#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 5.09 0.08 2.52 1.01 -1.26 -5.07 121.20 123.57 2o2p s ILE 406 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 60.65 60.40 2o2p s ILE 406 Cb 0.00 -3.22 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 2o2p s ILE 406 CO 0.00 0.58 1.26 0.20 0.00 0.00 0.00 174.94 176.98 2o2p s ASN 407 N -0.67 7.00 0.12 3.58 0.02 -1.26 -5.05 114.94 118.68 2o2p s ASN 407 Ca 0.12 2.11 0.09 0.00 -1.02 0.00 0.00 52.86 54.17 2o2p s ASN 407 Cb -0.12 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.53 2o2p s ASN 407 CO 0.02 -0.53 -0.23 -0.31 0.02 0.00 0.00 177.10 176.08 2o2p s TYR 408 N 1.08 1.98 -0.24 2.20 2.02 -1.26 -4.41 117.35 118.72 2o2p s TYR 408 Ca 0.61 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.70 2o2p s TYR 408 Cb -0.32 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2o2p s TYR 408 CO 0.29 0.27 0.62 0.08 -1.57 0.00 0.00 175.55 175.24 2o2p s VAL 409 N -1.21 5.00 -0.13 0.71 1.01 0.39 -4.87 120.40 121.32 2o2p s VAL 409 Ca 0.10 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 2o2p s VAL 409 Cb -0.10 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2o2p s VAL 409 CO 0.05 0.06 0.15 -0.70 0.00 0.00 0.00 175.10 174.66 2o2p s GLU 410 N 2.30 3.59 -0.10 2.72 2.12 -1.26 -0.84 118.70 127.23 2o2p s GLU 410 Ca 0.26 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.44 2o2p s GLU 410 Cb -0.16 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.05 2o2p s GLU 410 CO 0.09 0.69 0.22 0.21 -0.54 0.00 0.00 175.26 175.93 2o2p s LYS 411 N -0.79 0.14 -0.38 4.30 2.20 -0.74 -4.98 119.74 119.48 2o2p s LYS 411 Ca 0.14 0.57 -0.22 0.00 -0.36 0.00 0.00 55.97 56.10 2o2p s LYS 411 Cb -0.12 -0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.07 2o2p s LYS 411 CO 0.03 -0.22 0.70 0.00 -0.36 0.00 0.00 175.35 175.50 2o2p s ALA 412 N 1.74 3.41 -0.18 3.13 0.00 -1.26 -0.32 121.76 128.29 2o2p s ALA 412 Ca -0.04 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 2o2p s ALA 412 Cb -0.11 -3.29 0.11 0.00 0.00 0.00 0.00 23.12 19.83 2o2p s ALA 412 CO -0.08 -1.52 0.91 0.54 0.00 0.00 0.00 175.76 175.61 2o2p s VAL 413 N 2.92 0.00 -1.52 0.00 0.11 -0.60 -4.96 120.40 116.35 2o2p s VAL 413 Ca 0.27 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.28 2o2p s VAL 413 Cb -0.14 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.73 2o2p s VAL 413 CO 0.17 0.00 0.39 -3.20 -3.33 0.00 0.00 175.10 169.13 2o2p n ASN 414 N 1.40 -5.51 -1.45 3.54 5.15 -1.26 -1.57 115.26 115.56 2o2p n ASN 414 Ca -0.13 -0.19 -0.15 0.00 -0.60 0.00 0.00 54.58 53.51 2o2p n ASN 414 Cb 0.57 -4.51 -0.03 0.00 -0.53 0.00 0.00 39.78 35.27 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 -3.63 -1.13 -4.24 1.20 5.02 -1.26 -5.00 118.16 109.13 2o2p n LYS 415 Ca -0.13 0.87 -0.13 0.00 -2.02 0.00 0.00 58.31 56.89 2o2p n LYS 415 Cb 0.62 -5.12 -0.10 0.00 -0.02 0.00 0.00 35.03 30.42 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 -3.90 2.41 -0.42 -0.35 1.43 -0.61 -5.11 118.68 112.14 2o2p s LEU 416 Ca 0.00 -1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 51.99 2o2p s LEU 416 Cb 0.00 -0.22 0.11 0.00 0.03 0.00 0.00 46.19 46.11 2o2p s LEU 416 CO 0.00 -0.43 0.24 -0.89 0.23 0.00 0.00 176.35 175.50 2o2p s THR 417 N -3.47 3.61 0.27 5.49 2.01 -1.26 -1.56 115.64 120.72 2o2p s THR 417 Ca 0.18 -1.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.01 2o2p s THR 417 Cb 0.04 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 2o2p s THR 417 CO 0.01 -0.66 1.19 -0.76 -0.69 0.00 0.00 174.62 173.70 2o2p s LEU 418 N 1.23 4.49 -0.30 4.42 1.02 0.57 -4.89 118.68 125.23 2o2p s LEU 418 Ca 0.06 2.38 0.02 0.00 0.02 0.00 0.00 54.13 56.61 2o2p s LEU 418 Cb -0.24 -3.63 0.09 0.00 0.02 0.00 0.00 46.19 42.44 2o2p s LEU 418 CO -0.02 -0.31 0.03 -1.10 0.02 0.00 0.00 176.35 174.96 2o2p s GLN 419 N -1.19 1.29 -0.31 1.70 -1.52 -1.26 -1.80 119.66 116.57 2o2p s GLN 419 Ca 0.48 -1.37 -0.07 0.00 -1.95 0.00 0.00 55.36 52.45 2o2p s GLN 419 Cb -0.34 -2.65 0.02 0.00 -0.22 0.00 0.00 33.01 29.82 2o2p s GLN 419 CO 0.43 -0.86 0.08 -1.64 -0.25 0.00 0.00 175.29 173.06 2o2p s MET 420 N 1.27 2.95 0.67 2.91 -1.94 -0.02 -4.90 119.30 120.23 2o2p s MET 420 Ca 0.06 -0.95 -0.17 0.00 -1.71 0.00 0.00 55.69 52.92 2o2p s MET 420 Cb -0.18 -3.39 0.01 0.00 2.01 0.00 0.00 34.83 33.27 2o2p s MET 420 CO -0.13 -0.51 1.22 -2.14 -0.01 0.00 0.00 175.02 173.45 2o2p s PRO 421 N 1.47 2.49 0.00 2.03 0.02 -1.26 -0.46 135.00 139.28 2o2p s PRO 421 Ca 0.01 1.82 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2o2p s PRO 421 Cb -0.18 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2o2p s PRO 421 CO 0.02 -1.58 0.35 2.48 -0.33 0.00 0.00 177.00 177.94 2o2p n TYR 422 N -2.22 0.00 -3.44 6.54 4.11 -1.26 -4.69 117.16 116.20 2o2p n TYR 422 Ca 0.14 -0.04 -0.20 0.00 -0.00 0.00 0.00 57.90 57.79 2o2p n TYR 422 Cb 0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.82 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 -0.09 2.56 0.68 -3.48 -0.21 -1.26 -1.15 119.66 116.70 2o2p s GLN 423 Ca 0.00 -1.52 -0.17 0.00 0.02 0.00 0.00 55.36 53.69 2o2p s GLN 423 Cb 0.00 -2.45 0.01 0.00 1.00 0.00 0.00 33.01 31.57 2o2p s GLN 423 CO 0.00 -0.29 1.22 -0.51 -2.12 0.00 0.00 175.29 173.60 2o2p s LEU 424 N -4.22 3.46 -0.27 2.90 1.43 -0.48 -4.77 118.68 116.72 2o2p s LEU 424 Ca 0.49 2.41 0.03 0.00 -1.03 0.00 0.00 54.13 56.03 2o2p s LEU 424 Cb -0.05 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.64 2o2p s LEU 424 CO 0.29 -2.03 -0.09 0.12 0.23 0.00 0.00 176.35 174.88 2o2p s PHE 425 N -1.77 3.33 -0.05 0.29 5.36 -0.51 -0.98 117.98 123.65 2o2p s PHE 425 Ca 0.77 -2.39 -0.01 0.00 -0.96 0.00 0.00 56.93 54.34 2o2p s PHE 425 Cb -0.31 -2.06 0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2o2p s PHE 425 CO 0.41 -0.89 0.01 0.42 -1.46 0.00 0.00 175.22 173.71 2o2p s ILE 426 N 1.08 0.23 -1.47 3.12 1.01 -0.25 -0.54 121.20 124.38 2o2p s ILE 426 Ca -0.06 0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.65 2o2p s ILE 426 Cb -0.20 -0.37 0.03 0.00 0.01 0.00 0.00 42.46 41.93 2o2p s ILE 426 CO -0.05 0.20 0.75 0.61 0.00 0.00 0.00 174.94 176.44 2o2p n GLY 427 N 4.67 -0.52 1.66 6.18 0.00 -1.26 -2.29 105.19 113.63 2o2p n GLY 427 Ca -0.16 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.59 0.56 2.97 -0.02 0.00 -1.26 -4.44 105.19 101.41 2o2p n GLY 428 Ca -0.06 -0.22 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 0.29 -0.16 1.61 -1.05 -0.97 -5.03 118.70 112.86 2o2p s GLU 429 Ca 0.00 -0.56 -0.22 0.00 -0.15 0.00 0.00 54.97 54.04 2o2p s GLU 429 Cb 0.00 0.10 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 2o2p s GLU 429 CO 0.00 -0.05 0.67 -0.06 0.95 0.00 0.00 175.26 176.77 2o2p s PHE 430 N -1.34 3.43 0.03 4.83 0.40 -1.26 -1.10 117.98 122.98 2o2p s PHE 430 Ca -0.15 1.05 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 2o2p s PHE 430 Cb -0.09 -2.82 -0.02 0.00 0.51 0.00 0.00 43.02 40.60 2o2p s PHE 430 CO -0.01 -0.11 -0.06 0.14 0.70 0.00 0.00 175.22 175.89 2o2p s VAL 431 N 1.63 0.36 0.69 -0.44 -7.23 -0.15 -4.96 120.40 110.31 2o2p s VAL 431 Ca 0.32 -0.93 -0.16 0.00 -1.81 0.00 0.00 61.98 59.41 2o2p s VAL 431 Cb -0.16 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.35 2o2p s VAL 431 CO 0.12 -0.38 1.18 -1.81 -0.31 0.00 0.00 175.10 173.91 2o2p s ASP 432 N -1.39 4.56 0.87 4.85 1.01 -1.26 -1.38 116.67 123.93 2o2p s ASP 432 Ca -0.11 2.28 -0.11 0.00 0.71 0.00 0.00 52.55 55.32 2o2p s ASP 432 Cb -0.09 -2.58 0.11 0.00 1.01 0.00 0.00 42.92 41.37 2o2p s ASP 432 CO -0.00 -2.01 1.09 0.00 0.21 0.00 0.00 175.17 174.46 2o2p s ALA 433 N -2.01 1.68 0.08 5.23 0.00 -1.26 -4.86 121.76 120.62 2o2p s ALA 433 Ca 0.73 0.03 -0.36 0.00 0.00 0.00 0.00 51.96 52.35 2o2p s ALA 433 Cb -0.27 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 2o2p s ALA 433 CO 0.42 -2.25 1.44 -1.91 0.00 0.00 0.00 175.76 173.47 2o2p n GLU 434 N -3.82 1.43 -1.20 0.00 2.13 -1.26 -0.67 120.64 117.24 2o2p n GLU 434 Ca 0.08 0.52 -0.07 0.00 0.66 0.00 0.00 57.16 58.34 2o2p n GLU 434 Cb 0.55 -2.20 -0.03 0.00 0.27 0.00 0.00 31.44 30.03 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 2.91 0.86 2.99 8.31 0.00 -1.26 -3.24 105.19 115.76 2o2p n GLY 435 Ca 0.19 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 -3.57 -4.77 1.61 7.64 0.15 -4.92 113.62 109.61 2o2p n SER 436 Ca -0.07 -0.13 -0.40 0.00 1.01 0.00 0.00 58.87 59.28 2o2p n SER 436 Cb 0.34 -3.00 -0.02 0.00 -1.01 0.00 0.00 64.21 60.52 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 -5.61 4.33 0.23 1.43 1.02 -1.20 -4.90 119.74 115.05 2o2p s LYS 437 Ca 0.24 2.13 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2o2p s LYS 437 Cb -0.12 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2o2p s LYS 437 CO 0.29 -0.17 0.13 0.95 -0.92 0.00 0.00 175.35 175.63 2o2p s THR 438 N -1.17 0.15 0.13 2.17 -4.23 -1.26 -1.16 115.64 110.27 2o2p s THR 438 Ca 0.50 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.95 2o2p s THR 438 Cb -0.38 -2.53 -0.02 0.00 1.34 0.00 0.00 72.50 70.91 2o2p s THR 438 CO 0.50 0.00 0.18 -0.72 -0.54 0.00 0.00 174.62 174.04 2o2p s TYR 439 N -3.99 0.50 -0.07 3.99 -0.85 0.01 -4.76 117.35 112.17 2o2p s TYR 439 Ca 0.39 -0.89 -0.18 0.00 -0.52 0.00 0.00 57.07 55.87 2o2p s TYR 439 Cb 0.07 -0.20 -0.05 0.00 0.38 0.00 0.00 41.96 42.16 2o2p s TYR 439 CO 0.14 -0.61 0.47 -0.80 -1.52 0.00 0.00 175.55 173.23 2o2p s ASN 440 N -2.97 6.75 -0.14 -0.18 0.01 -1.26 -0.20 114.94 116.95 2o2p s ASN 440 Ca 0.16 0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 53.10 2o2p s ASN 440 Cb 0.05 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 2o2p s ASN 440 CO -0.02 0.10 0.22 0.28 -1.51 0.00 0.00 177.10 176.17 2o2p s THR 441 N 0.07 5.36 -0.13 1.60 -1.32 -0.72 -4.96 115.64 115.55 2o2p s THR 441 Ca 0.26 0.38 -0.03 0.00 -1.21 0.00 0.00 61.69 61.09 2o2p s THR 441 Cb -0.16 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 2o2p s THR 441 CO 0.12 0.50 -0.03 -0.63 -2.21 0.00 0.00 174.62 172.37 2o2p s ILE 442 N -0.25 4.02 -0.37 5.08 -1.09 -1.26 -0.79 121.20 126.53 2o2p s ILE 442 Ca 0.15 -0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 57.95 2o2p s ILE 442 Cb -0.13 -2.74 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 2o2p s ILE 442 CO 0.04 0.53 1.09 0.21 -1.23 0.00 0.00 174.94 175.57 2o2p s ASN 443 N -0.03 6.83 0.08 3.58 3.84 0.68 -4.84 114.94 125.08 2o2p s ASN 443 Ca 0.02 0.86 0.19 0.00 0.21 0.00 0.00 52.86 54.13 2o2p s ASN 443 Cb -0.13 -2.54 0.78 0.00 -0.55 0.00 0.00 41.25 38.81 2o2p s ASN 443 CO 0.02 -1.00 1.58 -0.81 -2.79 0.00 0.00 177.10 174.11 2o2p n PRO 444 N 7.17 0.07 0.14 0.43 -0.04 -1.26 0.35 135.00 141.86 2o2p n PRO 444 Ca 0.12 0.28 -0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2o2p n PRO 444 Cb 0.48 -1.62 0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.34 0.00 0.52 2.02 -1.89 -0.46 112.91 114.44 2o2p h THR 445 Ca 0.00 -2.14 0.00 0.00 0.77 0.00 0.00 66.41 65.04 2o2p h THR 445 Cb 0.32 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2o2p h THR 445 CO 0.00 0.59 0.00 -0.90 0.37 0.00 0.00 175.52 175.58 2o2p n ASP 446 N -3.68 0.00 0.00 4.18 3.85 -1.09 -3.57 116.55 116.24 2o2p n ASP 446 Ca -0.01 -0.76 0.00 0.00 -0.71 0.00 0.00 54.79 53.31 2o2p n ASP 446 Cb 0.63 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.40 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 0.69 3.82 6.12 0.00 0.16 -4.06 105.19 111.91 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 -2.44 5.91 -0.16 1.61 1.04 -1.22 -4.70 113.70 113.75 2o2p s SER 448 Ca 0.00 1.67 -0.29 0.00 0.48 0.00 0.00 55.95 57.81 2o2p s SER 448 Cb 0.00 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 2o2p s SER 448 CO 0.00 -1.08 1.13 -0.69 0.98 0.00 0.00 173.24 173.59 2o2p s VAL 449 N -2.72 4.49 -0.06 5.02 1.01 -1.26 -0.23 120.40 126.65 2o2p s VAL 449 Ca 0.60 1.80 -0.24 0.00 0.00 0.00 0.00 61.98 64.14 2o2p s VAL 449 Cb -0.14 -4.16 -0.19 0.00 0.00 0.00 0.00 36.38 31.90 2o2p s VAL 449 CO 0.42 -0.10 0.95 0.40 0.00 0.00 0.00 175.10 176.77 2o2p h ILE 450 N 5.32 1.19 -1.99 2.22 2.04 -1.31 -3.47 117.51 121.51 2o2p h ILE 450 Ca -0.26 -1.38 0.25 0.00 1.00 0.00 0.00 64.86 64.47 2o2p h ILE 450 Cb 1.11 2.03 -0.09 0.00 -0.74 0.00 0.00 36.82 39.13 2o2p h ILE 450 CO 0.94 0.32 0.68 0.00 0.00 0.00 0.00 178.15 180.09 2o2p s GLN 452 N -2.62 4.31 0.02 0.00 1.11 -1.26 -1.75 119.66 119.46 2o2p s GLN 452 Ca 0.16 0.84 0.08 0.00 0.01 0.00 0.00 55.36 56.45 2o2p s GLN 452 Cb 0.01 -3.27 -0.02 0.00 -1.01 0.00 0.00 33.01 28.72 2o2p s GLN 452 CO 0.00 0.56 -0.23 0.08 0.01 0.00 0.00 175.29 175.71 2o2p s VAL 453 N -0.91 1.84 0.44 1.09 1.01 0.71 -4.86 120.40 119.72 2o2p s VAL 453 Ca 0.31 -1.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 2o2p s VAL 453 Cb -0.20 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.53 2o2p s VAL 453 CO 0.20 0.38 1.22 -1.20 0.00 0.00 0.00 175.10 175.71 2o2p n SER 454 N 2.13 2.29 -4.13 3.32 7.64 -0.30 -0.81 113.62 123.75 2o2p n SER 454 Ca -0.16 1.08 -0.37 0.00 1.01 0.00 0.00 58.87 60.42 2o2p n SER 454 Cb 0.52 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 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 -1.64 5.37 0.23 -3.43 2.96 -0.31 -4.31 118.68 117.55 2o2p s LEU 455 Ca 0.63 -2.42 -0.32 0.00 -0.22 0.00 0.00 54.13 51.80 2o2p s LEU 455 Cb -0.51 -1.88 -0.13 0.00 0.50 0.00 0.00 46.19 44.17 2o2p s LEU 455 CO 0.57 -0.49 1.45 0.00 -1.32 0.00 0.00 176.35 176.56 2o2p n ALA 456 N 4.11 1.24 -2.19 5.97 0.00 -0.61 -4.72 120.51 124.31 2o2p n ALA 456 Ca 0.02 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 -0.16 2.56 0.27 0.00 -1.52 -1.26 -4.68 119.66 114.87 2o2p s GLN 457 Ca 0.70 -1.51 -0.01 0.00 -1.95 0.00 0.00 55.36 52.58 2o2p s GLN 457 Cb -0.65 -2.43 0.47 0.00 -0.22 0.00 0.00 33.01 30.18 2o2p s GLN 457 CO 0.47 -0.23 1.84 0.28 -0.25 0.00 0.00 175.29 177.40 2o2p h VAL 458 N 0.94 0.97 -0.12 1.09 2.07 -1.94 -0.09 116.25 119.16 2o2p h VAL 458 Ca -0.41 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2o2p h VAL 458 Cb 1.27 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2o2p h VAL 458 CO 0.55 0.18 -0.09 0.77 0.02 0.00 0.00 177.57 179.00 2o2p h SER 459 N 1.00 0.17 -0.19 0.57 4.64 -1.99 -1.62 113.55 116.12 2o2p h SER 459 Ca 0.45 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.56 2o2p h SER 459 Cb 0.36 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2o2p h SER 459 CO -0.23 0.29 -0.58 0.44 -0.87 0.00 0.00 176.83 175.88 2o2p h ASP 460 N 0.18 0.89 -0.39 4.97 3.32 -1.44 -1.44 116.42 122.51 2o2p h ASP 460 Ca 0.04 -0.49 0.01 0.00 0.02 0.00 0.00 57.03 56.61 2o2p h ASP 460 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2o2p h ASP 460 CO 0.02 1.28 0.25 0.58 -1.72 0.00 0.00 179.24 179.64 2o2p h VAL 461 N 0.60 1.07 -0.81 -1.35 2.07 -0.65 -0.86 116.25 116.32 2o2p h VAL 461 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2o2p h VAL 461 Cb 1.18 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2o2p h VAL 461 CO 0.12 0.09 0.47 0.44 0.02 0.00 0.00 177.57 178.72 2o2p h ASP 462 N 0.50 0.99 -0.87 0.57 3.45 -1.23 -0.38 116.42 119.46 2o2p h ASP 462 Ca 0.15 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 2o2p h ASP 462 Cb -0.03 -0.25 -0.04 0.00 -0.56 0.00 0.00 39.33 38.45 2o2p h ASP 462 CO -0.05 0.78 0.44 0.11 -1.57 0.00 0.00 179.24 178.95 2o2p h LYS 463 N 1.12 1.23 -0.34 3.56 1.57 -0.94 0.34 116.57 123.11 2o2p h LYS 463 Ca 0.29 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2o2p h LYS 463 Cb -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 2o2p