#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b78 n PHE 400 N 0.00 0.00 1.31 0.00 3.72 -1.26 -4.77 117.46 116.46 3b78 n PHE 400 Ca 0.00 -0.49 0.13 0.00 -0.05 0.00 0.00 57.45 57.04 3b78 n PHE 400 Cb 0.00 -0.08 0.37 0.00 -0.94 0.00 0.00 39.48 38.83 3b78 n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3b78 n LEU 401 N -0.66 1.84 0.00 4.37 4.77 -1.26 -4.75 117.00 121.31 3b78 n LEU 401 Ca 0.06 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 3b78 n LEU 401 Cb 0.54 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3b78 n LEU 401 CO 0.00 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3b78 n GLY 402 N 1.26 -1.69 3.89 -0.72 0.00 -1.26 -4.78 105.19 101.88 3b78 n GLY 402 Ca 0.16 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3b78 n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b78 s ASP 403 N -4.00 6.36 0.00 1.61 -0.00 -1.26 -5.02 116.67 114.36 3b78 s ASP 403 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 52.55 52.94 3b78 s ASP 403 Cb 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 42.92 40.90 3b78 s ASP 403 CO 0.00 0.31 0.00 0.61 -0.00 0.00 0.00 175.17 176.09 3b78 n GLY 404 N 1.31 0.48 3.22 0.21 0.00 -1.26 -4.93 105.19 104.21 3b78 n GLY 404 Ca -0.14 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 3b78 n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 405 N 0.00 -1.66 3.69 -0.02 0.00 -1.26 -4.99 105.19 100.95 3b78 n GLY 405 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3b78 n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b78 s ASP 406 N -4.94 6.82 0.01 1.61 -0.00 -1.26 -4.94 116.67 113.97 3b78 s ASP 406 Ca 0.63 2.13 -0.28 0.00 -0.00 0.00 0.00 52.55 55.03 3b78 s ASP 406 Cb -0.02 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.30 3b78 s ASP 406 CO 0.45 -0.75 0.91 -0.69 -0.00 0.00 0.00 175.17 175.09 3b78 s VAL 407 N 2.56 4.83 0.07 -1.27 1.01 -1.26 -4.57 120.40 121.77 3b78 s VAL 407 Ca 0.65 1.91 -0.03 0.00 0.00 0.00 0.00 61.98 64.52 3b78 s VAL 407 Cb -0.32 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 3b78 s VAL 407 CO 0.27 0.22 0.02 -0.94 0.00 0.00 0.00 175.10 174.67 3b78 s SER 408 N 0.72 0.40 -0.09 3.32 1.04 -1.21 -4.98 113.70 112.89 3b78 s SER 408 Ca 0.47 -0.94 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 3b78 s SER 408 Cb -0.21 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 3b78 s SER 408 CO 0.26 -0.64 -0.01 -0.36 0.98 0.00 0.00 173.24 173.47 3b78 s PHE 409 N -3.92 3.12 0.13 5.02 0.08 -1.26 -0.41 117.98 120.73 3b78 s PHE 409 Ca 0.08 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 3b78 s PHE 409 Cb 0.07 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 3b78 s PHE 409 CO -0.09 0.38 0.33 0.45 -0.10 0.00 0.00 175.22 176.19 3b78 s SER 410 N -0.68 -0.08 0.43 1.36 0.15 -1.20 -4.96 113.70 108.72 3b78 s SER 410 Ca 0.11 -0.52 0.10 0.00 0.70 0.00 0.00 55.95 56.33 3b78 s SER 410 Cb -0.12 0.43 0.95 0.00 -1.71 0.00 0.00 66.02 65.58 3b78 s SER 410 CO 0.02 -0.84 2.04 0.74 1.20 0.00 0.00 173.24 176.41 3b78 h THR 411 N 2.50 1.03 0.00 6.45 2.02 -1.93 -0.58 112.91 122.39 3b78 h THR 411 Ca -0.33 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3b78 h THR 411 Cb 1.23 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3b78 h THR 411 CO 0.49 0.08 0.00 0.54 0.37 0.00 0.00 175.52 177.01 3b78 n ARG 412 N -4.48 0.09 0.00 6.66 1.74 -1.26 -4.58 116.66 114.83 3b78 n ARG 412 Ca 0.05 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 3b78 n ARG 412 Cb 0.16 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3b78 n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 413 N 0.70 2.61 3.67 -0.13 0.00 -0.23 -5.02 105.19 106.80 3b78 n GLY 413 Ca 0.07 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.56 3b78 n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b78 s THR 414 N -2.21 3.49 0.26 2.61 2.01 -1.26 -3.21 115.64 117.33 3b78 s THR 414 Ca 0.00 0.76 -0.29 0.00 0.31 0.00 0.00 61.69 62.47 3b78 s THR 414 Cb 0.00 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 3b78 s THR 414 CO 0.00 -0.04 0.96 -1.10 -0.69 0.00 0.00 174.62 173.76 3b78 s GLN 415 N 3.28 4.77 -1.33 4.92 -1.52 0.45 -3.97 119.66 126.26 3b78 s GLN 415 Ca 0.71 1.50 -0.05 0.00 -1.95 0.00 0.00 55.36 55.57 3b78 s GLN 415 Cb -0.34 -3.17 0.02 0.00 -0.22 0.00 0.00 33.01 29.30 3b78 s GLN 415 CO 0.29 0.43 0.98 0.09 -0.25 0.00 0.00 175.29 176.83 3b78 n ASN 416 N 1.26 -3.56 -3.42 5.90 3.02 -1.26 -3.35 115.26 113.85 3b78 n ASN 416 Ca -0.01 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.64 3b78 n ASN 416 Cb 0.47 -4.63 -0.10 0.00 -0.61 0.00 0.00 39.78 34.91 3b78 n ASN 416 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3b78 s TRP 417 N -3.41 0.13 0.41 3.10 -0.11 -1.25 -4.68 118.94 113.13 3b78 s TRP 417 Ca 0.29 -1.07 0.04 0.00 1.22 0.00 0.00 56.10 56.57 3b78 s TRP 417 Cb -0.13 -0.65 -0.00 0.00 -1.50 0.00 0.00 33.47 31.19 3b78 s TRP 417 CO 0.77 -0.90 0.59 0.95 -4.62 0.00 0.00 176.95 173.74 3b78 s THR 418 N 1.45 3.85 0.26 5.86 -4.23 -1.26 -4.93 115.64 116.64 3b78 s THR 418 Ca 0.16 -0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 59.89 3b78 s THR 418 Cb -0.18 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.54 3b78 s THR 418 CO -0.08 -0.21 1.87 0.58 -0.54 0.00 0.00 174.62 176.24 3b78 h VAL 419 N 0.59 1.05 -0.37 2.29 2.07 -1.98 -1.38 116.25 118.52 3b78 h VAL 419 Ca -0.45 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3b78 h VAL 419 Cb 1.26 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3b78 h VAL 419 CO 0.54 0.20 0.21 -0.33 0.02 0.00 0.00 177.57 178.22 3b78 h GLU 420 N 1.10 0.52 -0.39 1.57 3.07 -1.99 -0.63 114.58 117.82 3b78 h GLU 420 Ca 0.43 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.19 3b78 h GLU 420 Cb 0.23 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3b78 h GLU 420 CO -0.19 0.41 0.05 -0.09 -1.40 0.00 0.00 179.01 177.79 3b78 h ARG 421 N 0.48 0.59 -0.44 2.33 2.43 -1.79 -2.30 114.38 115.68 3b78 h ARG 421 Ca 0.13 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3b78 h ARG 421 Cb 0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 3b78 h ARG 421 CO -0.02 0.58 0.17 1.25 -1.51 0.00 0.00 179.97 180.44 3b78 h LEU 422 N 0.57 0.62 -1.69 3.80 5.85 -0.70 -1.24 115.31 122.52 3b78 h LEU 422 Ca 0.13 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3b78 h LEU 422 Cb 0.29 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3b78 h LEU 422 CO 0.00 0.63 0.22 -0.07 -0.34 0.00 0.00 178.44 178.88 3b78 h LEU 423 N 0.57 0.36 -0.04 2.25 3.38 -0.63 0.24 115.31 121.44 3b78 h LEU 423 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 3b78 h LEU 423 Cb 0.21 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3b78 h LEU 423 CO -0.01 0.26 -0.42 -0.61 0.09 0.00 0.00 178.44 177.75 3b78 h GLN 424 N 0.43 0.36 -0.75 1.13 4.15 -1.14 -2.53 115.11 116.76 3b78 h GLN 424 Ca 0.12 -0.33 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 3b78 h GLN 424 Cb -0.02 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3b78 h GLN 424 CO -0.03 0.99 0.30 0.00 -1.93 0.00 0.00 178.83 178.16 3b78 h ALA 425 N 0.37 0.98 -0.12 3.38 0.00 -0.67 -1.53 119.26 121.67 3b78 h ALA 425 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3b78 h ALA 425 Cb 1.