#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b8h n PHE 400 N 0.00 0.00 1.25 0.00 3.72 -1.26 -4.74 117.46 116.43 3b8h n PHE 400 Ca 0.00 -0.51 0.13 0.00 -0.05 0.00 0.00 57.45 57.02 3b8h n PHE 400 Cb 0.00 -0.07 0.34 0.00 -0.94 0.00 0.00 39.48 38.81 3b8h n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3b8h n LEU 401 N -0.64 2.16 0.00 4.37 4.77 -1.26 -4.76 117.00 121.64 3b8h n LEU 401 Ca 0.04 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 3b8h n LEU 401 Cb 0.44 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3b8h n LEU 401 CO 0.00 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3b8h n GLY 402 N 1.25 -1.15 3.76 -0.72 0.00 -1.26 -4.77 105.19 102.31 3b8h n GLY 402 Ca 0.17 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 3b8h n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b8h s ASP 403 N -4.00 5.48 0.00 1.61 1.01 -1.26 -5.04 116.67 114.46 3b8h s ASP 403 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.24 3b8h s ASP 403 Cb 0.00 -1.46 0.00 0.00 1.01 0.00 0.00 42.92 42.47 3b8h s ASP 403 CO 0.00 0.18 0.00 0.61 0.21 0.00 0.00 175.17 176.17 3b8h n GLY 404 N 0.52 0.90 3.69 0.21 0.00 -1.26 -4.95 105.19 104.30 3b8h n GLY 404 Ca -0.09 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 3b8h n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b8h s GLY 405 N 0.00 1.63 0.09 -0.02 0.00 -1.26 -4.97 107.32 102.79 3b8h s GLY 405 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 44.72 43.44 3b8h s GLY 405 CO 0.00 -0.14 1.50 0.99 0.00 0.00 0.00 173.10 175.45 3b8h s ASP 406 N -4.14 6.72 -0.04 1.64 -0.00 -1.26 -4.95 116.67 114.64 3b8h s ASP 406 Ca 0.71 2.38 -0.25 0.00 -0.00 0.00 0.00 52.55 55.40 3b8h s ASP 406 Cb -0.09 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.22 3b8h s ASP 406 CO 0.55 -0.77 0.75 -0.69 -0.00 0.00 0.00 175.17 175.02 3b8h s VAL 407 N 1.82 4.99 0.06 -1.27 1.01 -1.26 -4.60 120.40 121.14 3b8h s VAL 407 Ca 0.68 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 64.20 3b8h s VAL 407 Cb -0.38 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3b8h s VAL 407 CO 0.30 0.25 0.02 -0.94 0.00 0.00 0.00 175.10 174.73 3b8h s SER 408 N 0.73 0.41 -0.13 3.32 1.04 -1.22 -4.98 113.70 112.86 3b8h s SER 408 Ca 0.40 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 3b8h s SER 408 Cb -0.19 0.23 -0.03 0.00 0.10 0.00 0.00 66.02 66.13 3b8h s SER 408 CO 0.20 -0.63 -0.01 -0.36 0.98 0.00 0.00 173.24 173.42 3b8h s PHE 409 N -3.91 3.09 0.14 5.02 0.08 -1.26 -0.37 117.98 120.77 3b8h s PHE 409 Ca 0.07 -0.08 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 3b8h s PHE 409 Cb 0.07 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.60 3b8h s PHE 409 CO -0.10 0.16 0.21 0.45 -0.10 0.00 0.00 175.22 175.85 3b8h s SER 410 N -0.07 0.12 0.44 1.36 0.15 -1.20 -4.98 113.70 109.53 3b8h s SER 410 Ca 0.03 -0.89 0.20 0.00 0.70 0.00 0.00 55.95 55.99 3b8h s SER 410 Cb -0.13 0.38 1.03 0.00 -1.71 0.00 0.00 66.02 65.59 3b8h s SER 410 CO 0.02 -0.82 1.92 0.71 1.20 0.00 0.00 173.24 176.28 3b8h h THR 411 N 2.67 0.90 0.00 6.45 1.35 -1.93 -1.71 112.91 120.64 3b8h h THR 411 Ca -0.33 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3b8h h THR 411 Cb 1.21 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3b8h h THR 411 CO 0.53 0.24 0.00 0.54 -0.25 0.00 0.00 175.52 176.58 3b8h n ARG 412 N -3.83 0.20 0.00 4.72 1.74 -1.26 -4.52 116.66 113.71 3b8h n ARG 412 Ca -0.02 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 3b8h n ARG 412 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3b8h n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 413 N 0.79 2.90 3.69 -0.13 0.00 -0.64 -5.03 105.19 106.77 3b8h n GLY 413 Ca 0.09 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 3b8h n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b8h s THR 414 N -2.43 3.46 0.28 2.61 2.01 -1.26 -3.26 115.64 117.05 3b8h s THR 414 Ca 0.00 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.58 3b8h s THR 414 Cb 0.00 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 3b8h s THR 414 CO 0.00 -0.00 0.95 -1.10 -0.69 0.00 0.00 174.62 173.78 3b8h s GLN 415 N 2.53 4.71 -1.43 4.92 -1.52 0.50 -3.97 119.66 125.41 3b8h s GLN 415 Ca 0.68 1.44 -0.08 0.00 -1.95 0.00 0.00 55.36 55.45 3b8h s GLN 415 Cb -0.35 -3.05 0.05 0.00 -0.22 0.00 0.00 33.01 29.44 3b8h s GLN 415 CO 0.29 0.39 0.89 0.09 -0.25 0.00 0.00 175.29 176.69 3b8h n ASN 416 N 1.04 -3.47 -3.43 5.90 3.02 -1.26 -3.46 115.26 113.60 3b8h n ASN 416 Ca -0.00 -0.77 -0.28 0.00 -0.03 0.00 0.00 54.58 53.50 3b8h n ASN 416 Cb 0.48 -4.07 -0.11 0.00 -0.61 0.00 0.00 39.78 35.48 3b8h n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b8h s TRP 417 N -3.45 1.06 0.72 3.10 -0.11 -1.25 -4.71 118.94 114.30 3b8h s TRP 417 Ca 0.39 -2.16 -0.08 0.00 1.22 0.00 0.00 56.10 55.47 3b8h s TRP 417 Cb -0.19 -0.98 0.06 0.00 -1.50 0.00 0.00 33.47 30.86 3b8h s TRP 417 CO 0.81 -0.82 1.05 0.95 -4.62 0.00 0.00 176.95 174.32 3b8h s THR 418 N 0.31 2.34 0.23 5.86 -4.23 -1.26 -4.91 115.64 113.97 3b8h s THR 418 Ca 0.28 -0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 3b8h s THR 418 Cb -0.04 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.90 3b8h s THR 418 CO -0.14 -0.05 1.78 0.58 -0.54 0.00 0.00 174.62 176.26 3b8h h VAL 419 N -0.67 1.25 -0.57 2.29 2.07 -1.99 -2.36 116.25 116.27 3b8h h VAL 419 Ca -0.45 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3b8h h VAL 419 Cb 1.31 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3b8h h VAL 419 CO 0.62 0.33 0.20 -0.33 0.02 0.00 0.00 177.57 178.41 3b8h h GLU 420 N 1.04 0.87 -0.87 1.57 3.07 -1.99 -1.08 114.58 117.19 3b8h h GLU 420 Ca 0.23 -0.18 -0.02 0.00 -0.50 0.00 0.00 59.36 58.89 3b8h h GLU 420 Cb 0.27 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.01 3b8h h GLU 420 CO -0.01 0.78 0.46 -0.09 -1.40 0.00 0.00 179.01 178.75 3b8h h ARG 421 N 0.79 1.22 -0.52 2.33 2.43 -1.88 -2.01 114.38 116.74 3b8h h ARG 421 Ca 0.19 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3b8h h ARG 421 Cb 0.25 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3b8h h ARG 421 CO -0.01 0.91 0.34 1.25 -1.51 0.00 0.00 179.97 180.95 3b8h h LEU 422 N 1.22 0.59 -1.24 3.80 5.85 -0.98 -0.18 115.31 124.37 3b8h h LEU 422 Ca 0.30 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.05 3b8h h LEU 422 Cb 0.05 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3b8h h LEU 422 CO -0.05 0.42 0.53 -0.07 -0.34 0.00 0.00 178.44 178.94 3b8h h LEU 423 N 0.70 0.85 -0.03 2.25 3.38 -0.75 0.22 115.31 121.92 3b8h h LEU 423 Ca 0.19 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3b8h h LEU 423 Cb -0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3b8h h LEU 423 CO -0.05 0.58 -0.02 -0.61 0.09 0.00 0.00 178.44 178.43 3b8h h GLN 424 N 0.98 0.07 -0.62 1.13 4.15 -0.85 -2.45 115.11 117.52 3b8h h GLN 424 Ca 0.32 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.72 3b8h h GLN 424 Cb 0.06 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3b8h h GLN 424 CO -0.10 0.51 0.41 0.00 -1.93 0.00 0.00 178.83 177.73 3b8h h ALA 425 N 0.56 0.79 -0.19 3.38 0.00 -0.59 -1.44 119.26 121.78 3b8h h ALA 425 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3b8h h ALA 425 Cb 0.