h LYS 463 CO -0.05 0.93 -0.05 0.00 -0.57 0.00 0.00 179.45 179.71 2o2p h ALA 464 N 1.24 0.46 -0.69 3.86 0.00 -0.53 -0.33 119.26 123.28 2o2p h ALA 464 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2o2p h ALA 464 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2o2p h ALA 464 CO -0.04 0.27 0.21 0.28 0.00 0.00 0.00 179.25 179.97 2o2p h VAL 465 N 0.42 1.26 -0.83 0.00 2.07 -0.93 -0.70 116.25 117.54 2o2p h VAL 465 Ca 0.09 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2o2p h VAL 465 Cb 0.53 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2o2p h VAL 465 CO 0.03 0.34 0.40 0.00 0.02 0.00 0.00 177.57 178.37 2o2p h ALA 466 N 1.09 1.06 -0.51 1.67 0.00 -0.75 0.96 119.26 122.77 2o2p h ALA 466 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2o2p h ALA 466 Cb 0.31 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2o2p h ALA 466 CO -0.01 0.62 0.14 0.00 0.00 0.00 0.00 179.25 180.01 2o2p h ALA 467 N 1.21 0.68 -0.53 0.00 0.00 -0.71 -1.22 119.26 118.70 2o2p h ALA 467 Ca 0.28 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2o2p h ALA 467 Cb 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2o2p h ALA 467 CO -0.04 0.36 -0.05 0.00 0.00 0.00 0.00 179.25 179.52 2o2p h ALA 468 N 1.01 0.72 -0.21 0.00 0.00 -0.77 -1.08 119.26 118.93 2o2p h ALA 468 Ca 0.16 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2o2p h ALA 468 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2o2p h ALA 468 CO -0.00 0.58 0.12 -0.22 0.00 0.00 0.00 179.25 179.73 2o2p h LYS 469 N 0.84 0.25 -0.54 0.00 3.64 -0.65 -0.87 116.57 119.23 2o2p h LYS 469 Ca 0.14 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2o2p h LYS 469 Cb 0.60 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 2o2p h LYS 469 CO 0.04 0.16 0.18 1.49 -2.27 0.00 0.00 179.45 179.05 2o2p h GLU 470 N 0.25 0.84 -0.73 1.90 4.57 -1.11 0.05 114.58 120.35 2o2p h GLU 470 Ca 0.08 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2o2p h GLU 470 Cb -0.01 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 2o2p h GLU 470 CO -0.04 0.76 0.39 0.00 -1.18 0.00 0.00 179.01 178.95 2o2p h ALA 471 N 1.04 1.31 -0.02 2.92 0.00 -1.02 0.08 119.26 123.57 2o2p h ALA 471 Ca 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2o2p h ALA 471 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2o2p h ALA 471 CO -0.01 0.56 -0.16 0.35 0.00 0.00 0.00 179.25 179.99 2o2p h PHE 472 N 1.03 0.19 0.04 0.00 3.57 -0.92 -2.80 116.94 118.05 2o2p h PHE 472 Ca 0.26 -0.09 -0.25 0.00 3.53 0.00 0.00 57.97 61.41 2o2p h PHE 472 Cb 0.04 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.77 2o2p h PHE 472 CO 0.01 0.83 -1.06 0.93 -2.23 0.00 0.00 178.31 176.79 2o2p h GLU 473 N -0.49 0.51 0.00 1.11 5.08 -0.87 -3.38 114.58 116.53 2o2p h GLU 473 Ca -0.01 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2o2p h GLU 473 Cb 0.85 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2o2p h GLU 473 CO 0.03 1.22 -0.71 0.09 -1.00 0.00 0.00 179.01 178.64 2o2p n ASN 474 N -3.76 3.56 -4.43 1.42 3.02 -0.07 -5.01 115.26 110.00 2o2p n ASN 474 Ca -0.09 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.16 2o2p n ASN 474 Cb 0.89 0.70 0.15 0.00 -0.61 0.00 0.00 39.78 40.91 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 -1.46 1.71 0.41 7.41 0.00 -0.72 -4.97 107.32 109.70 2o2p s GLY 475 Ca 0.00 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 43.84 2o2p s GLY 475 CO 0.00 -0.33 1.99 -2.00 0.00 0.00 0.00 173.10 172.77 2o2p h LEU 476 N -1.41 0.46 -1.23 0.66 5.85 -1.93 -2.92 115.31 114.79 2o2p h LEU 476 Ca -0.45 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2o2p h LEU 476 Cb 1.27 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2o2p h LEU 476 CO 0.49 0.29 0.54 -0.25 -0.34 0.00 0.00 178.44 179.17 2o2p h TRP 477 N 0.52 0.96 -0.00 1.25 2.91 -1.93 -0.58 115.95 119.07 2o2p h TRP 477 Ca 0.26 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.30 2o2p h TRP 477 Cb 0.35 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 2o2p h TRP 477 CO -0.00 0.54 -0.02 0.41 -1.03 0.00 0.00 178.44 178.35 2o2p n GLY 478 N -1.42 -1.34 0.07 2.65 0.00 -1.10 -4.05 105.19 100.01 2o2p n GLY 478 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.35 1.50 -1.22 1.61 5.02 -0.32 -5.04 118.16 118.36 2o2p n LYS 479 Ca 0.12 0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 56.12 2o2p n LYS 479 Cb 0.28 -1.32 0.10 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 3.15 0.58 -0.18 -4.36 -0.65 -4.99 121.20 112.44 2o2p s ILE 480 Ca -0.11 0.37 -0.19 0.00 -0.26 0.00 0.00 60.65 60.46 2o2p s ILE 480 Cb 0.04 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 2o2p s ILE 480 CO 0.47 -0.49 1.22 0.20 0.24 0.00 0.00 174.94 176.58 2o2p s ASN 481 N -3.37 5.26 0.26 4.36 0.01 -1.26 -4.83 114.94 115.37 2o2p s ASN 481 Ca 0.62 2.41 -0.02 0.00 -0.71 0.00 0.00 52.86 55.16 2o2p s ASN 481 Cb -0.18 -2.60 0.53 0.00 0.41 0.00 0.00 41.25 39.42 2o2p s ASN 481 CO 0.56 -1.55 1.73 0.00 -1.51 0.00 0.00 177.10 176.34 2o2p h ALA 482 N 1.01 1.21 -0.80 0.60 0.00 -1.94 -0.44 119.26 118.90 2o2p h ALA 482 Ca -0.50 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.55 2o2p h ALA 482 Cb 1.29 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 2o2p h ALA 482 CO 0.56 -0.19 0.53 -0.09 0.00 0.00 0.00 179.25 180.05 2o2p h ARG 483 N 0.50 0.96 0.03 0.00 2.43 -1.91 -0.90 114.38 115.48 2o2p h ARG 483 Ca 0.46 -0.06 -0.21 0.00 -0.81 0.00 0.00 59.98 59.36 2o2p h ARG 483 Cb 0.72 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2o2p h ARG 483 CO -0.41 0.64 -0.98 -0.44 -1.51 0.00 0.00 179.97 177.26 2o2p h ASP 484 N 0.99 0.18 -0.45 -3.80 3.32 -1.51 -1.27 116.42 113.89 2o2p h ASP 484 Ca 0.32 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 57.23 2o2p h ASP 484 Cb 0.03 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 2o2p h ASP 484 CO -0.09 1.05 0.24 -0.09 -1.72 0.00 0.00 179.24 178.63 2o2p h ARG 485 N 0.06 0.46 -0.38 3.56 2.43 -0.67 -2.11 114.38 117.73 2o2p h ARG 485 Ca -0.05 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2o2p h ARG 485 Cb 1.67 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 31.07 2o2p h ARG 485 CO 0.14 0.30 0.09 0.78 -1.51 0.00 0.00 179.97 179.78 2o2p h GLY 486 N 0.47 0.45 0.49 2.80 0.00 -0.96 -1.72 103.07 104.60 2o2p h GLY 486 Ca 0.19 -0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.57 2o2p h GLY 486 CO -0.12 -0.02 0.35 3.21 0.00 0.00 0.00 176.54 179.96 2o2p h ARG 487 N 0.22 0.58 -0.72 4.80 2.47 -0.98 -0.20 114.38 120.54 2o2p h ARG 487 Ca 0.18 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 2o2p h ARG 487 Cb 0.20 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.36 2o2p h ARG 487 CO -0.22 0.39 0.23 -0.07 0.56 0.00 0.00 179.97 180.86 2o2p h LEU 488 N 0.60 1.04 -0.51 3.04 3.38 -0.92 -0.38 115.31 121.56 2o2p h LEU 488 Ca 0.34 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2o2p h LEU 488 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2o2p h LEU 488 CO -0.26 0.96 -0.53 -0.07 0.09 0.00 0.00 178.44 178.62 2o2p h LEU 489 N 1.07 0.65 -1.06 1.67 3.38 -0.68 0.07 115.31 120.41 2o2p h LEU 489 Ca 0.24 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 2o2p h LEU 489 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2o2p h LEU 489 CO -0.01 1.06 -0.18 0.22 0.09 0.00 0.00 178.44 179.62 2o2p h TYR 490 N 0.46 0.49 -0.33 1.13 3.20 -0.85 -1.75 116.97 119.32 2o2p h TYR 490 Ca 0.01 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 2o2p h TYR 490 Cb 1.08 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2o2p h TYR 490 CO 0.05 0.61 -0.06 -0.09 -1.64 0.00 0.00 178.16 177.03 2o2p h ARG 491 N 0.41 0.63 -0.48 1.82 9.65 -0.77 -2.05 114.38 123.58 2o2p h ARG 491 Ca 0.07 -0.23 0.07 0.00 -1.10 0.00 0.00 59.98 58.79 2o2p h ARG 491 Cb 0.56 -0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.04 2o2p h ARG 491 CO 0.04 0.79 0.15 1.25 2.80 0.00 0.00 179.97 184.99 2o2p h LEU 492 N 0.41 0.12 -0.82 3.80 5.85 -0.78 -0.47 115.31 123.43 2o2p h LEU 492 Ca 0.09 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2o2p h LEU 492 Cb 0.55 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 2o2p h LEU 492 CO 0.03 0.10 0.51 0.00 -0.34 0.00 0.00 178.44 178.74 2o2p h ALA 493 N 1.33 1.11 -0.64 1.25 0.00 -1.23 -0.12 119.26 120.96 2o2p h ALA 493 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2o2p h ALA 493 Cb 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2o2p h ALA 493 CO -0.26 0.27 0.38 -0.44 0.00 0.00 0.00 179.25 179.21 2o2p h ASP 494 N 0.95 0.77 -0.50 0.00 3.45 -0.59 -0.21 116.42 120.29 2o2p h ASP 494 Ca 0.35 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 2o2p h ASP 494 Cb 0.12 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 2o2p h ASP 494 CO -0.15 0.61 0.18 0.58 -1.57 0.00 0.00 179.24 178.89 2o2p h VAL 495 N 0.87 1.22 -0.82 -1.35 2.07 -0.67 -0.44 116.25 117.13 2o2p h VAL 495 Ca 0.23 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.07 2o2p h VAL 495 Cb -0.02 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2o2p h VAL 495 CO -0.04 0.26 0.53 0.24 0.02 0.00 0.00 177.57 178.58 2o2p h MET 496 N 0.67 1.03 -0.83 1.57 2.86 -0.71 -2.01 114.93 117.51 2o2p h MET 496 Ca 0.16 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.71 2o2p h MET 496 Cb 0.23 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2o2p h MET 496 CO -0.01 0.68 0.40 1.49 1.06 0.00 0.00 176.91 180.53 2o2p h GLU 497 N 1.06 1.19 0.00 1.72 4.81 -0.55 -1.47 114.58 121.33 2o2p h GLU 497 Ca 0.32 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2o2p h GLU 497 Cb -0.04 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 2o2p h GLU 497 CO -0.10 0.91 -0.05 1.96 -0.73 0.00 0.00 179.01 181.00 2o2p h GLN 498 N 1.17 0.00 -0.30 1.92 4.20 -0.46 -2.53 115.11 119.10 2o2p h GLN 498 Ca 0.28 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.94 2o2p h GLN 498 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2o2p h GLN 498 CO -0.04 0.05 0.00 0.72 -0.67 0.00 0.00 178.83 178.90 2o2p n HIS 499 N -3.57 1.05 -0.17 2.96 8.25 -0.63 -4.82 115.22 118.29 2o2p n HIS 499 Ca -0.02 -1.07 -0.09 0.00 -0.26 0.00 0.00 57.72 56.28 2o2p n HIS 499 Cb 0.16 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 30.95 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 1.60 0.99 -0.42 -0.41 3.07 -0.90 -0.05 115.11 118.99 2o2p h GLN 500 Ca 0.07 -0.33 -0.09 0.00 0.09 0.00 0.00 58.65 58.39 2o2p h GLN 500 Cb 1.54 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 29.01 2o2p h GLN 500 CO 0.29 1.01 -0.08 0.93 0.09 0.00 0.00 178.83 181.07 2o2p h GLU 501 N 0.89 0.81 -0.29 0.06 3.07 -1.87 -1.03 114.58 116.21 2o2p h GLU 501 Ca 0.15 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.70 2o2p h GLU 501 Cb 0.61 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2o2p h GLU 501 CO 0.04 0.92 0.15 1.49 -1.40 0.00 0.00 179.01 180.21 2o2p h GLU 502 N 0.63 0.41 -0.58 2.33 4.81 -1.87 -0.50 114.58 119.81 2o2p h GLU 502 Ca 0.11 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2o2p h GLU 502 Cb 0.61 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 2o2p h GLU 502 CO 0.04 0.37 0.32 -0.07 -0.73 0.00 0.00 179.01 178.94 2o2p h LEU 503 N 0.34 0.73 -0.94 1.64 3.38 -0.89 -0.75 115.31 118.82 2o2p h LEU 503 Ca 0.10 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2o2p h LEU 503 Cb 0.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2o2p h LEU 503 CO -0.01 0.61 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 2o2p h ALA 504 N 1.15 1.11 -0.42 1.53 0.00 -1.07 -1.02 119.26 120.53 2o2p h ALA 504 Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2o2p h ALA 504 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2o2p h ALA 504 CO -0.03 0.56 0.01 1.15 0.00 0.00 0.00 179.25 180.94 2o2p h THR 505 N 0.68 1.26 -0.71 0.00 2.02 -0.68 -0.90 112.91 114.58 2o2p h THR 505 Ca 0.13 -1.01 0.01 0.00 0.77 0.00 0.00 66.41 66.31 2o2p h THR 505 Cb 0.48 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 2o2p h THR 505 CO 0.02 0.34 0.47 0.40 0.37 0.00 0.00 175.52 177.13 2o2p h ILE 506 N 0.58 1.18 -0.34 3.11 2.04 -0.87 -1.04 117.51 122.17 2o2p h ILE 506 Ca 0.12 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.55 2o2p h ILE 506 Cb 0.47 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 2o2p h ILE 506 CO 0.02 0.18 -0.19 -0.08 0.00 0.00 0.00 178.15 178.07 2o2p h GLU 507 N 0.96 0.63 -0.43 2.37 4.57 -1.04 0.21 114.58 121.86 2o2p h GLU 507 Ca 0.26 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2o2p h GLU 507 Cb -0.10 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 2o2p h GLU 507 CO -0.06 0.79 0.27 0.00 -1.18 0.00 0.00 179.01 178.83 2o2p h ALA 508 N 1.23 0.55 -0.41 2.92 0.00 -0.66 -0.23 119.26 122.66 2o2p h ALA 508 Ca 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2o2p h ALA 508 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2o2p h ALA 508 CO 0.05 0.02 -0.05 -0.07 0.00 0.00 0.00 179.25 179.19 2o2p h LEU 509 N 0.57 0.75 0.05 0.00 3.38 -0.80 -1.56 115.31 117.71 2o2p h LEU 509 Ca 0.16 -0.34 -0.29 0.00 0.09 0.00 0.00 57.88 57.50 2o2p h LEU 509 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2o2p h LEU 509 CO -0.03 0.91 -1.56 -0.78 0.09 0.00 0.00 178.44 177.07 2o2p h ASP 510 N 0.58 0.17 -0.00 -0.43 3.58 -0.90 -3.37 116.42 116.04 2o2p h ASP 510 Ca 0.11 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2o2p h ASP 510 Cb 0.55 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2o2p h ASP 510 CO 0.03 1.23 -0.14 0.00 -2.88 0.00 0.00 179.24 177.48 2o2p n ALA 511 N -2.60 2.48 -1.08 -0.78 0.00 -0.10 -4.75 120.51 113.67 2o2p n ALA 511 Ca -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.09 2o2p n ALA 511 Cb 1.03 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 20.33 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 0.95 0.60 3.70 0.00 0.00 -0.59 -4.29 105.19 105.57 2o2p n GLY 512 Ca 0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.01 3.61 0.13 4.61 0.00 -1.21 -4.11 121.76 122.78 2o2p s ALA 513 Ca 0.00 1.06 -0.33 0.00 0.00 0.00 0.00 51.96 52.69 2o2p s ALA 513 Cb 0.00 -3.58 -0.13 0.00 0.00 0.00 0.00 23.12 19.41 2o2p s ALA 513 CO 0.00 -0.79 1.70 0.28 0.00 0.00 0.00 175.76 176.94 2o2p n VAL 514 N 4.31 0.15 -0.16 0.00 0.31 -1.26 -3.92 118.33 117.75 2o2p n VAL 514 Ca 0.13 -0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 2o2p n VAL 514 Cb 0.42 -1.79 0.07 0.00 -0.91 0.00 0.00 33.84 31.63 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 7.03 0.28 -0.91 3.52 3.20 -1.24 0.26 116.97 129.11 2o2p h TYR 515 Ca -0.45 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.51 2o2p h TYR 515 Cb 1.24 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.40 2o2p h TYR 515 CO 0.69 0.08 0.59 1.79 -1.64 0.00 0.00 178.16 179.67 2o2p h THR 516 N 0.33 1.06 -0.14 1.81 1.35 -1.89 0.64 112.91 116.06 2o2p h THR 516 Ca 0.25 -0.35 -0.19 0.00 -0.55 0.00 0.00 66.41 65.57 2o2p h THR 516 Cb 0.29 -0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.66 2o2p h THR 516 CO -0.27 0.19 -0.66 0.25 -0.25 0.00 0.00 175.52 174.78 2o2p h LEU 517 N 1.02 0.82 -1.26 3.87 5.85 -1.57 -2.78 115.31 121.27 2o2p h LEU 517 Ca 0.39 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2o2p h LEU 517 Cb 0.22 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2o2p h LEU 517 CO -0.15 1.32 0.37 0.00 -0.34 0.00 0.00 178.44 179.63 2o2p h ALA 518 N 0.53 1.44 -0.09 1.25 0.00 0.03 0.44 119.26 122.86 2o2p h ALA 518 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2o2p h ALA 518 Cb 1.