#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4i n ARG 359 N 0.00 2.43 -4.16 5.56 0.63 -1.26 -4.61 116.66 115.26 3d4i n ARG 359 Ca 0.00 0.86 -0.17 0.00 -0.92 0.00 0.00 57.85 57.62 3d4i n ARG 359 Cb 0.00 -2.54 -0.12 0.00 0.45 0.00 0.00 32.46 30.26 3d4i n ARG 359 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3d4i s GLY 360 N -0.07 0.82 -0.16 5.14 0.00 -0.74 -1.23 107.32 111.09 3d4i s GLY 360 Ca 0.57 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3d4i s GLY 360 CO 0.60 -1.06 -0.14 -0.42 0.00 0.00 0.00 173.10 172.08 3d4i s ILE 361 N -1.54 1.62 -0.32 0.90 -1.09 -0.17 -1.04 121.20 119.56 3d4i s ILE 361 Ca -0.01 -0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 57.69 3d4i s ILE 361 Cb -0.08 -1.54 0.06 0.00 -1.58 0.00 0.00 42.46 39.32 3d4i s ILE 361 CO 0.02 0.43 0.03 -0.22 -1.23 0.00 0.00 174.94 173.97 3d4i s LEU 362 N 1.46 4.12 -0.10 2.97 2.96 -0.28 -1.24 118.68 128.58 3d4i s LEU 362 Ca 0.04 -1.40 -0.21 0.00 -0.22 0.00 0.00 54.13 52.34 3d4i s LEU 362 Cb -0.13 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3d4i s LEU 362 CO -0.11 -0.30 0.60 -0.69 -1.32 0.00 0.00 176.35 174.53 3d4i s VAL 363 N 1.23 5.11 -0.08 1.68 1.01 0.16 -0.85 120.40 128.66 3d4i s VAL 363 Ca -0.03 1.22 0.01 0.00 0.00 0.00 0.00 61.98 63.18 3d4i s VAL 363 Cb -0.20 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.26 3d4i s VAL 363 CO -0.02 0.28 -0.09 -0.63 0.00 0.00 0.00 175.10 174.64 3d4i s ILE 364 N 0.78 0.96 0.28 2.22 1.01 -0.04 -1.27 121.20 125.15 3d4i s ILE 364 Ca 0.32 -0.32 -0.28 0.00 0.00 0.00 0.00 60.65 60.37 3d4i s ILE 364 Cb -0.16 -0.94 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 3d4i s ILE 364 CO 0.14 0.33 0.99 -0.60 0.00 0.00 0.00 174.94 175.80 3d4i s ARG 365 N 1.18 4.69 0.92 2.79 3.00 0.27 -0.91 118.95 130.88 3d4i s ARG 365 Ca -0.05 1.53 -0.11 0.00 -1.00 0.00 0.00 55.73 56.09 3d4i s ARG 365 Cb -0.14 -3.09 0.11 0.00 0.00 0.00 0.00 34.95 31.83 3d4i s ARG 365 CO -0.02 0.34 0.94 -2.39 0.00 0.00 0.00 175.30 174.17 3d4i n HIS 366 N 1.07 0.22 -1.48 5.12 1.44 -0.68 -1.45 115.22 119.46 3d4i n HIS 366 Ca -0.00 0.35 -0.27 0.00 -2.01 0.00 0.00 57.72 55.79 3d4i n HIS 366 Cb 0.47 -1.95 0.21 0.00 0.12 0.00 0.00 29.99 28.85 3d4i n HIS 366 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3d4i n GLY 367 N 0.65 -2.05 3.67 -1.39 0.00 -1.26 -3.01 105.19 101.79 3d4i n GLY 367 Ca 0.11 -1.61 -0.46 0.00 0.00 0.00 0.00 46.02 44.06 3d4i n GLY 367 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d4i n GLU 368 N -4.06 2.12 -3.34 1.61 2.13 -1.26 -4.91 120.64 112.94 3d4i n GLU 368 Ca 0.15 0.76 -0.35 0.00 0.66 0.00 0.00 57.16 58.38 3d4i n GLU 368 Cb 0.54 -2.52 -0.06 0.00 0.27 0.00 0.00 31.44 29.68 3d4i n GLU 368 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3d4i s ARG 369 N 0.72 3.99 0.33 5.31 0.52 -1.26 -1.78 118.95 126.77 3d4i s ARG 369 Ca 0.77 0.51 0.02 0.00 -0.52 0.00 0.00 55.73 56.51 3d4i s ARG 369 Cb -0.68 -2.89 0.60 0.00 0.52 0.00 0.00 34.95 32.50 3d4i s ARG 369 CO 0.40 0.45 1.95 -0.39 0.02 0.00 0.00 175.30 177.73 3d4i h VAL 370 N 2.70 1.10 0.00 3.52 -1.51 -1.67 -2.66 116.25 117.72 3d4i h VAL 370 Ca -0.48 -0.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 3d4i h VAL 370 Cb 1.19 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 3d4i h VAL 370 CO 0.66 0.17 0.00 -2.24 -1.23 0.00 0.00 177.57 174.93 3d4i h ASP 371 N 0.93 0.00 -0.01 4.19 2.03 -1.85 -1.43 116.42 120.28 3d4i h ASP 371 Ca 0.32 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.52 3d4i h ASP 371 Cb 0.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 3d4i h ASP 371 CO -0.10 0.00 -0.31 -0.61 -1.03 0.00 0.00 179.24 177.19 3d4i h GLN 372 N 0.00 0.46 0.03 4.15 4.15 -1.77 -0.47 115.11 121.66 3d4i h GLN 372 Ca 0.00 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 3d4i h GLN 372 Cb 0.56 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.22 3d4i h GLN 372 CO 0.00 0.72 -0.61 0.28 -1.93 0.00 0.00 178.83 177.29 3d4i h VAL 373 N 0.40 1.42 -0.02 2.39 2.07 -1.53 -3.41 116.25 117.57 3d4i h VAL 373 Ca 0.05 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3d4i h VAL 373 Cb 0.74 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 3d4i h VAL 373 CO 0.06 0.54 -0.27 0.49 0.02 0.00 0.00 177.57 178.41 3d4i n PHE 374 N -4.43 0.00 -0.05 1.57 3.72 -0.58 -5.08 117.46 112.60 3d4i n PHE 374 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 3d4i n PHE 374 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3d4i n PHE 374 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4i n GLY 375 N 1.26 -2.94 0.22 1.37 0.00 -0.19 -4.26 105.19 100.67 3d4i n GLY 375 Ca 0.10 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.45 3d4i n GLY 375 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d4i h LYS 376 N 0.00 0.00 -0.62 1.61 1.57 -1.97 -2.17 116.57 114.99 3d4i h LYS 376 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d4i h LYS 376 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3d4i h LYS 376 CO 0.00 0.18 0.00 -1.13 -0.57 0.00 0.00 179.45 177.93 3d4i n SER 377 N -4.33 2.41 -0.12 0.86 3.41 -1.26 -4.53 113.62 110.05 3d4i n SER 377 Ca -0.02 -2.23 0.17 0.00 -0.26 0.00 0.00 58.87 56.53 3d4i n SER 377 Cb 0.24 -0.42 0.55 0.00 -0.26 0.00 0.00 64.21 64.32 3d4i n SER 377 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3d4i h TRP 378 N 1.69 0.35 -0.49 7.33 5.08 -1.57 -0.92 115.95 127.43 3d4i h TRP 378 Ca 0.00 0.01 -0.08 0.00 1.08 0.00 0.00 58.89 59.90 3d4i h TRP 378 Cb 0.82 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 26.85 3d4i h TRP 378 CO 0.35 0.14 -0.02 -0.07 -1.28 0.00 0.00 178.44 177.56 3d4i h LEU 379 N 0.30 0.81 -1.39 0.11 3.38 -1.86 -2.30 115.31 114.36 3d4i h LEU 379 Ca 0.34 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3d4i h LEU 379 Cb 0.89 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3d4i h LEU 379 CO -0.09 0.89 0.44 1.56 0.09 0.00 0.00 178.44 181.33 3d4i h GLN 380 N 0.78 0.78 0.00 1.13 4.20 -1.50 -2.04 115.11 118.45 3d4i h GLN 380 Ca 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3d4i h GLN 380 Cb 0.50 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3d4i h GLN 380 CO 0.02 0.51 0.00 1.96 -0.67 0.00 0.00 178.83 180.66 3d4i h GLN 381 N 0.80 0.00 0.00 1.46 4.20 -1.34 -3.33 115.11 116.90 3d4i h GLN 381 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3d4i h GLN 381 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3d4i h GLN 381 CO -0.07 0.00 -0.02 0.00 -0.67 0.00 0.00 178.83 178.07 3d4i s THR 383 N -0.95 1.16 0.88 0.00 -4.23 -0.81 -0.14 115.64 111.56 3d4i s THR 383 Ca 0.04 -0.65 -0.10 0.00 -1.18 0.00 0.00 61.69 59.80 3d4i s THR 383 Cb 0.03 -0.97 0.19 0.00 1.34 0.00 0.00 72.50 73.09 3d4i s THR 383 CO 0.00 0.31 1.21 0.42 -0.54 0.00 0.00 174.62 176.03 3d4i s THR 384 N -0.37 2.02 0.11 3.99 -4.23 0.23 -4.87 115.64 112.52 3d4i s THR 384 Ca 0.05 -0.25 -0.25 0.00 -1.18 0.00 0.00 61.69 60.06 3d4i s THR 384 Cb -0.06 -2.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.94 3d4i s THR 384 CO -0.00 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.73 3d4i h ALA 385 N -1.26 -0.30 0.00 3.99 0.00 -1.99 -1.90 119.26 117.80 3d4i h ALA 385 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3d4i h ALA 385 Cb 1.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3d4i h ALA 385 CO 0.35 -0.71 0.00 -0.25 0.00 0.00 0.00 179.25 178.64 3d4i n ASP 386 N -5.33 0.00 -1.27 0.00 9.92 -1.26 -4.76 116.55 113.85 3d4i n ASP 386 Ca -0.06 -0.31 -0.13 0.00 -0.53 0.00 0.00 54.79 53.77 3d4i n ASP 386 Cb 0.24 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.70 3d4i n ASP 386 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d4i n GLY 387 N -0.39 0.37 3.84 0.44 0.00 -0.71 -5.01 105.19 103.74 3d4i n GLY 387 Ca 0.01 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3d4i n GLY 387 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4i s LYS 388 N -4.08 4.02 0.00 1.61 2.20 -1.26 -4.77 119.74 117.46 3d4i s LYS 388 Ca 0.00 0.60 -0.20 0.00 -0.36 0.00 0.00 55.97 56.00 3d4i s LYS 388 Cb 0.00 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 3d4i s LYS 388 CO 0.00 0.34 0.59 -0.47 -0.36 0.00 0.00 175.35 175.45 3d4i s TYR 389 N -1.69 3.69 0.14 4.03 5.04 -1.26 -0.61 117.35 126.70 3d4i s TYR 389 Ca 0.45 1.21 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 3d4i s TYR 389 Cb -0.13 -2.60 -0.04 0.00 0.35 0.00 0.00 41.96 39.53 3d4i s TYR 389 CO 0.20 0.37 0.02 1.52 -1.34 0.00 0.00 175.55 176.32 3d4i s TYR 390 N -0.25 0.96 -0.57 4.97 1.13 0.81 -4.98 117.35 119.43 3d4i s TYR 390 Ca 0.31 -1.13 -0.07 0.00 -1.41 0.00 0.00 57.07 54.77 3d4i s TYR 390 Cb -0.18 -0.55 0.15 0.00 -1.10 0.00 0.00 41.96 40.27 3d4i s TYR 390 CO 0.17 -0.38 0.42 1.03 -2.51 0.00 0.00 175.55 174.29 3d4i s ARG 391 N -3.98 2.63 0.49 -3.49 0.52 -1.26 -4.60 118.95 109.26 3d4i s ARG 391 Ca 0.22 -2.11 0.28 0.00 -0.52 0.00 0.00 55.73 53.60 3d4i s ARG 391 Cb 0.07 -3.91 1.15 0.00 0.52 0.00 0.00 34.95 32.78 3d4i s ARG 391 CO 0.01 -1.19 1.91 -1.00 0.02 0.00 0.00 175.30 175.06 3d4i h