#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5c s HIS 354 N 0.00 3.76 0.29 0.66 4.02 -1.26 -5.06 115.29 117.70 1i5c s HIS 354 Ca 0.00 -2.58 -0.01 0.00 1.02 0.00 0.00 55.06 53.49 1i5c s HIS 354 Cb 0.00 -3.49 -0.04 0.00 -1.02 0.00 0.00 32.58 28.03 1i5c s HIS 354 CO 0.00 -0.88 0.50 -1.64 1.02 0.00 0.00 174.74 173.75 1i5c s MET 355 N -0.51 3.54 0.03 1.40 1.00 -1.26 -1.24 119.30 122.27 1i5c s MET 355 Ca 0.22 -0.24 -0.13 0.00 0.00 0.00 0.00 55.69 55.54 1i5c s MET 355 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 34.83 32.01 1i5c s MET 355 CO -0.08 0.24 0.28 0.14 0.00 0.00 0.00 175.02 175.60 1i5c s VAL 356 N -2.12 0.08 0.46 -6.03 -7.23 -0.87 -4.84 120.40 99.85 1i5c s VAL 356 Ca 0.41 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.64 1i5c s VAL 356 Cb -0.10 -0.87 -0.07 0.00 0.56 0.00 0.00 36.38 35.90 1i5c s VAL 356 CO 0.32 -0.38 1.26 -2.16 -0.31 0.00 0.00 175.10 173.83 1i5c s PRO 357 N -2.33 3.71 0.00 4.82 0.04 -1.26 -1.44 135.00 138.53 1i5c s PRO 357 Ca -0.07 2.04 0.11 0.00 0.04 0.00 0.00 61.00 63.12 1i5c s PRO 357 Cb -0.02 -2.52 0.53 0.00 0.04 0.00 0.00 34.50 32.53 1i5c s PRO 357 CO -0.02 -0.67 1.25 1.51 0.04 0.00 0.00 177.00 179.11 1i5c n ILE 358 N -0.35 0.81 0.21 0.56 3.06 0.69 -2.37 119.36 121.98 1i5c n ILE 358 Ca 0.06 0.20 0.14 0.00 -2.50 0.00 0.00 62.75 60.66 1i5c n ILE 358 Cb 0.45 -1.03 0.76 0.00 0.54 0.00 0.00 39.64 40.37 1i5c n ILE 358 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1i5c h SER 359 N 0.00 0.00 0.19 9.51 4.64 -1.56 0.40 113.55 126.73 1i5c h SER 359 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1i5c h SER 359 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1i5c h SER 359 CO 0.00 0.00 -0.08 -0.26 -0.87 0.00 0.00 176.83 175.62 1i5c h PHE 360 N 0.00 0.00 0.08 4.77 0.04 -1.78 0.69 116.94 120.73 1i5c h PHE 360 Ca 0.06 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.50 1i5c h PHE 360 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 1i5c h PHE 360 CO 0.00 0.08 -1.81 0.28 -0.60 0.00 0.00 178.31 176.26 1i5c n VAL 361 N -3.84 1.68 0.12 -0.55 0.31 0.12 -4.54 118.33 111.63 1i5c n VAL 361 Ca -0.02 -0.44 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 1i5c n VAL 361 Cb 0.18 -1.82 0.09 0.00 -0.91 0.00 0.00 33.84 31.37 1i5c n VAL 361 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1i5c h PHE 362 N -0.31 0.00 -0.86 3.52 -1.00 -0.84 -3.39 116.94 114.06 1i5c h PHE 362 Ca -0.42 0.00 0.22 0.00 2.81 0.00 0.00 57.97 60.58 1i5c h PHE 362 Cb 1.78 0.00 -0.14 0.00 3.61 0.00 0.00 35.95 41.20 1i5c h PHE 362 CO 0.08 0.72 0.16 -0.91 -1.61 0.00 0.00 178.31 176.75 1i5c h ASN 363 N 0.00 -0.12 0.80 2.17 2.35 -1.10 -1.49 115.58 118.19 1i5c h ASN 363 Ca -0.01 0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1i5c h ASN 363 Cb 1.29 0.30 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1i5c h ASN 363 CO 0.09 -0.18 0.00 -2.11 -1.65 0.00 0.00 177.43 173.59 1i5c n ARG 364 N -5.28 0.02 -0.13 0.81 1.85 -1.26 -4.23 116.66 108.44 1i5c n ARG 364 Ca 0.20 0.09 -0.12 0.00 -1.00 0.00 0.00 57.85 57.02 1i5c n ARG 364 Cb 0.64 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.52 1i5c n ARG 364 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 1i5c h PHE 365 N 0.00 0.87 -0.53 2.89 0.05 -1.53 -3.18 116.94 115.53 1i5c h PHE 365 Ca 0.00 -0.21 0.10 0.00 3.82 0.00 0.00 57.97 61.68 1i5c h PHE 365 Cb 0.40 -0.20 -0.08 0.00 2.00 0.00 0.00 35.95 38.07 1i5c h PHE 365 CO 0.00 0.94 0.06 -1.35 -0.18 0.00 0.00 178.31 177.78 1i5c h PRO 366 N 0.56 0.18 -0.59 1.51 0.11 -1.76 0.33 132.00 132.34 1i5c h PRO 366 Ca 0.09 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 1i5c h PRO 366 Cb 0.69 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 1i5c h PRO 366 CO 0.05 0.12 -0.01 -0.09 -0.21 0.00 0.00 178.00 177.86 1i5c h ARG 367 N 0.19 1.04 -0.55 1.05 2.43 -1.86 -0.99 114.38 115.68 1i5c h ARG 367 Ca 0.27 -0.34 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1i5c h ARG 367 Cb 0.39 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1i5c h ARG 367 CO -0.39 1.03 0.03 0.52 -1.51 0.00 0.00 179.97 179.65 1i5c h MET 368 N 0.94 0.95 -0.63 0.20 2.86 -1.40 -1.30 114.93 116.55 1i5c h MET 368 Ca 0.17 -0.29 -0.09 0.00 -2.06 0.00 0.00 59.70 57.42 1i5c h MET 368 Cb 0.56 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.10 1i5c h MET 368 CO 0.03 0.95 0.03 0.28 1.06 0.00 0.00 176.91 179.26 1i5c h VAL 369 N 0.84 1.27 -0.07 -2.22 2.07 -0.84 -0.75 116.25 116.55 1i5c h VAL 369 Ca 0.16 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1i5c h VAL 369 Cb 0.49 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1i5c h VAL 369 CO 0.02 0.41 0.03 -0.09 0.02 0.00 0.00 177.57 177.97 1i5c h ARG 370 N 1.00 0.07 -0.53 1.57 2.43 -0.93 -0.23 114.38 117.75 1i5c h ARG 370 Ca 0.18 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.27 1i5c h ARG 370 Cb 0.53 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1i5c h ARG 370 CO 0.03 0.04 0.04 -0.44 -1.51 0.00 0.00 179.97 178.13 1i5c h ASP 371 N 0.07 0.88 -0.63 -3.80 3.32 -1.11 -2.24 116.42 112.91 1i5c h ASP 371 Ca 0.03 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1i5c h ASP 371 Cb 0.01 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 1i5c h ASP 371 CO -0.02 0.95 0.28 0.25 -1.72 0.00 0.00 179.24 178.97 1i5c h LEU 372 N 0.78 0.85 -0.95 1.55 5.85 -0.94 -0.28 115.31 122.17 1i5c h LEU 372 Ca 0.15 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1i5c h LEU 372 Cb 0.47 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1i5c h LEU 372 CO 0.02 0.77 0.36 0.00 -0.34 0.00 0.00 178.44 179.25 1i5c h ALA 373 N 1.12 1.17 -0.42 1.25 0.00 -0.94 -1.52 119.26 119.92 1i5c h ALA 373 Ca 0.21 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1i5c h ALA 373 Cb 0.17 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1i5c h ALA 373 CO -0.02 0.62 -0.26 -0.22 0.00 0.00 0.00 179.25 179.37 1i5c h LYS 374 N 1.10 0.90 -0.41 0.00 3.64 -0.90 -0.12 116.57 120.77 1i5c h LYS 374 Ca 0.26 -0.40 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 1i5c h LYS 374 Cb 0.13 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1i5c h LYS 374 CO -0.03 1.05 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.89 1i5c h LYS 375 N 0.77 0.71 -0.68 1.90 1.63 -0.61 -2.93 116.57 117.36 1i5c h LYS 375 Ca 0.09 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1i5c h LYS 375 Cb 0.82 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1i5c h LYS 375 CO 0.07 0.79 