#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dma n LEU 401 N 0.00 5.03 0.00 4.37 4.77 -1.26 -4.78 117.00 125.13 1dma n LEU 401 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1dma n LEU 401 Cb 0.00 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1dma n LEU 401 CO 0.00 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1dma n GLY 402 N 0.41 -1.12 3.59 -0.72 0.00 -1.26 -4.85 105.19 101.24 1dma n GLY 402 Ca 0.25 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1dma n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dma s ASP 403 N -4.00 6.46 0.00 1.61 1.01 -1.26 -4.98 116.67 115.51 1dma s ASP 403 Ca 0.00 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.57 1dma s ASP 403 Cb 0.00 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1dma s ASP 403 CO 0.00 -0.51 0.00 0.61 0.21 0.00 0.00 175.17 175.48 1dma n GLY 404 N 4.53 0.35 3.19 0.21 0.00 -1.26 -5.06 105.19 107.15 1dma n GLY 404 Ca -0.01 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1dma n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 405 N 0.00 -3.32 3.60 -0.02 0.00 -1.26 -4.96 105.19 99.23 1dma n GLY 405 Ca 0.00 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 1dma n GLY 405 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dma s ASP 406 N -1.48 6.36 0.30 1.61 -4.77 -1.26 -5.00 116.67 112.44 1dma s ASP 406 Ca 0.48 0.31 -0.29 0.00 -3.30 0.00 0.00 52.55 49.75 1dma s ASP 406 Cb -0.17 -2.26 -0.10 0.00 -1.09 0.00 0.00 42.92 39.30 1dma s ASP 406 CO 0.74 -0.33 1.17 -0.69 0.70 0.00 0.00 175.17 176.77 1dma s VAL 407 N 2.30 3.22 -0.03 2.11 1.01 -1.25 -4.66 120.40 123.09 1dma s VAL 407 Ca 0.19 1.22 -0.16 0.00 0.00 0.00 0.00 61.98 63.23 1dma s VAL 407 Cb -0.16 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1dma s VAL 407 CO 0.11 0.28 0.35 -0.94 0.00 0.00 0.00 175.10 174.89 1dma s SER 408 N -0.76 -0.25 -0.26 3.32 1.04 -1.07 -4.94 113.70 110.78 1dma s SER 408 Ca 0.46 0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.93 1dma s SER 408 Cb -0.34 0.38 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 1dma s SER 408 CO 0.45 -0.42 0.53 -0.36 0.98 0.00 0.00 173.24 174.41 1dma s PHE 409 N -1.13 3.27 0.05 5.02 0.08 -1.26 0.02 117.98 124.03 1dma s PHE 409 Ca -0.12 0.66 0.05 0.00 0.12 0.00 0.00 56.93 57.64 1dma s PHE 409 Cb -0.05 -2.73 -0.02 0.00 -0.57 0.00 0.00 43.02 39.65 1dma s PHE 409 CO 0.04 -0.28 -0.14 0.45 -0.10 0.00 0.00 175.22 175.19 1dma s SER 410 N 1.53 1.72 0.62 1.36 0.15 -0.94 -4.98 113.70 113.16 1dma s SER 410 Ca 0.22 -0.52 0.31 0.00 0.70 0.00 0.00 55.95 56.65 1dma s SER 410 Cb -0.16 -0.09 1.71 0.00 -1.71 0.00 0.00 66.02 65.77 1dma s SER 410 CO 0.09 -0.00 2.04 0.74 1.20 0.00 0.00 173.24 177.30 1dma h THR 411 N 4.41 0.24 0.00 6.45 2.02 -1.95 0.15 112.91 124.23 1dma h THR 411 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1dma h THR 411 Cb 1.18 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1dma h THR 411 CO 0.42 0.00 -0.67 -2.11 0.37 0.00 0.00 175.52 173.53 1dma n ARG 412 N -3.40 0.03 0.00 6.66 1.85 -1.26 -4.60 116.66 115.94 1dma n ARG 412 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1dma n ARG 412 Cb 0.38 -1.51 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 1dma n ARG 412 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dma n GLY 413 N 1.49 2.92 3.67 2.89 0.00 0.52 -5.05 105.19 111.64 1dma n GLY 413 Ca 0.05 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 1dma n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dma s THR 414 N -2.00 4.92 -0.03 2.61 2.01 -1.26 -2.21 115.64 119.67 1dma s THR 414 Ca 0.00 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.25 1dma s THR 414 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 1dma s THR 414 CO 0.00 0.06 1.11 -1.10 -0.69 0.00 0.00 174.62 174.00 1dma s GLN 415 N 1.98 4.43 -0.10 4.92 -1.52 0.10 -3.68 119.66 125.80 1dma s GLN 415 Ca 0.37 1.57 0.00 0.00 -1.95 0.00 0.00 55.36 55.35 1dma s GLN 415 Cb -0.17 -3.49 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 1dma s GLN 415 CO 0.13 -0.29 0.00 0.09 -0.25 0.00 0.00 175.29 174.97 1dma n ASN 416 N 4.58 -3.13 -4.37 5.90 3.02 -1.26 -2.59 115.26 117.41 1dma n ASN 416 Ca 0.09 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 1dma n ASN 416 Cb 0.48 -0.71 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 1dma n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1dma s TRP 417 N -2.03 2.62 0.15 3.10 -0.11 -1.24 -4.83 118.94 116.61 1dma s TRP 417 Ca 0.00 -0.47 -0.07 0.00 1.22 0.00 0.00 56.10 56.78 1dma s TRP 417 Cb 0.00 -1.66 -0.02 0.00 -1.50 0.00 0.00 33.47 30.29 1dma s TRP 417 CO 0.00 -0.05 0.22 0.95 -4.62 0.00 0.00 176.95 173.45 1dma s THR 418 N -0.28 0.08 0.41 5.86 -4.23 -1.26 -4.94 115.64 111.28 1dma s THR 418 Ca 0.01 -1.51 0.13 0.00 -1.18 0.00 0.00 61.69 59.14 1dma s THR 418 Cb -0.13 -1.87 0.14 0.00 1.34 0.00 0.00 72.50 71.99 1dma s THR 418 CO 0.03 -0.36 1.92 0.58 -0.54 0.00 0.00 174.62 176.25 1dma h VAL 419 N 2.63 1.19 -0.40 2.29 2.07 -1.98 -0.13 116.25 121.92 1dma h VAL 419 Ca -0.33 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 1dma h VAL 419 Cb 1.22 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1dma h VAL 419 CO 0.51 0.26 -0.04 -0.33 0.02 0.00 0.00 177.57 177.99 1dma h GLU 420 N 0.04 0.66 -0.03 1.57 3.07 -2.00 -1.25 114.58 116.64 1dma h GLU 420 Ca 0.01 -0.17 -0.15 0.00 -0.50 0.00 0.00 59.36 58.54 1dma h GLU 420 Cb 0.45 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1dma h GLU 420 CO 0.03 0.70 -0.67 -0.09 -1.40 0.00 0.00 179.01 177.58 1dma h ARG 421 N 0.61 0.16 -0.22 2.33 2.43 -1.46 -2.89 114.38 115.35 1dma h ARG 421 Ca 0.12 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 1dma h ARG 421 Cb 0.45 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1dma h ARG 421 CO 0.02 0.77 -0.35 1.25 -1.51 0.00 0.00 179.97 180.15 1dma h LEU 422 N 0.11 0.48 -0.61 3.80 6.46 -0.69 -1.34 115.31 123.53 1dma h LEU 422 Ca -0.01 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 1dma h LEU 422 Cb 1.20 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1dma h LEU 422 CO 0.10 0.80 -0.00 -0.07 -0.62 0.00 0.00 178.44 178.65 1dma h LEU 423 N 0.40 1.05 0.06 2.25 4.07 -1.04 -1.00 115.31 121.10 1dma h LEU 423 Ca 0.04 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 1dma h LEU 423 Cb 0.80 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.26 1dma h LEU 423 CO 0.06 1.10 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.88 1dma h GLN 424 N 0.97 -0.08 -0.58 1.13 4.15 -1.32 -1.58 115.11 117.80 1dma h GLN 424 Ca 0.17 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.67 1dma h GLN 424 Cb 0.56 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.21 1dma h GLN 424 CO 0.03 0.23 0.25 0.00 -1.93 0.00 0.00 178.83 177.42 1dma h ALA 425 N 0.51 0.75 -0.28 3.38 0.00 -1.16 -0.96 119.26 121.50 1dma h ALA 425 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dma h ALA 425 Cb 0.35 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1dma h ALA 425 CO 0.01 -0.14 0.17 1.25 0.00 0.00 0.00 179.25 180.54 1dma h HIS 426 N 0.46 0.36 -0.48 0.00 -0.00 -1.13 -0.71 115.15 