PRO 392 N 7.88 0.00 -3.37 3.54 0.13 -1.93 -3.45 132.00 134.80 3d4i h PRO 392 Ca -0.09 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.89 3d4i h PRO 392 Cb 1.03 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.94 3d4i h PRO 392 CO 0.78 0.13 -0.46 0.34 -0.23 0.00 0.00 178.00 178.57 3d4i s ASP 393 N -6.00 -0.07 0.54 1.44 -1.08 -1.26 -5.06 116.67 105.18 3d4i s ASP 393 Ca 0.00 0.01 0.36 0.00 -0.52 0.00 0.00 52.55 52.41 3d4i s ASP 393 Cb 0.10 0.28 1.90 0.00 -1.46 0.00 0.00 42.92 43.75 3d4i s ASP 393 CO 0.59 -0.30 2.10 -0.07 0.52 0.00 0.00 175.17 178.02 3d4i h LEU 394 N 4.66 0.00 0.00 -1.34 3.38 -2.00 -1.76 115.31 118.25 3d4i h LEU 394 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3d4i h LEU 394 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3d4i h LEU 394 CO 0.40 0.00 -0.10 -3.20 0.09 0.00 0.00 178.44 175.63 3d4i n ASN 395 N -2.81 0.52 -4.77 -0.43 5.15 -1.26 -4.64 115.26 107.02 3d4i n ASN 395 Ca -0.02 0.45 -0.38 0.00 -0.60 0.00 0.00 54.58 54.03 3d4i n ASN 395 Cb 0.09 -0.53 -0.03 0.00 -0.53 0.00 0.00 39.78 38.78 3d4i n ASN 395 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 396 N -3.07 3.28 0.87 1.20 0.40 -0.66 -0.92 117.98 119.08 3d4i s PHE 396 Ca 0.11 1.62 -0.12 0.00 -0.60 0.00 0.00 56.93 57.95 3d4i s PHE 396 Cb 0.15 -3.28 0.11 0.00 0.51 0.00 0.00 43.02 40.52 3d4i s PHE 396 CO 0.59 -0.88 1.10 -1.25 0.70 0.00 0.00 175.22 175.49 3d4i s PRO 397 N -2.11 1.46 0.25 0.24 0.04 -1.26 -4.61 135.00 129.01 3d4i s PRO 397 Ca 0.54 0.66 -0.04 0.00 0.04 0.00 0.00 61.00 62.20 3d4i s PRO 397 Cb -0.28 -1.84 0.41 0.00 0.04 0.00 0.00 34.50 32.82 3d4i s PRO 397 CO 0.36 -2.06 1.81 0.00 0.04 0.00 0.00 177.00 177.15 3d4i h ARG 398 N -1.41 0.80 -3.42 4.56 2.47 -1.96 -3.45 114.38 111.97 3d4i h ARG 398 Ca -0.49 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.16 3d4i h ARG 398 Cb 1.29 -0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 29.34 3d4i h ARG 398 CO 0.57 0.53 -0.01 -1.54 0.56 0.00 0.00 179.97 180.08 3d4i s SER 399 N -5.62 -0.17 -0.02 7.04 1.04 -1.26 -4.90 113.70 109.80 3d4i s SER 399 Ca -0.12 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.60 3d4i s SER 399 Cb 0.20 0.61 -0.03 0.00 0.10 0.00 0.00 66.02 66.89 3d4i s SER 399 CO 0.78 -1.15 -0.02 -0.76 0.98 0.00 0.00 173.24 173.08 3d4i s LEU 400 N -2.95 3.41 0.64 2.42 1.43 -1.26 -5.12 118.68 117.25 3d4i s LEU 400 Ca 0.16 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3d4i s LEU 400 Cb -0.02 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3d4i s LEU 400 CO 0.05 0.30 1.17 -2.16 0.23 0.00 0.00 176.35 175.93 3d4i s PRO 401 N -1.39 2.74 0.28 1.29 0.04 -1.26 -4.95 135.00 131.75 3d4i s PRO 401 Ca 0.18 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 3d4i s PRO 401 Cb -0.11 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 3d4i s PRO 401 CO 0.08 -1.34 1.53 1.03 0.04 0.00 0.00 177.00 178.33 3d4i s ARG 402 N -3.72 4.18 -0.02 4.56 0.52 -1.26 -4.99 118.95 118.22 3d4i s ARG 402 Ca 0.73 2.46 -0.05 0.00 -0.52 0.00 0.00 55.73 58.35 3d4i s ARG 402 Cb -0.26 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.16 3d4i s ARG 402 CO 0.38 -0.54 0.12 0.50 0.02 0.00 0.00 175.30 175.78 3d4i s ARG 403 N -0.49 0.32 0.44 3.54 3.52 -1.26 -4.92 118.95 120.10 3d4i s ARG 403 Ca 0.61 -0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.80 3d4i s ARG 403 Cb -0.45 0.14 -0.09 0.00 -1.56 0.00 0.00 34.95 32.98 3d4i s ARG 403 CO 0.46 -0.07 1.37 0.45 -0.81 0.00 0.00 175.30 176.71 3d4i n SER 404 N 2.16 3.05 -1.66 -2.12 2.88 -1.26 -2.91 113.62 113.76 3d4i n SER 404 Ca -0.18 1.12 -0.15 0.00 -1.33 0.00 0.00 58.87 58.33 3d4i n SER 404 Cb 0.57 -1.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.46 3d4i n SER 404 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3d4i n ASN 405 N -0.01 -4.49 0.00 -3.46 5.03 -1.26 -4.68 115.26 106.40 3d4i n ASN 405 Ca 0.06 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.51 3d4i n ASN 405 Cb 0.41 -3.62 0.00 0.00 -1.02 0.00 0.00 39.78 35.54 3d4i n ASN 405 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3d4i n GLY 406 N -1.02 2.94 0.01 7.41 0.00 -1.15 -3.50 105.19 109.89 3d4i n GLY 406 Ca -0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.65 3d4i n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d4i n ILE 407 N 0.00 0.00 0.09 -0.61 2.08 -1.26 -4.43 119.36 115.23 3d4i n ILE 407 Ca 0.00 -0.01 0.07 0.00 0.56 0.00 0.00 62.75 63.37 3d4i n ILE 407 Cb 0.00 0.78 0.52 0.00 -0.75 0.00 0.00 39.64 40.19 3d4i n ILE 407 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3d4i h LYS 408 N 0.06 0.30 0.00 0.38 1.57 -1.89 -2.51 116.57 114.49 3d4i h LYS 408 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3d4i h LYS 408 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3d4i h LYS 408 CO 0.00 0.20 0.00 -0.44 -0.57 0.00 0.00 179.45 178.64 3d4i h ASP 409 N 0.31 0.00 0.42 0.86 3.32 -1.79 -2.93 116.42 116.62 3d4i h ASP 409 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3d4i h ASP 409 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3d4i h ASP 409 CO -0.02 0.00 -0.15 -0.26 -1.72 0.00 0.00 179.24 177.09 3d4i h PHE 410 N 0.00 0.00 -0.57 4.55 0.04 -1.69 -2.95 116.94 116.32 3d4i h PHE 410 Ca 0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 3d4i h PHE 410 Cb 0.56 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.60 3d4i h PHE 410 CO 0.00 0.15 -0.35 1.49 -0.60 0.00 0.00 178.31 179.00 3d4i h GLU 411 N 0.00 -0.18 -0.02 1.51 4.57 -1.70 -1.85 114.58 116.91 3d4i h GLU 411 Ca -0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3d4i h GLU 411 Cb 0.40 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 3d4i h GLU 411 CO 0.02 -0.12 -0.04 0.09 -1.18 0.00 0.00 179.01 177.78 3d4i n ASN 412 N -5.43 2.02 -3.06 1.04 3.02 -1.14 -4.54 115.26 107.18 3d4i n ASN 412 Ca 0.03 -1.64 -0.17 0.00 -0.03 0.00 0.00 54.58 52.77 3d4i n ASN 412 Cb 0.35 0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.53 3d4i n ASN 412 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3d4i n ASP 413 N 0.53 -0.41 -4.79 6.41 2.03 -0.75 -4.90 116.55 114.67 3d4i n ASP 413 Ca 0.16 -3.04 -0.34 0.00 0.52 0.00 0.00 54.79 52.10 3d4i n ASP 413 Cb 0.45 0.10 -0.00 0.00 -0.72 0.00 0.00 41.12 40.94 3d4i n ASP 413 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3d4i s PRO 414 N -1.13 3.43 0.83 -0.67 0.04 -0.88 -4.58 135.00 132.04 3d4i s PRO 414 Ca 0.34 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.65 3d4i s PRO 414 Cb 0.26 -2.04 0.10 0.00 0.04 0.00 0.00 34.50 32.86 3d4i s PRO 414 CO -0.11 -0.74 1.19 -1.25 0.04 0.00 0.00 177.00 176.13 3d4i s PRO 415 N -3.58 1.79 0.49 0.56 0.04 -1.26 -3.57 135.00 129.47 3d4i s PRO 415 Ca 0.68 0.01 -0.22 0.00 0.04 0.00 0.00 61.00 61.51 3d4i s PRO 415 Cb -0.19 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3d4i s PRO 415 CO 0.29 -1.70 1.22 -0.51 0.04 0.00 0.00 177.00 176.35 3d4i s LEU 416 N -5.61 3.94 0.96 -3.56 1.43 -1.26 -2.02 118.68 112.56 3d4i s LEU 416 Ca 0.64 2.44 -0.14 0.00 -1.03 0.00 0.00 54.13 56.04 3d4i s LEU 416 Cb -0.10 -4.28 0.17 0.00 0.03 0.00 0.00 46.19 42.01 3d4i s LEU 416 CO 0.49 -1.15 1.15 -0.94 0.23 0.00 0.00 176.35 176.13 3d4i s SER 417 N -1.27 3.05 0.25 2.29 1.04 -0.73 -4.54 113.70 113.79 3d4i s SER 417 Ca 0.67 0.87 -0.03 0.00 0.48 0.00 0.00 55.95 57.93 3d4i s SER 417 Cb -0.32 -1.35 0.40 0.00 0.10 0.00 0.00 66.02 64.84 3d4i s SER 417 CO 0.38 -2.83 1.85 0.28 0.98 0.00 0.00 173.24 173.90 3d4i h SER 418 N -1.69 0.89 -0.59 7.02 0.02 -1.28 -1.62 113.55 116.29 3d4i h SER 418 Ca -0.50 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 3d4i h SER 418 Cb 1.32 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 3d4i h SER 418 CO 0.56 0.54 0.05 0.00 -1.14 0.00 0.00 176.83 176.85 3d4i h GLY 420 N 0.90 1.06 1.00 0.00 0.00 -1.57 -0.14 103.07 104.32 3d4i h GLY 420 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3d4i h GLY 420 CO 0.02 0.14 0.03 -2.22 0.00 0.00 0.00 176.54 174.51 3d4i h ILE 421 N 0.70 1.02 -0.44 2.60 2.04 -1.06 -1.60 117.51 120.76 3d4i h ILE 421 Ca 0.33 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.24 3d4i h ILE 421 Cb 0.25 0.95 -0.07 0.00 -0.74 0.00 0.00 36.82 37.21 3d4i h ILE 421 CO -0.21 0.01 -0.01 0.15 0.00 0.00 0.00 178.15 178.09 3d4i h PHE 422 N 0.06 -0.05 -0.43 1.37 3.57 -0.88 0.13 116.94 120.72 3d4i h PHE 422 Ca 0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3d4i h PHE 422 Cb -0.00 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3d4i h PHE 422 CO -0.07 -0.10 0.25 1.96 -2.23 0.00 0.00 178.31 178.11 3d4i h GLN 423 N 0.10 0.59 -0.49 1.11 4.20 -0.86 0.51 115.11 120.27 3d4i h GLN 423 Ca 0.22 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3d4i h GLN 423 Cb 0.32 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3d4i h GLN 423 CO -0.38 0.45 0.21 0.00 -0.67 0.00 0.00 178.83 178.45 3d4i h ALA 424 N 1.10 0.63 -0.69 3.87 0.00 -1.02 -1.53 119.26 121.62 3d4i h ALA 424 Ca 0.15 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3d4i h ALA 424 Cb 0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3d4i