#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i5c s MET 355 N 0.00 2.43 0.06 -0.41 1.00 -1.26 -0.51 119.30 120.60 1i5c s MET 355 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 55.69 54.91 1i5c s MET 355 Cb 0.00 -2.41 -0.03 0.00 0.00 0.00 0.00 34.83 32.38 1i5c s MET 355 CO 0.00 0.59 -0.06 0.14 0.00 0.00 0.00 175.02 175.69 1i5c s VAL 356 N -0.96 0.47 0.38 -6.03 -7.23 -0.72 -4.89 120.40 101.42 1i5c s VAL 356 Ca 0.16 -1.57 -0.26 0.00 -1.81 0.00 0.00 61.98 58.50 1i5c s VAL 356 Cb -0.11 -1.20 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 1i5c s VAL 356 CO 0.06 -0.74 1.19 -2.16 -0.31 0.00 0.00 175.10 173.15 1i5c s PRO 357 N -3.00 4.15 0.00 4.82 0.04 -1.26 -1.50 135.00 138.24 1i5c s PRO 357 Ca 0.02 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.04 1i5c s PRO 357 Cb 0.00 -2.79 0.32 0.00 0.04 0.00 0.00 34.50 32.07 1i5c s PRO 357 CO -0.04 -0.26 1.11 1.51 0.04 0.00 0.00 177.00 179.36 1i5c n ILE 358 N 0.29 1.11 0.30 0.56 3.06 0.22 -1.66 119.36 123.23 1i5c n ILE 358 Ca 0.03 0.28 0.19 0.00 -2.50 0.00 0.00 62.75 60.74 1i5c n ILE 358 Cb 0.45 -1.17 0.93 0.00 0.54 0.00 0.00 39.64 40.40 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 -0.51 9.51 4.64 -1.56 0.18 113.55 125.82 1i5c h SER 359 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1i5c h SER 359 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1i5c h SER 359 CO 0.00 0.00 0.34 -0.26 -0.87 0.00 0.00 176.83 176.04 1i5c h PHE 360 N 0.00 0.53 0.06 4.77 0.05 -1.62 -1.76 116.94 118.98 1i5c h PHE 360 Ca 0.00 0.01 -0.37 0.00 3.82 0.00 0.00 57.97 61.43 1i5c h PHE 360 Cb 0.13 -0.18 -0.04 0.00 2.00 0.00 0.00 35.95 37.86 1i5c h PHE 360 CO 0.00 0.31 -2.20 0.28 -0.18 0.00 0.00 178.31 176.51 1i5c n VAL 361 N -4.47 1.64 0.03 -0.55 0.31 0.50 -4.62 118.33 111.17 1i5c n VAL 361 Ca 0.06 -0.63 -0.08 0.00 -0.01 0.00 0.00 64.34 63.68 1i5c n VAL 361 Cb 0.17 -1.53 0.08 0.00 -0.91 0.00 0.00 33.84 31.65 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 0.04 0.55 -1.14 3.52 -1.00 -1.00 -3.38 116.94 114.53 1i5c h PHE 362 Ca -0.49 -0.20 0.32 0.00 2.81 0.00 0.00 57.97 60.42 1i5c h PHE 362 Cb 1.99 -0.10 -0.10 0.00 3.61 0.00 0.00 35.95 41.35 1i5c h PHE 362 CO 0.05 0.90 0.75 -0.91 -1.61 0.00 0.00 178.31 177.49 1i5c h ASN 363 N 0.33 0.33 0.85 2.17 4.21 -1.58 -0.74 115.58 121.16 1i5c h ASN 363 Ca 0.00 0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.60 1i5c h ASN 363 Cb 1.09 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1i5c h ASN 363 CO 0.10 0.00 -0.29 -2.11 -1.29 0.00 0.00 177.43 173.84 1i5c n ARG 364 N -4.59 0.08 -0.20 0.81 1.85 -1.26 -4.32 116.66 109.04 1i5c n ARG 364 Ca 0.29 0.04 -0.10 0.00 -1.00 0.00 0.00 57.85 57.08 1i5c n ARG 364 Cb 1.08 -1.57 0.02 0.00 -1.05 0.00 0.00 32.46 30.94 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 1.17 -0.44 2.89 0.05 -1.37 -2.93 116.94 116.32 1i5c h PHE 365 Ca 0.00 -0.22 0.04 0.00 3.82 0.00 0.00 57.97 61.61 1i5c h PHE 365 Cb 0.57 -0.30 -0.04 0.00 2.00 0.00 0.00 35.95 38.19 1i5c h PHE 365 CO 0.00 1.05 0.22 -1.35 -0.18 0.00 0.00 178.31 178.05 1i5c h PRO 366 N 0.95 0.43 -0.48 1.51 0.11 -1.75 0.14 132.00 132.91 1i5c h PRO 366 Ca 0.16 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.17 1i5c h PRO 366 Cb 0.61 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1i5c h PRO 366 CO 0.04 0.28 0.01 0.07 -0.21 0.00 0.00 178.00 178.19 1i5c h ARG 367 N 0.44 0.84 -0.11 1.05 0.11 -1.85 -2.27 114.38 112.60 1i5c h ARG 367 Ca 0.19 -0.26 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 1i5c h ARG 367 Cb 0.09 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 1i5c h ARG 367 CO -0.13 0.88 -0.22 0.52 0.10 0.00 0.00 179.97 181.12 1i5c h MET 368 N 0.70 0.18 -0.11 0.08 2.86 -1.28 -1.33 114.93 116.03 1i5c h MET 368 Ca 0.14 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1i5c h MET 368 Cb 0.50 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1i5c h MET 368 CO 0.02 0.40 -0.35 0.28 1.06 0.00 0.00 176.91 178.33 1i5c h VAL 369 N 0.17 1.38 -0.47 -2.22 2.07 -0.54 -1.83 116.25 114.82 1i5c h VAL 369 Ca 0.03 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.92 1i5c h VAL 369 Cb 0.49 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1i5c h VAL 369 CO 0.03 0.49 0.26 -0.09 0.02 0.00 0.00 177.57 178.28 1i5c h ARG 370 N 0.02 0.50 -0.62 1.57 2.43 -1.22 -0.31 114.38 116.74 1i5c h ARG 370 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1i5c h ARG 370 Cb 0.97 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 1i5c h ARG 370 CO 0.07 0.33 0.41 -0.44 -1.51 0.00 0.00 179.97 178.83 1i5c h ASP 371 N 0.51 0.72 -0.02 -3.80 5.19 -1.24 -1.69 116.42 116.09 1i5c h ASP 371 Ca 0.19 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1i5c h ASP 371 Cb 0.06 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.39 1i5c h ASP 371 CO -0.11 0.53 0.01 -0.07 -3.12 0.00 0.00 179.24 176.47 1i5c h LEU 372 N 0.84 0.03 -0.80 1.55 4.07 -0.79 -1.89 115.31 118.32 1i5c h LEU 372 Ca 0.23 -0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.08 1i5c h LEU 372 Cb -0.09 -0.01 -0.05 0.00 1.08 0.00 0.00 40.66 41.60 1i5c h LEU 372 CO -0.05 0.16 0.51 0.00 -1.08 0.00 0.00 178.44 177.98 1i5c h ALA 373 N 0.87 1.05 -0.17 1.53 0.00 -0.92 -0.73 119.26 120.89 1i5c h ALA 373 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1i5c h ALA 373 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1i5c h ALA 373 CO -0.00 0.32 0.07 -0.22 0.00 0.00 0.00 179.25 179.42 1i5c h LYS 374 N 0.99 0.25 -0.14 0.00 3.64 -1.19 -0.04 116.57 120.07 1i5c h LYS 374 Ca 0.32 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 1i5c h LYS 374 Cb 0.02 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1i5c h LYS 374 CO -0.12 0.31 -0.14 -0.22 -2.27 0.00 0.00 179.45 177.01 1i5c h LYS 375 N 0.13 0.23 -0.38 1.90 1.63 -0.98 -2.58 116.57 116.51 1i5c h LYS 375 Ca 0.06 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1i5c h LYS 375 Cb 0.15 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1i5c h LYS 375 CO -0.01 0.38 0.00 -1.33 -3.45 0.00 0.00 179.45 175.04 1i5c n MET 376 N -4.27 2.22 -3.62 1.90 2.81 -0.31 -4.97 117.12 110.88 1i5c n MET 