113.67 1dma h HIS 426 Ca 0.28 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1dma h HIS 426 Cb 0.29 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 1dma h HIS 426 CO -0.14 0.27 0.25 0.00 -0.00 0.00 0.00 177.93 178.31 1dma h ARG 427 N 0.35 0.67 -0.31 5.26 2.47 -0.97 -0.67 114.38 121.19 1dma h ARG 427 Ca 0.10 -0.09 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 1dma h ARG 427 Cb 0.01 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.18 1dma h ARG 427 CO -0.02 0.54 0.16 1.96 0.56 0.00 0.00 179.97 183.17 1dma h GLN 428 N 0.63 0.32 0.00 0.04 4.20 -0.99 0.15 115.11 119.46 1dma h GLN 428 Ca 0.17 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 1dma h GLN 428 Cb 0.07 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1dma h GLN 428 CO -0.02 0.21 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.00 1dma h LEU 429 N 0.33 0.00 -0.07 1.46 3.38 -0.81 -2.45 115.31 117.14 1dma h LEU 429 Ca 0.13 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1dma h LEU 429 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1dma h LEU 429 CO -0.08 0.27 -0.59 -0.08 0.09 0.00 0.00 178.44 178.05 1dma h GLU 430 N 0.00 0.53 -0.27 1.13 4.81 -0.75 0.18 114.58 120.20 1dma h GLU 430 Ca -0.00 -0.47 0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1dma h GLU 430 Cb 0.50 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1dma h GLU 430 CO 0.04 1.10 0.33 1.49 -0.73 0.00 0.00 179.01 181.24 1dma h GLU 431 N 0.12 0.00 -0.38 1.92 4.57 -0.25 0.42 114.58 120.99 1dma h GLU 431 Ca -0.05 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1dma h GLU 431 Cb 1.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 1dma h GLU 431 CO 0.12 0.00 0.03 0.54 -1.18 0.00 0.00 179.01 178.52 1dma n ARG 432 N -3.64 3.22 -0.55 1.92 5.12 -1.02 -4.97 116.66 116.74 1dma n ARG 432 Ca 0.04 -2.96 0.00 0.00 -1.93 0.00 0.00 57.85 53.00 1dma n ARG 432 Cb 0.47 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 1dma n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dma n GLY 433 N -0.36 0.70 3.87 -0.13 0.00 0.14 -5.04 105.19 104.37 1dma n GLY 433 Ca 0.26 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1dma n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dma s TYR 434 N -2.00 3.54 -0.01 1.61 1.51 0.03 -1.04 117.35 120.99 1dma s TYR 434 Ca 0.00 0.45 0.05 0.00 -1.01 0.00 0.00 57.07 56.56 1dma s TYR 434 Cb 0.00 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1dma s TYR 434 CO 0.00 0.69 -0.16 0.54 -1.11 0.00 0.00 175.55 175.50 1dma s VAL 435 N -1.10 1.29 0.00 0.71 0.11 0.86 -4.19 120.40 118.08 1dma s VAL 435 Ca 0.18 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.22 1dma s VAL 435 Cb -0.12 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 1dma s VAL 435 CO 0.08 0.35 1.01 0.12 -3.33 0.00 0.00 175.10 173.33 1dma s PHE 436 N -0.40 3.62 -0.05 1.54 5.36 -1.26 -0.85 117.98 125.94 1dma s PHE 436 Ca 0.06 1.64 0.07 0.00 -0.96 0.00 0.00 56.93 57.74 1dma s PHE 436 Cb -0.06 -3.16 0.10 0.00 -0.34 0.00 0.00 43.02 39.56 1dma s PHE 436 CO -0.01 -0.18 0.99 1.33 -1.46 0.00 0.00 175.22 175.89 1dma n VAL 437 N 3.94 1.06 0.00 3.12 0.24 -0.86 -4.50 118.33 121.33 1dma n VAL 437 Ca 0.07 -1.19 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 1dma n VAL 437 Cb 0.50 0.31 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 1dma n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dma n GLY 438 N -0.70 2.24 3.83 7.63 0.00 -1.25 -4.54 105.19 112.41 1dma n GLY 438 Ca 0.06 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 1dma n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dma s TYR 439 N -1.78 3.17 -0.03 1.61 2.02 0.26 -0.13 117.35 122.46 1dma s TYR 439 Ca 0.00 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1dma s TYR 439 Cb 0.00 -1.47 0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1dma s TYR 439 CO 0.00 0.52 0.04 -1.58 -1.57 0.00 0.00 175.55 172.96 1dma s HIS 440 N -1.94 0.10 -0.09 2.71 5.65 -0.28 0.49 115.29 121.93 1dma s HIS 440 Ca 0.32 0.17 -0.01 0.00 0.25 0.00 0.00 55.06 55.79 1dma s HIS 440 Cb -0.09 -0.39 -0.03 0.00 -1.18 0.00 0.00 32.58 30.89 1dma s HIS 440 CO 0.25 -0.15 -0.05 0.20 -0.65 0.00 0.00 174.74 174.34 1dma s GLY 441 N 1.64 1.73 0.31 1.59 0.00 -1.24 -1.08 107.32 110.28 1dma s GLY 441 Ca -0.02 -0.85 -0.07 0.00 0.00 0.00 0.00 44.72 43.78 1dma s GLY 441 CO -0.03 -0.50 0.53 -1.30 0.00 0.00 0.00 173.10 171.80 1dma n THR 442 N 2.53 0.00 -2.10 0.90 -2.24 -0.76 -4.24 114.28 108.37 1dma n THR 442 Ca -0.18 -1.17 -0.29 0.00 -2.27 0.00 0.00 64.05 60.13 1dma n THR 442 Cb 0.53 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.65 1dma n THR 442 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1dma s PHE 443 N -3.31 3.49 0.29 4.78 -0.71 -1.26 -0.50 117.98 120.76 1dma s PHE 443 Ca 0.19 1.05 0.04 0.00 -1.04 0.00 0.00 56.93 57.16 1dma s PHE 443 Cb -0.02 -2.72 0.72 0.00 -1.21 0.00 0.00 43.02 39.78 1dma s PHE 443 CO 0.14 -0.74 1.71 -0.07 -1.34 0.00 0.00 175.22 174.92 1dma h LEU 444 N -0.27 0.42 -0.19 -1.99 3.38 -1.90 -0.72 115.31 114.04 1dma h LEU 444 Ca -0.45 0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 1dma h LEU 444 Cb 1.22 0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1dma h LEU 444 CO 0.62 0.05 -0.37 -0.33 0.09 0.00 0.00 178.44 178.50 1dma h GLU 445 N 0.47 0.59 -0.52 1.13 3.07 -1.95 -1.56 114.58 115.80 1dma h GLU 445 Ca 0.56 -0.38 -0.09 0.00 -0.50 0.00 0.00 59.36 58.95 1dma h GLU 445 Cb 1.02 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 1dma h GLU 445 CO -0.49 0.99 -0.02 0.00 -1.40 0.00 0.00 179.01 178.09 1dma h ALA 446 N 0.59 0.70 -0.05 3.43 0.00 -1.79 -2.55 119.26 119.59 1dma h ALA 446 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1dma h ALA 446 Cb 0.97 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1dma h ALA 446 CO 0.08 0.54 -0.15 0.00 0.00 0.00 0.00 179.25 179.72 1dma h ALA 447 N 0.94 -0.14 -0.51 0.00 0.00 -1.05 -1.79 119.26 116.70 1dma h ALA 447 Ca 0.14 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1dma h ALA 447 Cb 0.56 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1dma h ALA 447 CO 0.03 -0.63 0.15 0.37 0.00 0.00 0.00 179.25 179.17 1dma h GLN 448 N -0.23 0.30 -0.00 0.00 5.75 -1.12 -1.69 115.11 118.11 1dma h GLN 448 Ca 0.07 -0.02 -0.18 0.00 -0.15 0.00 0.00 58.65 58.37 1dma h GLN 448 Cb 0.32 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1dma h GLN 448 CO -0.18 0.20 -0.82 0.66 -2.65 0.00 0.00 178.83 176.03 1dma h SER 449 N 0.31 0.13 -0.12 -0.69 4.64 -1.31 -1.98 113.55 114.52 1dma h SER 449 Ca 0.25 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1dma h SER 449 Cb 0.31 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1dma h SER 449 CO -0.29 0.90 -0.04 0.40 -0.87 0.00 0.00 176.83 176.93 1dma h ILE 450 N 0.06 1.30 -0.03 0.95 2.04 -1.09 0.27 117.51 121.00 1dma h ILE 450 Ca -0.03 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 1dma h ILE 450 Cb 1.44 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1dma h ILE 450 CO 0.12 0.29 -0.14 0.58 0.00 0.00 0.00 178.15 179.00 1dma h VAL 451 N -0.09 1.12 -1.41 1.67 2.07 -1.33 -1.04 116.25 