h ALA 424 CO -0.03 0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.56 3d4i h ARG 425 N 0.64 1.13 -0.63 0.00 3.08 -0.74 -0.69 114.38 117.17 3d4i h ARG 425 Ca 0.16 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3d4i h ARG 425 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3d4i h ARG 425 CO -0.02 1.02 0.29 1.25 -1.07 0.00 0.00 179.97 181.45 3d4i h LEU 426 N 1.06 0.83 -0.47 3.04 5.85 -0.75 0.10 115.31 124.98 3d4i h LEU 426 Ca 0.21 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3d4i h LEU 426 Cb 0.43 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3d4i h LEU 426 CO 0.01 0.74 0.13 0.00 -0.34 0.00 0.00 178.44 178.98 3d4i h ALA 427 N 1.13 0.62 -0.19 1.25 0.00 -1.11 -1.27 119.26 119.68 3d4i h ALA 427 Ca 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3d4i h ALA 427 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3d4i h ALA 427 CO -0.03 0.29 0.10 0.78 0.00 0.00 0.00 179.25 180.40 3d4i h GLY 428 N 0.63 0.26 0.71 0.00 0.00 -0.81 0.47 103.07 104.32 3d4i h GLY 428 Ca 0.15 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.47 3d4i h GLY 428 CO -0.00 0.07 0.55 -2.09 0.00 0.00 0.00 176.54 175.07 3d4i h GLU 429 N 0.22 0.97 -0.66 4.80 4.81 -0.73 -0.45 114.58 123.53 3d4i h GLU 429 Ca 0.08 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3d4i h GLU 429 Cb 0.01 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 3d4i h GLU 429 CO -0.04 0.64 0.23 0.00 -0.73 0.00 0.00 179.01 179.10 3d4i h ALA 430 N 1.42 0.86 -0.82 2.92 0.00 -0.80 -0.84 119.26 122.00 3d4i h ALA 430 Ca 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3d4i h ALA 430 Cb 0.18 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3d4i h ALA 430 CO -0.18 0.51 0.52 -0.07 0.00 0.00 0.00 179.25 180.02 3d4i h LEU 431 N 0.94 0.96 -0.09 0.00 3.38 -0.25 -0.49 115.31 119.76 3d4i h LEU 431 Ca 0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3d4i h LEU 431 Cb 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 3d4i h LEU 431 CO -0.01 0.72 0.05 0.25 0.09 0.00 0.00 178.44 179.54 3d4i h LEU 432 N 1.11 0.11 -1.50 1.67 5.85 -0.80 -3.06 115.31 118.70 3d4i h LEU 432 Ca 0.30 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3d4i h LEU 432 Cb -0.08 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3d4i h LEU 432 CO -0.06 0.14 0.37 0.44 -0.34 0.00 0.00 178.44 178.99 3d4i h ASP 433 N 0.08 0.57 0.29 1.25 3.32 -0.80 -2.21 116.42 118.91 3d4i h ASP 433 Ca 0.03 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3d4i h ASP 433 Cb 0.05 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3d4i h ASP 433 CO -0.01 0.39 -0.09 0.77 -1.72 0.00 0.00 179.24 178.59 3d4i h SER 434 N 0.66 0.00 -0.02 6.45 4.64 -0.99 -3.46 113.55 120.83 3d4i h SER 434 Ca 0.22 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3d4i h SER 434 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3d4i h SER 434 CO -0.06 0.09 -0.01 0.61 -0.87 0.00 0.00 176.83 176.60 3d4i n GLY 435 N -0.81 0.46 3.79 -0.77 0.00 -0.83 -5.03 105.19 101.99 3d4i n GLY 435 Ca -0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3d4i n GLY 435 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3d4i s VAL 436 N -1.92 3.55 -0.47 1.61 -7.23 -1.25 -5.00 120.40 109.68 3d4i s VAL 436 Ca 0.00 0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 60.68 3d4i s VAL 436 Cb 0.00 -3.21 0.08 0.00 0.56 0.00 0.00 36.38 33.81 3d4i s VAL 436 CO 0.00 -0.50 0.39 -0.60 -0.31 0.00 0.00 175.10 174.08 3d4i s ARG 437 N -4.32 2.96 -0.14 4.82 3.52 -1.26 -4.94 118.95 119.60 3d4i s ARG 437 Ca 0.64 -1.38 -0.23 0.00 -0.13 0.00 0.00 55.73 54.63 3d4i s ARG 437 Cb -0.18 -4.12 -0.03 0.00 -1.56 0.00 0.00 34.95 29.06 3d4i s ARG 437 CO 0.44 -1.04 0.69 0.08 -0.81 0.00 0.00 175.30 174.66 3d4i s VAL 438 N 1.63 5.01 -0.13 7.11 1.01 -1.26 -0.42 120.40 133.34 3d4i s VAL 438 Ca 0.04 1.37 0.10 0.00 0.00 0.00 0.00 61.98 63.49 3d4i s VAL 438 Cb -0.25 -4.02 -0.15 0.00 0.00 0.00 0.00 36.38 31.97 3d4i s VAL 438 CO 0.06 0.16 0.02 0.41 0.00 0.00 0.00 175.10 175.75 3d4i n THR 439 N 4.29 0.88 -3.46 3.92 -1.04 0.11 -4.87 114.28 114.10 3d4i n THR 439 Ca -0.00 -0.52 -0.12 0.00 -2.04 0.00 0.00 64.05 61.36 3d4i n THR 439 Cb 0.50 -0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 68.28 3d4i n THR 439 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3d4i s ALA 440 N -2.31 -1.53 -0.04 2.41 0.00 -1.23 -5.02 121.76 114.03 3d4i s ALA 440 Ca -0.08 0.51 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 3d4i s ALA 440 Cb 0.04 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.95 3d4i s ALA 440 CO 0.51 -0.71 0.01 0.08 0.00 0.00 0.00 175.76 175.65 3d4i s VAL 441 N -3.46 0.17 -0.06 0.00 1.01 -1.26 -1.49 120.40 115.32 3d4i s VAL 441 Ca -0.00 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3d4i s VAL 441 Cb -0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3d4i s VAL 441 CO -0.10 0.18 -0.13 -0.36 0.00 0.00 0.00 175.10 174.69 3d4i s PHE 442 N 1.48 2.75 0.02 5.22 0.40 0.08 -1.10 117.98 126.84 3d4i s PHE 442 Ca -0.03 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 3d4i s PHE 442 Cb -0.13 -1.66 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 3d4i s PHE 442 CO -0.03 0.19 -0.10 0.00 0.70 0.00 0.00 175.22 175.98 3d4i s ALA 443 N -0.69 0.85 0.66 5.36 0.00 -0.05 -0.49 121.76 127.41 3d4i s ALA 443 Ca 0.10 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.28 3d4i s ALA 443 Cb -0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3d4i s ALA 443 CO 0.01 0.15 0.96 0.45 0.00 0.00 0.00 175.76 177.34 3d4i n SER 444 N 2.23 0.63 0.11 0.00 2.88 -0.56 -0.79 113.62 118.12 3d4i n SER 444 Ca -0.17 0.74 0.12 0.00 -1.33 0.00 0.00 58.87 58.22 3d4i n SER 444 Cb 0.56 -1.40 0.47 0.00 -0.75 0.00 0.00 64.21 63.09 3d4i n SER 444 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d4i n PRO 445 N -1.42 0.18 -1.64 -1.46 -0.04 -1.26 -3.94 135.00 125.41 3d4i n PRO 445 Ca 0.14 0.38 -0.50 0.00 -0.04 0.00 0.00 63.50 63.48 3d4i n PRO 445 Cb 0.48 -1.83 -0.05 0.00 -0.04 0.00 0.00 33.50 32.07 3d4i n PRO 445 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4i n ALA 446 N -1.75 0.16 -0.26 0.55 0.00 -1.26 -4.59 120.51 113.35 3d4i n ALA 446 Ca 0.03 0.46 0.06 0.00 0.00 0.00 0.00 53.44 53.98 3d4i n ALA 446 Cb 0.24 -2.23 0.16 0.00 0.00 0.00 0.00 19.45 17.62 3d4i n ALA 446 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d4i h LEU 447 N 5.67 -0.38 -2.11 0.00 5.85 -1.83 -0.56 115.31 121.94 3d4i h LEU 447 Ca -0.47 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3d4i h LEU 447 Cb 1.30 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.68 3d4i h LEU 447 CO 0.85 -0.20 0.16 0.08 -0.34 0.00 0.00 178.44 178.99 3d4i h ARG 448 N 0.09 0.00 0.14 1.25 0.11 -1.88 0.19 114.38 114.27 3d4i h ARG 448 Ca 0.42 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.26 3d4i h ARG 448 Cb 0.75 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.84 3d4i h ARG 448 CO -0.69 0.00 -1.14 0.00 0.10 0.00 0.00 179.97 178.23 3d4i h VAL 450 N -0.30 1.25 -0.31 0.00 2.07 -0.99 -1.08 116.25 116.89 3d4i h VAL 450 Ca -0.23 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 3d4i h VAL 450 Cb 1.74 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3d4i h VAL 450 CO 0.12 0.32 0.17 1.56 0.02 0.00 0.00 177.57 179.76 3d4i h GLN 451 N 1.06 0.44 -0.43 1.57 4.20 -0.75 -0.72 115.11 120.48 3d4i h GLN 451 Ca 0.24 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.95 3d4i h GLN 451 Cb 0.22 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 3d4i h GLN 451 CO -0.02 0.38 0.15 1.15 -0.67 0.00 0.00 178.83 179.83 3d4i h THR 452 N 0.38 0.87 -0.37 -0.54 2.02 -1.20 -1.68 112.91 112.39 3d4i h THR 452 Ca 0.11 -0.11 0.04 0.00 0.77 0.00 0.00 66.41 67.22 3d4i h THR 452 Cb 0.07 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 3d4i h THR 452 CO -0.02 0.06 0.13 0.00 0.37 0.00 0.00 175.52 176.06 3d4i h ALA 453 N 1.28 0.43 -0.44 6.16 0.00 -0.93 -1.18 119.26 124.59 3d4i h ALA 453 Ca 0.20 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3d4i h ALA 453 Cb 0.19 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3d4i h ALA 453 CO -0.20 -0.26 0.28 -0.22 0.00 0.00 0.00 179.25 178.84 3d4i h LYS 454 N 0.28 0.55 -0.43 0.00 3.64 -0.89 -0.89 116.57 118.83 3d4i h LYS 454 Ca 0.17 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3d4i h LYS 454 Cb 0.14 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3d4i h LYS 454 CO -0.17 0.36 -0.16 0.45 -2.27 0.00 0.00 179.45 177.66 3d4i h HIS 455 N 0.57 0.92 -0.28 1.91 3.86 -1.05 0.06 115.15 121.13 3d4i h HIS 455 Ca 0.17 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3d4i h HIS 455 Cb -0.04 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 3d4i h HIS 455 CO -0.05 0.92 0.13 0.82 0.86 0.00 0.00 177.93 180.60 3d4i h ILE 456 N 0.73 1.15 -0.55 2.45 2.04 -1.12 -2.88 117.51 119.33 3d4i h ILE 456 Ca 0.11 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3d4i h ILE 456 Cb 0.67 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3d4i h ILE 456 CO 0.05 0.16 