#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zit n PHE 400 N 0.00 0.00 1.17 0.00 3.72 -1.26 -4.72 117.46 116.37 2zit n PHE 400 Ca 0.00 -0.75 0.13 0.00 -0.05 0.00 0.00 57.45 56.77 2zit n PHE 400 Cb 0.00 -0.11 0.25 0.00 -0.94 0.00 0.00 39.48 38.68 2zit n PHE 400 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2zit n LEU 401 N -1.02 2.47 0.00 4.37 4.77 -1.26 -4.77 117.00 121.56 2zit n LEU 401 Ca 0.10 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 2zit n LEU 401 Cb 0.53 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2zit n LEU 401 CO 0.01 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2zit n GLY 402 N 1.29 -1.90 3.88 -0.72 0.00 -1.26 -4.78 105.19 101.70 2zit n GLY 402 Ca 0.16 -1.38 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2zit n GLY 402 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2zit s ASP 403 N -4.00 6.34 0.00 1.61 -0.00 -1.26 -5.02 116.67 114.34 2zit s ASP 403 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 2zit s ASP 403 Cb 0.00 -2.02 0.00 0.00 -0.00 0.00 0.00 42.92 40.90 2zit s ASP 403 CO 0.00 0.36 0.00 0.61 -0.00 0.00 0.00 175.17 176.14 2zit n GLY 404 N 1.64 0.03 3.71 0.21 0.00 -1.26 -4.94 105.19 104.58 2zit n GLY 404 Ca -0.17 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 2zit n GLY 404 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zit s GLY 405 N 0.00 1.68 0.04 -0.02 0.00 -1.26 -4.96 107.32 102.79 2zit s GLY 405 Ca 0.00 -1.16 -0.31 0.00 0.00 0.00 0.00 44.72 43.25 2zit s GLY 405 CO 0.00 -0.26 1.47 0.99 0.00 0.00 0.00 173.10 175.29 2zit s ASP 406 N -4.35 6.78 -0.12 1.64 -0.00 -1.26 -4.95 116.67 114.41 2zit s ASP 406 Ca 0.74 2.26 -0.26 0.00 -0.00 0.00 0.00 52.55 55.28 2zit s ASP 406 Cb -0.06 -2.57 -0.02 0.00 -0.00 0.00 0.00 42.92 40.28 2zit s ASP 406 CO 0.55 -0.75 0.85 -0.69 -0.00 0.00 0.00 175.17 175.13 2zit s VAL 407 N 2.20 4.90 0.12 -1.27 1.01 -1.26 -4.61 120.40 121.48 2zit s VAL 407 Ca 0.67 1.71 0.01 0.00 0.00 0.00 0.00 61.98 64.37 2zit s VAL 407 Cb -0.35 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 2zit s VAL 407 CO 0.29 0.08 -0.02 -0.94 0.00 0.00 0.00 175.10 174.51 2zit s SER 408 N 1.06 0.97 -0.15 3.32 1.04 -1.23 -4.98 113.70 113.74 2zit s SER 408 Ca 0.41 -1.09 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 2zit s SER 408 Cb -0.18 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2zit s SER 408 CO 0.16 -0.55 -0.03 -0.36 0.98 0.00 0.00 173.24 173.44 2zit s PHE 409 N -3.73 3.04 0.20 5.02 0.08 -1.26 -0.60 117.98 120.72 2zit s PHE 409 Ca 0.17 -0.25 -0.00 0.00 0.12 0.00 0.00 56.93 56.97 2zit s PHE 409 Cb 0.06 -1.95 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2zit s PHE 409 CO -0.01 0.01 0.10 0.45 -0.10 0.00 0.00 175.22 175.66 2zit s SER 410 N 0.26 0.49 0.39 1.36 0.15 -1.18 -4.98 113.70 110.20 2zit s SER 410 Ca -0.03 -1.34 0.20 0.00 0.70 0.00 0.00 55.95 55.48 2zit s SER 410 Cb -0.14 0.30 0.68 0.00 -1.71 0.00 0.00 66.02 65.15 2zit s SER 410 CO 0.03 -0.77 1.73 0.71 1.20 0.00 0.00 173.24 176.13 2zit h THR 411 N 2.62 0.76 0.00 6.45 1.35 -1.93 -2.54 112.91 119.62 2zit h THR 411 Ca -0.36 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2zit h THR 411 Cb 1.24 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 2zit h THR 411 CO 0.57 0.33 0.00 0.54 -0.25 0.00 0.00 175.52 176.71 2zit n ARG 412 N -3.44 0.12 0.00 4.72 1.74 -1.26 -4.55 116.66 113.98 2zit n ARG 412 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 2zit n ARG 412 Cb 0.51 -1.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2zit n ARG 412 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 413 N 0.82 2.95 3.74 -0.13 0.00 -0.96 -5.05 105.19 106.56 2zit n GLY 413 Ca 0.05 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2zit n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2zit s THR 414 N -2.19 2.59 0.07 2.61 2.01 -1.26 -3.09 115.64 116.39 2zit s THR 414 Ca 0.00 0.47 -0.20 0.00 0.31 0.00 0.00 61.69 62.27 2zit s THR 414 Cb 0.00 -3.30 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 2zit s THR 414 CO 0.00 0.06 0.60 -1.10 -0.69 0.00 0.00 174.62 173.49 2zit s GLN 415 N 0.14 4.27 -1.34 4.92 -1.52 0.23 -4.20 119.66 122.16 2zit s GLN 415 Ca 0.63 0.79 -0.07 0.00 -1.95 0.00 0.00 55.36 54.77 2zit s GLN 415 Cb -0.43 -3.26 0.02 0.00 -0.22 0.00 0.00 33.01 29.12 2zit s GLN 415 CO 0.39 0.59 1.07 0.09 -0.25 0.00 0.00 175.29 177.18 2zit n ASN 416 N 1.85 -4.56 -3.31 5.90 3.02 -1.26 -3.47 115.26 113.43 2zit n ASN 416 Ca -0.09 -0.62 -0.26 0.00 -0.03 0.00 0.00 54.58 53.58 2zit n ASN 416 Cb 0.50 -4.79 -0.09 0.00 -0.61 0.00 0.00 39.78 34.79 2zit n ASN 416 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 2zit n TRP 417 N -4.67 -0.80 -1.65 3.10 -0.00 -1.26 -4.69 117.44 107.46 2zit n TRP 417 Ca -0.09 -3.36 -0.30 0.00 -0.00 0.00 0.00 57.50 53.75 2zit n TRP 417 Cb 0.59 0.09 0.21 0.00 -0.00 0.00 0.00 31.31 32.20 2zit n TRP 417 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2zit s THR 418 N -0.34 1.86 0.15 5.87 -4.23 -1.26 -4.87 115.64 112.82 2zit s THR 418 Ca 0.34 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.79 2zit s THR 418 Cb 0.08 -2.83 -0.11 0.00 1.34 0.00 0.00 72.50 70.98 2zit s THR 418 CO -0.17 0.00 1.40 0.58 -0.54 0.00 0.00 174.62 175.89 2zit h VAL 419 N -2.01 1.34 -0.34 2.29 2.07 -1.99 -3.10 116.25 114.50 2zit h VAL 419 Ca -0.44 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.03 2zit h VAL 419 Cb 1.25 2.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2zit h VAL 419 CO 0.34 0.62 0.14 -0.33 0.02 0.00 0.00 177.57 178.37 2zit h GLU 420 N 0.39 0.51 -0.28 1.57 3.07 -2.00 -1.92 114.58 115.92 2zit h GLU 420 Ca -0.03 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 2zit h GLU 420 Cb 1.31 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 2zit h GLU 420 CO 0.13 0.49 0.12 -0.09 -1.40 0.00 0.00 179.01 178.26 2zit h ARG 421 N 0.40 0.38 -0.15 2.33 2.43 -1.92 -1.85 114.38 116.00 2zit h ARG 421 Ca 0.11 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 2zit h ARG 421 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2zit h ARG 421 CO -0.01 0.32 0.00 1.25 -1.51 0.00 0.00 179.97 180.02 2zit h LEU 422 N 0.39 0.26 -1.59 3.80 5.85 -1.38 -1.17 115.31 121.46 2zit h LEU 422 Ca 0.10 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2zit h LEU 422 Cb 0.07 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2zit h LEU 422 CO -0.01 0.50 0.38 -0.07 -0.34 0.00 0.00 178.44 178.89 2zit h LEU 423 N 0.01 0.43 0.15 2.25 3.38 -0.73 0.27 115.31 121.08 2zit h LEU 423 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2zit h LEU 423 Cb 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2zit h LEU 423 CO 0.01 0.28 -0.07 -0.61 0.09 0.00 0.00 178.44 178.13 2zit h GLN 424 N 0.49 -0.19 -0.95 1.13 4.15 -1.17 -1.99 115.11 116.58 2zit h GLN 424 Ca 0.25 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.69 2zit h GLN 424 Cb 0.36 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 2zit h GLN 424 CO -0.07 0.23 0.61 0.00 -1.93 0.00 0.00 178.83 177.67 2zit h ALA 425 N -0.03 1.29 -0.75 3.38 0.00 -0.73 0.33 119.26 122.76 2zit h ALA 425 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2zit h ALA 425 Cb 0.51 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2zit