0.00 -1.33 -3.45 0.00 0.00 179.45 175.53 1i5c n MET 376 N -4.18 3.46 -3.83 1.90 2.81 -0.61 -4.98 117.12 111.68 1i5c n MET 376 Ca 0.01 -2.84 -0.36 0.00 -1.81 0.00 0.00 57.70 52.71 1i5c n MET 376 Cb 0.34 -1.81 0.03 0.00 -0.71 0.00 0.00 33.22 31.07 1i5c n MET 376 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1i5c n ASN 377 N 1.30 -4.91 -4.19 7.83 2.85 -0.58 -5.00 115.26 112.56 1i5c n ASN 377 Ca 0.26 -1.08 -0.21 0.00 -0.11 0.00 0.00 54.58 53.43 1i5c n ASN 377 Cb 0.82 -2.54 -0.13 0.00 1.24 0.00 0.00 39.78 39.17 1i5c n ASN 377 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1i5c s LYS 378 N -6.30 0.98 -0.37 1.20 -0.14 -0.16 -4.76 119.74 110.19 1i5c s LYS 378 Ca 0.40 -0.90 -0.15 0.00 -1.36 0.00 0.00 55.97 53.95 1i5c s LYS 378 Cb -0.18 -1.04 0.00 0.00 -1.68 0.00 0.00 37.83 34.93 1i5c s LYS 378 CO 0.91 0.25 0.36 -1.21 -0.76 0.00 0.00 175.35 174.89 1i5c s GLU 379 N -1.45 3.35 -0.12 1.68 2.02 -1.26 -4.49 118.70 118.43 1i5c s GLU 379 Ca 0.02 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.40 1i5c s GLU 379 Cb -0.09 -3.87 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1i5c s GLU 379 CO 0.02 -0.63 -0.17 0.08 0.02 0.00 0.00 175.26 174.58 1i5c s VAL 380 N 1.96 1.63 -0.57 2.63 1.01 -1.26 -0.87 120.40 124.93 1i5c s VAL 380 Ca 0.10 -0.72 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1i5c s VAL 380 Cb -0.17 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1i5c s VAL 380 CO 0.12 0.47 0.64 0.21 0.00 0.00 0.00 175.10 176.54 1i5c s ASN 381 N 0.94 6.19 -0.23 3.32 2.47 0.57 -4.97 114.94 123.23 1i5c s ASN 381 Ca -0.07 -1.45 -0.16 0.00 0.42 0.00 0.00 52.86 51.61 1i5c s ASN 381 Cb -0.15 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.33 1i5c s ASN 381 CO -0.02 -1.03 0.41 0.12 -3.72 0.00 0.00 177.10 172.86 1i5c s PHE 382 N 2.43 3.31 -0.08 0.43 5.36 -1.26 -1.46 117.98 126.72 1i5c s PHE 382 Ca 0.10 0.55 0.05 0.00 -0.96 0.00 0.00 56.93 56.66 1i5c s PHE 382 Cb -0.25 -2.57 -0.00 0.00 -0.34 0.00 0.00 43.02 39.86 1i5c s PHE 382 CO 0.06 -0.12 -0.23 0.42 -1.46 0.00 0.00 175.22 173.89 1i5c s ILE 383 N 1.72 1.92 -0.07 3.12 1.01 -0.15 -5.00 121.20 123.75 1i5c s ILE 383 Ca 0.18 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.91 1i5c s ILE 383 Cb -0.15 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 1i5c s ILE 383 CO 0.09 0.53 -0.23 -0.04 0.00 0.00 0.00 174.94 175.29 1i5c s MET 384 N 0.14 2.73 0.04 2.79 -1.94 -1.26 -0.66 119.30 121.15 1i5c s MET 384 Ca -0.11 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.05 1i5c s MET 384 Cb -0.16 -2.25 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 1i5c s MET 384 CO 0.06 0.34 -0.14 1.03 -0.01 0.00 0.00 175.02 176.29 1i5c s ARG 385 N -0.05 0.96 -0.90 2.03 0.52 -0.19 -4.85 118.95 116.47 1i5c s ARG 385 Ca -0.07 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.35 1i5c s ARG 385 Cb -0.15 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.35 1i5c s ARG 385 CO 0.05 0.24 0.38 0.41 0.02 0.00 0.00 175.30 176.40 1i5c n GLY 386 N 1.90 -0.01 0.06 -3.53 0.00 -1.26 -2.17 105.19 100.17 1i5c n GLY 386 Ca -0.18 -0.24 0.06 0.00 0.00 0.00 0.00 46.02 45.65 1i5c n GLY 386 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i5c n GLU 387 N -2.70 0.06 0.00 1.61 4.71 -1.26 -1.37 120.64 121.68 1i5c n GLU 387 Ca -0.06 0.48 0.13 0.00 -0.01 0.00 0.00 57.16 57.69 1i5c n GLU 387 Cb 0.57 -1.66 0.38 0.00 -1.01 0.00 0.00 31.44 29.72 1i5c n GLU 387 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1i5c n ASP 388 N -1.78 0.42 -4.68 1.62 10.43 -1.26 -1.59 116.55 119.71 1i5c n ASP 388 Ca 0.01 -0.15 -0.43 0.00 2.57 0.00 0.00 54.79 56.79 1i5c n ASP 388 Cb 0.07 0.03 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 1i5c n ASP 388 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1i5c n THR 389 N -1.38 0.47 -3.24 -3.53 -1.04 -0.47 -4.61 114.28 100.48 1i5c n THR 389 Ca 0.07 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1i5c n THR 389 Cb 0.33 -2.15 -0.06 0.00 -1.82 0.00 0.00 70.33 66.63 1i5c n THR 389 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1i5c s GLU 390 N 3.20 3.97 0.14 -2.82 2.02 -1.26 -0.23 118.70 123.72 1i5c s GLU 390 Ca 0.84 0.56 -0.07 0.00 0.02 0.00 0.00 54.97 56.32 1i5c s GLU 390 Cb -0.48 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.14 1i5c s GLU 390 CO 0.39 0.26 0.22 -0.48 0.02 0.00 0.00 175.26 175.67 1i5c s LEU 391 N -2.72 1.22 -0.04 1.80 2.34 -0.52 -4.89 118.68 115.87 1i5c s LEU 391 Ca 0.49 -0.90 -0.35 0.00 0.06 0.00 0.00 54.13 53.44 1i5c s LEU 391 Cb -0.12 0.98 -0.13 0.00 -0.56 0.00 0.00 46.19 46.36 1i5c s LEU 391 CO 0.19 -0.83 1.76 -0.67 -1.06 0.00 0.00 176.35 175.74 1i5c n ASP 392 N -0.16 3.12 0.14 1.48 4.64 -1.26 -2.05 116.55 122.45 1i5c n ASP 392 Ca -0.08 1.02 0.19 0.00 -1.38 0.00 0.00 54.79 54.53 1i5c n ASP 392 Cb 0.63 -1.34 0.78 0.00 -1.04 0.00 0.00 41.12 40.14 1i5c n ASP 392 CO 0.00 0.00 0.00 0.08 -0.82 0.00 0.00 177.20 176.46 1i5c h ARG 393 N 7.89 0.00 0.00 -0.67 0.11 -1.50 0.70 114.38 120.91 1i5c h ARG 393 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 1i5c h ARG 393 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 1i5c h ARG 393 CO 0.93 0.00 0.00 0.25 0.10 0.00 0.00 179.97 181.25 1i5c n THR 394 N -3.86 0.45 0.06 0.08 -2.24 -1.26 -2.79 114.28 104.72 1i5c n THR 394 Ca 0.05 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1i5c n THR 394 Cb 0.47 -0.75 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 1i5c n THR 394 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1i5c h PHE 395 N 0.00 0.00 -0.51 4.78 0.05 -1.21 -3.40 116.94 116.65 1i5c h PHE 395 Ca 0.00 0.00 0.10 0.00 3.82 0.00 0.00 57.97 61.89 1i5c h PHE 395 Cb 0.31 0.00 -0.10 0.00 2.00 0.00 0.00 35.95 38.15 1i5c h PHE 395 CO 0.00 0.58 -0.28 0.28 -0.18 0.00 0.00 178.31 178.71 1i5c h VAL 396 N 0.00 0.26 0.00 -0.55 2.07 -1.62 -1.05 116.25 115.36 1i5c h VAL 396 Ca -0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1i5c h VAL 396 Cb 1.54 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1i5c h VAL 396 CO 0.06 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.32 1i5c h GLU 397 N -0.16 0.00 0.01 1.57 4.39 -1.79 -3.18 114.58 115.41 1i5c h GLU 397 Ca 0.22 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.61 1i5c h GLU 397 Cb 0.52 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1i5c h GLU 397 CO -0.60 0.00 -1.86 0.39 -1.16 0.00 0.00 179.01 175.78 1i5c n GLU 398 N -2.52 0.65 0.09 2.33 1.02 -0.83 -4.37 120.64 117.01 