0.13 -0.07 0.00 0.00 0.00 178.15 178.42 3d4i h LEU 457 N 0.31 0.79 -0.29 1.44 3.38 -0.75 -2.17 115.31 118.02 3d4i h LEU 457 Ca 0.09 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3d4i h LEU 457 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3d4i h LEU 457 CO -0.01 0.78 0.13 -0.33 0.09 0.00 0.00 178.44 179.09 3d4i h GLU 458 N 0.82 0.27 0.00 1.13 5.08 -0.93 0.65 114.58 121.60 3d4i h GLU 458 Ca 0.18 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3d4i h GLU 458 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3d4i h GLU 458 CO -0.00 0.18 -0.33 0.93 -1.00 0.00 0.00 179.01 178.79 3d4i h GLU 459 N 0.28 0.00 0.00 2.33 4.39 -1.34 -1.87 114.58 118.37 3d4i h GLU 459 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3d4i h GLU 459 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3d4i h GLU 459 CO -0.10 0.33 0.00 1.25 -1.16 0.00 0.00 179.01 179.33 3d4i h LEU 460 N 0.00 0.00 0.72 1.33 5.85 -1.04 -3.41 115.31 118.76 3d4i h LEU 460 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3d4i h LEU 460 Cb 0.76 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3d4i h LEU 460 CO 0.04 0.00 -0.14 0.29 -0.34 0.00 0.00 178.44 178.30 3d4i n LYS 461 N -2.93 -0.43 -0.09 1.25 5.02 -0.04 -4.95 118.16 116.00 3d4i n LYS 461 Ca 0.04 0.31 0.03 0.00 -2.02 0.00 0.00 58.31 56.67 3d4i n LYS 461 Cb 0.48 -4.11 0.08 0.00 -0.02 0.00 0.00 35.03 31.46 3d4i n LYS 461 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3d4i n LEU 462 N -0.77 2.37 -0.26 -0.35 4.32 0.02 -4.77 117.00 117.56 3d4i n LEU 462 Ca -0.06 -1.80 0.05 0.00 -0.02 0.00 0.00 56.01 54.18 3d4i n LEU 462 Cb 0.51 -0.11 0.19 0.00 -1.62 0.00 0.00 43.42 42.38 3d4i n LEU 462 CO 0.08 0.58 1.02 -0.33 -1.22 0.00 0.00 177.39 177.52 3d4i h GLU 463 N 1.27 0.45 0.00 3.23 3.07 -1.82 0.23 114.58 121.00 3d4i h GLU 463 Ca 0.00 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 58.64 3d4i h GLU 463 Cb 0.57 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.35 3d4i h GLU 463 CO 0.00 0.30 -1.49 1.63 -1.40 0.00 0.00 179.01 178.04 3d4i n LYS 464 N -4.99 0.62 0.08 2.33 4.76 -1.26 -4.30 118.16 115.40 3d4i n LYS 464 Ca 0.14 0.23 -0.22 0.00 -2.87 0.00 0.00 58.31 55.60 3d4i n LYS 464 Cb 0.41 -1.80 -0.13 0.00 -1.84 0.00 0.00 35.03 31.67 3d4i n LYS 464 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3d4i h LYS 465 N 0.00 0.58 -5.97 1.97 3.64 -1.67 -3.45 116.57 111.67 3d4i h LYS 465 Ca -0.19 -0.77 -0.68 0.00 -1.27 0.00 0.00 60.65 57.74 3d4i h LYS 465 Cb 1.67 0.25 -0.24 0.00 -0.41 0.00 0.00 32.23 33.51 3d4i h LYS 465 CO 0.05 1.34 -0.76 -0.51 -2.27 0.00 0.00 179.45 177.30 3d4i s LEU 466 N -7.92 2.78 -0.06 5.20 1.43 0.74 -5.12 118.68 115.73 3d4i s LEU 466 Ca -0.10 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3d4i s LEU 466 Cb 0.05 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3d4i s LEU 466 CO 0.91 0.29 0.37 -0.54 0.23 0.00 0.00 176.35 177.61 3d4i s LYS 467 N -0.37 4.00 -0.11 1.70 3.01 -1.26 -4.70 119.74 122.00 3d4i s LYS 467 Ca 0.04 0.31 -0.30 0.00 -1.01 0.00 0.00 55.97 55.01 3d4i s LYS 467 Cb -0.12 -3.29 -0.03 0.00 -1.01 0.00 0.00 37.83 33.38 3d4i s LYS 467 CO 0.02 0.54 1.38 0.42 0.51 0.00 0.00 175.35 178.22 3d4i s ILE 468 N -0.54 4.02 -0.43 2.17 1.01 -0.49 -4.46 121.20 122.47 3d4i s ILE 468 Ca 0.22 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.94 3d4i s ILE 468 Cb -0.15 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.53 3d4i s ILE 468 CO 0.10 -0.09 0.56 -0.13 0.00 0.00 0.00 174.94 175.39 3d4i s ARG 469 N 3.42 3.20 -0.19 2.79 0.52 -0.26 -0.58 118.95 127.85 3d4i s ARG 469 Ca 0.61 -0.53 -0.25 0.00 -0.52 0.00 0.00 55.73 55.04 3d4i s ARG 469 Cb -0.26 -3.96 -0.01 0.00 0.52 0.00 0.00 34.95 31.23 3d4i s ARG 469 CO 0.21 -0.96 0.82 0.08 0.02 0.00 0.00 175.30 175.47 3d4i s VAL 470 N 2.55 4.88 -0.36 3.52 1.01 -1.26 -0.87 120.40 129.86 3d4i s VAL 470 Ca 0.18 1.59 0.02 0.00 0.00 0.00 0.00 61.98 63.77 3d4i s VAL 470 Cb -0.15 -4.12 0.11 0.00 0.00 0.00 0.00 36.38 32.21 3d4i s VAL 470 CO 0.17 0.00 0.12 -0.70 0.00 0.00 0.00 175.10 174.69 3d4i s GLU 471 N 2.33 1.17 0.50 2.72 2.56 0.03 -4.68 118.70 123.32 3d4i s GLU 471 Ca 0.37 -1.63 0.34 0.00 0.00 0.00 0.00 54.97 54.04 3d4i s GLU 471 Cb -0.16 -2.55 1.79 0.00 2.00 0.00 0.00 34.13 35.20 3d4i s GLU 471 CO 0.11 -1.01 2.02 -1.35 -0.56 0.00 0.00 175.26 174.47 3d4i h PRO 472 N 7.56 0.00 0.00 4.30 0.11 -1.83 -1.42 132.00 140.72 3d4i h PRO 472 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 3d4i h PRO 472 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3d4i h PRO 472 CO 0.51 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.08 3d4i h GLY 473 N 0.22 0.00 -1.22 -0.55 0.00 -1.91 -1.94 103.07 97.67 3d4i h GLY 473 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d4i h GLY 473 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.83 3d4i n ILE 474 N -2.54 2.08 -0.93 2.60 -5.35 -0.54 -4.18 119.36 110.51 3d4i n ILE 474 Ca -0.01 -1.87 -0.31 0.00 -0.27 0.00 0.00 62.75 60.30 3d4i n ILE 474 Cb 0.12 -0.18 0.15 0.00 -1.74 0.00 0.00 39.64 37.99 3d4i n ILE 474 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3d4i s PHE 475 N -2.65 1.99 0.70 4.28 5.36 -0.73 -4.56 117.98 122.36 3d4i s PHE 475 Ca 0.38 1.59 -0.16 0.00 -0.96 0.00 0.00 56.93 57.77 3d4i s PHE 475 Cb 0.30 -3.20 -0.01 0.00 -0.34 0.00 0.00 43.02 39.77 3d4i s PHE 475 CO 0.08 -2.54 0.84 -1.91 -1.46 0.00 0.00 175.22 170.23 3d4i n GLU 476 N -4.03 0.49 -1.68 10.12 4.07 -1.26 -4.88 120.64 123.47 3d4i n GLU 476 Ca 0.09 0.22 -0.47 0.00 -0.06 0.00 0.00 57.16 56.94 3d4i n GLU 476 Cb 0.53 -2.09 -0.04 0.00 -0.06 0.00 0.00 31.44 29.77 3d4i n GLU 476 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3d4i n TRP 477 N -2.36 2.37 0.26 4.31 -0.00 -1.26 -4.86 117.44 115.91 3d4i n TRP 477 Ca 0.12 -0.08 0.16 0.00 -0.00 0.00 0.00 57.50 57.71 3d4i n TRP 477 Cb 0.49 -2.69 0.90 0.00 -0.00 0.00 0.00 31.31 30.01 3d4i n TRP 477 CO 0.00 0.00 0.00 1.98 -0.00 0.00 0.00 177.69 179.67 3d4i h MET 478 N 9.35 0.00 -0.59 5.87 4.05 -1.87 0.17 114.93 131.91 3d4i h MET 478 Ca -0.49 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 58.97 3d4i h MET 478 Cb 1.26 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 3d4i h MET 478 CO 0.94 0.00 0.39 -0.22 0.23 0.00 0.00 176.91 178.26 3d4i h LYS 479 N 0.00 0.65 -0.28 0.39 3.64 -1.77 -2.42 116.57 116.79 3d4i h LYS 479 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3d4i h LYS 479 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3d4i h LYS 479 CO -0.00 0.43 0.00 0.91 -2.27 0.00 0.00 179.45 178.52 3d4i n TRP 480 N -4.47 0.37 -4.58 1.91 8.01 0.05 -4.92 117.44 113.81 3d4i n TRP 480 Ca 0.07 -0.19 -0.27 0.00 -1.31 0.00 0.00 57.50 55.81 3d4i n TRP 480 Cb 0.15 0.00 -0.10 0.00 -2.01 0.00 0.00 31.31 29.35 3d4i n TRP 480 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 3d4i s GLU 481 N -1.63 1.91 0.00 -0.99 0.41 -0.91 -5.03 118.70 112.46 3d4i s GLU 481 Ca 0.25 -2.13 0.00 0.00 -0.41 0.00 0.00 54.97 52.69 3d4i s GLU 481 Cb 0.13 -1.16 0.00 0.00 -1.78 0.00 0.00 34.13 31.32 3d4i s GLU 481 CO 0.18 -0.25 0.25 0.00 -0.49 0.00 0.00 175.26 174.96 3d4i n ALA 482 N -0.93 0.00 -0.40 5.21 0.00 -1.26 -4.99 120.51 118.14 3d4i n ALA 482 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.39 3d4i n ALA 482 Cb 0.66 0.10 -0.01 0.00 0.00 0.00 0.00 19.45 20.21 3d4i n ALA 482 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3d4i n SER 483 N -0.46 -2.38 0.00 0.00 3.41 -1.26 -4.34 113.62 108.59 3d4i n SER 483 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 3d4i n SER 483 Cb 0.00 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 3d4i n SER 483 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3d4i n LYS 484 N -1.24 0.00 -2.61 4.33 5.02 -1.26 -2.32 118.16 120.08 3d4i n LYS 484 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3d4i n LYS 484 Cb 0.09 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 3d4i n LYS 484 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3d4i s ALA 485 N 0.00 3.08 -0.40 7.82 0.00 -1.26 -4.92 121.76 126.08 3d4i s ALA 485 Ca 0.00 -2.64 -0.42 0.00 0.00 0.00 0.00 51.96 48.90 3d4i s ALA 485 Cb 0.00 -4.54 -0.17 0.00 0.00 0.00 0.00 23.12 18.41 3d4i s ALA 485 CO 0.00 -3.40 1.86 2.41 0.00 0.00 0.00 175.76 176.63 3d4i n THR 486 N 6.48 0.14 -2.87 0.00 -1.04 -0.98 -4.74 114.28 111.27 3d4i n THR 486 Ca 0.40 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.94 3d4i n THR 486 Cb 0.48 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.01 3d4i n THR 486 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3d4i s LEU 487 N 4.53 4.41 -0.02 -4.42 2.96 -1.26 -4.88 118.68 120.00 3d4i s LEU 487 Ca 1.07 1.