117.24 1dma h VAL 451 Ca 0.03 -0.55 -0.50 0.00 0.82 0.00 0.00 66.70 66.50 1dma h VAL 451 Cb 0.47 1.25 -0.41 0.00 -1.52 0.00 0.00 31.29 31.08 1dma h VAL 451 CO 0.01 0.16 -0.91 0.49 0.02 0.00 0.00 177.57 177.34 1dma n PHE 452 N -4.35 2.52 0.00 1.57 3.72 -0.75 -4.67 117.46 115.49 1dma n PHE 452 Ca -0.02 -3.10 0.00 0.00 -0.05 0.00 0.00 57.45 54.28 1dma n PHE 452 Cb 0.22 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1dma n PHE 452 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dma n GLY 453 N -0.28 0.00 0.00 1.37 0.00 0.90 -4.84 105.19 102.34 1dma n GLY 453 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1dma n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 454 N -0.02 -1.55 3.55 -0.02 0.00 -0.40 -4.81 105.19 101.95 1dma n GLY 454 Ca 0.00 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 1dma n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dma s VAL 455 N -2.26 3.90 0.02 1.61 1.01 -1.26 -4.53 120.40 118.87 1dma s VAL 455 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1dma s VAL 455 Cb 0.00 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1dma s VAL 455 CO 0.00 -1.63 -0.02 -0.13 0.00 0.00 0.00 175.10 173.32 1dma s ARG 456 N 5.27 2.68 0.00 2.72 1.81 -1.26 -3.73 118.95 126.44 1dma s ARG 456 Ca 0.36 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 1dma s ARG 456 Cb -0.09 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.81 1dma s ARG 456 CO 0.18 0.60 0.00 0.00 -0.68 0.00 0.00 175.30 175.40 1dma n ALA 457 N 1.28 0.00 0.00 2.13 0.00 -1.26 -5.05 120.51 117.61 1dma n ALA 457 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1dma n ALA 457 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1dma n ALA 457 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dma n ALA 464 N -3.00 -0.90 -0.07 0.00 0.00 -1.26 -5.24 120.51 110.04 1dma n ALA 464 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1dma n ALA 464 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 1dma n ALA 464 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dma h ILE 465 N 0.00 0.75 -0.77 0.00 2.04 -2.02 -2.89 117.51 114.62 1dma h ILE 465 Ca 0.00 -0.01 -0.44 0.00 1.00 0.00 0.00 64.86 65.41 1dma h ILE 465 Cb 0.00 0.71 -0.23 0.00 -0.74 0.00 0.00 36.82 36.55 1dma h ILE 465 CO 0.00 0.01 0.56 0.79 0.00 0.00 0.00 178.15 179.51 1dma n TRP 466 N -5.21 2.41 -2.56 1.37 7.02 -1.26 -4.10 117.44 115.11 1dma n TRP 466 Ca -0.00 -1.88 -0.42 0.00 -1.02 0.00 0.00 57.50 54.18 1dma n TRP 466 Cb 0.16 -0.94 -0.03 0.00 -2.42 0.00 0.00 31.31 28.09 1dma n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1dma s ARG 467 N -2.67 4.40 0.05 -0.99 1.70 -1.09 -4.96 118.95 115.38 1dma s ARG 467 Ca 0.46 1.55 -0.14 0.00 -0.47 0.00 0.00 55.73 57.13 1dma s ARG 467 Cb 0.38 -3.53 0.05 0.00 -0.57 0.00 0.00 34.95 31.27 1dma s ARG 467 CO 0.05 -0.36 0.65 0.41 -1.08 0.00 0.00 175.30 174.98 1dma n GLY 468 N 3.22 0.68 3.47 3.88 0.00 -1.26 -4.40 105.19 110.77 1dma n GLY 468 Ca 0.10 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.76 1dma n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dma s PHE 469 N -3.22 3.02 -0.07 1.61 5.36 -0.25 -4.88 117.98 119.54 1dma s PHE 469 Ca 0.15 -0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 55.58 1dma s PHE 469 Cb -0.01 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.62 1dma s PHE 469 CO 0.02 -0.13 0.38 0.71 -1.46 0.00 0.00 175.22 174.73 1dma s TYR 470 N 0.62 3.62 0.32 10.12 1.51 -1.26 -0.74 117.35 131.54 1dma s TYR 470 Ca -0.02 0.85 0.03 0.00 -1.01 0.00 0.00 57.07 56.92 1dma s TYR 470 Cb -0.14 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1dma s TYR 470 CO 0.02 0.46 0.13 0.96 -1.11 0.00 0.00 175.55 176.02 1dma s ILE 471 N -0.38 0.52 -0.10 2.71 -4.36 -0.29 -4.82 121.20 114.49 1dma s ILE 471 Ca 0.22 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.54 1dma s ILE 471 Cb -0.15 -2.54 0.03 0.00 1.25 0.00 0.00 42.46 41.05 1dma s ILE 471 CO 0.10 0.00 0.24 0.00 0.24 0.00 0.00 174.94 175.52 1dma s ALA 472 N -3.51 -0.59 0.15 2.27 0.00 0.18 -2.13 121.76 118.13 1dma s ALA 472 Ca 0.34 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 1dma s ALA 472 Cb 0.05 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1dma s ALA 472 CO 0.16 -0.15 1.42 0.78 0.00 0.00 0.00 175.76 177.97 1dma h GLY 473 N 6.30 0.67 -6.87 0.00 0.00 -1.80 0.74 103.07 102.12 1dma h GLY 473 Ca -0.31 -0.88 -0.58 0.00 0.00 0.00 0.00 47.33 45.56 1dma h GLY 473 CO 0.36 0.78 0.73 -0.35 0.00 0.00 0.00 176.54 178.07 1dma s ASP 474 N -6.99 6.53 0.57 0.19 -1.08 -1.26 -4.70 116.67 109.92 1dma s ASP 474 Ca -0.08 0.20 0.30 0.00 -0.52 0.00 0.00 52.55 52.45 1dma s ASP 474 Cb 0.10 -2.49 1.46 0.00 -1.46 0.00 0.00 42.92 40.53 1dma s ASP 474 CO 0.86 -1.17 1.87 1.55 0.52 0.00 0.00 175.17 178.81 1dma h PRO 475 N 9.19 0.00 -0.70 4.34 0.13 -1.97 -0.74 132.00 142.25 1dma h PRO 475 Ca -0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 1dma h PRO 475 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 1dma h PRO 475 CO 1.08 0.00 0.34 0.00 -0.23 0.00 0.00 178.00 179.19 1dma h ALA 476 N 1.47 1.30 -0.05 -0.56 0.00 -1.96 0.27 119.26 119.72 1dma h ALA 476 Ca 0.32 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1dma h ALA 476 Cb 1.49 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dma h ALA 476 CO -0.00 0.55 -0.34 1.25 0.00 0.00 0.00 179.25 180.71 1dma h LEU 477 N 0.98 0.39 -1.29 0.00 5.85 -1.55 -3.30 115.31 116.39 1dma h LEU 477 Ca 0.24 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 1dma h LEU 477 Cb 0.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1dma h LEU 477 CO -0.03 1.00 -0.07 0.00 -0.34 0.00 0.00 178.44 179.00 1dma h ALA 478 N 0.40 1.42 0.00 1.25 0.00 -1.40 -2.52 119.26 118.41 1dma h ALA 478 Ca -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1dma h ALA 478 Cb 1.00 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1dma h ALA 478 CO 0.07 0.40 -0.01 -0.92 0.00 0.00 0.00 179.25 178.79 1dma h TYR 479 N 0.38 0.00 0.00 0.00 5.03 -0.54 -1.37 116.97 120.47 1dma h TYR 479 Ca 0.08 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1dma h TYR 479 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1dma h TYR 479 CO 0.01 0.01 0.00 0.41 -1.32 0.00 0.00 178.16 177.27 1dma n GLY 480 N -1.02 -1.37 0.41 1.82 0.00 -0.95 -2.72 105.19 101.35 1dma n GLY 480 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.02 1dma n GLY 480 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1dma n TYR 481 N -1.89 0.09 -1.57 1.61 4.02 -0.52 -4.74 117.16 114.16 1dma n TYR 481 Ca 0.04 -0.12 -0.35 0.00 -0.01 0.00 0.00 57.90 57.47 1dma n TYR 481 Cb 0.29 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 1dma n TYR 481 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dma n ALA 482 N 0.47 6.98 -3.58 -0.72 0.00 -1.10 -2.96 120.51 119.60 1dma n ALA 482 Ca 0.06 -3.48 -0.06 0.00 0.00 0.00 0.00 53.44 49.96 1dma n ALA 482 Cb 0.27 -2.85 -0.02 0.00 0.00 0.00 0.00 19.45 16.86 1dma n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1dma s GLN 483 N 0.18 0.76 0.18 0.00 -2.07 -1.25 -0.11 119.66 117.35 1dma s GLN 483 Ca 0.62 -0.33 -0.30 0.00 -1.82 0.00 0.00 55.36 53.52 1dma s GLN 483 Cb 0.23 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.38 1dma s GLN 483 CO -0.09 -0.34 1.37 -0.51 -1.32 0.00 0.00 175.29 174.40 1dma s ASP 484 N -2.56 6.81 0.00 12.60 1.01 -0.95 -4.35 116.67 129.25 1dma s ASP 484 Ca 0.08 2.44 0.22 0.00 0.71 0.00 0.00 52.55 56.00 1dma s ASP 484 Cb -0.01 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.19 1dma s ASP 484 CO -0.05 -0.61 0.90 0.00 0.21 0.00 0.00 175.17 175.62 1dma n GLN 485 N 3.02 0.15 -4.01 8.23 3.00 -1.26 -4.76 117.38 121.75 1dma n GLN 485 Ca 0.08 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.94 1dma n GLN 485 Cb 0.42 -1.52 -0.11 0.00 0.00 0.00 0.00 30.24 29.03 1dma n GLN 485 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1dma s GLU 486 N -3.12 0.39 0.74 -1.09 2.02 -1.26 -5.12 118.70 111.27 1dma s GLU 486 Ca 0.05 -0.70 -0.15 0.00 0.02 0.00 0.00 54.97 54.19 1dma s GLU 486 Cb 0.16 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.40 1dma s GLU 486 CO 0.85 -0.03 0.85 -2.30 0.02 0.00 0.00 175.26 174.65 1dma n PRO 487 N 1.44 0.37 0.00 0.39 -0.02 -1.26 -4.73 135.00 131.18 1dma n PRO 487 Ca -0.23 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 1dma n PRO 487 Cb 0.55 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1dma n PRO 487 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1dma n ASP 488 N -1.48 0.00 -0.27 2.55 5.68 -0.64 -4.86 116.55 117.54 1dma n ASP 488 Ca 0.12 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.42 1dma n ASP 488 Cb 0.50 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.62 1dma n ASP 488 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1dma h ALA 489 N -1.02 1.07 -0.33 2.12 0.00 -1.93 -1.99 119.26 117.17 1dma h ALA 489 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dma h ALA 489 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dma h ALA 489 CO 0.00 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.89 1dma n ARG 490 N -4.75 1.97 -1.47 0.00 5.12 -1.26 -4.94 116.66 111.33 1dma n ARG 490 Ca 0.11 -1.48 -0.03 0.00 -1.93 0.00 0.00 57.85 54.52 1dma n ARG 490 Cb 0.23 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 30.14 1dma n ARG 490 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dma n GLY 491 N 1.21 0.48 3.88 -0.13 0.00 -0.75 -5.05 105.19 104.82 1dma n GLY 491 Ca 0.16 -0.86 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1dma n GLY 491 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dma s ARG 492 N -3.01 3.20 -0.25 1.61 0.52 -1.26 -4.72 118.95 115.03 1dma s ARG 492 Ca 0.00 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.44 1dma s ARG 492 Cb 0.00 -2.81 0.10 0.00 0.52 0.00 0.00 34.95 32.76 1dma s ARG 492 CO 0.00 0.50 0.17 0.42 0.02 0.00 0.00 175.30 176.41 1dma s ILE 493 N -1.78 -0.19 0.21 1.52 1.01 -1.26 -1.61 121.20 119.10 1dma s ILE 493 Ca 0.33 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.57 1dma s ILE 493 Cb -0.10 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.49 1dma s ILE 493 CO 0.26 -0.47 -0.01 0.00 0.00 0.00 0.00 174.94 174.72 1dma s ARG 494 N 2.21 1.26 1.10 2.79 1.70 -1.26 -4.95 118.95 121.80 1dma s ARG 494 Ca 0.07 -1.62 -0.18 0.00 -0.47 0.00 0.00 55.73 53.53 1dma s ARG 494 Cb -0.16 -0.52 0.13 0.00 -0.57 0.00 0.00 34.95 33.83 1dma s ARG 494 CO -0.25 -0.10 0.06 0.27 -1.08 0.00 0.00 175.30 174.20 1dma n ASN 495 N -0.36 -2.66 0.00 -2.89 6.94 -1.26 -2.23 115.26 112.80 1dma n ASN 495 Ca -0.06 -0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.27 1dma n ASN 495 Cb 0.63 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 37.17 1dma n ASN 495 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dma n GLY 496 N 2.21 5.36 3.10 4.83 0.00 0.84 -4.34 105.19 117.20 1dma n GLY 496 Ca 0.02 -1.32 -0.08 0.00 0.00 0.00 0.00 46.02 44.64 1dma n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dma s ALA 497 N -2.00 0.24 -0.13 4.61 0.00 0.34 -4.62 121.76 120.21 1dma s ALA 497 Ca 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 1dma s ALA 497 Cb 0.00 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1dma s ALA 497 CO 0.00 -0.36 0.01 -0.51 0.00 0.00 0.00 175.76 174.90 1dma s LEU 498 N -2.63 3.58 0.18 0.00 1.43 -1.26 -1.82 118.68 118.15 1dma s LEU 498 Ca 0.02 0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 1dma s LEU 498 Cb 0.04 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1dma s LEU 498 CO -0.08 0.28 -0.14 -0.76 0.23 0.00 0.00 176.35 175.88 1dma s LEU 499 N -0.26 2.82 -0.21 1.79 2.01 -0.24 -1.95 118.68 122.64 1dma s LEU 499 Ca 0.06 -0.64 -0.08 0.00 0.01 0.00 0.00 54.13 53.48 1dma s LEU 499 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 1dma s LEU 499 CO 0.02 0.12 0.08 -0.13 1.01 0.00 0.00 176.35 177.45 1dma s ARG 500 N -2.72 3.89 -0.21 1.70 0.52 0.23 -1.13 118.95 121.24 1dma s ARG 500 Ca 0.23 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 1dma s ARG 500 Cb -0.09 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.03 1dma s ARG 500 CO 0.13 0.09 0.13 0.08 0.02 0.00 0.00 175.30 175.76 1dma s VAL 501 N 0.88 5.36 -0.02 3.52 1.01 0.82 -2.07 120.40 129.90 1dma s VAL 501 Ca 0.04 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.26 1dma s VAL 501 Cb -0.14 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1dma s VAL 501 CO 0.03 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.04 1dma s TYR 502 N 0.47 2.50 0.18 5.22 1.51 0.64 -2.02 117.35 125.84 1dma s TYR 502 Ca 0.08 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1dma s TYR 502 Cb -0.11 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.14 1dma s TYR 502 CO -0.01 0.08 -0.03 0.14 -1.11 0.00 0.00 175.55 174.63 1dma s VAL 503 N -0.69 0.87 0.43 0.71 -7.23 -0.03 -1.78 120.40 112.68 1dma s VAL 503 Ca 0.11 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.03 1dma s VAL 503 Cb -0.10 -2.09 -0.08 0.00 0.56 0.00 0.00 36.38 34.67 1dma s VAL 503 CO 0.00 -0.52 1.20 -2.84 -0.31 0.00 0.00 175.10 172.62 1dma s PRO 504 N -3.86 3.90 0.36 4.82 0.02 -1.26 -0.10 135.00 138.88 1dma s PRO 504 Ca 0.23 1.88 0.08 0.00 0.02 0.00 0.00 61.00 63.21 1dma s PRO 504 Cb 0.05 -2.57 0.80 0.00 0.02 0.00 0.00 34.50 32.79 1dma s PRO 504 CO 0.04 -0.46 1.90 -0.09 -0.33 0.00 0.00 177.00 178.05 1dma h ARG 505 N 2.38 0.69 0.00 5.54 2.43 -1.40 0.49 114.38 124.52 1dma h ARG 505 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1dma h ARG 505 Cb 1.24 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1dma h ARG 505 CO 0.61 0.45 0.00 -1.13 -1.51 0.00 0.00 179.97 178.40 1dma n SER 506 N -4.53 0.55 0.02 -3.80 3.41 -1.26 -1.27 113.62 106.74 1dma n SER 506 Ca 0.15 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.57 1dma n SER 506 Cb 0.39 -0.78 0.22 0.00 -0.26 0.00 0.00 64.21 63.78 1dma n SER 506 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1dma n SER 507 N -2.16 0.55 0.20 4.04 7.64 0.16 -4.24 113.62 119.81 1dma n SER 507 Ca 0.01 -0.10 0.18 0.00 1.01 0.00 0.00 58.87 59.97 1dma n SER 507 Cb 0.13 0.23 0.79 0.00 -1.01 0.00 0.00 64.21 64.35 1dma n SER 507 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1dma h LEU 508 N 0.00 0.00 0.00 -3.43 