i h LYS 623 CO 0.60 0.15 -0.14 0.09 -2.27 0.00 0.00 179.45 177.88 2h4i n ASN 624 N -5.19 0.65 0.00 4.20 3.02 -0.64 -4.91 115.26 112.39 2h4i n ASN 624 Ca 0.25 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 2h4i n ASN 624 Cb 0.80 0.65 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 2h4i n ASN 624 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h4i h PRO 626 N 0.00 -0.05 0.33 0.00 0.11 -1.81 -1.94 132.00 128.64 2h4i h PRO 626 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2h4i h PRO 626 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2h4i h PRO 626 CO 0.00 -0.03 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.16 2h4i h ASP 627 N -0.05 -0.37 0.00 -2.05 3.32 -1.91 -3.43 116.42 111.93 2h4i h ASP 627 Ca 0.29 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 2h4i h ASP 627 Cb 0.50 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2h4i h ASP 627 CO -0.67 0.04 -1.36 0.29 -1.72 0.00 0.00 179.24 175.82 2h4i n LYS 628 N -5.11 0.53 -3.71 3.56 5.02 -0.54 -5.08 118.16 112.82 2h4i n LYS 628 Ca -0.09 0.22 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 2h4i n LYS 628 Cb 0.27 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 2h4i n LYS 628 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2h4i s PHE 629 N -2.78 -0.48 -0.18 2.13 5.36 -0.62 -5.02 117.98 116.40 2h4i s PHE 629 Ca -0.31 1.12 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 2h4i s PHE 629 Cb 0.07 0.17 0.03 0.00 -0.34 0.00 0.00 43.02 42.96 2h4i s PHE 629 CO 0.43 -0.27 -0.11 0.00 -1.46 0.00 0.00 175.22 173.80 2h4i h LEU 631 N 8.02 0.46 -1.80 0.00 3.38 -1.61 -2.86 115.31 120.90 2h4i h LEU 631 Ca -0.31 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2h4i h LEU 631 Cb 1.11 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2h4i h LEU 631 CO 0.49 0.25 0.00 0.49 0.09 0.00 0.00 178.44 179.76 2h4i n PHE 632 N -4.87 0.76 -4.69 1.13 3.72 -1.26 -4.74 117.46 107.51 2h4i n PHE 632 Ca 0.12 -0.30 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 2h4i n PHE 632 Cb 0.29 -0.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.56 2h4i n PHE 632 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2h4i s LYS 633 N -1.68 2.02 -0.13 -1.08 2.47 -1.08 -4.30 119.74 115.96 2h4i s LYS 633 Ca 0.26 -1.01 0.03 0.00 -1.56 0.00 0.00 55.97 53.70 2h4i s LYS 633 Cb 0.17 -2.15 0.10 0.00 -1.46 0.00 0.00 37.83 34.48 2h4i s LYS 633 CO 0.13 0.53 0.82 -1.13 0.16 0.00 0.00 175.35 175.86 2h4i n SER 634 N 1.58 -0.53 -3.65 1.43 3.41 -1.26 -4.92 113.62 109.67 2h4i n SER 634 Ca -0.16 -1.38 -0.31 0.00 -0.26 0.00 0.00 58.87 56.75 2h4i n SER 634 Cb 0.52 0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.83 2h4i n SER 634 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2h4i n GLU 635 N -0.40 -1.74 -0.52 4.33 0.28 -1.26 -1.93 120.64 119.40 2h4i n GLU 635 Ca -0.09 1.09 0.00 0.00 -0.16 0.00 0.00 57.16 58.00 2h4i n GLU 635 Cb 0.61 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.27 2h4i n GLU 635 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2h4i n THR 636 N -1.45 