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.50 3d4i s LEU 487 Cb -1.24 -3.36 0.01 0.00 0.50 0.00 0.00 46.19 42.10 3d4i s LEU 487 CO 0.68 -0.11 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.68 3d4i s THR 488 N 0.44 0.32 0.26 3.68 2.01 -1.26 -4.98 115.64 116.11 3d4i s THR 488 Ca 0.44 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.43 3d4i s THR 488 Cb -0.21 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 3d4i s THR 488 CO 0.25 0.14 0.34 -0.36 -0.69 0.00 0.00 174.62 174.30 3d4i s PHE 489 N 0.56 3.31 0.33 4.92 0.08 -1.26 -4.82 117.98 121.11 3d4i s PHE 489 Ca -0.06 -0.08 -0.29 0.00 0.12 0.00 0.00 56.93 56.62 3d4i s PHE 489 Cb -0.09 -1.60 -0.12 0.00 -0.57 0.00 0.00 43.02 40.65 3d4i s PHE 489 CO -0.01 0.39 1.49 1.28 -0.10 0.00 0.00 175.22 178.28 3d4i n LEU 490 N -1.39 4.35 -4.77 -0.37 4.32 -1.26 -5.00 117.00 112.89 3d4i n LEU 490 Ca -0.07 1.19 -0.31 0.00 -0.02 0.00 0.00 56.01 56.80 3d4i n LEU 490 Cb 0.57 -1.58 0.10 0.00 -1.62 0.00 0.00 43.42 40.89 3d4i n LEU 490 CO 0.44 0.02 0.69 0.42 -1.22 0.00 0.00 177.39 177.75 3d4i s THR 491 N -0.65 3.23 0.30 -5.08 -4.23 -1.26 -4.81 115.64 103.14 3d4i s THR 491 Ca 0.58 0.40 0.02 0.00 -1.18 0.00 0.00 61.69 61.51 3d4i s THR 491 Cb -0.51 -2.95 0.29 0.00 1.34 0.00 0.00 72.50 70.68 3d4i s THR 491 CO 0.57 -0.52 1.85 -0.07 -0.54 0.00 0.00 174.62 175.91 3d4i h LEU 492 N -1.18 0.89 -0.50 4.79 4.07 -1.98 0.69 115.31 122.09 3d4i h LEU 492 Ca -0.45 0.04 -0.07 0.00 0.08 0.00 0.00 57.88 57.48 3d4i h LEU 492 Cb 1.25 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.83 3d4i h LEU 492 CO 0.54 0.48 0.05 1.05 -1.08 0.00 0.00 178.44 179.48 3d4i h GLU 493 N 0.96 0.84 -0.69 1.13 9.09 -1.98 0.16 114.58 124.09 3d4i h GLU 493 Ca 0.48 -0.24 -0.06 0.00 0.05 0.00 0.00 59.36 59.59 3d4i h GLU 493 Cb 0.49 -0.09 -0.03 0.00 -1.65 0.00 0.00 28.75 27.47 3d4i h GLU 493 CO -0.24 0.85 0.20 0.93 0.05 0.00 0.00 179.01 180.81 3d4i h GLU 494 N 0.71 1.07 -0.26 1.06 5.08 -1.74 -0.05 114.58 120.45 3d4i h GLU 494 Ca 0.15 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3d4i h GLU 494 Cb 0.44 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3d4i h GLU 494 CO 0.02 0.94 0.16 -0.07 -1.00 0.00 0.00 179.01 179.05 3d4i h LEU 495 N 1.01 0.30 -0.72 1.33 3.38 -0.71 -1.42 115.31 118.49 3d4i h LEU 495 Ca 0.22 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3d4i h LEU 495 Cb 0.32 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3d4i h LEU 495 CO -0.00 0.25 0.42 0.11 0.09 0.00 0.00 178.44 179.30 3d4i h LYS 496 N 0.34 0.76 -0.37 1.13 1.79 -0.32 -1.21 116.57 118.70 3d4i h LYS 496 Ca 0.09 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3d4i h LYS 496 Cb -0.01 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 3d4i h LYS 496 CO -0.02 0.51 0.20 0.93 -1.08 0.00 0.00 179.45 179.99 3d4i h GLU 497 N 0.79 0.50 -0.49 3.15 5.08 -0.83 -1.75 114.58 121.02 3d4i h GLU 497 Ca 0.31 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3d4i h GLU 497 Cb 0.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3d4i h GLU 497 CO -0.16 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.22 3d4i n ALA 498 N -2.48 2.67 -2.08 3.43 0.00 -0.55 -4.90 120.51 116.59 3d4i n ALA 498 Ca 0.02 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 3d4i n ALA 498 Cb 0.10 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3d4i n ALA 498 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3d4i n ASN 499 N 0.28 -3.26 -4.62 0.00 5.15 -0.66 -5.01 115.26 107.15 3d4i n ASN 499 Ca 0.10 0.01 -0.40 0.00 -0.60 0.00 0.00 54.58 53.69 3d4i n ASN 499 Cb 0.37 -2.44 -0.07 0.00 -0.53 0.00 0.00 39.78 37.11 3d4i n ASN 499 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3d4i s PHE 500 N -2.45 3.26 -1.19 1.20 0.08 -0.54 -4.99 117.98 113.36 3d4i s PHE 500 Ca 0.00 0.66 -0.17 0.00 0.12 0.00 0.00 56.93 57.54 3d4i s PHE 500 Cb 0.00 -2.76 -0.04 0.00 -0.57 0.00 0.00 43.02 39.65 3d4i s PHE 500 CO 0.00 -0.31 2.11 -1.71 -0.10 0.00 0.00 175.22 175.22 3d4i n ASN 501 N 5.59 3.37 -4.82 1.36 5.15 -1.26 -3.81 115.26 120.83 3d4i n ASN 501 Ca -0.03 -2.77 -0.33 0.00 -0.60 0.00 0.00 54.58 50.85 3d4i n ASN 501 Cb 0.49 -1.44 -0.07 0.00 -0.53 0.00 0.00 39.78 38.24 3d4i n ASN 501 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3d4i s VAL 502 N 3.91 4.43 -0.57 3.44 -7.23 -1.26 -1.40 120.40 121.72 3d4i s VAL 502 Ca 0.51 1.41 -0.28 0.00 -1.81 0.00 0.00 61.98 61.81 3d4i s VAL 502 Cb 0.14 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.51 3d4i s VAL 502 CO -0.01 -0.30 1.16 -0.62 -0.31 0.00 0.00 175.10 175.02 3d4i s ASP 503 N -2.20 6.46 0.43 4.85 -1.08 0.25 -4.75 116.67 120.62 3d4i s ASP 503 Ca 0.61 0.10 0.28 0.00 -0.52 0.00 0.00 52.55 53.02 3d4i s ASP 503 Cb -0.09 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.76 3d4i s ASP 503 CO 0.14 -1.43 1.81 -0.07 0.52 0.00 0.00 175.17 176.13 3d4i h LEU 504 N 11.75 0.00 -1.67 -1.34 3.38 -1.95 -3.18 115.31 122.30 3d4i h LEU 504 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3d4i h LEU 504 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3d4i h LEU 504 CO 1.17 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 180.10 3d4i n ASP 505 N -2.87 2.67 -4.71 -0.43 9.92 -1.26 -4.95 116.55 114.91 3d4i n ASP 505 Ca 0.02 -1.86 -0.42 0.00 -0.53 0.00 0.00 54.79 52.00 3d4i n ASP 505 Cb 0.38 0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.89 3d4i n ASP 505 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 3d4i s TYR 506 N -2.07 3.46 -0.46 1.24 5.04 -1.20 -5.01 117.35 118.35 3d4i s TYR 506 Ca 0.28 1.35 -0.15 0.00 -2.44 0.00 0.00 57.07 56.11 3d4i s TYR 506 Cb 0.20 -3.39 0.07 0.00 0.35 0.00 0.00 41.96 39.19 3d4i s TYR 506 CO 0.34 -1.14 0.37 -0.98 -1.34 0.00 0.00 175.55 172.80 3d4i s ARG 507 N 1.00 2.93 0.69 4.97 3.03 -1.26 -5.00 118.95 125.31 3d4i s ARG 507 Ca 0.58 -1.33 -0.17 0.00 2.03 0.00 0.00 55.73 56.84 3d4i s ARG 507 Cb -0.29 -4.07 0.01 0.00 -1.03 0.00 0.00 34.95 29.58 3d4i s ARG 507 CO 0.29 -0.99 1.27 -0.35 -1.13 0.00 0.00 175.30 174.39 3d4i n PRO 508 N 5.16 0.90 -0.05 3.89 -0.04 -1.26 -4.92 135.00 138.68 3d4i n PRO 508 Ca -0.12 0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.67 3d4i n PRO 508 Cb 0.44 -2.51 0.20 0.00 -0.04 0.00 0.00 33.50 31.59 3d4i n PRO 508 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4i h ALA 509 N 0.20 1.15 -3.54 0.55 0.00 -1.93 -3.37 119.26 112.31 3d4i h ALA 509 Ca -0.50 -0.27 -0.60 0.00 0.00 0.00 0.00 54.91 53.53 3d4i h ALA 509 Cb 1.33 -0.16 -0.39 0.00 0.00 0.00 0.00 17.79 18.57 3d4i h ALA 509 CO 0.51 0.54 -0.77 -1.17 0.00 0.00 0.00 179.25 178.36 3d4i s LEU 510 N -9.00 2.62 0.57 0.00 2.96 -1.26 -4.95 118.68 109.61 3d4i s LEU 510 Ca -0.08 -1.30 -0.20 0.00 -0.22 0.00 0.00 54.13 52.33 3d4i s LEU 510 Cb 0.14 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 3d4i s LEU 510 CO 0.80 -0.28 1.10 -2.65 -1.32 0.00 0.00 176.35 174.00 3d4i n PRO 511 N 4.69 1.17 0.00 0.98 -0.02 -1.26 -3.64 135.00 136.91 3d4i n PRO 511 Ca -0.09 0.44 0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3d4i n PRO 511 Cb 0.44 -2.29 0.56 0.00 -0.02 0.00 0.00 33.50 32.19 3d4i n PRO 511 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3d4i h ARG 512 N 0.84 0.25 0.00 -0.52 0.11 -1.97 0.11 114.38 113.19 3d4i h ARG 512 Ca -0.49 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3d4i h ARG 512 Cb 1.34 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3d4i h ARG 512 CO 0.53 0.17 0.00 0.00 0.10 0.00 0.00 179.97 180.77 3d4i n SER 514 N -1.44 0.69 -4.58 0.00 7.64 0.37 -4.79 113.62 111.51 3d4i n SER 514 Ca 0.07 -0.62 -0.41 0.00 1.01 0.00 0.00 58.87 58.92 3d4i n SER 514 Cb 0.24 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3d4i n SER 514 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d4i s LEU 515 N -2.57 3.42 -0.11 -3.43 1.43 -1.14 -4.98 118.68 111.30 3d4i s LEU 515 Ca 0.24 0.69 -0.27 0.00 -1.03 0.00 0.00 54.13 53.76 3d4i s LEU 515 Cb 0.19 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 3d4i s LEU 515 CO 0.52 -1.91 0.90 -0.04 0.23 0.00 0.00 176.35 176.05 3d4i s MET 516 N 6.02 4.40 0.36 1.70 -1.94 -1.26 -4.94 119.30 123.64 3d4i s MET 516 Ca 0.67 1.19 0.03 0.00 -1.71 0.00 0.00 55.69 55.88 3d4i s MET 516 Cb -0.15 -3.53 0.69 0.00 2.01 0.00 0.00 34.83 33.85 3d4i s MET 516 CO 0.27 -0.23 2.02 -1.35 -0.01 0.00 0.00 175.02 175.72 3d4i h PRO 517 N 7.09 0.77 -0.97 2.03 0.11 -1.93 -1.90 132.00 137.19 3d4i h PRO 517 Ca -0.33 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 3d4i h PRO 517 Cb 1.16 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 3d4i h PRO 517 CO 0.82 0.51 0.10 0.00 -0.21 0.00 0.00 178.00 179.22 3d4i n ALA 518 N -2.45 3.09 -1.71 -0.75 0.00 -1.26 -4.41 120.51 113.03 3d4i n ALA 518 Ca 0.06 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 3d4i n ALA 518 Cb 0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 3d4i n ALA 518 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3d4i s GLU 519 N -0.98 4.10 0.63 0.00 2.12 -0.72 -5.00 118.70 118.84 3d4i s GLU 519 Ca 0.13 2.54 -0.07 0.00 0.36 0.00 0.00 54.97 57.93 3d4i s GLU 519 Cb 0.11 -4.15 0.01 0.00 0.26 0.00 0.00 34.13 30.36 3d4i s GLU 519 CO 0.03 -1.00 0.96 -1.54 -0.54 0.00 0.00 175.26 173.17 3d4i s SER 520 N 4.50 5.50 0.16 -1.70 1.04 -1.26 -4.17 113.70 117.77 3d4i s SER 520 Ca 0.87 0.80 -0.17 0.00 0.48 0.00 0.00 55.95 57.93 3d4i s SER 520 Cb -0.41 -1.72 0.09 0.00 0.10 