#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o2p s ILE 406 N 0.00 4.43 0.07 2.52 1.01 -1.26 -5.04 121.20 122.94 2o2p s ILE 406 Ca 0.00 1.91 -0.31 0.00 0.00 0.00 0.00 60.65 62.25 2o2p s ILE 406 Cb 0.00 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 2o2p s ILE 406 CO 0.00 0.41 1.24 0.20 0.00 0.00 0.00 174.94 176.79 2o2p s ASN 407 N -0.49 7.02 0.11 3.58 0.02 -1.26 -5.04 114.94 118.88 2o2p s ASN 407 Ca 0.42 2.09 0.09 0.00 -1.02 0.00 0.00 52.86 54.43 2o2p s ASN 407 Cb -0.23 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.42 2o2p s ASN 407 CO 0.28 -0.51 -0.23 -0.31 0.02 0.00 0.00 177.10 176.35 2o2p s TYR 408 N 1.06 1.97 -0.20 2.20 2.02 -1.26 -4.41 117.35 118.73 2o2p s TYR 408 Ca 0.60 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.67 2o2p s TYR 408 Cb -0.31 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2o2p s TYR 408 CO 0.29 0.25 0.70 0.08 -1.57 0.00 0.00 175.55 175.30 2o2p s VAL 409 N -1.12 4.96 -0.13 0.71 1.01 0.16 -4.87 120.40 121.12 2o2p s VAL 409 Ca 0.09 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.34 2o2p s VAL 409 Cb -0.10 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2o2p s VAL 409 CO 0.05 0.06 0.11 -0.70 0.00 0.00 0.00 175.10 174.62 2o2p s GLU 410 N 2.13 3.51 -0.09 2.72 2.12 -1.26 -0.86 118.70 126.97 2o2p s GLU 410 Ca 0.31 -0.21 -0.04 0.00 0.36 0.00 0.00 54.97 55.40 2o2p s GLU 410 Cb -0.16 -3.16 0.05 0.00 0.26 0.00 0.00 34.13 31.12 2o2p s GLU 410 CO 0.10 0.66 0.19 0.21 -0.54 0.00 0.00 175.26 175.88 2o2p s LYS 411 N -0.70 0.10 -0.45 4.30 2.20 -0.75 -4.98 119.74 119.47 2o2p s LYS 411 Ca 0.13 0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.03 2o2p s LYS 411 Cb -0.12 -0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.05 2o2p s LYS 411 CO 0.03 -0.23 0.83 0.00 -0.36 0.00 0.00 175.35 175.61 2o2p s ALA 412 N 1.76 3.29 -0.20 3.13 0.00 -1.26 -0.35 121.76 128.13 2o2p s ALA 412 Ca -0.04 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 50.74 2o2p s ALA 412 Cb -0.12 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.57 2o2p s ALA 412 CO -0.07 -1.93 0.75 0.54 0.00 0.00 0.00 175.76 175.06 2o2p s VAL 413 N 3.41 0.00 -1.49 0.00 0.11 -0.60 -4.96 120.40 116.87 2o2p s VAL 413 Ca 0.32 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.30 2o2p s VAL 413 Cb -0.12 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2o2p s VAL 413 CO 0.23 0.00 0.75 -3.20 -3.33 0.00 0.00 175.10 169.55 2o2p n ASN 414 N 2.00 -5.90 0.00 3.54 5.15 -1.26 -1.21 115.26 117.58 2o2p n ASN 414 Ca -0.15 -0.38 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 2o2p n ASN 414 Cb 0.56 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 2o2p n ASN 414 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2o2p n LYS 415 N -4.27 -0.63 -4.47 1.20 5.02 -1.26 -4.99 118.16 108.77 2o2p n LYS 415 Ca -0.07 0.16 -0.25 0.00 -2.02 0.00 0.00 58.31 56.13 2o2p n LYS 415 Cb 0.59 -3.69 -0.10 0.00 -0.02 0.00 0.00 35.03 31.81 2o2p n LYS 415 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2o2p s LEU 416 N 0.00 2.71 -0.51 -0.35 1.43 -0.35 -5.09 118.68 116.51 2o2p s LEU 416 Ca 0.00 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 51.97 2o2p s LEU 416 Cb 0.00 -1.13 0.13 0.00 0.03 0.00 0.00 46.19 45.22 2o2p s LEU 416 CO 0.00 -0.06 0.37 -0.89 0.23 0.00 0.00 176.35 176.00 2o2p s THR 417 N -2.53 4.05 0.26 5.49 2.01 -1.26 -1.56 115.64 122.10 2o2p s THR 417 Ca 0.31 -2.10 -0.30 0.00 0.31 0.00 0.00 61.69 59.91 2o2p s THR 417 Cb -0.02 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.73 2o2p s THR 417 CO 0.16 -0.80 1.32 -0.76 -0.69 0.00 0.00 174.62 173.86 2o2p s LEU 418 N 0.97 4.42 -0.30 4.42 1.43 0.52 -4.88 118.68 125.27 2o2p s LEU 418 Ca 0.09 2.55 0.03 0.00 -1.03 0.00 0.00 54.13 55.77 2o2p s LEU 418 Cb -0.23 -3.63 0.08 0.00 0.03 0.00 0.00 46.19 42.44 2o2p s LEU 418 CO -0.03 -0.54 -0.00 -1.10 0.23 0.00 0.00 176.35 174.91 2o2p s GLN 419 N -0.83 1.60 -0.32 1.70 -1.52 -1.26 -1.81 119.66 117.23 2o2p s GLN 419 Ca 0.54 -1.50 -0.06 0.00 -1.95 0.00 0.00 55.36 52.38 2o2p s GLN 419 Cb -0.38 -2.88 0.03 0.00 -0.22 0.00 0.00 33.01 29.55 2o2p s GLN 419 CO 0.44 -0.80 0.08 -1.64 -0.25 0.00 0.00 175.29 173.13 2o2p s MET 420 N 1.12 2.83 0.62 2.91 -1.94 -0.04 -4.92 119.30 119.88 2o2p s MET 420 Ca 0.03 -1.03 -0.18 0.00 -1.71 0.00 0.00 55.69 52.80 2o2p s MET 420 Cb -0.19 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.23 2o2p s MET 420 CO -0.09 -0.56 1.24 -2.14 -0.01 0.00 0.00 175.02 173.47 2o2p s PRO 421 N 1.44 2.76 0.00 2.03 0.02 -1.26 -0.67 135.00 139.31 2o2p s PRO 421 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.94 2o2p s PRO 421 Cb -0.18 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2o2p s PRO 421 CO 0.02 -1.40 0.40 2.48 -0.33 0.00 0.00 177.00 178.17 2o2p n TYR 422 N -1.78 0.00 -3.41 6.54 4.11 -1.26 -4.68 117.16 116.67 2o2p n TYR 422 Ca 0.15 -0.07 -0.20 0.00 -0.00 0.00 0.00 57.90 57.77 2o2p n TYR 422 Cb 0.49 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.34 39.80 2o2p n TYR 422 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 2o2p s GLN 423 N -0.15 2.64 0.68 -3.48 -0.21 -1.26 -1.15 119.66 116.72 2o2p s GLN 423 Ca 0.00 -1.43 -0.17 0.00 0.02 0.00 0.00 55.36 53.78 2o2p s GLN 423 Cb 0.00 -2.50 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2o2p s GLN 423 CO 0.00 -0.20 1.27 -0.51 -2.12 0.00 0.00 175.29 173.73 2o2p s LEU 424 N -4.19 3.48 -0.27 2.90 1.43 -0.63 -4.77 118.68 116.63 2o2p s LEU 424 Ca 0.50 2.54 0.03 0.00 -1.03 0.00 0.00 54.13 56.17 2o2p s LEU 424 Cb -0.05 -4.61 0.07 0.00 0.03 0.00 0.00 46.19 41.63 2o2p s LEU 424 CO 0.29 -2.12 -0.07 0.12 0.23 0.00 0.00 176.35 174.81 2o2p s PHE 425 N -1.59 3.26 -0.06 0.29 5.36 -0.35 -0.92 117.98 123.97 2o2p s PHE 425 Ca 0.80 -2.40 0.01 0.00 -0.96 0.00 0.00 56.93 54.38 2o2p s PHE 425 Cb -0.35 -2.10 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 2o2p s PHE 425 CO 0.42 -0.88 -0.06 0.42 -1.46 0.00 0.00 175.22 173.66 2o2p s ILE 426 N 1.10 0.67 -1.51 3.12 1.01 -0.29 -0.44 121.20 124.85 2o2p s ILE 426 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 2o2p s ILE 426 Cb -0.20 -0.69 0.07 0.00 0.01 0.00 0.00 42.46 41.66 2o2p s ILE 426 CO -0.06 0.27 0.72 0.61 0.00 0.00 0.00 174.94 176.48 2o2p n GLY 427 N 4.21 -0.37 2.33 6.18 0.00 -1.26 -1.83 105.19 114.45 2o2p n GLY 427 Ca -0.21 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2o2p n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o2p n GLY 428 N -1.68 0.63 3.13 -0.02 0.00 -1.26 -4.46 105.19 101.52 2o2p n GLY 428 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2o2p n GLY 428 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2o2p s GLU 429 N -0.06 0.72 -0.11 1.61 -1.05 -0.76 -5.03 118.70 114.02 2o2p s GLU 429 Ca 0.00 -0.86 -0.23 0.00 -0.15 0.00 0.00 54.97 53.73 2o2p s GLU 429 Cb 0.00 -0.64 -0.03 0.00 -0.44 0.00 0.00 34.13 33.02 2o2p s GLU 429 CO 0.00 0.14 0.72 -0.06 0.95 0.00 0.00 175.26 177.01 2o2p s PHE 430 N -1.25 3.50 0.01 4.83 0.40 -1.26 -1.14 117.98 123.07 2o2p s PHE 430 Ca -0.04 1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 57.45 2o2p s PHE 430 Cb -0.10 -2.85 -0.01 0.00 0.51 0.00 0.00 43.02 40.57 2o2p s PHE 430 CO 0.01 -0.04 0.03 0.14 0.70 0.00 0.00 175.22 176.07 2o2p s VAL 431 N 1.32 0.08 0.74 -0.44 -7.23 -0.10 -4.96 120.40 109.80 2o2p s VAL 431 Ca 0.36 -0.65 -0.15 0.00 -1.81 0.00 0.00 61.98 59.73 2o2p s VAL 431 Cb -0.17 -0.27 0.04 0.00 0.56 0.00 0.00 36.38 36.55 2o2p s VAL 431 CO 0.15 -0.36 1.20 -1.81 -0.31 0.00 0.00 175.10 173.97 2o2p s ASP 432 N -1.11 4.16 0.91 4.85 1.01 -1.26 -1.61 116.67 123.62 2o2p s ASP 432 Ca -0.12 2.32 -0.12 0.00 0.71 0.00 0.00 52.55 55.34 2o2p s ASP 432 Cb -0.07 -2.59 0.14 0.00 1.01 0.00 0.00 42.92 41.41 2o2p s ASP 432 CO -0.00 -2.28 1.10 0.00 0.21 0.00 0.00 175.17 174.20 2o2p s ALA 433 N -2.05 1.56 0.26 5.23 0.00 -1.26 -4.86 121.76 120.64 2o2p s ALA 433 Ca 0.73 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 2o2p s ALA 433 Cb -0.28 -3.13 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 2o2p s ALA 433 CO 0.46 -2.35 1.39 -1.91 0.00 0.00 0.00 175.76 173.35 2o2p n GLU 434 N -3.86 2.07 -0.93 0.00 2.13 -1.26 -0.91 120.64 117.88 2o2p n GLU 434 Ca 0.06 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2o2p n GLU 434 Cb 0.57 -2.38 0.00 0.00 0.27 0.00 0.00 31.44 29.90 2o2p n GLU 434 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2o2p n GLY 435 N 1.92 0.29 2.78 8.31 0.00 -1.26 -3.18 105.19 114.06 2o2p n GLY 435 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 2o2p n GLY 435 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2o2p n SER 436 N -0.40 -4.47 -4.77 1.61 7.64 -0.09 -4.94 113.62 108.21 2o2p n SER 436 Ca 0.00 -0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.40 2o2p n SER 436 Cb 0.20 -3.72 -0.02 0.00 -1.01 0.00 0.00 64.21 59.66 2o2p n SER 436 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2o2p s LYS 437 N -5.41 4.30 0.23 1.43 1.02 -1.19 -4.90 119.74 115.22 2o2p s LYS 437 Ca 0.16 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.44 2o2p s LYS 437 Cb -0.08 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2o2p s LYS 437 CO 0.20 -0.28 0.12 0.95 -0.92 0.00 0.00 175.35 175.42 2o2p s THR 438 N -1.00 0.24 0.12 2.17 -4.23 -1.26 -1.17 115.64 110.52 2o2p s THR 438 Ca 0.51 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 2o2p s THR 438 Cb -0.41 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 2o2p s THR 438 CO 0.54 0.00 0.15 -0.72 -0.54 0.00 0.00 174.62 174.05 2o2p s TYR 439 N -3.98 0.50 -0.01 3.99 -0.85 -0.14 -4.78 117.35 112.07 2o2p s TYR 439 Ca 0.38 -0.91 -0.17 0.00 -0.52 0.00 0.00 57.07 55.86 2o2p s TYR 439 Cb 0.07 -0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.13 2o2p s TYR 439 CO 0.13 -0.58 0.47 -0.80 -1.52 0.00 0.00 175.55 173.25 2o2p s ASN 440 N -2.96 6.84 -0.15 -0.18 0.01 -1.26 -0.48 114.94 116.77 2o2p s ASN 440 Ca 0.15 1.00 -0.07 0.00 -0.71 0.00 0.00 52.86 53.24 2o2p s ASN 440 Cb 0.05 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 2o2p s ASN 440 CO -0.03 0.22 0.09 0.28 -1.51 0.00 0.00 177.10 176.15 2o2p s THR 441 N -0.62 5.07 -0.12 1.60 -1.32 -0.79 -4.96 115.64 114.50 2o2p s THR 441 Ca 0.26 0.05 -0.01 0.00 -1.21 0.00 0.00 61.69 60.78 2o2p s THR 441 Cb -0.17 -3.23 -0.02 0.00 -1.51 0.00 0.00 72.50 67.56 2o2p s THR 441 CO 0.14 0.54 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.37 2o2p s ILE 442 N -0.37 3.49 -0.28 5.08 -1.09 -1.26 -0.65 121.20 126.11 2o2p s ILE 442 Ca 0.10 -0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 2o2p s ILE 442 Cb -0.12 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.29 2o2p s ILE 442 CO 0.02 0.54 1.26 0.21 -1.23 0.00 0.00 174.94 175.73 2o2p s ASN 443 N -0.01 6.75 0.00 3.58 3.84 0.42 -4.86 114.94 124.67 2o2p s ASN 443 Ca -0.01 1.25 0.19 0.00 0.21 0.00 0.00 52.86 54.49 2o2p s ASN 443 Cb -0.14 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.84 2o2p s ASN 443 CO 0.03 -1.00 1.60 -0.81 -2.79 0.00 0.00 177.10 174.13 2o2p n PRO 444 N 7.14 0.03 0.11 0.43 -0.04 -1.26 0.18 135.00 141.60 2o2p n PRO 444 Ca 0.14 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2o2p n PRO 444 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 2o2p n PRO 444 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2o2p h THR 445 N 0.00 1.44 0.00 0.52 2.02 -1.90 -0.22 112.91 114.77 2o2p h THR 445 Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.56 2o2p h THR 445 Cb 0.31 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 2o2p h THR 445 CO 0.00 0.73 0.00 -0.90 0.37 0.00 0.00 175.52 175.72 2o2p n ASP 446 N -3.52 0.00 0.00 4.18 3.85 -1.15 -3.12 116.55 116.80 2o2p n ASP 446 Ca -0.00 -0.99 0.00 0.00 -0.71 0.00 0.00 54.79 53.09 2o2p n ASP 446 Cb 0.75 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.52 2o2p n ASP 446 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2o2p n GLY 447 N 0.00 0.72 3.82 6.12 0.00 0.13 -4.27 105.19 111.71 2o2p n GLY 447 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2o2p n GLY 447 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o2p s SER 448 N -2.55 5.76 -0.12 1.61 1.04 -1.23 -4.71 113.70 113.51 2o2p s SER 448 Ca 0.00 1.70 -0.29 0.00 0.48 0.00 0.00 55.95 57.84 2o2p s SER 448 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 2o2p s SER 448 CO 0.00 -1.18 0.98 -0.69 0.98 0.00 0.00 173.24 173.32 2o2p s VAL 449 N -2.71 4.80 -0.09 5.02 1.01 -1.26 -0.43 120.40 126.72 2o2p s VAL 449 Ca 0.61 1.98 -0.23 0.00 0.00 0.00 0.00 61.98 64.34 2o2p s VAL 449 Cb -0.14 -4.29 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 2o2p s VAL 449 CO 0.43 0.01 0.77 0.40 0.00 0.00 0.00 175.10 176.71 2o2p h ILE 450 N 5.11 1.25 -2.02 2.22 2.04 -1.23 -3.47 117.51 121.41 2o2p h ILE 450 Ca -0.31 -1.67 0.26 0.00 1.00 0.00 0.00 64.86 64.14 2o2p h ILE 450 Cb 1.14 2.25 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 2o2p h ILE 450 CO 0.85 0.38 0.70 0.00 0.00 0.00 0.00 178.15 180.09 2o2p s GLN 452 N -2.52 4.22 0.02 0.00 1.11 -1.26 -1.88 119.66 119.35 2o2p s GLN 452 Ca 0.18 0.75 0.07 0.00 0.01 0.00 0.00 55.36 56.37 2o2p s GLN 452 Cb 0.01 -3.25 -0.02 0.00 -1.01 0.00 0.00 33.01 28.74 2o2p s GLN 452 CO 0.00 0.61 -0.21 0.08 0.01 0.00 0.00 175.29 175.79 2o2p s VAL 453 N -1.03 1.69 0.43 1.09 1.01 0.37 -4.86 120.40 119.10 2o2p s VAL 453 Ca 0.29 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 2o2p s VAL 453 Cb -0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 2o2p s VAL 453 CO 0.19 0.30 1.41 -1.20 0.00 0.00 0.00 175.10 175.80 2o2p n SER 454 N 2.08 3.26 -4.14 3.32 7.64 -0.30 -0.97 113.62 124.51 2o2p n SER 454 Ca -0.16 1.14 -0.38 0.00 1.01 0.00 0.00 58.87 60.47 2o2p n SER 454 Cb 0.53 -1.59 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 2o2p n SER 454 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2o2p s LEU 455 N -2.38 5.42 0.21 -3.43 2.96 -0.31 -4.26 118.68 116.90 2o2p s LEU 455 Ca 0.60 -2.32 -0.32 0.00 -0.22 0.00 0.00 54.13 51.86 2o2p s LEU 455 Cb -0.47 -1.90 -0.14 0.00 0.50 0.00 0.00 46.19 44.19 2o2p s LEU 455 CO 0.59 -0.52 1.47 0.00 -1.32 0.00 0.00 176.35 176.57 2o2p n ALA 456 N 4.25 1.21 -2.17 5.97 0.00 -0.58 -4.70 120.51 124.49 2o2p n ALA 456 Ca 0.01 0.42 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 2o2p n ALA 456 Cb 0.40 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.53 2o2p n ALA 456 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2o2p s GLN 457 N 0.03 2.58 0.22 0.00 -1.52 -1.26 -4.66 119.66 115.06 2o2p s GLN 457 Ca 0.72 -1.49 -0.08 0.00 -1.95 0.00 0.00 55.36 52.56 2o2p s GLN 457 Cb -0.66 -2.46 0.31 0.00 -0.22 0.00 0.00 33.01 29.98 2o2p s GLN 457 CO 0.46 -0.24 1.79 0.28 -0.25 0.00 0.00 175.29 177.33 2o2p h VAL 458 N 0.91 0.90 -0.40 1.09 2.07 -1.95 -0.83 116.25 118.05 2o2p h VAL 458 Ca -0.41 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2o2p h VAL 458 Cb 1.27 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2o2p h VAL 458 CO 0.54 0.12 0.27 0.77 0.02 0.00 0.00 177.57 179.29 2o2p h SER 459 N 0.65 0.40 -0.37 0.57 4.64 -1.99 -0.86 113.55 116.59 2o2p h SER 459 Ca 0.33 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 2o2p h SER 459 Cb 0.30 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2o2p h SER 459 CO -0.23 0.28 -0.35 0.44 -0.87 0.00 0.00 176.83 176.10 2o2p h ASP 460 N 0.47 0.95 -0.34 4.97 3.32 -1.58 -1.22 116.42 122.98 2o2p h ASP 460 Ca 0.16 -0.46 0.01 0.00 0.02 0.00 0.00 57.03 56.76 2o2p h ASP 460 Cb 0.05 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2o2p h ASP 460 CO -0.04 1.21 0.20 0.58 -1.72 0.00 0.00 179.24 179.48 2o2p h VAL 461 N 0.70 1.03 -0.85 -1.35 2.07 -0.56 -0.81 116.25 116.48 2o2p h VAL 461 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2o2p h VAL 461 Cb 0.94 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2o2p h VAL 461 CO 0.09 0.07 0.54 0.44 0.02 0.00 0.00 177.57 178.74 2o2p h ASP 462 N 0.41 1.00 -0.73 0.57 3.45 -1.07 -0.84 116.42 119.20 2o2p h ASP 462 Ca 0.14 -0.04 -0.05 0.00 0.43 0.00 0.00 57.03 57.51 2o2p h ASP 462 Cb 0.00 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.49 2o2p h ASP 462 CO -0.06 0.74 0.26 0.11 -1.57 0.00 0.00 179.24 178.71 2o2p h LYS 463 N 1.17 1.12 -0.26 3.56 1.57 -0.77 -0.70 116.57 122.26 2o2p h LYS 463 Ca 0.31 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 2o2p h LYS 463 Cb -0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 2o2p h LYS 463 CO -0.06 0.94 -0.01 0.00 -0.57 0.00 0.00 179.45 179.75 2o2p h ALA 464 N 1.13 0.35 -0.63 3.86 0.00 -0.59 -1.18 119.26 122.20 2o2p h ALA 464 Ca 0.24 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 464 Cb 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2o2p h ALA 464 CO -0.01 0.10 0.29 0.28 0.00 0.00 0.00 179.25 179.91 2o2p h VAL 465 N 0.24 1.22 -0.85 0.00 2.07 -1.06 -0.50 116.25 117.37 2o2p h VAL 465 Ca 0.07 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2o2p h VAL 465 Cb 0.43 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2o2p h VAL 465 CO 0.01 0.26 0.55 0.00 0.02 0.00 0.00 177.57 178.41 2o2p h ALA 466 N 1.13 1.11 -0.40 1.67 0.00 -0.94 0.15 119.26 121.97 2o2p h ALA 466 Ca 0.22 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2o2p h ALA 466 Cb 0.13 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2o2p h ALA 466 CO -0.03 0.41 0.06 0.00 0.00 0.00 0.00 179.25 179.69 2o2p h ALA 467 N 1.34 0.54 -0.66 0.00 0.00 -0.82 -0.95 119.26 118.71 2o2p h ALA 467 Ca 