1i5c n GLU 398 Ca 0.04 0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 1i5c n GLU 398 Cb 0.38 -1.74 0.15 0.00 -0.02 0.00 0.00 31.44 30.22 1i5c n GLU 398 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1i5c h ILE 399 N 0.00 0.00 0.34 -3.67 2.10 -1.28 -3.41 117.51 111.59 1i5c h ILE 399 Ca -0.35 -0.66 -0.00 0.00 1.08 0.00 0.00 64.86 64.94 1i5c h ILE 399 Cb 2.06 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 39.06 1i5c h ILE 399 CO 0.07 0.00 -0.33 1.23 -1.08 0.00 0.00 178.15 178.04 1i5c h GLY 400 N 4.34 -0.76 1.02 8.18 0.00 -1.75 -2.20 103.07 111.91 1i5c h GLY 400 Ca 0.00 0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.64 1i5c h GLY 400 CO 0.00 -0.28 0.11 0.83 0.00 0.00 0.00 176.54 177.20 1i5c h GLU 401 N -0.69 0.96 -0.61 4.80 4.39 -1.85 -1.92 114.58 119.66 1i5c h GLU 401 Ca -0.02 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.48 1i5c h GLU 401 Cb 0.62 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1i5c h GLU 401 CO -0.06 0.90 0.35 -1.35 -1.16 0.00 0.00 179.01 177.70 1i5c h PRO 402 N 0.86 0.66 -0.61 2.33 0.11 -1.76 0.01 132.00 133.59 1i5c h PRO 402 Ca 0.18 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 1i5c h PRO 402 Cb 0.39 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 1i5c h PRO 402 CO 0.01 0.43 0.08 -0.07 -0.21 0.00 0.00 178.00 178.25 1i5c h LEU 403 N 0.67 0.95 -0.72 2.35 3.38 -1.28 -2.42 115.31 118.25 1i5c h LEU 403 Ca 0.26 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1i5c h LEU 403 Cb 0.11 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1i5c h LEU 403 CO -0.14 0.96 0.40 0.25 0.09 0.00 0.00 178.44 180.00 1i5c h LEU 404 N 0.94 0.90 -0.81 1.67 5.85 -0.69 -1.77 115.31 121.41 1i5c h LEU 404 Ca 0.19 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1i5c h LEU 404 Cb 0.43 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1i5c h LEU 404 CO 0.01 0.74 0.52 -0.74 -0.34 0.00 0.00 178.44 178.63 1i5c h HIS 405 N 1.00 0.98 -0.50 1.25 2.76 -0.62 0.19 115.15 120.22 1i5c h HIS 405 Ca 0.26 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.39 1i5c h HIS 405 Cb 0.03 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.64 1i5c h HIS 405 CO -0.00 0.58 0.07 -0.07 -1.30 0.00 0.00 177.93 177.21 1i5c h LEU 406 N 1.03 0.75 -0.37 0.26 3.38 -0.96 -0.49 115.31 118.91 1i5c h LEU 406 Ca 0.32 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1i5c h LEU 406 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1i5c h LEU 406 CO -0.10 0.77 -0.10 -0.07 0.09 0.00 0.00 178.44 179.02 1i5c h LEU 407 N 0.76 0.72 -0.44 1.67 3.38 -0.56 -2.16 115.31 118.68 1i5c h LEU 407 Ca 0.16 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1i5c h LEU 407 Cb 0.35 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1i5c h LEU 407 CO 0.01 0.93 0.29 -0.09 0.09 0.00 0.00 178.44 179.67 1i5c h ARG 408 N 0.51 0.59 -0.77 1.13 2.43 -0.63 -2.12 114.38 115.51 1i5c h ARG 408 Ca 0.09 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 1i5c h ARG 408 Cb 0.62 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.97 1i5c h ARG 408 CO 0.04 0.39 0.43 -0.91 -1.51 0.00 0.00 179.97 178.42 1i5c h ASN 409 N 0.60 0.62 -0.23 -3.80 2.35 -0.94 0.15 115.58 114.33 1i5c h ASN 409 Ca 0.16 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1i5c h ASN 409 Cb -0.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1i5c h ASN 409 CO -0.03 0.37 0.14 0.00 -1.65 0.00 0.00 177.43 176.25 1i5c h ALA 410 N 1.42 0.30 -0.28 -0.83 0.00 -0.87 0.23 119.26 119.24 1i5c h ALA 410 Ca 0.37 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1i5c h ALA 410 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1i5c h ALA 410 CO -0.23 -0.19 -0.46 0.82 0.00 0.00 0.00 179.25 179.19 1i5c h ILE 411 N 0.29 1.29 0.00 0.00 2.04 -0.84 0.16 117.51 120.45 1i5c h ILE 411 Ca 0.08 -1.65 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1i5c h ILE 411 Cb 0.02 1.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1i5c h ILE 411 CO -0.02 0.53 -0.07 -0.78 0.00 0.00 0.00 178.15 177.81 1i5c h ASP 412 N 0.59 0.00 0.65 1.72 -0.00 -0.62 -3.40 116.42 115.36 1i5c h ASP 412 Ca 0.04 -0.23 -0.18 0.00 -0.00 0.00 0.00 57.03 56.66 1i5c h ASP 412 Cb 1.02 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.31 1i5c h ASP 412 CO 0.10 0.65 -1.48 1.41 -0.00 0.00 0.00 179.24 179.92 1i5c n HIS 413 N -4.72 0.93 0.00 0.28 8.25 0.77 -4.78 115.22 115.95 1i5c n HIS 413 Ca -0.04 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1i5c n HIS 413 Cb 0.14 -1.08 0.00 0.00 1.12 0.00 0.00 29.99 30.17 1i5c n HIS 413 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i5c n GLY 414 N 1.41 1.10 3.67 -1.41 0.00 -0.50 -4.69 105.19 104.78 1i5c n GLY 414 Ca -0.11 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.41 1i5c n GLY 414 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1i5c n ILE 415 N -0.81 0.26 -2.87 -0.61 2.08 0.45 -1.77 119.36 116.10 1i5c n ILE 415 Ca 0.00 -0.05 -0.27 0.00 0.56 0.00 0.00 62.75 62.99 1i5c n ILE 415 Cb 0.00 -1.47 -0.01 0.00 -0.75 0.00 0.00 39.64 37.41 1i5c n ILE 415 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1i5c s GLU 416 N 2.46 3.58 0.56 0.38 8.01 -1.26 -4.81 118.70 127.61 1i5c s GLU 416 Ca 0.89 0.13 -0.21 0.00 0.01 0.00 0.00 54.97 55.79 1i5c s GLU 416 Cb -0.81 -2.46 -0.05 0.00 -4.31 0.00 0.00 34.13 26.50 1i5c s GLU 416 CO 0.50 -0.07 1.24 -2.30 0.01 0.00 0.00 175.26 174.64 1i5c n PRO 417 N -1.87 1.44 -0.35 0.39 -0.02 -1.26 -4.64 135.00 128.69 1i5c n PRO 417 Ca -0.00 0.54 0.25 0.00 -2.02 0.00 0.00 63.50 62.26 1i5c n PRO 417 Cb 0.55 -2.44 0.49 0.00 -0.02 0.00 0.00 33.50 32.08 1i5c n PRO 417 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1i5c h LYS 418 N 1.16 0.32 -0.25 -0.52 3.64 -1.86 0.12 116.57 119.18 1i5c h LYS 418 Ca -0.50 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.75 1i5c h LYS 418 Cb 1.32 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 1i5c h LYS 418 CO 0.55 0.21 -0.32 0.93 -2.27 0.00 0.00 179.45 178.55 1i5c h GLU 419 N 0.33 0.53 -0.22 1.90 5.08 -1.92 -2.58 114.58 117.71 1i5c h GLU 419 Ca 0.72 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 58.65 1i5c h GLU 419 Cb 1.73 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.97 1i5c h GLU 419 CO -0.53 0.79 -0.62 1.49 -1.00 0.00 0.00 179.01 179.14 1i5c h GLU 420 N 0.46 0.81 -0.78 2.33 4.81 -1.13 -2.80 114.58 118.27 1i5c h GLU 420 Ca 0.05 -0.58 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1i5c h GLU 420 Cb 0.78 