376 Ca -0.01 -1.86 -0.20 0.00 -1.81 0.00 0.00 57.70 53.82 1i5c n MET 376 Cb 0.27 -1.45 0.05 0.00 -0.71 0.00 0.00 33.22 31.38 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 1.05 -1.72 -4.27 7.83 4.05 -0.20 -5.01 115.26 116.99 1i5c n ASN 377 Ca 0.18 -0.75 -0.27 0.00 0.45 0.00 0.00 54.58 54.19 1i5c n ASN 377 Cb 0.48 -4.40 -0.15 0.00 1.23 0.00 0.00 39.78 36.94 1i5c n ASN 377 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1i5c s LYS 378 N -5.83 1.59 -0.38 1.20 -0.14 -0.20 -4.74 119.74 111.25 1i5c s LYS 378 Ca 0.05 -0.92 -0.17 0.00 -1.36 0.00 0.00 55.97 53.56 1i5c s LYS 378 Cb -0.02 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.47 1i5c s LYS 378 CO 0.79 0.44 0.44 -1.21 -0.76 0.00 0.00 175.35 175.05 1i5c s GLU 379 N -0.97 3.39 -0.06 1.68 2.02 -1.26 -4.46 118.70 119.03 1i5c s GLU 379 Ca 0.09 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.62 1i5c s GLU 379 Cb -0.09 -3.88 0.01 0.00 0.10 0.00 0.00 34.13 30.28 1i5c s GLU 379 CO 0.01 -0.71 -0.10 0.08 0.02 0.00 0.00 175.26 174.56 1i5c s VAL 380 N 2.21 0.99 -0.43 2.63 1.01 -1.26 -0.13 120.40 125.41 1i5c s VAL 380 Ca 0.14 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1i5c s VAL 380 Cb -0.16 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.36 1i5c s VAL 380 CO 0.13 0.32 0.29 0.21 0.00 0.00 0.00 175.10 176.06 1i5c s ASN 381 N 0.70 5.86 -0.26 3.32 2.47 0.61 -4.94 114.94 122.71 1i5c s ASN 381 Ca -0.14 -1.29 -0.17 0.00 0.42 0.00 0.00 52.86 51.68 1i5c s ASN 381 Cb -0.15 -2.07 -0.03 0.00 -1.45 0.00 0.00 41.25 37.55 1i5c s ASN 381 CO 0.03 -0.53 0.48 0.12 -3.72 0.00 0.00 177.10 173.48 1i5c s PHE 382 N 1.54 3.27 -0.26 0.43 5.36 -1.26 -1.80 117.98 125.26 1i5c s PHE 382 Ca 0.03 0.60 -0.03 0.00 -0.96 0.00 0.00 56.93 56.57 1i5c s PHE 382 Cb -0.22 -2.68 0.02 0.00 -0.34 0.00 0.00 43.02 39.80 1i5c s PHE 382 CO 0.05 -0.25 -0.03 0.42 -1.46 0.00 0.00 175.22 173.96 1i5c s ILE 383 N 2.18 3.17 -0.16 3.12 1.01 0.47 -5.00 121.20 126.00 1i5c s ILE 383 Ca 0.20 -0.90 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 1i5c s ILE 383 Cb -0.16 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1i5c s ILE 383 CO 0.09 0.19 0.00 -0.04 0.00 0.00 0.00 174.94 175.19 1i5c s MET 384 N 1.38 3.70 0.03 2.79 -1.94 -1.26 -0.52 119.30 123.48 1i5c s MET 384 Ca 0.01 -0.44 0.03 0.00 -1.71 0.00 0.00 55.69 53.59 1i5c s MET 384 Cb -0.17 -3.01 -0.02 0.00 2.01 0.00 0.00 34.83 33.65 1i5c s MET 384 CO -0.03 0.32 -0.10 1.03 -0.01 0.00 0.00 175.02 176.23 1i5c s ARG 385 N 0.19 0.69 -0.51 2.03 0.52 -0.22 -4.88 118.95 116.78 1i5c s ARG 385 Ca 0.01 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 1i5c s ARG 385 Cb -0.13 -0.62 0.00 0.00 0.52 0.00 0.00 34.95 34.72 1i5c s ARG 385 CO 0.02 0.15 0.08 0.41 0.02 0.00 0.00 175.30 175.97 1i5c n GLY 386 N 1.91 0.20 0.16 -3.53 0.00 -1.26 -1.71 105.19 100.96 1i5c n GLY 386 Ca -0.19 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.37 1i5c n GLY 386 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i5c n GLU 387 N -1.66 0.16 0.00 1.61 0.00 -1.26 -1.39 120.64 118.09 1i5c n GLU 387 Ca -0.06 0.60 0.13 0.00 0.00 0.00 0.00 57.16 57.83 1i5c n GLU 387 Cb 0.55 -1.96 0.32 0.00 0.00 0.00 0.00 31.44 30.35 1i5c n GLU 387 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1i5c n ASP 388 N -2.28 1.07 -4.71 -1.84 10.43 -1.26 -1.59 116.55 116.37 1i5c n ASP 388 Ca -0.01 -0.89 -0.43 0.00 2.57 0.00 0.00 54.79 56.03 1i5c n ASP 388 Cb 0.07 0.19 -0.03 0.00 1.84 0.00 0.00 41.12 43.19 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 -0.69 0.36 -3.35 -3.53 -1.04 -0.49 -4.58 114.28 100.97 1i5c n THR 389 Ca 0.11 -0.09 -0.33 0.00 -2.04 0.00 0.00 64.05 61.70 1i5c n THR 389 Cb 0.36 -1.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.02 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 0.51 3.87 0.12 -2.82 2.02 -1.26 0.71 118.70 121.85 1i5c s GLU 390 Ca 0.73 0.39 -0.12 0.00 0.02 0.00 0.00 54.97 55.99 1i5c s GLU 390 Cb -0.57 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.02 1i5c s GLU 390 CO 0.40 0.31 0.30 -0.48 0.02 0.00 0.00 175.26 175.81 1i5c s LEU 391 N -2.70 0.93 0.28 1.80 2.34 -0.56 -4.89 118.68 115.86 1i5c s LEU 391 Ca 0.47 -0.57 -0.30 0.00 0.06 0.00 0.00 54.13 53.79 1i5c s LEU 391 Cb -0.12 1.40 -0.12 0.00 -0.56 0.00 0.00 46.19 46.79 1i5c s LEU 391 CO 0.20 -0.82 1.57 -0.67 -1.06 0.00 0.00 176.35 175.58 1i5c n ASP 392 N -0.16 3.67 0.21 1.48 2.03 -1.26 -1.75 116.55 120.77 1i5c n ASP 392 Ca -0.14 1.14 0.15 0.00 0.52 0.00 0.00 54.79 56.46 1i5c n ASP 392 Cb 0.63 -1.56 0.77 0.00 -0.72 0.00 0.00 41.12 40.24 1i5c n ASP 392 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1i5c h ARG 393 N 4.86 0.00 0.00 -0.67 2.43 -1.15 -0.58 114.38 119.27 1i5c h ARG 393 Ca -0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1i5c h ARG 393 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1i5c h ARG 393 CO 0.80 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.51 1i5c n THR 394 N -4.12 0.90 -0.02 0.20 -2.24 -1.26 -2.72 114.28 105.02 1i5c n THR 394 Ca 0.01 0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.97 1i5c n THR 394 Cb 0.25 -0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 67.38 1i5c n THR 394 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i5c n PHE 395 N -1.45 0.64 -0.10 4.78 0.99 -0.23 -4.61 117.46 117.47 1i5c n PHE 395 Ca 0.04 0.22 -0.09 0.00 -0.00 0.00 0.00 57.45 57.62 1i5c n PHE 395 Cb 0.16 -1.03 -0.03 0.00 -1.00 0.00 0.00 39.48 37.57 1i5c n PHE 395 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1i5c h VAL 396 N 0.00 0.19 0.00 -4.37 2.07 -1.60 -1.27 116.25 111.27 1i5c h VAL 396 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1i5c h VAL 396 Cb 1.81 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1i5c h VAL 396 CO 0.05 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.85 1i5c n GLU 397 N -5.42 0.09 -0.10 1.57 0.00 -1.26 -3.45 120.64 112.07 1i5c n GLU 397 Ca -0.00 0.16 -0.12 0.00 0.00 0.00 0.00 57.16 57.20 1i5c n GLU 397 Cb 0.34 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.15 1i5c n GLU 397 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1i5c n GLU 398 N -1.43 