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2o2p h ALA 467 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2o2p h ALA 467 CO -0.10 0.26 0.25 0.00 0.00 0.00 0.00 179.25 179.65 2o2p h ALA 468 N 0.92 0.85 -0.19 0.00 0.00 -0.67 -0.64 119.26 119.53 2o2p h ALA 468 Ca 0.12 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2o2p h ALA 468 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2o2p h ALA 468 CO 0.01 0.49 0.08 -0.22 0.00 0.00 0.00 179.25 179.60 2o2p h LYS 469 N 0.93 0.29 -0.69 0.00 3.64 -0.58 -0.79 116.57 119.38 2o2p h LYS 469 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2o2p h LYS 469 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2o2p h LYS 469 CO -0.02 0.35 0.44 1.49 -2.27 0.00 0.00 179.45 179.45 2o2p h GLU 470 N 0.16 0.92 -0.86 1.90 4.57 -1.03 0.09 114.58 120.32 2o2p h GLU 470 Ca 0.06 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2o2p h GLU 470 Cb 0.17 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2o2p h GLU 470 CO -0.01 0.63 0.45 0.00 -1.18 0.00 0.00 179.01 178.91 2o2p h ALA 471 N 1.24 1.10 -0.03 2.92 0.00 -0.87 -0.36 119.26 123.26 2o2p h ALA 471 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2o2p h ALA 471 Cb -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.38 2o2p h ALA 471 CO -0.05 0.63 -0.08 0.35 0.00 0.00 0.00 179.25 180.09 2o2p h PHE 472 N 1.20 0.14 0.06 0.00 3.57 -0.82 -2.72 116.94 118.37 2o2p h PHE 472 Ca 0.30 -0.05 -0.25 0.00 3.53 0.00 0.00 57.97 61.50 2o2p h PHE 472 Cb 0.05 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2o2p h PHE 472 CO 0.01 0.69 -1.08 0.93 -2.23 0.00 0.00 178.31 176.63 2o2p h GLU 473 N -0.45 0.37 0.00 1.11 5.08 -0.90 -3.38 114.58 116.41 2o2p h GLU 473 Ca -0.00 -0.48 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2o2p h GLU 473 Cb 0.69 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2o2p h GLU 473 CO 0.02 1.16 -0.51 0.09 -1.00 0.00 0.00 179.01 178.77 2o2p n ASN 474 N -3.67 2.57 -4.58 1.42 3.02 -0.20 -5.01 115.26 108.81 2o2p n ASN 474 Ca -0.08 -0.06 -0.27 0.00 -0.03 0.00 0.00 54.58 54.14 2o2p n ASN 474 Cb 0.91 0.64 0.12 0.00 -0.61 0.00 0.00 39.78 40.85 2o2p n ASN 474 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2o2p s GLY 475 N -1.16 1.73 0.44 7.41 0.00 -0.87 -4.97 107.32 109.91 2o2p s GLY 475 Ca 0.00 -1.21 0.13 0.00 0.00 0.00 0.00 44.72 43.64 2o2p s GLY 475 CO 0.00 -0.63 2.02 -2.00 0.00 0.00 0.00 173.10 172.49 2o2p h LEU 476 N -0.98 0.35 -1.24 0.66 5.85 -1.93 -2.84 115.31 115.18 2o2p h LEU 476 Ca -0.42 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.38 2o2p h LEU 476 Cb 1.28 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 2o2p h LEU 476 CO 0.48 0.23 0.55 -0.25 -0.34 0.00 0.00 178.44 179.11 2o2p h TRP 477 N 0.40 0.91 -0.00 1.25 2.91 -1.93 -0.32 115.95 119.16 2o2p h TRP 477 Ca 0.22 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.26 2o2p h TRP 477 Cb 0.36 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.71 2o2p h TRP 477 CO -0.00 0.44 -0.05 0.41 -1.03 0.00 0.00 178.44 178.20 2o2p n GLY 478 N -1.42 -0.85 0.05 2.65 0.00 -1.07 -4.00 105.19 100.55 2o2p n GLY 478 Ca 0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 2o2p n GLY 478 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o2p n LYS 479 N -0.84 2.10 -1.37 1.61 5.02 -0.20 -5.04 118.16 119.44 2o2p n LYS 479 Ca 0.18 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 2o2p n LYS 479 Cb 0.24 -1.26 0.08 0.00 -0.02 0.00 0.00 35.03 34.07 2o2p n LYS 479 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2o2p s ILE 480 N -2.31 3.58 0.60 -0.18 -4.36 -0.77 -4.99 121.20 112.78 2o2p s ILE 480 Ca -0.05 0.51 -0.19 0.00 -0.26 0.00 0.00 60.65 60.67 2o2p s ILE 480 Cb 0.03 -3.09 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 2o2p s ILE 480 CO 0.42 -0.67 1.22 0.20 0.24 0.00 0.00 174.94 176.35 2o2p s ASN 481 N -3.54 5.07 0.26 4.36 0.01 -1.26 -4.84 114.94 115.00 2o2p s ASN 481 Ca 0.60 2.43 -0.02 0.00 -0.71 0.00 0.00 52.86 55.15 2o2p s ASN 481 Cb -0.16 -2.60 0.49 0.00 0.41 0.00 0.00 41.25 39.39 2o2p s ASN 481 CO 0.56 -1.68 1.77 0.00 -1.51 0.00 0.00 177.10 176.24 2o2p h ALA 482 N 0.80 1.23 -0.80 0.60 0.00 -1.94 -0.57 119.26 118.58 2o2p h ALA 482 Ca -0.50 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.53 2o2p h ALA 482 Cb 1.30 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2o2p h ALA 482 CO 0.55 -0.05 0.52 -0.09 0.00 0.00 0.00 179.25 180.18 2o2p h ARG 483 N 0.66 0.90 0.02 0.00 2.43 -1.91 -0.74 114.38 115.74 2o2p h ARG 483 Ca 0.44 -0.05 -0.21 0.00 -0.81 0.00 0.00 59.98 59.35 2o2p h ARG 483 Cb 0.57 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2o2p h ARG 483 CO -0.33 0.59 -0.98 -0.44 -1.51 0.00 0.00 179.97 177.30 2o2p h ASP 484 N 0.92 0.12 -0.71 -3.80 3.32 -1.54 -1.21 116.42 113.52 2o2p h ASP 484 Ca 0.33 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.28 2o2p h ASP 484 Cb 0.14 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 2o2p h ASP 484 CO -0.11 1.02 0.47 -0.09 -1.72 0.00 0.00 179.24 178.81 2o2p h ARG 485 N 0.03 0.91 -0.39 3.56 2.43 -0.64 -1.84 114.38 118.45 2o2p h ARG 485 Ca -0.04 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.10 2o2p h ARG 485 Cb 1.68 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 31.00 2o2p h ARG 485 CO 0.14 0.60 0.20 0.78 -1.51 0.00 0.00 179.97 180.19 2o2p h GLY 486 N 0.94 0.53 0.78 2.80 0.00 -0.87 -1.51 103.07 105.74 2o2p h GLY 486 Ca 0.27 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.50 2o2p h GLY 486 CO -0.07 0.11 0.58 3.21 0.00 0.00 0.00 176.54 180.37 2o2p h ARG 487 N 0.41 1.04 -0.50 4.80 2.47 -0.84 -0.13 114.38 121.64 2o2p h ARG 487 Ca 0.16 -0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.72 2o2p h ARG 487 Cb 0.05 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 2o2p h ARG 487 CO -0.10 0.69 -0.08 -0.07 0.56 0.00 0.00 179.97 180.97 2o2p h LEU 488 N 1.07 0.89 -0.55 3.04 3.38 -0.78 -0.68 115.31 121.67 2o2p h LEU 488 Ca 0.38 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 2o2p h LEU 488 Cb 0.11 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2o2p h LEU 488 CO -0.15 0.99 -0.55 -0.07 0.09 0.00 0.00 178.44 178.74 2o2p h LEU 489 N 0.81 0.55 -1.10 1.67 3.38 -0.63 -0.05 115.31 119.94 2o2p h LEU 489 Ca 0.14 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2o2p h LEU 489 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2o2p h LEU 489 CO 0.04 0.99 -0.23 0.22 0.09 0.00 0.00 178.44 179.55 2o2p h TYR 490 N 0.38 0.39 -0.36 1.13 3.20 -0.83 -1.57 116.97 119.31 2o2p h TYR 490 Ca 0.01 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 2o2p h TYR 490 Cb 1.09 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2o2p h TYR 490 CO 0.04 0.56 -0.12 -0.09 -1.64 0.00 0.00 178.16 176.91 2o2p h ARG 491 N 0.32 0.72 -0.68 1.82 9.65 -0.87 -1.84 114.38 123.50 2o2p h ARG 491 Ca 0.05 -0.29 0.06 0.00 -1.10 0.00 0.00 59.98 58.70 2o2p h ARG 491 Cb 0.58 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.07 2o2p h ARG 491 CO 0.04 0.89 0.38 1.25 2.80 0.00 0.00 179.97 185.33 2o2p h LEU 492 N 0.51 0.58 -0.79 3.80 5.85 -0.72 -0.10 115.31 124.44 2o2p h LEU 492 Ca 0.09 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2o2p h LEU 492 Cb 0.64 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2o2p h LEU 492 CO 0.04 0.38 0.43 0.00 -0.34 0.00 0.00 178.44 178.95 2o2p h ALA 493 N 1.34 1.01 -0.84 1.25 0.00 -1.18 -0.41 119.26 120.44 2o2p h ALA 493 Ca 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2o2p h ALA 493 Cb 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2o2p h ALA 493 CO -0.17 0.52 0.55 -0.44 0.00 0.00 0.00 179.25 179.71 2o2p h ASP 494 N 1.09 0.96 -0.39 0.00 3.45 -0.49 -0.18 116.42 120.86 2o2p h ASP 494 Ca 0.28 -0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.64 2o2p h ASP 494 Cb 0.03 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.55 2o2p h ASP 494 CO -0.04 0.69 -0.03 0.58 -1.57 0.00 0.00 179.24 178.87 2o2p h VAL 495 N 1.13 1.27 -0.68 -1.35 2.07 -0.54 -0.47 116.25 117.67 2o2p h VAL 495 Ca 0.31 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.82 2o2p h VAL 495 Cb -0.13 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2o2p h VAL 495 CO -0.07 0.36 0.40 0.24 0.02 0.00 0.00 177.57 178.52 2o2p h MET 496 N 0.53 0.73 -0.78 1.57 2.86 -0.79 -1.66 114.93 117.40 2o2p h MET 496 Ca 0.11 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2o2p h MET 496 Cb 0.51 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2o2p h MET 496 CO 0.03 0.49 0.39 1.49 1.06 0.00 0.00 176.91 180.36 2o2p h GLU 497 N 0.76 1.11 0.00 1.72 4.81 -0.68 -1.38 114.58 120.91 2o2p h GLU 497 Ca 0.29 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2o2p h GLU 497 Cb 0.11 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2o2p h GLU 497 CO -0.15 0.85 -0.06 1.96 -0.73 0.00 0.00 179.01 180.87 2o2p h GLN 498 N 1.09 0.00 -0.37 1.92 4.20 -0.51 -2.08 115.11 119.36 2o2p h GLN 498 Ca 0.27 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.87 2o2p h GLN 498 Cb 0.09 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2o2p h GLN 498 CO -0.04 0.06 0.03 0.72 -0.67 0.00 0.00 178.83 178.93 2o2p n HIS 499 N -3.55 1.22 -0.19 2.96 8.25 -0.64 -4.81 115.22 118.47 2o2p n HIS 499 Ca -0.02 -1.21 -0.08 0.00 -0.26 0.00 0.00 57.72 56.16 2o2p n HIS 499 Cb 0.18 -0.44 0.06 0.00 1.12 0.00 0.00 29.99 30.91 2o2p n HIS 499 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 2o2p h GLN 500 N 1.55 1.01 -0.56 -0.41 3.07 -0.55 -0.57 115.11 118.65 2o2p h GLN 500 Ca 0.13 -0.31 -0.09 0.00 0.09 0.00 0.00 58.65 58.47 2o2p h GLN 500 Cb 1.66 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 29.11 2o2p h GLN 500 CO 0.37 0.99 0.01 0.93 0.09 0.00 0.00 178.83 181.22 2o2p h GLU 501 N 0.93 0.98 -0.25 0.06 3.07 -1.87 -0.64 114.58 116.86 2o2p h GLU 501 Ca 0.17 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2o2p h GLU 501 Cb 0.54 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2o2p h GLU 501 CO 0.03 0.98 0.11 1.49 -1.40 0.00 0.00 179.01 180.22 2o2p h GLU 502 N 0.87 0.36 -0.65 2.33 4.81 -1.84 -0.75 114.58 119.71 2o2p h GLU 502 Ca 0.16 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2o2p h GLU 502 Cb 0.52 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 2o2p h GLU 502 CO 0.03 0.38 0.31 -0.07 -0.73 0.00 0.00 179.01 178.93 2o2p h LEU 503 N 0.26 0.85 -1.01 1.64 3.38 -0.96 -1.00 115.31 118.47 2o2p h LEU 503 Ca 0.08 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2o2p h LEU 503 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2o2p h LEU 503 CO -0.01 0.74 -0.01 0.00 0.09 0.00 0.00 178.44 179.25 2o2p h ALA 504 N 1.14 1.18 -0.45 1.53 0.00 -0.99 -0.97 119.26 120.71 2o2p h ALA 504 Ca 0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2o2p h ALA 504 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2o2p h ALA 504 CO -0.03 0.53 -0.02 1.15 0.00 0.00 0.00 179.25 180.88 2o2p h THR 505 N 0.65 1.26 -0.77 0.00 2.02 -0.79 -0.70 112.91 114.59 2o2p h THR 505 Ca 0.13 -1.08 -0.03 0.00 0.77 0.00 0.00 66.41 66.19 2o2p h THR 505 Cb 0.43 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2o2p h THR 505 CO 0.02 0.37 0.36 0.40 0.37 0.00 0.00 175.52 177.04 2o2p h ILE 506 N 0.64 1.25 -0.42 3.11 2.04 -0.90 -0.88 117.51 122.35 2o2p h ILE 506 Ca 0.12 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 2o2p h ILE 506 Cb 0.53 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2o2p h ILE 506 CO 0.03 0.30 -0.09 -0.08 0.00 0.00 0.00 178.15 178.31 2o2p h GLU 507 N 1.10 0.74 -0.36 2.37 4.57 -1.00 0.23 114.58 122.23 2o2p h GLU 507 Ca 0.26 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2o2p h GLU 507 Cb 0.14 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2o2p h GLU 507 CO -0.03 0.81 0.23 0.00 -1.18 0.00 0.00 179.01 178.84 2o2p h ALA 508 N 1.22 0.45 -0.33 2.92 0.00 -0.57 -0.07 119.26 122.88 2o2p h ALA 508 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2o2p h ALA 508 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2o2p h ALA 508 CO 0.03 -0.07 0.06 -0.07 0.00 0.00 0.00 179.25 179.21 2o2p h LEU 509 N 0.47 0.52 0.05 0.00 4.07 -0.83 -1.50 115.31 118.10 2o2p h LEU 509 Ca 0.13 -0.25 -0.30 0.00 0.08 0.00 0.00 57.88 57.54 2o2p h LEU 509 Cb -0.03 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 2o2p h LEU 509 CO -0.03 0.64 -1.64 -0.78 -1.08 0.00 0.00 178.44 175.56 2o2p h ASP 510 N 0.38 0.16 -0.00 -0.43 3.58 -0.91 -3.37 116.42 115.83 2o2p h ASP 510 Ca 0.10 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.27 2o2p h ASP 510 Cb 0.34 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.34 2o2p h ASP 510 CO 0.01 1.25 -0.21 0.00 -2.88 0.00 0.00 179.24 177.40 2o2p n ALA 511 N -2.63 2.62 -1.08 -0.78 0.00 -0.05 -4.76 120.51 113.84 2o2p n ALA 511 Ca -0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 2o2p n ALA 511 Cb 1.04 -0.17 -0.01 0.00 0.00 0.00 0.00 19.45 20.30 2o2p n ALA 511 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 512 N 1.05 0.58 3.70 0.00 0.00 -0.56 -4.29 105.19 105.67 2o2p n GLY 512 Ca 0.01 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 2o2p n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 513 N -1.97 3.68 0.19 4.61 0.00 -1.20 -4.13 121.76 122.94 2o2p s ALA 513 Ca 0.00 1.20 -0.33 0.00 0.00 0.00 0.00 51.96 52.83 2o2p s ALA 513 Cb 0.00 -3.64 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 2o2p s ALA 513 CO 0.00 -0.93 1.67 0.28 0.00 0.00 0.00 175.76 176.78 2o2p n VAL 514 N 4.42 0.02 -0.09 0.00 0.31 -1.26 -3.89 118.33 117.83 2o2p n VAL 514 Ca 0.14 -0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.41 2o2p n VAL 514 Cb 0.41 -1.83 0.01 0.00 -0.91 0.00 0.00 33.84 31.52 2o2p n VAL 514 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2o2p h TYR 515 N 6.44 0.10 -1.00 3.52 3.20 -1.20 0.34 116.97 128.38 2o2p h TYR 515 Ca -0.44 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.51 2o2p h TYR 515 Cb 1.22 0.00 -0.07 0.00 1.54 0.00 0.00 36.73 39.43 2o2p h TYR 515 CO 0.63 0.02 0.65 1.79 -1.64 0.00 0.00 178.16 179.61 2o2p h THR 516 N 0.18 1.10 -0.35 1.81 1.35 -1.90 0.29 112.91 115.38 2o2p h THR 516 Ca 0.16 -0.41 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 2o2p h THR 516 Cb 0.17 -0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 66.40 2o2p h THR 516 CO -0.21 0.22 -0.36 0.25 -0.25 0.00 0.00 175.52 175.17 2o2p h LEU 517 N 1.18 0.93 -0.83 3.87 7.12 -1.67 -2.84 115.31 123.06 2o2p h LEU 517 Ca 0.43 -0.47 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2o2p h LEU 517 Cb 0.15 -0.26 -0.04 0.00 -0.53 0.00 0.00 40.66 39.98 2o2p h LEU 517 CO -0.17 1.21 0.48 0.00 -0.13 0.00 0.00 178.44 179.83 2o2p h ALA 518 N 0.75 1.06 0.13 1.25 0.00 0.48 0.32 119.26 123.24 2o2p h ALA 518 Ca 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2o2p h ALA 518 Cb 0.95 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2o2p h ALA 518 CO 0.09 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 179.76 2o2p h LEU 519 N 1.15 -0.14 -0.03 0.00 3.38 -0.96 0.28 115.31 118.98 2o2p h LEU 519 Ca 0.30 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.02 2o2p h LEU 519 Cb -0.01 0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.80 2o2p h LEU 519 CO -0.05 -0.10 -0.95 0.50 0.09 0.00 0.00 178.44 177.93 2o2p h LYS 520 N -0.17 0.70 0.00 1.13 3.64 -1.23 -1.24 116.57 119.40 2o2p h LYS 520 Ca -0.02 -0.71 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 2o2p h LYS 520 Cb 0.13 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2o2p h LYS 520 CO 0.03 1.30 -0.04 2.41 -2.27 0.00 0.00 179.45 180.87 2o2p n THR 521 N -3.91 0.09 -0.16 1.00 -1.04 0.11 -3.39 114.28 106.97 2o2p n THR 521 Ca -0.10 0.36 -0.02 0.00 -2.04 0.00 0.00 64.05 62.25 2o2p n THR 521 Cb 0.84 -1.41 0.07 0.00 -1.82 0.00 0.00 70.33 68.00 2o2p n THR 521 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 2o2p h HIS 522 N -0.04 0.07 0.02 -1.42 3.86 -1.48 0.61 115.15 116.77 2o2p h HIS 522 Ca 0.00 0.03 -0.31 0.00 -1.16 0.00 0.00 60.37 58.94 2o2p h HIS 522 Cb 0.04 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 2o2p h HIS 522 CO -0.02 -0.06 -1.69 0.28 0.86 0.00 0.00 177.93 177.30 2o2p n VAL 523 N -5.17 1.57 -0.16 2.45 0.31 0.96 -3.69 118.33 114.59 2o2p n VAL 523 Ca 0.06 -0.22 -0.02 0.00 -0.01 0.00 0.00 64.34 64.14 2o2p n VAL 523 Cb 0.27 -1.93 0.07 0.00 -0.91 0.00 0.00 33.84 31.34 2o2p n VAL 523 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2o2p h GLY 524 N -0.53 0.67 1.96 2.92 0.00 -1.20 -1.11 103.07 105.79 2o2p h GLY 524 Ca -0.44 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 2o2p h GLY 524 CO -0.20 -0.02 -0.53 1.98 0.00 0.00 0.00 176.54 177.77 2o2p h MET 525 N 0.33 0.04 -0.62 4.80 4.05 -0.88 -1.88 114.93 120.76 2o2p h MET 525 Ca 0.25 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 2o2p h MET 525 Cb 0.29 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 2o2p h MET 525 CO -0.28 0.56 0.35 0.77 0.23 0.00 0.00 176.91 178.55 2o2p h SER 526 N 0.03 0.77 -0.29 1.39 0.02 -1.34 0.12 113.55 114.25 2o2p h SER 526 Ca -0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2o2p h SER 526 Cb 0.95 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2o2p h SER 526 CO 0.07 0.63 0.08 0.40 -1.14 0.00 0.00 176.83 176.87 2o2p h ILE 527 N 0.85 1.21 -0.73 3.27 2.04 -0.99 -2.18 117.51 120.98 2o2p h ILE 527 Ca 0.22 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.46 2o2p h ILE 527 Cb 0.02 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2o2p