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3b8h h ALA 425 CO 0.01 0.23 0.13 1.25 0.00 0.00 0.00 179.25 180.86 3b8h h HIS 426 N 0.85 0.24 0.05 0.00 -0.00 -0.62 -1.35 115.15 114.32 3b8h h HIS 426 Ca 0.23 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 3b8h h HIS 426 Cb -0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3b8h h HIS 426 CO -0.03 0.16 -0.02 -0.09 -0.00 0.00 0.00 177.93 177.94 3b8h h ARG 427 N 0.26 -0.06 -0.04 5.26 2.43 -1.16 -2.00 114.38 119.07 3b8h h ARG 427 Ca 0.07 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3b8h h ARG 427 Cb -0.03 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3b8h h ARG 427 CO -0.02 -0.03 0.03 1.96 -1.51 0.00 0.00 179.97 180.41 3b8h h GLN 428 N -0.08 0.00 -0.08 0.20 4.20 -1.17 0.75 115.11 118.93 3b8h h GLN 428 Ca -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3b8h h GLN 428 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3b8h h GLN 428 CO 0.01 0.00 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.06 3b8h h LEU 429 N 0.00 0.17 -0.92 1.46 3.38 -0.54 -2.81 115.31 116.05 3b8h h LEU 429 Ca 0.02 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 3b8h h LEU 429 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3b8h h LEU 429 CO -0.00 0.55 -0.02 -0.33 0.09 0.00 0.00 178.44 178.73 3b8h h GLU 430 N -0.20 0.77 -0.01 1.13 5.08 -0.74 -1.06 114.58 119.54 3b8h h GLU 430 Ca 0.02 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3b8h h GLU 430 Cb 0.49 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3b8h h GLU 430 CO 0.01 0.79 0.01 0.93 -1.00 0.00 0.00 179.01 179.76 3b8h h GLU 431 N 0.72 0.00 -0.60 2.33 5.08 -0.85 -0.52 114.58 120.74 3b8h h GLU 431 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3b8h h GLU 431 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3b8h h GLU 431 CO 0.02 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.57 3b8h n ARG 432 N -3.83 3.47 -1.55 2.33 1.74 -0.81 -4.95 116.66 113.07 3b8h n ARG 432 Ca -0.03 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.28 3b8h n ARG 432 Cb 0.10 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 3b8h n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 433 N 1.02 0.66 3.77 -0.13 0.00 -0.20 -5.00 105.19 105.30 3b8h n GLY 433 Ca 0.24 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 3b8h n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b8h s TYR 434 N -2.00 3.03 0.00 1.61 1.51 -0.47 -0.98 117.35 120.05 3b8h s TYR 434 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3b8h s TYR 434 Cb 0.00 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 40.44 3b8h s TYR 434 CO 0.00 0.53 -0.01 0.54 -1.11 0.00 0.00 175.55 175.51 3b8h s VAL 435 N -1.96 0.04 0.17 0.71 0.11 0.18 -3.86 120.40 115.80 3b8h s VAL 435 Ca 0.31 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.97 3b8h s VAL 435 Cb -0.09 -0.05 -0.08 0.00 -1.53 0.00 0.00 36.38 34.63 3b8h s VAL 435 CO 0.23 -0.03 1.21 0.12 -3.33 0.00 0.00 175.10 173.29 3b8h s PHE 436 N -0.13 3.42 0.00 1.54 5.36 -1.26 -1.32 117.98 125.59 3b8h s PHE 436 Ca -0.01 1.39 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3b8h s PHE 436 Cb -0.01 -3.44 0.00 0.00 -0.34 0.00 0.00 43.02 39.23 3b8h s PHE 436 CO -0.00 -1.27 0.23 1.33 -1.46 0.00 0.00 175.22 174.05 3b8h n VAL 437 N 2.65 0.00 -1.06 3.12 0.24 -0.50 -4.34 118.33 118.44 3b8h n VAL 437 Ca 0.05 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 3b8h n VAL 437 Cb 0.45 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.19 3b8h n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b8h n GLY 438 N 0.10 0.10 3.65 7.63 0.00 -1.23 -4.57 105.19 110.87 3b8h n GLY 438 Ca 0.00 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 3b8h n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b8h s TYR 439 N -2.13 2.86 -0.08 1.61 2.02 0.17 -0.79 117.35 121.01 3b8h s TYR 439 Ca 0.00 -0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3b8h s TYR 439 Cb 0.00 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 3b8h s TYR 439 CO 0.00 0.50 0.01 -1.58 -1.57 0.00 0.00 175.55 172.90 3b8h s HIS 440 N -1.56 0.67 -0.12 2.71 5.65 -0.13 -0.64 115.29 121.87 3b8h s HIS 440 Ca 0.26 -0.19 -0.08 0.00 0.25 0.00 0.00 55.06 55.30 3b8h s HIS 440 Cb -0.10 -0.81 -0.04 0.00 -1.18 0.00 0.00 32.58 30.45 3b8h s HIS 440 CO 0.18 -0.34 0.16 0.20 -0.65 0.00 0.00 174.74 174.28 3b8h s GLY 441 N 1.97 2.17 0.18 1.59 0.00 -1.22 -0.88 107.32 111.13 3b8h s GLY 441 Ca 0.05 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.06 3b8h s GLY 441 CO -0.05 -0.29 0.48 -0.37 0.00 0.00 0.00 173.10 172.87 3b8h n THR 442 N 2.14 0.00 -2.42 0.90 5.66 -1.04 -4.20 114.28 115.32 3b8h n THR 442 Ca -0.19 -0.46 -0.27 0.00 -3.05 0.00 0.00 64.05 60.08 3b8h n THR 442 Cb 0.54 0.50 0.02 0.00 -1.55 0.00 0.00 70.33 69.85 3b8h n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3b8h s PHE 443 N -4.74 3.38 0.16 1.09 -0.71 -1.26 -1.15 117.98 114.75 3b8h s PHE 443 Ca 0.10 0.76 -0.19 0.00 -1.04 0.00 0.00 56.93 56.56 3b8h s PHE 443 Cb -0.02 -2.61 0.07 0.00 -1.21 0.00 0.00 43.02 39.25 3b8h s PHE 443 CO 0.05 -0.65 1.66 -0.07 -1.34 0.00 0.00 175.22 174.87 3b8h h LEU 444 N -0.08 -0.47 -1.06 -1.99 3.38 -1.89 -0.83 115.31 112.37 3b8h h LEU 444 Ca -0.46 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 3b8h h LEU 444 Cb 1.24 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3b8h h LEU 444 CO 0.61 -0.17 0.04 -0.33 0.09 0.00 0.00 178.44 178.68 3b8h h GLU 445 N -0.07 0.71 -0.56 1.13 3.07 -1.94 -1.14 114.58 115.78 3b8h h GLU 445 Ca 0.17 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 3b8h h GLU 445 Cb 0.33 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3b8h h GLU 445 CO -0.40 0.69 0.22 0.00 -1.40 0.00 0.00 179.01 178.13 3b8h h ALA 446 N 1.37 0.72 -0.89 3.43 0.00 -1.67 -1.11 119.26 121.12 3b8h h ALA 446 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3b8h h ALA 446 Cb 0.35 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3b8h h ALA 446 CO 0.01 0.34 0.48 0.00 0.00 0.00 0.00 179.25 180.08 3b8h h ALA 447 N 1.07 1.17 -0.62 0.00 0.00 -0.62 0.52 119.26 120.78 3b8h h ALA 447 Ca 0.19 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3b8h h ALA 447 Cb 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3b8h h ALA 447 CO -0.01 0.66 0.39 0.37 0.00 0.00 0.00 179.25 180.65 3b8h h GLN 448 N 1.25 0.84 -0.35 0.00 5.75 -0.87 -1.34 115.11 120.39 3b8h h GLN 448 Ca 0.31 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.65 3b8h h GLN 448 Cb 0.04 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.40 3b8h h GLN 448 CO -0.05 0.59 -0.14 1.03 -2.65 0.00 0.00 178.83 177.61 3b8h h SER 449 N 0.84 0.72 -0.27 -0.69 0.87 -0.56 -2.69 113.55 111.78 3b8h h SER 449 Ca 0.22 -0.39 -0.14 0.00 -1.23 0.00 0.00 61.79 60.25 3b8h h SER 449 Cb -0.04 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 3b8h h SER 449 CO -0.04 0.95 -0.37 0.40 -0.53 0.00 0.00 176.83 177.24 3b8h h ILE 450 N 0.49 1.30 -0.00 2.23 2.04 -0.80 0.16 117.51 122.93 3b8h h ILE 450 Ca 0.08 -1.56 -0.17 0.00 1.00 0.00 0.00 64.86 64.21 3b8h h ILE 450 Cb 0.67 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 3b8h h ILE 450 CO 0.05 0.50 -0.81 0.58 0.00 0.00 0.00 178.15 178.47 3b8h h