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1i5c h GLU 420 CO 0.06 1.20 0.36 0.00 -0.73 0.00 0.00 179.01 179.90 1i5c h ARG 421 N 0.56 1.14 -0.43 1.92 3.08 -1.30 -2.25 114.38 117.09 1i5c h ARG 421 Ca -0.02 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1i5c h ARG 421 Cb 1.24 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 1i5c h ARG 421 CO 0.13 0.89 0.23 0.82 -1.07 0.00 0.00 179.97 180.97 1i5c h ILE 422 N 1.11 1.17 -0.02 2.04 2.04 -1.45 -0.15 117.51 122.25 1i5c h ILE 422 Ca 0.27 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1i5c h ILE 422 Cb 0.15 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1i5c h ILE 422 CO -0.03 0.18 0.02 0.00 0.00 0.00 0.00 178.15 178.31 1i5c h ALA 423 N 1.07 1.87 -0.00 1.87 0.00 -1.21 0.99 119.26 123.85 1i5c h ALA 423 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i5c h ALA 423 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1i5c h ALA 423 CO -0.02 -0.03 -0.17 1.63 0.00 0.00 0.00 179.25 180.66 1i5c n LYS 424 N -4.31 0.55 -1.59 0.00 5.02 -0.61 -4.92 118.16 112.29 1i5c n LYS 424 Ca -0.02 -0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 1i5c n LYS 424 Cb 0.11 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1i5c n LYS 424 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5c n GLY 425 N 1.34 0.38 3.57 0.72 0.00 0.34 -5.05 105.19 106.48 1i5c n GLY 425 Ca 0.12 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1i5c n GLY 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i5c s LYS 426 N -3.19 2.04 0.39 1.61 1.02 -0.17 -5.01 119.74 116.43 1i5c s LYS 426 Ca 0.00 -1.35 -0.27 0.00 0.02 0.00 0.00 55.97 54.37 1i5c s LYS 426 Cb 0.00 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 35.09 1i5c s LYS 426 CO 0.00 0.41 1.34 -2.30 -0.92 0.00 0.00 175.35 173.88 1i5c n PRO 427 N -0.17 2.20 -0.35 -1.68 -0.02 -1.26 -3.69 135.00 130.04 1i5c n PRO 427 Ca -0.10 0.78 0.11 0.00 -2.02 0.00 0.00 63.50 62.27 1i5c n PRO 427 Cb 0.56 -2.45 0.29 0.00 -0.02 0.00 0.00 33.50 31.88 1i5c n PRO 427 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1i5c h PRO 428 N 2.46 0.77 -6.09 0.52 0.11 -1.90 -3.40 132.00 124.46 1i5c h PRO 428 Ca -0.48 -0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.02 1i5c h PRO 428 Cb 1.28 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1i5c h PRO 428 CO 0.62 0.51 0.32 0.42 -0.21 0.00 0.00 178.00 179.66 1i5c s ILE 429 N -5.90 4.91 0.46 4.15 1.01 -1.26 -4.46 121.20 120.12 1i5c s ILE 429 Ca -0.12 1.70 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 1i5c s ILE 429 Cb 0.24 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1i5c s ILE 429 CO 0.80 0.11 0.79 -0.83 0.00 0.00 0.00 174.94 175.81 1i5c s GLY 430 N 1.02 1.63 -0.08 6.18 0.00 -0.05 -4.89 107.32 111.13 1i5c s GLY 430 Ca 0.42 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 44.78 1i5c s GLY 430 CO 0.17 -0.22 -0.23 -1.59 0.00 0.00 0.00 173.10 171.23 1i5c s THR 431 N -2.65 1.93 -0.15 0.90 2.01 -1.26 -0.31 115.64 116.11 1i5c s THR 431 Ca 0.49 -0.96 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1i5c s THR 431 Cb -0.10 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.76 1i5c s THR 431 CO 0.41 0.53 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.50 1i5c s LEU 432 N 0.25 1.76 -0.12 4.42 0.20 -0.53 -2.58 118.68 122.08 1i5c s LEU 432 Ca -0.15 -0.50 0.02 0.00 0.69 0.00 0.00 54.13 54.20 1i5c s LEU 432 Cb -0.17 -1.21 -0.00 0.00 -0.43 0.00 0.00 46.19 44.38 1i5c s LEU 432 CO 0.07 -0.03 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.27 1i5c s ILE 433 N 1.35 2.33 -0.19 6.68 1.01 0.12 -0.97 121.20 131.52 1i5c s ILE 433 Ca 0.03 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1i5c s ILE 433 Cb -0.13 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1i5c s ILE 433 CO -0.09 0.54 -0.11 -0.22 0.00 0.00 0.00 174.94 175.06 1i5c s LEU 434 N 0.53 2.57 0.09 2.97 2.96 0.17 -0.94 118.68 127.04 1i5c s LEU 434 Ca -0.13 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.32 1i5c s LEU 434 Cb -0.17 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1i5c s LEU 434 CO 0.04 0.01 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.07 1i5c s SER 435 N 1.26 1.20 0.00 3.68 1.04 -0.41 -1.02 113.70 119.44 1i5c s SER 435 Ca 0.03 -0.91 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 1i5c s SER 435 Cb -0.14 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 1i5c s SER 435 CO -0.06 -0.38 0.07 0.00 0.98 0.00 0.00 173.24 173.85 1i5c s ALA 436 N -3.07 -0.14 0.15 5.32 0.00 -0.92 -1.25 121.76 121.85 1i5c s ALA 436 Ca 0.08 -0.24 -0.25 0.00 0.00 0.00 0.00 51.96 51.55 1i5c s ALA 436 Cb 0.01 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.28 1i5c s ALA 436 CO -0.03 -0.16 0.93 -0.98 0.00 0.00 0.00 175.76 175.52 1i5c s ARG 437 N -1.16 1.20 -0.19 0.00 1.70 -0.66 -4.33 118.95 115.52 1i5c s ARG 437 Ca -0.13 -0.65 -0.09 0.00 -0.47 0.00 0.00 55.73 54.40 1i5c s ARG 437 Cb -0.07 0.42 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 1i5c s ARG 437 CO 0.00 -0.55 0.11 -1.01 -1.08 0.00 0.00 175.30 172.78 1i5c s HIS 438 N -3.32 3.39 -0.10 5.89 3.76 -1.26 -0.36 115.29 123.29 1i5c s HIS 438 Ca 0.11 0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 55.31 1i5c s HIS 438 Cb -0.02 -2.12 0.03 0.00 1.11 0.00 0.00 32.58 31.58 1i5c s HIS 438 CO 0.01 0.30 -0.05 -2.00 -0.85 0.00 0.00 174.74 172.16 1i5c s GLU 439 N 0.23 1.23 3.69 1.40 2.56 -0.34 -4.95 118.70 122.52 1i5c s GLU 439 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.97 54.90 1i5c s GLU 439 Cb -0.11 -1.41 0.00 0.00 2.00 0.00 0.00 34.13 34.61 1i5c s GLU 439 CO -0.01 -0.28 0.00 0.41 -0.56 0.00 0.00 175.26 174.82 1i5c n GLY 440 N 5.01 0.51 0.49 -1.50 0.00 -1.26 0.03 105.19 108.46 1i5c n GLY 440 Ca -0.11 0.56 0.02 0.00 0.00 0.00 0.00 46.02 46.50 1i5c n GLY 440 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i5c n ASN 441 N 7.18 0.47 -4.63 1.61 5.15 -1.26 -5.09 115.26 118.69 1i5c n ASN 441 Ca 0.00 -2.20 -0.26 0.00 -0.60 0.00 0.00 54.58 51.51 1i5c n ASN 441 Cb 0.00 -0.25 -0.10 0.00 -0.53 0.00 0.00 39.78 38.91 1i5c n ASN 441 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1i5c s ASN 442 N -1.40 4.01 -0.23 1.20 0.01 0.10 -2.24 114.94 116.40 1i5c s ASN 442 Ca 0.08 -1.19 -0.05 0.00 -0.71 0.00 0.00 52.86 50.99 1i5c s ASN 442 Cb 0.07 -0.43 -0.01 0.00 0.41 0.00 0.00 41.25 41.29 1i5c s ASN 442 CO -0.01 -0.36 -0.01 -0.69 -1.51 0.00 0.00 177.10 174.52 1i5c s VAL 443 N -2.62 3.65 -0.21 1.60 1.01 -0.23 -1.20 120.40 122.41 1i5c s VAL 443 Ca 0.35 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 1i5c s VAL 443 Cb 0.05 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1i5c s VAL 443 CO 0.19 0.40 0.05 -0.69 0.00 0.00 0.00 175.10 175.05 1i5c s VAL 444 N 1.47 4.46 -0.12 2.92 1.01 0.51 -1.35 120.40 129.30 1i5c s VAL 444 Ca 0.06 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1i5c s VAL 444 Cb -0.14 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1i5c s VAL 444 CO -0.01 0.41 -0.22 -0.63 0.00 0.00 0.00 175.10 174.66 1i5c s ILE 445 N 0.87 2.20 0.01 2.22 1.01 0.58 -1.65 121.20 126.44 1i5c s ILE 445 Ca 0.03 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.80 1i5c s ILE 445 Cb -0.14 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1i5c s ILE 445 CO 0.02 0.55 -0.23 -1.61 0.00 0.00 0.00 174.94 173.67 1i5c s GLU 446 N 0.54 1.75 -0.24 2.79 2.02 -0.38 0.17 118.70 125.36 1i5c s GLU 446 Ca -0.13 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 53.95 1i5c s GLU 446 Cb -0.17 -1.78 0.06 0.00 0.10 0.00 0.00 34.13 32.35 1i5c s GLU 446 CO 0.04 0.48 -0.03 0.08 0.02 0.00 0.00 175.26 175.84 1i5c s VAL 447 N -0.65 1.43 -0.02 2.63 1.01 -0.32 -1.29 120.40 123.18 1i5c s VAL 447 Ca 0.09 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 60.91 1i5c s VAL 447 Cb -0.09 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1i5c s VAL 447 CO 0.00 -0.16 -0.15 -0.70 0.00 0.00 0.00 175.10 174.09 1i5c s GLU 448 N 1.43 1.38 0.13 2.72 2.12 -0.11 -1.22 118.70 125.14 1i5c s GLU 448 Ca -0.04 -0.54 0.05 0.00 0.36 0.00 0.00 54.97 54.80 1i5c s GLU 448 Cb -0.19 -1.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 1i5c s GLU 448 CO -0.07 0.28 -0.12 0.16 -0.54 0.00 0.00 175.26 174.96 1i5c s ASP 449 N -0.16 1.84 -0.61 -1.70 -4.77 -0.28 0.13 116.67 111.13 1i5c s ASP 449 Ca 0.02 -0.87 0.01 0.00 -3.30 0.00 0.00 52.55 48.40 1i5c s ASP 449 Cb -0.08 -0.04 0.43 0.00 -1.09 0.00 0.00 42.92 42.14 1i5c s ASP 449 CO 0.00 -0.22 1.77 -0.90 0.70 0.00 0.00 175.17 176.53 1i5c n ASP 450 N 0.33 6.82 -2.53 2.11 3.85 -1.06 -1.89 116.55 124.16 1i5c n ASP 450 Ca -0.14 -3.79 0.00 0.00 -0.71 0.00 0.00 54.79 50.15 1i5c n ASP 450 Cb 0.58 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 1i5c n ASP 450 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1i5c n GLY 451 N -0.76 0.18 0.18 6.12 0.00 -1.25 -4.63 105.19 105.04 1i5c n GLY 451 Ca 0.55 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 45.06 1i5c n GLY 451 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1i5c h ARG 452 N 0.00 0.00 0.00 1.61 0.11 -1.62 -2.69 114.38 111.79 1i5c h ARG 452 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1i5c h ARG 452 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1i5c h ARG 452 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 1i5c n GLY 453 N 0.29 -0.64 3.75 0.08 0.00 -1.26 0.62 105.19 108.02 1i5c n GLY 453 Ca 0.02 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1i5c n GLY 453 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i5c s ILE 454 N -3.03 3.13 -0.81 -0.61 1.01 -1.26 -4.84 121.20 114.79 1i5c s ILE 454 Ca 0.00 0.98 -0.24 0.00 0.00 0.00 0.00 60.65 61.40 1i5c s ILE 454 Cb 0.00 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.90 1i5c s ILE 454 CO 0.00 0.17 1.21 -0.62 0.00 0.00 0.00 174.94 175.70 1i5c s ASP 455 N 0.06 6.31 0.45 3.58 3.68 -1.26 -4.80 116.67 124.69 1i5c s ASP 455 Ca 0.54 -1.08 0.19 0.00 2.13 0.00 0.00 52.55 54.33 1i5c s ASP 455 Cb -0.37 -2.50 1.07 0.00 -1.45 0.00 0.00 42.92 39.67 1i5c s ASP 455 CO 0.41 -1.53 1.96 0.11 0.13 0.00 0.00 175.17 176.25 1i5c h LYS 456 N 9.66 0.00 -0.08 4.34 1.57 -1.99 -2.38 116.57 127.69 1i5c h LYS 456 Ca -0.10 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1i5c h LYS 456 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 1i5c h LYS 456 CO 1.26 0.22 0.04 1.49 -0.57 0.00 0.00 179.45 181.89 1i5c h GLU 457 N 0.00 0.11 -0.63 3.15 4.81 -2.00 -1.86 114.58 118.16 1i5c h GLU 457 Ca -0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1i5c h GLU 457 Cb 0.45 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1i5c h GLU 457 CO 0.03 0.19 0.17 -0.22 -0.73 0.00 0.00 179.01 178.44 1i5c h LYS 458 N 0.01 0.97 -0.48 1.92 3.64 -1.89 -2.01 116.57 118.72 1i5c h LYS 458 Ca 0.03 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1i5c h LYS 458 Cb 0.11 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1i5c h LYS 458 CO -0.00 0.85 0.27 0.82 -2.27 0.00 0.00 179.45 179.12 1i5c h ILE 459 N 0.93 1.17 -0.60 2.00 2.04 -1.17 -0.37 117.51 121.51 1i5c h ILE 459 Ca 0.20 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1i5c h ILE 459 Cb 0.31 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1i5c h ILE 459 CO -0.00 0.18 0.39 0.40 0.00 0.00 0.00 178.15 179.12 1i5c h ILE 460 N 0.64 1.16 -1.00 -0.67 2.04 -1.10 0.31 117.51 118.89 1i5c h ILE 460 Ca 0.17 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1i5c h ILE 460 Cb 0.05 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.35 1i5c h ILE 460 CO -0.03 0.15 0.65 0.03 0.00 0.00 0.00 178.15 178.96 1i5c h ARG 461 N 0.81 1.23 -0.30 2.37 3.08 -0.86 -0.45 114.38 120.27 1i5c h ARG 461 Ca 0.22 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1i5c h ARG 461 Cb -0.09 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 1i5c h ARG 461 CO -0.05 0.81 -0.27 0.87 -1.07 0.00 0.00 179.97 180.26 1i5c h LYS 462 N 1.27 0.71 -0.75 0.04 1.57 -0.15 -1.30 116.57 117.95 1i5c h LYS 462 Ca 0.40 -0.37 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1i5c h LYS 462 Cb -0.00 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1i5c h LYS 462 CO -0.12 0.98 0.48 0.00 -0.57 0.00 0.00 179.45 180.21 1i5c h ALA 463 N 0.72 0.99 -0.30 3.86 0.00 0.14 -0.04 119.26 124.63 1i5c h ALA 463 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1i5c h ALA 463 Cb 0.84 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1i5c h ALA 463 CO 0.07 0.27 -0.14 0.82 0.00 0.00 0.00 179.25 180.27 1i5c h ILE 464 N 0.93 1.29 -0.41 0.00 2.04 -1.01 -0.01 117.51 120.34 1i5c h ILE 464 Ca 0.30 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 1i5c h ILE 464 Cb 0.02 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1i5c h ILE 464 CO -0.11 0.40 0.21 -0.08 0.00 0.00 0.00 178.15 178.57 1i5c h GLU 465 N 0.37 0.56 -0.22 2.37 4.81 -0.78 -1.91 114.58 119.78 1i5c h GLU 465 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1i5c h GLU 465 Cb 0.66 