h ILE 527 CO -0.04 0.23 0.48 1.56 0.00 0.00 0.00 178.15 180.38 2o2p h GLN 528 N 0.31 0.76 -0.04 2.37 4.20 -0.98 -1.97 115.11 119.76 2o2p h GLN 528 Ca 0.09 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2o2p h GLN 528 Cb 0.27 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2o2p h GLN 528 CO -0.00 0.50 0.01 1.15 -0.67 0.00 0.00 178.83 179.82 2o2p h THR 529 N 0.78 1.17 -0.64 -0.54 2.02 -0.18 0.90 112.91 116.42 2o2p h THR 529 Ca 0.31 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2o2p h THR 529 Cb 0.24 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2o2p h THR 529 CO -0.10 0.14 0.15 -0.26 0.37 0.00 0.00 175.52 175.81 2o2p h PHE 530 N -0.14 1.06 -0.57 3.16 -1.00 -1.19 -1.62 116.94 116.65 2o2p h PHE 530 Ca 0.01 -0.12 -0.10 0.00 2.81 0.00 0.00 57.97 60.57 2o2p h PHE 530 Cb 0.21 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 2o2p h PHE 530 CO -0.01 0.87 -0.06 0.00 -1.61 0.00 0.00 178.31 177.51 2o2p h ARG 531 N 0.97 1.03 0.47 1.51 3.08 -1.20 -0.12 114.38 120.12 2o2p h ARG 531 Ca 0.20 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2o2p h ARG 531 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2o2p h ARG 531 CO 0.00 1.04 -0.23 -0.92 -1.07 0.00 0.00 179.97 178.80 2o2p h TYR 532 N 0.93 -0.59 -0.03 3.04 3.20 -0.53 -2.87 116.97 120.12 2o2p h TYR 532 Ca 0.15 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.91 2o2p h TYR 532 Cb 0.61 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2o2p h TYR 532 CO 0.04 -0.34 -0.44 0.74 -1.64 0.00 0.00 178.16 176.52 2o2p h PHE 533 N -0.68 0.08 -0.93 -3.82 0.04 -1.29 -2.00 116.94 108.35 2o2p h PHE 533 Ca -0.06 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.82 2o2p h PHE 533 Cb 0.51 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.55 2o2p h PHE 533 CO -0.03 0.50 0.54 0.00 -0.60 0.00 0.00 178.31 178.72 2o2p h ALA 534 N 1.49 1.42 0.00 2.45 0.00 -0.97 -0.32 119.26 123.33 2o2p h ALA 534 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2o2p h ALA 534 Cb 0.81 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2o2p h ALA 534 CO 0.06 0.06 -0.09 0.78 0.00 0.00 0.00 179.25 180.05 2o2p h GLY 535 N 0.80 0.00 2.00 0.00 0.00 -1.13 -2.96 103.07 101.78 2o2p h GLY 535 Ca 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.75 2o2p h GLY 535 CO -0.32 0.00 -0.31 1.49 0.00 0.00 0.00 176.54 177.41 2o2p h TRP 536 N 0.00 0.00 -0.43 5.60 4.06 -1.00 -3.39 115.95 120.79 2o2p h TRP 536 Ca -0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 2o2p h TRP 536 Cb 0.36 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.45 2o2p h TRP 536 CO 0.00 0.31 -0.05 0.00 -3.56 0.00 0.00 178.44 175.13 2o2p n ASP 538 N -5.26 3.50 0.00 0.00 5.75 -1.26 -3.71 116.55 115.57 2o2p n ASP 538 Ca 0.03 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 2o2p n ASP 538 Cb 0.23 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2o2p n ASP 538 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2o2p n LYS 539 N 0.54 1.50 -2.74 0.11 5.02 0.22 -4.97 118.16 117.85 2o2p n LYS 539 Ca 0.17 -1.05 -0.43 0.00 -2.02 0.00 0.00 58.31 54.98 2o2p n LYS 539 Cb 0.70 -0.90 -0.03 0.00 -0.02 0.00 0.00 35.03 34.78 2o2p n LYS 539 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o2p s ILE 540 N -0.58 4.61 0.01 -0.18 1.01 -0.95 -5.02 121.20 120.11 2o2p s ILE 540 Ca 0.00 1.55 0.05 0.00 0.00 0.00 0.00 60.65 62.25 2o2p s ILE 540 Cb 0.00 -4.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2o2p s ILE 540 CO 0.00 -0.40 -0.15 -1.10 0.00 0.00 0.00 174.94 173.29 2o2p s GLN 541 N 3.41 1.11 0.00 2.79 -0.21 -1.26 -4.96 119.66 120.54 2o2p s GLN 541 Ca 0.41 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.13 2o2p s GLN 541 Cb -0.13 -1.11 0.00 0.00 1.00 0.00 0.00 33.01 32.77 2o2p s GLN 541 CO 0.14 0.29 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2o2p n GLY 542 N 2.30 0.93 3.26 3.09 0.00 -1.26 -4.87 105.19 108.64 2o2p n GLY 542 Ca -0.16 -1.85 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 2o2p n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 543 N -2.93 1.52 -0.07 4.61 0.00 -1.21 -4.93 121.76 118.75 2o2p s ALA 543 Ca 0.00 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.53 2o2p s ALA 543 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2o2p s ALA 543 CO 0.00 -0.05 -0.20 0.95 0.00 0.00 0.00 175.76 176.46 2o2p s THR 544 N -3.09 2.47 -0.08 0.00 -4.23 -1.26 -0.62 115.64 108.83 2o2p s THR 544 Ca 0.16 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.79 2o2p s THR 544 Cb 0.01 -1.95 0.01 0.00 1.34 0.00 0.00 72.50 71.91 2o2p s THR 544 CO 0.02 0.57 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.87 2o2p s ILE 545 N -0.18 1.44 -1.41 2.99 1.01 -0.15 -5.01 121.20 119.90 2o2p s ILE 545 Ca -0.02 -0.65 -0.14 0.00 0.00 0.00 0.00 60.65 59.85 2o2p s ILE 545 Cb -0.14 -1.29 0.07 0.00 0.01 0.00 0.00 42.46 41.11 2o2p s ILE 545 CO 0.03 0.42 2.11 -0.81 0.00 0.00 0.00 174.94 176.70 2o2p n PRO 546 N 3.81 3.02 -1.40 2.79 -0.04 -1.26 -4.21 135.00 137.72 2o2p n PRO 546 Ca -0.21 -2.84 -0.30 0.00 -0.04 0.00 0.00 63.50 60.10 2o2p n PRO 546 Cb 0.52 -3.24 0.09 0.00 -0.04 0.00 0.00 33.50 30.83 2o2p n PRO 546 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2o2p s ILE 547 N 2.78 3.29 0.37 0.52 -0.00 -1.26 -4.99 121.20 121.90 2o2p s ILE 547 Ca 0.46 0.42 -0.28 0.00 -0.00 0.00 0.00 60.65 61.25 2o2p s ILE 547 Cb 0.12 -3.03 -0.11 0.00 -0.00 0.00 0.00 42.46 39.44 2o2p s ILE 547 CO -0.06 -0.55 1.45 0.20 -0.00 0.00 0.00 174.94 175.98 2o2p s ASN 548 N -3.63 6.43 -0.08 4.36 -0.87 -1.26 -4.98 114.94 114.91 2o2p s ASN 548 Ca 0.61 2.97 -0.14 0.00 -1.57 0.00 0.00 52.86 54.73 2o2p s ASN 548 Cb -0.16 -2.66 -0.05 0.00 -0.02 0.00 0.00 41.25 38.36 2o2p s ASN 548 CO 0.56 -0.81 0.33 -1.10 -2.57 0.00 0.00 177.10 173.51 2o2p s GLN 549 N -2.04 3.99 -1.53 -0.60 -1.52 -1.26 -4.87 119.66 111.83 2o2p s GLN 549 Ca 0.52 0.23 -0.12 0.00 -1.95 0.00 0.00 55.36 54.03 2o2p s GLN 549 Cb -0.45 -3.30 -0.01 0.00 -0.22 0.00 0.00 33.01 29.02 2o2p s GLN 549 CO 0.61 0.51 2.54 0.00 -0.25 0.00 0.00 175.29 178.69 2o2p n ALA 550 N 2.60 6.40 -1.66 6.09 0.00 -1.25 -4.96 120.51 127.72 2o2p n ALA 550 Ca -0.14 -3.73 -0.40 0.00 0.00 0.00 0.00 53.44 49.17 2o2p n ALA 550 Cb 0.53 -3.47 0.02 0.00 0.00 0.00 0.00 19.45 16.52 2o2p n ALA 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o2p n ARG 551 N 5.04 1.53 0.00 0.00 5.12 -1.26 -0.91 116.66 126.18 2o2p n ARG 551 Ca 0.63 0.55 0.04 0.00 -1.93 0.00 0.00 57.85 57.14 2o2p n ARG 551 Cb 0.32 -2.24 0.22 0.00 -1.16 0.00 0.00 32.46 29.60 2o2p n ARG 551 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2o2p n PRO 552 N -0.18 0.89 -2.46 5.56 -0.04 -1.26 -5.06 135.00 132.44 2o2p n PRO 552 Ca 0.09 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.31 2o2p n PRO 552 Cb 0.41 -1.13 0.09 0.00 -0.04 0.00 0.00 33.50 32.83 2o2p n PRO 552 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2o2p s ASN 553 N -1.35 4.51 0.28 3.54 0.01 -0.09 -5.12 114.94 116.72 2o2p s ASN 553 Ca 0.11 -0.08 0.11 0.00 -0.71 0.00 0.00 52.86 52.30 2o2p s ASN 553 Cb 0.05 -0.43 -0.05 0.00 0.41 0.00 0.00 41.25 41.24 2o2p s ASN 553 CO 0.09 -1.74 -0.14 -0.13 -1.51 0.00 0.00 177.10 173.66 2o2p s ARG 554 N -5.15 1.85 0.03 -0.60 0.52 -0.04 -3.94 118.95 111.62 2o2p s ARG 554 Ca 0.64 -1.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.20 2o2p s ARG 554 Cb -0.07 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 2o2p s ARG 554 CO 0.44 0.34 -0.08 -0.80 0.02 0.00 0.00 175.30 175.22 2o2p s ASN 555 N -3.56 0.87 -0.07 0.23 -0.87 -1.26 -0.98 114.94 109.30 2o2p s ASN 555 Ca 0.30 -0.38 0.03 0.00 -1.57 0.00 0.00 52.86 51.25 2o2p s ASN 555 Cb -0.05 -0.02 0.01 0.00 -0.02 0.00 0.00 41.25 41.16 2o2p s ASN 555 CO 0.16 -0.08 -0.16 -0.22 -2.57 0.00 0.00 177.10 174.23 2o2p s LEU 556 N -1.01 1.81 -0.08 0.60 2.96 -0.84 -4.93 118.68 117.19 2o2p s LEU 556 Ca -0.04 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2o2p s LEU 556 Cb -0.07 -1.01 0.01 0.00 0.50 0.00 0.00 46.19 45.62 2o2p s LEU 556 CO 0.00 0.09 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.10 2o2p s THR 557 N 0.48 1.22 0.15 3.68 2.01 -1.26 -0.19 115.64 121.73 2o2p s THR 557 Ca -0.14 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.37 2o2p s THR 557 Cb -0.16 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2o2p s THR 557 CO 0.05 0.38 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.87 2o2p s LEU 558 N 0.83 2.16 0.10 4.42 0.05 -0.09 -0.97 118.68 125.19 2o2p s LEU 558 Ca -0.11 -1.14 0.10 0.00 0.05 0.00 0.00 54.13 53.03 2o2p s LEU 558 Cb -0.15 -0.02 -0.04 0.00 -2.05 0.00 0.00 46.19 43.93 2o2p s LEU 558 CO 0.02 -0.56 -0.27 0.42 -0.55 0.00 0.00 176.35 175.41 2o2p s THR 559 N -3.69 2.25 -0.14 5.48 -4.23 0.21 -0.23 115.64 115.29 2o2p s THR 559 Ca 0.21 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2o2p s THR 559 Cb 0.06 -1.96 0.01 0.00 1.34 0.00 0.00 72.50 71.95 2o2p s THR 559 CO 0.02 0.17 -0.19 -0.75 -0.54 0.00 0.00 174.62 173.33 2o2p s LYS 560 N -1.82 2.78 -0.08 3.99 2.20 0.03 -3.32 119.74 123.51 2o2p s LYS 560 Ca 0.13 -0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 2o2p s LYS 560 Cb -0.10 -2.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.87 2o2p s LYS 560 CO 0.05 -0.10 0.88 0.15 -0.36 0.00 0.00 175.35 175.98 2o2p s LYS 561 N 1.04 4.43 0.13 4.03 -0.14 -1.26 -1.36 119.74 126.62 2o2p s LYS 561 Ca -0.03 1.19 0.06 0.00 -1.36 0.00 0.00 55.97 55.83 2o2p s LYS 561 Cb -0.14 -3.51 -0.04 0.00 -1.68 0.00 0.00 37.83 32.46 2o2p s LYS 561 CO -0.06 -0.16 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.02 2o2p s GLU 562 N 1.50 1.07 0.75 1.68 2.02 -0.16 -4.97 118.70 120.60 2o2p s GLU 562 Ca 0.44 -1.28 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 2o2p s GLU 562 Cb -0.18 -0.95 0.05 0.00 0.10 0.00 0.00 34.13 33.15 2o2p s GLU 562 CO 0.19 0.18 1.15 -2.14 0.02 0.00 0.00 175.26 174.67 2o2p s PRO 563 N -2.78 2.10 0.11 0.39 0.02 -1.25 -0.33 135.00 133.26 2o2p s PRO 563 Ca 0.11 1.54 0.03 0.00 0.02 0.00 0.00 61.00 62.70 2o2p s PRO 563 Cb -0.04 -1.85 -0.21 0.00 0.02 0.00 0.00 34.50 32.42 2o2p s PRO 563 CO 0.03 -1.82 1.25 -0.39 -0.33 0.00 0.00 177.00 175.75 2o2p h VAL 564 N -0.64 1.63 0.00 3.83 -1.51 -1.85 -3.41 116.25 114.30 2o2p h VAL 564 Ca -0.46 -3.22 0.00 0.00 -1.23 0.00 0.00 66.70 61.79 2o2p h VAL 564 Cb 1.27 2.84 0.00 0.00 -2.13 0.00 0.00 31.29 33.27 2o2p h VAL 564 CO 0.49 0.93 0.00 0.61 -1.23 0.00 0.00 177.57 178.37 2o2p n GLY 565 N 1.35 0.04 3.69 5.19 0.00 -1.26 -4.85 105.19 109.35 2o2p n GLY 565 Ca -0.03 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2o2p n GLY 565 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o2p s VAL 566 N -0.18 4.28 0.06 1.61 1.01 -1.26 -2.96 120.40 122.96 2o2p s VAL 566 Ca 0.00 1.61 0.07 0.00 0.00 0.00 0.00 61.98 63.66 2o2p s VAL 566 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2o2p s VAL 566 CO 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 175.10 174.95 2o2p s GLY 568 N -1.63 1.59 -0.04 0.00 0.00 -0.11 -1.09 107.32 106.04 2o2p s GLY 568 Ca 0.16 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2o2p s GLY 568 CO 0.07 -0.44 -0.13 -0.26 0.00 0.00 0.00 173.10 172.34 2o2p s ILE 569 N -0.21 1.11 -0.18 0.90 -4.36 -0.29 -1.15 121.20 117.02 2o2p s ILE 569 Ca 0.01 -0.52 -0.02 0.00 -0.26 0.00 0.00 60.65 59.87 2o2p s ILE 569 Cb -0.13 -0.98 -0.01 0.00 1.25 0.00 0.00 42.46 42.59 2o2p s ILE 569 CO 0.03 0.34 -0.10 -0.69 0.24 0.00 0.00 174.94 174.76 2o2p s VAL 570 N 0.28 3.07 -0.11 8.37 1.01 -0.12 -0.60 120.40 132.30 2o2p s VAL 570 Ca -0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 2o2p s VAL 570 Cb -0.12 -2.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 2o2p s VAL 570 CO 0.02 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.89 2o2p s ILE 571 N 1.07 3.57 0.94 2.22 -1.09 -0.49 -2.50 121.20 124.92 2o2p s ILE 571 Ca 0.00 -0.50 -0.15 0.00 -2.23 0.00 0.00 60.65 57.77 2o2p s ILE 571 Cb -0.15 -2.50 0.18 0.00 -1.58 0.00 0.00 42.46 38.41 2o2p s ILE 571 CO -0.02 0.54 1.29 -2.16 -1.23 0.00 0.00 174.94 173.37 2o2p s PRO 572 N -0.12 0.81 0.00 2.79 0.04 -1.25 -2.09 135.00 135.18 2o2p s PRO 572 Ca 0.01 -0.30 0.24 0.00 0.04 0.00 0.00 61.00 60.99 2o2p s PRO 572 Cb -0.13 -1.86 0.30 0.00 0.04 0.00 0.00 34.50 32.85 2o2p s PRO 572 CO 0.03 -2.32 1.28 -2.67 0.04 0.00 0.00 177.00 173.36 2o2p n TRP 573 N -3.72 0.00 -0.05 0.56 4.27 -1.26 -4.27 117.44 112.96 2o2p n TRP 573 Ca 0.14 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.61 2o2p n TRP 573 Cb 0.60 -0.05 -0.07 0.00 -1.36 0.00 0.00 31.31 30.42 2o2p n TRP 573 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 2o2p h ASN 574 N 1.78 0.41 -2.77 -0.67 -1.07 -1.95 -3.36 115.58 107.95 2o2p h ASN 574 Ca 0.00 -0.51 -0.60 0.00 0.07 0.00 0.00 56.30 55.25 2o2p h ASN 574 Cb 0.64 -0.12 -0.40 0.00 -2.07 0.00 0.00 38.32 36.38 2o2p h ASN 574 CO 0.00 0.84 -0.80 -0.31 0.07 0.00 0.00 177.43 177.23 2o2p s TYR 575 N -4.18 2.06 0.12 4.14 1.51 -1.26 -4.97 117.35 114.78 2o2p s TYR 575 Ca -0.14 -2.68 -0.28 0.00 -1.01 0.00 0.00 57.07 52.96 2o2p s TYR 575 Cb 0.05 -1.66 -0.07 0.00 -0.11 0.00 0.00 41.96 40.17 2o2p s TYR 575 CO 0.76 -0.72 1.61 -1.35 -1.11 0.00 0.00 175.55 174.74 2o2p h PRO 576 N 5.73 -0.50 -0.38 -1.71 0.11 -1.74 0.15 132.00 133.65 2o2p h PRO 576 Ca 0.19 0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.18 2o2p h PRO 576 Cb 0.86 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 2o2p h PRO 576 CO 0.50 -0.33 -0.35 1.25 -0.21 0.00 0.00 178.00 178.85 2o2p h LEU 577 N -0.52 0.92 -0.14 2.35 5.85 -1.92 -2.48 115.31 119.37 2o2p h LEU 577 Ca 0.05 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2o2p h LEU 577 Cb 0.58 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2o2p h LEU 577 CO -0.25 1.18 0.01 -0.03 -0.34 0.00 0.00 178.44 179.01 2o2p h MET 578 N 0.72 0.25 -0.49 1.25 4.05 -1.57 0.74 114.93 119.87 2o2p h MET 578 Ca 0.07 -0.07 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 2o2p h MET 578 Cb 0.93 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 2o2p h MET 578 CO 0.09 0.46 0.02 0.52 0.23 0.00 0.00 176.91 178.23 2o2p h MET 579 N -0.00 0.80 -0.35 0.39 2.86 -1.04 0.35 114.93 117.94 2o2p h MET 579 Ca 0.04 -0.21 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2o2p h MET 579 Cb 0.35 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 2o2p h MET 579 CO 0.01 0.80 0.16 1.25 1.06 0.00 0.00 176.91 180.19 2o2p h LEU 580 N 0.76 0.23 -0.26 1.22 6.46 -1.25 -2.95 115.31 119.51 2o2p h LEU 580 Ca 0.15 0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.91 2o2p h LEU 580 Cb 0.43 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.33 2o2p h LEU 580 CO 0.02 0.17 0.06 0.28 -0.62 0.00 0.00 178.44 178.35 2o2p h SER 581 N 0.34 0.40 -0.43 1.25 0.02 -0.09 0.11 113.55 115.15 2o2p h SER 581 Ca 0.15 -0.23 0.07 0.00 -0.84 0.00 0.00 61.79 60.94 2o2p h SER 581 Cb 0.07 -0.11 -0.09 0.00 0.14 0.00 0.00 62.40 62.42 2o2p h SER 581 CO -0.12 0.53 -0.45 -0.50 -1.14 0.00 0.00 176.83 175.16 2o2p h TRP 582 N 0.26 -1.31 -0.12 3.45 4.06 -0.90 -0.74 115.95 120.64 2o2p h TRP 582 Ca 0.08 0.07 -0.13 0.00 2.06 0.00 0.00 58.89 60.98 2o2p h TRP 582 Cb 0.28 0.63 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 2o2p h TRP 582 CO 0.01 -0.45 -0.43 0.87 -3.56 0.00 0.00 178.44 174.88 2o2p h LYS 583 N -0.32 0.50 -0.57 0.49 1.57 -1.38 -3.22 116.57 113.64 2o2p h LYS 583 Ca 0.14 -0.38 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 2o2p h LYS 583 Cb 0.58 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2o2p h LYS 583 CO -0.60 1.01 0.10 1.15 -0.57 0.00 0.00 179.45 180.54 2o2p h THR 584 N 0.10 1.25 -0.35 -0.16 2.02 -0.89 -1.30 112.91 113.59 2o2p h THR 584 Ca -0.02 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 2o2p h THR 584 Cb 1.07 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 2o2p h THR 584 CO 0.09 0.35 0.16 0.00 0.37 0.00 0.00 175.52 176.50 2o2p h ALA 585 N 1.01 0.46 -0.46 6.16 0.00 -1.21 0.35 119.26 125.56 2o2p h ALA 585 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 585 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2o2p h ALA 585 CO 0.01 0.03 0.03 0.00 0.00 0.00 0.00 179.25 179.32 2o2p h ALA 586 N 1.01 0.62 0.16 0.00 0.00 -1.55 -0.10 119.26 119.40 2o2p h ALA 586 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2o2p h ALA 586 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2o2p h ALA 586 CO -0.01 0.39 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 2o2p h LEU 588 N -0.33 1.02 -1.69 0.00 3.38 -0.91 -2.68 115.31 114.10 2o2p h LEU 588 Ca 0.00 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.66 2o2p h LEU 588 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2o2p h LEU 588 CO -0.03 1.15 0.30 0.00 0.09 0.00 0.00 178.44 179.95 2o2p h ALA 589 N 0.91 1.92 0.00 1.53 0.00 -0.84 0.46 119.26 123.24 2o2p h ALA 589 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2o2p h ALA 589 Cb 0.