h ALA 425 CO 0.03 0.64 0.25 1.25 0.00 0.00 0.00 179.25 181.43 2zit h HIS 426 N 1.29 1.18 -0.15 0.00 -0.00 -0.53 -0.81 115.15 116.13 2zit h HIS 426 Ca 0.34 -0.11 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 2zit h HIS 426 Cb -0.12 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 26.94 2zit h HIS 426 CO 0.00 0.92 0.02 -0.09 -0.00 0.00 0.00 177.93 178.79 2zit h ARG 427 N 1.10 0.25 0.00 5.26 2.43 -0.67 -1.79 114.38 120.96 2zit h ARG 427 Ca 0.24 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2zit h ARG 427 Cb 0.28 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2zit h ARG 427 CO -0.01 0.44 -0.09 1.96 -1.51 0.00 0.00 179.97 180.75 2zit h GLN 428 N 0.03 0.00 0.10 0.20 4.20 -0.79 -0.75 115.11 118.10 2zit h GLN 428 Ca 0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2zit h GLN 428 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2zit h GLN 428 CO 0.00 0.09 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.14 2zit h LEU 429 N 0.00 -0.11 -0.94 1.46 3.38 -0.85 -2.98 115.31 115.26 2zit h LEU 429 Ca -0.00 -0.47 0.16 0.00 0.09 0.00 0.00 57.88 57.66 2zit h LEU 429 Cb 0.24 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 2zit h LEU 429 CO 0.01 0.50 0.54 -0.33 0.09 0.00 0.00 178.44 179.26 2zit h GLU 430 N -0.82 0.72 0.00 1.13 5.08 -1.07 -0.63 114.58 118.99 2zit h GLU 430 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2zit h GLU 430 Cb 0.58 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2zit h GLU 430 CO 0.02 0.48 -0.01 0.93 -1.00 0.00 0.00 179.01 179.43 2zit h GLU 431 N 0.74 0.00 -0.50 2.33 5.08 -1.15 -1.98 114.58 119.10 2zit h GLU 431 Ca 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2zit h GLU 431 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2zit h GLU 431 CO -0.36 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.20 2zit n ARG 432 N -3.15 2.58 -0.37 2.33 1.74 -0.31 -4.95 116.66 114.53 2zit n ARG 432 Ca -0.01 -2.32 0.00 0.00 -0.77 0.00 0.00 57.85 54.75 2zit n ARG 432 Cb 0.19 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 2zit n ARG 432 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2zit n GLY 433 N 1.25 0.97 3.86 -0.13 0.00 -0.74 -5.02 105.19 105.39 2zit n GLY 433 Ca 0.19 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2zit n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zit s TYR 434 N -2.00 3.28 0.01 1.61 1.51 -0.82 -0.83 117.35 120.12 2zit s TYR 434 Ca 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2zit s TYR 434 Cb 0.00 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.29 2zit s TYR 434 CO 0.00 0.51 -0.07 0.54 -1.11 0.00 0.00 175.55 175.42 2zit s VAL 435 N -1.82 0.54 0.13 0.71 0.11 0.34 -3.89 120.40 116.52 2zit s VAL 435 Ca 0.33 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 2zit s VAL 435 Cb -0.10 -0.51 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 2zit s VAL 435 CO 0.26 -0.04 1.00 0.12 -3.33 0.00 0.00 175.10 173.11 2zit s PHE 436 N -0.58 3.75 0.00 1.54 5.36 -1.26 -1.23 117.98 125.56 2zit s PHE 436 Ca -0.02 1.74 0.00 0.00 -0.96 0.00 0.00 56.93 57.69 2zit s PHE 436 Cb -0.05 -3.12 0.00 0.00 -0.34 0.00 0.00 43.02 39.51 2zit s PHE 436 CO 0.00 -0.04 0.00 1.33 -1.46 0.00 0.00 175.22 175.06 2zit n VAL 437 N 2.70 0.00 -2.22 3.12 0.24 -0.62 -4.40 118.33 117.15 2zit n VAL 437 Ca 0.03 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 2zit n VAL 437 Cb 0.48 0.80 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 2zit n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2zit n GLY 438 N 1.17 -1.56 3.80 7.63 0.00 -1.24 -4.48 105.19 110.51 2zit n GLY 438 Ca 0.00 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 2zit n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2zit s TYR 439 N -2.51 3.07 -0.21 1.61 2.02 0.23 -0.78 117.35 120.78 2zit s TYR 439 Ca 0.00 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.55 2zit s TYR 439 Cb 0.00 -1.40 0.08 0.00 -0.40 0.00 0.00 41.96 40.24 2zit s TYR 439 CO 0.00 0.53 0.16 -1.58 -1.57 0.00 0.00 175.55 173.09 2zit s HIS 440 N -2.07 0.01 0.11 2.71 5.65 0.19 -0.59 115.29 121.31 2zit s HIS 440 Ca 0.32 -0.22 -0.22 0.00 0.25 0.00 0.00 55.06 55.19 2zit s HIS 440 Cb -0.08 -0.60 -0.07 0.00 -1.18 0.00 0.00 32.58 30.65 2zit s HIS 440 CO 0.24 -0.63 0.68 0.20 -0.65 0.00 0.00 174.74 174.58 2zit s GLY 441 N 2.21 2.79 0.19 1.59 0.00 -1.19 -1.71 107.32 111.21 2zit s GLY 441 Ca 0.05 0.20 -0.22 0.00 0.00 0.00 0.00 44.72 44.75 2zit s GLY 441 CO -0.17 0.70 1.01 -1.08 0.00 0.00 0.00 173.10 173.56 2zit s THR 442 N -1.03 0.00 0.59 0.90 -1.32 -0.92 -4.18 115.64 109.68 2zit s THR 442 Ca 0.33 -0.63 -0.09 0.00 -1.21 0.00 0.00 61.69 60.09 2zit s THR 442 Cb -0.21 -2.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 2zit s THR 442 CO 0.23 0.00 0.97 0.72 -2.21 0.00 0.00 174.62 174.32 2zit s PHE 443 N -2.36 3.54 0.14 9.09 -0.71 -1.26 -0.22 117.98 126.20 2zit s PHE 443 Ca 0.20 1.08 -0.27 0.00 -1.04 0.00 0.00 56.93 56.90 2zit s PHE 443 Cb -0.03 -2.66 -0.03 0.00 -1.21 0.00 0.00 43.02 39.10 2zit s PHE 443 CO 0.05 -0.66 1.59 -0.07 -1.34 0.00 0.00 175.22 174.80 2zit h LEU 444 N -0.21 -1.20 -1.54 -1.99 3.38 -1.88 -0.95 115.31 110.92 2zit h LEU 444 Ca -0.45 0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2zit h LEU 444 Cb 1.21 0.50 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 2zit h LEU 444 CO 0.62 -0.39 0.37 -0.33 0.09 0.00 0.00 178.44 178.80 2zit h GLU 445 N -0.43 0.57 -0.01 1.13 3.07 -1.94 -1.10 114.58 115.87 2zit h GLU 445 Ca 0.10 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2zit h GLU 445 Cb 0.59 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2zit h GLU 445 CO -0.41 0.38 -0.00 0.00 -1.40 0.00 0.00 179.01 177.58 2zit h ALA 446 N 1.69 0.02 -0.32 3.43 0.00 -1.61 -2.01 119.26 120.46 2zit h ALA 446 Ca 0.23 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2zit h ALA 446 Cb 0.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2zit h ALA 446 CO -0.06 -0.31 -0.13 0.00 0.00 0.00 0.00 179.25 178.75 2zit h ALA 447 N 0.66 0.13 -0.45 0.00 0.00 -0.69 0.21 119.26 119.13 2zit h ALA 447 Ca 0.00 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.12 2zit h ALA 447 Cb 0.35 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.37 2zit h ALA 447 CO 0.00 -0.52 -0.25 0.37 0.00 0.00 0.00 179.25 178.85 2zit h GLN 448 N -0.07 -0.16 -0.96 0.00 5.75 -1.16 0.19 115.11 118.69 2zit h GLN 448 Ca 0.16 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2zit h GLN 448 Cb 0.32 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 2zit h GLN 448 CO -0.37 -0.10 0.64 1.03 -2.65 0.00 0.00 178.83 177.37 2zit h SER 449 N -0.16 1.10 -0.00 -0.69 0.87 -0.55 -1.29 113.55 112.83 2zit h SER 449 Ca 0.21 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 2zit h SER 449 Cb 0.49 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2zit h SER 449 CO -0.55 0.79 -0.00 0.40 -0.53 0.00 0.00 176.83 176.94 2zit h ILE 450 N 1.29 1.50 -0.41 2.23 2.04 0.07 0.12 117.51 124.36 2zit h ILE 450 Ca 0.36 -1.48 -0.09 0.00 1.00 0.00 0.00 64.86 64.64 2zit h ILE 450 Cb -0.12 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2zit h ILE 450 CO -0.08 0.38 -0.13 0.58 0.00 0.00 0.00 178.15 178.90 2zit h VAL 451 N -0.62 1.26 