0.00 0.00 66.02 64.08 3d4i s SER 520 CO 0.40 -1.17 1.67 0.22 0.98 0.00 0.00 173.24 175.33 3d4i h TYR 521 N -0.33 -0.24 -0.30 5.02 3.20 -1.99 0.85 116.97 123.19 3d4i h TYR 521 Ca -0.45 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.51 3d4i h TYR 521 Cb 1.26 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 39.65 3d4i h TYR 521 CO 0.47 -0.18 0.00 -0.44 -1.64 0.00 0.00 178.16 176.37 3d4i h ASP 522 N -0.02 -0.11 -0.87 -2.11 5.19 -2.00 -1.14 116.42 115.37 3d4i h ASP 522 Ca 0.19 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 3d4i h ASP 522 Cb 0.30 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 3d4i h ASP 522 CO -0.41 -0.02 0.50 1.56 -3.12 0.00 0.00 179.24 177.75 3d4i h GLN 523 N 0.09 1.19 0.06 3.56 4.20 -1.83 -2.57 115.11 119.81 3d4i h GLN 523 Ca 0.14 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3d4i h GLN 523 Cb 0.19 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3d4i h GLN 523 CO -0.24 0.85 -0.03 -0.92 -0.67 0.00 0.00 178.83 177.82 3d4i h TYR 524 N 1.21 -0.08 -0.25 2.96 3.20 -0.17 -1.43 116.97 122.40 3d4i h TYR 524 Ca 0.31 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 3d4i h TYR 524 Cb -0.02 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3d4i h TYR 524 CO 0.01 0.21 0.03 -0.39 -1.64 0.00 0.00 178.16 176.38 3d4i h VAL 525 N -0.37 1.14 -0.15 1.81 -1.51 -1.24 -2.11 116.25 113.82 3d4i h VAL 525 Ca -0.01 -0.52 -0.03 0.00 -1.23 0.00 0.00 66.70 64.92 3d4i h VAL 525 Cb 0.32 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.39 3d4i h VAL 525 CO 0.01 0.18 -0.01 -0.08 -1.23 0.00 0.00 177.57 176.44 3d4i h GLU 526 N 0.36 0.28 -0.16 5.19 4.57 -1.29 -1.71 114.58 121.82 3d4i h GLU 526 Ca 0.09 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 3d4i h GLU 526 Cb 0.19 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3d4i h GLU 526 CO 0.00 0.53 -0.28 0.07 -1.18 0.00 0.00 179.01 178.15 3d4i h ARG 527 N 0.00 0.31 -0.32 1.92 -0.00 -1.01 0.86 114.38 116.15 3d4i h ARG 527 Ca 0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 3d4i h ARG 527 Cb 0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.35 3d4i h ARG 527 CO 0.01 0.57 0.16 0.00 -0.00 0.00 0.00 179.97 180.70 3d4i h ALA 529 N 1.01 0.59 -0.13 0.00 0.00 -0.89 0.50 119.26 120.34 3d4i h ALA 529 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3d4i h ALA 529 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3d4i h ALA 529 CO -0.01 0.08 -0.02 0.28 0.00 0.00 0.00 179.25 179.58 3d4i h VAL 530 N 0.61 0.89 -0.19 0.00 2.07 -0.69 -1.73 116.25 117.21 3d4i h VAL 530 Ca 0.16 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.68 3d4i h VAL 530 Cb 0.01 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3d4i h VAL 530 CO -0.03 0.00 0.12 0.28 0.02 0.00 0.00 177.57 177.97 3d4i h SER 531 N 0.02 0.22 -0.97 0.57 0.02 -0.62 -2.27 113.55 110.53 3d4i h SER 531 Ca 0.06 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3d4i h SER 531 Cb 0.08 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 3d4i h SER 531 CO -0.12 0.17 0.62 0.24 -1.14 0.00 0.00 176.83 176.61 3d4i h MET 532 N 0.25 1.10 -0.05 3.45 2.86 -0.77 -0.10 114.93 121.66 3d4i h MET 532 Ca 0.07 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3d4i h MET 532 Cb -0.01 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 31.36 3d4i h MET 532 CO -0.01 0.73 -0.15 0.78 1.06 0.00 0.00 176.91 179.31 3d4i h GLY 533 N 1.14 -0.15 1.00 8.32 0.00 -0.92 -1.08 103.07 111.38 3d4i h GLY 533 Ca 0.42 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.92 3d4i h GLY 533 CO -0.17 -0.15 0.39 -1.61 0.00 0.00 0.00 176.54 175.00 3d4i h GLN 534 N -0.23 0.92 -0.57 4.80 4.15 -0.85 -2.99 115.11 120.35 3d4i h GLN 534 Ca 0.07 -0.09 0.03 0.00 0.77 0.00 0.00 58.65 59.42 3d4i h GLN 534 Cb 0.32 -0.19 -0.04 0.00 0.21 0.00 0.00 27.48 27.78 3d4i h GLN 534 CO -0.18 0.67 0.34 0.82 -1.93 0.00 0.00 178.83 178.55 3d4i h ILE 535 N 0.92 1.06 0.00 2.39 2.04 -0.69 -1.60 117.51 121.64 3d4i h ILE 535 Ca 0.24 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3d4i h ILE 535 Cb -0.00 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3d4i h ILE 535 CO -0.04 0.12 0.00 2.30 0.00 0.00 0.00 178.15 180.53 3d4i n ILE 536 N -4.76 0.64 0.55 -0.67 -5.35 -0.44 -2.46 119.36 106.87 3d4i n ILE 536 Ca 0.05 0.16 0.09 0.00 -0.27 0.00 0.00 62.75 62.78 3d4i n ILE 536 Cb 0.08 -0.84 -0.12 0.00 -1.74 0.00 0.00 39.64 37.01 3d4i n ILE 536 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3d4i n ASN 537 N -1.44 0.76 0.17 7.28 3.02 -0.93 -4.27 115.26 119.85 3d4i n ASN 537 Ca 0.06 -0.59 -0.08 0.00 -0.03 0.00 0.00 54.58 53.94 3d4i n ASN 537 Cb 0.20 1.34 -0.04 0.00 -0.61 0.00 0.00 39.78 40.67 3d4i n ASN 537 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3d4i h THR 538 N 0.00 0.00 -2.93 3.41 2.02 -0.98 -3.38 112.91 111.05 3d4i h THR 538 Ca 0.00 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.57 3d4i h THR 538 Cb 0.61 0.00 -0.40 0.00 -1.74 0.00 0.00 68.15 66.62 3d4i h THR 538 CO 0.00 0.00 -0.73 0.00 0.37 0.00 0.00 175.52 175.16 3d4i n PRO 540 N 2.98 1.69 -2.12 0.00 -0.02 -1.26 -4.85 135.00 131.42 3d4i n PRO 540 Ca 0.15 -1.12 -0.41 0.00 -2.02 0.00 0.00 63.50 60.10 3d4i n PRO 540 Cb 0.37 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 3d4i n PRO 540 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3d4i s GLN 541 N 2.92 3.10 0.00 -0.52 -0.21 -1.26 -4.88 119.66 118.81 3d4i s GLN 541 Ca 0.37 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.66 3d4i s GLN 541 Cb 0.12 -4.23 0.00 0.00 1.00 0.00 0.00 33.01 29.90 3d4i s GLN 541 CO -0.02 -2.16 1.34 -0.25 -2.12 0.00 0.00 175.29 172.09 3d4i n ASP 542 N 10.89 3.77 0.00 5.90 8.00 -1.26 -3.03 116.55 140.82 3d4i n ASP 542 Ca 0.19 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3d4i n ASP 542 Cb 0.49 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3d4i n ASP 542 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3d4i n MET 543 N 0.97 1.28 -2.61 -1.24 2.81 -1.26 -4.42 117.12 112.65 3d4i n MET 543 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 3d4i n MET 543 Cb 0.47 -0.56 0.07 0.00 -0.71 0.00 0.00 33.22 32.50 3d4i n MET 543 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3d4i s GLY 544 N -1.06 1.78 -0.16 3.03 0.00 -1.17 -4.15 107.32 105.59 3d4i s GLY 544 Ca 0.00 -1.55 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 3d4i s GLY 544 CO 0.00 -1.11 0.07 -0.42 0.00 0.00 0.00 173.10 171.65 3d4i s ILE 545 N -2.97 4.92 -0.22 0.90 1.01 0.44 -1.78 121.20 123.50 3d4i s ILE 545 Ca 0.62 0.00 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 3d4i s ILE 545 Cb -0.08 -3.19 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3d4i s ILE 545 CO 0.42 0.50 0.07 -0.89 0.00 0.00 0.00 174.94 175.03 3d4i s THR 546 N -0.01 4.53 0.07 2.92 2.01 -0.20 0.05 115.64 125.01 3d4i s THR 546 Ca 0.07 -0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 3d4i s THR 546 Cb -0.12 -3.08 -0.06 0.00 0.01 0.00 0.00 72.50 69.26 3d4i s THR 546 CO 0.01 0.39 0.85 -0.76 -0.69 0.00 0.00 174.62 174.41 3d4i s LEU 547 N 1.03 4.47 -0.38 4.42 1.02 -0.56 -1.12 118.68 127.57 3d4i s LEU 547 Ca 0.04 1.59 0.04 0.00 0.02 0.00 0.00 54.13 55.82 3d4i s LEU 547 Cb -0.14 -3.38 0.11 0.00 0.02 0.00 0.00 46.19 42.80 3d4i s LEU 547 CO 0.03 -0.01 0.10 -0.63 0.02 0.00 0.00 176.35 175.86 3d4i s ILE 548 N -0.06 2.28 -0.38 -0.59 -1.09 -0.03 -0.74 121.20 120.60 3d4i s ILE 548 Ca 0.42 -2.53 -0.14 0.00 -2.23 0.00 0.00 60.65 56.17 3d4i s ILE 548 Cb -0.22 -2.67 0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3d4i s ILE 548 CO 0.26 -0.65 0.27 -0.69 -1.23 0.00 0.00 174.94 172.90 3d4i s VAL 549 N 0.66 5.20 0.00 2.92 1.01 0.36 -0.86 120.40 129.69 3d4i s VAL 549 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3d4i s VAL 549 Cb -0.21 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3d4i s VAL 549 CO -0.07 -0.19 0.00 -0.24 0.00 0.00 0.00 175.10 174.60 3d4i n SER 550 N 5.12 1.70 -4.68 3.32 2.88 -0.09 -1.50 113.62 120.37 3d4i n SER 550 Ca -0.12 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.17 3d4i n SER 550 Cb 0.48 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.86 3d4i n SER 550 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3d4i s HIS 551 N 0.09 2.58 0.21 0.66 3.76 -1.26 -1.69 115.29 119.64 3d4i s HIS 551 Ca 0.00 -0.55 -0.10 0.00 -0.15 0.00 0.00 55.06 54.27 3d4i s HIS 551 Cb 0.00 -1.77 0.30 0.00 1.11 0.00 0.00 32.58 32.22 3d4i s HIS 551 CO 0.00 0.33 1.71 0.77 -0.85 0.00 0.00 174.74 176.70 3d4i h SER 552 N 1.61 0.05 -0.97 1.40 0.02 -1.92 -1.74 113.55 112.00 3d4i h SER 552 Ca -0.43 0.11 0.21 0.00 -0.84 0.00 0.00 61.79 60.83 3d4i h SER 552 Cb 1.25 0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.84 3d4i h SER 552 CO 0.71 0.03 0.62 0.77 -1.14 0.00 0.00 176.83 177.82 3d4i h SER 553 N 0.29 0.58 0.45 3.07 4.64 -1.96 -2.26 113.55 118.36 3d4i h SER 553 Ca 0.32 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 61.65 3d4i h SER 553 Cb 0.46 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3d4i h SER 553 CO -0.39 0.20 -0.30 0.00 -0.87 0.00 0.00 176.83 175.48 3d4i h ALA 554 N 1.62 1.30 -0.67 5.18 0.00 -1.69 -1.11 119.26 123.90 3d4i h ALA 554 Ca 0.54 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3d4i h ALA 554 Cb 1.11 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3d4i h ALA 554 CO -0.28 0.37 0.45 -0.07 0.00 0.00 0.00 179.25 179.72 3d4i h LEU 555 N 0.00 0.49 0.00 0.00 4.07 -1.48 -0.16 115.31 118.24 3d4i h LEU 555 Ca -0.00 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 3d4i h LEU 555 Cb 0.61 -0.09 -0.03 0.00 1.08 0.00 0.00 40.66 42.22 3d4i h LEU 555 CO 0.04 0.30 -1.12 -0.78 -1.08 0.00 0.00 178.44 175.80 3d4i h ASP 556 N 0.55 0.00 0.76 -0.43 3.58 -1.67 -3.37 116.42 115.85 3d4i h ASP 556 Ca 0.31 -0.45 -0.04 0.00 0.42 0.00 0.00 57.03 57.27 3d4i h ASP 556 Cb 0.48 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 3d4i h ASP 556 CO -0.10 1.37 -0.17 0.77 -2.88 0.00 0.00 179.24 178.23 3d4i h SER 557 N -1.00 0.00 -0.02 2.28 4.64 -1.17 -1.84 113.55 116.44 3d4i h SER 557 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3d4i h SER 557 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3d4i h SER 557 CO -0.18 0.17 -0.34 0.00 -0.87 0.00 0.00 176.83 175.61 3d4i n THR 559 N 0.32 0.88 -0.23 0.00 -2.24 -1.11 -4.59 114.28 107.31 3d4i n THR 559 Ca 0.10 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 3d4i n THR 559 Cb 0.49 -1.36 0.13 0.00 -2.10 0.00 0.00 70.33 67.50 3d4i n THR 559 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3d4i h ARG 560 N -0.27 0.15 -0.77 -0.78 3.08 -1.56 -0.81 114.38 113.41 3d4i h ARG 560 Ca -0.37 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.71 3d4i h ARG 560 Cb 1.45 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.41 3d4i h ARG 560 CO -0.14 0.10 0.48 -1.00 -1.07 0.00 0.00 179.97 178.34 3d4i h PRO 561 N 0.15 0.90 -0.92 0.04 0.13 -1.78 -1.09 132.00 129.44 3d4i h PRO 561 Ca 0.37 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.48 3d4i h PRO 561 Cb 0.62 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 3d4i h PRO 561 CO -0.56 0.59 0.60 -0.07 -0.23 0.00 0.00 178.00 178.34 3d4i h LEU 562 N 0.92 0.99 -0.10 1.56 4.07 -1.45 -2.10 115.31 119.19 3d4i h LEU 562 Ca 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.27 3d4i h LEU 562 Cb 0.06 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3d4i h LEU 562 CO -0.13 0.67 0.00 0.18 -1.08 0.00 0.00 178.44 178.08 3d4i n LEU 563 N -4.45 0.15 -0.81 1.67 4.77 -0.47 -4.17 117.00 113.69 3d4i n LEU 563 Ca 0.12 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3d4i n LEU 563 Cb 0.11 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3d4i n LEU 563 CO 0.34 0.03 -0.10 0.61 -1.33 0.00 0.00 177.39 176.95 3d4i n GLY 564 N 0.83 1.18 3.92 -0.72 0.00 -0.79 -4.91 105.19 104.69 3d4i n GLY 564 Ca 0.14 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3d4i n GLY 564 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d4i s LEU 565 N -2.42 4.22 0.73 0.99 1.43 -0.47 -5.02 118.68 118.16 3d4i s LEU 565 Ca 0.00 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 3d4i s LEU 565 Cb 0.00 -3.23 0.03 0.00 0.03 0.00 0.00 46.19 43.03 3d4i s LEU 565 CO 0.00 -0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.47 3d4i s PRO 566 N -3.20 2.62 0.55 1.29 0.04 -1.26 -4.16 135.00 130.87 3d4i s PRO 566 Ca 0.39 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 61.86 3d4i s PRO 566 Cb -0.11 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3d4i s PRO 566 CO 0.28 -1.25 1.37 -2.30 0.04 0.00 0.00 177.00 175.14 3d4i n PRO 567 N -3.18 1.68 -1.27 0.56 -0.02 -1.26 -4.97 135.00 126.55 3d4i n PRO 567 Ca 0.07 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 3d4i n PRO 567 Cb 0.56 -2.59 0.10 0.00 -0.02 0.00 0.00 33.50 31.55 3d4i n PRO 567 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3d4i s ARG 568 N -2.92 2.08 0.41 -0.52 0.52 -1.26 -4.98 118.95 112.28 3d4i s ARG 568 Ca 0.72 1.40 -0.27 0.00 -0.52 0.00 0.00 55.73 57.06 3d4i s ARG 568 Cb -0.41 -1.86 -0.10 0.00 0.52 0.00 0.00 34.95 33.10 3d4i s ARG 568 CO 0.49 -1.81 1.47 -1.91 0.02 0.00 0.00 175.30 173.55 3d4i n GLU 569 N -3.31 2.50 -0.35 3.54 0.00 -1.26 -4.76 120.64 116.98 3d4i n GLU 569 Ca 0.11 0.88 0.09 0.00 0.00 0.00 0.00 57.16 58.24 3d4i n GLU 569 Cb 0.52 -2.66 0.26 0.00 0.00 0.00 0.00 31.44 29.56 3d4i n GLU 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d4i h GLY 571 N 0.90 0.84 0.77 0.00 0.00 -1.99 -2.07 103.07 101.51 3d4i h GLY 571 Ca 0.52 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3d4i h GLY 571 CO -0.31 0.58 -0.15 -1.80 0.00 0.00 0.00 176.54 174.86 3d4i h ASP 572 N 0.70 -0.35 -0.59 0.19 3.58 -1.47 -2.06 116.42 116.41 3d4i h ASP 572 Ca 0.12 -0.13 0.12 0.00 0.42 0.00 0.00 57.03 57.56 3d4i h ASP 572 Cb 0.58 0.09 -0.11 0.00 1.72 0.00 0.00 39.33 41.62 3d4i h ASP 572 CO 0.04 -0.06 -0.08 0.15 -2.88 0.00 0.00 179.24 176.41 3d4i h PHE 573 N -0.65 -0.19 -0.51 0.28 3.57 -1.31 -0.60 116.94 117.53 3d4i h PHE 573 Ca -0.04 0.05 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3d4i h PHE 573 Cb 0.46 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3d4i h PHE 573 CO 0.00 -0.21 -0.12 0.00 -2.23 0.00 0.00 178.31 175.75 3d4i h ALA 574 N 1.57 0.82 -0.72 2.41 0.00 -1.34 -0.23 119.26 121.77 3d4i h ALA 574 Ca 0.30 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3d4i h ALA 574 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3d4i h ALA 574 CO -0.57 0.66 0.20 1.96 0.00 0.00 0.00 179.25 181.50 3d4i h GLN 575 N 0.86 1.14 -0.24 0.00 4.20 -1.03 -2.15 115.11 117.88 3d4i h GLN 575 Ca 0.13 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 3d4i h GLN 575 Cb 0.67 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3d4i h GLN 575 CO 0.05 0.99 -0.29 -0.07 -0.67 0.00 0.00 178.83 178.84 3d4i h LEU 576 N 1.09 0.67 0.00 1.46 3.38 -0.65 -3.28 115.31 117.98 3d4i h LEU 576 Ca 0.23 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3d4i h LEU 576 Cb 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3d4i h LEU 576 CO -0.00 1.03 -0.60 -0.37 0.09 0.00 0.00 178.44 178.58 3d4i h VAL 577 N 0.33 0.00 -0.98 1.22 -1.51 -1.09 -3.36 116.25 110.86 3d4i h VAL 577 Ca 0.03 -0.81 0.21 0.00 -1.23 0.00 0.00 66.70 64.91 3d4i h VAL 577 Cb 0.86 1.47 -0.11 0.00 -2.13 0.00 0.00 31.29 31.37 3d4i h VAL 577 CO 0.07 0.00 0.57 -0.09 -1.23 0.00 0.00 177.57 176.89 3d4i h ARG 578 N 0.00 0.64 -0.00 5.19 2.43 -1.44 -2.82 114.38 118.37 3d4i h ARG 578 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3d4i h ARG 578 Cb 0.90 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 3d4i h ARG 578 CO 0.00 0.42 -0.44 0.36 -1.51 0.00 0.00 179.97 178.80 3d4i n LYS 579 N -4.84 0.14 -1.69 0.20 -0.00 -1.26 -4.98 118.16 105.73 3d4i n LYS 579 Ca 0.24 -0.08 -0.44 0.00 -0.00 0.00 0.00 58.31 58.03 3d4i n LYS 579 Cb 0.63 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 34.13 3d4i n LYS 579 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3d4i n ILE 580 N -1.37 0.21 -2.03 0.58 5.41 -1.06 -4.97 119.36 116.13 3d4i n ILE 580 Ca 0.07 -0.04 -0.28 0.00 1.00 0.00 0.00 62.75 63.50 3d4i n ILE 580 Cb 0.34 -1.87 0.07 0.00 -0.71 0.00 0.00 39.64 37.47 3d4i n ILE 580 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3d4i s PRO 581 N 2.03 2.22 0.30 0.38 0.04 -1.26 -4.96 135.00 133.76 3d4i s PRO 581 Ca 0.81 0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.59 3d4i s PRO 581 Cb -0.58 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.78 3d4i s PRO 581 CO 0.39 -1.35 1.32 0.43 0.04 0.00 0.00 177.00 177.83 3d4i n SER 582 N -3.10 2.71 -0.41 6.66 7.64 -1.26 -1.46 113.62 124.40 3d4i n SER 582 Ca 0.08 1.18 -0.05 0.00 1.01 0.00 0.00 58.87 61.09 3d4i n SER 582 Cb 0.60 -1.46 -0.02 0.00 -1.01 0.00 0.00 64.21 62.32 3d4i n SER 582 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d4i n LEU 583 N 1.30 0.17 -4.72 -3.43 7.99 -0.53 -4.93 117.00 112.86 3d4i n LEU 583 Ca 0.07 0.13 -0.40 0.00 -0.01 0.00 0.00 56.01 55.81 3d4i n LEU 583 Cb 0.34 -2.22 0.03 0.00 -0.11 0.00 0.00 43.42 41.46 3d4i n LEU 583 CO 0.62 -0.84 0.91 0.61 -1.51 0.00 0.00 177.39 177.18 3d4i n GLY 584 N -0.11 0.59 3.13 -0.72 0.00 -0.54 -4.62 105.19 102.93 3d4i n GLY 584 Ca -0.05 0.09 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3d4i n GLY 584 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3d4i s MET 585 N -2.55 0.78 -0.05 1.61 -1.94 -1.26 -0.56 119.30 115.33 3d4i s MET 585 Ca 0.67 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.86 3d4i s MET 585 Cb -0.46 -0.75 0.01 0.00 2.01 0.00 0.00 34.83 35.65 3d4i s MET 585 CO 0.53 0.17 -0.11 0.00 -0.01 0.00 0.00 175.02 175.60 3d4i s PHE 587 N 0.54 2.26 -0.02 0.00 5.36 -1.25 -0.67 117.98 124.19 3d4i s PHE 587 Ca -0.11 -1.08 0.07 0.00 -0.96 0.00 0.00 56.93 54.85 3d4i s PHE 587 Cb -0.14 -1.58 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 3d4i s PHE 587 CO 0.03 -0.52 -0.22 0.00 -1.46 0.00 0.00 175.22 173.05 3d4i s GLU 589 N -0.73 1.86 -0.09 0.00 2.02 -0.24 -1.00 118.70 120.52 3d4i s GLU 589 Ca 0.11 -1.06 -0.20 0.00 0.02 0.00 0.00 