0.79 0.07 5.31 -0.58 -0.78 -4.59 120.64 119.43 1i5c n GLU 398 Ca 0.06 0.05 0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1i5c n GLU 398 Cb 0.19 -1.49 0.23 0.00 -0.57 0.00 0.00 31.44 29.81 1i5c n GLU 398 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1i5c n ILE 399 N -2.89 0.41 0.27 -3.67 0.13 -0.55 -4.42 119.36 108.64 1i5c n ILE 399 Ca -0.35 -0.27 -0.16 0.00 -1.10 0.00 0.00 62.75 60.86 1i5c n ILE 399 Cb 1.06 -0.24 -0.09 0.00 -0.84 0.00 0.00 39.64 39.53 1i5c n ILE 399 CO 0.00 0.00 0.00 1.23 2.80 0.00 0.00 176.55 180.58 1i5c h GLY 400 N 4.52 -1.21 0.97 4.50 0.00 -1.81 -2.29 103.07 107.75 1i5c h GLY 400 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.91 1i5c h GLY 400 CO 0.00 -0.36 0.64 0.83 0.00 0.00 0.00 176.54 177.65 1i5c h GLU 401 N -0.91 1.25 -0.35 4.80 4.39 -1.89 -1.97 114.58 119.91 1i5c h GLU 401 Ca -0.06 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1i5c h GLU 401 Cb 0.79 -0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1i5c h GLU 401 CO -0.06 0.83 0.18 -1.35 -1.16 0.00 0.00 179.01 177.45 1i5c h PRO 402 N 1.29 0.50 -0.48 2.33 0.11 -1.75 -1.68 132.00 132.32 1i5c h PRO 402 Ca 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1i5c h PRO 402 Cb -0.11 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1i5c h PRO 402 CO -0.09 0.44 0.26 -0.07 -0.21 0.00 0.00 178.00 178.33 1i5c h LEU 403 N 0.44 0.60 -1.34 2.35 3.38 -1.19 -1.88 115.31 117.66 1i5c h LEU 403 Ca 0.12 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1i5c h LEU 403 Cb 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1i5c h LEU 403 CO -0.02 0.52 0.47 0.25 0.09 0.00 0.00 178.44 179.75 1i5c h LEU 404 N 0.63 0.72 -0.76 1.67 5.85 -1.21 -0.58 115.31 121.64 1i5c h LEU 404 Ca 0.17 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1i5c h LEU 404 Cb 0.05 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1i5c h LEU 404 CO -0.03 0.49 0.10 -0.74 -0.34 0.00 0.00 178.44 177.93 1i5c h HIS 405 N 0.84 1.11 -0.50 1.25 2.76 -0.55 0.64 115.15 120.70 1i5c h HIS 405 Ca 0.29 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1i5c h HIS 405 Cb 0.12 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.75 1i5c h HIS 405 CO -0.00 0.93 -0.11 -0.07 -1.30 0.00 0.00 177.93 177.38 1i5c h LEU 406 N 0.98 0.91 -0.69 0.26 3.38 -0.49 0.12 115.31 119.78 1i5c h LEU 406 Ca 0.20 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1i5c h LEU 406 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1i5c h LEU 406 CO 0.01 1.03 -0.12 -0.07 0.09 0.00 0.00 178.44 179.38 1i5c h LEU 407 N 0.82 0.89 -0.34 1.67 3.38 -0.81 -1.77 115.31 119.16 1i5c h LEU 407 Ca 0.13 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1i5c h LEU 407 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1i5c h LEU 407 CO 0.04 1.02 0.10 -0.09 0.09 0.00 0.00 178.44 179.60 1i5c h ARG 408 N 0.80 0.53 -0.44 1.13 2.43 -0.45 -2.11 114.38 116.27 1i5c h ARG 408 Ca 0.13 -0.12 0.06 0.00 -0.81 0.00 0.00 59.98 59.24 1i5c h ARG 408 Cb 0.64 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.07 1i5c h ARG 408 CO 0.04 0.56 0.15 -0.91 -1.51 0.00 0.00 179.97 178.31 1i5c h ASN 409 N 0.39 0.16 -0.80 -3.80 2.35 -0.56 0.15 115.58 113.47 1i5c h ASN 409 Ca 0.11 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1i5c h ASN 409 Cb 0.26 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1i5c h ASN 409 CO -0.00 0.12 0.52 0.00 -1.65 0.00 0.00 177.43 176.42 1i5c h ALA 410 N 1.29 1.05 -0.16 -0.83 0.00 -1.10 0.25 119.26 119.76 1i5c h ALA 410 Ca 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1i5c h ALA 410 Cb 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1i5c h ALA 410 CO -0.21 0.34 -0.48 0.82 0.00 0.00 0.00 179.25 179.72 1i5c h ILE 411 N 1.01 1.33 0.07 0.00 2.04 -0.94 0.10 117.51 121.11 1i5c h ILE 411 Ca 0.32 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1i5c h ILE 411 Cb -0.00 1.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1i5c h ILE 411 CO -0.11 0.54 -0.03 -0.78 0.00 0.00 0.00 178.15 177.77 1i5c h ASP 412 N 0.28 -0.07 0.97 1.72 -0.00 -0.81 -3.38 116.42 115.13 1i5c h ASP 412 Ca -0.01 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.03 56.85 1i5c h ASP 412 Cb 1.10 0.02 -0.01 0.00 -0.00 0.00 0.00 39.33 40.44 1i5c h ASP 412 CO 0.10 0.47 -1.06 0.45 -0.00 0.00 0.00 179.24 179.21 1i5c h HIS 413 N -1.01 0.00 0.00 0.28 3.86 -0.71 -3.44 115.15 114.12 1i5c h HIS 413 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1i5c h HIS 413 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1i5c h HIS 413 CO 0.03 0.16 0.00 0.41 0.86 0.00 0.00 177.93 179.39 1i5c n GLY 414 N 1.23 1.02 3.68 2.45 0.00 -0.76 -4.65 105.19 108.17 1i5c n GLY 414 Ca -0.02 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.85 0.48 -2.09 -0.61 2.08 0.27 -1.40 119.36 117.24 1i5c n ILE 415 Ca 0.00 -0.09 -0.30 0.00 0.56 0.00 0.00 62.75 62.92 1i5c n ILE 415 Cb 0.00 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.03 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 3.46 3.61 0.78 0.38 8.01 -1.26 -4.80 118.70 128.88 1i5c s GLU 416 Ca 0.89 0.62 -0.12 0.00 0.01 0.00 0.00 54.97 56.38 1i5c s GLU 416 Cb -0.66 -2.16 0.07 0.00 -4.31 0.00 0.00 34.13 27.07 1i5c s GLU 416 CO 0.48 -0.46 1.13 -2.14 0.01 0.00 0.00 175.26 174.28 1i5c s PRO 417 N -5.00 1.99 0.08 0.39 0.02 -1.26 -4.69 135.00 126.52 1i5c s PRO 417 Ca 0.53 1.43 -0.15 0.00 0.02 0.00 0.00 61.00 62.84 1i5c s PRO 417 Cb -0.11 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 1i5c s PRO 417 CO 0.50 -1.88 1.13 1.63 -0.33 0.00 0.00 177.00 178.05 1i5c n LYS 418 N -3.35 -0.21 -0.34 5.54 5.02 -1.26 -1.56 118.16 121.99 1i5c n LYS 418 Ca 0.11 1.11 0.11 0.00 -2.02 0.00 0.00 58.31 57.63 1i5c n LYS 418 Cb 0.52 -1.65 0.29 0.00 -0.02 0.00 0.00 35.03 34.17 1i5c n LYS 418 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1i5c h GLU 419 N 0.00 0.72 -0.45 1.97 9.09 -1.98 -2.08 114.58 121.85 1i5c h GLU 419 Ca 0.08 -0.04 -0.12 0.00 0.05 0.00 0.00 59.36 59.32 1i5c h GLU 419 Cb 0.20 -0.16 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 1i5c h GLU 419 CO -0.45 0.48 -0.21 0.93 0.05 0.00 0.00 179.01 179.81 1i5c h GLU 