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2o2p h ALA 518 CO 0.14 0.47 -0.05 1.25 0.00 0.00 0.00 179.25 181.06 2o2p h LEU 519 N 0.89 0.20 -0.07 0.00 5.85 -0.89 0.24 115.31 121.52 2o2p h LEU 519 Ca 0.23 -0.43 -0.19 0.00 0.84 0.00 0.00 57.88 58.32 2o2p h LEU 519 Cb -0.01 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 40.98 2o2p h LEU 519 CO -0.04 0.59 -0.71 0.50 -0.34 0.00 0.00 178.44 178.44 2o2p h LYS 520 N -0.19 0.61 0.00 1.25 3.64 -1.23 -1.66 116.57 118.99 2o2p h LYS 520 Ca 0.02 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2o2p h LYS 520 Cb 0.52 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2o2p h LYS 520 CO 0.02 1.18 -0.14 2.41 -2.27 0.00 0.00 179.45 180.65 2o2p n THR 521 N -4.07 0.25 -0.11 1.00 -1.04 0.15 -3.50 114.28 106.95 2o2p n THR 521 Ca -0.09 0.36 -0.05 0.00 -2.04 0.00 0.00 64.05 62.23 2o2p n THR 521 Cb 0.72 -1.53 0.01 0.00 -1.82 0.00 0.00 70.33 67.71 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 -0.14 -0.23 0.02 -1.42 3.86 -1.47 -0.53 115.15 115.24 2o2p h HIS 522 Ca 0.00 0.04 -0.23 0.00 -1.16 0.00 0.00 60.37 59.01 2o2p h HIS 522 Cb 0.14 0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 2o2p h HIS 522 CO -0.06 -0.18 -1.25 0.28 0.86 0.00 0.00 177.93 177.58 2o2p h VAL 523 N -0.01 0.95 -0.47 2.45 2.07 -0.70 -3.28 116.25 117.26 2o2p h VAL 523 Ca 0.19 -2.22 0.08 0.00 0.82 0.00 0.00 66.70 65.57 2o2p h VAL 523 Cb 0.30 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 2o2p h VAL 523 CO -0.41 0.41 0.04 1.23 0.02 0.00 0.00 177.57 178.87 2o2p h GLY 524 N -0.74 0.52 2.00 2.17 0.00 -1.31 -1.11 103.07 104.60 2o2p h GLY 524 Ca -0.33 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2o2p h GLY 524 CO -0.15 -0.10 -0.54 1.98 0.00 0.00 0.00 176.54 177.73 2o2p h MET 525 N 0.16 0.00 -0.66 4.80 4.05 -1.13 -2.14 114.93 120.02 2o2p h MET 525 Ca 0.23 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2o2p h MET 525 Cb 0.33 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2o2p h MET 525 CO -0.35 0.54 0.40 0.77 0.23 0.00 0.00 176.91 178.49 2o2p h SER 526 N 0.00 0.79 -0.26 1.39 0.02 -1.34 0.11 113.55 114.26 2o2p h SER 526 Ca -0.01 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 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 0.62 0.07 0.40 -1.14 0.00 0.00 176.83 176.85 2o2p h ILE 527 N 0.89 1.20 -0.93 3.27 2.04 -1.05 -2.16 117.51 120.77 2o2p h ILE 527 Ca 0.24 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2o2p h ILE 527 Cb -0.03 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2o2p h ILE 527 CO -0.04 0.21 0.60 1.56 0.00 0.00 0.00 178.15 180.48 2o2p h GLN 528 N 0.24 0.97 0.01 2.37 4.20 -1.08 -1.59 115.11 120.23 2o2p h GLN 528 Ca 0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 2o2p h GLN 528 Cb 0.25 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2o2p h GLN 528 CO -0.00 0.64 -0.00 1.15 -0.67 0.00 0.00 178.83 179.95 2o2p h THR 529 N 1.00 1.13 -0.78 -0.54 2.02 -0.36 0.25 112.91 115.62 2o2p h THR 529 Ca 0.42 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 2o2p h THR 529 Cb 0.30 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 2o2p h THR 529 CO -0.18 0.11 0.34 -0.26 0.37 0.00 0.00 175.52 175.90 2o2p h PHE 530 N -0.19 1.17 -0.60 3.16 -1.00 -1.19 -1.52 116.94 116.77 2o2p h PHE 530 Ca -0.00 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.62 2o2p h PHE 530 Cb 0.18 -0.35 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 2o2p h PHE 530 CO -0.02 0.87 0.03 0.00 -1.61 0.00 0.00 178.31 177.59 2o2p h ARG 531 N 1.13 1.02 0.31 1.51 3.08 -1.15 -0.40 114.38 119.88 2o2p h ARG 531 Ca 0.26 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2o2p h ARG 531 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2o2p h ARG 531 CO -0.03 0.98 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.79 2o2p h TYR 532 N 0.94 -0.38 -0.02 3.04 3.20 -0.67 -2.84 116.97 120.24 2o2p h TYR 532 Ca 0.18 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 2o2p h TYR 532 Cb 0.50 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2o2p h TYR 532 CO 0.03 -0.16 -0.44 0.74 -1.64 0.00 0.00 178.16 176.69 2o2p h PHE 533 N -0.54 0.04 -0.98 -3.82 0.04 -1.27 -2.23 116.94 108.19 2o2p h PHE 533 Ca -0.04 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 2o2p h PHE 533 Cb 0.40 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.46 2o2p h PHE 533 CO -0.02 0.47 0.61 0.00 -0.60 0.00 0.00 178.31 178.77 2o2p h ALA 534 N 1.53 1.45 0.00 2.45 0.00 -1.00 -0.42 119.26 123.26 2o2p h ALA 534 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 534 Cb 0.80 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2o2p h ALA 534 CO 0.06 0.23 -0.13 0.78 0.00 0.00 0.00 179.25 180.19 2o2p h GLY 535 N 0.98 0.00 2.00 0.00 0.00 -1.15 -2.91 103.07 101.99 2o2p h GLY 535 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.77 2o2p h GLY 535 CO -0.25 0.00 -0.15 1.49 0.00 0.00 0.00 176.54 177.62 2o2p h TRP 536 N 0.00 0.00 -0.33 5.60 4.06 -1.03 -3.39 115.95 120.85 2o2p h TRP 536 Ca -0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2o2p h TRP 536 Cb 0.34 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.43 2o2p h TRP 536 CO 0.00 0.15 -0.09 0.00 -3.56 0.00 0.00 178.44 174.95 2o2p n ASP 538 N -5.27 4.20 0.00 0.00 5.75 -1.26 -3.69 116.55 116.27 2o2p n ASP 538 Ca 0.01 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 2o2p n ASP 538 Cb 0.19 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 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 0.85 -2.62 0.11 5.02 0.01 -4.97 118.16 117.10 2o2p n LYS 539 Ca 0.20 -0.87 -0.43 0.00 -2.02 0.00 0.00 58.31 55.19 2o2p n LYS 539 Cb 0.87 -0.91 -0.02 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.42 4.50 0.00 -0.18 1.01 -0.88 -5.02 121.20 120.20 2o2p s ILE 540 Ca 0.00 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.42 2o2p s ILE 540 Cb 0.00 -4.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2o2p s ILE 540 CO 0.00 -0.45 -0.14 -1.10 0.00 0.00 0.00 174.94 173.25 2o2p s GLN 541 N 3.65 1.05 0.00 2.79 -0.21 -1.26 -4.96 119.66 120.72 2o2p s GLN 541 Ca 0.46 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.29 2o2p s GLN 541 Cb -0.13 -1.03 0.00 0.00 1.00 0.00 0.00 33.01 32.85 2o2p s GLN 541 CO 0.15 0.28 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 2o2p n GLY 542 N 2.54 0.41 3.31 3.09 0.00 -1.26 -4.86 105.19 108.42 2o2p n GLY 542 Ca -0.15 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.13 1.79 -0.06 4.61 0.00 -1.21 -4.93 121.76 118.82 2o2p s ALA 543 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 50.42 2o2p s ALA 543 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2o2p s ALA 543 CO 0.00 -0.01 -0.25 0.95 0.00 0.00 0.00 175.76 176.45 2o2p s THR 544 N -3.13 2.04 -0.08 0.00 -4.23 -1.26 -0.60 115.64 108.38 2o2p s THR 544 Ca 0.20 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2o2p s THR 544 Cb 0.01 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 72.13 2o2p s THR 544 CO 0.04 0.57 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.92 2o2p s ILE 545 N -0.17 1.35 -1.44 2.99 1.01 -0.25 -5.01 121.20 119.68 2o2p s ILE 545 Ca -0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.90 2o2p s ILE 545 Cb -0.14 -1.22 0.06 0.00 0.01 0.00 0.00 42.46 41.17 2o2p s ILE 545 CO 0.04 0.40 2.22 -0.81 0.00 0.00 0.00 174.94 176.79 2o2p n PRO 546 N 3.87 3.09 -1.25 2.79 -0.04 -1.26 -4.13 135.00 138.07 2o2p n PRO 546 Ca -0.21 -2.76 -0.31 0.00 -0.04 0.00 0.00 63.50 60.18 2o2p n PRO 546 Cb 0.52 -3.17 0.09 0.00 -0.04 0.00 0.00 33.50 30.90 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 2.51 3.30 0.34 0.52 -0.00 -1.26 -4.99 121.20 121.63 2o2p s ILE 547 Ca 0.47 0.42 -0.29 0.00 -0.00 0.00 0.00 60.65 61.26 2o2p s ILE 547 Cb 0.14 -2.91 -0.11 0.00 -0.00 0.00 0.00 42.46 39.58 2o2p s ILE 547 CO -0.07 -0.55 1.54 0.20 -0.00 0.00 0.00 174.94 176.05 2o2p s ASN 548 N -3.39 6.34 -0.08 4.36 0.02 -1.26 -4.97 114.94 115.96 2o2p s ASN 548 Ca 0.61 3.02 -0.16 0.00 -1.02 0.00 0.00 52.86 55.31 2o2p s ASN 548 Cb -0.17 -2.66 -0.05 0.00 0.02 0.00 0.00 41.25 38.40 2o2p s ASN 548 CO 0.56 -0.90 0.43 -1.10 0.02 0.00 0.00 177.10 176.11 2o2p s GLN 549 N -1.44 4.19 -1.31 -0.60 -1.52 -1.26 -4.87 119.66 112.85 2o2p s GLN 549 Ca 0.57 0.39 -0.16 0.00 -1.95 0.00 0.00 55.36 54.22 2o2p s GLN 549 Cb -0.47 -3.36 -0.00 0.00 -0.22 0.00 0.00 33.01 28.95 2o2p s GLN 549 CO 0.57 0.35 2.16 0.00 -0.25 0.00 0.00 175.29 178.12 2o2p n ALA 550 N 3.02 5.04 -1.76 6.09 0.00 -1.26 -4.96 120.51 126.68 2o2p n ALA 550 Ca -0.10 -3.76 -0.39 0.00 0.00 0.00 0.00 53.44 49.19 2o2p n ALA 550 Cb 0.52 -3.56 0.03 0.00 0.00 0.00 0.00 19.45 16.44 2o2p n ALA 550 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2o2p s ARG 551 N 3.61 3.39 0.00 0.00 1.81 -1.26 -0.62 118.95 125.88 2o2p s ARG 551 Ca 0.49 2.30 0.15 0.00 -1.72 0.00 0.00 55.73 56.95 2o2p s ARG 551 Cb 0.14 -2.43 0.88 0.00 -0.45 0.00 0.00 34.95 33.09 2o2p s ARG 551 CO -0.04 -1.02 1.47 -0.35 -0.68 0.00 0.00 175.30 174.68 2o2p n PRO 552 N -0.66 0.87 -2.35 3.54 -0.04 -1.26 -5.06 135.00 130.04 2o2p n PRO 552 Ca 0.08 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.29 2o2p n PRO 552 Cb 0.44 -1.27 0.11 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.59 4.24 0.27 3.54 0.01 0.21 -5.11 114.94 116.51 2o2p s ASN 553 Ca 0.22 0.00 0.11 0.00 -0.71 0.00 0.00 52.86 52.49 2o2p s ASN 553 Cb 0.10 -0.41 -0.05 0.00 0.41 0.00 0.00 41.25 41.30 2o2p s ASN 553 CO 0.17 -1.95 -0.14 -0.13 -1.51 0.00 0.00 177.10 173.54 2o2p s ARG 554 N -5.31 1.86 0.03 -0.60 0.52 0.02 -4.00 118.95 111.47 2o2p s ARG 554 Ca 0.66 -1.66 0.03 0.00 -0.52 0.00 0.00 55.73 54.24 2o2p s ARG 554 Cb -0.07 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.50 2o2p s ARG 554 CO 0.46 0.34 -0.10 -0.80 0.02 0.00 0.00 175.30 175.22 2o2p s ASN 555 N -3.54 1.17 -0.08 0.23 -0.87 -1.26 -0.82 114.94 109.76 2o2p s ASN 555 Ca 0.30 -0.43 0.03 0.00 -1.57 0.00 0.00 52.86 51.19 2o2p s ASN 555 Cb -0.05 -0.05 0.01 0.00 -0.02 0.00 0.00 41.25 41.14 2o2p s ASN 555 CO 0.16 -0.05 -0.17 -0.22 -2.57 0.00 0.00 177.10 174.26 2o2p s LEU 556 N -1.13 1.81 -0.09 0.60 2.96 -0.77 -4.92 118.68 117.15 2o2p s LEU 556 Ca -0.03 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 2o2p s LEU 556 Cb -0.08 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.56 2o2p s LEU 556 CO 0.01 0.08 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.04 2o2p s THR 557 N 0.58 1.66 0.19 3.68 2.01 -1.26 -0.18 115.64 122.32 2o2p s THR 557 Ca -0.15 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.09 2o2p s THR 557 Cb -0.16 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2o2p s THR 557 CO 0.05 0.47 -0.01 -1.48 -0.69 0.00 0.00 174.62 172.96 2o2p s LEU 558 N 0.50 2.19 0.11 4.42 0.05 -0.13 -1.09 118.68 124.72 2o2p s LEU 558 Ca -0.17 -1.17 0.10 0.00 0.05 0.00 0.00 54.13 52.94 2o2p s LEU 558 Cb -0.17 -0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 43.77 2o2p s LEU 558 CO 0.06 -0.52 -0.26 0.42 -0.55 0.00 0.00 176.35 175.50 2o2p s THR 559 N -3.53 2.26 -0.11 5.48 -4.23 0.23 -0.41 115.64 115.33 2o2p s THR 559 Ca 0.25 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 2o2p s THR 559 Cb 0.05 -1.97 -0.01 0.00 1.34 0.00 0.00 72.50 71.91 2o2p s THR 559 CO 0.05 0.16 -0.18 -0.75 -0.54 0.00 0.00 174.62 173.37 2o2p s LYS 560 N -1.85 3.11 -0.16 3.99 2.20 0.09 -3.33 119.74 123.78 2o2p s LYS 560 Ca 0.14 -0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 54.75 2o2p s LYS 560 Cb -0.10 -2.46 -0.02 0.00 -1.51 0.00 0.00 37.83 33.74 2o2p s LYS 560 CO 0.05 0.26 0.73 0.15 -0.36 0.00 0.00 175.35 176.18 2o2p s LYS 561 N 0.19 4.28 0.16 4.03 -0.14 -1.26 -0.70 119.74 126.30 2o2p s LYS 561 Ca -0.11 0.83 0.08 0.00 -1.36 0.00 0.00 55.97 55.41 2o2p s LYS 561 Cb -0.16 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 2o2p s LYS 561 CO 0.06 -0.23 -0.18 -1.21 -0.76 0.00 0.00 175.35 173.04 2o2p s GLU 562 N 1.83 1.24 0.74 1.68 2.02 -0.13 -4.97 118.70 121.11 2o2p s GLU 562 Ca 0.34 -1.39 -0.14 0.00 0.02 0.00 0.00 54.97 53.81 2o2p s GLU 562 Cb -0.16 -1.28 0.05 0.00 0.10 0.00 0.00 34.13 32.83 2o2p s GLU 562 CO 0.12 0.26 1.16 -2.14 0.02 0.00 0.00 175.26 174.68 2o2p s PRO 563 N -2.78 2.17 0.11 0.39 0.02 -1.25 -0.41 135.00 133.24 2o2p s PRO 563 Ca 0.15 1.57 0.07 0.00 0.02 0.00 0.00 61.00 62.80 2o2p s PRO 563 Cb -0.06 -1.86 -0.22 0.00 0.02 0.00 0.00 34.50 32.39 2o2p s PRO 563 CO 0.06 -1.77 1.24 -0.39 -0.33 0.00 0.00 177.00 175.80 2o2p h VAL 564 N -0.52 1.66 0.00 3.83 -1.51 -1.85 -3.41 116.25 114.45 2o2p h VAL 564 Ca -0.46 -3.37 0.00 0.00 -1.23 0.00 0.00 66.70 61.64 2o2p h VAL 564 Cb 1.27 2.83 0.00 0.00 -2.13 0.00 0.00 31.29 33.26 2o2p h VAL 564 CO 0.50 0.95 0.00 0.61 -1.23 0.00 0.00 177.57 178.40 2o2p n GLY 565 N 1.37 0.03 3.69 5.19 0.00 -1.26 -4.85 105.19 109.37 2o2p n GLY 565 Ca -0.01 -1.76 -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 -0.06 4.33 0.07 1.61 1.01 -1.26 -3.12 120.40 122.98 2o2p s VAL 566 Ca 0.00 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.70 2o2p s VAL 566 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2o2p s VAL 566 CO 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 175.10 174.96 2o2p s GLY 568 N -1.76 1.67 -0.04 0.00 0.00 -0.06 -1.02 107.32 106.10 2o2p s GLY 568 Ca 0.17 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2o2p s GLY 568 CO 0.08 -0.41 -0.11 -0.26 0.00 0.00 0.00 173.10 172.41 2o2p s ILE 569 N -0.25 0.98 -0.20 0.90 -4.36 -0.16 -1.03 121.20 117.10 2o2p s ILE 569 Ca 0.03 -0.44 -0.02 0.00 -0.26 0.00 0.00 60.65 59.96 2o2p s ILE 569 Cb -0.13 -0.88 -0.00 0.00 1.25 0.00 0.00 42.46 42.70 2o2p s ILE 569 CO 0.03 0.31 -0.10 -0.69 0.24 0.00 0.00 174.94 174.72 2o2p s VAL 570 N 0.36 2.95 -0.13 8.37 1.01 -0.15 -0.46 120.40 132.35 2o2p s VAL 570 Ca -0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2o2p s VAL 570 Cb -0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2o2p s VAL 570 CO 0.02 0.47 -0.06 -0.63 0.00 0.00 0.00 175.10 174.90 2o2p s ILE 571 N 1.26 3.73 0.96 2.22 -1.09 -0.20 -2.68 121.20 125.39 2o2p s ILE 571 Ca 0.03 -0.43 -0.15 0.00 -2.23 0.00 0.00 60.65 57.87 2o2p s ILE 571 Cb -0.14 -2.59 0.18 0.00 -1.58 0.00 0.00 42.46 38.33 2o2p s ILE 571 CO -0.05 0.53 1.24 -2.16 -1.23 0.00 0.00 174.94 173.27 2o2p s PRO 572 N 0.01 0.70 0.00 2.79 0.04 -1.25 -2.10 135.00 135.18 2o2p s PRO 572 Ca -0.00 -0.17 0.24 0.00 0.04 0.00 0.00 61.00 61.12 2o2p s PRO 572 Cb -0.14 -1.83 0.38 0.00 0.04 0.00 0.00 34.50 32.95 2o2p s PRO 572 CO 0.03 -2.41 1.33 -2.67 0.04 0.00 0.00 177.00 173.31 2o2p n TRP 573 N -3.82 0.00 -0.05 0.56 4.27 -1.26 -4.28 117.44 112.85 2o2p n TRP 573 Ca 0.12 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.59 2o2p n TRP 573 Cb 0.60 -0.07 -0.07 0.00 -1.36 0.00 0.00 31.31 30.41 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 1.65 0.64 -2.75 -0.67 -1.07 -1.95 -3.36 115.58 108.08 2o2p h ASN 574 Ca 0.00 -0.57 -0.60 0.00 0.07 0.00 0.00 56.30 55.20 2o2p h ASN 574 Cb 0.61 -0.19 -0.40 0.00 -2.07 0.00 0.00 38.32 36.28 2o2p h ASN 574 CO 0.00 1.09 -0.80 -0.31 0.07 0.00 0.00 177.43 177.48 2o2p s TYR 575 N -3.97 2.08 0.12 4.14 1.51 -1.26 -4.97 117.35 114.99 2o2p s TYR 575 Ca -0.13 -2.69 -0.27 0.00 -1.01 0.00 0.00 57.07 52.97 2o2p s TYR 575 Cb 0.07 -1.