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1i5c h GLU 465 CO 0.04 0.42 0.00 1.63 -0.73 0.00 0.00 179.01 180.38 1i5c n LYS 466 N -4.42 1.62 -1.30 1.92 5.02 -0.07 -4.90 118.16 116.02 1i5c n LYS 466 Ca 0.03 -0.95 -0.10 0.00 -2.02 0.00 0.00 58.31 55.27 1i5c n LYS 466 Cb 0.10 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 1i5c n LYS 466 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5c n GLY 467 N 0.99 1.16 0.10 0.72 0.00 -0.72 -4.88 105.19 102.55 1i5c n GLY 467 Ca 0.12 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.84 1i5c n GLY 467 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i5c n LEU 468 N -1.18 0.80 -3.55 0.99 4.77 -0.03 -4.89 117.00 113.91 1i5c n LEU 468 Ca -0.10 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.24 1i5c n LEU 468 Cb 0.37 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1i5c n LEU 468 CO 0.16 -0.15 0.64 -0.51 -1.33 0.00 0.00 177.39 176.19 1i5c s ILE 469 N -3.12 0.00 0.49 -0.08 2.07 -1.19 -4.98 121.20 114.38 1i5c s ILE 469 Ca 0.10 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.19 1i5c s ILE 469 Cb 0.12 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.64 1i5c s ILE 469 CO 0.63 0.00 0.92 -0.62 -1.91 0.00 0.00 174.94 173.95 1i5c s ASP 470 N -1.28 6.57 0.37 4.50 3.68 -1.26 -4.23 116.67 125.02 1i5c s ASP 470 Ca -0.05 1.42 0.11 0.00 2.13 0.00 0.00 52.55 56.16 1i5c s ASP 470 Cb -0.00 -2.45 0.72 0.00 -1.45 0.00 0.00 42.92 39.74 1i5c s ASP 470 CO 0.03 -0.54 1.84 1.05 0.13 0.00 0.00 175.17 177.69 1i5c h GLU 471 N 0.96 0.09 0.00 4.34 -0.00 -1.99 -2.56 114.58 115.42 1i5c h GLU 471 Ca -0.47 -0.03 -0.01 0.00 -0.00 0.00 0.00 59.36 58.85 1i5c h GLU 471 Cb 1.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.93 1i5c h GLU 471 CO 0.62 0.39 -0.05 0.66 -0.00 0.00 0.00 179.01 180.63 1i5c h SER 472 N 0.09 0.00 0.29 3.06 4.64 -2.04 -2.18 113.55 117.40 1i5c h SER 472 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1i5c h SER 472 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1i5c h SER 472 CO 0.04 0.05 -1.09 1.17 -0.87 0.00 0.00 176.83 176.14 1i5c n LYS 473 N -3.28 0.24 -0.06 4.77 3.00 -0.98 -4.33 118.16 117.53 1i5c n LYS 473 Ca -0.01 -0.02 -0.06 0.00 -0.00 0.00 0.00 58.31 58.22 1i5c n LYS 473 Cb 0.24 -1.56 0.13 0.00 0.00 0.00 0.00 35.03 33.84 1i5c n LYS 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1i5c h ALA 474 N 2.62 0.98 -0.08 3.14 0.00 -1.21 -3.25 119.26 121.45 1i5c h ALA 474 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1i5c h ALA 474 Cb 0.69 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1i5c h ALA 474 CO 0.00 0.60 0.02 0.00 0.00 0.00 0.00 179.25 179.87 1i5c h ALA 475 N 1.17 1.89 -0.02 0.00 0.00 -1.75 -2.89 119.26 117.66 1i5c h ALA 475 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1i5c h ALA 475 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1i5c h ALA 475 CO 0.05 0.09 -0.15 0.25 0.00 0.00 0.00 179.25 179.49 1i5c n THR 476 N -4.49 0.00 -1.71 0.00 -2.24 -1.23 -4.99 114.28 99.62 1i5c n THR 476 Ca -0.02 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 60.96 1i5c n THR 476 Cb 0.11 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.54 1i5c n THR 476 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1i5c n LEU 477 N 0.67 3.72 -4.90 3.22 4.77 -1.09 -5.00 117.00 118.39 1i5c n LEU 477 Ca 0.13 1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 57.01 1i5c n LEU 477 Cb 0.51 -1.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.17 1i5c n LEU 477 CO 0.20 -0.31 0.76 -0.94 -1.33 0.00 0.00 177.39 175.77 1i5c s SER 478 N -0.01 4.77 0.18 -1.43 1.04 -1.26 -4.89 113.70 112.10 1i5c s SER 478 Ca 0.60 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 1i5c s SER 478 Cb -0.57 -1.41 0.08 0.00 0.10 0.00 0.00 66.02 64.22 1i5c s SER 478 CO 0.57 -1.73 1.81 0.44 0.98 0.00 0.00 173.24 175.31 1i5c h ASP 479 N -0.90 0.69 -0.37 7.02 5.19 -2.00 -1.85 116.42 124.21 1i5c h ASP 479 Ca -0.46 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 55.82 1i5c h ASP 479 Cb 1.31 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 1i5c h ASP 479 CO 0.65 0.56 0.01 1.56 -3.12 0.00 0.00 179.24 178.90 1i5c h GLN 480 N 0.77 0.73 -0.51 3.56 1.08 -1.96 -1.14 115.11 117.65 1i5c h GLN 480 Ca 0.20 -0.18 -0.09 0.00 -1.45 0.00 0.00 58.65 57.13 1i5c h GLN 480 Cb -0.01 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1i5c h GLN 480 CO -0.04 0.73 -0.05 0.93 -0.95 0.00 0.00 178.83 179.46 1i5c h GLU 481 N 0.69 0.89 0.02 1.46 5.08 -1.86 -0.96 114.58 119.91 1i5c h GLU 481 Ca 0.14 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1i5c h GLU 481 Cb 0.41 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1i5c h GLU 481 CO 0.01 0.92 -0.01 0.82 -1.00 0.00 0.00 179.01 179.75 1i5c h ILE 482 N 0.81 1.13 -0.18 3.13 2.04 -0.80 -2.95 117.51 120.69 1i5c h ILE 482 Ca 0.14 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1i5c h ILE 482 Cb 0.55 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1i5c h ILE 482 CO 0.03 0.12 -0.03 -0.07 0.00 0.00 0.00 178.15 178.20 1i5c h LEU 483 N -0.23 0.24 -2.47 1.44 3.38 -1.13 -2.25 115.31 114.29 1i5c h LEU 483 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1i5c h LEU 483 Cb 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1i5c h LEU 483 CO 0.01 0.32 -0.02 0.78 0.09 0.00 0.00 178.44 179.62 1i5c h ASN 484 N 0.26 0.00 -0.15 -0.43 2.35 -0.99 -1.85 115.58 114.77 1i5c h ASN 484 Ca 0.06 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 1i5c h ASN 484 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1i5c h ASN 484 CO 0.01 0.02 0.12 -0.26 -1.65 0.00 0.00 177.43 175.67 1i5c h PHE 485 N 0.00 0.00 0.00 1.19 0.05 -1.40 -0.26 116.94 116.52 1i5c h PHE 485 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1i5c h PHE 485 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.00 1i5c h PHE 485 CO 0.00 0.00 0.00 -0.07 -0.18 0.00 0.00 178.31 178.06 1i5c h LEU 486 N 0.00 0.00 -0.54 1.54 4.07 -1.52 -2.28 115.31 116.59 1i5c h LEU 486 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1i5c h LEU 486 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1i5c h LEU 486 CO -0.00 0.00 -0.42 0.49 -1.08 0.00 0.00 178.44 177.43 1i5c n PHE 487 N -2.46 0.00 -2.44 1.13 0.99 -0.11 -2.47 117.46 112.10 1i5c n PHE 487 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1i5c n PHE 487 Cb 0.15 -0.09 -0.03 0.00 -1.00 0.00 0.00 39.48 38.51 1i5c n PHE 487 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1i5c s VAL 