VAL 451 N 0.47 1.56 0.00 1.67 2.07 -1.31 -2.17 116.25 118.53 3b8h h VAL 451 Ca 0.03 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 64.84 3b8h h VAL 451 Cb 0.96 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 3b8h h VAL 451 CO 0.09 0.78 -1.50 0.49 0.02 0.00 0.00 177.57 177.44 3b8h n PHE 452 N -3.61 0.00 0.27 1.57 3.01 -1.01 -4.59 117.46 113.10 3b8h n PHE 452 Ca -0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.49 3b8h n PHE 452 Cb 0.77 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.94 3b8h n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b8h n GLY 453 N 1.89 0.02 0.00 1.37 0.00 0.53 -5.06 105.19 103.95 3b8h n GLY 453 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3b8h n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 454 N 1.45 -0.58 3.68 -0.02 0.00 -0.82 -4.89 105.19 104.01 3b8h n GLY 454 Ca 0.01 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3b8h n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b8h s VAL 455 N -3.02 3.54 0.01 1.61 1.01 -1.25 -4.42 120.40 117.87 3b8h s VAL 455 Ca 0.00 0.85 0.06 0.00 0.00 0.00 0.00 61.98 62.89 3b8h s VAL 455 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3b8h s VAL 455 CO 0.00 -0.03 -0.18 -0.13 0.00 0.00 0.00 175.10 174.77 3b8h s ARG 456 N 3.00 1.32 0.50 2.72 3.00 -1.26 -4.18 118.95 124.05 3b8h s ARG 456 Ca 0.69 -0.73 -0.23 0.00 0.00 0.00 0.00 55.73 55.45 3b8h s ARG 456 Cb -0.33 -1.33 -0.06 0.00 0.00 0.00 0.00 34.95 33.22 3b8h s ARG 456 CO 0.28 0.35 1.40 0.00 0.00 0.00 0.00 175.30 177.33 3b8h s ALA 457 N -0.59 3.02 0.17 2.13 0.00 -1.26 -5.03 121.76 120.20 3b8h s ALA 457 Ca 0.06 1.41 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 3b8h s ALA 457 Cb -0.07 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.50 3b8h s ALA 457 CO 0.00 -1.31 0.52 -0.98 0.00 0.00 0.00 175.76 173.99 3b8h s ARG 458 N -2.70 1.27 0.32 0.00 1.70 -1.26 -5.15 118.95 113.13 3b8h s ARG 458 Ca 0.67 -0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 54.93 3b8h s ARG 458 Cb -0.42 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 3b8h s ARG 458 CO 0.52 -0.54 1.20 0.45 -1.08 0.00 0.00 175.30 175.85 3b8h s SER 459 N -2.82 6.97 0.05 -2.89 0.15 -1.26 -4.96 113.70 108.94 3b8h s SER 459 Ca 0.05 2.46 0.00 0.00 0.70 0.00 0.00 55.95 59.16 3b8h s SER 459 Cb -0.00 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 3b8h s SER 459 CO -0.08 -0.37 -0.04 0.00 1.20 0.00 0.00 173.24 173.94 3b8h s GLN 460 N -1.70 0.58 -1.14 5.44 -2.07 -1.26 -5.09 119.66 114.42 3b8h s GLN 460 Ca 0.48 -1.06 -0.18 0.00 -1.82 0.00 0.00 55.36 52.78 3b8h s GLN 460 Cb -0.35 0.05 0.11 0.00 -1.09 0.00 0.00 33.01 31.72 3b8h s GLN 460 CO 0.46 -0.06 1.47 0.34 -1.32 0.00 0.00 175.29 176.18 3b8h s ASP 461 N -2.48 6.80 0.17 12.60 -1.08 -1.26 -4.86 116.67 126.55 3b8h s ASP 461 Ca 0.01 -2.32 -0.19 0.00 -0.52 0.00 0.00 52.55 49.53 3b8h s ASP 461 Cb 0.02 -2.49 0.07 0.00 -1.46 0.00 0.00 42.92 39.05 3b8h s ASP 461 CO -0.06 -1.09 0.92 0.00 0.52 0.00 0.00 175.17 175.46 3b8h n LEU 462 N 7.32 0.00 -4.73 -1.34 -0.00 -1.26 -5.14 117.00 111.85 3b8h n LEU 462 Ca 0.37 -1.33 -0.41 0.00 -0.00 0.00 0.00 56.01 54.63 3b8h n LEU 462 Cb 0.47 2.54 -0.03 0.00 -0.00 0.00 0.00 43.42 46.39 3b8h n LEU 462 CO 0.65 -0.44 0.88 -0.62 -0.00 0.00 0.00 177.39 177.86 3b8h s ASP 463 N -3.18 7.09 0.47 1.45 2.15 -1.26 -4.90 116.67 118.48 3b8h s ASP 463 Ca 0.20 2.16 0.34 0.00 0.43 0.00 0.00 52.55 55.69 3b8h s ASP 463 Cb -0.03 -2.60 1.48 0.00 -0.30 0.00 0.00 42.92 41.48 3b8h s ASP 463 CO 0.05 -0.40 1.64 0.00 -0.17 0.00 0.00 175.17 176.29 3b8h h ALA 464 N 5.75 2.96 0.00 3.66 0.00 -2.00 0.12 119.26 129.75 3b8h h ALA 464 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3b8h h ALA 464 Cb 1.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3b8h h ALA 464 CO 0.77 -1.54 0.00 0.44 0.00 0.00 0.00 179.25 178.92 3b8h n ILE 465 N -4.50 0.88 -0.41 0.00 -5.35 -1.26 -2.47 119.36 106.25 3b8h n ILE 465 Ca 0.37 0.25 0.06 0.00 -0.27 0.00 0.00 62.75 63.16 3b8h n ILE 465 Cb 1.50 -1.15 0.15 0.00 -1.74 0.00 0.00 39.64 38.40 3b8h n ILE 465 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3b8h n TRP 466 N -2.08 0.46 -2.28 4.28 7.02 0.41 -4.14 117.44 121.10 3b8h n TRP 466 Ca 0.02 -0.63 -0.38 0.00 -1.02 0.00 0.00 57.50 55.49 3b8h n TRP 466 Cb 0.21 -0.11 -0.02 0.00 -2.42 0.00 0.00 31.31 28.97 3b8h n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3b8h s ARG 467 N -1.59 4.00 0.00 -0.99 1.70 -1.03 -4.95 118.95 116.09 3b8h s ARG 467 Ca 0.24 1.84 0.00 0.00 -0.47 0.00 0.00 55.73 57.34 3b8h s ARG 467 Cb 0.16 -2.63 0.00 0.00 -0.57 0.00 0.00 34.95 31.91 3b8h s ARG 467 CO 0.10 -0.36 0.00 0.41 -1.08 0.00 0.00 175.30 174.37 3b8h n GLY 468 N 0.60 -1.93 3.59 3.88 0.00 -1.26 -4.54 105.19 105.52 3b8h n GLY 468 Ca 0.05 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3b8h n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b8h s PHE 469 N -2.60 3.23 -0.18 1.61 5.36 0.23 -4.89 117.98 120.74 3b8h s PHE 469 Ca 0.00 0.23 -0.16 0.00 -0.96 0.00 0.00 56.93 56.04 3b8h s PHE 469 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 43.02 40.10 3b8h s PHE 469 CO 0.00 -0.26 0.40 0.71 -1.46 0.00 0.00 175.22 174.61 3b8h s TYR 470 N 1.97 3.42 0.25 10.12 1.51 -1.26 -0.98 117.35 132.37 3b8h s TYR 470 Ca 0.12 0.67 0.01 0.00 -1.01 0.00 0.00 57.07 56.86 3b8h s TYR 470 Cb -0.16 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 3b8h s TYR 470 CO 0.11 0.07 0.13 0.96 -1.11 0.00 0.00 175.55 175.70 3b8h s ILE 471 N 1.03 0.30 -0.01 2.71 -4.36 -0.02 -4.80 121.20 116.05 3b8h s ILE 471 Ca 0.20 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.59 3b8h s ILE 471 Cb -0.14 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.01 3b8h s ILE 471 CO 0.08 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.27 3b8h s ALA 472 N -3.86 -0.01 0.20 2.27 0.00 0.19 0.41 121.76 120.95 3b8h s ALA 472 Ca 0.38 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.34 3b8h s ALA 472 Cb 0.07 -0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.27 3b8h s ALA 472 CO 0.14 -0.02 1.67 0.78 0.00 0.00 0.00 175.76 178.33 3b8h h GLY 473 N 6.29 1.08 -6.41 0.00 0.00 -1.81 0.48 103.07 102.70 3b8h h GLY 473 Ca -0.27 -0.79 -0.60 0.00 0.00 0.00 0.00 47.33 45.67 3b8h h GLY 473 CO 0.50 0.73 0.56 -0.35 0.00 0.00 0.00 176.54 177.97 3b8h s ASP 474 N -6.60 6.65 0.56 0.19 -1.08 -1.26 -4.64 116.67 110.49 3b8h s ASP 474 Ca -0.11 0.53 0.23 0.00 -0.52 0.00 0.00 52.55 52.68 3b8h s ASP 474 Cb 0.14 -2.45 1.55 0.00 -1.46 0.00 0.00 42.92 40.69 3b8h s ASP 474 CO 0.85 -0.83 2.18 1.55 0.52 0.00 0.00 175.17 179.44 3b8h h PRO 475 N 8.49 0.00 -0.12 4.34 0.13 -1.97 -1.72 132.00 141.14 3b8h h PRO 475 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.87 3b8h h PRO 475 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3b8h h PRO 475 CO 0.97 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.72 3b8h h ALA 476 N 1.97 1.74 0.07 -0.56 0.00 -1.94 0.12 119.26 120.66 3b8h h ALA 476 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b8h h ALA 476 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3b8h h ALA 476 CO -0.00 0.20 -0.03 1.25 0.00 0.00 0.00 179.25 180.66 3b8h h LEU 477 N 0.18 -0.08 -2.24 0.00 