420 N 0.75 0.92 -0.57 1.06 5.08 -1.63 -1.83 114.58 118.35 1i5c h GLU 420 Ca 0.55 -0.38 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1i5c h GLU 420 Cb 0.82 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1i5c h GLU 420 CO -0.37 1.04 0.01 0.00 -1.00 0.00 0.00 179.01 178.69 1i5c h ARG 421 N 0.80 0.99 -0.45 2.33 3.08 -0.98 -2.32 114.38 117.83 1i5c h ARG 421 Ca 0.11 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1i5c h ARG 421 Cb 0.77 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 1i5c h ARG 421 CO 0.06 0.98 0.27 0.82 -1.07 0.00 0.00 179.97 181.03 1i5c h ILE 422 N 0.88 1.15 -0.11 2.04 2.04 -1.37 0.37 117.51 122.51 1i5c h ILE 422 Ca 0.16 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1i5c h ILE 422 Cb 0.53 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1i5c h ILE 422 CO 0.03 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.40 1i5c h ALA 423 N 1.12 2.06 -0.10 1.87 0.00 -1.10 -0.44 119.26 122.68 1i5c h ALA 423 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i5c h ALA 423 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i5c h ALA 423 CO -0.03 -0.13 0.00 1.63 0.00 0.00 0.00 179.25 180.72 1i5c n LYS 424 N -4.45 1.77 -1.61 0.00 5.02 -0.67 -4.93 118.16 113.29 1i5c n LYS 424 Ca -0.00 -1.14 -0.04 0.00 -2.02 0.00 0.00 58.31 55.10 1i5c n LYS 424 Cb 0.19 -1.44 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 1.18 0.43 3.72 0.72 0.00 -0.17 -5.05 105.19 106.02 1i5c n GLY 425 Ca 0.17 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.29 2.64 0.37 1.61 1.02 0.03 -5.01 119.74 117.11 1i5c s LYS 426 Ca 0.00 -0.90 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 1i5c s LYS 426 Cb 0.00 -2.54 -0.10 0.00 -0.52 0.00 0.00 37.83 34.67 1i5c s LYS 426 CO 0.00 0.50 1.37 -2.14 -0.92 0.00 0.00 175.35 174.16 1i5c s PRO 427 N -2.71 4.15 0.31 -1.68 0.02 -1.26 -3.92 135.00 129.92 1i5c s PRO 427 Ca 0.28 2.33 0.07 0.00 0.02 0.00 0.00 61.00 63.70 1i5c s PRO 427 Cb -0.11 -2.94 0.79 0.00 0.02 0.00 0.00 34.50 32.26 1i5c s PRO 427 CO 0.20 -0.40 1.75 -1.35 -0.33 0.00 0.00 177.00 176.87 1i5c h PRO 428 N 3.04 0.63 -6.01 5.54 0.11 -1.92 -3.39 132.00 130.01 1i5c h PRO 428 Ca -0.50 -0.04 -0.59 0.00 0.11 0.00 0.00 66.00 64.99 1i5c h PRO 428 Cb 1.24 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.13 1i5c h PRO 428 CO 0.64 0.42 0.65 0.42 -0.21 0.00 0.00 178.00 179.92 1i5c s ILE 429 N -5.83 4.69 0.56 4.15 1.01 -1.26 -4.64 121.20 119.88 1i5c s ILE 429 Ca -0.11 1.66 -0.10 0.00 0.00 0.00 0.00 60.65 62.10 1i5c s ILE 429 Cb 0.26 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 1i5c s ILE 429 CO 0.80 -0.25 0.94 -0.83 0.00 0.00 0.00 174.94 175.60 1i5c s GLY 430 N 1.44 1.69 -0.10 6.18 0.00 0.81 -4.86 107.32 112.49 1i5c s GLY 430 Ca 0.40 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.96 1i5c s GLY 430 CO 0.10 0.07 -0.13 -1.59 0.00 0.00 0.00 173.10 171.55 1i5c s THR 431 N -2.94 3.11 -0.13 0.90 2.01 -1.26 -0.29 115.64 117.04 1i5c s THR 431 Ca 0.53 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1i5c s THR 431 Cb -0.11 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1i5c s THR 431 CO 0.47 0.55 -0.05 -0.22 -0.69 0.00 0.00 174.62 174.68 1i5c s LEU 432 N -0.13 1.27 -0.17 4.42 0.20 -0.75 -2.64 118.68 120.89 1i5c s LEU 432 Ca -0.01 -0.43 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 1i5c s LEU 432 Cb -0.14 -0.81 -0.00 0.00 -0.43 0.00 0.00 46.19 44.82 1i5c s LEU 432 CO 0.03 -0.16 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.16 1i5c s ILE 433 N 1.72 2.72 -0.22 6.68 1.01 0.54 -0.39 121.20 133.26 1i5c s ILE 433 Ca 0.03 -0.74 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 1i5c s ILE 433 Cb -0.14 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1i5c s ILE 433 CO -0.08 0.51 -0.06 -0.22 0.00 0.00 0.00 174.94 175.09 1i5c s LEU 434 N 0.94 2.89 0.11 2.97 2.96 0.32 -1.08 118.68 127.79 1i5c s LEU 434 Ca -0.03 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1i5c s LEU 434 Cb -0.15 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1i5c s LEU 434 CO -0.02 -0.04 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.36 1i5c s SER 435 N 1.43 2.20 0.00 3.68 0.01 0.14 -1.06 113.70 120.12 1i5c s SER 435 Ca 0.05 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1i5c s SER 435 Cb -0.15 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 65.98 1i5c s SER 435 CO -0.04 -0.04 -0.01 0.00 0.41 0.00 0.00 173.24 173.55 1i5c s ALA 436 N -1.59 0.05 0.07 1.44 0.00 -0.69 -0.75 121.76 120.29 1i5c s ALA 436 Ca 0.06 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 1i5c s ALA 436 Cb -0.08 0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.16 1i5c s ALA 436 CO 0.04 -0.03 1.15 -0.98 0.00 0.00 0.00 175.76 175.93 1i5c s ARG 437 N -0.35 0.80 -0.19 0.00 1.70 -0.52 -4.19 118.95 116.20 1i5c s ARG 437 Ca -0.04 -0.47 -0.06 0.00 -0.47 0.00 0.00 55.73 54.69 1i5c s ARG 437 Cb -0.02 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.58 1i5c s ARG 437 CO -0.00 -0.37 0.03 -1.01 -1.08 0.00 0.00 175.30 172.87 1i5c s HIS 438 N -2.57 3.13 -0.03 5.89 3.76 -1.26 0.37 115.29 124.56 1i5c s HIS 438 Ca 0.17 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.90 1i5c s HIS 438 Cb 0.01 -2.07 0.02 0.00 1.11 0.00 0.00 32.58 31.65 1i5c s HIS 438 CO 0.00 -0.04 -0.03 -2.00 -0.85 0.00 0.00 174.74 171.82 1i5c s GLU 439 N 0.68 0.59 7.29 1.40 2.12 -0.36 -4.94 118.70 125.47 1i5c s GLU 439 Ca 0.01 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1i5c s GLU 439 Cb -0.14 -0.66 0.00 0.00 0.26 0.00 0.00 34.13 33.59 1i5c s GLU 439 CO 0.02 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 1i5c n GLY 440 N 3.98 3.09 2.45 -1.50 0.00 -1.26 -1.37 105.19 110.58 1i5c n GLY 440 Ca -0.25 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 4.34 4.92 -4.14 1.61 5.15 -1.26 -5.02 115.26 120.87 1i5c n ASN 441 Ca 0.00 -3.73 -0.12 0.00 -0.60 0.00 0.00 54.58 50.13 1i5c n ASN 441 Cb 0.00 -0.49 -0.10 0.00 -0.53 0.00 0.00 39.78 38.66 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 -3.39 1.07 -0.20 1.20 0.01 -0.47 -3.43 114.94 109.72 1i5c s ASN 442 Ca 0.49 -0.85 -0.17 0.00 -0.71 0.00 