488 N -2.60 4.20 0.20 -4.37 1.01 -0.86 -4.71 120.40 113.27 1i5c s VAL 488 Ca 0.20 1.54 -0.32 0.00 0.00 0.00 0.00 61.98 63.39 1i5c s VAL 488 Cb 0.18 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 1i5c s VAL 488 CO 0.59 0.01 1.45 -0.81 0.00 0.00 0.00 175.10 176.34 1i5c n PRO 489 N 5.05 1.98 -0.25 2.72 -0.04 -1.26 -1.59 135.00 141.60 1i5c n PRO 489 Ca 0.11 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 1i5c n PRO 489 Cb 0.46 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1i5c n PRO 489 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1i5c n GLY 490 N 2.58 1.08 0.23 0.55 0.00 -1.26 -4.93 105.19 103.44 1i5c n GLY 490 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1i5c n GLY 490 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i5c h PHE 491 N 0.00 0.71 -4.11 1.61 3.57 -1.62 -3.45 116.94 113.65 1i5c h PHE 491 Ca 0.00 -0.20 -0.48 0.00 3.53 0.00 0.00 57.97 60.82 1i5c h PHE 491 Cb 0.00 -0.16 0.14 0.00 2.79 0.00 0.00 35.95 38.72 1i5c h PHE 491 CO 0.00 0.89 0.26 -1.54 -2.23 0.00 0.00 178.31 175.69 1i5c s SER 492 N -6.84 3.59 -0.02 0.41 1.04 -1.26 -4.93 113.70 105.69 1i5c s SER 492 Ca -0.08 1.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.45 1i5c s SER 492 Cb 0.12 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 1i5c s SER 492 CO 0.83 -2.55 1.48 -0.89 0.98 0.00 0.00 173.24 173.08 1i5c s THR 493 N -3.00 3.64 -0.26 2.02 2.01 -1.26 -4.87 115.64 113.93 1i5c s THR 493 Ca 0.63 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1i5c s THR 493 Cb -0.17 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.72 1i5c s THR 493 CO 0.56 -0.03 0.00 2.29 -0.69 0.00 0.00 174.62 176.75 1i5c n LYS 494 N 5.91 0.00 0.00 4.92 0.00 -1.26 -4.91 118.16 122.82 1i5c n LYS 494 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1i5c n LYS 494 Cb 0.43 -0.81 0.00 0.00 -0.00 0.00 0.00 35.03 34.65 1i5c n LYS 494 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1i5c n GLU 495 N -0.01 0.00 0.00 -1.58 4.71 -1.26 -5.07 120.64 117.43 1i5c n GLU 495 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1i5c n GLU 495 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 1i5c n GLU 495 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11 1i5c n ARG 503 N -0.08 0.00 -1.28 3.49 0.00 -1.26 -5.12 116.66 112.41 1i5c n ARG 503 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 1i5c n ARG 503 Cb 0.00 -0.29 0.10 0.00 -0.00 0.00 0.00 32.46 32.26 1i5c n ARG 503 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1i5c s GLY 504 N 0.00 1.89 0.00 2.89 0.00 -1.26 -5.05 107.32 105.79 1i5c s GLY 504 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.22 1i5c s GLY 504 CO 0.00 0.87 0.00 3.33 0.00 0.00 0.00 173.10 177.30 1i5c n VAL 505 N -3.29 0.00 0.00 1.40 0.24 -1.26 -4.90 118.33 110.52 1i5c n VAL 505 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1i5c n VAL 505 Cb 0.52 -1.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.47 1i5c n VAL 505 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i5c n GLY 506 N 5.00 3.93 0.31 7.63 0.00 -1.26 -4.71 105.19 116.08 1i5c n GLY 506 Ca 0.00 -1.59 0.07 0.00 0.00 0.00 0.00 46.02 44.50 1i5c n GLY 506 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1i5c h MET 507 N 0.00 0.38 -0.65 1.61 -1.53 -1.99 -0.99 114.93 111.76 1i5c h MET 507 Ca 0.00 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.19 1i5c h MET 507 Cb 0.00 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 30.93 1i5c h MET 507 CO 0.00 0.25 0.23 0.38 0.14 0.00 0.00 176.91 177.92 1i5c h ASP 508 N 0.39 0.89 -0.19 1.39 -0.00 -1.76 -0.89 116.42 116.25 1i5c h ASP 508 Ca 0.14 -0.14 -0.19 0.00 -0.00 0.00 0.00 57.03 56.84 1i5c h ASP 508 Cb 0.08 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.18 1i5c h ASP 508 CO -0.03 0.82 -0.60 0.58 -0.00 0.00 0.00 179.24 180.00 1i5c h VAL 509 N 0.95 1.28 -0.36 4.15 2.07 -1.52 -2.09 116.25 120.74 1i5c h VAL 509 Ca 0.22 -1.81 0.05 0.00 0.82 0.00 0.00 66.70 65.98 1i5c h VAL 509 Cb 0.22 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1i5c h VAL 509 CO -0.01 0.58 0.10 0.58 0.02 0.00 0.00 177.57 178.83 1i5c h VAL 510 N 0.60 0.86 -0.45 2.57 2.07 -0.75 0.03 116.25 121.18 1i5c h VAL 510 Ca -0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1i5c h VAL 510 Cb 1.21 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1i5c h VAL 510 CO 0.13 0.04 0.18 0.50 0.02 0.00 0.00 177.57 178.44 1i5c h LYS 511 N 0.23 0.67 -0.68 1.57 3.11 -1.11 -0.88 116.57 119.49 1i5c h LYS 511 Ca 0.17 -0.12 0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1i5c h LYS 511 Cb 0.17 -0.11 -0.04 0.00 -1.00 0.00 0.00 32.23 31.25 1i5c h LYS 511 CO -0.19 0.61 0.42 -0.97 -2.81 0.00 0.00 179.45 176.51 1i5c h ASN 512 N 0.58 0.69 -0.54 4.20 -1.24 -0.89 0.15 115.58 118.53 1i5c h ASN 512 Ca 0.15 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.10 1i5c h ASN 512 Cb 0.19 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1i5c h ASN 512 CO -0.01 0.48 0.12 0.58 -1.29 0.00 0.00 177.43 177.30 1i5c h VAL 513 N 0.82 1.25 -0.75 2.57 2.07 -0.70 -0.64 116.25 120.87 1i5c h VAL 513 Ca 0.27 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1i5c h VAL 513 Cb 0.03 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1i5c h VAL 513 CO -0.11 0.33 0.29 0.58 0.02 0.00 0.00 177.57 178.68 1i5c h VAL 514 N 0.77 1.25 -0.07 2.57 2.07 -0.69 -1.86 116.25 120.30 1i5c h VAL 514 Ca 0.17 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1i5c h VAL 514 Cb 0.36 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1i5c h VAL 514 CO 0.00 0.33 -0.37 -0.33 0.02 0.00 0.00 177.57 177.22 1i5c h GLU 515 N 1.08 0.14 0.00 1.57 4.39 -0.77 -0.43 114.58 120.56 1i5c h GLU 515 Ca 0.25 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1i5c h GLU 515 Cb 0.22 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1i5c h GLU 515 CO -0.02 0.50 -0.01 0.66 -1.16 0.00 0.00 179.01 178.97 1i5c h SER 516 N 0.12 0.00 -0.61 1.42 4.64 -0.31 -1.14 113.55 117.68 1i5c h SER 516 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1i5c h SER 516 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1i5c h SER 516 CO 0.05 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 176.21 1i5c n LEU 517 N -3.12 3.36 -2.04 5.97 4.77 -0.86 -4.91 117.00 120.17 1i5c n LEU 517 Ca -0.00 -1.68 -0.16 0.00 -0.03 0.00 0.00 56.01 54.13 1i5c n LEU 517 Cb 0.26 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1i5c n LEU 517 CO 0.26 0.80 