0.00 1.67 2.07 -0.59 0.50 116.25 120.53 2zit h VAL 451 Ca -0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2zit h VAL 451 Cb 0.63 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2zit h VAL 451 CO 0.00 0.40 -1.17 0.49 0.02 0.00 0.00 177.57 177.31 2zit n PHE 452 N -4.16 0.00 -0.01 1.57 3.01 -0.49 -4.55 117.46 112.83 2zit n PHE 452 Ca 0.01 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.48 2zit n PHE 452 Cb 0.37 -0.17 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 2zit n PHE 452 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zit n GLY 453 N 1.52 -0.29 0.00 1.37 0.00 0.34 -5.04 105.19 103.10 2zit n GLY 453 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2zit n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zit n GLY 454 N 2.34 1.13 3.67 -0.02 0.00 0.17 -4.92 105.19 107.55 2zit n GLY 454 Ca -0.04 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2zit n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2zit s VAL 455 N -2.55 3.31 0.00 1.61 1.01 -1.25 -4.50 120.40 118.03 2zit s VAL 455 Ca 0.00 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.51 2zit s VAL 455 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2zit s VAL 455 CO 0.00 -0.03 -0.19 -0.13 0.00 0.00 0.00 175.10 174.75 2zit s ARG 456 N 3.87 1.44 0.52 2.72 0.52 -1.26 -4.19 118.95 122.57 2zit s ARG 456 Ca 0.78 -0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 55.02 2zit s ARG 456 Cb -0.37 -1.43 -0.06 0.00 0.52 0.00 0.00 34.95 33.61 2zit s ARG 456 CO 0.33 0.38 1.38 0.00 0.02 0.00 0.00 175.30 177.42 2zit s ALA 457 N -0.55 2.93 0.16 2.13 0.00 -1.26 -5.02 121.76 120.15 2zit s ALA 457 Ca 0.07 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 2zit s ALA 457 Cb -0.08 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.51 2zit s ALA 457 CO 0.00 -1.33 0.47 -0.98 0.00 0.00 0.00 175.76 173.92 2zit s ARG 458 N -2.79 1.22 0.45 0.00 1.70 -1.26 -5.15 118.95 113.13 2zit s ARG 458 Ca 0.69 -0.75 -0.24 0.00 -0.47 0.00 0.00 55.73 54.96 2zit s ARG 458 Cb -0.41 0.50 -0.08 0.00 -0.57 0.00 0.00 34.95 34.40 2zit s ARG 458 CO 0.50 -0.50 1.25 0.45 -1.08 0.00 0.00 175.30 175.92 2zit s SER 459 N -2.83 6.10 -0.03 -2.89 0.15 -1.26 -4.95 113.70 108.00 2zit s SER 459 Ca 0.05 2.52 -0.13 0.00 0.70 0.00 0.00 55.95 59.10 2zit s SER 459 Cb 0.00 -2.62 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 2zit s SER 459 CO -0.08 -0.98 0.28 0.00 1.20 0.00 0.00 173.24 173.65 2zit s GLN 460 N -2.52 0.58 -1.08 5.44 -2.07 -1.26 -5.09 119.66 113.66 2zit s GLN 460 Ca 0.62 -0.12 -0.22 0.00 -1.82 0.00 0.00 55.36 53.81 2zit s GLN 460 Cb -0.34 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 2zit s GLN 460 CO 0.43 -0.15 1.74 0.34 -1.32 0.00 0.00 175.29 176.33 2zit s ASP 461 N -1.08 5.92 0.03 12.60 -1.08 -1.26 -4.83 116.67 126.98 2zit s ASP 461 Ca -0.11 -1.49 -0.29 0.00 -0.52 0.00 0.00 52.55 50.14 2zit s ASP 461 Cb -0.05 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 38.94 2zit s ASP 461 CO 0.03 -2.07 1.21 -1.48 0.52 0.00 0.00 175.17 173.38 2zit s LEU 462 N 7.35 -0.08 0.25 -1.34 0.05 -1.26 -5.14 118.68 118.52 2zit s LEU 462 Ca 0.58 -0.21 -0.30 0.00 0.05 0.00 0.00 54.13 54.25 2zit s LEU 462 Cb -0.01 1.57 -0.10 0.00 -2.05 0.00 0.00 46.19 45.59 2zit s LEU 462 CO 0.01 -0.45 1.50 -0.62 -0.55 0.00 0.00 176.35 176.24 2zit s ASP 463 N -3.03 6.57 0.51 1.48 -1.08 -1.26 -4.86 116.67 114.99 2zit s ASP 463 Ca 0.15 2.73 0.31 0.00 -0.52 0.00 0.00 52.55 55.22 2zit s ASP 463 Cb 0.03 -2.62 1.42 0.00 -1.46 0.00 0.00 42.92 40.29 2zit s ASP 463 CO -0.02 -0.78 1.82 0.00 0.52 0.00 0.00 175.17 176.71 2zit h ALA 464 N 5.31 2.83 0.00 3.66 0.00 -2.00 0.77 119.26 129.83 2zit h ALA 464 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2zit h ALA 464 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2zit h ALA 464 CO 0.81 -1.16 0.00 0.44 0.00 0.00 0.00 179.25 179.34 2zit n ILE 465 N -4.31 0.59 -0.73 0.00 -5.35 -1.26 -2.25 119.36 106.05 2zit n ILE 465 Ca 0.23 0.15 0.05 0.00 -0.27 0.00 0.00 62.75 62.92 2zit n ILE 465 Cb 1.08 -0.91 0.07 0.00 -1.74 0.00 0.00 39.64 38.15 2zit n ILE 465 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 2zit n TRP 466 N -1.29 0.00 -2.17 4.28 7.02 0.26 -4.23 117.44 121.32 2zit n TRP 466 Ca 0.07 -0.72 -0.35 0.00 -1.02 0.00 0.00 57.50 55.48 2zit n TRP 466 Cb 0.12 -0.10 0.01 0.00 -2.42 0.00 0.00 31.31 28.92 2zit n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 2zit s ARG 467 N -1.90 3.23 0.00 -0.99 1.70 -0.95 -4.96 118.95 115.07 2zit s ARG 467 Ca 0.17 1.66 0.00 0.00 -0.47 0.00 0.00 55.73 57.10 2zit s ARG 467 Cb 0.15 -1.98 0.00 0.00 -0.57 0.00 0.00 34.95 32.55 2zit s ARG 467 CO 0.02 -0.96 0.00 0.41 -1.08 0.00 0.00 175.30 173.68 2zit n GLY 468 N 0.23 0.22 3.74 3.88 0.00 -1.26 -4.52 105.19 107.47 2zit n GLY 468 Ca 0.12 -1.62 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2zit n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2zit s PHE 469 N -1.54 3.64 -0.24 1.61 5.36 -0.29 -4.87 117.98 121.66 2zit s PHE 469 Ca 0.00 1.28 -0.08 0.00 -0.96 0.00 0.00 56.93 57.17 2zit s PHE 469 Cb 0.00 -2.75 -0.03 0.00 -0.34 0.00 0.00 43.02 39.90 2zit s PHE 469 CO 0.00 0.21 0.09 0.71 -1.46 0.00 0.00 175.22 174.76 2zit s TYR 470 N 0.32 3.13 0.25 10.12 1.51 -1.26 -0.69 117.35 130.73 2zit s TYR 470 Ca 0.36 -0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2zit s TYR 470 Cb -0.18 -2.23 -0.05 0.00 -0.11 0.00 0.00 41.96 39.38 2zit s TYR 470 CO 0.19 -0.24 0.03 0.96 -1.11 0.00 0.00 175.55 175.38 2zit s ILE 471 N 1.43 0.89 -0.00 2.71 -4.36 -0.25 -4.78 121.20 116.83 2zit s ILE 471 Ca 0.06 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 2zit s ILE 471 Cb -0.15 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.09 2zit s ILE 471 CO 0.04 -0.20 -0.02 0.00 0.24 0.00 0.00 174.94 175.00 2zit s ALA 472 N -3.52 0.19 0.06 2.27 0.00 0.25 0.14 121.76 121.15 2zit s ALA 472 Ca 0.32 -0.06 -0.27 0.00 0.00 0.00 0.00 51.96 51.94 2zit s ALA 472 Cb 0.07 -0.07 -0.17 0.00 0.00 0.00 0.00 23.12 22.95 2zit s ALA 472 CO 0.11 0.03 1.60 0.78 0.00 0.00 0.00 175.76 178.28 2zit h GLY 473 N 6.20 -0.41 -5.73 0.00 0.00 -1.78 0.66 103.07 102.01 2zit h GLY 473 Ca -0.27 0.15 -0.57 0.00 0.00 0.00 0.00 47.33 46.64 2zit h GLY 473 CO 0.50 -0.15 0.93 -0.35 0.00 0.00 0.00 176.54 177.47 2zit s ASP 474 N -4.91 6.79 0.56 0.19 -1.08 -1.26 -4.49 116.67 112.47 2zit s ASP 474 Ca -0.15 1.26 0.26 0.00 -0.52 0.00 0.00 52.55 53.40 2zit s ASP 474 Cb 0.04 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.60 2zit s ASP 474 CO 0.63 -0.97 2.20 1.55 0.52 0.00 0.00 175.17 179.10 2zit h PRO 475 N 8.78 0.00 -0.94 4.34 0.13 -1.97 -2.25 132.00 140.11 2zit h PRO 475 Ca -0.25 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 2zit h PRO 475 Cb 1.09 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.16 2zit h PRO 475 CO 1.02 0.03 0.61 0.00 -0.23 0.00 0.00 178.00 179.43 2zit h ALA 476 N 1.97 1.24 0.52 -0.56 0.00 -1.94 0.19 119.26 120.68 2zit h ALA 476 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2zit h ALA 476 Cb 0.06 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2zit h ALA 476 CO 0.00 0.47 -0.25 1.25 0.00 0.00 0.00 179.25 180.72 2zit h LEU 477 N 1.17 -0.60 -2.47 0.00 5.85 -1.80 -2.88 