3.38 -1.26 -1.23 115.31 112.77 1dma h LEU 508 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dma h LEU 508 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dma h LEU 508 CO 0.00 0.00 0.00 -2.65 0.09 0.00 0.00 178.44 175.88 1dma n PRO 509 N -3.42 0.06 -0.50 1.13 -0.02 -1.26 -2.36 135.00 128.64 1dma n PRO 509 Ca 0.03 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1dma n PRO 509 Cb 0.49 -1.50 0.28 0.00 -0.02 0.00 0.00 33.50 32.76 1dma n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dma n GLY 510 N -0.15 3.32 3.38 -1.23 0.00 -0.47 -4.87 105.19 105.18 1dma n GLY 510 Ca 0.04 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1dma n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dma s PHE 511 N -2.22 3.19 0.50 1.61 0.40 -0.99 -0.66 117.98 119.81 1dma s PHE 511 Ca 0.42 -0.88 0.05 0.00 -0.60 0.00 0.00 56.93 55.92 1dma s PHE 511 Cb 0.31 -2.33 0.01 0.00 0.51 0.00 0.00 43.02 41.51 1dma s PHE 511 CO 0.15 -0.57 0.28 0.71 0.70 0.00 0.00 175.22 176.49 1dma s TYR 512 N 1.54 1.95 -0.11 0.36 2.02 -0.83 -1.46 117.35 120.81 1dma s TYR 512 Ca 0.03 -0.79 -0.07 0.00 -0.37 0.00 0.00 57.07 55.87 1dma s TYR 512 Cb -0.18 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.54 1dma s TYR 512 CO 0.05 -0.18 0.26 -0.98 -1.57 0.00 0.00 175.55 173.13 1dma s ARG 513 N -4.11 0.25 0.15 -0.62 1.70 0.73 -2.17 118.95 114.89 1dma s ARG 513 Ca 0.31 0.48 0.06 0.00 -0.47 0.00 0.00 55.73 56.11 1dma s ARG 513 Cb -0.00 -0.01 -0.04 0.00 -0.57 0.00 0.00 34.95 34.32 1dma s ARG 513 CO 0.18 -0.11 -0.13 -0.08 -1.08 0.00 0.00 175.30 174.08 1dma s THR 514 N 0.84 1.42 -2.70 4.99 -1.32 -0.84 -4.46 115.64 113.58 1dma s THR 514 Ca -0.06 -1.97 0.22 0.00 -1.21 0.00 0.00 61.69 58.67 1dma s THR 514 Cb -0.07 -1.78 0.16 0.00 -1.51 0.00 0.00 72.50 69.30 1dma s THR 514 CO -0.05 -0.56 1.19 -1.54 -2.21 0.00 0.00 174.62 171.44 1dma n SER 515 N 0.05 2.77 -4.83 8.08 3.41 -1.26 -4.25 113.62 117.59 1dma n SER 515 Ca -0.12 -1.89 -0.34 0.00 -0.26 0.00 0.00 58.87 56.27 1dma n SER 515 Cb 0.59 0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1dma n SER 515 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dma s LEU 516 N -1.88 4.17 0.21 1.04 1.43 -1.26 -4.76 118.68 117.63 1dma s LEU 516 Ca 0.25 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.46 1dma s LEU 516 Cb 0.18 -3.95 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 1dma s LEU 516 CO 0.30 -0.13 0.92 0.42 0.23 0.00 0.00 176.35 178.08 1dma s THR 517 N -1.82 4.18 -1.34 5.49 -4.23 -1.26 -4.11 115.64 112.55 1dma s THR 517 Ca 0.51 2.03 0.00 0.00 -1.18 0.00 0.00 61.69 63.05 1dma s THR 517 Cb -0.13 -4.30 0.00 0.00 1.34 0.00 0.00 72.50 69.41 1dma s THR 517 CO 0.19 0.48 0.69 0.18 -0.54 0.00 0.00 174.62 175.61 1dma n LEU 518 N 1.70 0.00 -0.00 4.79 7.99 -1.26 -0.72 117.00 129.50 1dma n LEU 518 Ca -0.02 0.22 -0.14 0.00 -0.01 0.00 0.00 56.01 56.05 1dma n LEU 518 Cb 0.48 -0.22 -0.14 0.00 -0.11 0.00 0.00 43.42 43.43 1dma n LEU 518 CO 0.50 -0.22 -0.60 0.00 -1.51 0.00 0.00 177.39 175.56 1dma h ALA 519 N 1.77 0.59 -1.28 -1.18 0.00 -1.94 -3.44 119.26 113.78 1dma h ALA 519 Ca 0.00 -1.39 -0.74 0.00 0.00 0.00 0.00 54.91 52.77 1dma h ALA 519 Cb 0.06 0.54 0.05 0.00 0.00 0.00 0.00 17.79 18.44 1dma h ALA 519 CO 0.00 1.43 0.20 0.00 0.00 0.00 0.00 179.25 180.88 1dma n ALA 520 N -2.73 -2.56 -0.32 0.00 0.00 0.10 -4.81 120.51 110.19 1dma n ALA 520 Ca -0.22 0.56 0.26 0.00 0.00 0.00 0.00 53.44 54.04 1dma n ALA 520 Cb 1.05 -1.88 0.49 0.00 0.00 0.00 0.00 19.45 19.11 1dma n ALA 520 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1dma n PRO 521 N 1.88 -0.06 -0.12 0.00 -0.04 -1.26 0.60 135.00 135.98 1dma n PRO 521 Ca 0.19 1.39 0.10 0.00 -0.04 0.00 0.00 63.50 65.14 1dma n PRO 521 Cb 0.13 -2.41 0.30 0.00 -0.04 0.00 0.00 33.50 31.49 1dma n PRO 521 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1dma n GLU 522 N -5.29 1.86 0.21 0.54 0.00 -1.26 -4.37 120.64 112.32 1dma n GLU 522 Ca 0.33 -1.31 -0.15 0.00 0.00 0.00 0.00 57.16 56.03 1dma n GLU 522 Cb 1.11 -1.38 -0.07 0.00 0.00 0.00 0.00 31.44 31.10 1dma n GLU 522 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1dma h ALA 523 N 4.01 -0.55 -0.91 -1.84 0.00 -0.11 -2.73 119.26 117.14 1dma h ALA 523 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1dma h ALA 523 Cb 0.55 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 18.52 1dma h ALA 523 CO 0.00 -0.83 -0.49 0.00 0.00 0.00 0.00 179.25 177.93 1dma h ALA 524 N 0.06 -0.27 -0.04 0.00 0.00 -1.77 0.73 119.26 117.98 1dma h ALA 524 Ca -0.03 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1dma h ALA 524 Cb 0.48 1.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1dma h ALA 524 CO 0.01 -0.82 -0.47 0.78 0.00 0.00 0.00 179.25 178.74 1dma h GLY 525 N -0.05 0.11 1.07 0.00 0.00 -1.87 0.19 103.07 102.51 1dma h GLY 525 Ca 0.23 -0.11 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1dma h GLY 525 CO -0.90 0.10 -0.33 -2.09 0.00 0.00 0.00 176.54 173.31 1dma h GLU 526 N 0.08 0.86 -0.10 4.80 4.57 -0.43 -1.17 114.58 123.19 1dma h GLU 526 Ca 0.00 -0.44 -0.13 0.00 -1.18 0.00 0.00 59.36 57.61 1dma h GLU 526 Cb 0.87 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.45 1dma h GLU 526 CO 0.07 1.09 -0.50 0.28 -1.18 0.00 0.00 179.01 178.76 1dma h VAL 527 N 0.66 1.34 0.00 0.32 2.07 0.65 -2.48 116.25 118.81 1dma h VAL 527 Ca 0.06 -1.74 -0.11 0.00 0.82 0.00 0.00 66.70 65.74 1dma h VAL 527 Cb 0.91 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1dma h VAL 527 CO 0.08 0.52 -0.51 -0.33 0.02 0.00 0.00 177.57 177.35 1dma h GLU 528 N 0.21 0.00 -0.37 1.57 5.08 -0.52 -1.52 114.58 119.04 1dma h GLU 528 Ca 0.01 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 1dma h GLU 528 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 1dma h GLU 528 CO 0.08 0.51 -0.26 -0.09 -1.00 0.00 0.00 179.01 178.25 1dma h ARG 529 N 0.00 0.76 0.00 2.33 2.43 -0.78 0.24 114.38 119.36 1dma h ARG 529 Ca -0.01 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1dma h ARG 529 Cb 1.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1dma h ARG 529 CO 0.07 0.94 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.27 1dma h LEU 530 N 0.66 0.00 -0.94 3.80 3.38 -1.41 -3.35 115.31 117.45 1dma h LEU 530 Ca 0.08 -0.72 0.14 0.00 0.09 0.00 0.00 57.88 57.47 1dma h LEU 530 Cb 0.78 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.44 1dma h LEU 530 CO 0.06 0.93 0.55 0.40 0.09 0.00 0.00 178.44 180.48 1dma h ILE 531 N -1.00 0.81 0.00 1.22 5.03 -1.32 -3.29 117.51 118.96 1dma h ILE 531 Ca -0.03 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1dma h ILE 531 Cb 0.81 -0.07 0.00 0.00 -3.03 0.00 0.00 36.82 34.53 1dma h ILE 531 CO -0.02 0.15 0.00 0.61 -0.68 0.00 0.00 178.15 178.21 1dma n GLY 532 N -1.33 0.69 3.50 5.37 0.00 0.82 -4.90 105.19 109.34 1dma n GLY 532 Ca 0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1dma n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1dma s HIS 533 N -2.00 -0.45 0.76 1.61 -3.43 -1.15 -5.04 115.29 105.58 1dma s HIS 533 Ca 0.00 0.49 -0.13 0.00 -0.80 0.00 0.00 55.06 54.61 1dma s HIS 533 Cb 0.00 0.50 0.05 0.00 -1.43 0.00 0.00 