0.00 1.12 3.84 5.66 -1.26 -4.84 114.28 117.35 2h4i n THR 636 Ca -0.21 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.92 2h4i n THR 636 Cb 0.69 -0.52 0.25 0.00 -1.55 0.00 0.00 70.33 69.20 2h4i n THR 636 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2h4i n LYS 637 N -1.69 0.53 -3.98 1.09 5.02 -0.81 -4.88 118.16 113.43 2h4i n LYS 637 Ca 0.00 -0.35 -0.26 0.00 -2.02 0.00 0.00 58.31 55.69 2h4i n LYS 637 Cb 0.04 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 2h4i n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2h4i n ASN 638 N -0.93 -0.29 -4.65 4.39 5.03 -1.26 -4.92 115.26 112.62 2h4i n ASN 638 Ca 0.09 -1.02 -0.41 0.00 0.87 0.00 0.00 54.58 54.11 2h4i n ASN 638 Cb 0.36 -2.96 -0.05 0.00 -1.02 0.00 0.00 39.78 36.11 2h4i n ASN 638 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2h4i s LEU 639 N -7.00 4.13 0.00 3.41 1.43 -1.26 -4.24 118.68 115.15 2h4i s LEU 639 Ca 0.02 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 2h4i s LEU 639 Cb -0.01 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.15 2h4i s LEU 639 CO 0.90 -0.38 0.00 0.18 0.23 0.00 0.00 176.35 177.28 2h4i n LEU 640 N 5.41 0.00 -3.97 1.79 4.77 -1.26 -4.78 117.00 118.96 2h4i n LEU 640 Ca 0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 2h4i n LEU 640 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2h4i n LEU 640 CO 0.46 0.00 -0.24 -0.36 -1.33 0.00 0.00 177.39 175.92 2h4i s PHE 641 N 0.00 0.31 0.45 -1.77 0.08 -1.26 -4.51 117.98 111.29 2h4i s PHE 641 Ca 0.00 -0.75 -0.24 0.00 0.12 0.00 0.00 56.93 56.06 2h4i s PHE 641 Cb 0.00 -0.21 -0.07 0.00 -0.57 0.00 0.00 43.02 42.16 2h4i s PHE 641 CO 0.00 -0.42 1.21 -0.80 -0.10 0.00 0.00 175.22 175.11 2h4i s ASN 642 N -2.66 6.12 0.56 1.36 0.01 -1.26 -4.36 114.94 114.72 2h4i s ASN 642 Ca 0.03 2.43 0.31 0.00 -0.71 0.00 0.00 52.86 54.91 2h4i s ASN 642 Cb 0.04 -2.61 1.70 0.00 0.41 0.00 0.00 41.25 40.78 2h4i s ASN 642 CO -0.09 -0.96 2.17 0.44 -1.51 0.00 0.00 177.10 177.15 2h4i h ASP 643 N 2.16 0.00 -0.37 -1.22 3.32 -1.89 -2.80 116.42 115.61 2h4i h ASP 643 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2h4i h ASP 643 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2h4i h ASP 643 CO 0.60 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 177.73 2h4i n ASN 644 N -3.60 2.53 -4.68 6.45 0.23 -1.26 -4.73 115.26 110.19 2h4i n ASN 644 Ca -0.02 -2.14 -0.42 0.00 -0.53 0.00 0.00 54.58 51.46 2h4i n ASN 644 Cb 0.17 -0.36 -0.03 0.00 -2.08 0.00 0.00 39.78 37.48 2h4i n ASN 644 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2h4i s THR 645 N -1.60 3.66 0.04 5.53 2.01 -1.06 -4.53 115.64 119.68 2h4i s THR 645 Ca 0.27 0.97 -0.14 0.00 0.31 0.00 0.00 61.69 63.10 2h4i s THR 645 Cb 0.16 -3.62 -0.34 0.00 0.01 0.00 0.00 72.50 68.70 2h4i s THR 645 CO 0.15 -0.03 1.03 -0.08 -0.69 0.00 0.00 174.62 175.00 2h4i h GLU 646 N 8.36 0.52 -1.68 4.92 4.81 -0.59 -3.46 114.58 127.47 2h4i h GLU 646 Ca -0.37 -0.87 0.28 0.00 -0.13 0.00 0.00 59.36 58.26 2h4i h GLU 646 Cb 1.17 0.32 -0.12 0.00 0.63 0.00 0.00 28.75 30.75 2h4i h GLU 646 CO 0.93 1.42 