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3b78 h ALA 425 CO 0.09 0.61 0.04 1.25 0.00 0.00 0.00 179.25 181.24 3b78 h HIS 426 N 1.09 0.19 -0.17 0.00 -0.00 -0.62 -2.04 115.15 113.60 3b78 h HIS 426 Ca 0.25 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.62 3b78 h HIS 426 Cb 0.22 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 3b78 h HIS 426 CO 0.02 0.31 0.07 -0.09 -0.00 0.00 0.00 177.93 178.24 3b78 h ARG 427 N 0.02 0.16 0.00 5.26 2.43 -1.30 -1.94 114.38 119.00 3b78 h ARG 427 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3b78 h ARG 427 Cb 0.21 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3b78 h ARG 427 CO -0.00 0.11 -0.07 1.96 -1.51 0.00 0.00 179.97 180.45 3b78 h GLN 428 N 0.16 0.00 -0.02 0.20 4.20 -1.26 -0.78 115.11 117.62 3b78 h GLN 428 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3b78 h GLN 428 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3b78 h GLN 428 CO -0.06 0.07 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.06 3b78 h LEU 429 N 0.00 0.06 -1.30 1.46 3.38 -0.64 -3.16 115.31 115.11 3b78 h LEU 429 Ca -0.00 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3b78 h LEU 429 Cb 0.29 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3b78 h LEU 429 CO 0.01 0.62 0.24 -0.33 0.09 0.00 0.00 178.44 179.07 3b78 h GLU 430 N -0.49 0.73 0.00 1.13 5.08 -0.88 -1.28 114.58 118.86 3b78 h GLU 430 Ca 0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3b78 h GLU 430 Cb 0.61 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3b78 h GLU 430 CO 0.01 0.57 0.00 0.39 -1.00 0.00 0.00 179.01 178.98 3b78 n GLU 431 N -4.37 0.17 -0.27 2.33 1.02 -0.35 -1.73 120.64 117.44 3b78 n GLU 431 Ca 0.04 0.54 0.07 0.00 -0.02 0.00 0.00 57.16 57.79 3b78 n GLU 431 Cb 0.13 -1.93 0.19 0.00 -0.02 0.00 0.00 31.44 29.81 3b78 n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 432 N -2.27 2.64 -1.64 3.49 1.74 -0.57 -4.97 116.66 115.09 3b78 n ARG 432 Ca 0.00 -2.47 0.00 0.00 -0.77 0.00 0.00 57.85 54.61 3b78 n ARG 432 Cb 0.13 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3b78 n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 433 N -0.41 0.51 3.76 -0.13 0.00 -0.71 -4.98 105.19 103.22 3b78 n GLY 433 Ca 0.16 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3b78 n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 434 N -2.00 3.13 -0.00 1.61 1.51 -0.71 -0.37 117.35 120.51 3b78 s TYR 434 Ca 0.00 0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 3b78 s TYR 434 Cb 0.00 -1.58 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 3b78 s TYR 434 CO 0.00 0.51 -0.09 0.54 -1.11 0.00 0.00 175.55 175.41 3b78 s VAL 435 N -1.42 0.67 0.10 0.71 0.11 0.39 -3.81 120.40 117.16 3b78 s VAL 435 Ca 0.29 -0.41 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3b78 s VAL 435 Cb -0.12 -0.57 -0.06 0.00 -1.53 0.00 0.00 36.38 34.10 3b78 s VAL 435 CO 0.21 0.16 1.17 0.12 -3.33 0.00 0.00 175.10 173.43 3b78 s PHE 436 N -0.27 3.48 0.00 1.54 5.36 -1.26 -1.25 117.98 125.58 3b78 s PHE 436 Ca 0.03 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 3b78 s PHE 436 Cb -0.04 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 3b78 s PHE 436 CO -0.00 -1.06 0.23 1.33 -1.46 0.00 0.00 175.22 174.26 3b78 n VAL 437 N 3.40 0.00 -1.07 3.12 0.24 -0.32 -4.34 118.33 119.36 3b78 n VAL 437 Ca 0.07 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 3b78 n VAL 437 Cb 0.46 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.00 3b78 n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b78 n GLY 438 N 0.27 -0.39 3.72 7.63 0.00 -1.23 -4.56 105.19 110.62 3b78 n GLY 438 Ca 0.00 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 3b78 n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3b78 s TYR 439 N -2.04 3.05 -0.11 1.61 2.02 0.23 -0.85 117.35 121.26 3b78 s TYR 439 Ca 0.00 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.69 3b78 s TYR 439 Cb 0.00 -1.55 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 3b78 s TYR 439 CO 0.00 0.50 -0.05 -1.58 -1.57 0.00 0.00 175.55 172.84 3b78 s HIS 440 N -1.37 1.28 -0.14 2.71 5.65 -0.17 -0.41 115.29 122.84 3b78 s HIS 440 Ca 0.27 -0.62 -0.10 0.00 0.25 0.00 0.00 55.06 54.86 3b78 s HIS 440 Cb -0.12 -1.13 -0.05 0.00 -1.18 0.00 0.00 32.58 30.11 3b78 s HIS 440 CO 0.20 -0.48 0.19 0.20 -0.65 0.00 0.00 174.74 174.20 3b78 s GLY 441 N 1.77 2.16 0.37 1.59 0.00 -1.22 -0.88 107.32 111.11 3b78 s GLY 441 Ca 0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 3b78 s GLY 441 CO -0.07 -0.02 0.71 -0.37 0.00 0.00 0.00 173.10 173.35 3b78 n THR 442 N 2.76 0.00 -2.07 0.90 5.66 -1.09 -4.14 114.28 116.30 3b78 n THR 442 Ca -0.17 -1.06 -0.28 0.00 -3.05 0.00 0.00 64.05 59.49 3b78 n THR 442 Cb 0.53 0.96 0.06 0.00 -1.55 0.00 0.00 70.33 70.33 3b78 n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3b78 s PHE 443 N -2.57 3.14 0.11 1.09 -0.71 -1.26 -1.27 117.98 116.51 3b78 s PHE 443 Ca 0.17 0.76 -0.24 0.00 -1.04 0.00 0.00 56.93 56.59 3b78 s PHE 443 Cb -0.04 -3.12 -0.07 0.00 -1.21 0.00 0.00 43.02 38.58 3b78 s PHE 443 CO 0.13 -1.29 1.68 -0.07 -1.34 0.00 0.00 175.22 174.33 3b78 h LEU 444 N -0.63 -0.39 -1.33 -1.99 3.38 -1.89 -1.08 115.31 111.38 3b78 h LEU 444 Ca -0.45 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 3b78 h LEU 444 Cb 1.28 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3b78 h LEU 444 CO 0.63 -0.19 -0.05 -0.33 0.09 0.00 0.00 178.44 178.59 3b78 h GLU 445 N -0.22 0.39 -0.52 1.13 3.07 -1.94 -1.31 114.58 115.18 3b78 h GLU 445 Ca 0.05 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3b78 h GLU 445 Cb 0.28 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3b78 h GLU 445 CO -0.14 0.46 -0.09 0.00 -1.40 0.00 0.00 179.01 177.84 3b78 h ALA 446 N 1.58 0.85 -0.56 3.43 0.00 -1.81 -1.51 119.26 121.25 3b78 h ALA 446 Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3b78 h ALA 446 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3b78 h ALA 446 CO 0.01 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.13 3b78 h ALA 447 N 1.03 0.72 -0.73 0.00 0.00 -0.39 0.86 119.26 120.75 3b78 h ALA 447 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3b78 h ALA 447 Cb 0.63 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3b78 h ALA 447 CO 0.04 0.34 0.44 0.37 0.00 0.00 0.00 179.25 180.44 3b78 h GLN 448 N 0.76 1.00 -0.27 0.00 5.75 -1.14 -1.18 115.11 120.03 3b78 h GLN 448 Ca 0.18 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.57 3b78 h GLN 448 Cb 0.21 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 3b78 h GLN 448 CO -0.01 0.72 0.10 1.03 -2.65 0.00 0.00 178.83 178.01 3b78 h SER 449 N 1.01 0.39 -0.31 -0.69 0.87 -0.83 -2.45 113.55 111.52 3b78 h SER 449 Ca 0.26 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.54 3b78 h SER 449 Cb -0.02 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3b78 h SER 449 CO -0.05 0.47 -0.17 0.40 -0.53 0.00 0.00 176.83 176.95 3b78 h ILE 450 N 0.29 1.29 -0.05 2.23 2.04 -0.65 0.12 117.51 122.78 3b78 h ILE 450 Ca 0.09 -1.29 -0.22 0.00 1.00 0.00 0.00 64.86 64.44 3b78 h ILE 450 Cb 0.21 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3b78 h ILE 450 CO -0.01 0.42 -0.86 0.58 0.00 0.00 0.00 178.15 178.28 3b78 h VAL 