0.00 52.86 51.61 1i5c s ASN 442 Cb 0.40 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 42.10 1i5c s ASN 442 CO -0.18 -0.37 0.47 -0.69 -1.51 0.00 0.00 177.10 174.82 1i5c s VAL 443 N -2.85 5.14 -0.19 1.60 1.01 0.12 -1.23 120.40 124.00 1i5c s VAL 443 Ca 0.05 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.83 1i5c s VAL 443 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1i5c s VAL 443 CO -0.03 0.20 -0.04 -0.69 0.00 0.00 0.00 175.10 174.55 1i5c s VAL 444 N 1.55 3.63 -0.13 2.92 1.01 0.16 -1.26 120.40 128.27 1i5c s VAL 444 Ca 0.22 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1i5c s VAL 444 Cb -0.15 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1i5c s VAL 444 CO 0.09 0.44 -0.22 -0.63 0.00 0.00 0.00 175.10 174.79 1i5c s ILE 445 N 1.03 2.15 -0.02 2.22 1.01 -0.24 -1.44 121.20 125.90 1i5c s ILE 445 Ca 0.01 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1i5c s ILE 445 Cb -0.15 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1i5c s ILE 445 CO 0.01 0.55 -0.19 -1.61 0.00 0.00 0.00 174.94 173.70 1i5c s GLU 446 N 0.68 1.64 -0.20 2.79 2.02 0.07 -0.82 118.70 124.88 1i5c s GLU 446 Ca -0.10 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1i5c s GLU 446 Cb -0.16 -1.53 0.04 0.00 0.10 0.00 0.00 34.13 32.58 1i5c s GLU 446 CO 0.01 0.36 -0.14 0.08 0.02 0.00 0.00 175.26 175.59 1i5c s VAL 447 N -0.30 1.90 -0.02 2.63 1.01 -0.55 -0.68 120.40 124.39 1i5c s VAL 447 Ca 0.04 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1i5c s VAL 447 Cb -0.09 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1i5c s VAL 447 CO 0.00 0.26 -0.08 -0.70 0.00 0.00 0.00 175.10 174.58 1i5c s GLU 448 N 1.30 0.79 0.15 2.72 2.12 -0.24 -1.09 118.70 124.45 1i5c s GLU 448 Ca -0.01 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.12 1i5c s GLU 448 Cb -0.16 -0.76 -0.04 0.00 0.26 0.00 0.00 34.13 33.43 1i5c s GLU 448 CO -0.09 0.11 -0.13 0.16 -0.54 0.00 0.00 175.26 174.77 1i5c s ASP 449 N 0.13 2.13 -0.57 -1.70 -4.77 -0.46 -0.34 116.67 111.09 1i5c s ASP 449 Ca -0.02 -0.93 0.01 0.00 -3.30 0.00 0.00 52.55 48.32 1i5c s ASP 449 Cb -0.07 -0.07 0.43 0.00 -1.09 0.00 0.00 42.92 42.12 1i5c s ASP 449 CO 0.00 -0.20 1.69 -0.90 0.70 0.00 0.00 175.17 176.46 1i5c n ASP 450 N 0.05 6.57 -2.12 2.11 3.85 -1.08 -2.14 116.55 123.78 1i5c n ASP 450 Ca -0.12 -3.78 0.00 0.00 -0.71 0.00 0.00 54.79 50.18 1i5c n ASP 450 Cb 0.59 -0.76 0.00 0.00 -1.35 0.00 0.00 41.12 39.60 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 -0.75 1.08 0.24 6.12 0.00 -1.23 -4.66 105.19 105.99 1i5c n GLY 451 Ca 0.53 -1.63 0.16 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.50 -2.94 114.38 111.66 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 0.08 -1.63 3.73 0.08 0.00 -1.26 0.41 105.19 106.60 1i5c n GLY 453 Ca 0.01 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -3.25 2.91 -0.86 -0.61 1.01 -1.26 -4.79 121.20 114.34 1i5c s ILE 454 Ca 0.00 0.71 -0.25 0.00 0.00 0.00 0.00 60.65 61.11 1i5c s ILE 454 Cb 0.00 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 39.03 1i5c s ILE 454 CO 0.00 0.09 1.57 -0.62 0.00 0.00 0.00 174.94 175.98 1i5c s ASP 455 N 0.64 5.94 0.34 3.58 3.68 -1.26 -4.79 116.67 124.80 1i5c s ASP 455 Ca 0.62 -0.76 0.09 0.00 2.13 0.00 0.00 52.55 54.62 1i5c s ASP 455 Cb -0.40 -2.56 0.62 0.00 -1.45 0.00 0.00 42.92 39.13 1i5c s ASP 455 CO 0.37 -1.99 1.80 0.11 0.13 0.00 0.00 175.17 175.60 1i5c h LYS 456 N 10.94 0.20 -0.31 4.34 1.57 -1.99 -2.77 116.57 128.55 1i5c h LYS 456 Ca -0.02 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1i5c h LYS 456 Cb 1.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1i5c h LYS 456 CO 1.31 0.49 -0.29 1.49 -0.57 0.00 0.00 179.45 181.88 1i5c h GLU 457 N 0.18 0.64 -0.70 3.15 4.57 -2.00 -1.93 114.58 118.49 1i5c h GLU 457 Ca 0.03 -0.27 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1i5c h GLU 457 Cb 0.62 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1i5c h GLU 457 CO 0.05 0.86 0.45 -0.22 -1.18 0.00 0.00 179.01 178.97 1i5c h LYS 458 N 0.55 0.89 -0.10 1.92 3.64 -1.90 -0.52 116.57 121.04 1i5c h LYS 458 Ca 0.07 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1i5c h LYS 458 Cb 0.78 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1i5c h LYS 458 CO 0.06 0.59 0.05 0.82 -2.27 0.00 0.00 179.45 178.70 1i5c h ILE 459 N 0.92 1.12 -0.58 2.00 2.04 -1.35 -1.40 117.51 120.26 1i5c h ILE 459 Ca 0.26 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1i5c h ILE 459 Cb -0.07 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 1i5c h ILE 459 CO -0.07 0.10 0.28 0.40 0.00 0.00 0.00 178.15 178.86 1i5c h ILE 460 N 0.04 0.90 -0.77 -0.67 2.04 -1.01 0.23 117.51 118.28 1i5c h ILE 460 Ca 0.04 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1i5c h ILE 460 Cb 0.12 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1i5c h ILE 460 CO -0.00 0.09 0.40 0.03 0.00 0.00 0.00 178.15 178.67 1i5c h ARG 461 N 0.52 1.08 -0.58 2.37 3.08 -0.88 -0.48 114.38 119.48 1i5c h ARG 461 Ca 0.27 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1i5c h ARG 461 Cb 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1i5c h ARG 461 CO -0.21 0.82 0.01 0.87 -1.07 0.00 0.00 179.97 180.39 1i5c h LYS 462 N 1.07 1.01 -0.77 0.04 1.57 -0.29 -1.46 116.57 117.74 1i5c h LYS 462 Ca 0.27 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1i5c h LYS 462 Cb 0.07 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1i5c h LYS 462 CO -0.04 0.99 0.40 0.00 -0.57 0.00 0.00 179.45 180.23 1i5c h ALA 463 N 1.07 0.98 -0.29 3.86 0.00 0.05 -1.02 119.26 123.92 1i5c h ALA 463 Ca 0.17 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1i5c h ALA 463 Cb 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i5c h ALA 463 CO 0.03 0.52 -0.08 0.82 0.00 0.00 0.00 179.25 180.53 1i5c h ILE 464 N 1.07 1.28 -0.62 0.00 2.04 -0.91 -1.71 117.51 118.67 1i5c h ILE 464 Ca 0.27 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1i5c h ILE 464 Cb 0.07 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1i5c h ILE 464 CO -0.04 0.36 0.35 -0.08 0.00 0.00 0.00 178.15 178.74 1i5c h GLU 465 N 0.32 0.65 0.00 2.37 4.81 -1.00 0.32 114.58 