32.58 31.71 1dma s HIS 533 CO 0.00 -0.58 1.16 -1.25 -2.00 0.00 0.00 174.74 172.07 1dma s PRO 534 N -2.52 2.06 0.71 -0.38 0.04 -1.26 -4.65 135.00 129.00 1dma s PRO 534 Ca -0.00 1.58 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1dma s PRO 534 Cb -0.01 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1dma s PRO 534 CO -0.04 -1.86 1.11 -0.51 0.04 0.00 0.00 177.00 175.74 1dma s LEU 535 N -5.48 3.24 0.76 -3.56 1.43 -1.26 -4.78 118.68 109.04 1dma s LEU 535 Ca 0.70 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.66 1dma s LEU 535 Cb -0.25 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.48 1dma s LEU 535 CO 0.48 -1.88 1.11 -2.84 0.23 0.00 0.00 176.35 173.46 1dma s PRO 536 N -4.37 2.19 0.36 1.29 0.02 -1.26 -4.92 135.00 128.31 1dma s PRO 536 Ca 0.66 1.32 -0.28 0.00 0.02 0.00 0.00 61.00 62.71 1dma s PRO 536 Cb -0.20 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.33 1dma s PRO 536 CO 0.47 -1.71 1.47 -0.51 -0.33 0.00 0.00 177.00 176.39 1dma s LEU 537 N -5.72 4.34 0.00 -5.54 1.43 -1.26 -4.97 118.68 106.96 1dma s LEU 537 Ca 0.64 2.97 0.00 0.00 -1.03 0.00 0.00 54.13 56.71 1dma s LEU 537 Cb -0.20 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1dma s LEU 537 CO 0.52 -0.82 0.00 0.54 0.23 0.00 0.00 176.35 176.82 1dma n ARG 538 N 0.73 0.00 -1.38 1.70 1.74 -1.26 -4.32 116.66 113.87 1dma n ARG 538 Ca 0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 1dma n ARG 538 Cb 0.39 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.87 1dma n ARG 538 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1dma n LEU 539 N 0.00 7.11 0.00 0.55 4.77 -1.26 -3.39 117.00 124.78 1dma n LEU 539 Ca 0.00 -4.12 -0.20 0.00 -0.03 0.00 0.00 56.01 51.67 1dma n LEU 539 Cb 0.00 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 1dma n LEU 539 CO 0.00 1.53 -0.09 0.47 -1.33 0.00 0.00 177.39 177.97 1dma n ASP 540 N -0.15 2.64 -3.55 -1.43 8.00 -1.26 -4.69 116.55 116.12 1dma n ASP 540 Ca 0.50 -2.36 -0.15 0.00 0.71 0.00 0.00 54.79 53.49 1dma n ASP 540 Cb 0.52 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.71 1dma n ASP 540 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dma s ALA 541 N -2.54 -1.83 -0.03 2.24 0.00 0.17 -1.97 121.76 117.79 1dma s ALA 541 Ca 0.07 1.46 -0.00 0.00 0.00 0.00 0.00 51.96 53.48 1dma s ALA 541 Cb -0.01 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.81 1dma s ALA 541 CO 0.04 -0.34 0.02 -1.50 0.00 0.00 0.00 175.76 173.98 1dma s ILE 542 N -1.06 0.07 -0.18 0.00 -1.16 -0.84 -1.97 121.20 116.07 1dma s ILE 542 Ca -0.07 0.18 -0.04 0.00 -0.51 0.00 0.00 60.65 60.22 1dma s ILE 542 Cb -0.01 -0.22 -0.02 0.00 0.61 0.00 0.00 42.46 42.83 1dma s ILE 542 CO 0.06 0.14 -0.04 -0.89 -2.81 0.00 0.00 174.94 171.40 1dma s THR 543 N 1.30 3.61 0.27 4.00 2.01 -0.92 -1.31 115.64 124.60 1dma s THR 543 Ca -0.06 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.42 1dma s THR 543 Cb -0.13 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.77 1dma s THR 543 CO -0.03 0.46 0.45 -0.83 -0.69 0.00 0.00 174.62 173.98 1dma s GLY 544 N 0.89 0.91 0.52 4.40 0.00 -0.34 -1.98 107.32 111.73 1dma s GLY 544 Ca -0.01 -1.16 -0.21 0.00 0.00 0.00 0.00 44.72 43.35 1dma s GLY 544 CO 0.01 -0.82 1.17 2.56 0.00 0.00 0.00 173.10 176.02 1dma s PRO 545 N -3.70 3.43 0.27 2.90 0.04 -1.26 -1.29 135.00 135.39 1dma s PRO 545 Ca 0.27 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 1dma s PRO 545 Cb 0.00 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1dma s PRO 545 CO 0.13 -0.82 1.10 -1.83 0.04 0.00 0.00 177.00 175.62 1dma s GLU 546 N -3.06 4.64 0.67 4.56 -1.05 0.60 -4.47 118.70 120.58 1dma s GLU 546 Ca 0.70 1.79 -0.16 0.00 -0.15 0.00 0.00 54.97 57.16 1dma s GLU 546 Cb -0.27 -3.20 0.01 0.00 -0.44 0.00 0.00 34.13 30.22 1dma s GLU 546 CO 0.32 0.20 1.15 -2.00 0.95 0.00 0.00 175.26 175.87 1dma s GLU 547 N -1.31 2.62 0.00 -4.83 2.12 -1.26 -2.43 118.70 113.61 1dma s GLU 547 Ca 0.45 1.56 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1dma s GLU 547 Cb -0.32 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.16 1dma s GLU 547 CO 0.40 -1.42 0.00 0.39 -0.54 0.00 0.00 175.26 174.09 1dma n GLU 548 N -2.39 0.00 0.01 4.30 1.02 -1.26 -4.64 120.64 117.68 1dma n GLU 548 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1dma n GLU 548 Cb 0.51 -3.75 0.00 0.00 -0.02 0.00 0.00 31.44 28.18 1dma n GLU 548 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dma n GLY 549 N -2.00 -0.02 0.00 0.62 0.00 -1.12 -5.04 105.19 97.64 1dma n GLY 549 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dma n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 550 N 2.14 1.26 3.90 -0.02 0.00 -1.02 -4.99 105.19 106.47 1dma n GLY 550 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1dma n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dma s ARG 551 N -0.38 3.65 -0.10 1.61 0.52 -1.26 -4.63 118.95 118.36 1dma s ARG 551 Ca 0.00 0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 55.13 1dma s ARG 551 Cb 0.00 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1dma s ARG 551 CO 0.00 0.12 0.53 -0.51 0.02 0.00 0.00 175.30 175.46 1dma s LEU 552 N -3.76 4.29 -0.02 2.53 1.43 -1.26 0.22 118.68 122.12 1dma s LEU 552 Ca 0.46 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 1dma s LEU 552 Cb -0.10 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1dma s LEU 552 CO 0.32 -0.02 -0.26 -1.83 0.23 0.00 0.00 176.35 174.79 1dma s GLU 553 N 0.60 2.10 -0.06 1.70 -1.05 -0.41 -4.36 118.70 117.23 1dma s GLU 553 Ca 0.29 -0.94 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1dma s GLU 553 Cb -0.16 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.46 1dma s GLU 553 CO 0.12 0.56 -0.10 0.99 0.95 0.00 0.00 175.26 177.78 1dma s THR 554 N -0.63 3.45 -0.18 1.83 2.01 -0.91 -1.20 115.64 120.02 1dma s THR 554 Ca 0.10 -0.58 0.01 0.00 0.31 0.00 0.00 61.69 61.53 1dma s THR 554 Cb -0.10 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1dma s THR 554 CO -0.01 0.59 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.70 1dma s ILE 555 N -0.79 1.94 0.20 1.82 1.01 -0.42 -1.14 121.20 123.82 1dma s ILE 555 Ca 0.12 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 1dma s ILE 555 Cb -0.11 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.50 1dma s ILE 555 CO 0.01 0.47 0.57 -0.76 0.00 0.00 0.00 174.94 175.23 1dma s LEU 556 N 1.33 4.25 0.32 2.97 1.43 0.08 -1.98 118.68 127.08 1dma s LEU 556 Ca 0.04 1.