451 N 0.43 1.35 0.00 1.67 2.07 -1.25 -1.95 116.25 118.58 3b78 h VAL 451 Ca 0.07 -2.24 -0.14 0.00 0.82 0.00 0.00 66.70 65.21 3b78 h VAL 451 Cb 0.71 2.23 -0.03 0.00 -1.52 0.00 0.00 31.29 32.69 3b78 h VAL 451 CO 0.05 0.68 -1.99 0.49 0.02 0.00 0.00 177.57 176.82 3b78 n PHE 452 N -3.82 0.00 0.04 1.57 3.01 -0.92 -4.52 117.46 112.81 3b78 n PHE 452 Ca -0.07 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.47 3b78 n PHE 452 Cb 0.79 -0.61 -0.12 0.00 -0.01 0.00 0.00 39.48 39.53 3b78 n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3b78 n GLY 453 N 1.68 -0.70 0.00 1.37 0.00 0.38 -5.07 105.19 102.85 3b78 n GLY 453 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3b78 n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 454 N 1.59 0.24 3.70 -0.02 0.00 -0.73 -4.92 105.19 105.05 3b78 n GLY 454 Ca -0.02 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3b78 n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b78 s VAL 455 N -2.94 2.94 -0.03 1.61 1.01 -1.25 -4.49 120.40 117.24 3b78 s VAL 455 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3b78 s VAL 455 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.04 3b78 s VAL 455 CO 0.00 0.01 -0.14 -0.13 0.00 0.00 0.00 175.10 174.85 3b78 s ARG 456 N 2.04 1.38 0.46 2.72 1.81 -1.26 -4.37 118.95 121.73 3b78 s ARG 456 Ca 0.72 -0.48 -0.24 0.00 -1.72 0.00 0.00 55.73 54.00 3b78 s ARG 456 Cb -0.41 -1.25 -0.08 0.00 -0.45 0.00 0.00 34.95 32.76 3b78 s ARG 456 CO 0.32 0.21 1.32 0.00 -0.68 0.00 0.00 175.30 176.46 3b78 n ALA 457 N 3.13 1.51 -3.18 2.13 0.00 -1.26 -5.01 120.51 117.82 3b78 n ALA 457 Ca -0.17 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3b78 n ALA 457 Cb 0.54 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 3b78 n ALA 457 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3b78 s ARG 458 N -2.43 1.13 0.01 0.00 1.70 -1.26 -5.13 118.95 112.97 3b78 s ARG 458 Ca 0.64 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 3b78 s ARG 458 Cb -0.47 0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 34.36 3b78 s ARG 458 CO 0.56 -0.46 1.35 0.45 -1.08 0.00 0.00 175.30 176.12 3b78 s SER 459 N -2.66 6.90 0.18 -2.89 0.15 -1.26 -4.97 113.70 109.15 3b78 s SER 459 Ca 0.01 2.08 0.09 0.00 0.70 0.00 0.00 55.95 58.83 3b78 s SER 459 Cb 0.01 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 3b78 s SER 459 CO -0.11 -0.67 -0.18 0.00 1.20 0.00 0.00 173.24 173.49 3b78 s GLN 460 N 2.09 1.31 -1.30 5.44 -2.07 -1.26 -5.07 119.66 118.80 3b78 s GLN 460 Ca 0.62 -1.46 -0.15 0.00 -1.82 0.00 0.00 55.36 52.56 3b78 s GLN 460 Cb -0.31 -1.32 0.11 0.00 -1.09 0.00 0.00 33.01 30.41 3b78 s GLN 460 CO 0.26 0.26 1.74 -3.47 -1.32 0.00 0.00 175.29 172.77 3b78 n ASP 461 N 0.12 4.88 -1.43 12.60 -0.08 -1.26 -4.85 116.55 126.54 3b78 n ASP 461 Ca -0.12 -2.95 -0.02 0.00 -1.51 0.00 0.00 54.79 50.19 3b78 n ASP 461 Cb 0.58 -1.64 0.01 0.00 2.34 0.00 0.00 41.12 42.41 3b78 n ASP 461 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3b78 n LEU 462 N 6.47 0.00 -4.75 -2.67 -0.00 -1.26 -5.14 117.00 109.65 3b78 n LEU 462 Ca 0.44 -0.62 -0.41 0.00 -0.00 0.00 0.00 56.01 55.42 3b78 n LEU 462 Cb 0.42 0.92 -0.04 0.00 -0.00 0.00 0.00 43.42 44.73 3b78 n LEU 462 CO 0.75 -0.21 0.82 -0.62 -0.00 0.00 0.00 177.39 178.13 3b78 s ASP 463 N -1.50 7.21 0.35 1.45 2.15 -1.26 -4.93 116.67 120.14 3b78 s ASP 463 Ca 0.04 2.26 0.13 0.00 0.43 0.00 0.00 52.55 55.41 3b78 s ASP 463 Cb -0.01 -2.62 0.95 0.00 -0.30 0.00 0.00 42.92 40.93 3b78 s ASP 463 CO 0.03 -0.22 1.77 0.00 -0.17 0.00 0.00 175.17 176.58 3b78 h ALA 464 N 4.24 1.96 0.00 3.66 0.00 -2.00 -1.57 119.26 125.55 3b78 h ALA 464 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3b78 h ALA 464 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3b78 h ALA 464 CO 0.69 -0.37 0.00 0.44 0.00 0.00 0.00 179.25 180.01 3b78 n ILE 465 N -4.73 0.80 -0.23 0.00 -5.35 -1.26 -2.36 119.36 106.24 3b78 n ILE 465 Ca 0.25 0.18 0.07 0.00 -0.27 0.00 0.00 62.75 62.98 3b78 n ILE 465 Cb 0.75 -1.10 0.19 0.00 -1.74 0.00 0.00 39.64 37.73 3b78 n ILE 465 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 3b78 n TRP 466 N -2.24 0.57 -2.10 4.28 7.02 -0.59 -4.03 117.44 120.34 3b78 n TRP 466 Ca 0.02 -0.51 -0.39 0.00 -1.02 0.00 0.00 57.50 55.61 3b78 n TRP 466 Cb 0.25 -0.03 -0.00 0.00 -2.42 0.00 0.00 31.31 29.11 3b78 n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 3b78 s ARG 467 N -1.04 3.83 0.00 -0.99 1.70 -0.99 -4.94 118.95 116.52 3b78 s ARG 467 Ca 0.28 2.03 0.00 0.00 -0.47 0.00 0.00 55.73 57.57 3b78 s ARG 467 Cb 0.15 -2.60 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 3b78 s ARG 467 CO 0.19 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.25 3b78 n GLY 468 N 0.62 -1.41 3.65 3.88 0.00 -1.26 -4.56 105.19 106.11 3b78 n GLY 468 Ca 0.05 -1.22 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3b78 n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3b78 s PHE 469 N -2.98 3.31 -0.22 1.61 5.36 -0.19 -4.91 117.98 119.96 3b78 s PHE 469 Ca 0.00 0.20 -0.09 0.00 -0.96 0.00 0.00 56.93 56.07 3b78 s PHE 469 Cb 0.00 -2.26 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 3b78 s PHE 469 CO 0.00 0.06 0.12 0.71 -1.46 0.00 0.00 175.22 174.65 3b78 s TYR 470 N 1.02 3.31 0.36 10.12 1.51 -1.26 -0.36 117.35 132.05 3b78 s TYR 470 Ca 0.07 0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.34 3b78 s TYR 470 Cb -0.13 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.49 3b78 s TYR 470 CO 0.04 0.11 0.14 0.96 -1.11 0.00 0.00 175.55 175.69 3b78 s ILE 471 N 0.77 0.53 -0.05 2.71 -4.36 0.18 -4.79 121.20 116.19 3b78 s ILE 471 Ca 0.06 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.42 3b78 s ILE 471 Cb -0.13 -2.46 0.02 0.00 1.25 0.00 0.00 42.46 41.14 3b78 s ILE 471 CO 0.02 0.00 0.12 0.00 0.24 0.00 0.00 174.94 175.32 3b78 s ALA 472 N -3.37 -0.24 0.19 2.27 0.00 0.45 -0.42 121.76 120.65 3b78 s ALA 472 Ca 0.30 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 3b78 s ALA 472 Cb 0.04 -0.28 0.11 0.00 0.00 0.00 0.00 23.12 22.99 3b78 s ALA 472 CO 0.17 -0.09 1.72 0.78 0.00 0.00 0.00 175.76 178.34 3b78 h GLY 473 N 6.51 1.18 -6.53 0.00 0.00 -1.80 0.67 103.07 103.10 3b78 h GLY 473 Ca -0.33 -0.71 -0.61 0.00 0.00 0.00 0.00 47.33 45.68 3b78 h GLY 473 CO 0.44 0.67 0.20 -0.35 0.00 0.00 0.00 176.54 177.49 3b78 s ASP 474 N -6.37 6.56 0.45 0.19 -1.08 -1.26 -4.64 116.67 110.51 3b78 s ASP 474 Ca -0.12 0.57 0.15 0.00 -0.52 0.00 0.00 52.55 52.63 3b78 s ASP 474 Cb 0.14 -2.35 1.09 0.00 -1.46 0.00 0.00 42.92 40.35 3b78 s ASP 474 CO 0.84 -0.47 1.99 1.55 0.52 0.00 0.00 175.17 179.60 3b78 h PRO 475 N 8.07 0.32 -0.99 4.34 0.13 -1.96 -1.87 132.00 140.04 3b78 h PRO 475 Ca -0.26 -0.02 0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3b78 h PRO 475 Cb 1.12 -0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.08 3b78 h PRO 475 CO 0.81 0.21 0.62 0.00 -0.23 0.00 0.00 178.00 179.41 3b78 h ALA 476 N 1.72 1.59 -0.10 -0.56 0.00 -1.95 0.49 119.26 120.45 3b78 h ALA 476 Ca 0.25 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3b78 h ALA 476 Cb 0.