0.74 0.00 -0.73 0.00 0.00 179.01 181.36 2h4i s LEU 648 N -2.86 4.22 0.01 0.00 1.43 -1.26 -0.60 118.68 119.61 2h4i s LEU 648 Ca 0.13 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.78 2h4i s LEU 648 Cb 0.03 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2h4i s LEU 648 CO -0.03 0.03 0.10 0.00 0.23 0.00 0.00 176.35 176.69 2h4i s ALA 649 N 0.75 3.67 0.91 4.21 0.00 0.15 -4.62 121.76 126.83 2h4i s ALA 649 Ca 0.19 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2h4i s ALA 649 Cb -0.14 -1.63 0.14 0.00 0.00 0.00 0.00 23.12 21.49 2h4i s ALA 649 CO 0.06 0.71 1.12 0.15 0.00 0.00 0.00 175.76 177.80 2h4i s LYS 650 N -1.87 1.12 -0.25 0.00 1.02 0.27 -2.19 119.74 117.85 2h4i s LYS 650 Ca 0.25 1.34 -0.12 0.00 0.02 0.00 0.00 55.97 57.45 2h4i s LYS 650 Cb -0.12 -1.76 -0.15 0.00 -0.52 0.00 0.00 37.83 35.28 2h4i s LYS 650 CO 0.16 -2.49 -0.17 1.28 -0.92 0.00 0.00 175.35 173.22 2h4i n LEU 651 N -4.11 2.17 -0.98 3.17 4.77 -1.26 -4.79 117.00 115.96 2h4i n LEU 651 Ca 0.10 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2h4i n LEU 651 Cb 0.53 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 2h4i n LEU 651 CO 0.51 0.60 -0.11 0.61 -1.33 0.00 0.00 177.39 177.68 2h4i n GLY 652 N 1.52 -3.89 0.21 -0.72 0.00 -1.26 -4.79 105.19 96.25 2h4i n GLY 652 Ca -0.47 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2h4i n GLY 652 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h4i n GLY 653 N 0.43 0.77 3.16 -0.02 0.00 -1.26 -4.56 105.19 103.71 2h4i n GLY 653 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2h4i n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h4i n ARG 654 N -2.05 -0.54 -2.36 1.61 1.74 -1.26 -4.74 116.66 109.07 2h4i n ARG 654 Ca 0.00 -0.15 -0.35 0.00 -0.77 0.00 0.00 57.85 56.57 2h4i n ARG 654 Cb 0.00 0.08 -0.01 0.00 -1.02 0.00 0.00 32.46 31.51 2h4i n ARG 654 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2h4i s PRO 655 N -3.70 3.60 0.83 5.56 0.04 -1.26 -5.06 135.00 135.00 2h4i s PRO 655 Ca 0.03 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2h4i s PRO 655 Cb -0.02 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.51 2h4i s PRO 655 CO 0.12 -0.64 1.18 0.95 0.04 0.00 0.00 177.00 178.65 2h4i s THR 656 N -1.78 2.07 0.36 1.26 -4.23 -1.26 -4.74 115.64 107.31 2h4i s THR 656 Ca 0.69 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.15 2h4i s THR 656 Cb -0.22 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.83 2h4i s THR 656 CO 0.26 0.00 1.93 0.10 -0.54 0.00 0.00 174.62 176.37 2h4i h TYR 657 N -1.11 0.54 -0.43 3.99 -0.00 -1.95 0.26 116.97 118.27 2h4i h TYR 657 Ca -0.45 -0.03 -0.08 0.00 0.00 0.00 0.00 58.73 58.17 2h4i h TYR 657 Cb 1.29 -0.17 -0.01 0.00 0.00 0.00 0.00 36.73 37.84 2h4i h TYR 657 CO -0.16 0.48 -0.05 0.93 -0.00 0.00 0.00 178.16 179.35 2h4i h GLU 658 N 0.53 0.80 -0.49 0.10 5.08 -1.95 0.04 114.58 118.68 2h4i h GLU 658 Ca 0.12 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2h4i h GLU 658 Cb 0.21 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2h4i h GLU 658 CO -0.00 0.89 0.12 0.93 -1.00 0.00 