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 2o2p s TYR 575 CO 0.82 -0.72 1.62 -1.35 -1.11 0.00 0.00 175.55 174.81 2o2p h PRO 576 N 5.70 -0.48 -0.27 -1.71 0.11 -1.75 -0.05 132.00 133.55 2o2p h PRO 576 Ca 0.19 0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.17 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 0.51 -0.32 -0.48 1.25 -0.21 0.00 0.00 178.00 178.75 2o2p h LEU 577 N -0.50 0.80 -0.17 2.35 5.85 -1.92 -2.38 115.31 119.36 2o2p h LEU 577 Ca 0.04 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 2o2p h LEU 577 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2o2p h LEU 577 CO -0.21 1.15 0.01 -0.03 -0.34 0.00 0.00 178.44 179.02 2o2p h MET 578 N 0.58 0.29 -0.37 1.25 4.05 -1.59 0.12 114.93 119.26 2o2p h MET 578 Ca 0.03 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 2o2p h MET 578 Cb 1.05 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.80 2o2p h MET 578 CO 0.10 0.50 -0.17 0.52 0.23 0.00 0.00 176.91 178.09 2o2p h MET 579 N 0.05 0.69 -0.43 0.39 2.86 -1.07 -0.31 114.93 117.10 2o2p h MET 579 Ca 0.05 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2o2p h MET 579 Cb 0.36 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2o2p h MET 579 CO 0.01 0.82 0.21 1.25 1.06 0.00 0.00 176.91 180.25 2o2p h LEU 580 N 0.62 0.29 -0.39 1.22 6.46 -1.22 -3.04 115.31 119.25 2o2p h LEU 580 Ca 0.10 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.83 2o2p h LEU 580 Cb 0.63 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 2o2p h LEU 580 CO 0.04 0.21 0.05 0.28 -0.62 0.00 0.00 178.44 178.40 2o2p h SER 581 N 0.42 0.64 -0.33 1.25 0.02 -0.09 0.36 113.55 115.82 2o2p h SER 581 Ca 0.19 -0.27 0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2o2p h SER 581 Cb 0.10 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.39 2o2p h SER 581 CO -0.14 0.76 -0.39 -0.50 -1.14 0.00 0.00 176.83 175.42 2o2p h TRP 582 N 0.51 -1.11 0.03 3.45 4.06 -1.01 -0.01 115.95 121.87 2o2p h TRP 582 Ca 0.12 0.06 -0.25 0.00 2.06 0.00 0.00 58.89 60.87 2o2p h TRP 582 Cb 0.40 0.53 0.02 0.00 -1.00 0.00 0.00 29.16 29.11 2o2p h TRP 582 CO 0.03 -0.43 -1.00 0.87 -3.56 0.00 0.00 178.44 174.35 2o2p h LYS 583 N -0.34 0.63 -0.44 0.49 1.57 -1.41 -3.17 116.57 113.89 2o2p h LYS 583 Ca 0.13 -0.72 -0.09 0.00 -1.87 0.00 0.00 60.65 58.11 2o2p h LYS 583 Cb 0.58 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2o2p h LYS 583 CO -0.51 1.30 -0.07 1.15 -0.57 0.00 0.00 179.45 180.75 2o2p h THR 584 N 0.26 1.27 -0.48 -0.16 2.02 -0.81 -1.25 112.91 113.76 2o2p h THR 584 Ca -0.13 -1.17 -0.04 0.00 0.77 0.00 0.00 66.41 65.84 2o2p h THR 584 Cb 1.68 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 2o2p h THR 584 CO 0.20 0.40 0.13 0.00 0.37 0.00 0.00 175.52 176.62 2o2p h ALA 585 N 0.88 0.63 -0.43 6.16 0.00 -1.07 0.68 119.26 126.12 2o2p h ALA 585 Ca 0.12 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2o2p h ALA 585 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2o2p h ALA 585 CO 0.04 0.31 -0.12 0.00 0.00 0.00 0.00 179.25 179.48 2o2p h ALA 586 N 1.00 0.59 0.20 0.00 0.00 -1.51 0.18 119.26 119.71 2o2p h ALA 586 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2o2p h ALA 586 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2o2p h ALA 586 CO -0.00 0.49 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 2o2p h LEU 588 N -0.36 0.69 -1.66 0.00 3.38 -0.84 -2.79 115.31 113.73 2o2p h LEU 588 Ca -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2o2p h LEU 588 Cb 0.32 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2o2p h LEU 588 CO -0.01 0.95 0.10 0.00 0.09 0.00 0.00 178.44 179.56 2o2p h ALA 589 N 1.10 1.74 0.00 1.53 0.00 -0.76 -0.70 119.26 122.18 2o2p h ALA 589 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2o2p h ALA 589 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2o2p h ALA 589 CO 0.07 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2o2p n ALA 590 N -2.50 2.49 -0.24 0.00 0.00 -0.87 -4.56 120.51 114.83 2o2p n ALA 590 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2o2p n ALA 590 Cb 0.12 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.02 0.87 3.94 0.00 0.00 -0.27 -3.96 105.19 106.80 2o2p n GLY 591 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.06 4.43 0.32 1.61 0.01 -1.07 -4.85 114.94 113.33 2o2p s ASN 592 Ca 0.00 0.24 0.10 0.00 -0.71 0.00 0.00 52.86 52.49 2o2p s ASN 592 Cb 0.00 -0.73 -0.06 0.00 0.41 0.00 0.00 41.25 40.87 2o2p s ASN 592 CO 0.00 -1.84 -0.14 0.42 -1.51 0.00 0.00 177.10 174.03 2o2p s THR 593 N -3.33 2.33 -0.01 1.60 -4.23 -1.18 -4.55 115.64 106.26 2o2p s THR 593 Ca 0.64 -2.28 -0.05 0.00 -1.18 0.00 0.00 61.69 58.82 2o2p s THR 593 Cb -0.08 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2o2p s THR 593 CO 0.46 -0.28 0.10 0.54 -0.54 0.00 0.00 174.62 174.90 2o2p s VAL 594 N -2.58 0.06 -0.19 2.29 0.11 0.26 -1.04 120.40 119.30 2o2p s VAL 594 Ca 0.31 -0.46 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2o2p s VAL 594 Cb -0.00 -0.30 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2o2p s VAL 594 CO 0.16 -0.25 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.87 2o2p s VAL 595 N -0.83 2.80 -0.17 2.04 1.01 -0.19 -1.73 120.40 123.33 2o2p s VAL 595 Ca -0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 2o2p s VAL 595 Cb -0.05 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2o2p s VAL 595 CO 0.01 0.48 0.02 -0.63 0.00 0.00 0.00 175.10 174.98 2o2p s ILE 596 N 1.26 4.40 -0.45 2.22 1.01 0.73 -0.98 121.20 129.39 2o2p s ILE 596 Ca 0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 2o2p s ILE 596 Cb -0.14 -2.96 0.12 0.00 0.01 0.00 0.00 42.46 39.49 2o2p s ILE 596 CO -0.06 0.47 0.28 -0.75 0.00 0.00 0.00 174.94 174.89 2o2p s LYS 597 N 0.37 2.24 0.62 2.79 2.47 0.39 -0.79 119.74 127.84 2o2p s LYS 597 Ca -0.00 -1.83 -0.14 0.00 -1.56 0.00 0.00 55.97 52.44 2o2p s LYS 597 Cb -0.13 -3.75 -0.03 0.00 -1.46 0.00 0.00 37.83 32.46 2o2p s LYS 597 CO 0.01 -1.13 1.05 -1.25 0.16 0.00 0.00 175.35 174.19 2o2p s PRO 598 N 1.19 3.29 0.47 4.03 0.04 -1.26 -1.03 135.00 141.73 2o2p s PRO 598 Ca 0.08 1.03 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 2o2p s PRO 598 Cb -0.24 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 2o2p s PRO 598 CO -0.03 -0.82 1.14 0.00 0.04 0.00 0.00 177.00 177.34 2o2p n ALA 599 N -2.44 0.77 -0.36 8.56 0.00 -0.89 -4.59 120.51 121.56 2o2p n ALA 599 Ca 0.08 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.75 2o2p n ALA 599 Cb 0.53 -2.19 0.21 0.00 0.00 0.00 0.00 19.45 18.00 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 1.52 1.03 0.00 0.00 4.15 -1.91 -1.67 115.11 118.23 2o2p h GLN 600 Ca -0.47 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2o2p h GLN 600 Cb 1.32 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.78 2o2p h GLN 600 CO 0.57 0.68 0.00 1.33 -1.93 0.00 0.00 178.83 179.48 2o2p n VAL 601 N -4.58 0.61 -3.20 2.39 0.24 -1.26 -4.23 118.33 108.30 2o2p n VAL 601 Ca 0.17 0.06 -0.23 0.00 -2.04 0.00 0.00 64.34 62.30 2o2p n VAL 601 Cb 0.27 -0.82 -0.06 0.00 -1.47 0.00 0.00 33.84 31.77 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 -1.87 -0.13 0.16 3.34 -2.24 -0.63 -4.73 114.28 108.18 2o2p n THR 602 Ca 0.04 -4.34 0.10 0.00 -2.27 0.00 0.00 64.05 57.59 2o2p n THR 602 Cb 0.29 -1.48 0.09 0.00 -2.10 0.00 0.00 70.33 67.12 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 3.70 0.00 -0.30 -0.78 0.13 -1.73 -3.40 132.00 129.62 2o2p h PRO 603 Ca 0.09 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 2o2p h PRO 603 Cb 0.87 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.00 2o2p h PRO 603 CO 0.52 0.06 -0.35 -0.07 -0.23 0.00 0.00 178.00 177.93 2o2p h LEU 604 N 0.00 0.82 -0.94 1.56 3.38 -1.92 -2.38 115.31 115.83 2o2p h LEU 604 Ca -0.01 -0.49 -0.11 0.00 0.09 0.00 0.00 57.88 57.36 2o2p h LEU 604 Cb 1.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2o2p h LEU 604 CO 0.01 1.14 -0.52 0.71 0.09 0.00 0.00 178.44 179.87 2o2p h THR 605 N 0.51 1.37 -0.50 0.22 1.35 -1.89 -1.72 112.91 112.26 2o2p h THR 605 Ca 0.04 -1.79 0.01 0.00 -0.55 0.00 0.00 66.41 64.12 2o2p h THR 605 Cb 0.93 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 2o2p h THR 605 CO 0.08 0.51 0.32 0.00 -0.25 0.00 0.00 175.52 176.19 2o2p h ALA 606 N 1.46 0.63 -0.26 6.62 0.00 -1.78 0.11 119.26 126.04 2o2p h ALA 606 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2o2p h ALA 606 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2o2p h ALA 606 CO 0.07 0.05 -0.38 -0.07 0.00 0.00 0.00 179.25 178.91 2o2p h LEU 607 N 0.65 0.62 -0.44 0.00 3.38 -1.13 -0.50 115.31 117.89 2o2p h LEU 607 Ca 0.19 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2o2p h LEU 607 Cb -0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2o2p h LEU 607 CO -0.05 0.94 -0.04 0.50 0.09 0.00 0.00 178.44 179.88 2o2p h LYS 608 N 0.49 0.81 -0.64 1.13 1.63 -1.12 -2.53 116.57 116.33 2o2p h LYS 608 Ca 0.05 -0.28 0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2o2p h LYS 608 Cb 0.89 -0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 32.37 2o2p h LYS 608 CO 0.08 0.89 0.19 0.35 -3.45 0.00 0.00 179.45 177.51 2o2p h PHE 609 N 0.64 0.31 -0.64 1.91 3.57 -0.53 -1.11 116.94 121.09 2o2p h PHE 609 Ca 0.12 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.73 2o2p h PHE 609 Cb 0.56 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 2o2p h PHE 609 CO 0.04 0.01 0.31 0.00 -2.23 0.00 0.00 178.31 176.45 2o2p h ALA 610 N 1.49 0.85 -0.90 2.41 0.00 -0.79 -0.17 119.26 122.14 2o2p h ALA 610 Ca 0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2o2p h ALA 610 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2o2p h ALA 610 CO -0.39 -0.05 0.56 1.49 0.00 0.00 0.00 179.25 180.86 2o2p h GLU 611 N 0.57 1.21 0.00 0.00 4.81 -0.93 -2.01 114.58 118.22 2o2p h GLU 611 Ca 0.30 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2o2p h GLU 611 Cb 0.27 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2o2p h GLU 611 CO -0.23 0.83 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.60 2o2p h LEU 612 N 1.23 0.00 -1.10 1.64 3.38 0.13 -1.62 115.31 118.97 2o2p h LEU 612 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 2o2p h LEU 612 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2o2p h LEU 612 CO -0.06 0.20 -0.21 0.71 0.09 0.00 0.00 178.44 179.17 2o2p h THR 613 N 0.00 1.24 -0.27 0.22 1.35 -0.43 -1.20 112.91 113.81 2o2p h THR 613 Ca -0.00 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 64.71 2o2p h THR 613 Cb 0.50 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2o2p h THR 613 CO 0.03 0.35 0.08 -0.07 -0.25 0.00 0.00 175.52 175.66 2o2p h LEU 614 N 0.35 0.40 -1.65 3.87 3.38 -1.21 -1.52 115.31 118.94 2o2p h LEU 614 Ca 0.06 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2o2p h LEU 614 Cb 0.57 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2o2p h LEU 614 CO 0.04 0.51 0.27 0.11 0.09 0.00 0.00 178.44 179.46 2o2p h LYS 615 N 0.28 0.45 0.00 1.13 1.57 -1.08 -2.30 116.57 116.62 2o2p h LYS 615 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2o2p h LYS 615 Cb 0.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2o2p h LYS 615 CO -0.00 0.30 -0.27 0.00 -0.57 0.00 0.00 179.45 178.91 2o2p n ALA 616 N -2.49 2.78 -1.37 3.86 0.00 -0.49 -4.94 120.51 117.85 2o2p n ALA 616 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2o2p n ALA 616 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.43 0.45 3.70 0.00 0.00 -0.87 -4.73 105.19 105.18 2o2p n GLY 617 Ca 0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.00 3.13 0.41 -0.61 -1.09 -0.62 -4.94 121.20 115.48 2o2p s ILE 618 Ca 0.00 0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 58.82 2o2p s ILE 618 Cb 0.00 -3.41 -0.11 0.00 -1.58 0.00 0.00 42.46 37.36 2o2p s ILE 618 CO 0.00 0.01 1.00 -2.65 -1.23 0.00 0.00 174.94 172.08 2o2p n PRO 619 N 5.12 1.35 -1.78 2.79 -0.02 -1.26 -4.74 135.00 136.46 2o2p n PRO 619 Ca 0.15 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 2o2p n PRO 619 Cb 0.41 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2o2p n PRO 619 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2o2p s LYS 620 N -1.97 4.13 0.00 -0.52 -0.14 -1.26 -2.36 119.74 117.62 2o2p s LYS 620 Ca 0.63 2.57 0.00 0.00 -1.36 0.00 0.00 55.97 57.80 2o2p s LYS 620 Cb -0.57 -3.05 0.00 0.00 -1.68 0.00 0.00 37.83 32.53 2o2p s LYS 620 CO 0.57 -0.66 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 2o2p n GLY 621 N 2.74 1.46 0.27 -3.33 0.00 -1.26 -4.70 105.19 100.37 2o2p n GLY 621 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.75 -3.26 116.25 112.91 2o2p h VAL 622 Ca 0.00 -1.19 -0.67 0.00 0.82 0.00 0.00 66.70 65.66 2o2p h VAL 622 Cb 0.00 1.02 -0.32 0.00 -1.52 0.00 0.00 31.29 30.46 2o2p h VAL 622 CO 0.00 0.42 -0.85 -0.69 0.02 0.00 0.00 177.57 176.47 2o2p s VAL 623 N -4.89 2.29 -0.01 2.57 1.01 -1.26 -0.58 120.40 119.54 2o2p s VAL 623 Ca -0.12 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2o2p s VAL 623 Cb 0.12 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 2o2p s VAL 623 CO 0.84 0.54 -0.07 0.20 0.00 0.00 0.00 175.10 176.61 2o2p s ASN 624 N 0.60 0.89 -0.06 3.32 0.01 -0.71 -4.62 114.94 114.36 2o2p s ASN 624 Ca -0.11 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 51.92 2o2p s ASN 624 Cb -0.16 -0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.40 2o2p s ASN 624 CO 0.03 0.09 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.98 2o2p s ILE 625 N -0.14 0.96 -0.56 0.60 1.01 0.30 -0.19 121.20 123.18 2o2p s ILE 625 Ca 0.02 -0.36 0.04 0.00 0.00 0.00 0.00 60.65 60.35 2o2p s ILE 625 Cb -0.03 -0.91 0.15 0.00 0.01 0.00 0.00 42.46 41.68 2o2p s ILE 625 CO -0.00 0.32 0.36 -0.76 0.00 0.00 0.00 174.94 174.86 2o2p s LEU 626 N 0.82 3.70 0.62 2.97 1.43 0.03 -1.43 118.68 126.84 2o2p s LEU 626 Ca -0.12 -3.26 -0.17 0.00 -1.03 0.00 0.00 54.13 49.55 2o2p s LEU 626 Cb -0.15 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2o2p s LEU 626 CO 0.02 -0.17 1.16 -2.16 0.23 0.00 0.00 176.35 175.42 2o2p s PRO 627 N -0.55 2.87 0.00 1.29 0.04 -1.26 -4.42 135.00 132.97 2o2p s PRO 627 Ca 0.23 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2o2p s PRO 627 Cb -0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2o2p s PRO 627 CO -0.09 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.12 2o2p n GLY 628 N 0.08 0.36 3.70 0.56 0.00 -1.26 -1.57 105.19 107.06 2o2p n GLY 628 Ca 0.12 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 6.97 0.17 1.61 0.15 -1.26 -3.79 113.70 113.55 2o2p s SER 629 Ca 0.00 2.04 -0.15 0.00 0.70 0.00 0.00 55.95 58.54 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 -0.59 1.81 1.23 1.20 0.00 0.00 173.24 176.89 2o2p h GLY 630 N 7.56 0.65 0.97 9.45 0.00 -1.97 -1.35 103.07 118.37 2o2p h GLY 630 Ca -0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 46.73 2o2p h GLY 630 CO 0.86 0.18 0.21 1.48 0.00 0.00 0.00 176.54 179.27 2o2p h SER 631 N 0.55 0.45 0.60 0.19 4.64 -1.98 -0.31 113.55 117.70 2o2p h SER 631 Ca 0.18 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 2o2p h SER 631 Cb 0.01 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2o2p h SER 631 CO -0.08 0.39 -0.29 0.25 -0.87 0.00 0.00 176.83 176.23 2o2p h LEU 632 N 0.47 -0.68 -0.10 5.97 6.46 -1.91 -1.81 115.31 123.72 2o2p h LEU 632 Ca 0.13 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.81 2o2p h LEU 632 Cb 0.03 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 2o2p h LEU 632 CO -0.02 -0.39 -0.18 0.58 -0.62 0.00 0.00 178.44 177.81 2o2p h VAL 633 N -0.96 1.39 -0.55 1.05 2.07 -1.29 -2.32 116.25 115.63 2o2p h VAL 633 Ca -0.08 -1.45 0.03 0.00 0.82 0.00 0.00 66.70 66.02 2o2p h VAL 633 Cb 0.67 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 