115.31 114.58 2zit h LEU 477 Ca 0.38 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2zit h LEU 477 Cb 0.02 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 2zit h LEU 477 CO -0.13 -0.29 -0.02 0.00 -0.34 0.00 0.00 178.44 177.66 2zit h ALA 478 N -0.56 1.31 -0.34 1.25 0.00 -1.56 -1.68 119.26 117.68 2zit h ALA 478 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2zit h ALA 478 Cb 0.61 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2zit h ALA 478 CO 0.12 0.03 0.22 -0.92 0.00 0.00 0.00 179.25 178.70 2zit h TYR 479 N 0.00 0.41 0.00 0.00 5.03 -0.40 -2.03 116.97 119.98 2zit h TYR 479 Ca -0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 2zit h TYR 479 Cb 0.09 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.23 2zit h TYR 479 CO 0.00 0.26 0.00 0.41 -1.32 0.00 0.00 178.16 177.51 2zit n GLY 480 N -1.49 -1.10 0.58 1.82 0.00 -0.63 -1.81 105.19 102.57 2zit n GLY 480 Ca 0.02 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2zit n GLY 480 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zit n TYR 481 N -1.73 0.04 -1.79 1.61 4.01 -0.77 -4.76 117.16 113.77 2zit n TYR 481 Ca 0.03 -0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2zit n TYR 481 Cb 0.19 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 2zit n TYR 481 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2zit n ALA 482 N 0.80 6.07 -3.55 -0.72 0.00 -0.75 -2.99 120.51 119.37 2zit n ALA 482 Ca 0.09 -3.91 -0.06 0.00 0.00 0.00 0.00 53.44 49.55 2zit n ALA 482 Cb 0.36 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.47 2zit n ALA 482 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2zit s GLN 483 N 1.99 0.59 0.29 0.00 -2.07 -1.25 -0.15 119.66 119.06 2zit s GLN 483 Ca 0.51 -0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.53 2zit s GLN 483 Cb 0.14 0.27 -0.12 0.00 -1.09 0.00 0.00 33.01 32.21 2zit s GLN 483 CO -0.06 -0.26 1.54 -0.25 -1.32 0.00 0.00 175.29 174.94 2zit n ASP 484 N -0.18 3.61 0.07 12.60 8.00 -1.04 -4.28 116.55 135.32 2zit n ASP 484 Ca -0.05 1.15 0.12 0.00 0.71 0.00 0.00 54.79 56.72 2zit n ASP 484 Cb 0.60 -1.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.21 2zit n ASP 484 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2zit n GLN 485 N 1.98 0.41 -3.79 -1.24 1.13 -1.26 -4.86 117.38 109.75 2zit n GLN 485 Ca 0.09 0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 2zit n GLN 485 Cb 0.36 -1.71 -0.14 0.00 0.11 0.00 0.00 30.24 28.85 2zit n GLN 485 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2zit s GLU 486 N -3.25 0.05 0.84 -1.09 2.12 -1.26 -5.15 118.70 110.95 2zit s GLU 486 Ca 0.03 0.22 -0.11 0.00 0.36 0.00 0.00 54.97 55.46 2zit s GLU 486 Cb 0.12 -0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.50 2zit s GLU 486 CO 0.77 -0.11 1.15 -1.25 -0.54 0.00 0.00 175.26 175.28 2zit s PRO 487 N 0.72 1.57 0.00 4.30 0.04 -1.26 -4.94 135.00 135.42 2zit s PRO 487 Ca -0.06 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2zit s PRO 487 Cb -0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2zit s PRO 487 CO -0.03 -2.22 0.00 -0.40 0.04 0.00 0.00 177.00 174.39 2zit n ASP 488 N -3.69 0.00 -0.25 6.66 5.75 -1.11 -4.85 116.55 119.06 2zit n ASP 488 Ca 0.12 -0.03 -0.05 0.00 -0.01 0.00 0.00 54.79 54.81 2zit n ASP 488 Cb 0.52 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.66 2zit n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2zit h ALA 489 N -1.93 0.88 0.00 2.12 0.00 -1.97 -2.99 119.26 115.37 2zit h ALA 489 Ca 0.00 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 2zit h ALA 489 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2zit h ALA 489 CO 0.00 0.34 -0.95 0.00 0.00 0.00 0.00 179.25 178.64 2zit h ARG 490 N 0.94 0.00 0.00 0.00 3.08 -2.04 -3.48 114.38 112.88 2zit h ARG 490 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2zit h ARG 490 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2zit h ARG 490 CO -0.05 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 2zit n GLY 491 N 1.31 1.91 3.78 0.04 0.00 -1.13 -5.11 105.19 105.99 2zit n GLY 491 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2zit n GLY 491 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2zit s ARG 492 N -0.33 4.41 -0.37 1.61 1.70 -1.26 -4.77 118.95 119.94 2zit s ARG 492 Ca 0.00 0.96 0.03 0.00 -0.47 0.00 0.00 55.73 56.24 2zit s ARG 492 Cb 0.00 -3.29 0.11 0.00 -0.57 0.00 0.00 34.95 31.20 2zit s ARG 492 CO 0.00 0.50 0.12 0.42 -1.08 0.00 0.00 175.30 175.26 2zit s ILE 493 N -0.77 1.89 0.34 4.99 1.01 -1.26 -2.75 121.20 124.67 2zit s ILE 493 Ca 0.34 -2.30 -0.10 0.00 0.00 0.00 0.00 60.65 58.59 2zit s ILE 493 Cb -0.21 -2.38 -0.07 0.00 0.01 0.00 0.00 42.46 39.81 2zit s ILE 493 CO 0.22 -0.68 0.69 0.00 0.00 0.00 0.00 174.94 175.17 2zit s ARG 494 N 0.82 3.79 1.14 2.79 1.70 -1.26 -4.88 118.95 123.06 2zit s ARG 494 Ca 0.12 0.39 -0.12 0.00 -0.47 0.00 0.00 55.73 55.65 2zit s ARG 494 Cb -0.20 -2.48 0.27 0.00 -0.57 0.00 0.00 34.95 31.97 2zit s ARG 494 CO -0.10 0.09 1.04 0.54 -1.08 0.00 0.00 175.30 175.80 2zit s ASN 495 N -2.89 1.11 0.00 -2.89 4.22 -1.26 -2.50 114.94 110.73 2zit s ASN 495 Ca 0.50 1.67 0.00 0.00 -2.14 0.00 0.00 52.86 52.88 2zit s ASN 495 Cb -0.10 -2.39 0.00 0.00 1.28 0.00 0.00 41.25 40.04 2zit s ASN 495 CO 0.27 -4.14 0.00 0.61 -2.04 0.00 0.00 177.10 171.80 2zit n GLY 496 N 0.87 4.28 3.11 0.45 0.00 0.79 -4.59 105.19 110.11 2zit n GLY 496 Ca 0.04 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 2zit n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zit s ALA 497 N -2.28 -0.46 -0.16 4.61 0.00 0.69 -4.64 121.76 119.53 2zit s ALA 497 Ca 0.00 0.25 -0.17 0.00 0.00 0.00 0.00 51.96 52.04 2zit s ALA 497 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2zit s ALA 497 CO 0.00 -0.16 0.45 -0.51 0.00 0.00 0.00 175.76 175.53 2zit s LEU 498 N -0.68 4.22 0.08 0.00 1.43 -1.26 -2.16 118.68 120.30 2zit s LEU 498 Ca -0.08 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 2zit s LEU 498 Cb -0.04 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 2zit s LEU 498 CO 0.01 -0.04 -0.10 -0.76 0.23 0.00 0.00 176.35 175.69 2zit s LEU 499 N 0.94 3.01 -0.20 1.79 1.02 -0.69 -1.32 118.68 123.23 2zit s LEU 499 Ca 0.23 -0.34 -0.06 0.00 0.02 0.00 0.00 54.13 53.97 2zit s LEU 499 Cb -0.15 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.24 2zit s LEU 499 CO 0.09 0.21 0.04 -0.13 0.02 0.00 0.00 176.35 176.58 2zit s ARG 500 N -1.95 3.78 -0.20 1.70 0.52 0.10 -0.64 118.95 122.26 2zit s ARG 500 Ca 0.20 -0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 54.88 2zit s ARG 500 Cb -0.11 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 2zit s ARG 500 CO 0.11 0.09 0.11 0.08 0.02 0.00 0.00 175.30 175.72 2zit s VAL 501 N 0.83 5.16 0.01 3.52 1.01 0.04 -1.54 120.40 129.43 2zit s VAL 501 Ca 0.02 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2zit s VAL 501 Cb -0.14 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2zit s VAL 501 CO 0.02 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 175.01 2zit s TYR 502 N 0.47 2.10 0.21 5.22 1.51 -0.69 -1.59 117.35 124.58 2zit s TYR 502 Ca 0.06 -0.40 0.08 0.00 -1.01 0.00 0.00 57.07 55.81 2zit s TYR 502 Cb -0.12 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.37 2zit s TYR 