0.00 179.01 179.95 2h4i h GLU 659 N 0.63 0.79 -0.02 2.33 5.08 -1.77 0.45 114.58 122.08 2h4i h GLU 659 Ca 0.12 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2h4i h GLU 659 Cb 0.57 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2h4i h GLU 659 CO 0.03 0.77 0.01 -0.92 -1.00 0.00 0.00 179.01 177.90 2h4i h TYR 660 N 0.67 0.02 0.00 4.33 3.20 -0.71 -2.60 116.97 121.88 2h4i h TYR 660 Ca 0.15 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2h4i h TYR 660 Cb 0.33 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2h4i h TYR 660 CO 0.02 0.04 -0.21 -0.07 -1.64 0.00 0.00 178.16 176.30 2h4i h LEU 661 N -0.00 0.00 0.00 2.82 3.38 -0.82 -3.48 115.31 117.21 2h4i h LEU 661 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h4i h LEU 661 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2h4i h LEU 661 CO -0.00 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.35 2h4i n GLY 662 N 0.24 -1.21 0.35 0.83 0.00 0.16 -4.31 105.19 101.25 2h4i n GLY 662 Ca 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.72 2h4i n GLY 662 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2h4i h THR 663 N 0.00 1.05 -0.02 2.61 2.02 -1.87 -2.20 112.91 114.49 2h4i h THR 663 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2h4i h THR 663 Cb 0.00 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 2h4i h THR 663 CO 0.00 0.15 -0.05 -0.33 0.37 0.00 0.00 175.52 175.65 2h4i h GLU 664 N 0.80 -0.05 -0.50 6.66 4.39 -1.95 -1.99 114.58 121.94 2h4i h GLU 664 Ca 0.31 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 2h4i h GLU 664 Cb 0.20 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2h4i h GLU 664 CO -0.10 -0.04 0.12 -0.92 -1.16 0.00 0.00 179.01 176.92 2h4i h TYR 665 N -0.06 0.77 -0.90 4.33 3.20 -1.72 -2.11 116.97 120.49 2h4i h TYR 665 Ca 0.00 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2h4i h TYR 665 Cb 0.07 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 2h4i h TYR 665 CO -0.47 0.65 0.54 0.28 -1.64 0.00 0.00 178.16 177.52 2h4i h VAL 666 N 0.73 1.25 -0.40 1.81 2.07 -1.32 -0.93 116.25 119.47 2h4i h VAL 666 Ca 0.16 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2h4i h VAL 666 Cb 0.27 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2h4i h VAL 666 CO -0.00 0.26 -0.24 0.00 0.02 0.00 0.00 177.57 177.61 2h4i h THR 667 N 1.24 1.27 0.22 2.57 1.03 -0.98 -1.43 112.91 116.83 2h4i h THR 667 Ca 0.32 -1.36 -0.01 0.00 -0.01 0.00 0.00 66.41 65.35 2h4i h THR 667 Cb -0.04 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.26 2h4i h THR 667 CO -0.06 0.46 -0.10 0.00 -0.01 0.00 0.00 175.52 175.80 2h4i h ALA 668 N 1.03 -0.29 -0.85 0.00 0.00 -0.60 -2.11 119.26 116.44 2h4i h ALA 668 Ca 0.09 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2h4i h ALA 668 Cb 0.76 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2h4i h ALA 668 CO 0.06 -0.66 0.56 0.82 0.00 0.00 0.00 179.25 180.03 2h4i h ILE 669 N -0.30 1.18 0.10 0.00 2.04 -1.12 -2.44 117.51 116.98 2h4i h ILE 669 Ca -0.03 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 2h4i h ILE 669 Cb 0.23 