2o2p h VAL 633 CO 0.14 0.42 0.32 1.23 0.02 0.00 0.00 177.57 179.69 2o2p h GLY 634 N -0.15 0.79 0.91 2.17 0.00 -1.16 -0.02 103.07 105.61 2o2p h GLY 634 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2o2p h GLY 634 CO 0.04 0.19 0.07 -1.61 0.00 0.00 0.00 176.54 175.23 2o2p h GLN 635 N 0.63 0.19 -0.41 4.80 5.75 -1.33 -1.31 115.11 123.44 2o2p h GLN 635 Ca 0.23 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.66 2o2p h GLN 635 Cb 0.06 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 2o2p h GLN 635 CO -0.11 0.24 0.07 -0.09 -2.65 0.00 0.00 178.83 176.28 2o2p h ARG 636 N 0.10 0.67 -0.75 1.69 9.65 -1.20 -0.94 114.38 123.59 2o2p h ARG 636 Ca 0.05 -0.18 0.07 0.00 -1.10 0.00 0.00 59.98 58.82 2o2p h ARG 636 Cb 0.11 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 2o2p h ARG 636 CO -0.01 0.71 0.42 -0.07 2.80 0.00 0.00 179.97 183.82 2o2p h LEU 637 N 0.52 0.61 -0.99 3.80 3.38 -0.94 -0.70 115.31 120.98 2o2p h LEU 637 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2o2p h LEU 637 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2o2p h LEU 637 CO 0.01 0.38 -0.27 0.77 0.09 0.00 0.00 178.44 179.41 2o2p h SER 638 N 0.74 0.00 1.28 -0.43 4.64 -0.89 -2.98 113.55 115.91 2o2p h SER 638 Ca 0.34 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.65 2o2p h SER 638 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2o2p h SER 638 CO -0.21 0.27 -0.73 0.44 -0.87 0.00 0.00 176.83 175.73 2o2p h ASP 639 N 0.00 0.00 -3.14 4.97 3.32 -0.69 -3.30 116.42 117.57 2o2p h ASP 639 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2o2p h ASP 639 Cb 0.82 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.40 2o2p h ASP 639 CO 0.04 0.06 0.70 -2.28 -1.72 0.00 0.00 179.24 176.03 2o2p s HIS 640 N -3.28 3.24 -0.14 4.55 2.46 -0.31 -4.82 115.29 116.99 2o2p s HIS 640 Ca 0.02 1.05 0.29 0.00 0.47 0.00 0.00 55.06 56.89 2o2p s HIS 640 Cb 0.08 -3.66 1.24 0.00 -0.13 0.00 0.00 32.58 30.11 2o2p s HIS 640 CO 0.76 -2.22 1.87 -1.00 -2.47 0.00 0.00 174.74 171.68 2o2p h PRO 641 N 6.26 0.00 -0.01 2.88 0.13 -1.91 -3.05 132.00 136.31 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 0.83 0.00 -0.49 -0.25 -0.23 0.00 0.00 178.00 177.86 2o2p n ASP 642 N -2.68 1.68 -4.77 1.44 10.43 -1.26 -4.89 116.55 116.51 2o2p n ASP 642 Ca 0.01 -1.30 -0.39 0.00 2.57 0.00 0.00 54.79 55.68 2o2p n ASP 642 Cb 0.25 0.45 -0.06 0.00 1.84 0.00 0.00 41.12 43.61 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 -2.55 4.85 -0.39 2.53 1.01 -1.15 -4.47 120.40 120.22 2o2p s VAL 643 Ca 0.18 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.55 2o2p s VAL 643 Cb 0.18 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.52 2o2p s VAL 643 CO 0.60 0.43 0.35 0.54 0.00 0.00 0.00 175.10 177.01 2o2p n ARG 644 N 2.59 4.29 -3.65 2.72 5.12 0.11 -4.82 116.66 123.02 2o2p n ARG 644 Ca -0.07 -0.03 -0.12 0.00 -1.93 0.00 0.00 57.85 55.70 2o2p n ARG 644 Cb 0.51 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 30.85 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 -1.71 0.73 -0.09 5.56 2.36 -1.23 -1.74 119.74 123.62 2o2p s LYS 645 Ca 0.03 0.96 0.03 0.00 -2.55 0.00 0.00 55.97 54.44 2o2p s LYS 645 Cb 0.06 0.30 -0.01 0.00 -1.05 0.00 0.00 37.83 37.13 2o2p s LYS 645 CO 0.32 -0.11 -0.18 0.42 1.55 0.00 0.00 175.35 177.35 2o2p s ILE 646 N 0.65 2.70 -0.20 5.43 -1.09 0.13 -0.88 121.20 127.94 2o2p s ILE 646 Ca -0.02 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 57.55 2o2p s ILE 646 Cb -0.05 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.75 2o2p s ILE 646 CO -0.04 0.56 -0.06 -0.83 -1.23 0.00 0.00 174.94 173.34 2o2p s GLY 647 N -0.05 1.60 -0.06 6.18 0.00 -0.19 -1.60 107.32 113.21 2o2p s GLY 647 Ca -0.05 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.60 2o2p s GLY 647 CO 0.04 0.29 -0.13 -0.12 0.00 0.00 0.00 173.10 173.19 2o2p s PHE 648 N 1.21 1.46 -0.09 1.90 5.36 -0.54 -0.98 117.98 126.30 2o2p s PHE 648 Ca 0.03 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 2o2p s PHE 648 Cb -0.14 -1.06 0.01 0.00 -0.34 0.00 0.00 43.02 41.49 2o2p s PHE 648 CO -0.02 -0.26 -0.14 0.99 -1.46 0.00 0.00 175.22 174.34 2o2p s THR 649 N 0.58 1.34 -2.74 0.12 2.01 -1.09 -1.41 115.64 114.45 2o2p s THR 649 Ca -0.13 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.30 2o2p s THR 649 Cb -0.15 -1.22 0.00 0.00 0.01 0.00 0.00 72.50 71.14 2o2p s THR 649 CO 0.03 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2o2p n GLY 650 N 4.01 -0.63 3.82 4.40 0.00 -0.76 -3.85 105.19 112.17 2o2p n GLY 650 Ca -0.20 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.92 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 6.05 0.14 1.61 1.04 -1.26 -4.21 113.70 113.07 2o2p s SER 651 Ca 0.00 1.72 -0.17 0.00 0.48 0.00 0.00 55.95 57.98 2o2p s SER 651 Cb 0.00 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 2o2p s SER 651 CO 0.00 -0.98 1.79 0.74 0.98 0.00 0.00 173.24 175.77 2o2p h THR 652 N 0.54 1.06 -0.49 2.02 2.02 -1.95 -0.05 112.91 116.07 2o2p h THR 652 Ca -0.47 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 66.46 2o2p h THR 652 Cb 1.21 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2o2p h THR 652 CO 0.59 0.08 -0.15 -0.33 0.37 0.00 0.00 175.52 176.08 2o2p h GLU 653 N 0.42 0.93 -0.29 6.66 4.39 -1.96 -0.32 114.58 124.41 2o2p h GLU 653 Ca 0.12 -0.35 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 2o2p h GLU 653 Cb -0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 2o2p h GLU 653 CO -0.04 1.01 0.00 0.28 -1.16 0.00 0.00 179.01 179.10 2o2p h VAL 654 N 0.83 1.26 -0.64 3.13 2.07 -1.93 -2.77 116.25 118.20 2o2p h VAL 654 Ca 0.12 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.77 2o2p h VAL 654 Cb 0.69 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2o2p h VAL 654 CO 0.05 0.30 0.36 1.23 0.02 0.00 0.00 177.57 179.52 2o2p h GLY 655 N 0.30 0.93 1.03 2.17 0.00 -0.70 0.42 103.07 107.22 2o2p h GLY 655 Ca 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 2o2p h GLY 655 CO 0.01 0.16 0.48 0.50 0.00 0.00 0.00 176.54 177.69 2o2p h LYS 656 N 0.67 1.25 0.00 4.80 1.57 -1.04 -0.74 116.57 123.08 2o2p h LYS 656 Ca 0.28 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2o2p h LYS 656 Cb 0.16 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2o2p h LYS 656 CO -0.17 0.93 -0.25 0.45 -0.57 0.00 0.00 179.45 179.83 2o2p h HIS 657 N 1.26 0.00 0.20 -1.35 3.86 -1.11 -1.10 115.15 116.90 2o2p h HIS 657 Ca 0.31 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2o2p h HIS 657 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2o2p h HIS 657 CO 0.01 0.00 -0.09 0.82 0.86 0.00 0.00 177.93 179.53 2o2p h ILE 658 N 0.00 0.89 -0.97 2.45 1.08 -0.59 -2.18 117.51 118.18 2o2p h ILE 658 Ca 0.00 -0.44 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 2o2p h ILE 658 Cb 0.95 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2o2p h ILE 658 CO 0.00 0.10 0.64 -0.03 -0.69 0.00 0.00 178.15 178.17 2o2p h MET 659 N -0.48 1.25 -0.65 2.37 4.05 -1.01 -0.46 114.93 120.00 2o2p h MET 659 Ca -0.03 -0.08 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 2o2p h MET 659 Cb 0.37 -0.28 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2o2p h MET 659 CO 0.04 0.83 0.34 -0.22 0.23 0.00 0.00 176.91 178.13 2o2p h LYS 660 N 1.29 0.91 -0.36 0.39 3.64 -1.22 -2.08 116.57 119.14 2o2p h LYS 660 Ca 0.36 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 2o2p h LYS 660 Cb -0.10 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 2o2p h LYS 660 CO -0.09 0.71 -0.22 0.77 -2.27 0.00 0.00 179.45 178.35 2o2p h SER 661 N 0.89 0.70 -0.83 4.20 0.02 -0.65 -1.95 113.55 115.93 2o2p h SER 661 Ca 0.23 -0.24 0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2o2p h SER 661 Cb 0.07 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 2o2p h SER 661 CO -0.03 0.90 0.52 0.00 -1.14 0.00 0.00 176.83 177.08 2o2p h ALA 663 N 1.38 0.17 0.00 0.00 0.00 -0.94 -1.75 119.26 118.12 2o2p h ALA 663 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2o2p h ALA 663 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2o2p h ALA 663 CO -0.15 -0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 178.81 2o2p h LEU 664 N 0.01 0.00 0.00 0.00 3.38 -1.26 -3.31 115.31 114.13 2o2p h LEU 664 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2o2p h LEU 664 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2o2p h LEU 664 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 2o2p n SER 665 N -2.33 0.00 -1.11 -0.43 3.41 -0.95 -4.92 113.62 107.29 2o2p n SER 665 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.71 2o2p n SER 665 Cb 0.44 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.41 1.17 -4.34 4.04 6.94 -1.22 -4.99 115.26 116.45 2o2p n ASN 666 Ca 0.00 -2.57 -0.36 0.00 -0.02 0.00 0.00 54.58 51.62 2o2p n ASN 666 Cb 0.00 -0.36 -0.07 0.00 -2.36 0.00 0.00 39.78 36.99 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 -0.07 -0.87 -1.62 3.53 0.24 -0.67 -4.92 118.33 113.96 2o2p n VAL 667 Ca 0.09 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 61.84 2o2p n VAL 667 Cb 0.96 -1.16 0.08 0.00 -1.47 0.00 0.00 33.84 32.25 2o2p n VAL 667 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2o2p s LYS 668 N -7.13 2.38 0.63 7.34 -2.85 -1.16 -4.96 119.74 113.98 2o2p s LYS 668 Ca 0.49 1.92 -0.17 0.00 -1.00 0.00 0.00 55.97 57.22 2o2p s LYS 668 Cb -0.28 -1.84 -0.02 0.00 -2.06 0.00 0.00 37.83 33.63 2o2p s LYS 668 CO 0.98 -1.69 1.14 0.15 0.10 0.00 0.00 175.35 176.02 2o2p s LYS 669 N -3.60 2.91 -0.02 1.78 1.02 -0.71 -4.75 119.74 116.37 2o2p s LYS 669 Ca 0.79 1.54 -0.06 0.00 0.02 0.00 0.00 55.97 58.25 2o2p s LYS 669 Cb -0.34 -1.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2o2p s LYS 669 CO 0.42 -1.19 0.13 0.54 -0.92 0.00 0.00 175.35 174.33 2o2p s VAL 670 N -2.06 0.05 0.06 3.17 0.11 -1.26 -0.70 120.40 119.77 2o2p s VAL 670 Ca 0.70 -0.42 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 2o2p s VAL 670 Cb -0.23 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 2o2p s VAL 670 CO 0.37 -0.23 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.29 2o2p s SER 671 N -0.79 2.11 -0.02 3.54 0.01 -0.62 -4.96 113.70 112.97 2o2p s SER 671 Ca -0.09 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2o2p s SER 671 Cb -0.05 -0.13 0.01 0.00 0.21 0.00 0.00 66.02 66.06 2o2p s SER 671 CO 0.01 0.06 -0.04 -0.76 0.41 0.00 0.00 173.24 172.92 2o2p s LEU 672 N -1.43 1.61 -0.15 2.44 1.43 -0.82 -1.47 118.68 120.29 2o2p s LEU 672 Ca 0.04 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2o2p s LEU 672 Cb -0.09 -0.30 0.04 0.00 0.03 0.00 0.00 46.19 45.88 2o2p s LEU 672 CO 0.02 -0.01 -0.02 -0.70 0.23 0.00 0.00 176.35 175.88 2o2p s GLU 673 N 0.45 1.02 -0.17 1.70 -6.30 -0.50 -1.25 118.70 113.66 2o2p s GLU 673 Ca -0.05 -0.35 0.14 0.00 -2.50 0.00 0.00 54.97 52.21 2o2p s GLU 673 Cb -0.08 -1.80 0.37 0.00 0.00 0.00 0.00 34.13 32.61 2o2p s GLU 673 CO -0.00 -0.46 1.19 1.28 0.02 0.00 0.00 175.26 177.28 2o2p n LEU 674 N 4.99 2.50 0.00 2.70 4.77 0.30 -1.83 117.00 130.43 2o2p n LEU 674 Ca -0.10 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 2o2p n LEU 674 Cb 0.48 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2o2p n LEU 674 CO 0.14 1.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 2o2p n GLY 675 N -1.19 -2.11 3.66 -0.72 0.00 -1.26 -4.35 105.19 99.22 2o2p n GLY 675 Ca 0.17 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.98 -0.33 -0.53 -0.02 0.00 -1.26 -4.52 107.32 99.68 2o2p s GLY 676 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 44.72 44.88 2o2p s GLY 676 CO 0.00 0.04 0.56 1.17 0.00 0.00 0.00 173.10 174.86 2o2p n LYS 677 N -0.42 1.40 -2.73 2.90 3.00 -1.26 -4.55 118.16 116.50 2o2p n LYS 677 Ca -0.10 -3.91 -0.42 0.00 -0.00 0.00 0.00 58.31 53.88 2o2p n LYS 677 Cb 0.62 -1.82 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 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 -1.43 7.15 0.16 3.14 0.01 -1.26 -4.73 113.70 116.75 2o2p s SER 678 Ca 0.34 1.42 -0.23 0.00 1.31 0.00 0.00 55.95 58.79 2o2p s SER 678 Cb 0.10 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 2o2p s SER 678 CO -0.11 -0.47 0.74 -2.16 0.41 0.00 0.00 173.24 171.65 2o2p s PRO 679 N 2.24 4.45 -0.21 12.44 0.04 -1.26 -0.24 135.00 152.47 2o2p s PRO 679 Ca 0.45 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.55 2o2p s PRO 679 Cb -0.17 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.22 2o2p s PRO 679 CO 0.15 0.55 -0.16 -1.17 0.04 0.00 0.00 177.00 176.40 2o2p s LEU 680 N -1.29 2.56 -0.27 -3.56 2.96 0.27 -0.79 118.68 118.56 2o2p s LEU 680 Ca 0.36 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 53.27 2o2p s LEU 680 Cb -0.21 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 2o2p s LEU 680 CO 0.24 -0.07 0.14 -0.63 -1.32 0.00 0.00 176.35 174.71 2o2p s ILE 681 N 1.24 4.91 -0.28 6.68 1.01 -0.05 -0.50 121.20 134.21 2o2p s ILE 681 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2o2p s ILE 681 Cb -0.16 -3.32 0.04 0.00 0.01 0.00 0.00 42.46 39.03 2o2p s ILE 681 CO -0.10 0.29 -0.03 -0.63 0.00 0.00 0.00 174.94 174.47 2o2p s ILE 682 N 1.70 2.92 0.28 2.92 1.01 0.79 -0.94 121.20 129.88 2o2p s ILE 682 Ca 0.07 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 2o2p s ILE 682 Cb -0.16 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.65 2o2p s ILE 682 CO 0.08 0.02 0.61 -0.36 0.00 0.00 0.00 174.94 175.29 2o2p s PHE 683 N 1.28 3.44 0.59 3.97 0.08 -0.57 -1.55 117.98 125.22 2o2p s PHE 683 Ca -0.03 0.89 0.30 0.00 0.12 0.00 0.00 56.93 58.20 2o2p s PHE 683 Cb -0.18 -2.29 1.79 0.00 -0.57 0.00 0.00 43.02 41.77 2o2p s PHE 683 CO -0.03 0.17 2.22 0.00 -0.10 0.00 0.00 175.22 177.48 2o2p h ALA 684 N 2.12 1.59 -0.29 5.36 0.00 -1.88 -1.82 119.26 124.33 2o2p h ALA 684 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2o2p h ALA 684 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2o2p h ALA 684 CO 0.67 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 2o2p n ASP 685 N -3.82 2.44 -4.87 0.00 5.68 -1.26 -4.90 116.55 109.82 2o2p n ASP 685 Ca -0.02 -2.21 -0.29 0.00 -0.50 0.00 0.00 54.79 51.77 2o2p n ASP 685 Cb 0.14 -0.41 0.10 0.00 -1.14 0.00 0.00 41.12 39.81 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 -4.42 6.30 0.05 0.00 3.68 -1.26 -4.90 116.67 116.12 2o2p s ASP 687 Ca 0.62 0.76 -0.21 0.00 2.13 0.00 0.00 52.55 55.85 2o2p s ASP 687 Cb -0.12 -2.54 -0.13 0.00 -1.45 0.00 0.00 42.92 38.68 2o2p s ASP 687 CO 0.50 -1.48 1.41 0.25 0.13 0.00 0.00 175.17 175.99 2o2p h LEU 688 N 12.35 0.32 -1.00 -1.34 5.85 -1.94 0.30 115.31 129.84 2o2p h LEU 688 Ca -0.27 -0.40 -0.03 0.00 0.84 0.00 0.00 57.88 58.01 2o2p h LEU 688 Cb 1.10 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2o2p h LEU 688 CO 1.10 0.65 0.31 0.78 -0.34 0.00 0.00 178.44 180.93 2o2p h ASN 689 N -0.01 0.93 -0.65 1.25 2.35 -2.00 -0.60 115.58 116.85 2o2p h ASN 689 Ca 0.04 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.59 2o2p h ASN 689 Cb 0.52 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 2o2p h ASN 689 CO 0.02 0.81 0.09 0.11 -1.65 0.00 0.00 177.43 176.81 2o2p h LYS 690 N 1.01 1.09 -0.81 0.81 1.57 -1.95 -2.11 116.57 116.19 2o2p h LYS 690 Ca 0.24 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2o2p h LYS 690 Cb 0.15 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 2o2p h LYS 690 CO -0.03 1.02 0.53 0.00 -0.57 0.00 0.00 179.45 180.40 2o2p h ALA 691 N 1.03 1.43 -0.14 3.86 0.00 -0.23 0.14 119.26 125.37 2o2p h ALA 691 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2o2p