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.91 1dma s LEU 556 Cb -0.14 -3.51 -0.09 0.00 0.03 0.00 0.00 46.19 42.49 1dma s LEU 556 CO -0.12 0.01 1.06 -0.83 0.23 0.00 0.00 176.35 176.70 1dma s GLY 557 N -2.01 2.94 0.32 -3.19 0.00 -0.83 -1.09 107.32 103.46 1dma s GLY 557 Ca 0.43 0.78 0.09 0.00 0.00 0.00 0.00 44.72 46.03 1dma s GLY 557 CO 0.20 1.31 1.70 1.49 0.00 0.00 0.00 173.10 177.80 1dma h TRP 558 N 3.35 0.90 -0.97 1.90 4.06 -1.76 0.14 115.95 123.56 1dma h TRP 558 Ca -0.47 0.04 0.06 0.00 2.06 0.00 0.00 58.89 60.58 1dma h TRP 558 Cb 1.21 -0.24 -0.06 0.00 -1.00 0.00 0.00 29.16 29.07 1dma h TRP 558 CO 0.59 -0.03 0.63 -1.35 -3.56 0.00 0.00 178.44 174.71 1dma h PRO 559 N 0.46 1.12 -0.01 0.49 0.11 -1.84 -0.58 132.00 131.75 1dma h PRO 559 Ca 0.65 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.67 1dma h PRO 559 Cb 1.31 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1dma h PRO 559 CO -0.53 0.74 -0.06 1.25 -0.21 0.00 0.00 178.00 179.19 1dma h LEU 560 N 1.15 0.08 -0.13 2.35 6.46 -0.82 -3.33 115.31 121.07 1dma h LEU 560 Ca 0.41 -0.65 0.04 0.00 -0.12 0.00 0.00 57.88 57.57 1dma h LEU 560 Cb 0.13 -0.02 -0.05 0.00 -0.73 0.00 0.00 40.66 39.99 1dma h LEU 560 CO -0.16 0.72 -0.19 0.00 -0.62 0.00 0.00 178.44 178.18 1dma h ALA 561 N 0.36 -0.14 0.00 1.25 0.00 -0.78 -0.17 119.26 119.79 1dma h ALA 561 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dma h ALA 561 Cb 0.72 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1dma h ALA 561 CO 0.01 -0.65 0.14 0.39 0.00 0.00 0.00 179.25 179.14 1dma n GLU 562 N -5.33 0.07 -0.72 0.00 1.02 -0.25 -0.88 120.64 114.54 1dma n GLU 562 Ca -0.03 0.53 -0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1dma n GLU 562 Cb 0.25 -1.88 0.25 0.00 -0.02 0.00 0.00 31.44 30.03 1dma n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1dma n ARG 563 N -1.89 2.74 -2.70 3.49 1.74 -0.08 -4.72 116.66 115.24 1dma n ARG 563 Ca -0.01 -3.01 -0.22 0.00 -0.77 0.00 0.00 57.85 53.84 1dma n ARG 563 Cb 0.16 -1.94 0.07 0.00 -1.02 0.00 0.00 32.46 29.73 1dma n ARG 563 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1dma s THR 564 N -3.02 2.36 -0.18 0.55 -4.23 -0.06 -4.82 115.64 106.25 1dma s THR 564 Ca 0.47 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.26 1dma s THR 564 Cb 0.39 -2.66 0.05 0.00 1.34 0.00 0.00 72.50 71.62 1dma s THR 564 CO 0.07 0.00 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.42 1dma s VAL 565 N -2.89 1.08 -0.17 2.29 1.01 -0.73 -4.94 120.40 116.05 1dma s VAL 565 Ca 0.62 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1dma s VAL 565 Cb -0.07 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 1dma s VAL 565 CO 0.41 0.04 -0.06 -0.69 0.00 0.00 0.00 175.10 174.80 1dma s VAL 566 N 1.63 3.55 0.29 2.92 1.01 -1.26 -0.26 120.40 128.27 1dma s VAL 566 Ca -0.01 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.57 1dma s VAL 566 Cb -0.16 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1dma s VAL 566 CO -0.07 0.48 -0.06 0.27 0.00 0.00 0.00 175.10 175.71 1dma s ILE 567 N 0.71 1.69 0.57 2.22 -4.36 -0.88 -4.76 121.20 116.40 1dma s ILE 567 Ca -0.03 -2.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.04 1dma s ILE 567 Cb -0.15 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.03 1dma s ILE 567 CO 0.02 -0.28 1.18 -2.84 0.24 0.00 0.00 174.94 173.27 1dma s PRO 568 N -3.72 3.12 0.40 0.37 0.02 -1.26 -0.60 135.00 133.33 1dma s PRO 568 Ca 0.30 1.76 -0.02 0.00 0.02 0.00 0.00 61.00 63.07 1dma s PRO 568 Cb 0.04 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.55 1dma s PRO 568 CO 0.13 -1.07 0.64 0.45 -0.33 0.00 0.00 177.00 176.82 1dma s SER 569 N -1.63 6.27 0.00 2.53 0.15 -0.82 -4.59 113.70 115.60 1dma s SER 569 Ca 0.76 0.63 0.26 0.00 0.70 0.00 0.00 55.95 58.29 1dma s SER 569 Cb -0.28 -2.11 0.54 0.00 -1.71 0.00 0.00 66.02 62.46 1dma s SER 569 CO 0.31 -0.42 1.45 0.00 1.20 0.00 0.00 173.24 175.78 1dma n ALA 570 N -1.98 2.72 -2.64 5.45 0.00 -1.26 -4.86 120.51 117.95 1dma n ALA 570 Ca -0.03 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.42 1dma n ALA 570 Cb 0.56 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 1dma n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dma s ILE 571 N -2.12 4.51 0.33 0.00 1.01 -1.26 -4.75 121.20 118.91 1dma s ILE 571 Ca 0.30 1.71 -0.18 0.00 0.00 0.00 0.00 60.65 62.48 1dma s ILE 571 Cb 0.20 -4.41 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 1dma s ILE 571 CO 0.37 -0.49 0.79 -2.16 0.00 0.00 0.00 174.94 173.46 1dma s PRO 572 N 3.66 4.12 0.13 2.79 0.04 -1.26 -4.67 135.00 139.80 1dma s PRO 572 Ca 0.45 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1dma s PRO 572 Cb -0.12 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.90 1dma s PRO 572 CO 0.16 0.16 0.36 0.95 0.04 0.00 0.00 177.00 178.66 1dma s THR 573 N -1.94 5.19 -0.27 1.26 -4.23 -1.26 -5.03 115.64 109.36 1dma s THR 573 Ca 0.54 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1dma s THR 573 Cb -0.11 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.07 1dma s THR 573 CO 0.17 0.06 0.40 -0.62 -0.54 0.00 0.00 174.62 174.09 1dma s ASP 574 N -2.41 6.29 0.43 3.99 -1.08 -1.26 -4.93 116.67 117.71 1dma s ASP 574 Ca 0.40 0.34 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 1dma s ASP 574 Cb -0.12 -2.22 0.57 0.00 -1.46 0.00 0.00 42.92 39.68 1dma s ASP 574 CO 0.25 -0.20 1.68 1.55 0.52 0.00 0.00 175.17 178.97 1dma h PRO 575 N 8.12 0.00 -0.27 4.34 0.13 -1.97 -2.67 132.00 139.67 1dma h PRO 575 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1dma h PRO 575 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dma h PRO 575 CO 0.66 0.12 0.00 0.54 -0.23 0.00 0.00 178.00 179.09 1dma n ARG 576 N -3.16 1.87 -2.85 0.86 1.74 -1.26 -4.42 116.66 109.44 1dma n ARG 576 Ca 0.02 -1.33 -0.11 0.00 -0.77 0.00 0.00 57.85 55.67 1dma n ARG 576 Cb 0.51 -1.37 0.06 0.00 -1.02 0.00 0.00 32.46 30.63 1dma n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1dma n ASN 577 N 0.55 -1.19 -4.66 0.55 4.05 -1.01 -5.11 115.26 108.44 1dma n ASN 577 Ca 0.15 -3.32 -0.42 0.00 0.45 0.00 0.00 54.58 51.44 1dma n ASN 577 Cb 0.36 0.98 -0.03 0.00 1.23 0.00 0.00 39.78 42.32 1dma n ASN 577 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1dma s VAL 578 N -0.69 3.73 0.00 3.44 1.01 -1.21 -1.55 120.40 125.13 1dma s VAL 578 Ca 0.27 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1dma s VAL 578 Cb 0.33 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1dma s VAL 578 CO -0.06 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1dma n GLY 579 N 4.03 0.68 3.57 4.51 0.00 -1.26 -5.08 105.19 111.64 1dma n GLY 579 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1dma n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dma s GLY 580 N -2.05 1.60 0.48 -0.02 0.00 -0.59 -5.02 107.32 101.72 1dma s GLY 580 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.82 1dma s GLY 580 CO 0.00 0.75 0.79 0.99 0.00 0.00 0.00 173.10 175.63 1dma s ASP 581 N -2.60 6.28 -0.30 1.64 1.01 -1.26 -4.87 116.67 116.56 1dma s ASP 581 Ca 0.68 0.95 -0.29 0.00 0.71 0.00 0.00 52.55 54.60 1dma s ASP 581 Cb -0.24 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.45 1dma s ASP 581 CO 0.62 -0.57 1.09 -0.22 0.21 0.00 0.00 175.17 176.30 1dma s LEU 582 N -4.69 3.96 -0.15 1.23 2.96 -1.26 -4.98 118.68 115.75 1dma s LEU 582 Ca 0.48 1.