122.04 1i5c h GLU 465 Ca 0.07 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1i5c h GLU 465 Cb 0.57 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1i5c h GLU 465 CO 0.03 0.43 0.00 1.63 -0.73 0.00 0.00 179.01 180.37 1i5c n LYS 466 N -4.79 0.35 -1.02 1.92 5.02 -0.41 -4.86 118.16 114.37 1i5c n LYS 466 Ca 0.07 0.08 -0.01 0.00 -2.02 0.00 0.00 58.31 56.43 1i5c n LYS 466 Cb 0.14 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.64 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 0.17 0.39 0.14 0.72 0.00 0.10 -4.89 105.19 101.82 1i5c n GLY 467 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1i5c n GLY 467 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1i5c h LEU 468 N 0.00 0.00 -8.41 0.99 3.38 -1.53 -3.46 115.31 106.28 1i5c h LEU 468 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1i5c h LEU 468 Cb 0.36 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.96 1i5c h LEU 468 CO 0.02 0.59 -0.66 -0.51 0.09 0.00 0.00 178.44 177.97 1i5c s ILE 469 N -3.50 0.28 0.40 1.22 1.10 -1.20 -5.03 121.20 114.47 1i5c s ILE 469 Ca -0.01 -1.90 0.07 0.00 -0.51 0.00 0.00 60.65 58.31 1i5c s ILE 469 Cb 0.12 -1.88 -0.07 0.00 0.15 0.00 0.00 42.46 40.78 1i5c s ILE 469 CO 0.75 -0.65 0.04 1.51 -2.11 0.00 0.00 174.94 174.48 1i5c s ASP 470 N -3.03 4.02 0.15 4.50 3.84 -1.26 -4.32 116.67 120.57 1i5c s ASP 470 Ca 0.18 -1.26 -0.23 0.00 -0.00 0.00 0.00 52.55 51.25 1i5c s ASP 470 Cb 0.07 -0.42 0.03 0.00 -1.38 0.00 0.00 42.92 41.22 1i5c s ASP 470 CO -0.02 -0.43 1.62 -0.08 -0.00 0.00 0.00 175.17 176.26 1i5c h GLU 471 N 1.71 -0.26 -0.42 2.11 4.57 -1.99 0.11 114.58 120.42 1i5c h GLU 471 Ca -0.43 0.02 0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1i5c h GLU 471 Cb 1.24 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.86 1i5c h GLU 471 CO 0.76 -0.17 0.24 0.77 -1.18 0.00 0.00 179.01 179.43 1i5c h SER 472 N -0.27 0.37 -0.60 1.04 0.02 -2.01 -2.70 113.55 109.41 1i5c h SER 472 Ca 0.14 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1i5c h SER 472 Cb 0.48 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1i5c h SER 472 CO -0.40 0.27 0.17 0.50 -1.14 0.00 0.00 176.83 176.23 1i5c h LYS 473 N 0.48 0.95 -0.96 3.45 3.11 -1.88 -2.96 116.57 118.76 1i5c h LYS 473 Ca 0.17 -0.21 0.17 0.00 -2.81 0.00 0.00 60.65 57.97 1i5c h LYS 473 Cb 0.03 -0.13 -0.10 0.00 -1.00 0.00 0.00 32.23 31.03 1i5c h LYS 473 CO -0.09 0.85 0.57 0.00 -2.81 0.00 0.00 179.45 177.97 1i5c h ALA 474 N 1.05 1.54 0.00 5.00 0.00 -0.46 0.06 119.26 126.45 1i5c h ALA 474 Ca 0.19 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i5c h ALA 474 Cb 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1i5c h ALA 474 CO -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 1i5c h ALA 475 N 1.61 1.00 0.00 0.00 0.00 -1.34 -2.92 119.26 117.61 1i5c h ALA 475 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1i5c h ALA 475 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1i5c h ALA 475 CO -0.36 0.00 -1.04 0.25 0.00 0.00 0.00 179.25 178.10 1i5c n THR 476 N -2.63 0.23 -1.81 0.00 -2.24 -0.00 -4.97 114.28 102.85 1i5c n THR 476 Ca 0.01 -0.29 -0.40 0.00 -2.27 0.00 0.00 64.05 61.09 1i5c n THR 476 Cb 0.23 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1i5c n THR 476 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1i5c s LEU 477 N -4.15 4.14 0.65 3.22 1.43 -1.10 -5.02 118.68 117.85 1i5c s LEU 477 Ca 0.03 2.92 -0.09 0.00 -1.03 0.00 0.00 54.13 55.96 1i5c s LEU 477 Cb 0.14 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1i5c s LEU 477 CO 0.80 -1.14 1.01 -0.94 0.23 0.00 0.00 176.35 176.31 1i5c s SER 478 N -0.48 5.51 0.28 2.29 1.04 -1.26 -4.92 113.70 116.15 1i5c s SER 478 Ca 0.60 0.94 -0.02 0.00 0.48 0.00 0.00 55.95 57.95 1i5c s SER 478 Cb -0.44 -1.83 0.39 0.00 0.10 0.00 0.00 66.02 64.24 1i5c s SER 478 CO 0.57 -1.22 1.84 0.44 0.98 0.00 0.00 173.24 175.85 1i5c h ASP 479 N -0.44 0.83 -0.33 7.02 3.32 -2.00 -2.19 116.42 122.64 1i5c h ASP 479 Ca -0.45 -0.12 -0.08 0.00 0.02 0.00 0.00 57.03 56.39 1i5c h ASP 479 Cb 1.25 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1i5c h ASP 479 CO 0.62 0.77 -0.07 1.56 -1.72 0.00 0.00 179.24 180.40 1i5c h GLN 480 N 0.88 0.74 -0.48 3.56 1.08 -1.95 -0.49 115.11 118.45 1i5c h GLN 480 Ca 0.20 -0.22 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1i5c h GLN 480 Cb 0.22 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1i5c h GLN 480 CO -0.01 0.80 0.01 0.93 -0.95 0.00 0.00 178.83 179.61 1i5c h GLU 481 N 0.68 0.80 0.34 1.46 5.08 -1.83 -0.57 114.58 120.53 1i5c h GLU 481 Ca 0.12 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1i5c h GLU 481 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1i5c h GLU 481 CO 0.03 0.80 -0.16 0.82 -1.00 0.00 0.00 179.01 179.49 1i5c h ILE 482 N 0.74 0.56 -0.88 3.13 2.04 -0.93 -3.12 117.51 119.06 1i5c h ILE 482 Ca 0.15 -0.67 0.18 0.00 1.00 0.00 0.00 64.86 65.52 1i5c h ILE 482 Cb 0.44 0.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1i5c h ILE 482 CO 0.02 0.11 0.58 -0.07 0.00 0.00 0.00 178.15 178.78 1i5c h LEU 483 N -0.88 0.49 -2.13 1.44 3.38 -1.04 -1.66 115.31 114.91 1i5c h LEU 483 Ca -0.05 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1i5c h LEU 483 Cb 0.53 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1i5c h LEU 483 CO 0.08 0.22 0.13 0.78 0.09 0.00 0.00 178.44 179.74 1i5c h ASN 484 N 0.50 0.00 -0.14 -0.43 4.21 -1.03 -2.15 115.58 116.55 1i5c h ASN 484 Ca 0.45 0.00 0.04 0.00 1.21 0.00 0.00 56.30 58.00 1i5c h ASN 484 Cb 0.98 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.17 1i5c h ASN 484 CO -0.19 0.00 0.15 -0.26 -1.29 0.00 0.00 177.43 175.85 1i5c h PHE 485 N 0.00 0.00 0.00 1.19 -1.00 -1.34 -0.35 116.94 115.45 1i5c h PHE 485 Ca 0.08 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 1i5c h PHE 485 Cb 0.34 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 1i5c h PHE 485 CO 0.00 0.00 -0.04 -0.07 -1.61 0.00 0.00 178.31 176.59 1i5c h LEU 486 N 0.00 0.00 0.00 1.54 4.07 -1.58 -1.57 115.31 117.78 1i5c h LEU 486 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 1i5c h LEU 486 Cb 0.37 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.11 