h ALA 691 Cb 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2o2p h ALA 691 CO 0.02 0.52 -0.00 0.28 0.00 0.00 0.00 179.25 180.07 2o2p h VAL 692 N 1.08 1.25 -0.18 0.00 2.07 -0.91 0.25 116.25 119.82 2o2p h VAL 692 Ca 0.30 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2o2p h VAL 692 Cb -0.11 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2o2p h VAL 692 CO -0.07 0.24 0.11 1.56 0.02 0.00 0.00 177.57 179.44 2o2p h GLN 693 N -0.01 0.24 0.00 1.57 1.08 -1.06 0.71 115.11 117.65 2o2p h GLN 693 Ca 0.04 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 57.03 2o2p h GLN 693 Cb 0.37 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2o2p h GLN 693 CO 0.01 0.20 -0.87 0.52 -0.95 0.00 0.00 178.83 177.73 2o2p h MET 694 N 0.22 0.14 -0.53 1.46 2.86 -1.00 -1.86 114.93 116.22 2o2p h MET 694 Ca 0.06 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2o2p h MET 694 Cb 0.01 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2o2p h MET 694 CO -0.01 0.92 0.13 0.78 1.06 0.00 0.00 176.91 179.79 2o2p h GLY 695 N 2.02 0.91 0.51 8.32 0.00 -0.38 0.04 103.07 114.50 2o2p h GLY 695 Ca -0.04 -0.57 0.03 0.00 0.00 0.00 0.00 47.33 46.75 2o2p h GLY 695 CO 0.13 0.53 -0.20 -0.33 0.00 0.00 0.00 176.54 176.67 2o2p h MET 696 N 0.75 -0.30 -0.88 4.80 2.07 -0.76 -2.78 114.93 117.83 2o2p h MET 696 Ca 0.17 0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.87 2o2p h MET 696 Cb 0.33 0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 30.07 2o2p h MET 696 CO 0.00 -0.20 0.56 1.03 1.07 0.00 0.00 176.91 179.36 2o2p h SER 697 N -0.32 0.90 -0.42 1.22 0.87 -1.14 0.13 113.55 114.78 2o2p h SER 697 Ca 0.06 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.72 2o2p h SER 697 Cb 0.40 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2o2p h SER 697 CO -0.19 0.59 0.30 0.77 -0.53 0.00 0.00 176.83 177.76 2o2p h SER 698 N 1.04 0.13 0.00 6.23 4.64 -0.70 -1.90 113.55 122.99 2o2p h SER 698 Ca 0.37 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.25 2o2p h SER 698 Cb 0.11 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.11 2o2p h SER 698 CO -0.15 0.08 -2.44 0.52 -0.87 0.00 0.00 176.83 173.97 2o2p n VAL 699 N -4.45 1.53 0.88 0.95 0.31 -0.98 -1.26 118.33 115.31 2o2p n VAL 699 Ca 0.07 -0.38 0.12 0.00 -0.01 0.00 0.00 64.34 64.13 2o2p n VAL 699 Cb 0.40 -1.84 0.22 0.00 -0.91 0.00 0.00 33.84 31.70 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 -4.15 0.13 -1.68 3.52 3.72 -0.01 -3.56 117.46 115.43 2o2p n PHE 700 Ca -0.52 0.04 -0.45 0.00 -0.05 0.00 0.00 57.45 56.47 2o2p n PHE 700 Cb 0.89 -0.34 -0.03 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.66 2.22 -3.81 1.38 7.35 -0.72 -1.83 117.46 120.40 2o2p n PHE 701 Ca 0.05 0.41 -0.25 0.00 -0.76 0.00 0.00 57.45 56.89 2o2p n PHE 701 Cb 0.36 -2.47 0.03 0.00 0.35 0.00 0.00 39.48 37.75 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 2.20 -2.77 -3.14 -2.13 5.15 -1.26 -1.25 115.26 112.07 2o2p n ASN 702 Ca 0.12 -0.81 -0.18 0.00 -0.60 0.00 0.00 54.58 53.11 2o2p n ASN 702 Cb 0.32 -3.94 -0.01 0.00 -0.53 0.00 0.00 39.78 35.62 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 -4.47 -2.72 -0.90 1.20 0.00 -0.76 -1.46 118.16 109.05 2o2p n LYS 703 Ca -0.15 0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 2o2p n LYS 703 Cb 0.61 -4.94 0.00 0.00 -0.00 0.00 0.00 35.03 30.70 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 -0.91 0.81 3.16 2.58 0.00 -0.38 -3.22 105.19 107.23 2o2p n GLY 704 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 3.46 -3.51 1.61 1.02 -0.53 -3.24 120.64 117.44 2o2p n GLU 705 Ca 0.00 -3.62 -0.08 0.00 -0.02 0.00 0.00 57.16 53.44 2o2p n GLU 705 Cb 0.00 -3.02 -0.08 0.00 -0.02 0.00 0.00 31.44 28.32 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 1.99 -0.14 0.55 1.62 3.04 -1.26 -4.71 114.94 116.02 2o2p s ASN 706 Ca 0.42 0.70 0.30 0.00 0.04 0.00 0.00 52.86 54.33 2o2p s ASN 706 Cb 0.04 1.32 1.59 0.00 -1.54 0.00 0.00 41.25 42.66 2o2p s ASN 706 CO 0.00 -0.26 2.12 0.00 -3.04 0.00 0.00 177.10 175.92 2o2p n ILE 708 N -3.55 0.84 -1.59 0.00 -5.35 -1.26 -3.97 119.36 104.48 2o2p n ILE 708 Ca -0.02 -0.91 -0.44 0.00 -0.27 0.00 0.00 62.75 61.11 2o2p n ILE 708 Cb 0.21 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.73 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 1.60 -0.21 -2.10 -1.28 0.00 -0.71 -4.85 120.51 112.96 2o2p n ALA 709 Ca 0.23 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 2o2p n ALA 709 Cb 0.61 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.14 3.30 -0.89 0.00 0.00 -0.39 -4.07 121.76 118.57 2o2p s ALA 710 Ca 0.60 0.51 0.24 0.00 0.00 0.00 0.00 51.96 53.31 2o2p s ALA 710 Cb -0.66 -3.84 0.28 0.00 0.00 0.00 0.00 23.12 18.90 2o2p s ALA 710 CO 0.59 -1.90 1.25 0.41 0.00 0.00 0.00 175.76 176.11 2o2p n GLY 711 N 4.61 -1.22 3.01 0.00 0.00 0.66 -4.62 105.19 107.63 2o2p n GLY 711 Ca 0.19 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.05 0.16 -0.19 1.61 0.52 -1.06 -4.62 118.95 112.31 2o2p s ARG 712 Ca 0.09 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.56 2o2p s ARG 712 Cb 0.16 -0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 2o2p s ARG 712 CO 0.75 -0.08 -0.04 -0.51 0.02 0.00 0.00 175.30 175.44 2o2p s LEU 713 N 0.51 3.02 -0.26 2.53 1.02 0.16 -0.56 118.68 125.10 2o2p s LEU 713 Ca -0.04 -0.29 -0.09 0.00 0.02 0.00 0.00 54.13 53.73 2o2p s LEU 713 Cb -0.05 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 2o2p s LEU 713 CO -0.02 0.05 0.12 -0.36 0.02 0.00 0.00 176.35 176.16 2o2p s PHE 714 N 1.04 3.15 -0.10 0.29 0.40 0.34 -0.70 117.98 122.41 2o2p s PHE 714 Ca 0.01 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2o2p s PHE 714 Cb -0.15 -2.30 -0.00 0.00 0.51 0.00 0.00 43.02 41.09 2o2p s PHE 714 CO 0.00 -0.25 -0.24 0.08 0.70 0.00 0.00 175.22 175.51 2o2p s VAL 715 N 1.65 2.05 0.35 -0.44 1.01 0.13 -0.15 120.40 124.99 2o2p s VAL 715 Ca 0.07 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 2o2p s VAL 715 Cb -0.15 -1.77 -0.11 0.00 0.00 0.00 0.00 36.38 34.34 2o2p s VAL 715 CO 0.07 0.56 1.44 -0.70 0.00 0.00 0.00 175.10 176.47 2o2p s GLU 716 N 0.33 4.19 0.24 2.72 2.12 -0.59 -2.15 118.70 125.55 2o2p s GLU 716 Ca -0.19 2.45 -0.12 0.00 0.36 0.00 0.00 54.97 57.48 2o2p s GLU 716 Cb -0.18 -3.01 0.31 0.00 0.26 0.00 0.00 34.13 31.51 2o2p s GLU 716 CO 0.09 -0.44 1.60 1.49 -0.54 0.00 0.00 175.26 177.46 2o2p h GLU 717 N 3.44 -0.01 0.00 4.30 4.57 -0.88 -1.57 114.58 124.43 2o2p h GLU 717 Ca -0.50 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 2o2p h GLU 717 Cb 1.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2o2p h GLU 717 CO 0.67 -0.01 -0.06 0.66 -1.18 0.00 0.00 179.01 179.09 2o2p h SER 718 N -0.01 0.00 -0.01 1.04 4.64 -1.90 -2.57 113.55 114.74 2o2p h SER 718 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2o2p h SER 718 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2o2p h SER 718 CO -0.80 0.06 -0.07 2.30 -0.87 0.00 0.00 176.83 177.45 2o2p n ILE 719 N -3.47 0.00 0.17 0.95 -5.35 -0.67 -4.81 119.36 106.18 2o2p n ILE 719 Ca -0.02 -0.47 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 2o2p n ILE 719 Cb 0.19 1.17 -0.07 0.00 -1.74 0.00 0.00 39.64 39.18 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 1.57 -0.95 -0.69 4.28 2.76 -0.92 0.31 115.15 121.52 2o2p h HIS 720 Ca 0.00 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2o2p h HIS 720 Cb 0.37 0.38 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 2o2p h HIS 720 CO 0.00 -0.47 0.38 -0.91 -1.30 0.00 0.00 177.93 175.63 2o2p h ASN 721 N -0.65 0.86 -0.69 3.26 2.35 -1.87 -1.24 115.58 117.60 2o2p h ASN 721 Ca 0.00 -0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 2o2p h ASN 721 Cb 0.63 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 2o2p h ASN 721 CO -0.13 0.71 0.23 -0.61 -1.65 0.00 0.00 177.43 175.97 2o2p h GLN 722 N 0.95 1.06 -0.13 0.81 4.15 -1.86 -1.32 115.11 118.77 2o2p h GLN 722 Ca 0.24 -0.22 0.02 0.00 0.77 0.00 0.00 58.65 59.46 2o2p h GLN 722 Cb 0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 2o2p h GLN 722 CO -0.04 0.90 0.02 0.35 -1.93 0.00 0.00 178.83 178.14 2o2p h PHE 723 N 1.00 0.04 -0.53 3.99 3.04 -0.42 -1.23 116.94 122.82 2o2p h PHE 723 Ca 0.22 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 2o2p h PHE 723 Cb 0.27 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 2o2p h PHE 723 CO 0.02 0.01 0.33 0.28 -2.02 0.00 0.00 178.31 176.93 2o2p h VAL 724 N 0.08 1.16 -0.40 1.41 2.07 -1.07 -0.18 116.25 119.31 2o2p h VAL 724 Ca 0.06 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.29 2o2p h VAL 724 Cb 0.06 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2o2p h VAL 724 CO -0.08 0.16 0.14 1.56 0.02 0.00 0.00 177.57 179.37 2o2p h GLN 725 N 0.72 0.30 -0.59 1.57 4.20 -1.01 -0.62 115.11 119.67 2o2p h GLN 725 Ca 0.19 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.81 2o2p h GLN 725 Cb -0.03 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.66 2o2p h GLN 725 CO -0.04 0.20 0.06 0.87 -0.67 0.00 0.00 178.83 179.25 2o2p h LYS 726 N 0.30 1.00 -0.20 1.46 1.57 -0.90 -2.16 116.57 117.63 2o2p h LYS 726 Ca 0.19 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2o2p h LYS 726 Cb 0.17 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2o2p h LYS 726 CO -0.19 0.96 0.04 0.28 -0.57 0.00 0.00 179.45 179.97 2o2p h VAL 727 N 0.89 0.91 -0.86 0.50 2.07 -0.69 -1.83 116.25 117.24 2o2p h VAL 727 Ca 0.17 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2o2p h VAL 727 Cb 0.47 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2o2p h VAL 727 CO 0.02 0.02 0.56 0.58 0.02 0.00 0.00 177.57 178.77 2o2p h VAL 728 N 0.12 1.18 -0.63 2.57 2.07 -0.92 0.19 116.25 120.83 2o2p h VAL 728 Ca 0.09 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2o2p h VAL 728 Cb 0.09 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 2o2p h VAL 728 CO -0.12 0.21 0.40 -0.33 0.02 0.00 0.00 177.57 177.74 2o2p h GLU 729 N 1.13 0.77 -0.34 1.57 5.08 -1.16 -1.53 114.58 120.09 2o2p h GLU 729 Ca 0.33 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.49 2o2p h GLU 729 Cb -0.07 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2o2p h GLU 729 CO -0.09 0.51 -0.38 0.93 -1.00 0.00 0.00 179.01 178.98 2o2p h GLU 730 N 0.79 0.86 -0.76 2.33 4.39 -0.53 -3.13 114.58 118.53 2o2p h GLU 730 Ca 0.25 -0.47 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2o2p h GLU 730 Cb -0.01 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2o2p h GLU 730 CO -0.09 1.11 0.49 0.28 -1.16 0.00 0.00 179.01 179.64 2o2p h VAL 731 N 0.66 1.12 0.00 3.13 2.07 -0.48 -1.99 116.25 120.76 2o2p h VAL 731 Ca 0.05 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2o2p h VAL 731 Cb 0.97 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2o2p h VAL 731 CO 0.09 0.17 -0.02 -0.33 0.02 0.00 0.00 177.57 177.51 2o2p h GLU 732 N 0.96 0.00 -0.00 1.57 5.08 -1.23 -1.91 114.58 119.05 2o2p h GLU 732 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2o2p h GLU 732 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2o2p h GLU 732 CO -0.10 0.02 -0.01 1.63 -1.00 0.00 0.00 179.01 179.54 2o2p n LYS 733 N -4.16 0.17 -2.25 2.33 5.02 -0.75 -4.88 118.16 113.65 2o2p n LYS 733 Ca -0.03 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2o2p n LYS 733 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.83 4.35 -0.40 1.97 -1.94 -0.72 -4.99 119.30 114.74 2o2p s MET 734 Ca 0.20 1.97 -0.20 0.00 -1.71 0.00 0.00 55.69 55.95 2o2p s MET 734 Cb 0.19 -3.32 0.01 0.00 2.01 0.00 0.00 34.83 33.73 2o2p s MET 734 CO 0.51 -0.40 0.62 0.21 -0.01 0.00 0.00 175.02 175.94 2o2p s LYS 735 N 1.27 3.45 -0.07 2.03 2.47 -1.26 -4.96 119.74 122.66 2o2p s LYS 735 Ca 0.63 -0.20 -0.21 0.00 -1.56 0.00 0.00 55.97 54.62 2o2p s LYS 735 Cb -0.34 -3.89 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 2o2p s LYS 735 CO 0.29 -0.87 0.61 0.42 0.16 0.00 0.00 175.35 175.96 2o2p s ILE 736 N 2.73 5.07 -0.30 5.43 1.01 -1.26 -0.81 121.20 133.07 2o2p s ILE 736 Ca 0.23 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2o2p s ILE 736 Cb -0.14 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.37 2o2p s ILE 736 CO 0.17 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.02 2o2p n GLY 737 N 3.06 -1.23 3.69 6.18 0.00 -0.81 -4.96 105.19 111.13 2o2p n GLY 737 Ca -0.04 -0.90 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 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 0.18 3.65 0.33 1.61 2.85 -1.26 -4.40 115.26 118.23 2o2p n ASN 738 Ca 0.00 1.05 0.22 0.00 -0.11 0.00 0.00 54.58 55.74 2o2p n ASN 738 Cb 0.00 -1.51 1.17 0.00 1.24 0.00 0.00 39.78 40.68 2o2p n ASN 738 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2o2p h PRO 739 N 6.82 0.00 0.00 1.20 0.13 -1.87 -1.87 132.00 136.40 2o2p h PRO 739 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2o2p h PRO 739 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2o2p h PRO 739 CO 0.93 0.00 -0.15 1.28 -0.23 0.00 0.00 178.00 179.83 2o2p n LEU 740 N -3.14 0.62 -4.72 1.56 4.77 -1.26 -0.70 117.00 114.13 2o2p n LEU 740 Ca -0.03 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.00 2o2p n LEU 740 Cb 0.09 -0.32 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 2o2p n LEU 740 CO 0.21 -0.10 0.65 -1.61 -1.33 0.00 0.00 177.39 175.20 2o2p s GLU 741 N -3.09 4.59 0.47 3.23 0.41 -0.71 -4.94 118.70 118.67 2o2p s GLU 741 Ca 0.10 1.38 0.22 0.00 -0.41 0.00 0.00 54.97 56.26 2o2p s GLU 741 Cb 0.14 -3.43 1.17 0.00 -1.78 0.00 0.00 34.13 30.23 2o2p s GLU 741 CO 0.61 0.06 1.98 0.00 -0.49 0.00 0.00 175.26 177.42 2o2p h ARG 742 N 6.34 0.00 -0.01 1.61 2.47 -1.87 -2.28 114.38 120.64 2o2p h ARG 742 Ca -0.42 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2o2p h ARG 742 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 2o2p h ARG 742 CO 0.74 0.20 -0.06 -0.40 0.56 0.00 0.00 179.97 181.00 2o2p n ASP 743 N -3.81 1.37 -4.73 7.04 3.85 -1.26 -4.88 116.55 114.12 2o2p n ASP 743 Ca -0.02 -1.34 -0.42 0.00 -0.71 0.00 0.00 54.79 52.30 2o2p n ASP 743 Cb 0.30 0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.07 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 -2.12 2.78 0.00 2.12 2.01 -0.86 -4.69 115.64 114.88 2o2p s THR 744 Ca 0.35 0.60 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2o2p s THR 744 Cb 0.21 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.33 2o2p s THR 744 CO 0.38 0.07 0.36 -0.46 -0.69 0.00 0.00 174.62 174.28 2o2p n ASN 745 N 3.22 0.73 -3.78 3.53 2.04 0.01 -4.96 115.26 116.05 2o2p n ASN 745 Ca 0.10 -0.94 -0.28 0.00 -0.44 0.00 0.00 54.58 53.02 2o2p n ASN 745 Cb 0.40 0.09 -0.16 0.00 -2.53 0.00 0.00 39.78 37.58 2o2p n ASN 745 CO 0.00 0.00 0.00 -2.28 -0.44 0.00 0.00 177.26 174.54 2o2p s HIS 746 N -0.09 1.37 0.63 -2.53 5.04 -0.44 -4.91 115.29 114.36 2o2p s HIS 746 Ca 0.00 -1.11 -0.03 0.00 -1.54 0.00 0.00 55.06 52.38 2o2p s HIS 746 Cb 0.00 -1.19 0.13 0.00 0.04 0.00 0.00 32.58 31.56 2o2p s HIS 746 CO 0.00 -0.66 0.87 0.41 -2.34 0.00 0.00 174.74 173.01 2o2p n GLY 747 N 4.95 0.19 3.83 1.59 0.00 -1.26 -1.92 105.19 112.57 2o2p n GLY 747 Ca -0.09 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 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 -4.75 3.21 0.87 1.61 0.04 -1.26 -4.75 135.00 129.97 2o2p s PRO 748 Ca 0.55 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 2o2p s PRO 748 Cb -0.03 -2.03 0.12 0.00 0.04 0.00 0.00 34.50 32.60 2o2p s PRO 748 CO 0.37 -0.88 1.10 -0.65 0.04 0.00 0.00 177.00 176.98 2o2p s GLN 749 N -4.79 1.43 0.17 4.56 -1.52 0.11 -4.72 