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3b78 h ALA 476 CO -0.06 0.13 -0.05 1.25 0.00 0.00 0.00 179.25 180.52 3b78 h LEU 477 N 0.91 0.22 -1.42 0.00 5.85 -1.73 -3.08 115.31 116.06 3b78 h LEU 477 Ca 0.51 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3b78 h LEU 477 Cb 0.61 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 3b78 h LEU 477 CO -0.28 0.58 -0.24 0.00 -0.34 0.00 0.00 178.44 178.16 3b78 h ALA 478 N 0.65 1.19 -0.92 1.25 0.00 -1.37 -2.99 119.26 117.05 3b78 h ALA 478 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3b78 h ALA 478 Cb 0.50 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3b78 h ALA 478 CO 0.01 0.30 0.59 -0.92 0.00 0.00 0.00 179.25 179.23 3b78 h TYR 479 N 0.00 1.09 0.00 0.00 5.03 0.05 -2.01 116.97 121.13 3b78 h TYR 479 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3b78 h TYR 479 Cb 0.60 -0.36 0.00 0.00 1.55 0.00 0.00 36.73 38.52 3b78 h TYR 479 CO 0.00 0.57 0.00 0.78 -1.32 0.00 0.00 178.16 178.19 3b78 h GLY 480 N 1.08 0.00 -1.55 1.82 0.00 -1.56 -1.00 103.07 101.86 3b78 h GLY 480 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3b78 h GLY 480 CO -0.16 0.00 -0.09 -1.72 0.00 0.00 0.00 176.54 174.57 3b78 n TYR 481 N -2.77 0.00 -2.05 5.60 4.01 -0.76 -4.72 117.16 116.48 3b78 n TYR 481 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3b78 n TYR 481 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3b78 n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3b78 n ALA 482 N 0.94 5.72 -3.64 -0.72 0.00 -0.38 -3.03 120.51 119.40 3b78 n ALA 482 Ca 0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 53.44 49.42 3b78 n ALA 482 Cb 0.51 -3.16 -0.01 0.00 0.00 0.00 0.00 19.45 16.79 3b78 n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3b78 s GLN 483 N 1.20 0.68 0.40 0.00 -2.07 -1.24 0.51 119.66 119.14 3b78 s GLN 483 Ca 0.45 -0.34 -0.27 0.00 -1.82 0.00 0.00 55.36 53.38 3b78 s GLN 483 Cb 0.12 0.26 -0.10 0.00 -1.09 0.00 0.00 33.01 32.20 3b78 s GLN 483 CO -0.04 -0.31 1.40 -0.51 -1.32 0.00 0.00 175.29 174.51 3b78 s ASP 484 N -2.75 6.25 -0.01 12.60 1.01 -0.39 -4.20 116.67 129.18 3b78 s ASP 484 Ca 0.11 2.87 0.20 0.00 0.71 0.00 0.00 52.55 56.44 3b78 s ASP 484 Cb 0.01 -2.65 -0.26 0.00 1.01 0.00 0.00 42.92 41.03 3b78 s ASP 484 CO -0.03 -0.92 0.64 0.00 0.21 0.00 0.00 175.17 175.08 3b78 n GLN 485 N 0.23 0.60 -4.15 8.23 1.13 -1.26 -4.87 117.38 117.29 3b78 n GLN 485 Ca 0.03 -0.09 -0.23 0.00 -1.94 0.00 0.00 57.00 54.77 3b78 n GLN 485 Cb 0.41 -1.44 -0.17 0.00 0.11 0.00 0.00 30.24 29.15 3b78 n GLN 485 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3b78 s GLU 486 N -3.10 1.15 0.68 -1.09 0.41 -1.26 -5.14 118.70 110.36 3b78 s GLU 486 Ca 0.00 -0.18 -0.14 0.00 -0.41 0.00 0.00 54.97 54.25 3b78 s GLU 486 Cb 0.14 -1.16 0.01 0.00 -1.78 0.00 0.00 34.13 31.34 3b78 s GLU 486 CO 0.81 -0.13 1.10 -1.25 -0.49 0.00 0.00 175.26 175.31 3b78 s PRO 487 N 1.19 2.70 0.00 0.39 0.04 -1.26 -4.90 135.00 133.16 3b78 s PRO 487 Ca -0.06 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3b78 s PRO 487 Cb -0.14 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3b78 s PRO 487 CO -0.02 -1.31 0.00 -0.40 0.04 0.00 0.00 177.00 175.31 3b78 n ASP 488 N -2.67 -0.03 0.23 6.66 5.75 -1.20 -4.83 116.55 120.47 3b78 n ASP 488 Ca 0.10 -0.35 0.06 0.00 -0.01 0.00 0.00 54.79 54.59 3b78 n ASP 488 Cb 0.52 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 41.16 3b78 n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3b78 h ALA 489 N -2.00 1.70 -0.02 2.12 0.00 -1.97 -2.47 119.26 116.62 3b78 h ALA 489 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3b78 h ALA 489 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3b78 h ALA 489 CO 0.00 0.19 -0.01 0.54 0.00 0.00 0.00 179.25 179.97 3b78 n ARG 490 N -4.29 1.86 -1.30 0.00 1.74 -1.26 -4.94 116.66 108.48 3b78 n ARG 490 Ca -0.02 -1.27 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 3b78 n ARG 490 Cb 0.22 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 3b78 n ARG 490 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b78 n GLY 491 N 1.24 0.38 3.68 -0.13 0.00 -0.93 -5.02 105.19 104.41 3b78 n GLY 491 Ca 0.17 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3b78 n GLY 491 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b78 s ARG 492 N -2.61 4.37 -0.36 1.61 3.00 -1.26 -4.79 118.95 118.92 3b78 s ARG 492 Ca 0.00 1.17 -0.01 0.00 -1.00 0.00 0.00 55.73 55.90 3b78 s ARG 492 Cb 0.00 -3.54 0.09 0.00 0.00 0.00 0.00 34.95 31.50 3b78 s ARG 492 CO 0.00 -0.27 0.10 0.42 0.00 0.00 0.00 175.30 175.54 3b78 s ILE 493 N 1.92 2.91 0.48 4.11 -1.09 -1.26 -3.27 121.20 125.00 3b78 s ILE 493 Ca 0.43 -1.93 -0.14 0.00 -2.23 0.00 0.00 60.65 56.78 3b78 s ILE 493 Cb -0.18 -2.93 -0.07 0.00 -1.58 0.00 0.00 42.46 37.71 3b78 s ILE 493 CO 0.16 -0.48 0.91 -0.13 -1.23 0.00 0.00 174.94 174.16 3b78 s ARG 494 N 1.11 3.85 0.48 2.79 0.52 -1.26 -4.87 118.95 121.58 3b78 s ARG 494 Ca 0.05 0.75 -0.20 0.00 -0.52 0.00 0.00 55.73 55.80 3b78 s ARG 494 Cb -0.21 -2.23 -0.09 0.00 0.52 0.00 0.00 34.95 32.94 3b78 s ARG 494 CO -0.04 -0.20 1.01 0.54 0.02 0.00 0.00 175.30 176.63 3b78 s ASN 495 N -3.20 6.46 0.00 0.23 4.22 -1.26 -1.26 114.94 120.12 3b78 s ASN 495 Ca 0.56 1.83 0.00 0.00 -2.14 0.00 0.00 52.86 53.11 3b78 s ASN 495 Cb -0.10 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.88 3b78 s ASN 495 CO 0.33 -0.70 0.00 0.61 -2.04 0.00 0.00 177.10 175.30 3b78 n GLY 496 N -0.51 1.90 3.33 0.45 0.00 0.18 -4.62 105.19 105.92 3b78 n GLY 496 Ca 0.08 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 3b78 n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b78 s ALA 497 N -2.98 -1.08 -0.07 4.61 0.00 -0.40 -4.62 121.76 117.22 3b78 s ALA 497 Ca 0.00 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.77 3b78 s ALA 497 Cb 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3b78 s ALA 497 CO 0.00 -0.23 0.68 -0.51 0.00 0.00 0.00 175.76 175.70 3b78 s LEU 498 N -0.25 4.32 0.01 0.00 1.43 -1.26 -2.66 118.68 120.27 3b78 s LEU 498 Ca -0.04 1.16 0.05 0.00 -1.03 0.00 0.00 54.13 54.27 3b78 s LEU 498 Cb -0.03 -3.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 3b78 s LEU 498 CO 0.02 -0.10 -0.15 -0.76 0.23 0.00 0.00 176.35 175.60 3b78 s LEU 499 N 0.74 2.75 -0.09 1.79 1.43 -0.06 -1.08 118.68 124.16 3b78 s LEU 499 Ca 0.36 -0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 3b78 s LEU 499 Cb -0.18 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 3b78 s LEU 499 CO 0.18 0.29 0.37 -0.13 0.23 0.00 0.00 176.35 177.28 3b78 s ARG 500 N -1.24 4.11 -0.17 1.70 0.52 0.11 -1.00 118.95 122.98 3b78 s ARG 500 Ca 0.14 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.61 3b78 s ARG 500 Cb -0.11 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 3b78 s ARG 500 CO 0.04 0.41 -0.07 0.08 0.02 0.00 0.00 175.30 175.79 3b78 s VAL 501 N -0.13 3.46 0.04 3.52 1.01 -0.03 -1.90 120.40 126.38 3b78 s VAL 501 Ca 0.21 -0.49 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3b78 s VAL 501 Cb -0.15 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3b78 s VAL 501 CO 0.09 0.48 -0.25 -0.31 0.00 0.00 0.00 175.10 175.10 3b78 s TYR 502 N 0.77 2.21 0.19 5.22 1.51 -0.28 -1.17 117.35 125.79 3b78 s TYR 502 Ca -0.03 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.70 3b78 s TYR 502 Cb -0.15 -1.32 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3b78 