5.85 -1.70 -3.23 115.31 114.09 3b8h h LEU 477 Ca 0.04 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3b8h h LEU 477 Cb 0.16 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3b8h h LEU 477 CO 0.00 0.54 -0.04 0.00 -0.34 0.00 0.00 178.44 178.60 3b8h h ALA 478 N 0.03 1.57 -0.68 1.25 0.00 -1.49 -2.60 119.26 117.34 3b8h h ALA 478 Ca -0.01 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3b8h h ALA 478 Cb 0.60 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3b8h h ALA 478 CO 0.02 0.05 0.45 -0.92 0.00 0.00 0.00 179.25 178.84 3b8h h TYR 479 N 0.00 0.87 0.00 0.00 5.03 -0.78 -2.16 116.97 119.93 3b8h h TYR 479 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 3b8h h TYR 479 Cb 0.09 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.07 3b8h h TYR 479 CO 0.00 0.55 0.00 0.78 -1.32 0.00 0.00 178.16 178.17 3b8h h GLY 480 N 0.94 0.00 -1.07 1.82 0.00 -1.55 -1.57 103.07 101.64 3b8h h GLY 480 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3b8h h GLY 480 CO -0.05 0.00 -0.36 -1.72 0.00 0.00 0.00 176.54 174.41 3b8h n TYR 481 N -2.60 0.00 -1.75 5.60 4.01 -0.82 -4.72 117.16 116.88 3b8h n TYR 481 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3b8h n TYR 481 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.16 3b8h n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b8h n ALA 482 N 0.17 5.97 -3.61 -0.72 0.00 -0.59 -3.26 120.51 118.47 3b8h n ALA 482 Ca 0.09 -3.89 -0.05 0.00 0.00 0.00 0.00 53.44 49.60 3b8h n ALA 482 Cb 0.45 -3.39 -0.02 0.00 0.00 0.00 0.00 19.45 16.49 3b8h n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b8h s GLN 483 N 2.38 0.76 0.35 0.00 -2.07 -1.24 0.61 119.66 120.46 3b8h s GLN 483 Ca 0.51 -0.35 -0.29 0.00 -1.82 0.00 0.00 55.36 53.41 3b8h s GLN 483 Cb 0.14 0.30 -0.11 0.00 -1.09 0.00 0.00 33.01 32.25 3b8h s GLN 483 CO -0.07 -0.34 1.54 -0.51 -1.32 0.00 0.00 175.29 174.59 3b8h s ASP 484 N -2.64 6.33 0.12 12.60 1.01 -0.61 -4.27 116.67 129.20 3b8h s ASP 484 Ca 0.09 3.04 0.22 0.00 0.71 0.00 0.00 52.55 56.62 3b8h s ASP 484 Cb -0.00 -2.66 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 3b8h s ASP 484 CO -0.04 -0.91 0.86 0.00 0.21 0.00 0.00 175.17 175.29 3b8h n GLN 485 N 1.02 0.61 -4.35 8.23 1.13 -1.26 -4.86 117.38 117.89 3b8h n GLN 485 Ca 0.03 0.01 -0.19 0.00 -1.94 0.00 0.00 57.00 54.91 3b8h n GLN 485 Cb 0.38 -1.71 -0.15 0.00 0.11 0.00 0.00 30.24 28.87 3b8h n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3b8h s GLU 486 N -3.41 0.80 0.75 -1.09 2.02 -1.26 -5.15 118.70 111.37 3b8h s GLU 486 Ca -0.03 -0.30 -0.14 0.00 0.02 0.00 0.00 54.97 54.53 3b8h s GLU 486 Cb 0.11 -0.76 0.05 0.00 0.10 0.00 0.00 34.13 33.63 3b8h s GLU 486 CO 0.83 0.15 1.16 -1.25 0.02 0.00 0.00 175.26 176.17 3b8h s PRO 487 N -0.01 2.08 0.00 0.39 0.04 -1.26 -4.90 135.00 131.33 3b8h s PRO 487 Ca 0.00 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.62 3b8h s PRO 487 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3b8h s PRO 487 CO -0.00 -1.84 0.00 -0.40 0.04 0.00 0.00 177.00 174.80 3b8h n ASP 488 N -3.03 0.00 -0.32 6.66 5.75 -1.01 -4.84 116.55 119.76 3b8h n ASP 488 Ca 0.12 -0.34 0.03 0.00 -0.01 0.00 0.00 54.79 54.58 3b8h n ASP 488 Cb 0.51 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.81 3b8h n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b8h h ALA 489 N -1.99 1.46 -0.01 2.12 0.00 -1.97 -2.66 119.26 116.22 3b8h h ALA 489 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3b8h h ALA 489 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3b8h h ALA 489 CO 0.00 0.43 -0.40 0.54 0.00 0.00 0.00 179.25 179.82 3b8h n ARG 490 N -4.47 0.75 -0.02 0.00 1.74 -1.26 -4.94 116.66 108.47 3b8h n ARG 490 Ca 0.13 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 3b8h n ARG 490 Cb 0.15 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3b8h n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b8h n GLY 491 N 1.39 0.99 3.71 -0.13 0.00 -1.00 -5.07 105.19 105.09 3b8h n GLY 491 Ca 0.10 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3b8h n GLY 491 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b8h s ARG 492 N -0.35 4.47 -0.31 1.61 3.52 -1.26 -4.73 118.95 121.90 3b8h s ARG 492 Ca 0.00 1.70 0.03 0.00 -0.13 0.00 0.00 55.73 57.33 3b8h s ARG 492 Cb 0.00 -3.36 0.09 0.00 -1.56 0.00 0.00 34.95 30.11 3b8h s ARG 492 CO 0.00 -0.19 -0.00 0.42 -0.81 0.00 0.00 175.30 174.72 3b8h s ILE 493 N 0.95 2.19 0.39 4.11 -1.09 -1.26 -2.39 121.20 124.10 3b8h s ILE 493 Ca 0.57 -2.06 -0.13 0.00 -2.23 0.00 0.00 60.65 56.79 3b8h s ILE 493 Cb -0.28 -2.51 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 3b8h s ILE 493 CO 0.29 -0.40 0.79 -0.13 -1.23 0.00 0.00 174.94 174.26 3b8h s ARG 494 N 1.00 3.90 0.44 2.79 0.52 -1.26 -4.88 118.95 121.46 3b8h s ARG 494 Ca 0.04 0.63 -0.24 0.00 -0.52 0.00 0.00 55.73 55.64 3b8h s ARG 494 Cb -0.19 -2.36 -0.08 0.00 0.52 0.00 0.00 34.95 32.84 3b8h s ARG 494 CO -0.07 0.00 1.16 0.54 0.02 0.00 0.00 175.30 176.95 3b8h s ASN 495 N -2.79 6.30 0.00 0.23 4.22 -1.26 -1.58 114.94 120.06 3b8h s ASN 495 Ca 0.54 2.30 0.00 0.00 -2.14 0.00 0.00 52.86 53.56 3b8h s ASN 495 Cb -0.10 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.82 3b8h s ASN 495 CO 0.25 -0.83 0.00 0.61 -2.04 0.00 0.00 177.10 175.10 3b8h n GLY 496 N 0.48 1.75 3.22 0.45 0.00 0.20 -4.68 105.19 106.61 3b8h n GLY 496 Ca 0.06 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.24 3b8h n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b8h s ALA 497 N -3.16 -0.76 -0.05 4.61 0.00 -0.30 -4.64 121.76 117.47 3b8h s ALA 497 Ca 0.00 0.54 -0.17 0.00 0.00 0.00 0.00 51.96 52.33 3b8h s ALA 497 Cb 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 3b8h s ALA 497 CO 0.00 -0.21 0.46 -0.51 0.00 0.00 0.00 175.76 175.50 3b8h s LEU 498 N -0.69 4.38 0.09 0.00 1.43 -1.26 -2.51 118.68 120.12 3b8h s LEU 498 Ca -0.08 0.93 0.10 0.00 -1.03 0.00 0.00 54.13 54.05 3b8h s LEU 498 Cb -0.04 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 3b8h s LEU 498 CO 0.02 0.16 -0.26 -0.76 0.23 0.00 0.00 176.35 175.75 3b8h s LEU 499 N -0.24 2.24 -0.19 1.79 1.43 -0.05 -1.20 118.68 122.45 3b8h s LEU 499 Ca 0.25 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3b8h s LEU 499 Cb -0.16 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 3b8h s LEU 499 CO 0.13 0.20 0.09 -0.13 0.23 0.00 0.00 176.35 176.86 3b8h s ARG 500 N -1.64 4.06 -0.20 1.70 0.52 0.10 -0.95 118.95 122.54 3b8h s ARG 500 Ca 0.12 -0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 54.98 3b8h s ARG 500 Cb -0.10 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 3b8h s ARG 500 CO 0.04 0.27 0.01 0.08 0.02 0.00 0.00 175.30 175.72 3b8h s VAL 501 N 0.40 4.09 0.11 3.52 1.01 0.03 -1.85 120.40 127.71 3b8h s VAL 501 Ca 0.05 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3b8h s VAL 501 Cb -0.12 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3b8h s VAL 501 CO -0.01 0.43 -0.21 -0.31 0.00 0.00 0.00 175.10 175.01 3b8h s TYR 502 N 0.89 2.47 0.17 5.22 1.51 -0.25 -1.41 117.35 125.95 3b8h s TYR 502 Ca 0.01 -0.30 0.06 0.00 -1.01 0.00 0.00 57.07 55.84 3b8h s TYR 502 Cb -0.14 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3b8h s TYR 502 CO 0.02 0.35 -0.13 0.14 -1.11 0.00 0.00 