119.66 114.89 2o2p s GLN 749 Ca 0.59 1.20 -0.13 0.00 -1.95 0.00 0.00 55.36 55.07 2o2p s GLN 749 Cb -0.14 -1.80 0.06 0.00 -0.22 0.00 0.00 33.01 30.92 2o2p s GLN 749 CO 0.49 -2.23 1.73 -0.97 -0.25 0.00 0.00 175.29 174.05 2o2p h ASN 750 N -1.56 0.78 -5.03 5.90 -0.73 -1.85 -3.44 115.58 109.64 2o2p h ASN 750 Ca -0.46 -0.16 -0.01 0.00 1.87 0.00 0.00 56.30 57.53 2o2p h ASN 750 Cb 1.26 -0.20 -0.11 0.00 0.27 0.00 0.00 38.32 39.54 2o2p h ASN 750 CO 0.49 0.73 0.12 -1.38 -0.37 0.00 0.00 177.43 177.02 2o2p s HIS 751 N -5.58 -0.34 0.18 0.67 -3.43 -1.26 -4.56 115.29 100.97 2o2p s HIS 751 Ca -0.13 0.05 -0.13 0.00 -0.80 0.00 0.00 55.06 54.06 2o2p s HIS 751 Cb 0.12 0.49 0.14 0.00 -1.43 0.00 0.00 32.58 31.90 2o2p s HIS 751 CO 0.79 -0.89 1.80 1.49 -2.00 0.00 0.00 174.74 175.93 2o2p h GLU 752 N 2.11 0.56 -0.74 -0.38 4.81 -1.95 -1.90 114.58 117.08 2o2p h GLU 752 Ca -0.31 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2o2p h GLU 752 Cb 1.28 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 2o2p h GLU 752 CO 0.38 0.37 0.48 0.00 -0.73 0.00 0.00 179.01 179.50 2o2p h ALA 753 N 1.27 1.44 -0.12 2.92 0.00 -1.99 -0.19 119.26 122.58 2o2p h ALA 753 Ca 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2o2p h ALA 753 Cb 0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2o2p h ALA 753 CO -0.14 0.51 0.00 1.25 0.00 0.00 0.00 179.25 180.87 2o2p h HIS 754 N 1.01 0.24 -0.68 0.00 -0.00 -1.85 -2.41 115.15 111.46 2o2p h HIS 754 Ca 0.27 -0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.74 2o2p h HIS 754 Cb -0.09 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.41 27.16 2o2p h HIS 754 CO 0.00 0.45 0.12 1.25 -0.00 0.00 0.00 177.93 179.76 2o2p h LEU 755 N -0.05 -0.06 -0.88 0.26 7.12 -0.77 -1.22 115.31 119.72 2o2p h LEU 755 Ca 0.04 0.14 0.03 0.00 0.13 0.00 0.00 57.88 58.22 2o2p h LEU 755 Cb 0.36 0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 40.64 2o2p h LEU 755 CO 0.01 -0.04 0.57 0.03 -0.13 0.00 0.00 178.44 178.87 2o2p h ARG 756 N 0.23 1.07 -0.69 1.25 3.08 -0.91 -1.63 114.38 116.78 2o2p h ARG 756 Ca 0.37 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.30 2o2p h ARG 756 Cb 0.60 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2o2p h ARG 756 CO -0.49 0.71 0.22 0.87 -1.07 0.00 0.00 179.97 180.21 2o2p h LYS 757 N 1.10 1.06 -0.65 0.04 1.79 -0.75 -1.87 116.57 117.30 2o2p h LYS 757 Ca 0.35 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.51 2o2p h LYS 757 Cb -0.00 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.46 2o2p h LYS 757 CO -0.11 0.91 0.06 -0.07 -1.08 0.00 0.00 179.45 179.15 2o2p h LEU 758 N 1.03 1.07 -0.17 2.94 3.38 -0.68 0.21 115.31 123.09 2o2p h LEU 758 Ca 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2o2p h LEU 758 Cb 0.28 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2o2p h LEU 758 CO -0.01 1.08 0.10 0.58 0.09 0.00 0.00 178.44 180.28 2o2p h VAL 759 N 1.02 1.08 -0.71 1.22 2.07 -1.11 -2.31 116.25 117.51 2o2p h VAL 759 Ca 0.19 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2o2p h VAL 759 Cb 0.50 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 2o2p h VAL 759 CO 0.02 0.07 0.33 -0.33 0.02 0.00 0.00 177.57 177.68 2o2p h GLU 760 N 0.19 1.01 -0.46 1.57 5.08 -0.98 -1.71 114.58 119.28 2o2p h GLU 760 Ca 0.06 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2o2p h GLU 760 Cb 0.03 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2o2p h GLU 760 CO -0.01 0.79 0.29 -0.92 -1.00 0.00 0.00 179.01 178.16 2o2p h TYR 761 N 1.00 0.55 -0.01 4.33 5.03 -0.39 -1.56 116.97 125.93 2o2p h TYR 761 Ca 0.24 0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.39 2o2p h TYR 761 Cb 0.12 -0.18 -0.02 0.00 1.55 0.00 0.00 36.73 38.20 2o2p h TYR 761 CO 0.01 0.33 -0.78 0.00 -1.32 0.00 0.00 178.16 176.40 2o2p h GLN 763 N 0.08 0.64 -0.51 0.00 4.20 -1.01 -1.58 115.11 116.93 2o2p h GLN 763 Ca -0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 2o2p h GLN 763 Cb 1.37 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2o2p h GLN 763 CO 0.11 0.42 -0.12 -0.09 -0.67 0.00 0.00 178.83 178.48 2o2p h ARG 764 N 0.66 0.97 -0.71 1.46 2.43 -0.99 -0.31 114.38 117.89 2o2p h ARG 764 Ca 0.25 -0.36 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2o2p h ARG 764 Cb 0.08 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 2o2p h ARG 764 CO -0.13 1.03 0.41 0.78 -1.51 0.00 0.00 179.97 180.54 2o2p h GLY 765 N 0.95 1.05 0.83 2.80 0.00 -0.86 -0.95 103.07 106.89 2o2p h GLY 765 Ca 0.13 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 2o2p h GLY 765 CO 0.05 0.17 -0.20 -2.08 0.00 0.00 0.00 176.54 174.49 2o2p h VAL 766 N 0.74 1.33 -0.65 4.60 2.07 -1.09 -2.24 116.25 121.02 2o2p h VAL 766 Ca 0.32 -1.36 0.11 0.00 0.82 0.00 0.00 66.70 66.59 2o2p h VAL 766 Cb 0.19 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.64 2o2p h VAL 766 CO -0.18 0.41 0.25 0.50 0.02 0.00 0.00 177.57 178.57 2o2p h LYS 767 N 0.16 0.41 -0.01 1.57 3.64 -0.68 -2.24 116.57 119.43 2o2p h LYS 767 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2o2p h LYS 767 Cb 0.74 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2o2p h LYS 767 CO 0.05 0.27 -0.01 -0.85 -2.27 0.00 0.00 179.45 176.64 2o2p n GLU 768 N -5.00 1.23 0.00 1.90 0.28 -0.39 -4.92 120.64 113.74 2o2p n GLU 768 Ca 0.10 -0.38 0.00 0.00 -0.16 0.00 0.00 57.16 56.72 2o2p n GLU 768 Cb 0.31 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.69 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 1.09 0.93 3.77 -1.84 0.00 -0.84 -5.03 105.19 103.26 2o2p n GLY 769 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 2.54 -0.38 4.61 0.00 -0.85 -4.96 121.76 120.72 2o2p s ALA 770 Ca 0.00 0.68 -0.23 0.00 0.00 0.00 0.00 51.96 52.41 2o2p s ALA 770 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2o2p s ALA 770 CO 0.00 -1.12 0.77 0.99 0.00 0.00 0.00 175.76 176.41 2o2p s THR 771 N -2.09 4.72 -0.55 0.00 2.01 -0.12 -4.59 115.64 115.02 2o2p s THR 771 Ca 0.70 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.17 2o2p s THR 771 Cb -0.22 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.09 2o2p s THR 771 CO 0.36 -0.50 1.12 -0.22 -0.69 0.00 0.00 174.62 174.70 2o2p s LEU 772 N 3.12 3.63 -0.04 4.42 2.96 -1.26 -0.64 118.68 130.87 2o2p s LEU 772 Ca 0.30 0.09 -0.20 0.00 -0.22 0.00 0.00 54.13 54.11 2o2p s LEU 772 Cb -0.13 -3.18 -0.32 0.00 0.50 0.00 0.00 46.19 43.07 2o2p s LEU 772 CO 0.18 -1.37 0.87 0.58 -1.32 0.00 0.00 176.35 175.29 2o2p h VAL 773 N 6.14 1.40 -3.21 1.68 2.07 -1.21 -3.48 116.25 119.65 2o2p h VAL 773 Ca -0.25 -2.56 -0.04 0.00 0.82 0.00 0.00 66.70 64.68 2o2p h VAL 773 Cb 1.06 3.11 -0.12 0.00 -1.52 0.00 0.00 31.29 33.82 2o2p h VAL 773 CO 1.15 0.74 0.06 0.00 0.02 0.00 0.00 177.57 179.54 2o2p n GLY 775 N -0.30 0.48 0.33 0.00 0.00 -1.25 -1.87 105.19 102.58 2o2p n GLY 775 Ca -0.16 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 0.50 3.24 -0.02 0.00 -1.25 -4.96 105.19 102.70 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 0.54 0.00 0.00 0.00 173.32 173.86 2o2p s ASN 777 N -2.79 1.77 0.23 1.61 4.22 -1.26 -4.74 114.94 113.97 2o2p s ASN 777 Ca 0.00 -0.99 -0.30 0.00 -2.14 0.00 0.00 52.86 49.43 2o2p s ASN 777 Cb 0.00 -0.01 -0.10 0.00 1.28 0.00 0.00 41.25 42.42 2o2p s ASN 777 CO 0.00 -0.32 1.46 -1.58 -2.04 0.00 0.00 177.10 174.62 2o2p s GLN 778 N -3.64 4.26 0.12 3.55 0.74 -1.26 -1.17 119.66 122.26 2o2p s GLN 778 Ca 0.15 2.30 -0.31 0.00 0.05 0.00 0.00 55.36 57.55 2o2p s GLN 778 Cb 0.02 -3.12 -0.08 0.00 1.10 0.00 0.00 33.01 30.93 2o2p s GLN 778 CO 0.01 -0.45 1.40 0.08 -0.55 0.00 0.00 175.29 175.78 2o2p s VAL 779 N 0.21 3.27 -0.85 1.34 1.01 -0.00 -4.84 120.40 120.54 2o2p s VAL 779 Ca 0.61 0.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.25 2o2p s VAL 779 Cb -0.42 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 2o2p s VAL 779 CO 0.41 0.07 2.07 -2.84 0.00 0.00 0.00 175.10 174.81 2o2p s PRO 780 N 1.13 2.30 -0.11 2.72 0.02 -1.26 -4.72 135.00 135.09 2o2p s PRO 780 Ca 0.65 -0.00 -0.32 0.00 0.02 0.00 0.00 61.00 61.34 2o2p s PRO 780 Cb -0.37 -4.94 0.12 0.00 0.02 0.00 0.00 34.50 29.33 2o2p s PRO 780 CO 0.30 -3.62 1.06 -0.98 -0.33 0.00 0.00 177.00 173.44 2o2p s ARG 781 N 7.52 0.54 0.90 5.54 1.70 -1.26 -5.16 118.95 128.73 2o2p s ARG 781 Ca 0.76 -0.19 -0.11 0.00 -0.47 0.00 0.00 55.73 55.72 2o2p s ARG 781 Cb -0.09 0.25 0.10 0.00 -0.57 0.00 0.00 34.95 34.64 2o2p s ARG 781 CO 0.03 -0.23 0.92 -2.30 -1.08 0.00 0.00 175.30 172.64 2o2p n PRO 782 N -0.14 -0.29 0.00 3.89 -0.02 -1.26 -4.77 135.00 132.40 2o2p n PRO 782 Ca -0.04 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2o2p n PRO 782 Cb 0.60 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 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 0.72 -1.68 2.69 -1.23 0.00 -1.23 -4.56 105.19 99.90 2o2p n GLY 783 Ca 0.11 -1.51 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 3.09 -3.17 1.61 3.72 -0.18 -4.89 117.46 117.64 2o2p n PHE 784 Ca 0.00 -3.69 -0.39 0.00 -0.05 0.00 0.00 57.45 53.32 2o2p n PHE 784 Cb 0.00 -0.38 -0.06 0.00 -0.94 0.00 0.00 39.48 38.10 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 -3.30 3.83 -0.06 1.38 0.08 -1.26 -0.72 117.98 117.94 2o2p s PHE 785 Ca 0.46 1.40 0.04 0.00 0.12 0.00 0.00 56.93 58.95 2o2p s PHE 785 Cb 0.33 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.19 2o2p s PHE 785 CO -0.13 0.55 -0.17 0.12 -0.10 0.00 0.00 175.22 175.50 2o2p s PHE 786 N -1.15 1.76 0.01 0.36 5.36 -1.26 -0.82 117.98 122.25 2o2p s PHE 786 Ca 0.32 -0.58 -0.30 0.00 -0.96 0.00 0.00 56.93 55.40 2o2p s PHE 786 Cb -0.21 -1.21 -0.06 0.00 -0.34 0.00 0.00 43.02 41.21 2o2p s PHE 786 CO 0.22 -0.23 1.36 -1.14 -1.46 0.00 0.00 175.22 173.96 2o2p s GLN 787 N 0.26 4.31 0.11 10.12 2.00 -0.32 -4.84 119.66 131.30 2o2p s GLN 787 Ca -0.09 1.93 -0.36 0.00 -2.00 0.00 0.00 55.36 54.84 2o2p s GLN 787 Cb -0.14 -3.51 -0.16 0.00 0.80 0.00 0.00 33.01 30.00 2o2p s GLN 787 CO 0.04 -0.51 1.38 -2.30 -0.50 0.00 0.00 175.29 173.39 2o2p n PRO 788 N 5.03 1.36 -5.27 1.67 -0.02 -1.26 -3.82 135.00 132.70 2o2p n PRO 788 Ca 0.12 0.49 -0.30 0.00 -2.02 0.00 0.00 63.50 61.79 2o2p n PRO 788 Cb 0.44 -2.15 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 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 0.54 1.99 -0.11 3.45 2.01 -0.13 -3.90 115.64 119.49 2o2p s THR 789 Ca 0.83 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.75 2o2p s THR 789 Cb -0.89 -1.65 0.02 0.00 0.01 0.00 0.00 72.50 69.99 2o2p s THR 789 CO 0.45 0.56 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.16 2o2p s VAL 790 N -0.56 1.11 -0.09 3.82 1.01 -0.78 -0.32 120.40 124.59 2o2p s VAL 790 Ca 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 2o2p s VAL 790 Cb -0.10 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 2o2p s VAL 790 CO -0.01 0.38 -0.01 -0.36 0.00 0.00 0.00 175.10 175.10 2o2p s PHE 791 N 1.47 3.11 0.48 5.22 0.08 0.82 -0.57 117.98 128.60 2o2p s PHE 791 Ca 0.01 0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2o2p s PHE 791 Cb -0.13 -1.80 -0.01 0.00 -0.57 0.00 0.00 43.02 40.51 2o2p s PHE 791 CO -0.06 0.39 0.08 0.25 -0.10 0.00 0.00 175.22 175.78 2o2p n THR 792 N 2.34 0.00 -3.61 0.64 -2.24 0.18 -1.12 114.28 110.47 2o2p n THR 792 Ca -0.18 -2.50 -0.27 0.00 -2.27 0.00 0.00 64.05 58.83 2o2p n THR 792 Cb 0.53 0.71 0.02 0.00 -2.10 0.00 0.00 70.33 69.50 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 -1.41 -4.88 -4.67 3.42 10.43 -1.21 -0.95 116.55 117.27 2o2p n ASP 793 Ca -0.14 -0.59 -0.41 0.00 2.57 0.00 0.00 54.79 56.23 2o2p n ASP 793 Cb 0.65 -3.93 -0.04 0.00 1.84 0.00 0.00 41.12 39.65 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 -3.19 4.89 0.11 2.53 1.01 -1.11 -4.53 120.40 120.11 2o2p s VAL 794 Ca 0.54 1.62 0.02 0.00 0.00 0.00 0.00 61.98 64.17 2o2p s VAL 794 Cb -0.27 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2o2p s VAL 794 CO 0.66 0.04 0.18 -1.61 0.00 0.00 0.00 175.10 174.38 2o2p s GLU 795 N 2.03 3.19 0.53 2.72 0.41 -1.26 -4.52 118.70 121.81 2o2p s GLU 795 Ca 0.38 -0.63 0.23 0.00 -0.41 0.00 0.00 54.97 54.54 2o2p s GLU 795 Cb -0.17 -2.86 1.38 0.00 -1.78 0.00 0.00 34.13 30.70 2o2p s GLU 795 CO 0.13 0.55 2.06 -0.44 -0.49 0.00 0.00 175.26 177.07 2o2p h ASP 796 N 2.75 0.00 1.25 -0.19 3.45 -1.96 -2.01 116.42 119.71 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 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2o2p h ASP 796 CO 0.69 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.36 2o2p n HIS 797 N -4.37 0.87 -2.26 4.55 1.44 -1.26 -4.73 115.22 109.46 2o2p n HIS 797 Ca 0.05 0.28 -0.37 0.00 -2.01 0.00 0.00 57.72 55.66 2o2p n HIS 797 Cb 0.40 -0.95 -0.01 0.00 0.12 0.00 0.00 29.99 29.55 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 -3.16 3.82 0.22 -1.40 -1.94 -0.75 -4.95 119.30 111.15 2o2p s MET 798 Ca 0.09 1.80 -0.08 0.00 -1.71 0.00 0.00 55.69 55.78 2o2p s MET 798 Cb 0.12 -2.47 0.35 0.00 2.01 0.00 0.00 34.83 34.84 2o2p s MET 798 CO 0.53 -0.50 1.70 -0.92 -0.01 0.00 0.00 175.02 175.82 2o2p h TYR 799 N 2.18 0.21 0.00 -0.03 5.03 -1.90 -1.01 116.97 121.45 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 1.24 0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.53 2o2p h TYR 799 CO 0.54 -0.06 0.00 0.44 -1.32 0.00 0.00 178.16 177.76 2o2p n ILE 800 N -5.15 0.79 0.66 1.81 -5.35 -1.26 -0.51 119.36 110.35 2o2p n ILE 800 Ca 0.11 0.18 0.12 0.00 -0.27 0.00 0.00 62.75 62.89 2o2p n ILE 800 Cb 0.37 -0.93 0.29 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.57 2.71 -0.06 -1.28 0.00 -0.40 -4.45 120.51 115.47 2o2p n ALA 801 Ca 0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 2o2p n ALA 801 Cb 0.22 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 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 -2.07 0.52 -3.43 0.00 5.02 -0.24 -4.99 118.16 112.97 2o2p n LYS 802 Ca 0.05 0.06 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 2o2p n LYS 802 Cb 0.42 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.23 3.95 -0.11 1.97 2.56 0.33 -4.88 118.70 120.28 2o2p s GLU 803 Ca -0.14 0.44 -0.30 0.00 0.00 0.00 0.00 54.97 54.97 2o2p s GLU 803 Cb 0.04 -3.06 -0.01 0.00 2.00 0.00 0.00 34.13 33.10 2o2p s GLU 803 CO 0.28 0.57 1.04 -2.00 -0.56 0.00 0.00 175.26 174.58 2o2p s GLU 804 N -1.62 4.39 0.02 4.30 2.12 -1.26 -4.83 118.70 121.82 2o2p s GLU 804 Ca 0.32 1.42 -0.10 0.00 0.36 0.00 0.00 54.97 56.98 2o2p s GLU 804 Cb -0.16 -3.56 -0.32 0.00 0.26 0.00 0.00 34.13 30.36 2o2p s GLU 804 CO 0.18 -0.37 0.92 0.66 -0.54 0.00 0.00 175.26 176.11 2o2p h SER 805 N 7.19 0.63 -2.96 -1.70 4.64 -1.95 -3.48 113.55 115.92 2o2p h SER 805 Ca -0.30 -0.76 -0.42 0.00 -0.47 0.00 0.00 61.79 59.84 2o2p h SER 805 Cb 1.14 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 2o2p h SER 805 CO 0.87 1.61 -0.54 0.33 -0.87 0.00 0.00 176.83 178.24 2o2p n PHE 806 N -3.60 -0.98 -4.27 4.77 7.35 -1.26 -4.88 117.46 114.58 2o2p n PHE 806 Ca -0.17 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.33 2o2p n PHE 806 Cb 1.07 -3.99 -0.08 0.00 0.35 0.00 0.00 39.48 36.84 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 -2.06 2.30 -1.44 7.13 0.00 -1.20 -3.81 107.32 108.24 2o2p s GLY 807 Ca 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 44.72 42.55 2o2p s GLY 807 CO 0.00 -1.44 2.29 -1.55 0.00 0.00 0.00 173.10 172.40 2o2p n PRO 808 N -0.63 3.28 -3.85 2.90 -0.04 -1.20 -4.50 135.00 130.96 2o2p n PRO 808 Ca 0.07 -2.79 -0.30 0.00 -0.04 0.00 0.00 63.50 60.45 2o2p n PRO 808 Cb 0.62 -3.08 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 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 2.12 1.19 -0.12 0.52 1.01 -1.26 -0.95 121.20 123.71 2o2p s ILE 809 Ca 0.50 -1.20 -0.24 0.00 0.00 0.00 0.00 60.65 59.71 2o2p s ILE 809 Cb 0.14 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2o2p s ILE 809 CO -0.06 -0.31 0.74 -0.32 0.00 0.00 0.00 174.94 174.98 2o2p s MET 810 N 1.52 4.35 -0.31 2.79 1.75 0.56 -4.96 119.30 125.00 2o2p s MET 810 Ca 0.01 0.88 0.02 0.00 -1.25 0.00 0.00 55.69 55.35 2o2p s MET 810 Cb -0.18 -3.52 0.09 0.00 2.84 0.00 0.00 34.83 34.07 2o2p s MET 810 CO -0.11 -0.13 0.04 0.42 -0.65 0.00 0.00 175.02 174.58 2o2p s ILE 811 N 1.47 1.82 -0.16 10.11 1.01 -1.26 -0.13 121.20 134.06 2o2p s ILE 811 Ca 0.36 -1.