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.21 1dma s LEU 582 Cb -0.10 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1dma s LEU 582 CO 0.44 -0.86 1.59 -0.62 -1.32 0.00 0.00 176.35 175.58 1dma s ASP 583 N 1.67 6.56 0.36 3.68 2.15 -1.26 -4.87 116.67 124.96 1dma s ASP 583 Ca 0.46 1.87 0.03 0.00 0.43 0.00 0.00 52.55 55.34 1dma s ASP 583 Cb -0.13 -2.53 0.66 0.00 -0.30 0.00 0.00 42.92 40.62 1dma s ASP 583 CO 0.15 -1.07 2.01 -0.65 -0.17 0.00 0.00 175.17 175.44 1dma h PRO 584 N 9.96 0.81 0.00 4.34 0.11 -2.00 -0.42 132.00 144.80 1dma h PRO 584 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1dma h PRO 584 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1dma h PRO 584 CO 0.98 0.53 0.03 0.77 -0.21 0.00 0.00 178.00 180.10 1dma h SER 585 N 0.83 0.00 -0.05 -2.05 0.02 -2.04 -2.13 113.55 108.13 1dma h SER 585 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1dma h SER 585 Cb -0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1dma h SER 585 CO -0.06 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.09 1dma n SER 586 N -2.92 0.29 -4.68 3.07 3.41 -0.17 -4.77 113.62 107.85 1dma n SER 586 Ca -0.03 -1.90 -0.37 0.00 -0.26 0.00 0.00 58.87 56.32 1dma n SER 586 Cb 0.09 -0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 1dma n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1dma s ILE 587 N -1.93 5.31 0.13 -1.33 1.01 -0.80 -4.40 121.20 119.18 1dma s ILE 587 Ca 0.09 0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 1dma s ILE 587 Cb 0.04 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.83 1dma s ILE 587 CO 0.06 0.34 1.57 -2.84 0.00 0.00 0.00 174.94 174.07 1dma s PRO 588 N 0.94 4.22 0.35 2.79 0.02 -1.26 -4.83 135.00 137.23 1dma s PRO 588 Ca 0.13 2.31 0.14 0.00 0.02 0.00 0.00 61.00 63.60 1dma s PRO 588 Cb -0.13 -3.31 1.04 0.00 0.02 0.00 0.00 34.50 32.12 1dma s PRO 588 CO 0.05 -0.62 1.70 -0.44 -0.33 0.00 0.00 177.00 177.35 1dma h ASP 589 N 7.28 0.55 0.68 2.53 3.32 -1.96 1.03 116.42 129.84 1dma h ASP 589 Ca -0.42 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 1dma h ASP 589 Cb 1.20 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1dma h ASP 589 CO 0.91 -0.01 -0.17 0.11 -1.72 0.00 0.00 179.24 178.36 1dma h LYS 590 N 0.42 0.00 0.18 3.56 1.57 -1.98 0.23 116.57 120.55 1dma h LYS 590 Ca 0.68 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 59.12 1dma h LYS 590 Cb 1.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.86 1dma h LYS 590 CO -0.49 0.17 -1.71 1.49 -0.57 0.00 0.00 179.45 178.34 1dma h GLU 591 N 0.00 0.39 -0.69 3.15 4.81 0.59 -3.28 114.58 119.55 1dma h GLU 591 Ca -0.00 -0.67 0.07 0.00 -0.13 0.00 0.00 59.36 58.63 1dma h GLU 591 Cb 0.55 0.25 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 1dma h GLU 591 CO 0.02 1.32 0.38 0.37 -0.73 0.00 0.00 179.01 180.37 1dma h GLN 592 N 0.07 0.66 -0.10 1.92 5.75 -0.37 -2.16 115.11 120.88 1dma h GLN 592 Ca -0.34 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.15 1dma h GLN 592 Cb 2.07 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 30.47 1dma h GLN 592 CO 0.17 0.44 0.11 0.00 -2.65 0.00 0.00 178.83 176.90 1dma h ALA 593 N 1.37 1.71 -0.36 3.38 0.00 -0.66 -2.43 119.26 122.26 1dma h ALA 593 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1dma h ALA 593 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1dma h ALA 593 CO -0.20 -0.16 0.00 1.51 0.00 0.00 0.00 179.25 180.40 1dma n ILE 594 N -3.87 1.59 -1.30 0.00 0.13 -0.82 -4.67 119.36 110.42 1dma n ILE 594 Ca -0.01 -1.35 0.01 0.00 -1.10 0.00 0.00 62.75 60.30 1dma n ILE 594 Cb 0.21 0.17 0.21 0.00 -0.84 0.00 0.00 39.64 39.39 1dma n ILE 594 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1dma n SER 595 N 0.23 2.81 -4.76 9.51 7.64 -0.92 -4.96 113.62 123.18 1dma n SER 595 Ca 0.17 -3.52 -0.32 0.00 1.01 0.00 0.00 58.87 56.21 1dma n SER 595 Cb 0.67 -0.59 0.08 0.00 -1.01 0.00 0.00 64.21 63.35 1dma n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dma s ALA 596 N -3.11 2.29 0.31 -0.43 0.00 -1.26 -5.02 121.76 114.55 1dma s ALA 596 Ca 0.43 0.45 0.09 0.00 0.00 0.00 0.00 51.96 52.93 1dma s ALA 596 Cb 0.38 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.13 1dma s ALA 596 CO 0.02 -1.63 0.03 -0.51 0.00 0.00 0.00 175.76 173.68 1dma s LEU 597 N -5.45 3.11 0.69 0.00 1.02 -1.26 -4.86 118.68 111.93 1dma s LEU 597 Ca 0.65 -0.82 -0.11 0.00 0.02 0.00 0.00 54.13 53.87 1dma s LEU 597 Cb -0.20 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1dma s LEU 597 CO 0.49 -0.16 1.08 -2.84 0.02 0.00 0.00 176.35 174.94 1dma s PRO 598 N -3.73 2.96 -0.32 1.29 0.02 -1.26 -5.01 135.00 128.95 1dma s PRO 598 Ca 0.34 0.56 -0.22 0.00 0.02 0.00 0.00 61.00 61.70 1dma s PRO 598 Cb -0.03 -2.02 -0.00 0.00 0.02 0.00 0.00 34.50 32.47 1dma s PRO 598 CO 0.20 -0.98 0.74 0.34 -0.33 0.00 0.00 177.00 176.97 1dma s ASP 599 N -4.26 6.59 0.37 2.53 -1.08 -1.26 -5.06 116.67 114.51 1dma s ASP 599 Ca 0.58 0.52 -0.09 0.00 -0.52 0.00 0.00 52.55 53.04 1dma s ASP 599 Cb -0.11 -2.38 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 1dma s ASP 599 CO 0.53 -0.60 0.71 -0.31 0.52 0.00 0.00 175.17 176.02 1dma s TYR 600 N 2.88 3.47 0.14 -5.34 2.02 -1.26 -5.06 117.35 114.19 1dma s TYR 600 Ca 0.30 0.94 -0.28 0.00 -0.37 0.00 0.00 57.07 57.67 1dma s TYR 600 Cb -0.14 -2.36 -0.07 0.00 -0.40 0.00 0.00 41.96 38.99 1dma s TYR 600 CO 0.13 -0.03 0.87 0.00 -1.57 0.00 0.00 175.55 174.95 1dma s ALA 601 N -2.29 3.34 -1.06 3.71 0.00 -0.54 -4.73 121.76 120.20 1dma s ALA 601 Ca 0.49 0.47 0.16 0.00 0.00 0.00 0.00 51.96 53.08 1dma s ALA 601 Cb -0.10 -3.12 -0.11 0.00 0.00 0.00 0.00 23.12 19.79 1dma s ALA 601 CO 0.31 0.13 0.76 -1.13 0.00 0.00 0.00 175.76 175.82 1dma n SER 602 N 2.21 1.11 -4.60 0.00 3.41 -1.26 -0.19 113.62 114.30 1dma n SER 602 Ca -0.02 -1.06 -0.27 0.00 -0.26 0.00 0.00 58.87 57.27 1dma n SER 602 Cb 0.49 0.79 -0.09 0.00 -0.26 0.00 0.00 64.21 65.14 1dma n SER 602 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dma s GLN 603 N -2.28 2.17 1.03 4.33 1.03 -1.26 -4.82 119.66 119.85 1dma s GLN 603 Ca 0.09 -1.23 -0.12 0.00 0.04 0.00 0.00 55.36 54.14 1dma s GLN 603 Cb 0.13 -2.22 0.16 0.00 0.03 0.00 0.00 33.01 31.11 1dma s GLN 603 CO 0.56 0.44 0.81 -2.30 -2.54 0.00 0.00 175.29 172.26 1dma n PRO 604 N -0.04 -1.15 -2.32 9.60 -0.01 -1.26 -4.93 135.00 134.89 1dma n PRO 604 Ca -0.10 -0.29 -0.43 0.00 -0.01 0.00 0.00 63.50 62.67 1dma n PRO 604 Cb 0.55 -2.13 -0.02 0.00 -0.01 0.00 0.00 33.50 31.89 1dma n PRO 604 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1dma s GLY 605 N -2.34 1.71 -0.11 -1.23 0.00 -1.24 -5.03 107.32 99.08 1dma s GLY 605 Ca 0.64 0.63 -0.12 0.00 0.00 0.00 0.00 44.72 45.87 1dma s GLY 605 CO 0.63 2.57 0.28 1.25 0.00 0.00 0.00 173.10 177.83 1dma s LYS 606 N 3.29 3.95 0.24 2.90 2.20 -1.26 -5.06 119.74 126.00 1dma s LYS 606 Ca 0.60 0.11 -0.31 0.00 -0.36 0.00 0.00 55.97 56.01 1dma s LYS 606 Cb -0.26 -3.31 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 1dma s LYS 606 CO 0.20 0.51 1.62 -1.25 -0.36 0.00 0.00 175.35 176.06 1dma s PRO 607 N -0.36 4.15 1.08 4.03 0.04 -1.26 -5.00 135.00 137.68 1dma s PRO 607 Ca 0.18 2.53 -0.16 0.00 0.04 0.00 0.00 61.00 63.59 1dma s PRO 607 Cb -0.14 -3.07 0.11 0.00 0.04 0.00 0.00 34.50 31.45 1dma s PRO 607 CO 0.06 -0.64 0.29 -0.35 0.04 0.00 0.00 177.00 176.39 1dma n PRO 608 N 3.02 -1.33 0.00 0.56 -0.04 -1.26 -5.33 135.00 130.61 1dma n PRO 608 Ca 0.11 -0.36 0.15 0.00 -0.04 0.00 0.00 63.50 63.36 1dma n PRO 608 Cb 0.37 -1.83 0.69 0.00 -0.04 0.00 0.00 33.50 32.69 1dma n PRO 608 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00