175.55 174.81 3b8h s VAL 503 N -1.08 1.50 0.31 0.71 -7.23 -0.43 -1.00 120.40 113.17 3b8h s VAL 503 Ca 0.16 -2.06 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 3b8h s VAL 503 Cb -0.10 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 34.85 3b8h s VAL 503 CO 0.08 -0.59 1.45 -2.84 -0.31 0.00 0.00 175.10 172.88 3b8h s PRO 504 N -3.45 4.23 0.61 4.82 0.02 -1.26 -0.64 135.00 139.32 3b8h s PRO 504 Ca 0.18 2.39 0.33 0.00 0.02 0.00 0.00 61.00 63.93 3b8h s PRO 504 Cb -0.01 -3.05 1.93 0.00 0.02 0.00 0.00 34.50 33.39 3b8h s PRO 504 CO 0.04 -0.43 2.23 0.00 -0.33 0.00 0.00 177.00 178.51 3b8h h ARG 505 N 4.11 0.00 0.00 5.54 3.08 -1.38 -0.62 114.38 125.11 3b8h h ARG 505 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 3b8h h ARG 505 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3b8h h ARG 505 CO 0.72 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.49 3b8h n SER 506 N -3.59 0.34 -0.32 7.04 3.41 -1.26 -1.84 113.62 117.39 3b8h n SER 506 Ca -0.02 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 3b8h n SER 506 Cb 0.15 -0.68 0.16 0.00 -0.26 0.00 0.00 64.21 63.58 3b8h n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b8h n SER 507 N -1.92 1.45 -0.01 4.04 3.41 -0.24 -4.38 113.62 115.96 3b8h n SER 507 Ca 0.01 -1.14 0.03 0.00 -0.26 0.00 0.00 58.87 57.51 3b8h n SER 507 Cb 0.09 0.37 0.40 0.00 -0.26 0.00 0.00 64.21 64.82 3b8h n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b8h h LEU 508 N 1.59 0.50 -0.54 1.04 3.38 -1.51 -1.17 115.31 118.58 3b8h h LEU 508 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3b8h h LEU 508 Cb 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3b8h h LEU 508 CO 0.00 0.37 0.00 -2.65 0.09 0.00 0.00 178.44 176.25 3b8h n PRO 509 N -4.46 0.05 -0.13 1.13 -0.02 -1.26 -1.45 135.00 128.87 3b8h n PRO 509 Ca 0.03 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3b8h n PRO 509 Cb 0.07 -1.68 0.20 0.00 -0.02 0.00 0.00 33.50 32.07 3b8h n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b8h n GLY 510 N -1.39 1.41 3.66 -1.23 0.00 -0.44 -4.92 105.19 102.28 3b8h n GLY 510 Ca -0.00 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 3b8h n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b8h s PHE 511 N -1.67 3.36 0.18 1.61 0.40 -0.53 -1.06 117.98 120.27 3b8h s PHE 511 Ca 0.35 0.56 0.06 0.00 -0.60 0.00 0.00 56.93 57.31 3b8h s PHE 511 Cb 0.22 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.19 3b8h s PHE 511 CO 0.31 -0.03 -0.13 0.71 0.70 0.00 0.00 175.22 176.79 3b8h s TYR 512 N 1.37 1.52 0.18 0.36 1.51 -0.65 -2.42 117.35 119.20 3b8h s TYR 512 Ca 0.18 -0.65 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 3b8h s TYR 512 Cb -0.15 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 3b8h s TYR 512 CO 0.08 0.24 -0.13 -0.98 -1.11 0.00 0.00 175.55 173.65 3b8h s ARG 513 N -3.69 1.20 0.07 -0.62 1.70 0.03 -1.03 118.95 116.62 3b8h s ARG 513 Ca 0.20 -1.51 -0.13 0.00 -0.47 0.00 0.00 55.73 53.82 3b8h s ARG 513 Cb 0.01 -0.91 0.02 0.00 -0.57 0.00 0.00 34.95 33.49 3b8h s ARG 513 CO 0.04 0.14 0.31 -0.08 -1.08 0.00 0.00 175.30 174.63 3b8h s THR 514 N -3.04 0.09 -0.57 4.99 -1.32 -0.40 -4.61 115.64 110.79 3b8h s THR 514 Ca 0.19 -0.76 0.24 0.00 -1.21 0.00 0.00 61.69 60.15 3b8h s THR 514 Cb 0.00 -1.09 0.02 0.00 -1.51 0.00 0.00 72.50 69.92 3b8h s THR 514 CO 0.04 -0.42 1.24 0.28 -2.21 0.00 0.00 174.62 173.55 3b8h h SER 515 N 2.88 0.00 -4.27 8.08 0.02 -2.00 -3.39 113.55 114.86 3b8h h SER 515 Ca -0.33 -0.20 -0.51 0.00 -0.84 0.00 0.00 61.79 59.91 3b8h h SER 515 Cb 1.21 0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.90 3b8h h SER 515 CO 0.48 0.10 0.29 -0.76 -1.14 0.00 0.00 176.83 175.80 3b8h s LEU 516 N -4.40 2.90 -0.13 5.07 1.43 -1.26 -4.65 118.68 117.63 3b8h s LEU 516 Ca 0.05 1.86 -0.25 0.00 -1.03 0.00 0.00 54.13 54.76 3b8h s LEU 516 Cb 0.13 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 3b8h s LEU 516 CO 0.74 -2.33 0.82 -0.89 0.23 0.00 0.00 176.35 174.92 3b8h s THR 517 N -2.85 4.91 0.89 5.49 2.01 -1.26 -3.69 115.64 121.14 3b8h s THR 517 Ca 0.63 1.64 -0.12 0.00 0.31 0.00 0.00 61.69 64.14 3b8h s THR 517 Cb -0.18 -4.14 0.12 0.00 0.01 0.00 0.00 72.50 68.31 3b8h s THR 517 CO 0.57 0.08 1.13 -0.76 -0.69 0.00 0.00 174.62 174.95 3b8h s LEU 518 N 1.79 2.14 -1.76 4.42 1.43 -0.94 -4.05 118.68 121.72 3b8h s LEU 518 Ca 0.39 1.00 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 3b8h s LEU 518 Cb -0.17 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3b8h s LEU 518 CO 0.15 -2.42 0.00 0.00 0.23 0.00 0.00 176.35 174.31 3b8h n ALA 519 N -3.68 -0.53 -2.74 4.21 0.00 -1.26 -4.87 120.51 111.63 3b8h n ALA 519 Ca 0.07 0.19 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 3b8h n ALA 519 Cb 0.59 -2.08 -0.14 0.00 0.00 0.00 0.00 19.45 17.82 3b8h n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8h s ALA 520 N -2.94 0.54 0.58 0.00 0.00 -1.26 -5.04 121.76 113.65 3b8h s ALA 520 Ca 0.00 -0.31 0.31 0.00 0.00 0.00 0.00 51.96 51.96 3b8h s ALA 520 Cb 0.00 -0.13 1.68 0.00 0.00 0.00 0.00 23.12 24.68 3b8h s ALA 520 CO 0.00 0.12 1.94 -1.00 0.00 0.00 0.00 175.76 176.82 3b8h h PRO 521 N 5.89 0.00 -0.01 0.00 0.13 -1.94 0.46 132.00 136.53 3b8h h PRO 521 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3b8h h PRO 521 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3b8h h PRO 521 CO 0.49 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.62 3b8h n GLU 522 N -2.83 1.13 -0.00 0.86 4.71 -1.26 -3.68 120.64 119.57 3b8h n GLU 522 Ca -0.02 -0.39 0.00 0.00 -0.01 0.00 0.00 57.16 56.74 3b8h n GLU 522 Cb 0.31 -1.49 -0.00 0.00 -1.01 0.00 0.00 31.44 29.25 3b8h n GLU 522 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3b8h n ALA 523 N -0.60 2.01 -0.18 0.62 0.00 0.13 -4.73 120.51 117.77 3b8h n ALA 523 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.60 3b8h n ALA 523 Cb 0.24 -0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.76 3b8h n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b8h h ALA 524 N 0.01 0.68 -0.88 0.00 0.00 -1.59 -1.42 119.26 116.07 3b8h h ALA 524 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3b8h h ALA 524 Cb 0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3b8h h ALA 524 CO 0.00 -0.16 0.58 0.78 0.00 0.00 0.00 179.25 180.45 3b8h h GLY 525 N 0.43 1.24 1.67 0.00 0.00 -1.85 -0.30 103.07 104.26 3b8h h GLY 525 Ca 0.25 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.94 3b8h h GLY 525 CO -0.23 0.46 -0.72 -2.09 0.00 0.00 0.00 176.54 173.96 3b8h h GLU 526 N 1.19 0.32 -0.32 4.80 4.57 -1.77 -2.53 114.58 120.83 3b8h h GLU 526 Ca 0.32 -0.26 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 3b8h h GLU 526 Cb -0.13 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3b8h h GLU 526 CO -0.07 0.91 -0.35 0.28 -1.18 0.00 0.00 179.01 178.61 3b8h h VAL 527 N 0.22 1.29 0.00 0.32 2.07 -0.94 -2.10 116.25 117.10 3b8h h VAL 527 Ca -0.03 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 65.95 3b8h h VAL 527 Cb 1.29 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3b8h h VAL 527 CO 0.12 0.50 -0.12 -0.33 0.02 0.00 0.00 177.57 177.76 3b8h h GLU 528 N 0.58 0.00 -0.10 1.57 5.08 -1.06 -1.56 114.58 119.10 3b8h h GLU 528 Ca 0.05 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 