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.83 1i5c n ASN 518 N 1.25 -4.81 -2.52 -1.43 4.05 -0.43 -4.56 115.26 106.81 1i5c n ASN 518 Ca 0.21 -0.12 -0.05 0.00 0.45 0.00 0.00 54.58 55.06 1i5c n ASN 518 Cb 0.54 -3.79 -0.00 0.00 1.23 0.00 0.00 39.78 37.76 1i5c n ASN 518 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1i5c n GLY 519 N -1.18 3.40 3.10 8.20 0.00 -0.23 -4.45 105.19 114.04 1i5c n GLY 519 Ca -0.13 -2.21 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 1i5c n GLY 519 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i5c s SER 520 N -1.58 0.92 -0.00 1.61 0.15 -0.27 -4.22 113.70 110.31 1i5c s SER 520 Ca 0.04 -0.73 0.01 0.00 0.70 0.00 0.00 55.95 55.96 1i5c s SER 520 Cb -0.00 0.07 -0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1i5c s SER 520 CO 0.02 -0.32 -0.03 -0.51 1.20 0.00 0.00 173.24 173.61 1i5c s ILE 521 N -2.29 0.24 0.06 6.45 2.07 -1.26 -0.81 121.20 125.65 1i5c s ILE 521 Ca -0.02 -0.12 0.02 0.00 -1.41 0.00 0.00 60.65 59.12 1i5c s ILE 521 Cb -0.04 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.31 1i5c s ILE 521 CO -0.02 0.07 -0.08 -0.94 -1.91 0.00 0.00 174.94 172.07 1i5c s SER 522 N -0.03 0.96 0.04 4.50 1.04 -0.35 -5.00 113.70 114.85 1i5c s SER 522 Ca 0.01 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.83 1i5c s SER 522 Cb -0.02 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 1i5c s SER 522 CO -0.00 -0.27 -0.18 -0.63 0.98 0.00 0.00 173.24 173.14 1i5c s ILE 523 N -1.98 1.44 0.00 -1.02 1.01 -1.26 -1.12 121.20 118.27 1i5c s ILE 523 Ca -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 60.65 59.50 1i5c s ILE 523 Cb -0.06 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1i5c s ILE 523 CO -0.01 0.12 -0.05 -0.70 0.00 0.00 0.00 174.94 174.30 1i5c s GLU 524 N -1.17 0.37 -0.23 2.79 2.12 -0.23 -5.02 118.70 117.32 1i5c s GLU 524 Ca 0.05 -0.24 -0.27 0.00 0.36 0.00 0.00 54.97 54.88 1i5c s GLU 524 Cb -0.08 -0.32 0.10 0.00 0.26 0.00 0.00 34.13 34.09 1i5c s GLU 524 CO 0.02 0.08 0.91 0.45 -0.54 0.00 0.00 175.26 176.17 1i5c s SER 525 N -0.32 -0.54 -0.05 -1.70 0.15 -1.26 -0.83 113.70 109.15 1i5c s SER 525 Ca -0.00 0.92 0.01 0.00 0.70 0.00 0.00 55.95 57.58 1i5c s SER 525 Cb -0.03 0.89 0.02 0.00 -1.71 0.00 0.00 66.02 65.19 1i5c s SER 525 CO -0.00 -0.26 -0.06 -0.70 1.20 0.00 0.00 173.24 173.42 1i5c s GLU 526 N -0.13 0.97 0.10 5.44 2.12 -1.01 -4.94 118.70 121.26 1i5c s GLU 526 Ca -0.00 -0.15 -0.36 0.00 0.36 0.00 0.00 54.97 54.82 1i5c s GLU 526 Cb -0.04 -0.96 -0.16 0.00 0.26 0.00 0.00 34.13 33.23 1i5c s GLU 526 CO -0.01 -0.08 1.31 1.17 -0.54 0.00 0.00 175.26 177.10 1i5c n LYS 527 N 4.10 1.16 -0.42 4.30 4.81 -1.26 -0.58 118.16 130.26 1i5c n LYS 527 Ca -0.23 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1i5c n LYS 527 Cb 0.51 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.52 1i5c n LYS 527 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i5c n ASP 528 N 2.43 0.00 -0.13 3.14 8.00 0.20 -4.74 116.55 125.46 1i5c n ASP 528 Ca 0.18 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.41 1i5c n ASP 528 Cb 0.20 -1.70 -0.11 0.00 -0.02 0.00 0.00 41.12 39.50 1i5c n ASP 528 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1i5c n LYS 529 N -2.00 0.60 -2.67 -1.24 4.01 0.25 -4.70 118.16 112.41 1i5c n LYS 529 Ca 0.00 0.30 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1i5c n LYS 529 Cb 0.00 -1.55 0.00 0.00 -0.51 0.00 0.00 35.03 32.97 1i5c n LYS 529 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1i5c n GLY 530 N 1.44 -0.44 3.04 0.72 0.00 -0.89 -3.82 105.19 105.24 1i5c n GLY 530 Ca -0.49 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 1i5c n GLY 530 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i5c s THR 531 N -2.75 -0.01 -0.09 2.61 2.01 -0.80 -2.42 115.64 114.19 1i5c s THR 531 Ca 0.00 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.03 1i5c s THR 531 Cb 0.00 -0.27 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1i5c s THR 531 CO 0.00 0.02 -0.02 -0.75 -0.69 0.00 0.00 174.62 173.18 1i5c s LYS 532 N 0.36 0.88 -0.16 4.92 2.20 -0.01 -1.12 119.74 126.81 1i5c s LYS 532 Ca -0.02 -0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.52 1i5c s LYS 532 Cb -0.04 -1.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.02 1i5c s LYS 532 CO -0.02 -0.32 -0.04 0.08 -0.36 0.00 0.00 175.35 174.69 1i5c s VAL 533 N 1.89 3.81 -0.09 4.02 1.01 -0.36 -1.07 120.40 129.61 1i5c s VAL 533 Ca 0.05 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.68 1i5c s VAL 533 Cb -0.13 -2.67 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 1i5c s VAL 533 CO -0.06 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.40 1i5c s THR 534 N 0.39 2.01 -0.11 3.92 2.01 -0.28 -1.17 115.64 122.42 1i5c s THR 534 Ca -0.04 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1i5c s THR 534 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 72.50 70.64 1i5c s THR 534 CO 0.03 0.55 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.65 1i5c s ILE 535 N 0.24 2.10 -0.23 1.82 1.01 0.13 -1.21 121.20 125.06 1i5c s ILE 535 Ca -0.15 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.49 1i5c s ILE 535 Cb -0.17 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1i5c s ILE 535 CO 0.08 0.56 -0.10 -0.13 0.00 0.00 0.00 174.94 175.34 1i5c s ARG 536 N 0.47 2.86 -0.06 2.79 0.52 0.01 -0.31 118.95 125.23 1i5c s ARG 536 Ca -0.15 -0.94 0.02 0.00 -0.52 0.00 0.00 55.73 54.13 1i5c s ARG 536 Cb -0.17 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.41 1i5c s ARG 536 CO 0.06 -0.34 -0.10 -0.51 0.02 0.00 0.00 175.30 174.42 1i5c s LEU 537 N 1.30 2.97 0.28 2.53 1.43 -0.46 -1.11 118.68 125.63 1i5c s LEU 537 Ca 0.01 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1i5c s LEU 537 Cb -0.16 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.34 1i5c s LEU 537 CO -0.07 0.35 1.07 -2.16 0.23 0.00 0.00 176.35 175.78 1i5c s PRO 538 N -0.77 4.63 0.15 1.29 0.04 -1.26 -1.07 135.00 138.02 1i5c s PRO 538 Ca 0.12 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1i5c s PRO 538 Cb -0.11 -3.15 -0.07 0.00 0.04 0.00 0.00 34.50 31.21 1i5c s PRO 538 CO 0.01 0.23 1.35 -0.07 0.04 0.00 0.00 177.00 178.56 1i5c h LEU 539 N 3.76 0.05 0.00 -3.56 3.38 -1.80 -3.46 115.31 113.67 1i5c h LEU 539 Ca -0.47 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1i5c h LEU 539 Cb 1.21 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1i5c h LEU 539 CO 0.67 0.94 0.00 0.35 0.09 0.00 0.00 178.44 180.49