502 CO -0.00 0.03 -0.15 0.14 -1.11 0.00 0.00 175.55 174.45 2zit s VAL 503 N -0.66 1.83 0.24 0.71 -7.23 -0.36 -0.23 120.40 114.68 2zit s VAL 503 Ca 0.09 -2.22 -0.31 0.00 -1.81 0.00 0.00 61.98 57.74 2zit s VAL 503 Cb -0.09 -2.06 -0.11 0.00 0.56 0.00 0.00 36.38 34.68 2zit s VAL 503 CO 0.00 -0.56 1.57 -2.84 -0.31 0.00 0.00 175.10 172.96 2zit s PRO 504 N -3.59 4.18 0.60 4.82 0.02 -1.26 -0.50 135.00 139.27 2zit s PRO 504 Ca 0.23 2.46 0.30 0.00 0.02 0.00 0.00 61.00 64.01 2zit s PRO 504 Cb -0.01 -3.09 1.74 0.00 0.02 0.00 0.00 34.50 33.16 2zit s PRO 504 CO 0.08 -0.59 2.12 0.00 -0.33 0.00 0.00 177.00 178.28 2zit h ARG 505 N 5.70 0.00 0.00 5.54 3.08 -1.30 0.35 114.38 127.75 2zit h ARG 505 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2zit h ARG 505 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2zit h ARG 505 CO 0.85 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.62 2zit n SER 506 N -3.67 0.50 -0.16 7.04 3.41 -1.26 -1.28 113.62 118.20 2zit n SER 506 Ca 0.01 0.72 0.11 0.00 -0.26 0.00 0.00 58.87 59.44 2zit n SER 506 Cb 0.29 -0.79 0.08 0.00 -0.26 0.00 0.00 64.21 63.53 2zit n SER 506 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2zit n SER 507 N -2.16 1.13 0.03 4.04 3.41 0.11 -4.34 113.62 115.84 2zit n SER 507 Ca -0.01 -0.92 0.11 0.00 -0.26 0.00 0.00 58.87 57.79 2zit n SER 507 Cb 0.06 0.55 0.55 0.00 -0.26 0.00 0.00 64.21 65.12 2zit n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2zit h LEU 508 N 0.78 0.23 -0.62 1.04 3.38 -1.32 -0.80 115.31 118.00 2zit h LEU 508 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2zit h LEU 508 Cb 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2zit h LEU 508 CO 0.00 0.15 0.00 -2.65 0.09 0.00 0.00 178.44 176.03 2zit n PRO 509 N -4.47 0.07 -0.18 1.13 -0.02 -1.26 -1.63 135.00 128.64 2zit n PRO 509 Ca 0.06 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2zit n PRO 509 Cb 0.29 -1.71 0.20 0.00 -0.02 0.00 0.00 33.50 32.27 2zit n PRO 509 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2zit n GLY 510 N -1.21 1.70 3.65 -1.23 0.00 -0.31 -4.93 105.19 102.86 2zit n GLY 510 Ca -0.00 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 2zit n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2zit s PHE 511 N -1.45 3.34 0.27 1.61 0.40 -0.65 -0.97 117.98 120.54 2zit s PHE 511 Ca 0.37 0.64 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 2zit s PHE 511 Cb 0.22 -2.60 -0.06 0.00 0.51 0.00 0.00 43.02 41.09 2zit s PHE 511 CO 0.30 -0.10 -0.01 0.71 0.70 0.00 0.00 175.22 176.83 2zit s TYR 512 N 1.63 1.80 0.10 0.36 1.51 -0.59 -2.35 117.35 119.81 2zit s TYR 512 Ca 0.20 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 2zit s TYR 512 Cb -0.15 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.59 2zit s TYR 512 CO 0.09 0.09 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.56 2zit s ARG 513 N -3.82 0.86 -0.02 -0.62 1.70 0.10 -1.50 118.95 115.65 2zit s ARG 513 Ca 0.31 -1.30 -0.22 0.00 -0.47 0.00 0.00 55.73 54.04 2zit s ARG 513 Cb 0.06 -0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.15 2zit s ARG 513 CO 0.11 0.02 0.48 -0.08 -1.08 0.00 0.00 175.30 174.75 2zit s THR 514 N -3.28 0.03 -0.19 4.99 -1.32 -0.07 -4.61 115.64 111.19 2zit s THR 514 Ca 0.11 -0.27 0.17 0.00 -1.21 0.00 0.00 61.69 60.50 2zit s THR 514 Cb 0.03 -0.82 0.14 0.00 -1.51 0.00 0.00 72.50 70.33 2zit s THR 514 CO -0.03 -0.15 1.51 0.28 -2.21 0.00 0.00 174.62 174.03 2zit h SER 515 N 3.37 0.00 -4.06 8.08 0.02 -2.00 -3.38 113.55 115.59 2zit h SER 515 Ca -0.29 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.13 2zit h SER 515 Cb 1.17 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.82 2zit h SER 515 CO 0.40 0.37 0.53 -0.76 -1.14 0.00 0.00 176.83 176.23 2zit s LEU 516 N -6.43 3.82 0.14 5.07 1.43 -1.26 -4.56 118.68 116.88 2zit s LEU 516 Ca 0.04 2.54 -0.30 0.00 -1.03 0.00 0.00 54.13 55.38 2zit s LEU 516 Cb 0.07 -4.38 -0.07 0.00 0.03 0.00 0.00 46.19 41.84 2zit s LEU 516 CO 0.72 -1.45 1.24 -0.89 0.23 0.00 0.00 176.35 176.20 2zit s THR 517 N -1.45 3.63 0.79 5.49 2.01 -1.26 -3.96 115.64 120.90 2zit s THR 517 Ca 0.72 1.27 -0.10 0.00 0.31 0.00 0.00 61.69 63.89 2zit s THR 517 Cb -0.35 -3.81 0.10 0.00 0.01 0.00 0.00 72.50 68.46 2zit s THR 517 CO 0.40 0.15 1.12 -0.76 -0.69 0.00 0.00 174.62 174.84 2zit s LEU 518 N 0.41 2.73 -1.62 4.42 1.43 -1.00 -4.24 118.68 120.80 2zit s LEU 518 Ca 0.57 0.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 2zit s LEU 518 Cb -0.33 -2.86 0.00 0.00 0.03 0.00 0.00 46.19 43.03 2zit s LEU 518 CO 0.33 -1.96 0.00 0.00 0.23 0.00 0.00 176.35 174.96 2zit n ALA 519 N -3.20 -0.37 -2.70 4.21 0.00 -1.26 -4.89 120.51 112.30 2zit n ALA 519 Ca 0.10 0.21 -0.18 0.00 0.00 0.00 0.00 53.44 53.57 2zit n ALA 519 Cb 0.60 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.10 2zit n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zit s ALA 520 N -2.73 0.72 0.62 0.00 0.00 -1.26 -5.03 121.76 114.08 2zit s ALA 520 Ca 0.00 -0.42 0.36 0.00 0.00 0.00 0.00 51.96 51.90 2zit s ALA 520 Cb 0.00 -0.16 1.97 0.00 0.00 0.00 0.00 23.12 24.93 2zit s ALA 520 CO 0.00 0.16 2.11 -1.00 0.00 0.00 0.00 175.76 177.03 2zit h PRO 521 N 5.77 0.00 -0.00 0.00 0.13 -1.94 -0.47 132.00 135.49 2zit h PRO 521 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2zit h PRO 521 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2zit h PRO 521 CO 0.49 0.00 -0.03 0.39 -0.23 0.00 0.00 178.00 178.62 2zit n GLU 522 N -2.93 0.56 -0.00 0.86 4.71 -1.26 -3.55 120.64 119.02 2zit n GLU 522 Ca -0.02 -0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 2zit n GLU 522 Cb 0.22 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.14 2zit n GLU 522 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2zit n ALA 523 N -1.17 2.06 -0.29 0.62 0.00 -0.20 -4.72 120.51 116.81 2zit n ALA 523 Ca 0.15 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.63 2zit n ALA 523 Cb 0.24 -0.03 0.21 0.00 0.00 0.00 0.00 19.45 19.86 2zit n ALA 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2zit h ALA 524 N 0.10 1.24 -0.25 0.00 0.00 -1.57 -1.00 119.26 117.78 2zit h ALA 524 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2zit h ALA 524 Cb 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2zit h ALA 524 CO 0.00 -0.06 0.13 0.78 0.00 0.00 0.00 179.25 180.09 2zit h GLY 525 N 0.64 0.38 1.16 0.00 0.00 -1.85 -0.29 103.07 103.12 2zit h GLY 525 Ca 0.45 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.49 2zit h GLY 525 CO -0.34 0.18 -0.06 -2.09 0.00 0.00 0.00 176.54 174.22 2zit h GLU 526 N 0.28 0.99 -0.39 4.80 4.57 -1.72 -1.55 114.58 121.56 2zit h GLU 526 Ca 0.09 -0.33 -0.05 0.00 -1.18 0.00 0.00 59.36 57.88 2zit h GLU 526 Cb 0.10 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2zit h GLU 526 CO -0.01 1.01 0.04 0.28 -1.18 0.00 0.00 179.01 179.15 2zit h VAL 527 N 0.89 1.25 0.00 0.32 2.07 -1.08 -1.42 116.25 118.28 2zit h VAL 527 Ca 0.15 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2zit h VAL 527 Cb 0.61 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2zit h VAL 527 CO 0.04 0.31 -0.07 -0.33 0.02 0.00 0.00 177.57 177.54 2zit h GLU 528 N 0.51 0.00 -0.01 1.57 5.08 -0.89 -1.18 114.58 119.65 2zit h GLU 528 Ca 0.12 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2zit h GLU 528 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 2zit h GLU 528 CO 0.01 0.07 -0.69 -0.09 -1.00 0.00 0.00 179.01 177.31 2zit h ARG 529 N 0.00 0.49 -0.10 2.33 2.43 -0.69 -2.31 114.38 116.52 2zit h ARG 529 Ca -0.00 -0.51 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 2zit h ARG 529 Cb 0.23 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2zit h ARG 529 CO 0.01 1.15 -0.04 -0.07 -1.51 0.00 0.00 179.97 179.52 2zit h LEU 530 N 0.03 0.21 0.00 3.80 3.38 -0.70 -3.11 115.31 118.92 2zit h LEU 530 Ca -0.08 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2zit h LEU 530 Cb 1.