3b8h h GLU 528 Cb 0.93 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.19 3b8h h GLU 528 CO 0.08 0.12 -0.58 -0.09 -1.00 0.00 0.00 179.01 177.54 3b8h h ARG 529 N 0.00 0.57 -0.33 2.33 2.43 -1.14 -2.34 114.38 115.90 3b8h h ARG 529 Ca -0.00 -0.48 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 3b8h h ARG 529 Cb 0.32 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3b8h h ARG 529 CO 0.02 1.11 -0.16 -0.07 -1.51 0.00 0.00 179.97 179.35 3b8h h LEU 530 N 0.18 0.71 -0.20 3.80 3.38 -0.82 -3.09 115.31 119.26 3b8h h LEU 530 Ca -0.05 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3b8h h LEU 530 Cb 1.23 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3b8h h LEU 530 CO 0.12 0.96 -0.16 2.30 0.09 0.00 0.00 178.44 181.75 3b8h n ILE 531 N -4.35 0.00 -1.35 1.22 -5.35 -0.64 -4.12 119.36 104.77 3b8h n ILE 531 Ca -0.03 -0.05 -0.07 0.00 -0.27 0.00 0.00 62.75 62.33 3b8h n ILE 531 Cb 0.39 -0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.22 3b8h n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b8h n GLY 532 N 1.34 0.81 3.51 3.28 0.00 -0.97 -4.99 105.19 108.16 3b8h n GLY 532 Ca 0.12 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3b8h n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b8h s HIS 533 N -2.28 -0.37 0.57 1.61 0.00 -0.92 -5.04 115.29 108.87 3b8h s HIS 533 Ca 0.00 0.30 -0.20 0.00 -3.00 0.00 0.00 55.06 52.16 3b8h s HIS 533 Cb 0.00 0.52 -0.04 0.00 -4.00 0.00 0.00 32.58 29.06 3b8h s HIS 533 CO 0.00 -0.53 1.27 -2.14 -1.00 0.00 0.00 174.74 172.34 3b8h s PRO 534 N -2.83 3.05 0.91 -0.38 0.02 -1.26 -4.46 135.00 130.05 3b8h s PRO 534 Ca 0.03 2.02 -0.11 0.00 0.02 0.00 0.00 61.00 62.96 3b8h s PRO 534 Cb -0.01 -2.09 0.12 0.00 0.02 0.00 0.00 34.50 32.54 3b8h s PRO 534 CO -0.07 -1.19 1.05 1.28 -0.33 0.00 0.00 177.00 177.73 3b8h n LEU 535 N -1.30 2.97 -4.92 -5.54 4.77 -1.26 -4.76 117.00 106.95 3b8h n LEU 535 Ca 0.12 0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 56.25 3b8h n LEU 535 Cb 0.47 -1.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.25 3b8h n LEU 535 CO 0.48 -2.31 0.79 -2.16 -1.33 0.00 0.00 177.39 172.86 3b8h s PRO 536 N -4.41 1.41 0.60 3.23 0.04 -1.26 -4.94 135.00 129.66 3b8h s PRO 536 Ca 0.66 -0.23 -0.19 0.00 0.04 0.00 0.00 61.00 61.28 3b8h s PRO 536 Cb -0.24 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 3b8h s PRO 536 CO 0.58 -1.89 1.23 -0.51 0.04 0.00 0.00 177.00 176.45 3b8h s LEU 537 N -5.64 3.67 0.00 -3.56 1.43 -1.26 -5.00 118.68 108.31 3b8h s LEU 537 Ca 0.67 2.46 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 3b8h s LEU 537 Cb -0.08 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.58 3b8h s LEU 537 CO 0.50 -1.65 0.00 0.54 0.23 0.00 0.00 176.35 175.97 3b8h n ARG 538 N -1.57 0.00 -1.24 1.70 5.12 -1.26 -4.14 116.66 115.27 3b8h n ARG 538 Ca 0.14 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.81 3b8h n ARG 538 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 3b8h n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b8h n LEU 539 N 0.00 6.67 -4.00 0.55 4.77 -1.26 -2.34 117.00 121.39 3b8h n LEU 539 Ca 0.00 -3.81 -0.09 0.00 -0.03 0.00 0.00 56.01 52.07 3b8h n LEU 539 Cb 0.00 -1.12 -0.06 0.00 -2.33 0.00 0.00 43.42 39.91 3b8h n LEU 539 CO 0.00 1.49 0.11 1.51 -1.33 0.00 0.00 177.39 179.17 3b8h s ASP 540 N -0.05 -0.06 0.04 -1.43 3.84 -1.26 -4.69 116.67 113.06 3b8h s ASP 540 Ca 0.47 -0.95 0.00 0.00 -0.00 0.00 0.00 52.55 52.08 3b8h s ASP 540 Cb 0.34 0.55 -0.03 0.00 -1.38 0.00 0.00 42.92 42.40 3b8h s ASP 540 CO -0.12 -1.07 -0.04 0.00 -0.00 0.00 0.00 175.17 173.94 3b8h s ALA 541 N -4.02 0.39 -0.05 2.11 0.00 -0.22 -1.73 121.76 118.25 3b8h s ALA 541 Ca 0.23 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3b8h s ALA 541 Cb 0.01 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.30 3b8h s ALA 541 CO 0.08 -0.20 -0.12 -1.50 0.00 0.00 0.00 175.76 174.02 3b8h s ILE 542 N -2.32 1.08 -0.11 0.00 1.10 -0.86 -1.64 121.20 118.45 3b8h s ILE 542 Ca -0.06 -0.48 0.03 0.00 -0.51 0.00 0.00 60.65 59.63 3b8h s ILE 542 Cb -0.04 -0.97 -0.00 0.00 0.15 0.00 0.00 42.46 41.60 3b8h s ILE 542 CO -0.04 0.33 -0.21 -0.89 -2.11 0.00 0.00 174.94 172.03 3b8h s THR 543 N 0.42 2.30 0.10 4.00 2.01 -0.19 -0.82 115.64 123.46 3b8h s THR 543 Ca -0.09 -0.93 -0.26 0.00 0.31 0.00 0.00 61.69 60.72 3b8h s THR 543 Cb -0.13 -1.91 0.09 0.00 0.01 0.00 0.00 72.50 70.56 3b8h s THR 543 CO 0.02 0.55 1.10 -0.83 -0.69 0.00 0.00 174.62 174.78 3b8h s GLY 544 N 0.39 -0.21 0.01 4.40 0.00 -0.76 -1.27 107.32 109.87 3b8h s GLY 544 Ca -0.16 0.19 -0.36 0.00 0.00 0.00 0.00 44.72 44.40 3b8h s GLY 544 CO 0.07 0.96 1.63 -1.05 0.00 0.00 0.00 173.10 174.71 3b8h n PRO 545 N -0.56 1.75 0.13 2.90 -0.02 -1.24 -1.08 135.00 136.88 3b8h n PRO 545 Ca -0.05 0.63 0.12 0.00 -2.02 0.00 0.00 63.50 62.18 3b8h n PRO 545 Cb 0.61 -2.38 0.50 0.00 -0.02 0.00 0.00 33.50 32.21 3b8h n PRO 545 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3b8h n ALA 546 N 4.35 1.57 -3.66 3.55 0.00 -0.04 -2.21 120.51 124.07 3b8h n ALA 546 Ca 0.20 0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.71 3b8h n ALA 546 Cb 0.24 -1.37 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 3b8h n ALA 546 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3b8h s GLU 547 N -3.34 0.85 -0.08 0.00 -1.05 -1.26 -4.72 118.70 109.11 3b8h s GLU 547 Ca 0.03 -0.44 -0.33 0.00 -0.15 0.00 0.00 54.97 54.08 3b8h s GLU 547 Cb 0.09 0.31 -0.11 0.00 -0.44 0.00 0.00 34.13 33.98 3b8h s GLU 547 CO 0.36 -0.39 1.91 0.39 0.95 0.00 0.00 175.26 178.49 3b8h n GLU 548 N -0.40 2.28 -0.85 -4.83 -0.58 -1.26 -0.28 120.64 114.72 3b8h n GLU 548 Ca -0.07 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3b8h n GLU 548 Cb 0.61 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.76 3b8h n GLU 548 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3b8h n GLY 549 N 4.50 0.51 2.55 0.62 0.00 -1.26 -4.99 105.19 107.13 3b8h n GLY 549 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 3b8h n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b8h n GLY 550 N -1.83 -0.94 3.90 -0.02 0.00 0.61 -5.08 105.19 101.84 3b8h n GLY 550 Ca 0.00 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3b8h n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3b8h s ARG 551 N -4.76 2.66 0.26 1.61 0.52 -1.26 -4.65 118.95 113.33 3b8h s ARG 551 Ca 0.49 0.17 -0.30 0.00 -0.52 0.00 0.00 55.73 55.57 3b8h s ARG 551 Cb -0.02 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.25 3b8h s ARG 551 CO 0.34 -1.03 1.07 -0.51 0.02 0.00 0.00 175.30 175.18 3b8h s LEU 552 N -5.26 4.56 0.17 2.53 1.43 -1.26 -0.86 118.68 120.00 3b8h s LEU 552 Ca 0.58 2.18 0.09 0.00 -1.03 0.00 0.00 54.13 55.94 3b8h s LEU 552 Cb -0.11 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3b8h s LEU 552 CO 0.48 -0.09 -0.18 -1.83 0.23 0.00 0.00 176.35 174.96 3b8h s GLU 553 N -1.24 1.31 -0.10 1.70 -1.05 -0.24 -4.32 118.70 114.76 3b8h s GLU 553 Ca 0.44 -1.44 0.03 0.00 -0.15 0.00 0.00 54.97 53.85 3b8h s GLU 553 Cb -0.30 -1.36 0.01 0.00 -0.44 0.00 0.00 34.13 32.03 3b8h s GLU 553 CO 0.38 0.27 -0.21 0.99 0.95 0.00 0.00 175.26 177.65 3b8h s THR 554 N -2.12 1.82 -0.31 1.83 2.01 0.17 -1.83 115.64 117.19 3b8h s THR 