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2o2p h ALA 589 CO 0.05 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2o2p n ALA 590 N -2.51 2.54 -0.19 0.00 0.00 -0.87 -4.58 120.51 114.90 2o2p n ALA 590 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2o2p n ALA 590 Cb 0.22 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2o2p n ALA 590 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 591 N 1.14 0.88 3.92 0.00 0.00 0.15 -3.95 105.19 107.32 2o2p n GLY 591 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2o2p n GLY 591 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2o2p s ASN 592 N -2.09 4.30 0.34 1.61 0.01 -1.03 -4.86 114.94 113.21 2o2p s ASN 592 Ca 0.00 0.51 0.10 0.00 -0.71 0.00 0.00 52.86 52.76 2o2p s ASN 592 Cb 0.00 -0.95 -0.06 0.00 0.41 0.00 0.00 41.25 40.65 2o2p s ASN 592 CO 0.00 -1.99 -0.08 0.42 -1.51 0.00 0.00 177.10 173.94 2o2p s THR 593 N -3.52 2.37 -0.02 1.60 -4.23 -1.16 -4.55 115.64 106.13 2o2p s THR 593 Ca 0.64 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 2o2p s THR 593 Cb -0.09 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.11 2o2p s THR 593 CO 0.48 -0.23 0.14 0.54 -0.54 0.00 0.00 174.62 175.02 2o2p s VAL 594 N -2.57 0.05 -0.18 2.29 0.11 0.05 -1.09 120.40 119.05 2o2p s VAL 594 Ca 0.33 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2o2p s VAL 594 Cb 0.01 -0.35 -0.00 0.00 -1.53 0.00 0.00 36.38 34.51 2o2p s VAL 594 CO 0.17 -0.23 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.90 2o2p s VAL 595 N -0.80 2.89 -0.15 2.04 1.01 -0.25 -1.70 120.40 123.44 2o2p s VAL 595 Ca -0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2o2p s VAL 595 Cb -0.05 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 2o2p s VAL 595 CO 0.01 0.49 -0.02 -0.63 0.00 0.00 0.00 175.10 174.95 2o2p s ILE 596 N 1.09 4.08 -0.42 2.22 1.01 0.63 -1.14 121.20 128.68 2o2p s ILE 596 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 2o2p s ILE 596 Cb -0.14 -2.79 0.11 0.00 0.01 0.00 0.00 42.46 39.65 2o2p s ILE 596 CO -0.03 0.50 0.23 -0.75 0.00 0.00 0.00 174.94 174.89 2o2p s LYS 597 N 0.22 2.09 0.67 2.79 2.47 0.24 -0.83 119.74 127.38 2o2p s LYS 597 Ca -0.01 -1.82 -0.12 0.00 -1.56 0.00 0.00 55.97 52.46 2o2p s LYS 597 Cb -0.14 -3.65 -0.00 0.00 -1.46 0.00 0.00 37.83 32.58 2o2p s LYS 597 CO 0.02 -1.10 1.06 -1.25 0.16 0.00 0.00 175.35 174.24 2o2p s PRO 598 N 1.17 3.05 0.40 4.03 0.04 -1.26 -1.39 135.00 141.04 2o2p s PRO 598 Ca 0.08 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 2o2p s PRO 598 Cb -0.23 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 2o2p s PRO 598 CO -0.04 -1.01 1.13 0.00 0.04 0.00 0.00 177.00 177.12 2o2p n ALA 599 N -2.84 0.66 -0.29 8.56 0.00 -0.89 -4.60 120.51 121.11 2o2p n ALA 599 Ca 0.08 0.27 0.05 0.00 0.00 0.00 0.00 53.44 53.84 2o2p n ALA 599 Cb 0.53 -2.16 0.20 0.00 0.00 0.00 0.00 19.45 18.02 2o2p n ALA 599 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2o2p h GLN 600 N 1.87 0.68 0.00 0.00 4.15 -1.91 -1.51 115.11 118.39 2o2p h GLN 600 Ca -0.45 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2o2p h GLN 600 Cb 1.32 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.85 2o2p h GLN 600 CO 0.59 0.45 0.00 1.33 -1.93 0.00 0.00 178.83 179.27 2o2p n VAL 601 N -4.81 0.71 -3.20 2.39 0.24 -1.26 -4.15 118.33 108.25 2o2p n VAL 601 Ca 0.16 0.11 -0.23 0.00 -2.04 0.00 0.00 64.34 62.34 2o2p n VAL 601 Cb 0.37 -0.91 -0.06 0.00 -1.47 0.00 0.00 33.84 31.76 2o2p n VAL 601 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2o2p n THR 602 N -1.89 -0.36 0.17 3.34 -2.24 -0.57 -4.74 114.28 107.99 2o2p n THR 602 Ca 0.04 -4.23 0.10 0.00 -2.27 0.00 0.00 64.05 57.69 2o2p n THR 602 Cb 0.26 -1.57 0.09 0.00 -2.10 0.00 0.00 70.33 67.01 2o2p n THR 602 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2o2p h PRO 603 N 3.76 0.00 -0.23 -0.78 0.13 -1.72 -3.40 132.00 129.77 2o2p h PRO 603 Ca 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.05 2o2p h PRO 603 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2o2p h PRO 603 CO 0.49 0.09 -0.51 -0.07 -0.23 0.00 0.00 178.00 177.77 2o2p h LEU 604 N 0.00 0.85 -1.03 1.56 3.38 -1.92 -2.34 115.31 115.80 2o2p h LEU 604 Ca -0.01 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 2o2p h LEU 604 Cb 1.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2o2p h LEU 604 CO 0.01 1.25 -0.43 0.71 0.09 0.00 0.00 178.44 180.08 2o2p h THR 605 N 0.49 1.31 -0.54 0.22 1.35 -1.88 -1.38 112.91 112.48 2o2p h THR 605 Ca 0.00 -1.52 -0.00 0.00 -0.55 0.00 0.00 66.41 64.34 2o2p h THR 605 Cb 1.12 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 69.27 2o2p h THR 605 CO 0.11 0.44 0.33 0.00 -0.25 0.00 0.00 175.52 176.16 2o2p h ALA 606 N 1.47 0.69 -0.21 6.62 0.00 -1.79 0.98 119.26 127.02 2o2p h ALA 606 Ca 0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 2o2p h ALA 606 Cb 0.80 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2o2p h ALA 606 CO 0.06 0.16 -0.47 -0.07 0.00 0.00 0.00 179.25 178.93 2o2p h LEU 607 N 0.73 0.59 -0.54 0.00 3.38 -1.15 -0.30 115.31 118.02 2o2p h LEU 607 Ca 0.19 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2o2p h LEU 607 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2o2p h LEU 607 CO -0.04 0.97 0.06 0.50 0.09 0.00 0.00 178.44 180.03 2o2p h LYS 608 N 0.44 0.90 -0.68 1.13 1.63 -1.08 -2.49 116.57 116.42 2o2p h LYS 608 Ca 0.02 -0.26 0.10 0.00 -0.85 0.00 0.00 60.65 59.67 2o2p h LYS 608 Cb 0.99 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 32.45 2o2p h LYS 608 CO 0.09 0.89 0.30 0.35 -3.45 0.00 0.00 179.45 177.63 2o2p h PHE 609 N 0.79 0.53 -0.56 1.91 3.57 -0.52 -1.24 116.94 121.42 2o2p h PHE 609 Ca 0.16 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.77 2o2p h PHE 609 Cb 0.44 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 2o2p h PHE 609 CO 0.03 0.16 0.20 0.00 -2.23 0.00 0.00 178.31 176.47 2o2p h ALA 610 N 1.44 0.70 -0.85 2.41 0.00 -0.73 -0.49 119.26 121.75 2o2p h ALA 610 Ca 0.34 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2o2p h ALA 610 Cb 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2o2p h ALA 610 CO -0.30 -0.20 0.45 1.49 0.00 0.00 0.00 179.25 180.69 2o2p h GLU 611 N 0.38 1.18 0.00 0.00 4.81 -0.87 -1.86 114.58 118.23 2o2p h GLU 611 Ca 0.28 -0.14 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2o2p h GLU 611 Cb 0.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2o2p h GLU 611 CO -0.28 0.87 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.63 2o2p h LEU 612 N 1.19 0.00 -1.30 1.64 3.38 -0.03 -1.62 115.31 118.57 2o2p h LEU 612 Ca 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2o2p h LEU 612 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2o2p h LEU 612 CO -0.05 0.18 -0.09 0.71 0.09 0.00 0.00 178.44 179.28 2o2p h THR 613 N 0.00 1.19 -0.26 0.22 1.35 -0.34 -0.71 112.91 114.37 2o2p h THR 613 Ca -0.00 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.01 2o2p h THR 613 Cb 0.32 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 2o2p h THR 613 CO 0.02 0.27 0.05 -0.07 -0.25 0.00 0.00 175.52 175.54 2o2p h LEU 614 N 0.35 0.40 -1.57 3.87 3.38 -1.19 -1.48 115.31 119.06 2o2p h LEU 614 Ca 0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2o2p h LEU 614 Cb 0.38 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2o2p h LEU 614 CO 0.02 0.54 0.09 0.11 0.09 0.00 0.00 178.44 179.29 2o2p h LYS 615 N 0.24 0.37 -0.00 1.13 1.57 -1.03 -2.12 116.57 116.72 2o2p h LYS 615 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2o2p h LYS 615 Cb 0.30 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2o2p h LYS 615 CO 0.00 0.32 -0.13 0.00 -0.57 0.00 0.00 179.45 179.08 2o2p n ALA 616 N -2.49 2.64 -2.00 3.86 0.00 -0.31 -4.95 120.51 117.27 2o2p n ALA 616 Ca 0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2o2p n ALA 616 Cb 0.14 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 2o2p n ALA 616 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2o2p n GLY 617 N 1.49 0.22 3.70 0.00 0.00 -0.80 -4.74 105.19 105.06 2o2p n GLY 617 Ca 0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2o2p n GLY 617 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o2p s ILE 618 N -2.25 3.26 0.42 -0.61 -1.09 -0.59 -4.95 121.20 115.39 2o2p s ILE 618 Ca 0.00 0.77 -0.24 0.00 -2.23 0.00 0.00 60.65 58.95 2o2p s ILE 618 Cb 0.00 -3.50 -0.11 0.00 -1.58 0.00 0.00 42.46 37.28 2o2p s ILE 618 CO 0.00 0.02 0.98 -2.65 -1.23 0.00 0.00 174.94 172.06 2o2p n PRO 619 N 4.96 1.29 -1.61 2.79 -0.02 -1.26 -4.74 135.00 136.40 2o2p n PRO 619 Ca 0.14 0.46 -0.47 0.00 -2.02 0.00 0.00 63.50 61.61 2o2p n PRO 619 Cb 0.42 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 2o2p n PRO 619 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2o2p n LYS 620 N 0.15 1.49 0.00 -0.52 4.01 -1.26 -2.21 118.16 119.82 2o2p n LYS 620 Ca 0.10 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.43 2o2p n LYS 620 Cb 0.39 -2.06 0.00 0.00 -0.51 0.00 0.00 35.03 32.85 2o2p n LYS 620 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2o2p n GLY 621 N 1.93 1.94 0.26 0.72 0.00 -1.26 -4.69 105.19 104.08 2o2p n GLY 621 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 2o2p n GLY 621 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2o2p h VAL 622 N 0.00 1.27 -3.28 1.61 2.07 -1.73 -3.26 116.25 112.93 2o2p h VAL 622 Ca 0.00 -1.39 -0.65 0.00 0.82 0.00 0.00 66.70 65.48 2o2p h VAL 622 Cb 0.00 1.27 -0.34 0.00 -1.52 0.00 0.00 31.29 30.70 2o2p h VAL 622 CO 0.00 0.46 -0.86 -0.69 0.02 0.00 0.00 177.57 176.50 2o2p s VAL 623 N -4.54 1.89 0.00 2.57 1.01 -1.26 -0.77 120.40 119.30 2o2p s VAL 623 Ca -0.09 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2o2p s VAL 623 Cb 0.13 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2o2p s VAL 623 CO 0.84 0.52 -0.11 0.20 0.00 0.00 0.00 175.10 176.55 2o2p s ASN 624 N 0.66 1.25 -0.06 3.32 0.01 -0.69 -4.59 114.94 114.84 2o2p s ASN 624 Ca -0.12 -0.24 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 2o2p s ASN 624 Cb -0.16 -0.12 0.02 0.00 0.41 0.00 0.00 41.25 41.39 2o2p s ASN 624 CO 0.02 0.10 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.00 2o2p s ILE 625 N -0.37 0.83 -0.58 0.60 1.01 0.41 -0.27 121.20 122.83 2o2p s ILE 625 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2o2p s ILE 625 Cb -0.05 -0.80 0.15 0.00 0.01 0.00 0.00 42.46 41.77 2o2p s ILE 625 CO -0.00 0.29 0.38 -0.76 0.00 0.00 0.00 174.94 174.85 2o2p s LEU 626 N 0.89 3.91 0.68 2.97 1.43 -0.01 -1.21 118.68 127.35 2o2p s LEU 626 Ca -0.11 -3.36 -0.16 0.00 -1.03 0.00 0.00 54.13 49.48 2o2p s LEU 626 Cb -0.15 -1.38 0.01 0.00 0.03 0.00 0.00 46.19 44.70 2o2p s LEU 626 CO 0.01 -0.16 1.18 -2.16 0.23 0.00 0.00 176.35 175.45 2o2p s PRO 627 N -0.69 2.51 0.00 1.29 0.04 -1.26 -4.41 135.00 132.48 2o2p s PRO 627 Ca 0.23 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2o2p s PRO 627 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2o2p s PRO 627 CO -0.10 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2o2p n GLY 628 N 0.14 0.41 3.70 0.56 0.00 -1.26 -1.53 105.19 107.21 2o2p n GLY 628 Ca 0.12 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.35 2o2p n GLY 628 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2o2p s SER 629 N -4.00 7.07 0.17 1.61 0.15 -1.26 -3.83 113.70 113.61 2o2p s SER 629 Ca 0.00 1.93 -0.13 0.00 0.70 0.00 0.00 55.95 58.45 2o2p s SER 629 Cb 0.00 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.81 2o2p s SER 629 CO 0.00 -0.52 1.76 1.23 1.20 0.00 0.00 173.24 176.91 2o2p h GLY 630 N 7.41 0.88 0.97 9.45 0.00 -1.97 -1.02 103.07 118.79 2o2p h GLY 630 Ca -0.39 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 2o2p h GLY 630 CO 0.84 0.41 0.23 1.48 0.00 0.00 0.00 176.54 179.50 2o2p h SER 631 N 0.78 0.52 0.72 0.19 4.64 -1.98 -0.52 113.55 117.90 2o2p h SER 631 Ca 0.20 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.40 2o2p h SER 631 Cb 0.10 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2o2p h SER 631 CO -0.03 0.45 -0.35 0.25 -0.87 0.00 0.00 176.83 176.29 2o2p h LEU 632 N 0.54 -0.82 -0.11 5.97 6.46 -1.89 -2.28 115.31 123.17 2o2p h LEU 632 Ca 0.15 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 2o2p h LEU 632 Cb 0.05 0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2o2p h LEU 632 CO -0.02 -0.49 -0.17 0.58 -0.62 0.00 0.00 178.44 177.71 2o2p h VAL 633 N -1.14 1.38 -0.93 1.05 2.07 -1.23 -2.13 116.25 115.32 2o2p h VAL 633 Ca -0.10 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2o2p h VAL 633 Cb 0.77 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 32.53 2o2p h VAL 633 CO 0.16 0.41 0.57 1.23 0.02 0.00 0.00 177.57 179.96 2o2p h GLY 634 N -0.10 1.35 0.85 2.17 0.00 -1.21 -0.43 103.07 105.69 2o2p h GLY 634 Ca 0.01 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2o2p h GLY 634 CO 0.04 0.54 0.05 -1.61 0.00 0.00 0.00 176.54 175.56 2o2p h GLN 635 N 1.28 0.33 -0.44 4.80 5.75 -1.38 -1.48 115.11 123.97 2o2p h GLN 635 Ca 0.33 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.65 2o2p h GLN 635 Cb -0.07 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 2o2p h GLN 635 CO -0.06 0.45 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.36 2o2p h ARG 636 N 0.14 0.85 -0.75 1.69 9.65 -1.11 -1.09 114.38 123.76 2o2p h ARG 636 Ca 0.06 -0.33 0.05 0.00 -1.10 0.00 0.00 59.98 58.66 2o2p h ARG 636 Cb 0.27 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 2o2p h ARG 636 CO 0.00 0.97 0.46 -0.07 2.80 0.00 0.00 179.97 184.12 2o2p h LEU 637 N 0.68 0.72 -1.14 3.80 3.38 -1.08 -0.94 115.31 120.73 2o2p h LEU 637 Ca 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2o2p h LEU 637 Cb 0.66 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2o2p h LEU 637 CO 0.05 0.48 -0.33 0.77 0.09 0.00 0.00 178.44 179.49 2o2p h SER 638 N 0.86 0.00 1.24 -0.43 4.64 -0.96 -2.91 113.55 115.99 2o2p h SER 638 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2o2p h SER 638 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2o2p h SER 638 CO -0.15 0.33 -0.57 0.44 -0.87 0.00 0.00 176.83 176.02 2o2p h ASP 639 N 0.00 0.00 -3.17 4.97 3.32 -0.75 -3.30 116.42 117.49 2o2p h ASP 639 Ca -0.00 -0.06 -0.53 0.00 0.02 0.00 0.00 57.03 56.46 2o2p h ASP 639 Cb 0.77 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.34 2o2p h ASP 639 CO 0.04 0.03 0.67 -2.28 -1.72 0.00 0.00 179.24 175.98 2o2p s HIS 640 N -3.25 3.29 -0.20 4.55 2.46 -0.40 -4.83 115.29 116.92 2o2p s HIS 640 Ca 0.04 1.11 0.28 0.00 0.47 0.00 0.00 55.06 56.96 2o2p s HIS 640 Cb 0.10 -3.60 1.22 0.00 -0.13 0.00 0.00 32.58 30.17 2o2p s HIS 640 CO 0.72 -2.00 1.83 -1.00 -2.47 0.00 0.00 174.74 171.83 2o2p h PRO 641 N 6.31 0.00 -0.01 2.88 0.13 -1.91 -2.94 132.00 136.47 2o2p h PRO 641 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2o2p h PRO 641 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2o2p h PRO 641 CO 0.82 0.00 -0.79 -0.25 -0.23 0.00 0.00 178.00 177.55 2o2p n ASP 642 N -2.55 1.30 -4.75 1.44 10.43 -1.26 -4.89 116.55 116.27 2o2p n ASP 642 Ca 0.01 -1.15 -0.40 0.00 2.57 0.00 0.00 54.79 55.82 2o2p n ASP 642 Cb 0.22 0.83 -0.05 0.00 1.84 0.00 0.00 41.12 43.95 2o2p n ASP 642 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2o2p s VAL 643 N -2.75 4.71 -0.38 2.53 1.01 -1.11 -4.46 120.40 119.95 2o2p s VAL 643 Ca 0.11 1.63 0.10 0.00 0.00 0.00 0.00 61.98 63.82 2o2p s VAL 643 Cb 0.16 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.30 2o2p s VAL 643 CO 0.74 0.38 0.39 0.54 0.00 0.00 0.00 175.10 177.15 2o2p n ARG 644 N 2.72 2.95 -3.67 2.72 5.12 0.33 -4.80 116.66 122.03 2o2p n ARG 644 Ca -0.03 -0.02 -0.14 0.00 -1.93 0.00 0.00 57.85 55.74 2o2p n ARG 644 Cb 0.50 -1.04 -0.08 0.00 -1.16 0.00 0.00 32.46 30.68 2o2p n ARG 644 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2o2p s LYS 645 N -2.12 0.70 -0.07 5.56 2.36 -1.22 -1.60 119.74 123.35 2o2p s LYS 645 Ca 0.02 0.85 0.05 0.00 -2.55 0.00 0.00 55.97 54.34 2o2p s LYS 645 Cb 0.07 0.34 -0.01 0.00 -1.05 0.00 0.00 37.83 37.18 2o2p s LYS 645 CO 0.42 -0.09 -0.23 0.42 1.55 0.00 0.00 175.35 177.42 2o2p s ILE 646 N 0.35 2.20 -0.22 5.43 -1.09 0.09 -0.93 121.20 127.03 2o2p s ILE 646 Ca -0.00 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.38 2o2p s ILE 646 Cb -0.04 -1.82 -0.01 0.00 -1.58 0.00 0.00 42.46 39.01 2o2p s ILE 646 CO 0.00 0.56 -0.05 -0.83 -1.23 0.00 0.00 174.94 173.40 2o2p s GLY 647 N -0.01 1.60 -0.08 6.18 0.00 -0.30 -1.50 107.32 113.21 2o2p s GLY 647 Ca -0.08 -1.16 0.03 0.00 0.00 0.00 0.00 44.72 43.52 2o2p s GLY 647 CO 0.05 0.40 -0.17 -0.12 0.00 0.00 0.00 173.10 173.26 2o2p s PHE 648 N 1.43 1.91 -0.10 1.90 5.36 -0.61 -0.95 117.98 126.93 2o2p s PHE 648 Ca 0.05 -0.75 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 2o2p s PHE 648 Cb -0.14 -1.34 0.01 0.00 -0.34 0.00 0.00 43.02 41.21 2o2p s PHE 648 CO -0.03 -0.34 -0.16 0.99 -1.46 0.00 0.00 175.22 174.22 2o2p s THR 649 N 0.54 1.52 -2.69 0.12 2.01 -1.04 -1.21 115.64 114.89 2o2p s THR 649 Ca -0.16 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.17 2o2p s THR 649 Cb -0.17 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2o2p s THR 649 CO 0.06 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2o2p n GLY 650 N 4.02 -0.63 3.83 4.40 0.00 -0.76 -3.79 105.19 112.26 2o2p n GLY 650 Ca -0.20 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.94 2o2p n GLY 650 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2o2p s SER 651 N -4.00 6.15 0.14 1.61 1.04 -1.26 -4.19 113.70 113.19 2o2p s SER 651 Ca 0.00 1.67 -0.18 0.00 0.48 0.00 0.00 55.95 57.93 2o2p s SER 651 Cb 0.00 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 2o2p s SER 651 CO 0.00 -0.91 1.80 0.74 0.98 0.00 0.00 173.24 175.84 2o2p h THR 652 N 0.53 1.07 -0.42 2.02 2.02 -1.94 -0.46 112.91 115.73 2o2p h THR 652 Ca -0.46 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 2o2p h THR 652 Cb 1.20 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2o2p h THR 652 CO 0.59 0.08 -0.05 -0.33 0.37 