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.08 2zit h LEU 530 CO 0.14 0.55 0.00 2.30 0.09 0.00 0.00 178.44 181.52 2zit n ILE 531 N -4.75 0.08 -1.36 1.22 -5.35 -0.50 -4.15 119.36 104.55 2zit n ILE 531 Ca -0.06 0.02 -0.05 0.00 -0.27 0.00 0.00 62.75 62.38 2zit n ILE 531 Cb 0.25 -0.54 -0.02 0.00 -1.74 0.00 0.00 39.64 37.59 2zit n ILE 531 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2zit n GLY 532 N 1.31 0.65 3.55 3.28 0.00 -1.02 -5.00 105.19 107.96 2zit n GLY 532 Ca 0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 2zit n GLY 532 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2zit s HIS 533 N -2.21 -0.34 0.33 1.61 -3.43 -0.90 -5.03 115.29 105.32 2zit s HIS 533 Ca 0.00 0.44 -0.28 0.00 -0.80 0.00 0.00 55.06 54.41 2zit s HIS 533 Cb 0.00 0.49 -0.12 0.00 -1.43 0.00 0.00 32.58 31.51 2zit s HIS 533 CO 0.00 -0.40 1.29 -2.30 -2.00 0.00 0.00 174.74 171.33 2zit n PRO 534 N 0.31 2.10 -0.73 -0.38 -0.02 -1.26 -4.50 135.00 130.52 2zit n PRO 534 Ca -0.09 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 2zit n PRO 534 Cb 0.59 -2.32 0.15 0.00 -0.02 0.00 0.00 33.50 31.90 2zit n PRO 534 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2zit n LEU 535 N 0.90 0.31 -4.90 2.45 4.77 -1.26 -4.79 117.00 114.48 2zit n LEU 535 Ca 0.05 0.27 -0.29 0.00 -0.03 0.00 0.00 56.01 56.01 2zit n LEU 535 Cb 0.36 -1.25 0.12 0.00 -2.33 0.00 0.00 43.42 40.32 2zit n LEU 535 CO 0.62 -3.21 0.80 -2.16 -1.33 0.00 0.00 177.39 172.11 2zit s PRO 536 N -3.89 1.56 0.49 3.23 0.04 -1.26 -4.94 135.00 130.22 2zit s PRO 536 Ca 0.60 -0.00 -0.23 0.00 0.04 0.00 0.00 61.00 61.40 2zit s PRO 536 Cb -0.21 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2zit s PRO 536 CO 0.65 -1.86 1.30 -0.51 0.04 0.00 0.00 177.00 176.63 2zit s LEU 537 N -5.70 3.99 0.00 -3.56 1.43 -1.26 -5.01 118.68 108.57 2zit s LEU 537 Ca 0.65 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 56.39 2zit s LEU 537 Cb -0.10 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.97 2zit s LEU 537 CO 0.50 -1.22 0.00 0.54 0.23 0.00 0.00 176.35 176.40 2zit n ARG 538 N -0.57 0.00 -1.37 1.70 5.12 -1.26 -4.13 116.66 116.14 2zit n ARG 538 Ca 0.08 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.76 2zit n ARG 538 Cb 0.45 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.67 2zit n ARG 538 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2zit n LEU 539 N 0.00 6.18 -3.87 0.55 4.77 -1.26 -2.69 117.00 120.68 2zit n LEU 539 Ca 0.00 -3.86 -0.08 0.00 -0.03 0.00 0.00 56.01 52.05 2zit n LEU 539 Cb 0.00 -1.28 -0.02 0.00 -2.33 0.00 0.00 43.42 39.79 2zit n LEU 539 CO 0.00 1.73 0.44 1.51 -1.33 0.00 0.00 177.39 179.74 2zit s ASP 540 N 0.75 -0.17 0.03 -1.43 3.84 -1.26 -4.67 116.67 113.76 2zit s ASP 540 Ca 0.61 -0.75 -0.07 0.00 -0.00 0.00 0.00 52.55 52.34 2zit s ASP 540 Cb 0.37 0.73 -0.00 0.00 -1.38 0.00 0.00 42.92 42.64 2zit s ASP 540 CO -0.17 -1.38 0.13 0.00 -0.00 0.00 0.00 175.17 173.75 2zit s ALA 541 N -3.65 -0.19 -0.02 2.11 0.00 -0.14 -1.98 121.76 117.89 2zit s ALA 541 Ca 0.13 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.72 2zit s ALA 541 Cb -0.05 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.30 2zit s ALA 541 CO 0.08 -0.31 -0.13 -1.50 0.00 0.00 0.00 175.76 173.90 2zit s ILE 542 N -2.37 1.08 -0.12 0.00 1.10 -0.75 -1.54 121.20 118.60 2zit s ILE 542 Ca -0.07 -0.55 0.02 0.00 -0.51 0.00 0.00 60.65 59.54 2zit s ILE 542 Cb -0.02 -0.93 0.01 0.00 0.15 0.00 0.00 42.46 41.67 2zit s ILE 542 CO -0.03 0.32 -0.17 -0.89 -2.11 0.00 0.00 174.94 172.05 2zit s THR 543 N -0.05 1.65 0.10 4.00 2.01 -0.56 -0.52 115.64 122.27 2zit s THR 543 Ca 0.00 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.00 2zit s THR 543 Cb -0.08 -1.49 0.08 0.00 0.01 0.00 0.00 72.50 71.02 2zit s THR 543 CO 0.01 0.47 0.95 -0.83 -0.69 0.00 0.00 174.62 174.52 2zit s GLY 544 N 0.93 -0.30 0.05 4.40 0.00 -0.69 -0.89 107.32 110.80 2zit s GLY 544 Ca -0.07 0.39 -0.36 0.00 0.00 0.00 0.00 44.72 44.69 2zit s GLY 544 CO -0.01 0.10 1.57 -1.05 0.00 0.00 0.00 173.10 173.70 2zit n PRO 545 N -0.41 1.71 0.25 2.90 -0.02 -1.25 -1.40 135.00 136.79 2zit n PRO 545 Ca -0.07 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 2zit n PRO 545 Cb 0.61 -2.35 0.62 0.00 -0.02 0.00 0.00 33.50 32.36 2zit n PRO 545 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2zit h GLU 546 N 6.13 0.00 -3.70 -0.52 4.81 -1.32 -2.65 114.58 117.33 2zit h GLU 546 Ca -0.47 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 2zit h GLU 546 Cb 1.29 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 2zit h GLU 546 CO 0.87 0.04 -0.05 -1.83 -0.73 0.00 0.00 179.01 177.31 2zit s GLU 547 N -4.95 1.89 -0.21 1.92 -1.05 -1.26 -4.61 118.70 110.44 2zit s GLU 547 Ca -0.05 -1.53 -0.28 0.00 -0.15 0.00 0.00 54.97 52.96 2zit s GLU 547 Cb 0.17 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.30 2zit s GLU 547 CO 0.67 -0.82 2.21 -1.21 0.95 0.00 0.00 175.26 177.07 2zit s GLU 548 N -3.15 3.16 0.00 -4.83 0.41 -1.26 -1.20 118.70 111.83 2zit s GLU 548 Ca 0.24 2.05 0.00 0.00 -0.41 0.00 0.00 54.97 56.85 2zit s GLU 548 Cb -0.02 -4.37 0.00 0.00 -1.78 0.00 0.00 34.13 27.97 2zit s GLU 548 CO 0.15 -2.07 0.00 0.41 -0.49 0.00 0.00 175.26 173.26 2zit n GLY 549 N 5.71 0.79 1.22 -1.39 0.00 -1.26 -5.01 105.19 105.25 2zit n GLY 549 Ca 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 2zit n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zit n GLY 550 N -2.07 -1.68 3.89 -0.02 0.00 -0.34 -5.06 105.19 99.91 2zit n GLY 550 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2zit n GLY 550 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2zit s ARG 551 N -3.90 3.44 0.45 1.61 0.52 -1.26 -4.66 118.95 115.15 2zit s ARG 551 Ca 0.24 0.41 -0.22 0.00 -0.52 0.00 0.00 55.73 55.64 2zit s ARG 551 Cb -0.01 -2.22 -0.08 0.00 0.52 0.00 0.00 34.95 33.15 2zit s ARG 551 CO 0.17 -0.47 1.07 -0.51 0.02 0.00 0.00 175.30 175.58 2zit s LEU 552 N -4.99 3.98 0.16 2.53 1.43 -1.26 -0.96 118.68 119.57 2zit s LEU 552 Ca 0.52 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.70 2zit s LEU 552 Cb -0.11 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.71 2zit s LEU 552 CO 0.49 -0.72 -0.04 -1.83 0.23 0.00 0.00 176.35 174.48 2zit s GLU 553 N -2.85 1.09 -0.04 1.70 -1.05 -0.49 -4.44 118.70 112.61 2zit s GLU 553 Ca 0.63 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.98 2zit s GLU 553 Cb -0.21 -0.40 0.01 0.00 -0.44 0.00 0.00 34.13 33.09 2zit s GLU 553 CO 0.26 -0.06 -0.10 0.99 0.95 0.00 0.00 175.26 177.30 2zit s THR 554 N -3.54 0.93 -0.23 1.83 2.01 0.12 -1.71 115.64 115.06 2zit s