1i5c h LEU 486 CO -0.00 0.04 -0.29 0.49 -1.08 0.00 0.00 178.44 177.60 1i5c n PHE 487 N -3.76 0.64 -2.10 1.13 0.99 -0.14 -3.56 117.46 110.67 1i5c n PHE 487 Ca -0.03 0.19 -0.43 0.00 -0.00 0.00 0.00 57.45 57.19 1i5c n PHE 487 Cb 0.13 -0.74 -0.03 0.00 -1.00 0.00 0.00 39.48 37.84 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 -3.11 3.73 0.13 -4.37 1.01 -0.59 -4.45 120.40 112.74 1i5c s VAL 488 Ca 0.09 0.87 -0.35 0.00 0.00 0.00 0.00 61.98 62.59 1i5c s VAL 488 Cb 0.14 -3.60 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 1i5c s VAL 488 CO 0.65 -0.12 1.53 -0.81 0.00 0.00 0.00 175.10 176.35 1i5c n PRO 489 N 7.15 1.89 -0.99 2.72 -0.04 -1.26 -1.17 135.00 143.29 1i5c n PRO 489 Ca 0.17 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1i5c n PRO 489 Cb 0.44 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 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 3.24 0.91 0.06 0.55 0.00 -1.26 -4.93 105.19 103.77 1i5c n GLY 490 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.05 -1.83 1.61 3.57 -1.45 -3.46 116.94 115.42 1i5c h PHE 491 Ca 0.00 -0.01 -0.46 0.00 3.53 0.00 0.00 57.97 61.02 1i5c h PHE 491 Cb 0.00 -0.01 0.06 0.00 2.79 0.00 0.00 35.95 38.79 1i5c h PHE 491 CO 0.00 0.50 -0.00 -1.12 -2.23 0.00 0.00 178.31 175.46 1i5c s SER 492 N -5.72 4.82 0.00 0.41 0.01 -1.26 -5.07 113.70 106.88 1i5c s SER 492 Ca -0.16 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1i5c s SER 492 Cb 0.02 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.09 1i5c s SER 492 CO 0.68 -1.50 0.00 1.07 0.41 0.00 0.00 173.24 173.90 1i5c n THR 493 N -2.51 0.00 0.00 1.44 5.66 -1.26 -5.13 114.28 112.47 1i5c n THR 493 Ca 0.13 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.13 1i5c n THR 493 Cb 0.60 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 1i5c n THR 493 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1i5c n LYS 494 N 0.00 0.00 -2.72 1.09 5.02 -1.26 -5.03 118.16 115.27 1i5c n LYS 494 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1i5c n LYS 494 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1i5c n LYS 494 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i5c n GLY 504 N -0.66 1.12 3.69 0.72 0.00 -1.26 -5.24 105.19 103.55 1i5c n GLY 504 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 1i5c n GLY 504 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i5c s VAL 505 N 0.08 5.07 0.38 1.61 1.01 -1.26 -4.96 120.40 122.34 1i5c s VAL 505 Ca 0.22 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1i5c s VAL 505 Cb 0.36 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1i5c s VAL 505 CO -0.07 0.20 0.09 -0.83 0.00 0.00 0.00 175.10 174.49 1i5c s GLY 506 N 0.97 2.44 0.48 4.51 0.00 -1.26 -4.99 107.32 109.46 1i5c s GLY 506 Ca 0.30 -1.47 0.16 0.00 0.00 0.00 0.00 44.72 43.70 1i5c s GLY 506 CO 0.12 -1.85 2.05 1.98 0.00 0.00 0.00 173.10 175.40 1i5c h MET 507 N 1.88 0.00 -0.21 2.90 1.85 -1.97 -0.50 114.93 118.89 1i5c h MET 507 Ca -0.38 0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 58.62 1i5c h MET 507 Cb 1.27 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.28 1i5c h MET 507 CO 0.63 0.12 -0.28 0.38 -0.40 0.00 0.00 176.91 177.35 1i5c h ASP 508 N 0.00 0.40 -0.01 1.39 -0.00 -1.77 -1.62 116.42 114.80 1i5c h ASP 508 Ca -0.00 -0.14 -0.22 0.00 -0.00 0.00 0.00 57.03 56.67 1i5c h ASP 508 Cb 0.21 -0.11 0.01 0.00 -0.00 0.00 0.00 39.33 39.44 1i5c h ASP 508 CO 0.02 0.67 -0.82 0.58 -0.00 0.00 0.00 179.24 179.69 1i5c h VAL 509 N 0.35 1.31 -0.41 4.15 2.07 -1.49 -2.27 116.25 119.96 1i5c h VAL 509 Ca 0.05 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1i5c h VAL 509 Cb 0.68 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 1i5c h VAL 509 CO 0.05 0.65 0.27 0.58 0.02 0.00 0.00 177.57 179.14 1i5c h VAL 510 N 0.45 1.10 -0.41 2.57 2.07 -0.99 -1.65 116.25 119.39 1i5c h VAL 510 Ca -0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1i5c h VAL 510 Cb 1.44 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1i5c h VAL 510 CO 0.16 0.10 0.22 0.50 0.02 0.00 0.00 177.57 178.57 1i5c h LYS 511 N 0.56 0.58 -0.52 1.57 3.64 -1.26 -1.65 116.57 119.48 1i5c h LYS 511 Ca 0.15 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1i5c h LYS 511 Cb -0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1i5c h LYS 511 CO -0.03 0.48 0.34 -0.97 -2.27 0.00 0.00 179.45 176.99 1i5c h ASN 512 N 0.53 0.58 -0.44 4.20 -1.24 -1.13 -0.55 115.58 117.54 1i5c h ASN 512 Ca 0.14 -0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 1i5c h ASN 512 Cb 0.07 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1i5c h ASN 512 CO -0.02 0.42 0.17 0.58 -1.29 0.00 0.00 177.43 177.29 1i5c h VAL 513 N 0.69 1.20 -0.43 2.57 2.07 -1.13 -1.08 116.25 120.15 1i5c h VAL 513 Ca 0.19 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1i5c h VAL 513 Cb -0.06 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1i5c h VAL 513 CO -0.05 0.23 0.28 0.58 0.02 0.00 0.00 177.57 178.63 1i5c h VAL 514 N 0.56 1.11 -0.68 2.57 2.07 -1.00 -2.47 116.25 118.42 1i5c h VAL 514 Ca 0.14 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1i5c h VAL 514 Cb 0.20 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1i5c h VAL 514 CO -0.01 0.11 0.32 -0.33 0.02 0.00 0.00 177.57 177.68 1i5c h GLU 515 N 0.57 0.96 0.00 1.57 4.39 -0.89 0.11 114.58 121.29 1i5c h GLU 515 Ca 0.16 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1i5c h GLU 515 Cb -0.06 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.41 1i5c h GLU 515 CO -0.03 0.74 0.00 0.66 -1.16 0.00 0.00 179.01 179.22 1i5c h SER 516 N 0.96 0.00 -0.65 1.42 4.64 -0.74 0.34 113.55 119.52 1i5c h SER 516 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1i5c h SER 516 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1i5c h SER 516 CO -0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.11 1i5c n LEU 517 N -2.49 4.37 -1.50 5.97 4.77 -0.69 -4.90 117.00 122.52 1i5c n LEU 517 Ca -0.00 -2.28 -0.14 0.00 -0.03 0.00 0.00 56.01 53.55 1i5c n LEU 517 Cb 0.15 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1i5c n LEU 517 CO 0.17 0.87 -0.17 0.59 -1.33 0.00 0.00 