54.97 53.84 3d4i s GLU 589 Cb -0.10 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3d4i s GLU 589 CO -0.00 0.52 0.56 -2.00 0.02 0.00 0.00 175.26 174.36 3d4i s GLU 590 N -1.08 4.37 -0.47 1.61 2.12 -0.36 -0.78 118.70 124.10 3d4i s GLU 590 Ca 0.11 0.62 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 3d4i s GLU 590 Cb -0.10 -3.43 0.10 0.00 0.26 0.00 0.00 34.13 30.96 3d4i s GLU 590 CO 0.01 0.16 0.37 1.21 -0.54 0.00 0.00 175.26 176.47 3d4i s ASN 591 N 0.57 5.92 0.20 -1.70 3.84 0.14 -4.33 114.94 119.58 3d4i s ASN 591 Ca 0.30 -1.62 -0.06 0.00 0.21 0.00 0.00 52.86 51.70 3d4i s ASN 591 Cb -0.16 -2.10 0.14 0.00 -0.55 0.00 0.00 41.25 38.58 3d4i s ASN 591 CO 0.14 -0.68 1.60 0.03 -2.79 0.00 0.00 177.10 175.40 3d4i h ARG 592 N 8.63 0.81 0.65 0.43 3.08 -1.97 -0.64 114.38 125.37 3d4i h ARG 592 Ca -0.26 -0.34 -0.03 0.00 0.07 0.00 0.00 59.98 59.42 3d4i h ARG 592 Cb 1.09 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 31.12 3d4i h ARG 592 CO 0.88 0.97 -0.31 1.49 -1.07 0.00 0.00 179.97 181.93 3d4i h GLU 593 N 0.70 -0.84 0.00 0.04 4.81 -1.95 -3.05 114.58 114.30 3d4i h GLU 593 Ca 0.09 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3d4i h GLU 593 Cb 0.77 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3d4i h GLU 593 CO 0.06 -0.52 0.00 -0.25 -0.73 0.00 0.00 179.01 177.57 3d4i n ASP 594 N -5.41 0.32 -2.31 1.04 9.92 -1.24 -4.92 116.55 113.94 3d4i n ASP 594 Ca -0.13 0.56 -0.11 0.00 -0.53 0.00 0.00 54.79 54.59 3d4i n ASP 594 Cb 0.37 -0.63 0.05 0.00 -0.64 0.00 0.00 41.12 40.26 3d4i n ASP 594 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d4i n GLY 595 N 0.45 0.04 3.47 0.44 0.00 -0.33 -5.03 105.19 104.23 3d4i n GLY 595 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3d4i n GLY 595 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4i s LYS 596 N -5.09 1.33 0.09 1.61 -2.85 -0.72 -5.03 119.74 109.09 3d4i s LYS 596 Ca 0.11 -1.01 0.07 0.00 -1.00 0.00 0.00 55.97 54.14 3d4i s LYS 596 Cb -0.05 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.15 3d4i s LYS 596 CO 0.41 -0.54 -0.12 -1.58 0.10 0.00 0.00 175.35 173.61 3d4i s TRP 597 N -3.92 2.69 -0.03 1.78 0.52 -1.26 0.25 118.94 118.96 3d4i s TRP 597 Ca 0.13 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.10 3d4i s TRP 597 Cb 0.00 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.89 3d4i s TRP 597 CO -0.00 0.39 -0.12 -0.51 0.02 0.00 0.00 176.95 176.73 3d4i s ASP 598 N -2.05 1.60 0.12 2.95 1.01 0.04 -4.71 116.67 115.64 3d4i s ASP 598 Ca 0.20 -0.26 -0.31 0.00 0.71 0.00 0.00 52.55 52.89 3d4i s ASP 598 Cb -0.11 -0.43 -0.09 0.00 1.01 0.00 0.00 42.92 43.30 3d4i s ASP 598 CO 0.11 0.10 1.60 -0.76 0.21 0.00 0.00 175.17 176.43 3d4i s LEU 599 N 0.11 4.37 0.09 1.23 1.43 -1.26 -1.08 118.68 123.58 3d4i s LEU 599 Ca -0.03 2.54 0.03 0.00 -1.03 0.00 0.00 54.13 55.64 3d4i s LEU 599 Cb -0.10 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 3d4i s LEU 599 CO 0.01 -0.84 -0.09 -0.69 0.23 0.00 0.00 176.35 174.97 3d4i s VAL 600 N 1.80 0.85 0.26 -1.59 1.01 0.09 -4.96 120.40 117.87 3d4i s VAL 600 Ca 0.71 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3d4i s VAL 600 Cb -0.42 -1.37 -0.10 0.00 0.00 0.00 0.00 36.38 34.50 3d4i s VAL 600 CO 0.32 -0.62 1.31 0.20 0.00 0.00 0.00 175.10 176.31 3d4i s ASN 601 N -2.51 6.84 0.67 3.32 0.01 -1.26 -3.96 114.94 118.05 3d4i s ASN 601 Ca 0.06 2.55 -0.17 0.00 -0.71 0.00 0.00 52.86 54.58 3d4i s ASN 601 Cb -0.02 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 3d4i s ASN 601 CO -0.01 -0.53 0.61 -2.65 -1.51 0.00 0.00 177.10 173.01 3d4i n PRO 602 N 1.78 0.43 0.00 -0.60 -0.02 -1.26 -4.89 135.00 130.44 3d4i n PRO 602 Ca 0.03 0.18 0.09 0.00 -2.02 0.00 0.00 63.50 61.79 3d4i n PRO 602 Cb 0.42 -1.86 0.45 0.00 -0.02 0.00 0.00 33.50 32.49 3d4i n PRO 602 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3d4i n PRO 603 N -0.69 0.22 -4.25 0.52 -0.04 -1.26 -4.76 135.00 124.73 3d4i n PRO 603 Ca 0.11 0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 3d4i n PRO 603 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3d4i n PRO 603 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d4i s VAL 604 N -2.65 1.20 0.89 0.52 -7.23 -1.26 -4.86 120.40 107.02 3d4i s VAL 604 Ca 0.16 -2.05 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 3d4i s VAL 604 Cb 0.12 -1.84 0.13 0.00 0.56 0.00 0.00 36.38 35.35 3d4i s VAL 604 CO 0.29 -0.72 1.09 -0.54 -0.31 0.00 0.00 175.10 174.91 3d4i s LYS 605 N -3.68 1.27 0.90 4.82 3.01 -1.26 -5.04 119.74 119.76 3d4i s LYS 605 Ca 0.16 0.78 -0.12 0.00 -1.01 0.00 0.00 55.97 55.79 3d4i s LYS 605 Cb 0.02 -1.81 0.13 0.00 -1.01 0.00 0.00 37.83 35.16 3d4i s LYS 605 CO 0.01 -2.22 1.10 -0.08 0.51 0.00 0.00 175.35 174.67 3d4i s THR 606 N -2.96 2.57 -0.18 2.17 -1.32 -1.26 -5.06 115.64 109.60 3d4i s THR 606 Ca 0.63 0.19 0.01 0.00 -1.21 0.00 0.00 61.69 61.31 3d4i s THR 606 Cb -0.18 -2.74 0.04 0.00 -1.51 0.00 0.00 72.50 68.11 3d4i s THR 606 CO 0.57 -0.24 -0.12 -0.22 -2.21 0.00 0.00 174.62 172.39 3d4i s LEU 607 N -6.17 2.13 -0.13 9.08 2.96 -1.26 -5.12 118.68 120.16 3d4i s LEU 607 Ca 0.63 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3d4i s LEU 607 Cb -0.17 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.27 3d4i s LEU 607 CO 0.56 -0.11 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.39 3d4i s THR 608 N 1.40 2.23 0.17 3.68 2.01 -1.26 -5.03 115.64 118.85 3d4i s THR 608 Ca 0.01 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 60.96 3d4i s THR 608 Cb -0.15 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.47 3d4i s THR 608 CO -0.09 0.55 0.35 -1.38 -0.69 0.00 0.00 174.62 173.35 3d4i s HIS 609 N 0.62 0.26 0.66 4.92 -3.43 -1.26 -5.18 115.29 111.89 3d4i s HIS 609 Ca -0.11 -0.62 -0.02 0.00 -0.80 0.00 0.00 55.06 53.51 3d4i s HIS 609 Cb -0.16 0.06 0.08 0.00 -1.43 0.00 0.00 32.58 31.13 3d4i s HIS 609 CO 0.03 -0.77 0.93 0.20 -2.00 0.00 0.00 174.74 173.12 3d4i s GLY 610 N -2.94 1.77 0.78 -1.38 0.00 -1.26 -5.10 107.32 99.19 3d4i s GLY 610 Ca 0.15 -1.37 -0.08 0.00 0.00 0.00 0.00 44.72 43.43 3d4i s GLY 610 CO -0.01 -0.94 1.09 0.00 0.00 0.00 0.00 173.10 173.25 3d4i s ALA 611 N -3.05 3.06 -0.10 3.20 0.00 -1.26 -5.10 121.76 118.51 3d4i s ALA 611 Ca 0.62 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 3d4i s ALA 611 Cb -0.08 -2.47 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3d4i s ALA 611 CO 0.42 -1.67 -0.07 1.21 0.00 0.00 0.00 175.76 175.66 3d4i s ASN 612 N -4.69 2.03 0.39 0.00 2.47 -1.26 -5.15 114.94 108.74 3d4i s ASN 612 Ca 0.66 -0.26 -0.05 0.00 0.42 0.00 0.00 52.86 53.63 3d4i s ASN 612 Cb -0.07 -0.77 -0.04 0.00 -1.45 0.00 0.00 41.25 38.92 3d4i s ASN 612 CO 0.47 -0.12 0.67 -0.94 -3.72 0.00 0.00 177.10 173.46 3d4i s SER 613 N 1.66 6.36 0.43 -4.21 1.04 -1.26 -5.04 113.70 112.68 3d4i s SER 613 Ca 0.03 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.02 3d4i s SER 613 Cb -0.13 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.73 3d4i s SER 613 CO -0.07 -0.39 1.12 0.54 0.98 0.00 0.00 173.24 175.43 3d4i s VAL 614 N -2.42 3.35 -0.04 5.02 0.11 -1.26 -5.03 120.40 120.13 3d4i s VAL 614 Ca 0.45 1.04 -0.01 0.00 -2.93 0.00 0.00 61.98 60.54 3d4i s VAL 614 Cb -0.10 -3.54 0.03 0.00 -1.53 0.00 0.00 36.38 31.24 3d4i s VAL 614 CO 0.37 0.01 0.03 0.12 -3.33 0.00 0.00 175.10 172.29 3d4i s PHE 615 N -1.57 0.27 -0.37 1.54 5.36 -1.26 -5.11 117.98 116.84 3d4i s PHE 615 Ca 0.60 0.07 -0.09 0.00 -0.96 0.00 0.00 56.93 56.56 3d4i s PHE 615 Cb -0.26 -0.51 0.05 0.00 -0.34 0.00 0.00 43.02 41.96 3d4i s PHE 615 CO 0.32 -0.19 0.18 1.21 -1.46 0.00 0.00 175.22 175.28 3d4i s ASN 616 N 1.66 5.55 0.50 6.13 3.84 -1.26 -4.97 114.94 126.38 3d4i s ASN 616 Ca -0.01 -1.20 0.15 0.00 0.21 0.00 0.00 52.86 52.01 3d4i s ASN 616 Cb -0.13 -1.95 1.19 0.00 -0.55 0.00 0.00 41.25 39.81 3d4i s ASN 616 CO -0.03 -0.41 2.11 4.11 -2.79 0.00 0.00 177.10 180.10 3d4i h TRP 617 N 8.34 0.12 -0.38 0.43 5.08 -2.00 -2.25 115.95 125.29 3d4i h TRP 617 Ca -0.24 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.60 3d4i h TRP 617 Cb 1.09 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.20 3d4i h TRP 617 CO 0.59 0.07 -0.28 0.00 -1.28 0.00 0.00 178.44 177.54 3d4i h ARG 618 N 0.13 0.85 -0.05 0.12 3.08 -1.93 -0.07 114.38 116.51 3d4i h ARG 618 Ca 0.06 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 59.71 3d4i h ARG 618 Cb 0.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3d4i h ARG 618 CO -0.01 1.06 0.06 -0.91 -1.07 0.00 0.00 179.97 179.10 3d4i h ASN 619 N 0.66 0.00 0.00 7.04 2.35 -1.83 -3.33 115.58 120.47 3d4i h ASN 619 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3d4i h ASN 619 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3d4i h ASN 619 CO 0.07 0.00 -0.93 0.79 -1.65 0.00 0.00 177.43 175.72 3d4i n TRP 620 N -3.83 0.00 1.16 1.19 5.03 -1.22 -5.11 117.44 114.65 3d4i n TRP 620 Ca -0.02 0.00 0.13 0.00 3.03 0.00 0.00 57.50 60.64 3d4i n TRP 620 Cb 0.15 0.04 0.23 0.00 -1.03 0.00 0.00 31.31 30.70 3d4i n TRP 620 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77