s TYR 502 CO 0.02 0.11 -0.15 0.14 -1.11 0.00 0.00 175.55 174.56 3b78 s VAL 503 N -0.80 1.68 0.34 0.71 -7.23 -0.38 -0.52 120.40 114.21 3b78 s VAL 503 Ca 0.11 -2.10 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3b78 s VAL 503 Cb -0.10 -1.94 -0.11 0.00 0.56 0.00 0.00 36.38 34.79 3b78 s VAL 503 CO 0.02 -0.53 1.48 -2.84 -0.31 0.00 0.00 175.10 172.92 3b78 s PRO 504 N -3.38 4.15 0.61 4.82 0.02 -1.26 -0.46 135.00 139.50 3b78 s PRO 504 Ca 0.19 2.51 0.34 0.00 0.02 0.00 0.00 61.00 64.06 3b78 s PRO 504 Cb -0.02 -3.00 1.96 0.00 0.02 0.00 0.00 34.50 33.45 3b78 s PRO 504 CO 0.06 -0.50 2.27 0.00 -0.33 0.00 0.00 177.00 178.49 3b78 h ARG 505 N 3.61 0.00 0.00 5.54 3.08 -1.03 -1.27 114.38 124.31 3b78 h ARG 505 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 3b78 h ARG 505 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3b78 h ARG 505 CO 0.69 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.47 3b78 n SER 506 N -3.59 0.32 -0.02 7.04 3.41 -1.26 -1.46 113.62 118.06 3b78 n SER 506 Ca -0.03 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 3b78 n SER 506 Cb 0.10 -0.67 -0.07 0.00 -0.26 0.00 0.00 64.21 63.31 3b78 n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b78 n SER 507 N -1.90 0.97 -0.30 4.04 3.41 -0.48 -4.46 113.62 114.91 3b78 n SER 507 Ca 0.00 -0.93 0.11 0.00 -0.26 0.00 0.00 58.87 57.79 3b78 n SER 507 Cb 0.08 0.89 0.33 0.00 -0.26 0.00 0.00 64.21 65.25 3b78 n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3b78 h LEU 508 N 0.09 0.74 -0.91 1.04 3.38 -1.38 -0.08 115.31 118.19 3b78 h LEU 508 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3b78 h LEU 508 Cb 0.51 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3b78 h LEU 508 CO 0.00 0.38 0.05 -2.65 0.09 0.00 0.00 178.44 176.31 3b78 n PRO 509 N -4.59 0.09 -0.46 1.13 -0.02 -1.26 -1.15 135.00 128.74 3b78 n PRO 509 Ca 0.18 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 3b78 n PRO 509 Cb 0.44 -1.85 0.34 0.00 -0.02 0.00 0.00 33.50 32.41 3b78 n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3b78 n GLY 510 N -1.35 2.60 3.65 -1.23 0.00 -0.04 -4.92 105.19 103.91 3b78 n GLY 510 Ca -0.01 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 3b78 n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3b78 s PHE 511 N -1.30 3.32 0.20 1.61 0.40 -0.30 -0.46 117.98 121.44 3b78 s PHE 511 Ca 0.50 0.32 0.08 0.00 -0.60 0.00 0.00 56.93 57.23 3b78 s PHE 511 Cb 0.28 -2.36 -0.05 0.00 0.51 0.00 0.00 43.02 41.40 3b78 s PHE 511 CO 0.30 0.01 -0.15 0.71 0.70 0.00 0.00 175.22 176.79 3b78 s TYR 512 N 1.25 1.72 0.12 0.36 1.51 -0.28 -2.50 117.35 119.53 3b78 s TYR 512 Ca 0.11 -0.57 0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3b78 s TYR 512 Cb -0.14 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 3b78 s TYR 512 CO 0.06 0.36 -0.12 -0.98 -1.11 0.00 0.00 175.55 173.76 3b78 s ARG 513 N -3.63 0.98 0.14 -0.62 1.70 -0.19 -1.05 118.95 116.29 3b78 s ARG 513 Ca 0.22 -1.24 -0.12 0.00 -0.47 0.00 0.00 55.73 54.12 3b78 s ARG 513 Cb -0.01 -0.77 0.01 0.00 -0.57 0.00 0.00 34.95 33.61 3b78 s ARG 513 CO 0.07 0.14 0.32 -0.08 -1.08 0.00 0.00 175.30 174.66 3b78 s THR 514 N -2.37 0.08 -0.31 4.99 -1.32 -0.05 -4.57 115.64 112.10 3b78 s THR 514 Ca 0.09 -1.03 0.22 0.00 -1.21 0.00 0.00 61.69 59.77 3b78 s THR 514 Cb -0.03 -1.48 -0.19 0.00 -1.51 0.00 0.00 72.50 69.29 3b78 s THR 514 CO 0.02 -0.38 0.79 -1.20 -2.21 0.00 0.00 174.62 171.64 3b78 n SER 515 N -0.19 0.44 -4.73 8.08 7.64 -1.26 -4.32 113.62 119.28 3b78 n SER 515 Ca -0.12 -0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.40 3b78 n SER 515 Cb 0.63 1.24 0.12 0.00 -1.01 0.00 0.00 64.21 65.19 3b78 n SER 515 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3b78 s LEU 516 N -4.44 2.65 -0.12 -3.43 1.43 -1.26 -4.65 118.68 108.85 3b78 s LEU 516 Ca -0.02 1.74 -0.25 0.00 -1.03 0.00 0.00 54.13 54.57 3b78 s LEU 516 Cb 0.13 -4.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.06 3b78 s LEU 516 CO 0.85 -2.47 0.82 -0.89 0.23 0.00 0.00 176.35 174.89 3b78 s THR 517 N -2.87 4.92 0.95 5.49 2.01 -1.26 -3.85 115.64 121.03 3b78 s THR 517 Ca 0.63 1.65 -0.14 0.00 0.31 0.00 0.00 61.69 64.14 3b78 s THR 517 Cb -0.18 -4.14 0.16 0.00 0.01 0.00 0.00 72.50 68.35 3b78 s THR 517 CO 0.57 0.10 1.17 -0.76 -0.69 0.00 0.00 174.62 175.00 3b78 s LEU 518 N 1.69 1.99 -1.59 4.42 1.43 -1.04 -3.87 118.68 121.71 3b78 s LEU 518 Ca 0.40 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 3b78 s LEU 518 Cb -0.17 -3.00 0.00 0.00 0.03 0.00 0.00 46.19 43.05 3b78 s LEU 518 CO 0.16 -2.75 0.00 0.00 0.23 0.00 0.00 176.35 173.99 3b78 n ALA 519 N -3.87 -0.23 -2.52 4.21 0.00 -1.26 -4.90 120.51 111.94 3b78 n ALA 519 Ca 0.09 0.24 -0.26 0.00 0.00 0.00 0.00 53.44 53.51 3b78 n ALA 519 Cb 0.59 -1.84 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 3b78 n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b78 s ALA 520 N -2.33 1.63 0.57 0.00 0.00 -1.25 -5.03 121.76 115.34 3b78 s ALA 520 Ca 0.00 -0.83 0.28 0.00 0.00 0.00 0.00 51.96 51.41 3b78 s ALA 520 Cb 0.00 -0.43 1.50 0.00 0.00 0.00 0.00 23.12 24.19 3b78 s ALA 520 CO 0.00 0.38 1.97 -1.00 0.00 0.00 0.00 175.76 177.11 3b78 h PRO 521 N 5.75 0.00 0.00 0.00 0.13 -1.93 -0.73 132.00 135.22 3b78 h PRO 521 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3b78 h PRO 521 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3b78 h PRO 521 CO 0.48 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.18 3b78 h GLU 522 N 0.00 0.00 0.00 0.86 3.07 -1.96 -3.17 114.58 113.38 3b78 h GLU 522 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3b78 h GLU 522 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3b78 h GLU 522 CO -0.00 0.00 -1.29 0.00 -1.40 0.00 0.00 179.01 176.32 3b78 n ALA 523 N -1.93 3.47 -0.37 3.43 0.00 -0.29 -4.49 120.51 120.33 3b78 n ALA 523 Ca 0.03 -0.45 0.06 0.00 0.00 0.00 0.00 53.44 53.07 3b78 n ALA 523 Cb 0.37 -0.61 0.22 0.00 0.00 0.00 0.00 19.45 19.43 3b78 n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3b78 h ALA 524 N 2.03 1.48 -0.27 0.00 0.00 -1.49 -1.31 119.26 119.70 3b78 h ALA 524 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3b78 h ALA 524 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3b78 h ALA 524 CO 0.00 0.31 0.01 0.78 0.00 0.00 0.00 179.25 180.35 3b78 h GLY 525 N 1.07 0.50 1.31 0.00 0.00 -1.79 -1.46 103.07 102.70 3b78 h GLY 525 Ca 0.48 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3b78 h GLY 525 CO -0.23 0.33 -0.07 -2.09 0.00 0.00 0.00 176.54 174.48 3b78 h GLU 526 N 0.26 0.82 -0.38 4.80 4.57 -1.72 -2.15 114.58 120.78 3b78 h GLU 526 Ca 0.08 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 57.91 3b78 h GLU 526 Cb 0.40 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3b78 h GLU 526 CO 0.01 0.87 -0.10 0.28 -1.18 0.00 0.00 179.01 178.89 3b78 h VAL 527 N 0.75 1.28 0.00 0.32 2.07 -1.19 -2.06 116.25 117.42 3b78 h VAL 527 Ca 0.13 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 3b78 h VAL 527 Cb 0.56 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3b78 h VAL 527 CO 0.03 0.40 -0.10 -0.33 0.02 0.00 0.00 177.57 177.59 3b78 h GLU 528 N 0.54 0.00 -0.02 1.57 5.08 -1.12 -1.74 114.58 118.88 3b78 h GLU 528 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3b78 