THR 554 Ca 0.21 -0.41 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2zit s THR 554 Cb 0.05 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2zit s THR 554 CO 0.02 0.29 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.59 2zit s ILE 555 N 0.37 3.50 -0.39 1.82 1.01 0.33 -1.09 121.20 126.75 2zit s ILE 555 Ca -0.07 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 59.96 2zit s ILE 555 Cb -0.11 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2zit s ILE 555 CO 0.01 0.39 0.27 -0.76 0.00 0.00 0.00 174.94 174.85 2zit s LEU 556 N 1.49 4.89 0.22 2.97 1.43 0.14 -1.81 118.68 128.00 2zit s LEU 556 Ca 0.05 -0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 52.07 2zit s LEU 556 Cb -0.15 -2.14 -0.15 0.00 0.03 0.00 0.00 46.19 43.79 2zit s LEU 556 CO -0.02 -0.38 1.07 0.61 0.23 0.00 0.00 176.35 177.86 2zit n GLY 557 N 5.12 -0.17 0.29 -3.19 0.00 -0.84 -1.14 105.19 105.28 2zit n GLY 557 Ca -0.12 0.45 0.09 0.00 0.00 0.00 0.00 46.02 46.44 2zit n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2zit h TRP 558 N 2.73 0.23 -0.96 1.61 4.06 -1.73 0.37 115.95 122.26 2zit h TRP 558 Ca -0.41 0.05 0.13 0.00 2.06 0.00 0.00 58.89 60.72 2zit h TRP 558 Cb 1.35 0.03 -0.09 0.00 -1.00 0.00 0.00 29.16 29.45 2zit h TRP 558 CO 0.51 -0.18 0.59 -1.35 -3.56 0.00 0.00 178.44 174.45 2zit h PRO 559 N 0.20 0.88 0.04 0.49 0.11 -1.86 0.77 132.00 132.63 2zit h PRO 559 Ca 0.48 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.31 2zit h PRO 559 Cb 0.89 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2zit h PRO 559 CO -0.62 0.58 -1.00 1.25 -0.21 0.00 0.00 178.00 178.00 2zit h LEU 560 N 0.90 0.29 -1.24 2.35 5.85 -0.41 -3.28 115.31 119.77 2zit h LEU 560 Ca 0.49 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 2zit h LEU 560 Cb 0.53 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2zit h LEU 560 CO -0.29 1.13 -0.35 0.00 -0.34 0.00 0.00 178.44 178.59 2zit h ALA 561 N 0.84 1.37 0.00 1.25 0.00 0.97 -1.88 119.26 121.82 2zit h ALA 561 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2zit h ALA 561 Cb 1.68 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2zit h ALA 561 CO 0.16 0.46 0.00 0.39 0.00 0.00 0.00 179.25 180.26 2zit n GLU 562 N -4.11 0.93 -0.15 0.00 1.02 0.13 -2.69 120.64 115.76 2zit n GLU 562 Ca -0.02 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.18 2zit n GLU 562 Cb 0.40 -1.48 0.14 0.00 -0.02 0.00 0.00 31.44 30.47 2zit n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2zit n ARG 563 N -0.98 2.39 -1.71 3.49 5.12 -0.71 -4.87 116.66 119.38 2zit n ARG 563 Ca 0.22 -1.90 -0.31 0.00 -1.93 0.00 0.00 57.85 53.93 2zit n ARG 563 Cb 0.10 -1.28 0.04 0.00 -1.16 0.00 0.00 32.46 30.16 2zit n ARG 563 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2zit s THR 564 N -1.00 4.14 -0.20 0.55 -4.23 -1.10 -4.42 115.64 109.39 2zit s THR 564 Ca 0.23 0.69 0.01 0.00 -1.18 0.00 0.00 61.69 61.44 2zit s THR 564 Cb 0.12 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.45 2zit s THR 564 CO 0.16 -0.91 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.56 2zit s VAL 565 N -3.14 1.54 -0.12 2.29 1.01 0.68 -4.81 120.40 117.85 2zit s VAL 565 Ca 0.57 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 2zit s VAL 565 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2zit s VAL 565 CO 0.54 0.14 0.01 -0.69 0.00 0.00 0.00 175.10 175.10 2zit s VAL 566 N 1.44 4.34 0.14 2.92 1.01 -1.26 -1.70 120.40 127.29 2zit s VAL 566 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 61.98 61.81 2zit s VAL 566 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 2zit s VAL 566 CO -0.08 0.55 -0.13 0.27 0.00 0.00 0.00 175.10 175.71 2zit s ILE 567 N -0.34 1.39 0.87 2.22 -4.36 -0.59 -4.62 121.20 115.78 2zit s ILE 567 Ca 0.07 -1.89 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 2zit s ILE 567 Cb -0.12 -1.71 0.11 0.00 1.25 0.00 0.00 42.46 41.99 2zit s ILE 567 CO 0.02 -0.51 1.08 -2.65 0.24 0.00 0.00 174.94 173.12 2zit n PRO 568 N 0.20 -0.18 -4.07 0.37 -0.02 -1.26 0.01 135.00 130.05 2zit n PRO 568 Ca -0.13 0.02 -0.23 0.00 -2.02 0.00 0.00 63.50 61.14 2zit n PRO 568 Cb 0.58 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 2zit n PRO 568 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2zit s SER 569 N -2.35 5.69 0.00 2.55 0.15 -0.43 -4.49 113.70 114.82 2zit s SER 569 Ca 0.69 -0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.49 2zit s SER 569 Cb -0.26 -1.51 1.27 0.00 -1.71 0.00 0.00 66.02 63.81 2zit s SER 569 CO 0.56 -0.00 1.87 0.00 1.20 0.00 0.00 173.24 176.87 2zit n ALA 570 N -0.91 2.69 -2.61 5.45 0.00 -1.26 -4.76 120.51 119.12 2zit n ALA 570 Ca -0.08 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 2zit n ALA 570 Cb 0.56 -1.28 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 2zit n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2zit s ILE 571 N -2.15 4.59 0.17 0.00 1.01 -1.26 -4.77 121.20 118.79 2zit s ILE 571 Ca 0.37 1.22 -0.20 0.00 0.00 0.00 0.00 60.65 62.04 2zit s ILE 571 Cb 0.21 -4.33 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2zit s ILE 571 CO 0.39 -0.52 0.68 -2.16 0.00 0.00 0.00 174.94 173.33 2zit s PRO 572 N 3.45 4.26 0.43 2.79 0.05 -1.26 -4.43 135.00 140.29 2zit s PRO 572 Ca 0.38 0.84 -0.15 0.00 0.05 0.00 0.00 61.00 62.13 2zit s PRO 572 Cb -0.12 -3.02 -0.08 0.00 0.05 0.00 0.00 34.50 31.33 2zit s PRO 572 CO 0.18 0.49 0.86 0.95 0.05 0.00 0.00 177.00 179.53 2zit s THR 573 N -1.37 4.63 -0.39 1.26 -4.23 -1.26 -5.04 115.64 109.24 2zit s THR 573 Ca 0.38 1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 2zit s THR 573 Cb -0.18 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.99 2zit s THR 573 CO 0.21 -0.49 0.26 -0.62 -0.54 0.00 0.00 174.62 173.45 2zit s ASP 574 N -2.83 5.98 0.49 3.99 -1.08 -1.26 -4.89 116.67 117.06 2zit s ASP 574 Ca 0.56 -0.83 0.27 0.00 -0.52 0.00 0.00 52.55 52.02 2zit s ASP 574 Cb -0.10 -2.12 1.20 0.00 -1.46 0.00 0.00 42.92 40.45 2zit s ASP 574 CO 0.26 -0.39 1.95 1.55 0.52 0.00 0.00 175.17 179.06 2zit h PRO 575 N 8.55 0.00 -0.55 4.34 0.13 -1.97 -2.71 132.00 139.79 2zit h PRO 575 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2zit h PRO 575 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 2zit h PRO 575 CO 0.69 0.17 0.03 0.54 -0.23 0.00 0.00 178.00 179.20 2zit n ARG 576 N -3.46 4.43 -2.68 0.86 1.74 -1.26 -4.37 116.66 111.91 2zit n ARG 576 Ca -0.01 -3.12 -0.06 0.00 -0.77 0.00 0.00 57.85 53.90 2zit n ARG 576 Cb 0.34 -2.20 0.10 0.00 -1.02 0.00 0.00 32.46 29.68 2zit n ARG 576 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2zit n ASN 577 N 0.32 -1.77 -4.66 0.55 2.85 -1.03 -5.10 115.26 106.42 2zit n ASN 577 Ca 0.29 -2.34 -0.42 0.00 -0.11 0.00 0.00 54.58 51.99 2zit n ASN 577 Cb 1.18 0.98 -0.03 0.00 1.24 0.00 0.00 39.78 43.16 2zit n ASN 577 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2zit s VAL 578 N 0.17 3.58 0.00 3.44 1.01 -1.14 -1.54 120.40 125.91 2zit s VAL 578 Ca 0.19 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2zit s VAL 578 Cb 0.36 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.29 2zit s VAL 578 CO -0.08 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2zit n GLY 579 N 4.16 2.48 3.64 4.51 0.00 -1.26 -5.09 105.19 113.63 2zit n GLY 579 