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 2h4i h ILE 669 CO 0.05 0.20 -0.06 0.00 0.00 0.00 0.00 178.15 178.35 2h4i h ALA 670 N 1.33 -0.14 0.00 1.87 0.00 -1.12 -0.34 119.26 120.86 2h4i h ALA 670 Ca 0.32 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2h4i h ALA 670 Cb -0.07 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2h4i h ALA 670 CO -0.09 -0.58 -0.02 -0.91 0.00 0.00 0.00 179.25 177.65 2h4i h ASN 671 N -0.15 0.00 0.32 0.00 2.35 -1.13 -2.67 115.58 114.30 2h4i h ASN 671 Ca -0.01 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.41 2h4i h ASN 671 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.51 2h4i h ASN 671 CO 0.01 0.02 -1.58 0.25 -1.65 0.00 0.00 177.43 174.49 2h4i h LEU 672 N 0.00 0.61 -1.56 1.61 5.85 -1.07 -3.34 115.31 117.41 2h4i h LEU 672 Ca -0.00 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.94 2h4i h LEU 672 Cb 0.04 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.87 2h4i h LEU 672 CO 0.00 1.64 0.00 0.11 -0.34 0.00 0.00 178.44 179.85 2h4i h LYS 673 N 0.11 0.00 0.00 1.25 1.79 -0.74 -2.52 116.57 116.45 2h4i h LYS 673 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2h4i h LYS 673 Cb 2.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.74 2h4i h LYS 673 CO 0.20 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 178.93 2h4i n LYS 674 N -2.87 0.33 0.06 3.15 2.85 -1.05 -2.59 118.16 118.03 2h4i n LYS 674 Ca 0.00 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.32 2h4i n LYS 674 Cb 0.24 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.07 2h4i n LYS 674 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2h4i h SER 676 N 0.00 0.00 0.00 0.00 0.02 -1.64 -3.50 113.55 108.43 2h4i h SER 676 Ca -0.11 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2h4i h SER 676 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2h4i h SER 676 CO 0.05 0.77 0.00 0.18 -1.14 0.00 0.00 176.83 176.69 2h4i n LEU 681 N -4.67 0.00 -3.99 5.07 4.32 -1.26 -5.17 117.00 111.30 2h4i n LEU 681 Ca -0.07 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.68 2h4i n LEU 681 Cb 0.23 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 41.87 2h4i n LEU 681 CO 0.11 0.00 -0.45 -1.83 -1.22 0.00 0.00 177.39 174.00 2h4i s GLU 682 N 0.00 1.45 0.00 3.23 -1.05 -1.26 -5.10 118.70 115.98 2h4i s GLU 682 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2h4i s GLU 682 Cb 0.00 -1.24 0.00 0.00 -0.44 0.00 0.00 34.13 32.45 2h4i s GLU 682 CO 0.00 0.01 0.00 0.00 0.95 0.00 0.00 175.26 176.22 2h4i n ALA 683 N 3.81 0.03 -2.26 -0.84 0.00 -1.26 -5.00 120.51 114.99 2h4i n ALA 683 Ca -0.23 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 2h4i n ALA 683 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2h4i n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h4i n ALA 685 N -0.40 2.22 -1.18 0.00 0.00 -1.26 -5.03 120.51 114.87 2h4i n ALA 685 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2h4i n ALA 685 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2h4i n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69