h GLU 528 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3b78 h GLU 528 CO 0.04 0.10 -0.13 -0.09 -1.00 0.00 0.00 179.01 177.93 3b78 h ARG 529 N 0.00 0.12 -0.42 2.33 2.43 -1.00 -2.44 114.38 115.40 3b78 h ARG 529 Ca -0.00 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 3b78 h ARG 529 Cb 0.30 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3b78 h ARG 529 CO 0.01 0.78 0.17 -0.07 -1.51 0.00 0.00 179.97 179.35 3b78 h LEU 530 N -0.49 0.58 -0.07 3.80 3.38 -0.98 -2.79 115.31 118.74 3b78 h LEU 530 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3b78 h LEU 530 Cb 0.81 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3b78 h LEU 530 CO 0.03 0.58 -0.08 2.30 0.09 0.00 0.00 178.44 181.36 3b78 n ILE 531 N -4.63 0.00 -1.59 1.22 -5.35 -0.69 -3.98 119.36 104.35 3b78 n ILE 531 Ca 0.00 -0.02 -0.09 0.00 -0.27 0.00 0.00 62.75 62.38 3b78 n ILE 531 Cb 0.14 -0.30 -0.02 0.00 -1.74 0.00 0.00 39.64 37.72 3b78 n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3b78 n GLY 532 N 1.36 0.66 3.53 3.28 0.00 -1.04 -4.99 105.19 107.99 3b78 n GLY 532 Ca 0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 3b78 n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3b78 s HIS 533 N -2.36 -0.30 0.63 1.61 -3.43 -0.95 -5.04 115.29 105.46 3b78 s HIS 533 Ca 0.00 0.23 -0.18 0.00 -0.80 0.00 0.00 55.06 54.31 3b78 s HIS 533 Cb 0.00 0.52 -0.02 0.00 -1.43 0.00 0.00 32.58 31.65 3b78 s HIS 533 CO 0.00 -0.44 1.26 -2.14 -2.00 0.00 0.00 174.74 171.43 3b78 s PRO 534 N -2.69 2.66 0.91 -0.38 0.02 -1.26 -4.49 135.00 129.77 3b78 s PRO 534 Ca 0.05 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 62.95 3b78 s PRO 534 Cb -0.01 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.78 3b78 s PRO 534 CO -0.07 -1.49 1.11 -0.51 -0.33 0.00 0.00 177.00 175.72 3b78 s LEU 535 N -4.31 2.58 0.96 -5.54 1.43 -1.26 -4.73 118.68 107.80 3b78 s LEU 535 Ca 0.81 1.94 -0.13 0.00 -1.03 0.00 0.00 54.13 55.72 3b78 s LEU 535 Cb -0.35 -4.34 0.16 0.00 0.03 0.00 0.00 46.19 41.69 3b78 s LEU 535 CO 0.38 -2.93 1.13 -2.16 0.23 0.00 0.00 176.35 173.00 3b78 s PRO 536 N -4.72 0.77 0.42 1.29 0.04 -1.26 -4.96 135.00 126.59 3b78 s PRO 536 Ca 0.65 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 3b78 s PRO 536 Cb -0.21 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3b78 s PRO 536 CO 0.58 -2.44 1.31 -0.51 0.04 0.00 0.00 177.00 175.97 3b78 s LEU 537 N -6.19 4.17 0.00 -3.56 1.43 -1.26 -5.01 118.68 108.26 3b78 s LEU 537 Ca 0.65 2.66 0.00 0.00 -1.03 0.00 0.00 54.13 56.41 3b78 s LEU 537 Cb -0.15 -3.95 0.00 0.00 0.03 0.00 0.00 46.19 42.12 3b78 s LEU 537 CO 0.54 -0.92 0.00 0.54 0.23 0.00 0.00 176.35 176.74 3b78 n ARG 538 N -0.01 0.00 -0.85 1.70 5.12 -1.26 -4.07 116.66 117.29 3b78 n ARG 538 Ca 0.04 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.85 3b78 n ARG 538 Cb 0.44 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.72 3b78 n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3b78 n LEU 539 N 0.00 5.89 -4.06 0.55 4.77 -1.26 -3.16 117.00 119.72 3b78 n LEU 539 Ca 0.00 -3.07 -0.11 0.00 -0.03 0.00 0.00 56.01 52.80 3b78 n LEU 539 Cb 0.00 -1.16 -0.06 0.00 -2.33 0.00 0.00 43.42 39.86 3b78 n LEU 539 CO 0.00 1.30 0.07 1.51 -1.33 0.00 0.00 177.39 178.93 3b78 s ASP 540 N 1.13 0.13 0.03 -1.43 3.84 -1.26 -4.70 116.67 114.41 3b78 s ASP 540 Ca 0.30 -1.14 -0.03 0.00 -0.00 0.00 0.00 52.55 51.68 3b78 s ASP 540 Cb 0.19 0.55 -0.02 0.00 -1.38 0.00 0.00 42.92 42.26 3b78 s ASP 540 CO -0.03 -1.09 0.03 0.00 -0.00 0.00 0.00 175.17 174.08 3b78 s ALA 541 N -3.90 0.10 -0.03 2.11 0.00 0.39 -1.63 121.76 118.81 3b78 s ALA 541 Ca 0.28 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.59 3b78 s ALA 541 Cb 0.01 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3b78 s ALA 541 CO 0.12 -0.26 -0.09 -1.50 0.00 0.00 0.00 175.76 174.02 3b78 s ILE 542 N -2.38 0.83 -0.07 0.00 1.10 -0.90 -1.12 121.20 118.65 3b78 s ILE 542 Ca -0.07 -0.38 0.05 0.00 -0.51 0.00 0.00 60.65 59.74 3b78 s ILE 542 Cb -0.03 -0.74 -0.00 0.00 0.15 0.00 0.00 42.46 41.83 3b78 s ILE 542 CO -0.04 0.26 -0.23 -0.89 -2.11 0.00 0.00 174.94 171.93 3b78 s THR 543 N 0.24 1.95 -0.04 4.00 2.01 -0.21 -0.90 115.64 122.69 3b78 s THR 543 Ca -0.04 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.66 3b78 s THR 543 Cb -0.09 -1.67 0.12 0.00 0.01 0.00 0.00 72.50 70.87 3b78 s THR 543 CO 0.01 0.54 1.26 -0.83 -0.69 0.00 0.00 174.62 174.91 3b78 s GLY 544 N 0.09 -0.39 0.13 4.40 0.00 -0.64 -0.87 107.32 110.04 3b78 s GLY 544 Ca -0.10 0.82 -0.34 0.00 0.00 0.00 0.00 44.72 45.10 3b78 s GLY 544 CO 0.06 0.19 1.56 -1.55 0.00 0.00 0.00 173.10 173.36 3b78 n PRO 545 N -0.42 2.02 0.20 2.90 -0.04 -1.25 -0.46 135.00 137.95 3b78 n PRO 545 Ca -0.07 0.73 0.04 0.00 -0.04 0.00 0.00 63.50 64.16 3b78 n PRO 545 Cb 0.62 -2.49 0.43 0.00 -0.04 0.00 0.00 33.50 32.03 3b78 n PRO 545 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3b78 h GLU 546 N 5.94 0.00 -3.17 0.54 4.81 -1.22 -2.75 114.58 118.73 3b78 h GLU 546 Ca -0.45 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 3b78 h GLU 546 Cb 1.27 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.49 3b78 h GLU 546 CO 0.88 0.29 -0.09 -1.83 -0.73 0.00 0.00 179.01 177.53 3b78 s GLU 547 N -4.28 0.98 -0.22 1.92 -1.05 -1.26 -4.61 118.70 110.18 3b78 s GLU 547 Ca -0.03 -0.50 -0.39 0.00 -0.15 0.00 0.00 54.97 53.90 3b78 s GLU 547 Cb 0.14 0.44 -0.15 0.00 -0.44 0.00 0.00 34.13 34.12 3b78 s GLU 547 CO 0.70 -0.36 1.74 -0.85 0.95 0.00 0.00 175.26 177.44 3b78 n GLU 548 N 0.20 1.33 -1.42 -4.83 -0.00 -1.26 -0.62 120.64 114.03 3b78 n GLU 548 Ca -0.17 0.49 -0.09 0.00 -0.00 0.00 0.00 57.16 57.38 3b78 n GLU 548 Cb 0.61 -2.19 -0.03 0.00 -0.00 0.00 0.00 31.44 29.83 3b78 n GLU 548 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3b78 n GLY 549 N 4.10 0.86 0.00 -1.84 0.00 -1.26 -5.01 105.19 102.04 3b78 n GLY 549 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3b78 n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b78 n GLY 550 N -1.74 4.73 3.69 -0.02 0.00 0.21 -5.12 105.19 106.93 3b78 n GLY 550 Ca -0.09 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.53 3b78 n GLY 550 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3b78 s HIS 551 N 0.71 1.83 0.01 1.61 3.76 -1.26 -4.71 115.29 117.24 3b78 s HIS 551 Ca 0.00 1.70 -0.23 0.00 -0.15 0.00 0.00 55.06 56.38 3b78 s HIS 551 Cb 0.00 -3.26 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 3b78 s HIS 551 CO 0.00 -2.63 0.69 -0.51 -0.85 0.00 0.00 174.74 171.44 3b78 s LEU 552 N -6.48 4.41 0.14 0.89 1.43 -1.26 -0.74 118.68 117.07 3b78 s LEU 552 Ca 0.66 1.29 0.10 0.00 -1.03 0.00 0.00 54.13 55.15 3b78 s LEU 552 Cb -0.22 -3.09 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3b78 s LEU 552 CO 0.58 0.02 -0.25 -1.83 0.23 0.00 0.00 176.35 175.10 3b78 s GLU 553 N 0.07 1.37 -0.10 1.70 -1.05 0.40 -4.26 118.70 116.83 3b78 s GLU 553 Ca 0.36 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 3b78 s GLU 553 Cb -0.19 -1.77 -0.01 0.00 -0.44 0.00 0.00 34.13 31.72 3b78 s GLU 553 CO 0.20 0.41 -0.18 0.99 0.95 0.00 0.00 175.26 177.62 3b78 s THR 554 N -1.28 2.63 -0.30 1.83 2.01 0.44 -1.62 115.64 119.34 3b78 s THR 554 Ca 0.14 