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2zit n GLY 579 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2zit s GLY 580 N -2.40 1.60 0.07 -0.02 0.00 -0.59 -5.02 107.32 100.96 2zit s GLY 580 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.55 2zit s GLY 580 CO 0.00 0.52 0.42 0.99 0.00 0.00 0.00 173.10 175.03 2zit s ASP 581 N -3.07 6.71 -0.07 1.64 1.11 -1.26 -4.93 116.67 116.80 2zit s ASP 581 Ca 0.66 0.87 -0.34 0.00 0.18 0.00 0.00 52.55 53.92 2zit s ASP 581 Cb -0.21 -2.21 -0.12 0.00 1.07 0.00 0.00 42.92 41.46 2zit s ASP 581 CO 0.59 0.20 1.88 -0.11 1.18 0.00 0.00 175.17 178.91 2zit n LEU 582 N 1.12 3.50 -4.63 1.23 7.94 -1.26 -4.93 117.00 119.97 2zit n LEU 582 Ca -0.09 0.97 -0.43 0.00 -1.11 0.00 0.00 56.01 55.35 2zit n LEU 582 Cb 0.52 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 2zit n LEU 582 CO 0.41 -0.04 0.95 -0.62 -1.11 0.00 0.00 177.39 176.98 2zit s ASP 583 N 3.97 6.87 0.65 1.96 2.15 -1.26 -4.92 116.67 126.10 2zit s ASP 583 Ca 0.92 0.94 0.30 0.00 0.43 0.00 0.00 52.55 55.14 2zit s ASP 583 Cb -0.67 -2.54 1.64 0.00 -0.30 0.00 0.00 42.92 41.06 2zit s ASP 583 CO 0.50 -0.92 1.95 1.55 -0.17 0.00 0.00 175.17 178.08 2zit h PRO 584 N 8.26 0.00 -0.00 4.34 0.13 -1.98 0.21 132.00 142.95 2zit h PRO 584 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2zit h PRO 584 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2zit h PRO 584 CO 1.04 0.00 -0.06 -1.13 -0.23 0.00 0.00 178.00 177.62 2zit n SER 585 N -3.13 0.41 -0.75 1.44 3.41 -1.26 -2.93 113.62 110.81 2zit n SER 585 Ca 0.00 -0.70 0.13 0.00 -0.26 0.00 0.00 58.87 58.04 2zit n SER 585 Cb 0.42 -0.08 0.29 0.00 -0.26 0.00 0.00 64.21 64.58 2zit n SER 585 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2zit n SER 586 N -0.90 2.33 -4.54 4.04 3.41 0.73 -4.82 113.62 113.87 2zit n SER 586 Ca 0.17 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.58 2zit n SER 586 Cb 0.24 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2zit n SER 586 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2zit s ILE 587 N -1.98 4.86 -0.08 -1.33 1.01 -1.15 -4.59 121.20 117.93 2zit s ILE 587 Ca 0.33 0.32 -0.37 0.00 0.00 0.00 0.00 60.65 60.93 2zit s ILE 587 Cb 0.20 -4.14 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 2zit s ILE 587 CO 0.31 -0.46 1.70 -2.65 0.00 0.00 0.00 174.94 173.84 2zit n PRO 588 N 6.15 1.67 0.03 2.79 -0.02 -1.26 -4.83 135.00 139.53 2zit n PRO 588 Ca -0.02 0.61 0.20 0.00 -2.02 0.00 0.00 63.50 62.28 2zit n PRO 588 Cb 0.48 -2.35 0.72 0.00 -0.02 0.00 0.00 33.50 32.33 2zit n PRO 588 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2zit h ASP 589 N 7.25 0.00 0.40 2.55 3.32 -1.96 0.13 116.42 128.12 2zit h ASP 589 Ca -0.47 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 2zit h ASP 589 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 2zit h ASP 589 CO 0.91 0.00 -0.56 0.11 -1.72 0.00 0.00 179.24 177.98 2zit h LYS 590 N 0.00 0.17 0.06 3.56 1.57 -2.00 -2.95 116.57 116.97 2zit h LYS 590 Ca 0.23 -0.10 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 2zit h LYS 590 Cb 1.01 0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.36 2zit h LYS 590 CO -0.00 0.68 -1.13 1.49 -0.57 0.00 0.00 179.45 179.92 2zit h GLU 591 N 0.13 0.61 -0.28 3.15 4.81 -1.11 -3.16 114.58 118.72 2zit h GLU 591 Ca -0.00 -0.73 0.08 0.00 -0.13 0.00 0.00 59.36 58.58 2zit h GLU 591 Cb 1.03 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2zit h GLU 591 CO 0.08 1.31 0.21 0.37 -0.73 0.00 0.00 179.01 180.25 2zit h GLN 592 N 0.31 0.00 0.00 1.92 5.75 -1.36 -1.03 115.11 120.70 2zit h GLN 592 Ca -0.15 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.28 2zit h GLN 592 Cb 1.79 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.33 2zit h GLN 592 CO 0.21 0.00 -0.36 0.00 -2.65 0.00 0.00 178.83 176.04 2zit h ALA 593 N 1.85 1.03 -0.55 3.38 0.00 -1.48 -3.03 119.26 120.46 2zit h ALA 593 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2zit h ALA 593 Cb 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2zit h ALA 593 CO -0.00 0.44 0.00 0.44 0.00 0.00 0.00 179.25 180.13 2zit n ILE 594 N -3.57 1.28 -1.16 0.00 -5.35 -0.42 -4.54 119.36 105.61 2zit n ILE 594 Ca -0.00 -1.11 -0.01 0.00 -0.27 0.00 0.00 62.75 61.36 2zit n ILE 594 Cb 0.48 0.36 0.25 0.00 -1.74 0.00 0.00 39.64 39.00 2zit n ILE 594 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2zit n SER 595 N 0.99 3.75 -4.76 7.28 7.64 -1.03 -4.94 113.62 122.55 2zit n SER 595 Ca 0.20 -3.33 -0.40 0.00 1.01 0.00 0.00 58.87 56.35 2zit n SER 595 Cb 0.64 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.15 2zit n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2zit s ALA 596 N -3.03 3.41 0.07 -0.43 0.00 -1.26 -5.02 121.76 115.51 2zit s ALA 596 Ca 0.47 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 53.32 2zit s ALA 596 Cb 0.40 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 2zit s ALA 596 CO 0.08 -0.22 0.28 -0.51 0.00 0.00 0.00 175.76 175.39 2zit s LEU 597 N -1.28 4.33 0.88 0.00 1.43 -1.26 -4.84 118.68 117.94 2zit s LEU 597 Ca 0.46 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.91 2zit s LEU 597 Cb -0.32 -2.99 0.12 0.00 0.03 0.00 0.00 46.19 43.03 2zit s LEU 597 CO 0.41 0.15 1.12 -2.84 0.23 0.00 0.00 176.35 175.42 2zit s PRO 598 N -2.34 1.34 -0.33 1.29 0.02 -1.26 -4.97 135.00 128.75 2zit s PRO 598 Ca 0.35 1.34 -0.23 0.00 0.02 0.00 0.00 61.00 62.48 2zit s PRO 598 Cb -0.13 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2zit s PRO 598 CO 0.23 -2.34 0.77 0.34 -0.33 0.00 0.00 177.00 175.68 2zit s ASP 599 N -2.95 6.61 0.23 2.53 -1.08 -1.26 -5.04 116.67 115.70 2zit s ASP 599 Ca 0.65 0.53 -0.10 0.00 -0.52 0.00 0.00 52.55 53.10 2zit s ASP 599 Cb -0.21 -2.40 -0.07 0.00 -1.46 0.00 0.00 42.92 38.78 2zit s ASP 599 CO 0.58 -0.65 0.57 -0.31 0.52 0.00 0.00 175.17 175.87 2zit s TYR 600 N 2.99 3.43 0.22 -5.34 2.02 -1.26 -5.05 117.35 114.36 2zit s TYR 600 Ca 0.31 0.92 -0.30 0.00 -0.37 0.00 0.00 57.07 57.63 2zit s TYR 600 Cb -0.14 -2.29 -0.09 0.00 -0.40 0.00 0.00 41.96 39.04 2zit s TYR 600 CO 0.14 0.27 1.16 0.00 -1.57 0.00 0.00 175.55 175.55 2zit s ALA 601 N -1.80 3.42 -0.62 3.71 0.00 -0.99 -4.66 121.76 120.82 2zit s ALA 601 Ca 0.47 0.94 0.22 0.00 0.00 0.00 0.00 51.96 53.59 2zit s ALA 601 Cb -0.11 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 2zit s ALA 601 CO 0.21 -0.30 0.92 0.43 0.00 0.00 0.00 175.76 177.01 2zit n SER 602 N 1.98 0.60 -4.33 0.00 7.64 -1.26 -0.73 113.62 117.53 2zit n SER 602 Ca 0.02 -0.36 -0.26 0.00 1.01 0.00 0.00 58.87 59.27 2zit n SER 602 Cb 0.45 1.03 -0.13 0.00 -1.01 0.00 0.00 64.21 64.55 2zit n SER 602 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2zit s GLN 603 N -3.20 1.29 1.03 1.43 -1.52 -1.26 -4.88 119.66 112.54 2zit s GLN 603 Ca 0.03 -1.22 -0.11 0.00 -1.95 0.00 0.00 55.36 52.11 2zit s GLN 603 Cb 0.15 -1.63 0.21 0.00 -0.22 0.00 0.00 33.01 31.52 2zit s GLN 603 CO 0.83 0.39 1.09 -1.25 -0.25 0.00 0.00 175.29 176.10 2zit s PRO 604 N -1.88 0.13 0.00 2.91 0.04 -1.26 -5.03 135.00 129.91 2zit s PRO 604 Ca 0.10 1.18 0.26 0.00 0.04 0.00 0.00 61.00 62.58 2zit s PRO 604 Cb -0.10 -1.65 1.55 0.00 0.04 0.00 0.00 34.50 34.34 2zit s PRO 604 CO 0.05 -3.12 1.91 0.41 0.04 0.00 0.00 177.00 176.29