554 Ca 0.17 -0.87 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 3b8h s THR 554 Cb -0.05 -1.59 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3b8h s THR 554 CO 0.07 0.51 0.10 -0.63 -0.69 0.00 0.00 174.62 173.98 3b8h s ILE 555 N 0.52 4.04 -0.23 1.82 1.01 0.00 -0.84 121.20 127.52 3b8h s ILE 555 Ca -0.16 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.50 3b8h s ILE 555 Cb -0.17 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3b8h s ILE 555 CO 0.06 -0.01 0.64 -0.76 0.00 0.00 0.00 174.94 174.87 3b8h s LEU 556 N 1.49 4.10 0.40 2.97 1.43 -0.16 -2.02 118.68 126.90 3b8h s LEU 556 Ca 0.02 0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 53.66 3b8h s LEU 556 Cb -0.18 -2.89 -0.11 0.00 0.03 0.00 0.00 46.19 43.04 3b8h s LEU 556 CO 0.03 -0.34 0.89 0.61 0.23 0.00 0.00 176.35 177.78 3b8h n GLY 557 N 3.98 -0.54 0.26 -3.19 0.00 -0.71 -0.60 105.19 104.40 3b8h n GLY 557 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3b8h n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3b8h h TRP 558 N 1.39 0.57 -1.00 1.61 -0.00 -1.72 0.26 115.95 117.06 3b8h h TRP 558 Ca -0.43 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.55 3b8h h TRP 558 Cb 1.35 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.16 30.30 3b8h h TRP 558 CO 0.42 0.19 0.65 -1.35 -0.00 0.00 0.00 178.44 178.35 3b8h h PRO 559 N 0.54 1.17 -0.26 0.49 0.11 -1.86 -1.96 132.00 130.24 3b8h h PRO 559 Ca 0.34 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.21 3b8h h PRO 559 Cb 0.39 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.23 3b8h h PRO 559 CO -0.29 0.77 -0.54 1.25 -0.21 0.00 0.00 178.00 178.98 3b8h h LEU 560 N 1.20 0.85 -1.45 2.35 5.85 -0.67 -3.20 115.31 120.25 3b8h h LEU 560 Ca 0.42 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3b8h h LEU 560 Cb 0.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3b8h h LEU 560 CO -0.15 1.23 0.17 0.00 -0.34 0.00 0.00 178.44 179.35 3b8h h ALA 561 N 0.79 1.57 0.00 1.25 0.00 -0.03 -1.56 119.26 121.29 3b8h h ALA 561 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b8h h ALA 561 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3b8h h ALA 561 CO 0.12 0.34 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3b8h n GLU 562 N -4.40 0.20 -0.30 0.00 1.02 -0.79 -2.04 120.64 114.34 3b8h n GLU 562 Ca 0.03 0.11 0.10 0.00 -0.02 0.00 0.00 57.16 57.38 3b8h n GLU 562 Cb 0.13 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.31 3b8h n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b8h n ARG 563 N -1.35 2.72 -1.70 3.49 5.12 -0.59 -4.82 116.66 119.53 3b8h n ARG 563 Ca 0.08 -2.44 -0.30 0.00 -1.93 0.00 0.00 57.85 53.26 3b8h n ARG 563 Cb 0.19 -1.47 0.06 0.00 -1.16 0.00 0.00 32.46 30.07 3b8h n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3b8h s THR 564 N -1.04 3.67 -0.13 0.55 -4.23 -0.87 -4.37 115.64 109.22 3b8h s THR 564 Ca 0.40 0.54 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 3b8h s THR 564 Cb 0.21 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.67 3b8h s THR 564 CO 0.28 -0.71 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.79 3b8h s VAL 565 N -3.19 1.73 -0.12 2.29 1.01 -0.17 -4.82 120.40 117.12 3b8h s VAL 565 Ca 0.58 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3b8h s VAL 565 Cb -0.13 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 3b8h s VAL 565 CO 0.54 0.49 -0.17 -0.69 0.00 0.00 0.00 175.10 175.26 3b8h s VAL 566 N 1.05 2.65 0.21 2.92 1.01 -1.26 -1.09 120.40 125.89 3b8h s VAL 566 Ca -0.04 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3b8h s VAL 566 Cb -0.15 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 3b8h s VAL 566 CO -0.04 0.54 -0.10 0.27 0.00 0.00 0.00 175.10 175.76 3b8h s ILE 567 N 0.36 1.52 0.57 2.22 -4.36 -0.77 -4.57 121.20 116.17 3b8h s ILE 567 Ca -0.14 -2.15 -0.19 0.00 -0.26 0.00 0.00 60.65 57.92 3b8h s ILE 567 Cb -0.17 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.39 3b8h s ILE 567 CO 0.07 -0.55 1.13 -2.84 0.24 0.00 0.00 174.94 172.99 3b8h s PRO 568 N -3.70 3.24 0.50 0.37 0.02 -1.26 0.01 135.00 134.17 3b8h s PRO 568 Ca 0.23 1.57 -0.08 0.00 0.02 0.00 0.00 61.00 62.74 3b8h s PRO 568 Cb 0.01 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 3b8h s PRO 568 CO 0.07 -0.93 0.84 0.45 -0.33 0.00 0.00 177.00 177.09 3b8h s SER 569 N -1.94 6.31 0.00 2.53 0.15 -0.34 -4.58 113.70 115.84 3b8h s SER 569 Ca 0.72 1.08 0.27 0.00 0.70 0.00 0.00 55.95 58.72 3b8h s SER 569 Cb -0.23 -2.31 0.88 0.00 -1.71 0.00 0.00 66.02 62.64 3b8h s SER 569 CO 0.30 -0.61 1.65 0.00 1.20 0.00 0.00 173.24 175.78 3b8h n ALA 570 N -2.18 2.57 -2.61 5.45 0.00 -1.26 -4.80 120.51 117.68 3b8h n ALA 570 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 3b8h n ALA 570 Cb 0.55 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.85 3b8h n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b8h s ILE 571 N -2.02 4.74 0.37 0.00 1.01 -1.26 -4.76 121.20 119.28 3b8h s ILE 571 Ca 0.36 1.19 -0.15 0.00 0.00 0.00 0.00 60.65 62.04 3b8h s ILE 571 Cb 0.21 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 3b8h s ILE 571 CO 0.33 -0.33 0.79 -2.16 0.00 0.00 0.00 174.94 173.58 3b8h s PRO 572 N 3.09 3.99 0.52 2.79 0.05 -1.26 -4.47 135.00 139.71 3b8h s PRO 572 Ca 0.34 0.72 -0.03 0.00 0.05 0.00 0.00 61.00 62.08 3b8h s PRO 572 Cb -0.14 -2.36 0.00 0.00 0.05 0.00 0.00 34.50 32.05 3b8h s PRO 572 CO 0.14 0.06 0.79 0.95 0.05 0.00 0.00 177.00 178.98 3b8h s THR 573 N -2.14 3.90 -0.35 1.26 -4.23 -1.26 -5.02 115.64 107.79 3b8h s THR 573 Ca 0.55 -0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 3b8h s THR 573 Cb -0.10 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.27 3b8h s THR 573 CO 0.20 -0.43 0.17 -0.62 -0.54 0.00 0.00 174.62 173.40 3b8h s ASP 574 N -4.25 5.56 0.55 3.99 -1.08 -1.26 -4.94 116.67 115.24 3b8h s ASP 574 Ca 0.51 -0.89 0.31 0.00 -0.52 0.00 0.00 52.55 51.96 3b8h s ASP 574 Cb -0.10 -1.98 1.61 0.00 -1.46 0.00 0.00 42.92 40.99 3b8h s ASP 574 CO 0.42 -0.32 2.11 1.55 0.52 0.00 0.00 175.17 179.46 3b8h h PRO 575 N 8.36 0.00 -0.60 4.34 0.13 -1.97 -2.46 132.00 139.81 3b8h h PRO 575 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3b8h h PRO 575 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3b8h h PRO 575 CO 0.64 0.08 0.00 0.54 -0.23 0.00 0.00 178.00 179.03 3b8h n ARG 576 N -3.48 2.82 -2.86 0.86 1.74 -1.26 -4.48 116.66 109.99 3b8h n ARG 576 Ca -0.02 -2.47 -0.11 0.00 -0.77 0.00 0.00 57.85 54.48 3b8h n ARG 576 Cb 0.22 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.22 3b8h n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b8h n ASN 577 N 1.23 -0.72 -4.65 0.55 2.85 -0.94 -5.10 115.26 108.49 3b8h n ASN 577 Ca 0.20 -3.13 -0.43 0.00 -0.11 0.00 0.00 54.58 51.12 3b8h n ASN 577 Cb 0.57 0.62 -0.02 0.00 1.24 0.00 0.00 39.78 42.18 3b8h n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3b8h s VAL 578 N -1.09 3.99 0.00 3.44 1.01 -1.17 -1.87 120.40 124.71 3b8h s VAL 578 Ca 0.28 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3b8h s VAL 578 Cb 0.35 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.89 3b8h s VAL 578 CO -0.05 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3b8h n GLY 579 N 4.03 1.62 3.80 4.51 0.00 -1.26 -5.09 105.19 112.80 3b8h n GLY 579 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3b8h n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b8h s GLY 580 N -2.18 1.63 0.27 -0.02 0.00 -0.78 -5.05 107.32 101.19 3b8h s GLY 580 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 3b8h s GLY 580 CO 0.00 0.25 0.57 0.99 0.00 0.00 0.00 173.10 174.90 3b8h s ASP 581 N -3.88 6.54 0.06 1.64 1.11 -1.26 -4.90 116.67 115.98 3b8h s ASP 581 Ca 0.61 0.85 -0.30 0.00 0.18 0.00 0.00 52.55 53.88 3b8h s ASP 581 Cb -0.14 -2.20 -0.09 0.00 1.07 0.00 0.00 42.92 41.56 3b8h s ASP 581 CO 0.54 -0.15 1.78 -0.22 1.18 0.00 0.00 175.17 178.30 3b8h s LEU 582 N -3.21 4.39 -0.42 1.23 2.96 -1.26 -4.96 118.68 117.41 3b8h s LEU 582 Ca 0.46 2.58 -0.26 0.00 -0.22 0.00 0.00 54.13 56.69 3b8h s LEU 582 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3b8h s LEU 582 CO 0.26 -0.97 0.96 -0.62 -1.32 0.00 0.00 176.35 174.66 3b8h s ASP 583 N 3.11 6.60 0.54 3.68 2.15 -1.26 -4.93 116.67 126.58 3b8h s ASP 583 Ca 0.79 0.38 0.37 0.00 0.43 0.00 0.00 52.55 54.53 3b8h s ASP 583 Cb -0.41 -2.47 1.55 0.00 -0.30 0.00 0.00 42.92 41.28 3b8h s ASP 583 CO 0.35 -1.00 1.80 1.55 -0.17 0.00 0.00 175.17 177.71 3b8h h PRO 584 N 8.83 0.00 0.00 4.34 0.13 -1.97 0.41 132.00 143.73 3b8h h PRO 584 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3b8h h PRO 584 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3b8h h PRO 584 CO 1.02 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.66 3b8h n SER 585 N -4.16 0.00 -0.71 1.44 3.41 -1.26 -1.88 113.62 110.45 3b8h n SER 585 Ca 0.25 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3b8h n SER 585 Cb 1.25 -0.47 0.33 0.00 -0.26 0.00 0.00 64.21 65.06 3b8h n SER 585 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b8h n SER 586 N -1.47 2.21 -4.59 4.04 3.41 0.14 -4.82 113.62 112.55 3b8h n SER 586 Ca 0.06 -1.74 -0.42 0.00 -0.26 0.00 0.00 58.87 56.51 3b8h n SER 586 Cb 0.23 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 3b8h n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b8h s ILE 587 N -1.95 4.84 0.06 -1.33 1.01 -0.79 -4.61 121.20 118.42 3b8h s ILE 587 Ca 0.34 0.86 -0.33 0.00 0.00 0.00 0.00 60.65 61.51 3b8h s ILE 587 Cb 0.20 -4.11 -0.12 0.00 0.01 0.00 0.00 42.46 38.44 3b8h s ILE 587 CO 0.31 -0.29 1.75 -2.65 0.00 0.00 0.00 174.94 174.06 3b8h n PRO 588 N 6.14 2.30 -0.14 2.79 -0.02 -1.26 -4.84 135.00 139.97 3b8h n PRO 588 Ca 0.01 0.84 0.22 0.00 -2.02 0.00 0.00 63.50 62.55 3b8h n PRO 588 Cb 0.48 -2.66 0.64 0.00 -0.02 0.00 0.00 33.50 31.94 3b8h n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b8h h ASP 589 N 7.70 0.14 1.18 2.55 3.32 -1.95 0.41 116.42 129.77 3b8h h ASP 589 Ca -0.47 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3b8h h ASP 589 Cb 1.25 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3b8h h ASP 589 CO 0.92 0.06 -0.33 0.11 -1.72 0.00 0.00 179.24 178.29 3b8h h LYS 590 N 0.15 0.00 0.18 3.56 1.57 -2.00 -2.54 116.57 117.49 3b8h h LYS 590 Ca 0.38 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.84 3b8h h LYS 590 Cb 1.26 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.60 3b8h h LYS 590 CO -0.06 0.33 -1.35 1.49 -0.57 0.00 0.00 179.45 179.28 3b8h h GLU 591 N 0.00 0.52 -0.56 3.15 4.81 -1.30 -3.24 114.58 117.97 3b8h h GLU 591 Ca -0.00 -0.81 0.08 0.00 -0.13 0.00 0.00 59.36 58.49 3b8h h GLU 591 Cb 1.00 0.29 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 3b8h h GLU 591 CO 0.04 1.38 0.37 0.37 -0.73 0.00 0.00 179.01 180.44 3b8h h GLN 592 N 0.18 0.42 0.00 1.92 5.75 -1.29 -1.81 115.11 120.28 3b8h h GLN 592 Ca -0.21 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 3b8h h GLN 592 Cb 2.04 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 30.49 3b8h h GLN 592 CO 0.25 0.28 -0.04 0.00 -2.65 0.00 0.00 178.83 176.67 3b8h h ALA 593 N 1.71 1.01 -0.25 3.38 0.00 -1.48 -2.87 119.26 120.76 3b8h h ALA 593 Ca 0.25 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3b8h h ALA 593 Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3b8h h ALA 593 CO -0.07 0.05 -0.03 0.44 0.00 0.00 0.00 179.25 179.64 3b8h n ILE 594 N -3.15 2.32 -1.08 0.00 -5.35 -0.69 -4.68 119.36 106.72 3b8h n ILE 594 Ca 0.00 -2.21 0.09 0.00 -0.27 0.00 0.00 62.75 60.36 3b8h n ILE 594 Cb 0.31 -0.27 0.18 0.00 -1.74 0.00 0.00 39.64 38.12 3b8h n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b8h n SER 595 N -0.83 2.81 -4.77 7.28 7.64 -1.08 -4.97 113.62 119.69 3b8h n SER 595 Ca 0.24 -3.12 -0.38 0.00 1.01 0.00 0.00 58.87 56.62 3b8h n SER 595 Cb 0.90 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 3b8h n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b8h s ALA 596 N -2.89 3.10 0.12 -0.43 0.00 -1.26 -5.01 121.76 115.38 3b8h s ALA 596 Ca 0.36 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3b8h s ALA 596 Cb 0.31 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3b8h s ALA 596 CO 0.04 -0.70 0.28 -0.51 0.00 0.00 0.00 175.76 174.87 3b8h s LEU 597 N -2.70 4.32 0.90 0.00 1.43 -1.26 -4.84 118.68 116.53 3b8h s LEU 597 Ca 0.60 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 3b8h s LEU 597 Cb -0.33 -3.01 0.13 0.00 0.03 0.00 0.00 46.19 43.01 3b8h s LEU 597 CO 0.41 0.09 1.10 -2.84 0.23 0.00 0.00 176.35 175.34 3b8h s PRO 598 N -2.86 1.21 -0.25 1.29 0.02 -1.26 -4.98 135.00 128.17 3b8h s PRO 598 Ca 0.36 1.17 -0.22 0.00 0.02 0.00 0.00 61.00 62.33 3b8h s PRO 598 Cb -0.12 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3b8h s PRO 598 CO 0.28 -2.37 0.72 0.34 -0.33 0.00 0.00 177.00 175.63 3b8h s ASP 599 N -3.05 6.68 0.23 2.53 -1.08 -1.26 -5.05 116.67 115.67 3b8h s ASP 599 Ca 0.64 0.83 -0.09 0.00 -0.52 0.00 0.00 52.55 53.41 3b8h s ASP 599 Cb -0.20 -2.38 -0.07 0.00 -1.46 0.00 0.00 42.92 38.81 3b8h s ASP 599 CO 0.58 -0.45 0.55 -0.31 0.52 0.00 0.00 175.17 176.06 3b8h s TYR 600 N 2.67 3.43 0.25 -5.34 2.02 -1.26 -5.06 117.35 114.06 3b8h s TYR 600 Ca 0.30 0.86 -0.30 0.00 -0.37 0.00 0.00 57.07 57.57 3b8h s TYR 600 Cb -0.15 -2.25 -0.09 0.00 -0.40 0.00 0.00 41.96 39.07 3b8h s TYR 600 CO 0.08 0.27 1.08 0.00 -1.57 0.00 0.00 175.55 175.41 3b8h s ALA 601 N -1.82 3.39 -1.54 3.71 0.00 -1.02 -4.67 121.76 119.82 3b8h s ALA 601 Ca 0.47 0.84 0.23 0.00 0.00 0.00 0.00 51.96 53.50 3b8h s ALA 601 Cb -0.11 -3.32 0.10 0.00 0.00 0.00 0.00 23.12 19.80 3b8h s ALA 601 CO 0.21 -0.12 1.14 0.43 0.00 0.00 0.00 175.76 177.43 3b8h n SER 602 N 1.52 1.36 -4.17 0.00 7.64 -1.26 -0.79 113.62 117.92 3b8h n SER 602 Ca -0.00 -1.10 -0.21 0.00 1.01 0.00 0.00 58.87 58.56 3b8h n SER 602 Cb 0.45 0.56 -0.13 0.00 -1.01 0.00 0.00 64.21 64.09 3b8h n SER 602 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3b8h s GLN 603 N -2.71 0.99 0.97 1.43 -1.52 -1.26 -4.91 119.66 112.65 3b8h s GLN 603 Ca 0.15 -0.84 -0.11 0.00 -1.95 0.00 0.00 55.36 52.61 3b8h s GLN 603 Cb 0.18 -1.04 0.17 0.00 -0.22 0.00 0.00 33.01 32.10 3b8h s GLN 603 CO 0.67 0.25 1.10 -1.25 -0.25 0.00 0.00 175.29 175.82 3b8h s PRO 604 N -1.29 0.62 0.00 2.91 0.04 -1.26 -5.03 135.00 130.98 3b8h s PRO 604 Ca 0.02 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.48 3b8h s PRO 604 Cb -0.08 -1.70 1.17 0.00 0.04 0.00 0.00 34.50 33.92 3b8h s PRO 604 CO 0.02 -2.80 1.56 0.41 0.04 0.00 0.00 177.00 176.22