0.00 0.00 175.52 176.18 2o2p h GLU 653 N 0.42 0.77 -0.48 6.66 4.39 -1.97 -0.05 114.58 124.33 2o2p h GLU 653 Ca 0.12 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 2o2p h GLU 653 Cb -0.04 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2o2p h GLU 653 CO -0.03 0.87 0.20 0.28 -1.16 0.00 0.00 179.01 179.18 2o2p h VAL 654 N 0.60 1.20 -0.57 3.13 2.07 -1.95 -2.66 116.25 118.07 2o2p h VAL 654 Ca 0.11 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 67.05 2o2p h VAL 654 Cb 0.56 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2o2p h VAL 654 CO 0.03 0.23 0.35 1.23 0.02 0.00 0.00 177.57 179.43 2o2p h GLY 655 N 0.63 0.81 0.75 2.17 0.00 -0.76 0.33 103.07 107.00 2o2p h GLY 655 Ca 0.16 -0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.29 2o2p h GLY 655 CO -0.02 0.22 0.53 0.50 0.00 0.00 0.00 176.54 177.77 2o2p h LYS 656 N 0.69 0.94 0.00 4.80 1.57 -0.92 -1.02 116.57 122.63 2o2p h LYS 656 Ca 0.23 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2o2p h LYS 656 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2o2p h LYS 656 CO -0.10 0.62 -0.24 0.45 -0.57 0.00 0.00 179.45 179.62 2o2p h HIS 657 N 0.97 0.00 -0.04 -1.35 3.86 -1.05 -0.93 115.15 116.60 2o2p h HIS 657 Ca 0.36 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2o2p h HIS 657 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 2o2p h HIS 657 CO -0.03 0.20 0.01 0.82 0.86 0.00 0.00 177.93 179.79 2o2p h ILE 658 N 0.00 1.20 -0.75 2.45 1.08 -0.60 -1.70 117.51 119.20 2o2p h ILE 658 Ca -0.00 -0.59 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 2o2p h ILE 658 Cb 1.16 1.51 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 2o2p h ILE 658 CO 0.03 0.16 0.41 -0.03 -0.69 0.00 0.00 178.15 178.03 2o2p h MET 659 N -0.16 1.04 -0.70 2.37 4.05 -1.01 0.25 114.93 120.78 2o2p h MET 659 Ca 0.01 -0.12 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 2o2p h MET 659 Cb 0.25 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 2o2p h MET 659 CO 0.00 0.77 0.42 -0.22 0.23 0.00 0.00 176.91 178.11 2o2p h LYS 660 N 1.03 0.77 -0.34 0.39 3.64 -1.18 -1.66 116.57 119.22 2o2p h LYS 660 Ca 0.26 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 2o2p h LYS 660 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2o2p h LYS 660 CO -0.04 0.51 -0.32 0.77 -2.27 0.00 0.00 179.45 178.10 2o2p h SER 661 N 0.79 0.77 -0.81 4.20 0.02 -0.38 -1.58 113.55 116.57 2o2p h SER 661 Ca 0.30 -0.32 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2o2p h SER 661 Cb 0.10 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 2o2p h SER 661 CO -0.14 1.03 0.49 0.00 -1.14 0.00 0.00 176.83 177.07 2o2p h ALA 663 N 1.38 -0.12 0.00 0.00 0.00 -0.82 -1.65 119.26 118.06 2o2p h ALA 663 Ca 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2o2p h ALA 663 Cb 0.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2o2p h ALA 663 CO -0.17 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 179.88 2o2p n LEU 664 N -5.06 0.75 0.00 0.00 4.77 -0.64 -3.63 117.00 113.19 2o2p n LEU 664 Ca -0.08 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 2o2p n LEU 664 Cb 0.14 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2o2p n LEU 664 CO 0.33 -0.28 0.00 -1.54 -1.33 0.00 0.00 177.39 174.57 2o2p n SER 665 N -2.23 0.00 -0.96 -1.43 3.41 -0.98 -4.92 113.62 106.50 2o2p n SER 665 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2o2p n SER 665 Cb 0.37 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.39 2o2p n SER 665 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2o2p n ASN 666 N -0.56 1.07 -4.32 4.04 6.94 -1.22 -4.99 115.26 116.22 2o2p n ASN 666 Ca 0.00 -2.51 -0.37 0.00 -0.02 0.00 0.00 54.58 51.68 2o2p n ASN 666 Cb 0.00 -0.34 -0.05 0.00 -2.36 0.00 0.00 39.78 37.03 2o2p n ASN 666 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2o2p n VAL 667 N -0.13 -0.90 -1.45 3.53 0.24 -0.63 -4.93 118.33 114.06 2o2p n VAL 667 Ca 0.08 -0.12 -0.36 0.00 -2.04 0.00 0.00 64.34 61.91 2o2p n VAL 667 Cb 0.91 -1.30 0.09 0.00 -1.47 0.00 0.00 33.84 32.07 2o2p n VAL 667 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 2o2p n LYS 668 N -4.30 0.69 -1.97 7.34 2.85 -1.18 -4.96 118.16 116.62 2o2p n LYS 668 Ca -0.00 0.30 -0.35 0.00 -1.05 0.00 0.00 58.31 57.21 2o2p n LYS 668 Cb 0.52 -2.43 0.03 0.00 -0.65 0.00 0.00 35.03 32.51 2o2p n LYS 668 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2o2p s LYS 669 N -3.58 2.96 -0.02 -1.58 1.02 -0.63 -4.75 119.74 113.15 2o2p s LYS 669 Ca 0.78 1.68 -0.05 0.00 0.02 0.00 0.00 55.97 58.40 2o2p s LYS 669 Cb -0.35 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 2o2p s LYS 669 CO 0.46 -1.18 0.11 0.54 -0.92 0.00 0.00 175.35 174.36 2o2p s VAL 670 N -1.82 0.04 0.07 3.17 0.11 -1.26 -0.73 120.40 119.98 2o2p s VAL 670 Ca 0.74 -0.35 0.08 0.00 -2.93 0.00 0.00 61.98 59.52 2o2p s VAL 670 Cb -0.27 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 2o2p s VAL 670 CO 0.34 -0.19 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.26 2o2p s SER 671 N -0.63 2.59 -0.03 3.54 0.01 -0.56 -4.96 113.70 113.66 2o2p s SER 671 Ca -0.07 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2o2p s SER 671 Cb -0.04 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.02 2o2p s SER 671 CO 0.01 0.12 -0.03 -0.76 0.41 0.00 0.00 173.24 172.99 2o2p s LEU 672 N -1.54 1.39 -0.17 2.44 1.43 -0.80 -1.57 118.68 119.85 2o2p s LEU 672 Ca 0.08 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2o2p s LEU 672 Cb -0.09 -0.34 0.04 0.00 0.03 0.00 0.00 46.19 45.83 2o2p s LEU 672 CO 0.03 -0.05 -0.06 -0.70 0.23 0.00 0.00 176.35 175.80 2o2p s GLU 673 N 0.78 1.51 -0.18 1.70 -6.30 -0.35 -1.24 118.70 114.62 2o2p s GLU 673 Ca -0.09 -0.59 0.14 0.00 -2.50 0.00 0.00 54.97 51.93 2o2p s GLU 673 Cb -0.12 -2.10 0.37 0.00 0.00 0.00 0.00 34.13 32.28 2o2p s GLU 673 CO -0.00 -0.45 1.20 1.28 0.02 0.00 0.00 175.26 177.31 2o2p n LEU 674 N 4.84 2.57 0.00 2.70 4.77 0.53 -1.83 117.00 130.58 2o2p n LEU 674 Ca -0.12 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.25 2o2p n LEU 674 Cb 0.47 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2o2p n LEU 674 CO 0.17 1.16 0.00 0.61 -1.33 0.00 0.00 177.39 178.00 2o2p n GLY 675 N -1.22 -2.16 3.81 -0.72 0.00 -1.26 -4.37 105.19 99.28 2o2p n GLY 675 Ca 0.18 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.66 2o2p n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o2p s GLY 676 N -1.30 0.04 -0.53 -0.02 0.00 -1.24 -4.54 107.32 99.74 2o2p s GLY 676 Ca 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.35 2o2p s GLY 676 CO 0.00 -0.19 0.54 1.17 0.00 0.00 0.00 173.10 174.62 2o2p n LYS 677 N -0.45 1.32 -2.75 2.90 3.00 -1.26 -4.57 118.16 116.35 2o2p n LYS 677 Ca -0.04 -3.86 -0.42 0.00 -0.00 0.00 0.00 58.31 53.99 2o2p n LYS 677 Cb 0.59 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.79 2o2p n LYS 677 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2o2p s SER 678 N -1.33 7.25 0.08 3.14 0.01 -1.26 -4.72 113.70 116.87 2o2p s SER 678 Ca 0.34 1.52 -0.19 0.00 1.31 0.00 0.00 55.95 58.93 2o2p s SER 678 Cb 0.10 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 2o2p s SER 678 CO -0.11 -0.34 0.57 -2.16 0.41 0.00 0.00 173.24 171.61 2o2p s PRO 679 N 1.51 4.19 -0.20 12.44 0.04 -1.25 -0.11 135.00 151.61 2o2p s PRO 679 Ca 0.48 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 62.24 2o2p s PRO 679 Cb -0.19 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.16 2o2p s PRO 679 CO 0.22 0.62 -0.15 -1.17 0.04 0.00 0.00 177.00 176.56 2o2p s LEU 680 N -1.19 2.52 -0.26 -3.56 2.96 0.16 -0.73 118.68 118.58 2o2p s LEU 680 Ca 0.30 -0.69 -0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2o2p s LEU 680 Cb -0.19 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 2o2p s LEU 680 CO 0.19 -0.04 0.11 -0.63 -1.32 0.00 0.00 176.35 174.66 2o2p s ILE 681 N 1.31 4.65 -0.30 6.68 1.01 -0.17 -0.58 121.20 133.80 2o2p s ILE 681 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.61 2o2p s ILE 681 Cb -0.14 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.20 2o2p s ILE 681 CO -0.09 0.31 0.00 -0.63 0.00 0.00 0.00 174.94 174.53 2o2p s ILE 682 N 1.63 2.95 0.40 2.92 1.01 0.66 -0.77 121.20 129.99 2o2p s ILE 682 Ca 0.06 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 2o2p s ILE 682 Cb -0.15 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 2o2p s ILE 682 CO 0.06 -0.14 0.77 -0.36 0.00 0.00 0.00 174.94 175.27 2o2p s PHE 683 N 1.23 3.45 0.58 3.97 0.08 -0.67 -1.21 117.98 125.42 2o2p s PHE 683 Ca -0.05 1.09 0.29 0.00 0.12 0.00 0.00 56.93 58.39 2o2p s PHE 683 Cb -0.20 -2.47 1.80 0.00 -0.57 0.00 0.00 43.02 41.58 2o2p s PHE 683 CO -0.02 -0.09 2.24 0.00 -0.10 0.00 0.00 175.22 177.26 2o2p h ALA 684 N 1.40 1.51 -0.21 5.36 0.00 -1.88 -2.03 119.26 123.42 2o2p h ALA 684 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2o2p h ALA 684 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2o2p h ALA 684 CO 0.64 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 2o2p n ASP 685 N -3.84 1.11 -4.74 0.00 5.68 -1.26 -4.89 116.55 108.61 2o2p n ASP 685 Ca -0.03 -1.99 -0.29 0.00 -0.50 0.00 0.00 54.79 51.98 2o2p n ASP 685 Cb 0.09 -0.14 0.14 0.00 -1.14 0.00 0.00 41.12 40.08 2o2p n ASP 685 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2o2p s ASP 687 N -3.69 6.42 0.04 0.00 3.68 -1.26 -4.90 116.67 116.96 2o2p s ASP 687 Ca 0.64 0.45 -0.23 0.00 2.13 0.00 0.00 52.55 55.54 2o2p s ASP 687 Cb -0.17 -2.55 -0.15 0.00 -1.45 0.00 0.00 42.92 38.60 2o2p s ASP 687 CO 0.56 -1.44 1.49 0.25 0.13 0.00 0.00 175.17 176.16 2o2p h LEU 688 N 11.99 0.11 -1.20 -1.34 5.85 -1.94 -0.08 115.31 128.71 2o2p h LEU 688 Ca -0.25 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.23 2o2p h LEU 688 Cb 1.08 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 2o2p h LEU 688 CO 1.14 0.36 0.55 0.78 -0.34 0.00 0.00 178.44 180.94 2o2p h ASN 689 N -0.15 0.89 -0.32 1.25 2.35 -2.00 -0.17 115.58 117.44 2o2p h ASN 689 Ca 0.02 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 2o2p h ASN 689 Cb 0.30 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2o2p h ASN 689 CO 0.00 0.61 -0.25 0.11 -1.65 0.00 0.00 177.43 176.25 2o2p h LYS 690 N 1.03 0.81 -0.61 0.81 1.57 -1.93 -2.24 116.57 116.02 2o2p h LYS 690 Ca 0.34 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2o2p h LYS 690 Cb 0.06 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2o2p h LYS 690 CO -0.11 0.97 0.28 0.00 -0.57 0.00 0.00 179.45 180.03 2o2p h ALA 691 N 1.02 1.36 -0.29 3.86 0.00 -0.29 0.57 119.26 125.49 2o2p h ALA 691 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2o2p h ALA 691 Cb 0.78 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2o2p h ALA 691 CO 0.06 0.50 0.02 0.28 0.00 0.00 0.00 179.25 180.11 2o2p h VAL 692 N 0.86 1.25 0.02 0.00 2.07 -0.82 0.30 116.25 119.92 2o2p h VAL 692 Ca 0.21 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2o2p h VAL 692 Cb 0.10 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2o2p h VAL 692 CO -0.03 0.28 -0.01 1.56 0.02 0.00 0.00 177.57 179.40 2o2p h GLN 693 N 0.30 -0.02 -0.09 1.57 1.08 -0.98 -0.70 115.11 116.27 2o2p h GLN 693 Ca 0.08 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 2o2p h GLN 693 Cb 0.39 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2o2p h GLN 693 CO 0.01 0.16 -0.62 0.52 -0.95 0.00 0.00 178.83 177.95 2o2p h MET 694 N -0.20 0.32 -0.51 1.46 2.86 -0.93 -1.77 114.93 116.17 2o2p h MET 694 Ca -0.00 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 2o2p h MET 694 Cb 0.19 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2o2p h MET 694 CO 0.00 0.83 0.02 0.78 1.06 0.00 0.00 176.91 179.61 2o2p h GLY 695 N 1.38 0.96 0.98 8.32 0.00 -0.35 0.16 103.07 114.52 2o2p h GLY 695 Ca -0.01 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 2o2p h GLY 695 CO 0.10 0.64 0.24 -0.33 0.00 0.00 0.00 176.54 177.19 2o2p h MET 696 N 0.75 0.56 -0.43 4.80 2.07 -1.02 -2.71 114.93 118.95 2o2p h MET 696 Ca 0.15 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.68 2o2p h MET 696 Cb 0.50 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.09 2o2p h MET 696 CO 0.02 0.42 0.09 1.03 1.07 0.00 0.00 176.91 179.54 2o2p h SER 697 N 0.54 0.60 -0.03 1.22 0.87 -1.15 0.16 113.55 115.75 2o2p h SER 697 Ca 0.15 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2o2p h SER 697 Cb 0.01 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2o2p h SER 697 CO -0.03 0.61 0.03 0.77 -0.53 0.00 0.00 176.83 177.68 2o2p h SER 698 N 0.63 0.00 0.00 6.23 4.64 -0.64 -2.07 113.55 122.34 2o2p h SER 698 Ca 0.14 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.03 2o2p h SER 698 Cb 0.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 2o2p h SER 698 CO -0.00 0.00 -2.37 0.52 -0.87 0.00 0.00 176.83 174.11 2o2p n VAL 699 N -4.47 1.53 0.76 0.95 0.31 -0.93 -1.32 118.33 115.16 2o2p n VAL 699 Ca -0.02 -0.34 0.12 0.00 -0.01 0.00 0.00 64.34 64.09 2o2p n VAL 699 Cb 0.12 -1.89 0.25 0.00 -0.91 0.00 0.00 33.84 31.41 2o2p n VAL 699 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2o2p n PHE 700 N -4.25 0.33 -1.62 3.52 3.72 0.50 -3.66 117.46 116.00 2o2p n PHE 700 Ca -0.51 0.10 -0.46 0.00 -0.05 0.00 0.00 57.45 56.52 2o2p n PHE 700 Cb 0.86 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2o2p n PHE 700 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2o2p n PHE 701 N -1.85 1.61 -3.99 1.38 7.35 -0.78 -1.36 117.46 119.83 2o2p n PHE 701 Ca 0.04 0.61 -0.27 0.00 -0.76 0.00 0.00 57.45 57.07 2o2p n PHE 701 Cb 0.39 -2.33 -0.02 0.00 0.35 0.00 0.00 39.48 37.88 2o2p n PHE 701 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2o2p n ASN 702 N 1.71 -1.22 -2.94 -2.13 5.15 -1.26 -0.92 115.26 113.64 2o2p n ASN 702 Ca 0.11 -0.98 -0.15 0.00 -0.60 0.00 0.00 54.58 52.97 2o2p n ASN 702 Cb 0.30 -3.11 -0.01 0.00 -0.53 0.00 0.00 39.78 36.42 2o2p n ASN 702 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2o2p n LYS 703 N -4.41 -2.70 -0.84 1.20 0.00 -0.46 -1.24 118.16 109.70 2o2p n LYS 703 Ca -0.22 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 2o2p n LYS 703 Cb 0.64 -4.94 0.00 0.00 -0.00 0.00 0.00 35.03 30.73 2o2p n LYS 703 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2o2p n GLY 704 N -0.85 0.96 3.43 2.58 0.00 -0.10 -3.31 105.19 107.90 2o2p n GLY 704 Ca -0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 2o2p n GLY 704 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2o2p n GLU 705 N -2.00 3.37 -3.33 1.61 1.02 -0.37 -3.24 120.64 117.70 2o2p n GLU 705 Ca 0.00 -3.77 0.01 0.00 -0.02 0.00 0.00 57.16 53.37 2o2p n GLU 705 Cb 0.00 -3.08 -0.03 0.00 -0.02 0.00 0.00 31.44 28.31 2o2p n GLU 705 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2o2p s ASN 706 N 2.82 -1.07 0.55 1.62 3.04 -1.26 -4.70 114.94 115.94 2o2p s ASN 706 Ca 0.44 0.98 0.30 0.00 0.04 0.00 0.00 52.86 54.62 2o2p s ASN 706 Cb -0.01 2.03 1.63 0.00 -1.54 0.00 0.00 41.25 43.36 2o2p s ASN 706 CO 0.01 -0.25 2.13 0.00 -3.04 0.00 0.00 177.10 175.95 2o2p n ILE 708 N -3.57 0.72 -1.55 0.00 -5.35 -1.26 -3.72 119.36 104.63 2o2p n ILE 708 Ca -0.02 -0.84 -0.45 0.00 -0.27 0.00 0.00 62.75 61.17 2o2p n ILE 708 Cb 0.20 0.72 -0.02 0.00 -1.74 0.00 0.00 39.64 38.80 2o2p n ILE 708 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2o2p n ALA 709 N 1.52 -0.80 -2.15 -1.28 0.00 -0.71 -4.84 120.51 112.26 2o2p n ALA 709 Ca 0.22 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.61 2o2p n ALA 709 Cb 0.60 -1.