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.25 3b78 s THR 554 Cb -0.09 -2.04 0.03 0.00 0.01 0.00 0.00 72.50 70.40 3b78 s THR 554 CO 0.07 0.55 0.06 -0.63 -0.69 0.00 0.00 174.62 173.98 3b78 s ILE 555 N 0.07 3.64 -0.27 1.82 1.01 -0.08 -0.65 121.20 126.74 3b78 s ILE 555 Ca -0.08 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.41 3b78 s ILE 555 Cb -0.15 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3b78 s ILE 555 CO 0.05 -0.01 0.60 -0.76 0.00 0.00 0.00 174.94 174.82 3b78 s LEU 556 N 1.41 4.08 0.38 2.97 1.43 0.51 -2.13 118.68 127.33 3b78 s LEU 556 Ca -0.00 0.60 -0.25 0.00 -1.03 0.00 0.00 54.13 53.45 3b78 s LEU 556 Cb -0.18 -2.80 -0.12 0.00 0.03 0.00 0.00 46.19 43.12 3b78 s LEU 556 CO 0.01 -0.37 0.88 0.61 0.23 0.00 0.00 176.35 177.71 3b78 n GLY 557 N 4.28 -0.58 0.27 -3.19 0.00 -0.64 -1.02 105.19 104.30 3b78 n GLY 557 Ca -0.02 0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.21 3b78 n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3b78 h TRP 558 N 1.45 0.53 -0.86 1.61 -0.00 -1.72 0.25 115.95 117.22 3b78 h TRP 558 Ca -0.42 0.03 0.11 0.00 -0.00 0.00 0.00 58.89 58.62 3b78 h TRP 558 Cb 1.36 -0.13 -0.08 0.00 -0.00 0.00 0.00 29.16 30.31 3b78 h TRP 558 CO 0.43 0.11 0.49 -1.35 -0.00 0.00 0.00 178.44 178.12 3b78 h PRO 559 N 0.48 0.76 -0.12 0.49 0.11 -1.86 -1.60 132.00 130.26 3b78 h PRO 559 Ca 0.38 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 66.23 3b78 h PRO 559 Cb 0.52 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.47 3b78 h PRO 559 CO -0.35 0.50 -0.76 1.25 -0.21 0.00 0.00 178.00 178.43 3b78 h LEU 560 N 0.78 0.87 -1.27 2.35 5.85 -0.95 -3.23 115.31 119.70 3b78 h LEU 560 Ca 0.43 -0.65 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3b78 h LEU 560 Cb 0.45 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3b78 h LEU 560 CO -0.28 1.38 0.54 0.00 -0.34 0.00 0.00 178.44 179.74 3b78 h ALA 561 N 0.50 1.65 0.00 1.25 0.00 -0.15 -0.67 119.26 121.84 3b78 h ALA 561 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3b78 h ALA 561 Cb 1.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3b78 h ALA 561 CO 0.16 0.21 0.00 0.39 0.00 0.00 0.00 179.25 180.00 3b78 n GLU 562 N -4.50 0.58 -0.33 0.00 1.02 -0.64 -2.12 120.64 114.65 3b78 n GLU 562 Ca 0.13 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.37 3b78 n GLU 562 Cb 0.25 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.40 3b78 n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3b78 n ARG 563 N -1.12 3.03 -2.33 3.49 5.12 -0.26 -4.85 116.66 119.74 3b78 n ARG 563 Ca 0.15 -2.43 -0.28 0.00 -1.93 0.00 0.00 57.85 53.36 3b78 n ARG 563 Cb 0.12 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 29.91 3b78 n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3b78 s THR 564 N -1.58 3.96 -0.15 0.55 -4.23 -0.90 -4.34 115.64 108.94 3b78 s THR 564 Ca 0.35 0.18 0.02 0.00 -1.18 0.00 0.00 61.69 61.05 3b78 s THR 564 Cb 0.22 -3.57 0.01 0.00 1.34 0.00 0.00 72.50 70.50 3b78 s THR 564 CO 0.17 -0.62 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.74 3b78 s VAL 565 N -3.01 2.00 -0.18 2.29 1.01 0.32 -4.83 120.40 118.00 3b78 s VAL 565 Ca 0.53 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3b78 s VAL 565 Cb -0.11 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 3b78 s VAL 565 CO 0.47 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 175.30 3b78 s VAL 566 N 1.05 2.94 0.22 2.92 1.01 -1.26 -1.12 120.40 126.15 3b78 s VAL 566 Ca -0.02 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3b78 s VAL 566 Cb -0.14 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 3b78 s VAL 566 CO -0.07 0.49 -0.18 0.27 0.00 0.00 0.00 175.10 175.60 3b78 s ILE 567 N 1.04 2.08 0.68 2.22 -4.36 -0.80 -4.53 121.20 117.53 3b78 s ILE 567 Ca -0.01 -2.18 -0.16 0.00 -0.26 0.00 0.00 60.65 58.04 3b78 s ILE 567 Cb -0.15 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.49 3b78 s ILE 567 CO -0.02 -0.40 1.22 -2.84 0.24 0.00 0.00 174.94 173.14 3b78 s PRO 568 N -3.26 2.46 0.35 0.37 0.02 -1.26 0.07 135.00 133.75 3b78 s PRO 568 Ca 0.23 1.81 -0.05 0.00 0.02 0.00 0.00 61.00 63.01 3b78 s PRO 568 Cb -0.04 -1.87 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 3b78 s PRO 568 CO 0.10 -1.60 0.63 0.45 -0.33 0.00 0.00 177.00 176.25 3b78 s SER 569 N -1.84 6.40 0.00 2.53 0.15 -0.24 -4.52 113.70 116.17 3b78 s SER 569 Ca 0.76 0.77 0.26 0.00 0.70 0.00 0.00 55.95 58.44 3b78 s SER 569 Cb -0.30 -2.17 1.16 0.00 -1.71 0.00 0.00 66.02 63.00 3b78 s SER 569 CO 0.41 -0.31 1.79 0.00 1.20 0.00 0.00 173.24 176.33 3b78 n ALA 570 N -1.38 2.59 -2.62 5.45 0.00 -1.26 -4.77 120.51 118.52 3b78 n ALA 570 Ca -0.01 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 3b78 n ALA 570 Cb 0.55 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 3b78 n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b78 s ILE 571 N -1.95 4.85 0.41 0.00 1.01 -1.26 -4.77 121.20 119.50 3b78 s ILE 571 Ca 0.38 1.21 -0.14 0.00 0.00 0.00 0.00 60.65 62.10 3b78 s ILE 571 Cb 0.19 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 3b78 s ILE 571 CO 0.31 -0.16 0.83 -2.84 0.00 0.00 0.00 174.94 173.09 3b78 s PRO 572 N 2.82 3.92 0.30 2.79 0.02 -1.26 -4.43 135.00 139.15 3b78 s PRO 572 Ca 0.31 0.70 -0.01 0.00 0.02 0.00 0.00 61.00 62.02 3b78 s PRO 572 Cb -0.15 -2.32 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 3b78 s PRO 572 CO 0.11 -0.05 0.52 0.95 -0.33 0.00 0.00 177.00 178.20 3b78 s THR 573 N -2.32 5.11 -0.39 0.99 -4.23 -1.26 -5.01 115.64 108.53 3b78 s THR 573 Ca 0.55 -0.31 -0.15 0.00 -1.18 0.00 0.00 61.69 60.60 3b78 s THR 573 Cb -0.10 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.94 3b78 s THR 573 CO 0.26 -0.42 0.32 -0.62 -0.54 0.00 0.00 174.62 173.63 3b78 s ASP 574 N -3.63 6.13 0.53 3.99 -1.08 -1.26 -4.93 116.67 116.41 3b78 s ASP 574 Ca 0.41 -0.65 0.31 0.00 -0.52 0.00 0.00 52.55 52.09 3b78 s ASP 574 Cb -0.10 -2.17 1.46 0.00 -1.46 0.00 0.00 42.92 40.65 3b78 s ASP 574 CO 0.33 -0.41 2.05 1.55 0.52 0.00 0.00 175.17 179.20 3b78 h PRO 575 N 8.59 0.00 -0.58 4.34 0.13 -1.97 -2.59 132.00 139.92 3b78 h PRO 575 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3b78 h PRO 575 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3b78 h PRO 575 CO 0.72 0.09 0.00 0.54 -0.23 0.00 0.00 178.00 179.12 3b78 n ARG 576 N -3.38 2.92 -2.70 0.86 1.74 -1.26 -4.43 116.66 110.42 3b78 n ARG 576 Ca -0.01 -2.50 -0.08 0.00 -0.77 0.00 0.00 57.85 54.49 3b78 n ARG 576 Cb 0.27 -1.52 0.08 0.00 -1.02 0.00 0.00 32.46 30.27 3b78 n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3b78 n ASN 577 N 1.13 -0.52 -4.64 0.55 2.85 -0.99 -5.11 115.26 108.53 3b78 n ASN 577 Ca 0.20 -2.62 -0.43 0.00 -0.11 0.00 0.00 54.58 51.63 3b78 n ASN 577 Cb 0.60 0.39 -0.03 0.00 1.24 0.00 0.00 39.78 41.99 3b78 n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3b78 s VAL 578 N -1.19 3.52 0.00 3.44 1.01 -1.13 -1.28 120.40 124.77 3b78 s VAL 578 Ca 0.24 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.83 3b78 s VAL 578 Cb 0.42 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3b78 s VAL 578 CO -0.04 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3b78 n GLY 579 N 4.55 0.68 3.76 4.51 0.00 -1.26 -5.10 105.19 112.33 3b78 n GLY 579 