177.39 177.52 1i5c n ASN 518 N 1.22 -4.51 -4.42 -1.43 3.02 0.12 -4.57 115.26 104.70 1i5c n ASN 518 Ca 0.24 0.09 -0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1i5c n ASN 518 Cb 0.77 -3.55 0.06 0.00 -0.61 0.00 0.00 39.78 36.45 1i5c n ASN 518 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i5c n GLY 519 N -1.07 1.81 3.08 7.41 0.00 0.31 -4.44 105.19 112.29 1i5c n GLY 519 Ca -0.16 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.05 0.70 -0.02 1.61 0.15 0.08 -3.97 113.70 108.20 1i5c s SER 520 Ca 0.51 -0.75 -0.01 0.00 0.70 0.00 0.00 55.95 56.40 1i5c s SER 520 Cb -0.04 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 1i5c s SER 520 CO 0.33 -0.38 0.04 -0.51 1.20 0.00 0.00 173.24 173.92 1i5c s ILE 521 N -2.54 -0.00 0.05 6.45 2.07 -1.26 -0.65 121.20 125.32 1i5c s ILE 521 Ca -0.02 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.23 1i5c s ILE 521 Cb -0.02 -0.07 -0.03 0.00 0.13 0.00 0.00 42.46 42.47 1i5c s ILE 521 CO -0.04 0.01 -0.04 -0.94 -1.91 0.00 0.00 174.94 172.02 1i5c s SER 522 N 0.10 0.54 0.04 4.50 1.04 -0.31 -5.00 113.70 114.60 1i5c s SER 522 Ca -0.01 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 55.67 1i5c s SER 522 Cb -0.01 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 1i5c s SER 522 CO -0.00 -0.46 -0.20 -0.63 0.98 0.00 0.00 173.24 172.92 1i5c s ILE 523 N -2.97 1.63 -0.02 -1.02 1.01 -1.26 -1.10 121.20 117.47 1i5c s ILE 523 Ca -0.00 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1i5c s ILE 523 Cb 0.01 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 41.08 1i5c s ILE 523 CO -0.06 0.22 -0.02 -0.70 0.00 0.00 0.00 174.94 174.38 1i5c s GLU 524 N -1.12 0.38 -0.24 2.79 2.12 -0.14 -5.02 118.70 117.47 1i5c s GLU 524 Ca 0.07 -0.01 -0.20 0.00 0.36 0.00 0.00 54.97 55.19 1i5c s GLU 524 Cb -0.09 -0.48 0.06 0.00 0.26 0.00 0.00 34.13 33.89 1i5c s GLU 524 CO 0.02 -0.06 0.63 0.45 -0.54 0.00 0.00 175.26 175.75 1i5c s SER 525 N 0.68 -0.70 -0.09 -1.70 0.15 -1.26 -0.44 113.70 110.34 1i5c s SER 525 Ca -0.07 1.29 0.04 0.00 0.70 0.00 0.00 55.95 57.91 1i5c s SER 525 Cb -0.10 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.49 1i5c s SER 525 CO -0.01 -0.22 -0.21 -1.61 1.20 0.00 0.00 173.24 172.39 1i5c s GLU 526 N 0.62 2.72 0.10 5.44 0.41 -0.92 -4.90 118.70 122.17 1i5c s GLU 526 Ca -0.02 -0.77 -0.36 0.00 -0.41 0.00 0.00 54.97 53.40 1i5c s GLU 526 Cb -0.05 -2.09 -0.16 0.00 -1.78 0.00 0.00 34.13 30.05 1i5c s GLU 526 CO -0.03 0.15 1.38 1.17 -0.49 0.00 0.00 175.26 177.44 1i5c n LYS 527 N 3.56 1.33 -0.57 1.61 4.81 -1.26 -0.78 118.16 126.85 1i5c n LYS 527 Ca -0.20 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 1i5c n LYS 527 Cb 0.53 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.43 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 2.68 -0.55 -0.11 3.14 8.00 0.17 -4.71 116.55 125.17 1i5c n ASP 528 Ca 0.18 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.49 1i5c n ASP 528 Cb 0.21 -2.47 -0.07 0.00 -0.02 0.00 0.00 41.12 38.77 1i5c n ASP 528 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1i5c n LYS 529 N -1.74 0.55 -2.85 -1.24 0.00 0.04 -4.72 118.16 108.21 1i5c n LYS 529 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 58.31 58.66 1i5c n LYS 529 Cb 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.52 1i5c n LYS 529 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i5c n GLY 530 N 1.39 -0.54 2.96 3.14 0.00 -0.90 -3.53 105.19 107.71 1i5c n GLY 530 Ca -0.33 -1.40 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.78 0.17 -0.04 2.61 2.01 -0.91 -2.17 115.64 114.53 1i5c s THR 531 Ca 0.00 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1i5c s THR 531 Cb 0.00 -0.25 0.03 0.00 0.01 0.00 0.00 72.50 72.29 1i5c s THR 531 CO 0.00 -0.28 0.05 -0.75 -0.69 0.00 0.00 174.62 172.95 1i5c s LYS 532 N -0.94 -0.04 -0.17 4.92 2.36 0.41 -1.36 119.74 124.92 1i5c s LYS 532 Ca -0.09 0.33 -0.03 0.00 -2.55 0.00 0.00 55.97 53.63 1i5c s LYS 532 Cb -0.06 -0.47 -0.02 0.00 -1.05 0.00 0.00 37.83 36.22 1i5c s LYS 532 CO -0.00 -0.29 -0.05 0.08 1.55 0.00 0.00 175.35 176.63 1i5c s VAL 533 N 1.93 3.69 -0.10 4.02 1.01 -0.25 -0.97 120.40 129.74 1i5c s VAL 533 Ca 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1i5c s VAL 533 Cb -0.12 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1i5c s VAL 533 CO -0.03 0.48 -0.17 -0.89 0.00 0.00 0.00 175.10 174.49 1i5c s THR 534 N 0.59 2.76 -0.07 3.92 2.01 -0.26 -1.49 115.64 123.11 1i5c s THR 534 Ca -0.03 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.23 1i5c s THR 534 Cb -0.15 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 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 0.04 1.90 -0.11 1.82 1.01 0.00 -1.16 121.20 124.70 1i5c s ILE 535 Ca -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.65 1i5c s ILE 535 Cb -0.15 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1i5c s ILE 535 CO 0.05 0.53 -0.19 -0.13 0.00 0.00 0.00 174.94 175.19 1i5c s ARG 536 N 0.04 3.16 0.09 2.79 0.52 0.18 -1.08 118.95 124.65 1i5c s ARG 536 Ca -0.08 -0.80 0.09 0.00 -0.52 0.00 0.00 55.73 54.42 1i5c s ARG 536 Cb -0.14 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 1i5c s ARG 536 CO 0.05 0.21 -0.24 -0.51 0.02 0.00 0.00 175.30 174.83 1i5c s LEU 537 N 0.31 2.27 0.56 2.53 1.43 -0.39 -0.74 118.68 124.65 1i5c s LEU 537 Ca -0.15 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.08 1i5c s LEU 537 Cb -0.17 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 1i5c s LEU 537 CO 0.07 0.14 1.21 -2.16 0.23 0.00 0.00 176.35 175.85 1i5c s PRO 538 N -1.75 3.15 -0.26 1.29 0.04 -1.26 -0.70 135.00 135.51 1i5c s PRO 538 Ca 0.10 1.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 1i5c s PRO 538 Cb -0.10 -2.05 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 1i5c s PRO 538 CO 0.04 -1.07 -0.28 1.28 0.04 0.00 0.00 177.00 177.01 1i5c n LEU 539 N -1.33 2.39 0.00 -3.56 4.77 -1.22 -4.67 117.00 113.39 1i5c n LEU 539 Ca 0.12 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1i5c n LEU 539 Cb 0.49 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1i5c n LEU 539 CO 0.46 0.72 0.17 0.41 -1.33 0.00 0.00 177.39 177.82