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 2o2p n ALA 709 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2p s ALA 710 N -1.08 3.41 -0.83 0.00 0.00 -0.43 -4.00 121.76 118.83 2o2p s ALA 710 Ca 0.60 0.56 0.23 0.00 0.00 0.00 0.00 51.96 53.34 2o2p s ALA 710 Cb -0.73 -3.79 0.03 0.00 0.00 0.00 0.00 23.12 18.62 2o2p s ALA 710 CO 0.59 -1.71 1.04 0.41 0.00 0.00 0.00 175.76 176.09 2o2p n GLY 711 N 4.38 -1.12 2.97 0.00 0.00 0.85 -4.60 105.19 107.66 2o2p n GLY 711 Ca 0.18 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 2o2p n GLY 711 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o2p s ARG 712 N -3.09 0.12 -0.21 1.61 0.52 -1.08 -4.60 118.95 112.22 2o2p s ARG 712 Ca 0.07 0.20 -0.04 0.00 -0.52 0.00 0.00 55.73 55.43 2o2p s ARG 712 Cb 0.16 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.62 2o2p s ARG 712 CO 0.81 -0.05 -0.02 -0.51 0.02 0.00 0.00 175.30 175.55 2o2p s LEU 713 N 0.32 3.05 -0.31 2.53 1.02 0.56 -0.67 118.68 125.18 2o2p s LEU 713 Ca -0.02 -0.31 -0.12 0.00 0.02 0.00 0.00 54.13 53.69 2o2p s LEU 713 Cb -0.03 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 2o2p s LEU 713 CO -0.01 0.01 0.23 -0.36 0.02 0.00 0.00 176.35 176.24 2o2p s PHE 714 N 1.30 3.22 -0.11 0.29 0.40 0.26 -0.60 117.98 122.74 2o2p s PHE 714 Ca 0.04 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.37 2o2p s PHE 714 Cb -0.14 -2.45 -0.00 0.00 0.51 0.00 0.00 43.02 40.94 2o2p s PHE 714 CO -0.01 -0.27 -0.23 0.08 0.70 0.00 0.00 175.22 175.50 2o2p s VAL 715 N 1.77 2.16 0.39 -0.44 1.01 0.24 -0.24 120.40 125.29 2o2p s VAL 715 Ca 0.07 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.80 2o2p s VAL 715 Cb -0.17 -1.84 -0.11 0.00 0.00 0.00 0.00 36.38 34.27 2o2p s VAL 715 CO 0.11 0.55 1.49 -0.70 0.00 0.00 0.00 175.10 176.56 2o2p s GLU 716 N 0.39 4.04 0.23 2.72 2.12 -0.35 -1.98 118.70 125.88 2o2p s GLU 716 Ca -0.17 2.58 -0.09 0.00 0.36 0.00 0.00 54.97 57.65 2o2p s GLU 716 Cb -0.18 -2.93 0.37 0.00 0.26 0.00 0.00 34.13 31.66 2o2p s GLU 716 CO 0.08 -0.59 1.64 1.49 -0.54 0.00 0.00 175.26 177.33 2o2p h GLU 717 N 2.90 0.09 0.00 4.30 4.57 -1.22 -1.94 114.58 123.27 2o2p h GLU 717 Ca -0.51 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 2o2p h GLU 717 Cb 1.24 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2o2p h GLU 717 CO 0.64 0.06 -0.07 0.66 -1.18 0.00 0.00 179.01 179.11 2o2p h SER 718 N 0.09 0.00 -0.01 1.04 4.64 -1.89 -2.70 113.55 114.71 2o2p h SER 718 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2o2p h SER 718 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2o2p h SER 718 CO -0.64 0.07 -0.15 2.30 -0.87 0.00 0.00 176.83 177.54 2o2p n ILE 719 N -3.37 0.00 0.06 0.95 -5.35 -0.79 -4.76 119.36 106.09 2o2p n ILE 719 Ca -0.01 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 2o2p n ILE 719 Cb 0.23 1.19 -0.05 0.00 -1.74 0.00 0.00 39.64 39.27 2o2p n ILE 719 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2o2p h HIS 720 N 1.82 -0.38 -0.50 4.28 2.76 -1.05 0.11 115.15 122.19 2o2p h HIS 720 Ca 0.00 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 2o2p h HIS 720 Cb 0.46 0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2o2p h HIS 720 CO 0.00 -0.22 -0.13 -0.91 -1.30 0.00 0.00 177.93 175.37 2o2p h ASN 721 N -0.25 0.94 -0.49 3.26 2.35 -1.86 -1.04 115.58 118.49 2o2p h ASN 721 Ca 0.05 -0.31 -0.10 0.00 -0.55 0.00 0.00 56.30 55.39 2o2p h ASN 721 Cb 0.31 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2o2p h ASN 721 CO -0.14 1.07 -0.07 -0.61 -1.65 0.00 0.00 177.43 176.03 2o2p h GLN 722 N 0.83 0.92 -0.17 0.81 4.15 -1.83 -1.28 115.11 118.53 2o2p h GLN 722 Ca 0.13 -0.33 0.04 0.00 0.77 0.00 0.00 58.65 59.26 2o2p h GLN 722 Cb 0.67 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.25 2o2p h GLN 722 CO 0.05 0.98 -0.12 0.35 -1.93 0.00 0.00 178.83 178.16 2o2p h PHE 723 N 0.77 -0.29 -0.57 3.99 3.04 -0.47 -1.28 116.94 122.14 2o2p h PHE 723 Ca 0.13 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 2o2p h PHE 723 Cb 0.61 0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.25 2o2p h PHE 723 CO 0.05 -0.18 0.33 0.28 -2.02 0.00 0.00 178.31 176.77 2o2p h VAL 724 N -0.12 1.18 -0.38 1.41 2.07 -1.04 -0.35 116.25 119.02 2o2p h VAL 724 Ca 0.10 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.25 2o2p h VAL 724 Cb 0.27 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2o2p h VAL 724 CO -0.25 0.18 0.14 1.56 0.02 0.00 0.00 177.57 179.23 2o2p h GLN 725 N 0.77 0.29 -0.65 1.57 4.20 -0.98 -0.79 115.11 119.51 2o2p h GLN 725 Ca 0.20 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 2o2p h GLN 725 Cb 0.01 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2o2p h GLN 725 CO -0.04 0.19 0.13 0.87 -0.67 0.00 0.00 178.83 179.31 2o2p h LYS 726 N 0.30 1.07 -0.18 1.46 1.57 -0.92 -1.47 116.57 118.39 2o2p h LYS 726 Ca 0.17 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2o2p h LYS 726 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2o2p h LYS 726 CO -0.17 0.97 0.11 0.28 -0.57 0.00 0.00 179.45 180.07 2o2p h VAL 727 N 0.99 1.07 -0.85 0.50 2.07 -0.67 -1.31 116.25 118.04 2o2p h VAL 727 Ca 0.20 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2o2p h VAL 727 Cb 0.41 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2o2p h VAL 727 CO 0.01 0.07 0.56 0.58 0.02 0.00 0.00 177.57 178.80 2o2p h VAL 728 N 0.22 1.19 -0.67 2.57 2.07 -0.92 0.33 116.25 121.04 2o2p h VAL 728 Ca 0.07 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2o2p h VAL 728 Cb 0.01 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.71 2o2p h VAL 728 CO -0.01 0.20 0.42 -0.33 0.02 0.00 0.00 177.57 177.88 2o2p h GLU 729 N 1.12 0.81 0.05 1.57 5.08 -0.99 -1.97 114.58 120.26 2o2p h GLU 729 Ca 0.32 -0.05 -0.27 0.00 -1.00 0.00 0.00 59.36 58.36 2o2p h GLU 729 Cb -0.08 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.00 2o2p h GLU 729 CO -0.09 0.54 -1.11 0.93 -1.00 0.00 0.00 179.01 178.28 2o2p h GLU 730 N 0.84 0.57 -0.96 2.33 4.39 -0.54 -3.16 114.58 118.05 2o2p h GLU 730 Ca 0.27 -0.69 0.11 0.00 0.34 0.00 0.00 59.36 59.38 2o2p h GLU 730 Cb -0.00 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.79 2o2p h GLU 730 CO -0.10 1.29 0.61 0.28 -1.16 0.00 0.00 179.01 179.93 2o2p h VAL 731 N 0.29 0.95 0.00 3.13 2.07 -0.23 -0.70 116.25 121.76 2o2p h VAL 731 Ca -0.14 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2o2p h VAL 731 Cb 1.77 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2o2p h VAL 731 CO 0.21 0.18 -0.01 -0.33 0.02 0.00 0.00 177.57 177.63 2o2p h GLU 732 N 0.97 0.00 -0.00 1.57 5.08 -1.32 -2.02 114.58 118.86 2o2p h GLU 732 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2o2p h GLU 732 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2o2p h GLU 732 CO -0.22 0.01 -0.45 1.63 -1.00 0.00 0.00 179.01 178.98 2o2p n LYS 733 N -3.14 0.14 -2.12 2.33 5.02 -0.28 -4.91 118.16 115.21 2o2p n LYS 733 Ca -0.01 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 2o2p n LYS 733 Cb 0.18 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2o2p n LYS 733 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2o2p s MET 734 N -2.91 4.32 -0.35 1.97 -1.94 -0.76 -4.98 119.30 114.65 2o2p s MET 734 Ca 0.13 2.16 -0.19 0.00 -1.71 0.00 0.00 55.69 56.08 2o2p s MET 734 Cb 0.18 -3.19 -0.00 0.00 2.01 0.00 0.00 34.83 33.83 2o2p s MET 734 CO 0.67 -0.40 0.54 0.21 -0.01 0.00 0.00 175.02 176.02 2o2p s LYS 735 N 0.41 3.64 -0.15 2.03 2.47 -1.26 -4.98 119.74 121.90 2o2p s LYS 735 Ca 0.62 -0.11 -0.13 0.00 -1.56 0.00 0.00 55.97 54.79 2o2p s LYS 735 Cb -0.39 -3.81 -0.05 0.00 -1.46 0.00 0.00 37.83 32.13 2o2p s LYS 735 CO 0.36 -0.66 0.27 0.42 0.16 0.00 0.00 175.35 175.90 2o2p s ILE 736 N 2.45 5.31 -1.28 5.43 1.01 -1.26 -0.20 121.20 132.66 2o2p s ILE 736 Ca 0.20 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2o2p s ILE 736 Cb -0.15 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2o2p s ILE 736 CO 0.13 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2o2p n GLY 737 N 3.16 -1.08 3.67 6.18 0.00 -0.90 -4.97 105.19 111.25 2o2p n GLY 737 Ca -0.13 -0.86 -0.46 0.00 0.00 0.00 0.00 46.02 44.57 2o2p n GLY 737 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2o2p n ASN 738 N 0.56 2.93 0.23 1.61 2.85 -1.26 -4.42 115.26 117.76 2o2p n ASN 738 Ca 0.00 1.10 0.18 0.00 -0.11 0.00 0.00 54.58 55.75 2o2p n ASN 738 Cb 0.00 -1.42 0.86 0.00 1.24 0.00 0.00 39.78 40.46 2o2p n ASN 738 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2o2p h PRO 739 N 5.37 0.00 0.00 1.20 0.11 -1.87 -1.71 132.00 135.09 2o2p h PRO 739 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2o2p h PRO 739 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2o2p h PRO 739 CO 0.85 0.00 -0.38 -0.07 -0.21 0.00 0.00 178.00 178.18 2o2p h LEU 740 N 0.00 0.00 -9.40 2.35 3.38 -1.89 0.61 115.31 110.37 2o2p h LEU 740 Ca 0.08 -0.11 -0.54 0.00 0.09 0.00 0.00 57.88 57.39 2o2p h LEU 740 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2o2p h LEU 740 CO -0.00 0.06 0.81 -1.61 0.09 0.00 0.00 178.44 177.79 2o2p s GLU 741 N -3.16 4.29 0.41 1.13 0.41 -0.65 -4.90 118.70 116.24 2o2p s GLU 741 Ca 0.07 1.98 0.29 0.00 -0.41 0.00 0.00 54.97 56.90 2o2p s GLU 741 Cb 0.12 -3.52 1.17 0.00 -1.78 0.00 0.00 34.13 30.12 2o2p s GLU 741 CO 0.68 -0.55 1.85 0.00 -0.49 0.00 0.00 175.26 176.75 2o2p h ARG 742 N 7.68 0.00 -0.37 1.61 2.47 -1.87 -1.93 114.38 121.97 2o2p h ARG 742 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 2o2p h ARG 742 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2o2p h ARG 742 CO 0.89 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 181.02 2o2p n ASP 743 N -2.68 3.30 -4.71 7.04 3.85 -1.26 -4.95 116.55 117.14 2o2p n ASP 743 Ca 0.01 -1.97 -0.42 0.00 -0.71 0.00 0.00 54.79 51.70 2o2p n ASP 743 Cb 0.27 -0.24 -0.03 0.00 -1.35 0.00 0.00 41.12 39.78 2o2p n ASP 743 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2o2p s THR 744 N -1.53 2.67 -0.18 2.12 2.01 -0.73 -4.67 115.64 115.33 2o2p s THR 744 Ca 0.38 0.43 0.14 0.00 0.31 0.00 0.00 61.69 62.95 2o2p s THR 744 Cb 0.22 -3.27 -0.24 0.00 0.01 0.00 0.00 72.50 69.22 2o2p s THR 744 CO 0.31 0.03 0.13 0.59 -0.69 0.00 0.00 174.62 174.99 2o2p n ASN 745 N 4.30 0.48 -3.74 3.53 5.03 0.72 -4.95 115.26 120.63 2o2p n ASN 745 Ca 0.14 0.05 -0.26 0.00 0.87 0.00 0.00 54.58 55.38 2o2p n ASN 745 Cb 0.39 0.58 -0.17 0.00 -1.02 0.00 0.00 39.78 39.56 2o2p n ASN 745 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2o2p s HIS 746 N -2.51 0.89 0.59 3.10 5.04 -0.55 -4.93 115.29 116.92 2o2p s HIS 746 Ca -0.13 -0.66 -0.04 0.00 -1.54 0.00 0.00 55.06 52.68 2o2p s HIS 746 Cb 0.07 -0.95 0.13 0.00 0.04 0.00 0.00 32.58 31.86 2o2p s HIS 746 CO 0.80 -0.54 0.81 0.41 -2.34 0.00 0.00 174.74 173.88 2o2p n GLY 747 N 5.09 -0.07 3.82 1.59 0.00 -1.26 -2.12 105.19 112.24 2o2p n GLY 747 Ca -0.08 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 2o2p n GLY 747 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2o2p s PRO 748 N -4.63 3.05 0.83 1.61 0.04 -1.26 -4.75 135.00 129.89 2o2p s PRO 748 Ca 0.50 0.96 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 2o2p s PRO 748 Cb -0.02 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 32.60 2o2p s PRO 748 CO 0.34 -1.01 1.10 -0.65 0.04 0.00 0.00 177.00 176.83 2o2p s GLN 749 N -4.94 1.80 0.22 4.56 -1.52 0.36 -4.74 119.66 115.40 2o2p s GLN 749 Ca 0.58 1.23 -0.08 0.00 -1.95 0.00 0.00 55.36 55.15 2o2p s GLN 749 Cb -0.14 -1.84 0.17 0.00 -0.22 0.00 0.00 33.01 30.98 2o2p s GLN 749 CO 0.53 -1.98 1.81 -0.97 -0.25 0.00 0.00 175.29 174.42 2o2p h ASN 750 N -1.38 1.08 -5.04 5.90 -0.73 -1.86 -3.45 115.58 110.10 2o2p h ASN 750 Ca -0.44 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 57.58 2o2p h ASN 750 Cb 1.25 -0.28 -0.11 0.00 0.27 0.00 0.00 38.32 39.45 2o2p h ASN 750 CO 0.49 0.91 0.10 -1.38 -0.37 0.00 0.00 177.43 177.19 2o2p s HIS 751 N -5.70 -0.29 0.20 0.67 -3.43 -1.26 -4.54 115.29 100.94 2o2p s HIS 751 Ca -0.13 -0.01 -0.11 0.00 -0.80 0.00 0.00 55.06 54.01 2o2p s HIS 751 Cb 0.16 0.47 0.15 0.00 -1.43 0.00 0.00 32.58 31.93 2o2p s HIS 751 CO 0.83 -0.90 1.85 1.49 -2.00 0.00 0.00 174.74 176.01 2o2p h GLU 752 N 2.13 0.82 -0.40 -0.38 4.81 -1.94 -2.34 114.58 117.27 2o2p h GLU 752 Ca -0.30 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.85 2o2p h GLU 752 Cb 1.28 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 2o2p h GLU 752 CO 0.37 0.54 0.15 0.00 -0.73 0.00 0.00 179.01 179.34 2o2p h ALA 753 N 1.27 1.50 -0.28 2.92 0.00 -2.00 -0.92 119.26 121.76 2o2p h ALA 753 Ca 0.26 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 2o2p h ALA 753 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2o2p h ALA 753 CO -0.08 0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.75 2o2p h HIS 754 N 0.57 0.59 -0.53 0.00 -0.00 -1.87 -2.33 115.15 111.58 2o2p h HIS 754 Ca 0.14 -0.12 0.10 0.00 -0.00 0.00 0.00 60.37 60.49 2o2p h HIS 754 Cb 0.14 -0.15 -0.08 0.00 -0.00 0.00 0.00 27.41 27.33 2o2p h HIS 754 CO 0.01 0.71 0.06 1.25 -0.00 0.00 0.00 177.93 179.96 2o2p h LEU 755 N 0.29 -0.09 -1.03 0.26 5.85 -0.86 -1.58 115.31 118.15 2o2p h LEU 755 Ca 0.07 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2o2p h LEU 755 Cb 0.51 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2o2p h LEU 755 CO 0.02 -0.02 0.43 0.03 -0.34 0.00 0.00 178.44 178.56 2o2p h ARG 756 N 0.19 1.11 -0.75 1.25 2.47 -1.04 -1.86 114.38 115.75 2o2p h ARG 756 Ca 0.27 -0.13 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2o2p h ARG 756 Cb 0.39 -0.22 -0.04 0.00 -1.65 0.00 0.00 29.97 28.46 2o2p h ARG 756 CO -0.39 0.81 0.41 0.87 0.56 0.00 0.00 179.97 182.24 2o2p h LYS 757 N 1.11 1.04 -0.44 0.04 1.57 -0.83 -2.14 116.57 116.92 2o2p h LYS 757 Ca 0.28 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.80 2o2p h LYS 757 Cb 0.03 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2o2p h LYS 757 CO -0.04 0.76 -0.28 -0.07 -0.57 0.00 0.00 179.45 179.25 2o2p h LEU 758 N 1.05 1.02 -0.12 2.94 3.38 -0.53 0.16 115.31 123.20 2o2p h LEU 758 Ca 0.27 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.82 2o2p h LEU 758 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2o2p h LEU 758 CO -0.04 1.22 0.06 0.58 0.09 0.00 0.00 178.44 180.35 2o2p h VAL 759 N 0.82 0.99 -0.82 1.22 2.07 -1.19 -2.20 116.25 117.14 2o2p h VAL 759 Ca 0.09 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 2o2p h VAL 759 Cb 0.87 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 2o2p h VAL 759 CO 0.08 0.02 0.41 -0.08 0.02 0.00 0.00 177.57 178.02 2o2p h GLU 760 N 0.13 1.17 -0.52 1.57 4.57 -1.17 -1.98 114.58 118.34 2o2p h GLU 760 Ca 0.05 -0.16 0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2o2p h GLU 760 Cb 0.01 -0.22 -0.06 0.00 -0.16 0.00 0.00 28.75 28.33 2o2p h GLU 760 CO -0.04 0.90 0.22 -0.92 -1.18 0.00 0.00 179.01 177.98 2o2p h TYR 761 N 1.16 0.39 -0.16 0.92 5.03 -0.38 -0.37 116.97 123.56 2o2p h TYR 761 Ca 0.28 0.02 -0.18 0.00 2.58 0.00 0.00 58.73 61.44 2o2p h TYR 761 Cb 0.10 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 2o2p h TYR 761 CO 0.01 0.15 -0.63 0.00 -1.32 0.00 0.00 178.16 176.37 2o2p h GLN 763 N 0.42 0.69 -0.66 0.00 1.08 -0.97 -1.84 115.11 113.84 2o2p h GLN 763 Ca -0.01 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2o2p h GLN 763 Cb 1.20 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 28.44 2o2p h GLN 763 CO 0.12 0.46 0.24 -0.09 -0.95 0.00 0.00 178.83 178.61 2o2p h ARG 764 N 0.72 1.00 -0.75 1.46 2.43 -0.75 -0.81 114.38 117.69 2o2p h ARG 764 Ca 0.29 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2o2p h ARG 764 Cb 0.15 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 2o2p h ARG 764 CO -0.17 0.85 0.47 0.78 -1.51 0.00 0.00 179.97 180.40 2o2p h GLY 765 N 0.94 1.08 0.81 2.80 0.00 -0.85 -1.15 103.07 106.70 2o2p h GLY 765 Ca 0.22 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 2o2p h GLY 765 CO -0.01 0.30 -0.20 -2.08 0.00 0.00 0.00 176.54 174.54 2o2p h VAL 766 N 0.91 1.34 -0.91 4.60 2.07 -1.19 -1.44 116.25 121.63 2o2p h VAL 766 Ca 0.30 -1.38 0.09 0.00 0.82 0.00 0.00 66.70 66.53 2o2p h VAL 766 Cb 0.03 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 2o2p h VAL 766 CO -0.11 0.42 0.58 0.50 0.02 0.00 0.00 177.57 178.98 2o2p h LYS 767 N 0.11 0.91 -0.01 1.57 3.64 -0.81 -1.51 116.57 120.47 2o2p h LYS 767 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2o2p h LYS 767 Cb 0.75 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2o2p h LYS 767 CO 0.05 0.60 -0.01 -0.85 -2.27 0.00 0.00 179.45 176.97 2o2p n GLU 768 N -4.53 1.29 0.00 1.90 0.28 -0.46 -4.92 120.64 114.21 2o2p n GLU 768 Ca 0.15 -0.48 0.00 0.00 -0.16 0.00 0.00 57.16 56.67 2o2p n GLU 768 Cb 0.28 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.66 2o2p n GLU 768 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2o2p n GLY 769 N 1.11 0.95 3.81 -1.84 0.00 -0.57 -5.04 105.19 103.61 2o2p n GLY 769 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2o2p n GLY 769 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 770 N -2.00 2.79 -0.30 4.61 0.00 -0.56 -4.92 121.76 121.39 2o2p s ALA 770 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 2o2p s ALA 770 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2o2p s ALA 770 CO 0.00 -0.75 0.47 0.99 0.00 0.00 0.00 175.76 176.47 2o2p s THR 771 N -2.52 5.08 -0.43 0.00 2.01 0.20 -4.42 115.64 115.56 2o2p s THR 771 Ca 0.62 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.89 2o2p s THR 771 Cb -0.15 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2o2p s THR 771 CO 0.37 -0.02 1.06 -0.22 -0.69 0.00 0.00 174.62 175.12 2o2p s LEU 772 N 2.26 3.81 -0.11 4.42 2.96 -1.26 -0.69 118.68 130.07 2o2p s LEU 772 Ca 0.18 0.51 -0.13 0.00 -0.22 0.00 0.00 54.13 54.47 2o2p s LEU 772 Cb -0.16 -3.44 -0.27 0.00 0.50 0.00 0.00 46.19 42.83 2o2p s LEU 772 CO 0.11 -1.10 0.49 0.58 -1.32 0.00 0.00 176.35 175.11 2o2p h VAL 773 N 6.06 0.90 -3.41 1.68 2.07 -0.96 -3.49 116.25 119.11 2o2p h VAL 773 Ca -0.23 -2.38 -0.04 0.00 0.82 0.00 0.00 66.70 64.87 2o2p h VAL 773 Cb 1.07 2.62 -0.11 0.00 -1.52 0.00 0.00 31.29 33.34 2o2p h VAL 773 CO 1.07 0.73 -0.05 0.00 0.02 0.00 0.00 177.57 179.34 2o2p n GLY 775 N -0.28 0.82 0.36 0.00 0.00 -1.25 -1.78 105.19 103.05 2o2p n GLY 775 Ca -0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2o2p n GLY 775 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o2p n GLY 776 N 0.00 0.51 3.25 -0.02 0.00 -1.26 -4.97 105.19 102.69 2o2p n GLY 776 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2o2p n GLY 776 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2o2p s ASN 777 N -2.81 1.45 0.33 1.61 0.01 -1.26 -4.75 114.94 109.52 2o2p s ASN 777 Ca 0.00 -1.11 -0.29 0.00 -0.71 0.00 0.00 52.86 50.75 2o2p s ASN 777 Cb 0.00 0.06 -0.11 0.00 0.41 0.00 0.00 41.25 41.61 2o2p s ASN 777 CO 0.00 -0.48 1.51 1.67 -1.51 0.00 0.00 177.10 178.29 2o2p n GLN 778 N -0.23 2.62 -2.27 -0.60 7.27 -1.26 -1.13 117.38 121.78 2o2p n GLN 778 Ca -0.08 0.92 -0.42 0.00 0.07 0.00 0.00 57.00 57.49 2o2p n GLN 778 Cb 0.62 -2.66 -0.03 0.00 2.41 0.00 0.00 30.24 30.59 2o2p n GLN 778 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2o2p s VAL 779 N -0.62 3.80 -0.39 1.69 1.01 0.04 -4.80 120.40 121.13 2o2p s VAL 779 Ca 0.58 1.19 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 2o2p s VAL 779 Cb -0.50 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2o2p s VAL 779 CO 0.57 0.01 1.66 -2.84 0.00 0.00 0.00 175.10 174.50 2o2p s PRO 780 N 2.20 3.36 0.00 2.72 0.02 -1.26 -4.66 135.00 137.39 2o2p s PRO 780 Ca 0.62 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.80 2o2p s PRO 780 Cb -0.30 -4.15 0.00 0.00 0.02 0.00 0.00 34.50 30.07 2o2p s PRO 780 CO 0.26 -1.83 0.00 2.89 -0.33 0.00 0.00 177.00 177.99 2o2p n ARG 781 N 8.38 0.00 -1.37 5.54 1.85 -1.26 -5.16 116.66 124.65 2o2p n ARG 781 Ca 0.20 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.69 2o2p n ARG 781 Cb 0.48 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.96 2o2p n ARG 781 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2o2p n PRO 782 N -0.11 0.49 0.00 2.89 -0.02 -1.26 -4.75 135.00 132.24 2o2p n PRO 782 Ca 0.00 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2o2p n PRO 782 Cb 0.00 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2o2p n PRO 782 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2p n GLY 783 N 1.29 -1.69 2.76 -1.23 0.00 -1.18 -4.61 105.19 100.54 2o2p n GLY 783 Ca 0.12 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 2o2p n GLY 783 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2o2p n PHE 784 N 0.00 3.41 -3.42 1.61 3.72 -0.09 -4.92 117.46 117.76 2o2p n PHE 784 Ca 0.00 -3.98 -0.38 0.00 -0.05 0.00 0.00 57.45 53.03 2o2p n PHE 784 Cb 0.00 -0.49 -0.06 0.00 -0.94 0.00 0.00 39.48 37.99 2o2p n PHE 784 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2o2p s PHE 785 N -3.18 3.73 -0.02 1.38 0.08 -1.26 -0.49 117.98 118.22 2o2p s PHE 785 Ca 0.46 1.05 0.06 0.00 0.12 0.00 0.00 56.93 58.63 2o2p s PHE 785 Cb 0.27 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 2o2p s PHE 785 CO -0.12 0.58 -0.20 0.12 -0.10 0.00 0.00 175.22 175.50 2o2p s PHE 786 N -0.90 1.82 0.21 0.36 5.36 -1.26 -0.78 117.98 122.78 2o2p s PHE 786 Ca 0.25 -0.35 -0.30 0.00 -0.96 0.00 0.00 56.93 55.57 2o2p s PHE 786 Cb -0.17 -1.17 -0.08 0.00 -0.34 0.00 0.00 43.02 41.25 2o2p s PHE 786 CO 0.14 -0.04 1.18 -0.65 -1.46 0.00 0.00 175.22 174.40 2o2p s GLN 787 N -0.46 4.52 0.16 10.12 -0.21 -0.28 -4.80 119.66 128.71 2o2p s GLN 787 Ca 0.07 1.87 -0.34 0.00 0.02 0.00 0.00 55.36 56.98 2o2p s GLN 787 Cb -0.08 -3.22 -0.14 0.00 1.00 0.00 0.00 33.01 30.57 2o2p s GLN 787 CO -0.01 -0.02 1.56 -2.30 -2.12 0.00 0.00 175.29 172.40 2o2p n PRO 788 N 2.16 2.07 -4.96 2.91 -0.02 -1.26 -4.22 135.00 131.68 2o2p n PRO 788 Ca 0.03 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 61.98 2o2p n PRO 788 Cb 0.45 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 2o2p n PRO 788 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2o2p s THR 789 N 0.87 1.74 -0.08 3.45 2.01 -0.11 -3.80 115.64 119.73 2o2p s THR 789 Ca 0.79 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.77 2o2p s THR 789 Cb -0.70 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.36 2o2p s THR 789 CO 0.39 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.94 2o2p s VAL 790 N -0.60 0.99 -0.08 3.82 1.01 -0.73 -0.10 120.40 124.70 2o2p s VAL 790 Ca 0.08 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2o2p s VAL 790 Cb -0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2o2p s VAL 790 CO 0.00 0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.95 2o2p s PHE 791 N 1.08 2.77 0.49 5.22 0.08 0.79 -0.20 117.98 128.22 2o2p s PHE 791 Ca -0.07 -0.28 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2o2p s PHE 791 Cb -0.14 -1.71 -0.00 0.00 -0.57 0.00 0.00 43.02 40.59 2o2p s PHE 791 CO -0.01 0.09 0.04 0.25 -0.10 0.00 0.00 175.22 175.48 2o2p n THR 792 N 2.68 0.00 -3.30 0.64 -2.24 0.14 -0.98 114.28 111.23 2o2p n THR 792 Ca -0.18 -2.43 -0.24 0.00 -2.27 0.00 0.00 64.05 58.93 2o2p n THR 792 Cb 0.52 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.36 2o2p n THR 792 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2o2p n ASP 793 N -1.36 -5.44 -4.73 3.42 10.43 -1.22 -0.62 116.55 117.03 2o2p n ASP 793 Ca -0.18 -0.41 -0.40 0.00 2.57 0.00 0.00 54.79 56.38 2o2p n ASP 793 Cb 0.65 -4.39 -0.05 0.00 1.84 0.00 0.00 41.12 39.17 2o2p n ASP 793 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2o2p s VAL 794 N -3.16 4.98 0.17 2.53 1.01 -1.17 -4.45 120.40 120.31 2o2p s VAL 794 Ca 0.41 1.47 0.08 0.00 0.00 0.00 0.00 61.98 63.94 2o2p s VAL 794 Cb -0.20 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2o2p s VAL 794 CO 0.51 0.29 -0.06 -1.61 0.00 0.00 0.00 175.10 174.22 2o2p s GLU 795 N 0.56 2.19 0.58 2.72 2.02 -1.26 -4.53 118.70 120.99 2o2p s GLU 795 Ca 0.37 -1.17 0.28 0.00 0.02 0.00 0.00 54.97 54.47 2o2p s GLU 795 Cb -0.18 -2.25 1.70 0.00 0.10 0.00 0.00 34.13 33.50 2o2p s GLU 795 CO 0.19 0.45 2.20 -0.44 0.02 0.00 0.00 175.26 177.68 2o2p h ASP 796 N 2.95 0.00 0.88 -0.19 3.45 -1.97 -1.60 116.42 119.94 2o2p h ASP 796 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2o2p h ASP 796 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 2o2p h ASP 796 CO 0.55 0.00 -0.11 0.00 -1.57 0.00 0.00 179.24 178.11 2o2p n HIS 797 N -3.93 0.00 -2.42 4.55 1.44 -1.26 -4.76 115.22 108.84 2o2p n HIS 797 Ca -0.02 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.34 2o2p n HIS 797 Cb 0.16 -0.44 -0.02 0.00 0.12 0.00 0.00 29.99 29.80 2o2p n HIS 797 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2o2p s MET 798 N -3.00 3.77 0.22 -1.40 -1.94 -0.60 -4.94 119.30 111.40 2o2p s MET 798 Ca 0.13 1.54 -0.09 0.00 -1.71 0.00 0.00 55.69 55.57 2o2p s MET 798 Cb 0.19 -2.24 0.34 0.00 2.01 0.00 0.00 34.83 35.12 2o2p s MET 798 CO 0.57 -0.49 1.69 -0.92 -0.01 0.00 0.00 175.02 175.86 2o2p h TYR 799 N 1.79 0.17 0.00 -0.03 5.03 -1.91 -1.34 116.97 120.68 2o2p h TYR 799 Ca -0.49 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.86 2o2p h TYR 799 Cb 1.23 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.54 2o2p h TYR 799 CO 0.55 -0.07 0.00 0.44 -1.32 0.00 0.00 178.16 177.76 2o2p n ILE 800 N -5.16 0.76 0.65 1.81 -5.35 -1.26 -0.52 119.36 110.28 2o2p n ILE 800 Ca 0.10 0.13 0.13 0.00 -0.27 0.00 0.00 62.75 62.84 2o2p n ILE 800 Cb 0.36 -0.97 0.36 0.00 -1.74 0.00 0.00 39.64 37.65 2o2p n ILE 800 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2o2p n ALA 801 N -1.68 2.48 -0.04 -1.28 0.00 -0.52 -4.41 120.51 115.06 2o2p n ALA 801 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2o2p n ALA 801 Cb 0.26 -1.39 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 2o2p n ALA 801 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2o2p n LYS 802 N -2.15 1.00 -3.39 0.00 5.02 -0.36 -4.98 118.16 113.30 2o2p n LYS 802 Ca 0.05 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.99 2o2p n LYS 802 Cb 0.42 -1.16 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 2o2p n LYS 802 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2o2p s GLU 803 N -2.15 4.10 -0.05 1.97 2.56 0.32 -4.90 118.70 120.55 2o2p s GLU 803 Ca -0.08 0.53 -0.30 0.00 0.00 0.00 0.00 54.97 55.11 2o2p s GLU 803 Cb 0.02 -3.27 -0.04 0.00 2.00 0.00 0.00 34.13 32.84 2o2p s GLU 803 CO 0.20 0.56 1.24 -2.00 -0.56 0.00 0.00 175.26 174.70 2o2p s GLU 804 N -0.72 4.34 0.01 4.30 2.12 -1.26 -4.83 118.70 122.66 2o2p s GLU 804 Ca 0.26 1.73 -0.03 0.00 0.36 0.00 0.00 54.97 57.29 2o2p s GLU 804 Cb -0.17 -3.56 -0.27 0.00 0.26 0.00 0.00 34.13 30.38 2o2p s GLU 804 CO 0.15 -0.47 0.88 0.66 -0.54 0.00 0.00 175.26 175.93 2o2p h SER 805 N 7.54 0.38 -3.51 -1.70 4.64 -1.95 -3.48 113.55 115.47 2o2p h SER 805 Ca -0.35 -0.51 -0.38 0.00 -0.47 0.00 0.00 61.79 60.08 2o2p h SER 805 Cb 1.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2o2p h SER 805 CO 0.89 1.42 -0.50 0.33 -0.87 0.00 0.00 176.83 178.10 2o2p n PHE 806 N -3.45 -1.27 -4.27 4.77 7.35 -1.26 -4.91 117.46 114.41 2o2p n PHE 806 Ca -0.15 0.10 -0.18 0.00 -0.76 0.00 0.00 57.45 56.45 2o2p n PHE 806 Cb 1.04 -3.75 -0.08 0.00 0.35 0.00 0.00 39.48 37.03 2o2p n PHE 806 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2o2p s GLY 807 N -2.17 2.22 -1.43 7.13 0.00 -1.20 -3.88 107.32 107.99 2o2p s GLY 807 Ca 0.06 -2.02 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 2o2p s GLY 807 CO 0.08 -1.47 2.26 -1.55 0.00 0.00 0.00 173.10 172.42 2o2p n PRO 808 N -0.58 3.32 -3.85 2.90 -0.04 -1.21 -4.51 135.00 131.04 2o2p n PRO 808 Ca 0.07 -2.85 -0.30 0.00 -0.04 0.00 0.00 63.50 60.38 2o2p n PRO 808 Cb 0.63 -3.07 -0.16 0.00 -0.04 0.00 0.00 33.50 30.86 2o2p n PRO 808 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o2p s ILE 809 N 1.96 1.19 -0.18 0.52 1.01 -1.26 -0.94 121.20 123.51 2o2p s ILE 809 Ca 0.49 -1.20 -0.23 0.00 0.00 0.00 0.00 60.65 59.71 2o2p s ILE 809 Cb 0.14 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 2o2p s ILE 809 CO -0.06 -0.31 0.74 -0.32 0.00 0.00 0.00 174.94 174.99 2o2p s MET 810 N 1.52 4.27 -0.33 2.79 -2.45 0.85 -4.95 119.30 121.00 2o2p s MET 810 Ca 0.01 0.84 0.03 0.00 -1.25 0.00 0.00 55.69 55.31 2o2p s MET 810 Cb -0.18 -3.57 0.10 0.00 1.25 0.00 0.00 34.83 32.43 2o2p s MET 810 CO -0.11 -0.27 0.05 0.42 1.05 0.00 0.00 175.02 176.16 2o2p s ILE 811 N 1.97 2.11 -0.15 10.11 1.01 -1.26 -0.15 121.20 134.83 2o2p s ILE 811 Ca 0.34 -2.21 -0.03 0.00 0.00 0.00 0.00 60.65 58.74 2o2p s ILE 811 Cb -0.16 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 2o2p s ILE 811 CO 0.12 -0.59 -0.05 -0.63 0.00 0.00 0.00 174.94 173.78 2o2p s ILE 812 N 0.99 3.79 0.01 2.92 1.01 -0.15 -0.32 121.20 129.44 2o2p s ILE 812 Ca 0.10 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.43 2o2p s ILE 812 Cb -0.19 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2o2p s ILE 812 CO -0.10 0.50 -0.24 -0.44 0.00 0.00 0.00 174.94 174.66 2o2p s SER 813 N 0.32 2.83 0.59 3.58 0.01 0.23 -3.01 113.70 118.25 2o2p s SER 813 Ca -0.05 -0.49 -0.16 0.00 1.31 0.00 0.00 55.95 56.57 2o2p s SER 813 Cb -0.14 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 2o2p s SER 813 CO 0.03 0.26 1.06 -0.13 0.41 0.00 0.00 173.24 174.87 2o2p s ARG 814 N -0.84 3.32 0.14 12.44 0.52 -1.26 -0.59 118.95 132.69 2o2p s ARG 814 Ca 0.10 1.20 0.03 0.00 -0.52 0.00 0.00 55.73 56.53 2o2p s ARG 814 Cb -0.09 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 2o2p s ARG 814 CO 0.00 -0.81 -0.06 -0.59 0.02 0.00 0.00 175.30 173.86 2o2p s PHE 815 N -2.46 1.17 0.25 -0.53 -0.71 -0.84 -4.75 117.98 110.10 2o2p s PHE 815 Ca 0.63 -0.87 -0.30 0.00 -1.04 0.00 0.00 56.93 55.36 2o2p s PHE 815 Cb -0.16 -0.64 -0.09 0.00 -1.21 0.00 0.00 43.02 40.92 2o2p s PHE 815 CO 0.37 -0.06 1.21 0.00 -1.34 0.00 0.00 175.22 175.40 2o2p s ALA 816 N -3.49 3.45 0.07 1.99 0.00 -1.26 -0.71 121.76 121.82 2o2p s ALA 816 Ca 0.18 1.02 -0.36 0.00 0.00 0.00 0.00 51.96 52.80 2o2p s ALA 816 Cb 0.04 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 2o2p s ALA 816 CO 0.00 -0.39 1.46 -0.25 0.00 0.00 0.00 175.76 176.58 2o2p n ASP 817 N 1.75 2.17 0.00 0.00 8.00 -1.26 -1.80 116.55 125.42 2o2p n ASP 817 Ca 0.02 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2o2p n ASP 817 Cb 0.44 -1.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2o2p n ASP 817 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2o2p n GLY 818 N 2.96 1.87 3.82 0.44 0.00 -1.26 -5.02 105.19 108.01 2o2p n GLY 818 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2o2p n GLY 818 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2o2p s ASP 819 N -3.41 7.04 0.09 1.61 3.68 -0.74 -4.99 116.67 119.94 2o2p s ASP 819 Ca 0.00 1.44 0.00 0.00 2.13 0.00 0.00 52.55 56.12 2o2p s ASP 819 Cb 0.00 -2.43 0.00 0.00 -1.45 0.00 0.00 42.92 39.04 2o2p s ASP 819 CO 0.00 -0.01 0.00 0.52 0.13 0.00 0.00 175.17 175.81 2o2p n VAL 820 N 0.54 0.29 -0.04 1.11 0.31 -1.26 -4.82 118.33 114.46 2o2p n VAL 820 Ca -0.01 0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.41 2o2p n VAL 820 Cb 0.51 -1.04 0.27 0.00 -0.91 0.00 0.00 33.84 32.67 2o2p n VAL 820 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2o2p h ASP 821 N 0.00 0.58 -0.19 4.52 3.32 -1.99 -1.56 116.42 121.09 2o2p h ASP 821 Ca 0.00 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2o2p h ASP 821 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2o2p h ASP 821 CO 0.00 0.61 0.01 0.00 -1.72 0.00 0.00 179.24 178.14 2o2p h ALA 822 N 1.47 0.25 -0.54 3.45 0.00 -2.00 -1.35 119.26 120.55 2o2p h ALA 822 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2o2p h ALA 822 Cb 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2o2p h ALA 822 CO 0.00 -0.05 0.05 -0.24 0.00 0.00 0.00 179.25 179.01 2o2p h VAL 823 N 0.10 1.25 -0.56 0.00 3.04 -1.84 -2.42 116.25 115.81 2o2p h VAL 823 Ca 0.06 -0.99 0.03 0.00 -1.01 0.00 0.00 66.70 64.78 2o2p h VAL 823 Cb 0.36 0.78 -0.04 0.00 -2.01 0.00 0.00 31.29 30.38 2o2p h VAL 823 CO 0.01 0.36 0.32 -0.07 -1.01 0.00 0.00 177.57 177.18 2o2p h LEU 824 N 0.83 0.51 -0.61 3.16 3.38 -1.15 0.03 115.31 121.46 2o2p h LEU 824 Ca 0.17 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.22 2o2p h LEU 824 Cb 0.43 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2o2p h LEU 824 CO 0.02 0.36 0.28 0.28 0.09 0.00 0.00 178.44 179.46 2o2p h SER 825 N 0.64 0.35 -0.58 -0.43 0.02 -0.90 0.24 113.55 112.89 2o2p h SER 825 Ca 0.23 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.15 2o2p h SER 825 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2o2p h SER 825 CO -0.12 0.22 -0.00 0.03 -1.14 0.00 0.00 176.83 175.82 2o2p h ARG 826 N 0.50 1.02 -0.12 3.45 3.08 -0.96 -2.47 114.38 118.90 2o2p h ARG 826 Ca 0.30 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2o2p h ARG 826 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2o2p h ARG 826 CO -0.25 1.01 -0.24 0.00 -1.07 0.00 0.00 179.97 179.43 2o2p h ALA 827 N 0.97 1.39 -0.01 0.04 0.00 -0.45 -2.86 119.26 118.34 2o2p h ALA 827 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2o2p h ALA 827 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2o2p h ALA 827 CO 0.03 0.43 -0.12 0.09 0.00 0.00 0.00 179.25 179.67 2o2p n ASN 828 N -4.19 1.11 0.24 0.00 3.02 0.02 -4.39 115.26 111.08 2o2p n ASN 828 Ca -0.01 -1.10 0.16 0.00 -0.03 0.00 0.00 54.58 53.60 2o2p n ASN 828 Cb 0.34 0.05 0.79 0.00 -0.61 0.00 0.00 39.78 40.35 2o2p n ASN 828 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o2p h ALA 829 N 3.96 1.00 -2.17 5.41 0.00 -1.20 -3.45 119.26 122.81 2o2p h ALA 829 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2o2p h ALA 829 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2o2p h ALA 829 CO 0.00 0.00 0.36 -0.08 0.00 0.00 0.00 179.25 179.53 2o2p s THR 830 N -3.72 4.37 -1.45 0.00 -1.32 -1.26 -4.95 115.64 107.31 2o2p s THR 830 Ca -0.01 1.27 0.30 0.00 -1.21 0.00 0.00 61.69 62.04 2o2p s THR 830 Cb 0.10 -3.63 0.50 0.00 -1.51 0.00 0.00 72.50 67.95 2o2p s THR 830 CO 0.38 -0.51 2.01 -0.62 -2.21 0.00 0.00 174.62 173.66 2o2p n GLU 831 N -1.25 0.46 -1.96 7.08 -0.58 -1.26 -4.84 120.64 118.28 2o2p n GLU 831 Ca 0.07 -0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.48 2o2p n GLU 831 Cb 0.54 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.98 2o2p n GLU 831 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2o2p s PHE 832 N -2.57 3.05 -0.26 -0.32 0.08 -1.26 -0.41 117.98 116.29 2o2p s PHE 832 Ca 0.28 0.77 0.07 0.00 0.12 0.00 0.00 56.93 58.17 2o2p s PHE 832 Cb 0.20 -3.32 0.25 0.00 -0.57 0.00 0.00 43.02 39.58 2o2p s PHE 832 CO 0.47 -1.54 1.17 0.41 -0.10 0.00 0.00 175.22 175.63 2o2p n GLY 833 N -3.16 0.74 0.08 4.36 0.00 -1.22 -4.77 105.19 101.22 2o2p n GLY 833 Ca 0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 2o2p n GLY 833 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2o2p h LEU 834 N 0.92 0.00 -8.79 0.99 5.85 -1.81 -0.51 115.31 111.97 2o2p h LEU 834 Ca -0.32 -0.23 -0.41 0.00 0.84 0.00 0.00 57.88 57.76 2o2p h LEU 834 Cb 1.21 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.13 2o2p h LEU 834 CO -0.12 0.94 -0.39 0.00 -0.34 0.00 0.00 178.44 178.53 2o2p s ALA 835 N -2.56 1.53 -0.04 1.25 0.00 -1.26 -2.08 121.76 118.60 2o2p s ALA 835 Ca -0.17 -1.91 -0.31 0.00 0.00 0.00 0.00 51.96 49.57 2o2p s ALA 835 Cb 0.02 1.38 0.12 0.00 0.00 0.00 0.00 23.12 24.64 2o2p s ALA 835 CO 0.33 -0.71 1.22 -1.54 0.00 0.00 0.00 175.76 175.06 2o2p s SER 836 N -3.34 -0.10 0.13 0.00 1.04 -0.61 -3.94 113.70 106.88 2o2p s SER 836 Ca 0.38 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.51 2o2p s SER 836 Cb 0.01 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.37 2o2p s SER 836 CO 0.26 -0.36 0.44 -0.83 0.98 0.00 0.00 173.24 173.73 2o2p s GLY 837 N -2.76 -0.34 -0.06 7.32 0.00 0.09 -1.07 107.32 110.50 2o2p s GLY 837 Ca 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.90 2o2p s GLY 837 CO -0.04 -0.19 0.14 0.54 0.00 0.00 0.00 173.10 173.56 2o2p s VAL 838 N -3.69 -0.04 -0.23 1.40 0.11 0.07 -1.00 120.40 117.03 2o2p s VAL 838 Ca 0.02 0.14 -0.04 0.00 -2.93 0.00 0.00 61.98 59.17 2o2p s VAL 838 Cb 0.01 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2o2p s VAL 838 CO -0.11 0.06 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.31 2o2p s PHE 839 N 0.94 2.97 -0.18 1.54 0.08 0.05 -0.98 117.98 122.39 2o2p s PHE 839 Ca -0.07 -1.02 -0.28 0.00 0.12 0.00 0.00 56.93 55.67 2o2p s PHE 839 Cb -0.09 -2.10 0.11 0.00 -0.57 0.00 0.00 43.02 40.36 2o2p s PHE 839 CO -0.05 -0.58 0.90 -0.08 -0.10 0.00 0.00 175.22 175.32 2o2p s THR 840 N 1.46 0.00 -1.37 0.64 -1.32 -1.26 -1.67 115.64 112.12 2o2p s THR 840 Ca 0.05 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.82 2o2p s THR 840 Cb -0.15 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.19 2o2p s THR 840 CO -0.03 0.00 1.84 0.54 -2.21 0.00 0.00 174.62 174.75 2o2p n ARG 841 N 1.45 0.38 -3.05 7.08 1.74 -1.15 -4.83 116.66 118.28 2o2p n ARG 841 Ca -0.13 -0.11 -0.43 0.00 -0.77 0.00 0.00 57.85 56.41 2o2p n ARG 841 Cb 0.57 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.45 2o2p n ARG 841 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2o2p s ASP 842 N -2.69 6.40 0.28 0.55 3.68 -1.26 -4.94 116.67 118.69 2o2p s ASP 842 Ca 0.23 -0.06 -0.01 0.00 2.13 0.00 0.00 52.55 54.83 2o2p s ASP 842 Cb 0.19 -2.35 0.45 0.00 -1.45 0.00 0.00 42.92 39.76 2o2p s ASP 842 CO 0.52 -0.77 1.90 -0.29 0.13 0.00 0.00 175.17 176.66 2o2p h ILE 843 N 5.84 1.09 -0.42 4.11 2.10 -2.00 -0.94 117.51 127.29 2o2p h ILE 843 Ca -0.25 -0.39 -0.04 0.00 1.08 0.00 0.00 64.86 65.26 2o2p h ILE 843 Cb 1.10 -0.14 -0.02 0.00 -1.09 0.00 0.00 36.82 36.67 2o2p h ILE 843 CO 0.90 0.21 0.10 0.78 -1.08 0.00 0.00 178.15 179.06 2o2p h ASN 844 N 1.13 0.64 -0.37 2.19 2.35 -2.00 -1.30 115.58 118.22 2o2p h ASN 844 Ca 0.41 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2o2p h ASN 844 Cb 0.16 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 2o2p h ASN 844 CO -0.16 0.70 0.14 0.11 -1.65 0.00 0.00 177.43 176.58 2o2p h LYS 845 N 0.54 0.55 -0.28 0.81 1.57 -1.89 -1.93 116.57 115.94 2o2p h LYS 845 Ca 0.13 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2o2p h LYS 845 Cb 0.31 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 2o2p h LYS 845 CO 0.00 0.54 0.12 0.00 -0.57 0.00 0.00 179.45 179.54 2o2p h ALA 846 N 0.99 0.33 -0.33 3.86 0.00 -0.99 0.81 119.26 123.93 2o2p h ALA 846 Ca 0.12 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2o2p h ALA 846 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2o2p h ALA 846 CO -0.01 -0.27 -0.14 -0.07 0.00 0.00 0.00 179.25 178.76 2o2p h LEU 847 N 0.27 0.69 -0.10 0.00 3.38 -1.21 -0.86 115.31 117.48 2o2p h LEU 847 Ca 0.12 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2o2p h LEU 847 Cb 0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2o2p h LEU 847 CO -0.10 0.93 0.03 0.22 0.09 0.00 0.00 178.44 179.61 2o2p h TYR 848 N 0.45 0.17 -0.76 1.13 3.20 -1.19 -1.94 116.97 118.03 2o2p h TYR 848 Ca 0.08 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.96 2o2p h TYR 848 Cb 0.66 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2o2p h TYR 848 CO 0.06 0.32 0.48 0.28 -1.64 0.00 0.00 178.16 177.66 2o2p h VAL 849 N -0.03 1.12 -0.27 1.81 2.07 -0.83 -1.54 116.25 118.59 2o2p h VAL 849 Ca 0.03 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 2o2p h VAL 849 Cb 0.23 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2o2p h VAL 849 CO -0.00 0.17 -0.12 0.77 0.02 0.00 0.00 177.57 178.41 2o2p h SER 850 N 0.95 0.43 -0.32 0.57 4.64 -0.99 -0.76 113.55 118.07 2o2p h SER 850 Ca 0.30 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2o2p h SER 850 Cb -0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.96 2o2p h SER 850 CO -0.10 0.59 0.21 0.44 -0.87 0.00 0.00 176.83 177.09 2o2p h ASP 851 N 0.42 0.35 1.46 4.97 3.32 -0.81 -3.31 116.42 122.82 2o2p h ASP 851 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2o2p h ASP 851 Cb 0.47 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2o2p h ASP 851 CO 0.03 0.25 -0.54 0.11 -1.72 0.00 0.00 179.24 177.37 2o2p h LYS 852 N 0.42 0.00 -6.57 3.56 1.79 -0.57 -3.45 116.57 111.74 2o2p h LYS 852 Ca 0.12 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.06 2o2p h LYS 852 Cb -0.04 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2o2p h LYS 852 CO -0.03 0.03 0.79 -0.51 -1.08 0.00 0.00 179.45 178.65 2o2p s LEU 853 N -5.81 4.37 -1.22 2.94 1.43 -0.36 -4.92 118.68 115.11 2o2p s LEU 853 Ca 0.03 2.44 -0.07 0.00 -1.03 0.00 0.00 54.13 55.51 2o2p s LEU 853 Cb 0.07 -3.59 0.20 0.00 0.03 0.00 0.00 46.19 42.91 2o2p s LEU 853 CO 0.73 -0.72 1.89 0.00 0.23 0.00 0.00 176.35 178.49 2o2p n GLN 854 N 3.96 4.19 -3.82 1.70 1.13 -1.26 -4.92 117.38 118.35 2o2p n GLN 854 Ca 0.12 -3.84 -0.12 0.00 -1.94 0.00 0.00 57.00 51.22 2o2p n GLN 854 Cb 0.41 -2.73 -0.09 0.00 0.11 0.00 0.00 30.24 27.94 2o2p n GLN 854 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2o2p s ALA 855 N -1.08 -0.50 0.37 -1.58 0.00 -1.26 -4.52 121.76 113.19 2o2p s ALA 855 Ca 0.41 -0.03 0.21 0.00 0.00 0.00 0.00 51.96 52.55 2o2p s ALA 855 Cb 0.11 0.16 1.10 0.00 0.00 0.00 0.00 23.12 24.49 2o2p s ALA 855 CO -0.00 -0.28 1.95 0.78 0.00 0.00 0.00 175.76 178.21 2o2p h GLY 856 N 3.85 0.00 -5.61 0.00 0.00 -0.97 -3.42 103.07 96.92 2o2p h GLY 856 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.65 2o2p h GLY 856 CO 0.43 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.61 2o2p s THR 857 N -4.18 0.55 -0.14 4.70 2.01 -0.88 -4.75 115.64 112.94 2o2p s THR 857 Ca -0.03 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.75 2o2p s THR 857 Cb 0.13 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.16 2o2p s THR 857 CO 0.65 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.91 2o2p s VAL 858 N 0.20 1.66 -0.06 3.82 1.01 -1.26 -1.57 120.40 124.21 2o2p s VAL 858 Ca -0.02 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 2o2p s VAL 858 Cb -0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 2o2p s VAL 858 CO -0.00 0.47 0.35 -0.36 0.00 0.00 0.00 175.10 175.56 2o2p s PHE 859 N 1.25 3.65 -0.21 5.22 0.08 -0.23 -4.97 117.98 122.77 2o2p s PHE 859 Ca 0.00 0.84 0.02 0.00 0.12 0.00 0.00 56.93 57.91 2o2p s PHE 859 Cb -0.14 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.09 2o2p s PHE 859 CO -0.07 0.56 -0.15 0.42 -0.10 0.00 0.00 175.22 175.87 2o2p s ILE 860 N -0.68 1.99 -1.63 0.64 1.01 -1.26 -0.75 121.20 120.52 2o2p s ILE 860 Ca 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.71 2o2p s ILE 860 Cb -0.15 -1.94 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2o2p s ILE 860 CO 0.10 0.29 0.00 0.59 0.00 0.00 0.00 174.94 175.92 2o2p n ASN 861 N 4.58 -5.41 -3.28 3.58 3.02 -0.16 -4.94 115.26 112.65 2o2p n ASN 861 Ca -0.17 0.06 -0.07 0.00 -0.03 0.00 0.00 54.58 54.36 2o2p n ASN 861 Cb 0.47 -4.54 0.01 0.00 -0.61 0.00 0.00 39.78 35.11 2o2p n ASN 861 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2o2p s THR 862 N -2.92 0.00 0.02 3.41 -1.32 -1.26 -5.08 115.64 108.48 2o2p s THR 862 Ca 0.00 -0.94 -0.21 0.00 -1.21 0.00 0.00 61.69 59.33 2o2p s THR 862 Cb 0.00 -2.58 0.04 0.00 -1.51 0.00 0.00 72.50 68.45 2o2p s THR 862 CO 0.00 0.00 0.46 -0.47 -2.21 0.00 0.00 174.62 172.40 2o2p s TYR 863 N -2.81 -0.35 -1.58 9.09 5.04 -1.26 -4.76 117.35 120.72 2o2p s TYR 863 Ca 0.15 0.44 0.00 0.00 -2.44 0.00 0.00 57.07 55.22 2o2p s TYR 863 Cb -0.05 0.25 0.00 0.00 0.35 0.00 0.00 41.96 42.51 2o2p s TYR 863 CO 0.09 -0.56 0.00 0.09 -1.34 0.00 0.00 175.55 173.83 2o2p n ASN 864 N 0.71 -4.81 -3.89 4.32 3.02 -1.26 -4.90 115.26 108.45 2o2p n ASN 864 Ca -0.19 0.33 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 2o2p n ASN 864 Cb 0.59 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 2o2p n ASN 864 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2o2p n LYS 865 N -2.55 3.69 -2.13 3.52 3.00 -1.26 -4.97 118.16 117.47 2o2p n LYS 865 Ca -0.16 -3.62 -0.29 0.00 -0.00 0.00 0.00 58.31 54.24 2o2p n LYS 865 Cb 0.52 -2.89 0.03 0.00 0.00 0.00 0.00 35.03 32.68 2o2p n LYS 865 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2o2p s THR 866 N 0.15 4.01 -0.16 3.15 -4.23 -1.26 -5.09 115.64 112.20 2o2p s THR 866 Ca 0.39 0.40 -0.19 0.00 -1.18 0.00 0.00 61.69 61.10 2o2p s THR 866 Cb 0.09 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.37 2o2p s THR 866 CO 0.01 -0.73 0.52 -0.62 -0.54 0.00 0.00 174.62 173.26 2o2p s ASP 867 N -4.27 -0.53 0.64 3.99 -1.08 -1.26 -5.04 116.67 109.12 2o2p s ASP 867 Ca 0.55 0.93 0.42 0.00 -0.52 0.00 0.00 52.55 53.93 2o2p s ASP 867 Cb -0.11 0.95 2.30 0.00 -1.46 0.00 0.00 42.92 44.60 2o2p s ASP 867 CO 0.49 -0.26 2.30 -0.37 0.52 0.00 0.00 175.17 177.85 2o2p h VAL 868 N 4.12 0.00 -0.00 1.11 -1.51 -1.94 -0.62 116.25 117.40 2o2p h VAL 868 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 2o2p h VAL 868 Cb 1.17 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 2o2p h VAL 868 CO 0.22 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 176.13 2o2p n ALA 869 N -2.04 3.41 -3.10 5.19 0.00 -1.26 -0.78 120.51 121.92 2o2p n ALA 869 Ca -0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 2o2p n ALA 869 Cb 0.08 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.27 2o2p n ALA 869 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o2p s ALA 870 N -2.89 3.12 0.55 0.00 0.00 -0.24 -3.95 121.76 118.35 2o2p s ALA 870 Ca 0.14 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.50 2o2p s ALA 870 Cb 0.18 -2.18 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 2o2p s ALA 870 CO 0.66 -0.84 1.34 -1.25 0.00 0.00 0.00 175.76 175.66 2o2p s PRO 871 N 1.54 3.13 -0.19 0.00 0.04 -1.26 -4.38 135.00 133.89 2o2p s PRO 871 Ca 0.04 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 2o2p s PRO 871 Cb -0.17 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 32.21 2o2p s PRO 871 CO 0.03 -1.18 0.03 0.12 0.04 0.00 0.00 177.00 176.04 2o2p s PHE 872 N -1.33 0.99 -0.03 0.56 5.36 0.92 -4.96 117.98 119.49 2o2p s PHE 872 Ca 0.72 -0.82 -0.30 0.00 -0.96 0.00 0.00 56.93 55.57 2o2p s PHE 872 Cb -0.39 -1.01 0.11 0.00 -0.34 0.00 0.00 43.02 41.39 2o2p s PHE 872 CO 0.46 -0.60 1.18 0.20 -1.46 0.00 0.00 175.22 175.00 2o2p s GLY 873 N 1.87 -0.36 0.39 13.12 0.00 -1.26 -0.98 107.32 120.10 2o2p s GLY 873 Ca -0.01 0.83 0.08 0.00 0.00 0.00 0.00 44.72 45.62 2o2p s GLY 873 CO -0.08 0.21 0.41 -0.32 0.00 0.00 0.00 173.10 173.33 2o2p s GLY 874 N -2.74 1.96 0.44 0.20 0.00 -1.26 -4.14 107.32 101.78 2o2p s GLY 874 Ca 0.12 -1.74 0.07 0.00 0.00 0.00 0.00 44.72 43.16 2o2p s GLY 874 CO -0.03 -1.59 0.24 -1.36 0.00 0.00 0.00 173.10 170.35 2o2p s PHE 875 N -2.38 2.39 0.00 1.90 0.08 -0.31 -4.03 117.98 115.64 2o2p s PHE 875 Ca 0.48 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.88 2o2p s PHE 875 Cb -0.06 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 2o2p s PHE 875 CO 0.29 0.02 0.00 1.63 -0.10 0.00 0.00 175.22 177.06 2o2p n LYS 876 N -1.38 0.00 -0.01 0.44 5.02 -1.26 -1.67 118.16 119.30 2o2p n LYS 876 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 2o2p n LYS 876 Cb 0.64 0.00 0.41 0.00 -0.02 0.00 0.00 35.03 36.06 2o2p n LYS 876 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2o2p n GLN 877 N 14.00 1.06 0.07 1.97 6.02 0.45 -2.56 117.38 138.39 2o2p n GLN 877 Ca 0.00 -0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 2o2p n GLN 877 Cb 0.00 -1.23 0.46 0.00 1.02 0.00 0.00 30.24 30.49 2o2p n GLN 877 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2o2p n SER 878 N -0.64 0.45 0.00 1.08 7.64 -0.67 -4.70 113.62 116.79 2o2p n SER 878 Ca 0.11 0.57 0.00 0.00 1.01 0.00 0.00 58.87 60.56 2o2p n SER 878 Cb 0.07 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 2o2p n SER 878 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2o2p n GLY 879 N 0.77 0.21 3.49 0.23 0.00 -1.06 -0.35 105.19 108.50 2o2p n GLY 879 Ca 0.05 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 2o2p n GLY 879 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o2p s PHE 880 N 0.00 -0.37 0.00 1.61 -0.12 -0.37 -4.14 117.98 114.59 2o2p s PHE 880 Ca 0.00 0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 2o2p s PHE 880 Cb 0.00 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 2o2p s PHE 880 CO 0.00 -0.58 0.00 0.41 -0.05 0.00 0.00 175.22 175.00 2o2p n GLY 881 N -0.26 0.61 3.47 1.99 0.00 -1.26 -1.90 105.19 107.83 2o2p n GLY 881 Ca -0.10 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.98 2o2p n GLY 881 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o2p s LYS 882 N -3.78 2.26 0.13 1.61 -0.14 -1.26 -4.33 119.74 114.23 2o2p s LYS 882 Ca 0.00 -0.86 0.02 0.00 -1.36 0.00 0.00 55.97 53.77 2o2p s LYS 882 Cb 0.00 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.84 2o2p s LYS 882 CO 0.00 0.57 0.24 -0.51 -0.76 0.00 0.00 175.35 174.89 2o2p s ASP 883 N -1.17 6.17 0.28 2.83 1.01 -0.15 -4.22 116.67 121.42 2o2p s ASP 883 Ca 0.14 0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.53 2o2p s ASP 883 Cb -0.11 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.00 2o2p s ASP 883 CO 0.04 0.08 0.00 0.18 0.21 0.00 0.00 175.17 175.68 2o2p n LEU 884 N -0.32 -0.47 -0.80 1.23 4.77 -1.26 -0.05 117.00 120.08 2o2p n LEU 884 Ca -0.07 1.08 0.11 0.00 -0.03 0.00 0.00 56.01 57.10 2o2p n LEU 884 Cb 0.53 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 2o2p n LEU 884 CO 0.48 -0.91 -0.22 0.61 -1.33 0.00 0.00 177.39 176.02 2o2p n GLY 885 N -2.98 -2.07 0.37 -0.72 0.00 0.04 -2.96 105.19 96.86 2o2p n GLY 885 Ca -0.04 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.76 2o2p n GLY 885 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2o2p h GLU 886 N -0.76 0.85 -0.60 1.61 4.81 -1.88 -2.41 114.58 116.19 2o2p h GLU 886 Ca -0.02 -0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.26 2o2p h GLU 886 Cb 0.75 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 2o2p h GLU 886 CO 0.02 0.56 0.41 0.00 -0.73 0.00 0.00 179.01 179.27 2o2p h ALA 887 N 1.56 2.04 -0.27 2.92 0.00 -1.94 -1.41 119.26 122.17 2o2p h ALA 887 Ca 0.44 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.37 2o2p h ALA 887 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2o2p h ALA 887 CO -0.20 -0.18 0.18 0.00 0.00 0.00 0.00 179.25 179.05 2o2p h ALA 888 N 1.70 1.96 -0.34 0.00 0.00 -1.32 -2.42 119.26 118.84 2o2p h ALA 888 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2o2p h ALA 888 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2o2p h ALA 888 CO -0.08 -0.00 0.12 -0.07 0.00 0.00 0.00 179.25 179.22 2o2p h LEU 889 N 0.23 0.44 -1.75 0.00 3.38 -1.40 -2.81 115.31 113.40 2o2p h LEU 889 Ca 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2o2p h LEU 889 Cb 0.16 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2o2p h LEU 889 CO -0.02 0.42 -0.16 0.78 0.09 0.00 0.00 178.44 179.54 2o2p h ASN 890 N 0.48 0.00 0.77 -0.43 2.35 -1.57 0.27 115.58 117.45 2o2p h ASN 890 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2o2p h ASN 890 Cb 0.13 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.50 2o2p h ASN 890 CO -0.01 0.16 -0.04 -0.33 -1.65 0.00 0.00 177.43 175.57 2o2p h GLU 891 N 0.00 0.00 -0.23 0.81 4.39 -1.63 -3.19 114.58 114.73 2o2p h GLU 891 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2o2p h GLU 891 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2o2p h GLU 891 CO 0.02 0.04 0.00 0.66 -1.16 0.00 0.00 179.01 178.57 2o2p n TYR 892 N -3.18 0.31 -4.33 4.33 4.01 0.05 -5.00 117.16 113.35 2o2p n TYR 892 Ca -0.00 -0.50 -0.21 0.00 -0.16 0.00 0.00 57.90 57.03 2o2p n TYR 892 Cb 0.27 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.16 2o2p n TYR 892 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2o2p s LEU 893 N -1.01 2.46 0.24 7.72 1.43 -0.99 -3.16 118.68 125.38 2o2p s LEU 893 Ca 0.16 -0.89 0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2o2p s LEU 893 Cb 0.08 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 2o2p s LEU 893 CO 0.11 -0.07 -0.20 0.00 0.23 0.00 0.00 176.35 176.42 2o2p s ARG 894 N -2.95 1.55 -0.19 1.70 1.70 0.55 -4.81 118.95 116.49 2o2p s ARG 894 Ca 0.17 -1.66 -0.01 0.00 -0.47 0.00 0.00 55.73 53.76 2o2p s ARG 894 Cb -0.05 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.69 2o2p s ARG 894 CO 0.06 0.32 -0.13 0.42 -1.08 0.00 0.00 175.30 174.89 2o2p s ILE 895 N -2.36 2.69 -0.22 4.99 1.01 -1.26 -0.99 121.20 125.07 2o2p s ILE 895 Ca 0.25 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 60.08 2o2p s ILE 895 Cb -0.05 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 2o2p s ILE 895 CO 0.12 0.49 0.11 -0.75 0.00 0.00 0.00 174.94 174.91 2o2p s LYS 896 N 1.22 4.00 -0.16 2.79 2.20 -0.46 -4.95 119.74 124.38 2o2p s LYS 896 Ca 0.02 -0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 2o2p s LYS 896 Cb -0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2o2p s LYS 896 CO -0.06 0.13 0.33 0.99 -0.36 0.00 0.00 175.35 176.38 2o2p s THR 897 N 0.81 5.28 -0.16 3.43 2.01 -1.26 -0.79 115.64 124.96 2o2p s THR 897 Ca 0.06 0.62 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2o2p s THR 897 Cb -0.13 -3.67 0.02 0.00 0.01 0.00 0.00 72.50 68.73 2o2p s THR 897 CO 0.02 0.36 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.44 2o2p s VAL 898 N 0.60 1.92 -0.15 3.82 1.01 0.69 -4.99 120.40 123.29 2o2p s VAL 898 Ca 0.18 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2o2p s VAL 898 Cb -0.13 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2o2p s VAL 898 CO 0.05 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.63 2o2p s THR 899 N 1.21 1.63 0.00 3.92 2.01 -1.26 -0.91 115.64 122.25 2o2p s THR 899 Ca 0.02 -0.67 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 2o2p s THR 899 Cb -0.14 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2o2p s THR 899 CO -0.09 0.47 0.10 -0.36 -0.69 0.00 0.00 174.62 174.05 2o2p s PHE 900 N 1.42 3.33 -0.06 4.92 0.40 0.73 -4.98 117.98 123.74 2o2p s PHE 900 Ca 0.04 0.22 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 2o2p s PHE 900 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2o2p s PHE 900 CO -0.10 0.57 -0.18 -2.00 0.70 0.00 0.00 175.22 174.20 2o2p s GLU 901 N -1.86 2.60 0.00 0.44 2.12 -1.26 -1.99 118.70 118.76 2o2p s GLU 901 Ca 0.25 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2o2p s GLU 901 Cb -0.12 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.95 2o2p s GLU 901 CO 0.16 0.49 0.00 2.48 -0.54 0.00 0.00 175.26 177.85