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 3b78 n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3b78 s GLY 580 N -1.55 1.65 0.20 -0.02 0.00 -0.40 -5.07 107.32 102.14 3b78 s GLY 580 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.81 3b78 s GLY 580 CO 0.00 -0.18 0.34 0.99 0.00 0.00 0.00 173.10 174.25 3b78 s ASP 581 N -4.29 6.34 0.03 1.64 1.11 -1.26 -4.89 116.67 115.34 3b78 s ASP 581 Ca 0.70 0.17 -0.30 0.00 0.18 0.00 0.00 52.55 53.30 3b78 s ASP 581 Cb -0.09 -1.91 -0.08 0.00 1.07 0.00 0.00 42.92 41.92 3b78 s ASP 581 CO 0.54 -0.02 1.75 -0.22 1.18 0.00 0.00 175.17 178.40 3b78 s LEU 582 N -3.58 4.37 -0.33 1.23 2.96 -1.26 -4.95 118.68 117.12 3b78 s LEU 582 Ca 0.35 2.48 -0.27 0.00 -0.22 0.00 0.00 54.13 56.47 3b78 s LEU 582 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.06 3b78 s LEU 582 CO 0.29 -0.95 0.97 -0.62 -1.32 0.00 0.00 176.35 174.72 3b78 s ASP 583 N 3.26 6.79 0.53 3.68 2.15 -1.26 -4.91 116.67 126.91 3b78 s ASP 583 Ca 0.78 0.81 0.31 0.00 0.43 0.00 0.00 52.55 54.89 3b78 s ASP 583 Cb -0.39 -2.49 1.47 0.00 -0.30 0.00 0.00 42.92 41.21 3b78 s ASP 583 CO 0.34 -0.83 1.88 -0.65 -0.17 0.00 0.00 175.17 175.75 3b78 h PRO 584 N 8.24 0.02 0.00 4.34 0.11 -1.97 0.26 132.00 143.00 3b78 h PRO 584 Ca -0.22 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3b78 h PRO 584 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3b78 h PRO 584 CO 0.99 0.01 0.00 0.45 -0.21 0.00 0.00 178.00 179.24 3b78 n SER 585 N -4.27 0.64 -0.54 -2.05 2.88 -1.26 -2.53 113.62 106.49 3b78 n SER 585 Ca 0.19 0.64 0.12 0.00 -1.33 0.00 0.00 58.87 58.49 3b78 n SER 585 Cb 0.98 -0.78 0.20 0.00 -0.75 0.00 0.00 64.21 63.85 3b78 n SER 585 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3b78 n SER 586 N -2.19 1.92 -4.57 -3.46 3.41 0.93 -4.81 113.62 104.86 3b78 n SER 586 Ca 0.03 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.74 3b78 n SER 586 Cb 0.26 0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3b78 n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b78 s ILE 587 N -2.30 4.60 0.10 -1.33 1.01 -1.05 -4.65 121.20 117.59 3b78 s ILE 587 Ca 0.25 0.77 -0.35 0.00 0.00 0.00 0.00 60.65 61.32 3b78 s ILE 587 Cb 0.19 -4.33 -0.14 0.00 0.01 0.00 0.00 42.46 38.19 3b78 s ILE 587 CO 0.46 -0.65 1.56 -2.65 0.00 0.00 0.00 174.94 173.66 3b78 n PRO 588 N 6.79 1.87 -0.11 2.79 -0.02 -1.26 -4.85 135.00 140.21 3b78 n PRO 588 Ca 0.04 0.68 0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3b78 n PRO 588 Cb 0.48 -2.42 0.45 0.00 -0.02 0.00 0.00 33.50 31.99 3b78 n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3b78 h ASP 589 N 6.02 0.47 1.41 2.55 3.32 -1.95 -0.95 116.42 127.29 3b78 h ASP 589 Ca -0.46 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3b78 h ASP 589 Cb 1.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3b78 h ASP 589 CO 0.87 0.29 0.00 0.11 -1.72 0.00 0.00 179.24 178.79 3b78 h LYS 590 N 0.53 0.00 0.21 3.56 1.57 -2.00 -2.59 116.57 117.84 3b78 h LYS 590 Ca 0.28 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.74 3b78 h LYS 590 Cb 0.42 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.75 3b78 h LYS 590 CO -0.09 0.00 -1.54 1.49 -0.57 0.00 0.00 179.45 178.75 3b78 h GLU 591 N 0.00 0.44 -0.73 3.15 4.81 -1.56 -3.29 114.58 117.39 3b78 h GLU 591 Ca 0.00 -0.75 0.14 0.00 -0.13 0.00 0.00 59.36 58.62 3b78 h GLU 591 Cb 0.71 0.28 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 3b78 h GLU 591 CO 0.00 1.36 0.49 0.37 -0.73 0.00 0.00 179.01 180.50 3b78 h GLN 592 N 0.05 0.39 0.00 1.92 5.75 -1.25 -1.07 115.11 120.90 3b78 h GLN 592 Ca -0.29 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 3b78 h GLN 592 Cb 2.07 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.53 3b78 h GLN 592 CO 0.21 0.26 0.00 0.00 -2.65 0.00 0.00 178.83 176.65 3b78 h ALA 593 N 1.65 1.00 -0.20 3.38 0.00 -1.53 -2.89 119.26 120.67 3b78 h ALA 593 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3b78 h ALA 593 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3b78 h ALA 593 CO -0.11 0.00 -0.03 0.44 0.00 0.00 0.00 179.25 179.54 3b78 n ILE 594 N -3.09 2.24 -0.51 0.00 -5.35 -0.42 -4.63 119.36 107.59 3b78 n ILE 594 Ca 0.00 -2.20 0.06 0.00 -0.27 0.00 0.00 62.75 60.34 3b78 n ILE 594 Cb 0.29 -0.26 0.16 0.00 -1.74 0.00 0.00 39.64 38.09 3b78 n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3b78 n SER 595 N -0.89 3.03 -4.77 7.28 7.64 -1.09 -4.98 113.62 119.84 3b78 n SER 595 Ca 0.22 -2.45 -0.41 0.00 1.01 0.00 0.00 58.87 57.24 3b78 n SER 595 Cb 0.85 -0.32 0.01 0.00 -1.01 0.00 0.00 64.21 63.74 3b78 n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b78 n ALA 596 N -0.19 2.27 -2.90 -0.43 0.00 -1.26 -5.00 120.51 113.00 3b78 n ALA 596 Ca 0.13 0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 3b78 n ALA 596 Cb 0.58 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 3b78 n ALA 596 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3b78 s LEU 597 N -2.35 4.32 0.93 0.00 1.43 -1.26 -4.83 118.68 116.91 3b78 s LEU 597 Ca 0.56 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3b78 s LEU 597 Cb -0.46 -2.98 0.15 0.00 0.03 0.00 0.00 46.19 42.92 3b78 s LEU 597 CO 0.61 0.06 1.09 -2.84 0.23 0.00 0.00 176.35 175.50 3b78 s PRO 598 N -3.09 1.00 -0.30 1.29 0.02 -1.26 -4.99 135.00 127.67 3b78 s PRO 598 Ca 0.36 1.03 -0.20 0.00 0.02 0.00 0.00 61.00 62.20 3b78 s PRO 598 Cb -0.11 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.63 3b78 s PRO 598 CO 0.28 -2.48 0.62 0.34 -0.33 0.00 0.00 177.00 175.44 3b78 s ASP 599 N -3.11 6.50 0.23 2.53 -1.08 -1.26 -5.05 116.67 115.43 3b78 s ASP 599 Ca 0.65 0.46 -0.07 0.00 -0.52 0.00 0.00 52.55 53.06 3b78 s ASP 599 Cb -0.20 -2.33 -0.06 0.00 -1.46 0.00 0.00 42.92 38.87 3b78 s ASP 599 CO 0.58 -0.46 0.52 -0.31 0.52 0.00 0.00 175.17 176.02 3b78 s TYR 600 N 2.59 3.45 0.14 -5.34 2.02 -1.26 -5.06 117.35 113.88 3b78 s TYR 600 Ca 0.25 0.74 -0.29 0.00 -0.37 0.00 0.00 57.07 57.40 3b78 s TYR 600 Cb -0.15 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.18 3b78 s TYR 600 CO 0.11 0.26 0.93 0.00 -1.57 0.00 0.00 175.55 175.29 3b78 s ALA 601 N -1.88 3.28 -1.73 3.71 0.00 -1.04 -4.72 121.76 119.39 3b78 s ALA 601 Ca 0.45 0.55 0.23 0.00 0.00 0.00 0.00 51.96 53.19 3b78 s ALA 601 Cb -0.11 -3.23 0.12 0.00 0.00 0.00 0.00 23.12 19.90 3b78 s ALA 601 CO 0.25 0.05 1.16 0.43 0.00 0.00 0.00 175.76 177.64 3b78 n SER 602 N 2.45 1.56 -4.32 0.00 7.64 -1.26 -1.02 113.62 118.67 3b78 n SER 602 Ca 0.01 -1.23 -0.23 0.00 1.01 0.00 0.00 58.87 58.42 3b78 n SER 602 Cb 0.49 0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 64.07 3b78 n SER 602 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3b78 s GLN 603 N -2.61 1.24 0.57 1.43 -1.52 -1.26 -4.92 119.66 112.58 3b78 s GLN 603 Ca 0.17 -1.32 -0.19 0.00 -1.95 0.00 0.00 55.36 52.08 3b78 s GLN 603 Cb 0.18 -1.43 -0.07 0.00 -0.22 0.00 0.00 33.01 31.47 3b78 s GLN 603 CO 0.63 0.31 0.77 -2.30 -0.25 0.00 0.00 175.29 174.45 3b78 n PRO 604 N 0.64 0.76 0.00 2.91 -0.02 -1.26 -5.02 135.00 133.01 3b78 n PRO 604 Ca -0.16 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3b78 n PRO 604 Cb 0.55 -1.94 0.10 0.00 -0.02 0.00 0.00 33.50 32.19 3b78 n PRO 604 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89