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.08 2o2p s ILE 811 Cb -0.17 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2o2p s ILE 811 CO 0.15 -0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 173.91 2o2p s ILE 812 N 1.16 3.79 0.14 2.92 1.01 -0.27 -0.67 121.20 129.28 2o2p s ILE 812 Ca 0.07 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.43 2o2p s ILE 812 Cb -0.19 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2o2p s ILE 812 CO -0.12 0.48 -0.24 -0.44 0.00 0.00 0.00 174.94 174.62 2o2p s SER 813 N 0.51 3.12 0.40 3.58 0.01 0.13 -2.76 113.70 118.68 2o2p s SER 813 Ca -0.03 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 56.41 2o2p s SER 813 Cb -0.14 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2o2p s SER 813 CO 0.03 0.13 0.69 -0.13 0.41 0.00 0.00 173.24 174.36 2o2p s ARG 814 N -2.18 3.59 0.03 12.44 0.52 -1.26 -0.69 118.95 131.39 2o2p s ARG 814 Ca 0.14 0.10 0.01 0.00 -0.52 0.00 0.00 55.73 55.45 2o2p s ARG 814 Cb -0.09 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 2o2p s ARG 814 CO 0.06 -0.02 -0.04 -0.59 0.02 0.00 0.00 175.30 174.73 2o2p s PHE 815 N -2.46 0.36 0.40 -0.53 -0.71 -0.92 -4.77 117.98 109.36 2o2p s PHE 815 Ca 0.46 -0.52 -0.26 0.00 -1.04 0.00 0.00 56.93 55.57 2o2p s PHE 815 Cb -0.10 -0.24 -0.09 0.00 -1.21 0.00 0.00 43.02 41.38 2o2p s PHE 815 CO 0.38 -0.16 1.31 0.00 -1.34 0.00 0.00 175.22 175.41 2o2p s ALA 816 N -1.43 3.30 0.17 1.99 0.00 -1.26 -0.21 121.76 124.31 2o2p s ALA 816 Ca -0.14 1.26 -0.34 0.00 0.00 0.00 0.00 51.96 52.74 2o2p s ALA 816 Cb -0.10 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.38 2o2p s ALA 816 CO -0.01 -0.82 1.45 -0.25 0.00 0.00 0.00 175.76 176.13 2o2p n ASP 817 N 0.20 2.56 0.00 0.00 8.00 -1.26 -1.55 116.55 124.51 2o2p n ASP 817 Ca 0.03 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.64 2o2p n ASP 817 Cb 0.43 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 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 2.77 2.21 3.75 0.44 0.00 -1.26 -5.01 105.19 108.08 2o2p n GLY 818 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2o2p n GLY 818 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2o2p s ASP 819 N -3.51 7.31 0.13 1.61 -0.00 -0.59 -4.89 116.67 116.73 2o2p s ASP 819 Ca 0.00 2.14 0.00 0.00 -0.00 0.00 0.00 52.55 54.69 2o2p s ASP 819 Cb 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 42.92 40.31 2o2p s ASP 819 CO 0.00 -0.15 0.00 0.52 -0.00 0.00 0.00 175.17 175.54 2o2p n VAL 820 N 1.83 0.39 -0.05 -1.27 0.31 -1.26 -4.76 118.33 113.53 2o2p n VAL 820 Ca 0.01 0.13 0.01 0.00 -0.01 0.00 0.00 64.34 64.48 2o2p n VAL 820 Cb 0.46 -1.02 0.32 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.31 4.52 3.32 -1.99 -1.08 116.42 121.46 2o2p h ASP 821 Ca 0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2o2p h ASP 821 Cb 0.18 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2o2p h ASP 821 CO 0.00 0.52 0.07 0.00 -1.72 0.00 0.00 179.24 178.12 2o2p h ALA 822 N 1.57 0.41 -0.15 3.45 0.00 -1.97 -1.40 119.26 121.17 2o2p h ALA 822 Ca 0.16 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2o2p h ALA 822 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2o2p h ALA 822 CO -0.02 0.07 -0.48 -0.24 0.00 0.00 0.00 179.25 178.58 2o2p h VAL 823 N 0.34 1.33 -0.54 0.00 3.04 -1.79 -2.81 116.25 115.82 2o2p h VAL 823 Ca 0.10 -1.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.09 2o2p h VAL 823 Cb 0.29 1.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.29 2o2p h VAL 823 CO 0.00 0.52 0.35 -0.07 -1.01 0.00 0.00 177.57 177.36 2o2p h LEU 824 N 0.31 0.62 -0.58 3.16 3.38 -1.04 0.32 115.31 121.48 2o2p h LEU 824 Ca 0.02 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2o2p h LEU 824 Cb 0.96 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2o2p h LEU 824 CO 0.08 0.45 0.29 0.28 0.09 0.00 0.00 178.44 179.63 2o2p h SER 825 N 0.73 0.39 -0.54 -0.43 0.02 -1.10 0.96 113.55 113.59 2o2p h SER 825 Ca 0.20 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 2o2p h SER 825 Cb -0.08 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2o2p h SER 825 CO -0.04 0.26 0.08 0.03 -1.14 0.00 0.00 176.83 176.02 2o2p h ARG 826 N 0.54 0.90 -0.33 3.45 3.08 -1.21 -2.28 114.38 118.53 2o2p h ARG 826 Ca 0.26 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 2o2p h ARG 826 Cb 0.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2o2p h ARG 826 CO -0.19 0.88 -0.03 0.00 -1.07 0.00 0.00 179.97 179.55 2o2p h ALA 827 N 0.99 1.34 -0.01 0.04 0.00 -0.41 -2.86 119.26 118.35 2o2p h ALA 827 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2o2p h ALA 827 Cb 0.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2o2p h ALA 827 CO 0.01 0.45 -0.06 0.09 0.00 0.00 0.00 179.25 179.74 2o2p n ASN 828 N -4.26 1.16 0.00 0.00 3.02 0.29 -4.42 115.26 111.05 2o2p n ASN 828 Ca 0.01 -1.25 0.06 0.00 -0.03 0.00 0.00 54.58 53.38 2o2p n ASN 828 Cb 0.26 0.02 0.31 0.00 -0.61 0.00 0.00 39.78 39.76 2o2p n ASN 828 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2o2p n ALA 829 N -0.21 1.71 -2.16 5.41 0.00 -0.87 -4.80 120.51 119.59 2o2p n ALA 829 Ca 0.18 -0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2o2p n ALA 829 Cb 0.32 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2o2p n ALA 829 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2o2p s THR 830 N -2.68 4.77 -1.39 0.00 -1.32 -1.26 -4.96 115.64 108.79 2o2p s THR 830 Ca 0.11 0.64 0.29 0.00 -1.21 0.00 0.00 61.69 61.52 2o2p s THR 830 Cb 0.09 -3.74 0.38 0.00 -1.51 0.00 0.00 72.50 67.72 2o2p s THR 830 CO 0.21 -0.56 1.88 -0.62 -2.21 0.00 0.00 174.62 173.32 2o2p n GLU 831 N -1.39 0.41 -2.02 7.08 -0.58 -1.26 -4.85 120.64 118.03 2o2p n GLU 831 Ca 0.03 -0.10 -0.28 0.00 -0.42 0.00 0.00 57.16 56.38 2o2p n GLU 831 Cb 0.54 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.97 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 -2.66 3.12 -0.30 -0.32 0.08 -1.26 -0.23 117.98 116.41 2o2p s PHE 832 Ca 0.24 0.79 0.06 0.00 0.12 0.00 0.00 56.93 58.14 2o2p s PHE 832 Cb 0.20 -3.18 0.24 0.00 -0.57 0.00 0.00 43.02 39.70 2o2p s PHE 832 CO 0.51 -1.36 1.18 0.41 -0.10 0.00 0.00 175.22 175.85 2o2p n GLY 833 N -3.03 0.54 0.08 4.36 0.00 -1.21 -4.78 105.19 101.15 2o2p n GLY 833 Ca 0.07 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 1.20 0.00 -8.75 0.99 5.85 -1.81 -0.15 115.31 112.63 2o2p h LEU 834 Ca -0.36 -0.32 -0.40 0.00 0.84 0.00 0.00 57.88 57.64 2o2p h LEU 834 Cb 1.23 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 2o2p h LEU 834 CO -0.13 1.10 -0.35 0.00 -0.34 0.00 0.00 178.44 178.71 2o2p s ALA 835 N -2.50 1.43 -0.05 1.25 0.00 -1.26 -2.16 121.76 118.47 2o2p s ALA 835 Ca -0.20 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 49.58 2o2p s ALA 835 Cb 0.03 1.34 0.13 0.00 0.00 0.00 0.00 23.12 24.62 2o2p s ALA 835 CO 0.41 -0.72 1.30 -1.54 0.00 0.00 0.00 175.76 175.21 2o2p s SER 836 N -3.33 -0.06 0.15 0.00 1.04 -0.59 -3.99 113.70 106.94 2o2p s SER 836 Ca 0.37 -0.11 -0.21 0.00 0.48 0.00 0.00 55.95 56.48 2o2p s SER 836 Cb 0.01 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.33 2o2p s SER 836 CO 0.25 -0.25 0.54 -0.83 0.98 0.00 0.00 173.24 173.92 2o2p s GLY 837 N -2.89 -0.49 -0.07 7.32 0.00 0.03 -1.25 107.32 109.96 2o2p s GLY 837 Ca 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 45.11 2o2p s GLY 837 CO -0.04 -0.00 0.17 0.54 0.00 0.00 0.00 173.10 173.76 2o2p s VAL 838 N -3.77 -0.04 -0.23 1.40 0.11 -0.18 -0.87 120.40 116.82 2o2p s VAL 838 Ca 0.02 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.18 2o2p s VAL 838 Cb -0.00 -0.27 -0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2o2p s VAL 838 CO -0.12 0.06 -0.05 -0.36 -3.33 0.00 0.00 175.10 171.30 2o2p s PHE 839 N 0.99 2.97 -0.22 1.54 0.08 -0.12 -1.14 117.98 122.09 2o2p s PHE 839 Ca -0.08 -1.06 -0.27 0.00 0.12 0.00 0.00 56.93 55.64 2o2p s PHE 839 Cb -0.09 -2.10 0.12 0.00 -0.57 0.00 0.00 43.02 40.38 2o2p s PHE 839 CO -0.05 -0.59 0.97 -0.08 -0.10 0.00 0.00 175.22 175.37 2o2p s THR 840 N 1.45 0.00 -1.20 0.64 -1.32 -1.26 -1.51 115.64 112.44 2o2p s THR 840 Ca 0.05 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.81 2o2p s THR 840 Cb -0.15 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.08 2o2p s THR 840 CO -0.04 0.00 1.75 0.54 -2.21 0.00 0.00 174.62 174.66 2o2p n ARG 841 N 1.57 0.21 -2.84 7.08 1.74 -1.10 -4.83 116.66 118.49 2o2p n ARG 841 Ca -0.12 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.46 2o2p n ARG 841 Cb 0.57 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.84 6.52 0.25 0.55 3.68 -1.26 -4.94 116.67 118.63 2o2p s ASP 842 Ca 0.18 0.18 -0.04 0.00 2.13 0.00 0.00 52.55 54.99 2o2p s ASP 842 Cb 0.19 -2.44 0.37 0.00 -1.45 0.00 0.00 42.92 39.58 2o2p s ASP 842 CO 0.57 -1.00 1.85 -0.29 0.13 0.00 0.00 175.17 176.42 2o2p h ILE 843 N 6.02 1.02 -0.41 4.11 2.10 -1.99 -0.84 117.51 127.51 2o2p h ILE 843 Ca -0.24 -0.33 -0.03 0.00 1.08 0.00 0.00 64.86 65.33 2o2p h ILE 843 Cb 1.08 -0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.75 2o2p h ILE 843 CO 1.01 0.18 0.13 0.78 -1.08 0.00 0.00 178.15 179.16 2o2p h ASN 844 N 0.97 0.60 -0.40 2.19 4.21 -2.00 -1.36 115.58 119.79 2o2p h ASN 844 Ca 0.39 -0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.68 2o2p h ASN 844 Cb 0.23 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 2o2p h ASN 844 CO -0.19 0.65 0.18 0.11 -1.29 0.00 0.00 177.43 176.88 2o2p h LYS 845 N 0.52 0.59 -0.23 0.81 1.57 -1.90 -1.83 116.57 116.09 2o2p h LYS 845 Ca 0.13 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2o2p h LYS 845 Cb 0.26 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2o2p h LYS 845 CO -0.00 0.54 -0.02 0.00 -0.57 0.00 0.00 179.45 179.39 2o2p h ALA 846 N 1.02 0.19 -0.33 3.86 0.00 -0.94 0.70 119.26 123.75 2o2p h ALA 846 Ca 0.14 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 2o2p h ALA 846 Cb 0.15 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2o2p h ALA 846 CO -0.01 -0.44 -0.30 -0.07 0.00 0.00 0.00 179.25 178.43 2o2p h LEU 847 N 0.05 0.83 -0.15 0.00 3.38 -1.22 -1.36 115.31 116.83 2o2p h LEU 847 Ca 0.11 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 2o2p h LEU 847 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2o2p h LEU 847 CO -0.20 1.12 0.08 0.22 0.09 0.00 0.00 178.44 179.75 2o2p h TYR 848 N 0.55 0.21 -0.92 1.13 3.20 -1.21 -1.94 116.97 117.99 2o2p h TYR 848 Ca 0.06 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2o2p h TYR 848 Cb 0.87 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2o2p h TYR 848 CO 0.07 0.21 0.52 0.28 -1.64 0.00 0.00 178.16 177.60 2o2p h VAL 849 N 0.15 1.26 -0.21 1.81 2.07 -0.84 -1.77 116.25 118.72 2o2p h VAL 849 Ca 0.05 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.87 2o2p h VAL 849 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2o2p h VAL 849 CO -0.01 0.29 -0.22 0.77 0.02 0.00 0.00 177.57 178.42 2o2p h SER 850 N 1.28 0.37 -0.50 0.57 4.64 -1.08 -1.05 113.55 117.78 2o2p h SER 850 Ca 0.32 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.52 2o2p h SER 850 Cb 0.00 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2o2p h SER 850 CO -0.05 0.60 0.24 0.44 -0.87 0.00 0.00 176.83 177.19 2o2p h ASP 851 N 0.34 0.66 1.54 4.97 3.32 -0.83 -3.31 116.42 123.10 2o2p h ASP 851 Ca 0.06 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2o2p h ASP 851 Cb 0.58 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2o2p h ASP 851 CO 0.04 0.60 -0.47 0.11 -1.72 0.00 0.00 179.24 177.81 2o2p h LYS 852 N 0.67 0.00 -6.53 3.56 1.79 -0.71 -3.45 116.57 111.89 2o2p h LYS 852 Ca 0.17 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.11 2o2p h LYS 852 Cb 0.12 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2o2p h LYS 852 CO -0.02 0.04 0.71 -0.51 -1.08 0.00 0.00 179.45 178.58 2o2p s LEU 853 N -5.88 4.37 -1.18 2.94 1.43 -0.45 -4.92 118.68 114.97 2o2p s LEU 853 Ca 0.04 2.28 -0.06 0.00 -1.03 0.00 0.00 54.13 55.36 2o2p s LEU 853 Cb 0.07 -3.58 0.23 0.00 0.03 0.00 0.00 46.19 42.94 2o2p s LEU 853 CO 0.73 -0.63 1.81 0.00 0.23 0.00 0.00 176.35 178.48 2o2p n GLN 854 N 3.99 4.30 -3.85 1.70 1.13 -1.26 -4.92 117.38 118.47 2o2p n GLN 854 Ca 0.11 -4.03 -0.12 0.00 -1.94 0.00 0.00 57.00 51.03 2o2p n GLN 854 Cb 0.43 -2.68 -0.10 0.00 0.11 0.00 0.00 30.24 28.00 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 -1.57 -0.39 0.35 -1.58 0.00 -1.26 -4.54 121.76 112.76 2o2p s ALA 855 Ca 0.38 0.05 0.27 0.00 0.00 0.00 0.00 51.96 52.66 2o2p s ALA 855 Cb 0.10 0.01 1.33 0.00 0.00 0.00 0.00 23.12 24.57 2o2p s ALA 855 CO 0.01 -0.18 2.02 0.78 0.00 0.00 0.00 175.76 178.38 2o2p h GLY 856 N 4.61 0.00 -5.50 0.00 0.00 -1.01 -3.42 103.07 97.75 2o2p h GLY 856 Ca -0.29 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.65 2o2p h GLY 856 CO 0.40 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.58 2o2p s THR 857 N -4.07 0.64 -0.13 4.70 2.01 -0.92 -4.75 115.64 113.12 2o2p s THR 857 Ca -0.02 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.69 2o2p s THR 857 Cb 0.12 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2o2p s THR 857 CO 0.60 0.20 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.89 2o2p s VAL 858 N 0.10 1.56 -0.09 3.82 1.01 -1.26 -1.54 120.40 124.00 2o2p s VAL 858 Ca -0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2o2p s VAL 858 Cb -0.06 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2o2p s VAL 858 CO -0.00 0.46 0.25 -0.36 0.00 0.00 0.00 175.10 175.45 2o2p s PHE 859 N 1.30 3.61 -0.23 5.22 0.08 -0.38 -4.97 117.98 122.61 2o2p s PHE 859 Ca 0.01 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.76 2o2p s PHE 859 Cb -0.14 -2.13 0.05 0.00 -0.57 0.00 0.00 43.02 40.23 2o2p s PHE 859 CO -0.07 0.60 -0.13 0.42 -0.10 0.00 0.00 175.22 175.93 2o2p s ILE 860 N -0.72 2.08 -1.78 0.64 1.01 -1.26 -1.01 121.20 120.16 2o2p s ILE 860 Ca 0.18 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2o2p s ILE 860 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.24 2o2p s ILE 860 CO 0.07 0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.75 2o2p n ASN 861 N 4.51 -5.63 -2.99 3.58 3.02 -0.29 -4.94 115.26 112.52 2o2p n ASN 861 Ca -0.16 0.07 -0.08 0.00 -0.03 0.00 0.00 54.58 54.38 2o2p n ASN 861 Cb 0.45 -4.70 0.02 0.00 -0.61 0.00 0.00 39.78 34.94 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 -2.95 0.00 0.04 3.41 -1.32 -1.26 -5.08 115.64 108.48 2o2p s THR 862 Ca 0.00 -0.98 -0.25 0.00 -1.21 0.00 0.00 61.69 59.25 2o2p s THR 862 Cb 0.00 -2.84 0.06 0.00 -1.51 0.00 0.00 72.50 68.21 2o2p s THR 862 CO 0.00 0.00 0.57 -0.47 -2.21 0.00 0.00 174.62 172.51 2o2p s TYR 863 N -2.37 -0.50 -1.67 9.09 5.04 -1.26 -4.76 117.35 120.91 2o2p s TYR 863 Ca 0.15 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.39 2o2p s TYR 863 Cb -0.05 0.40 0.00 0.00 0.35 0.00 0.00 41.96 42.66 2o2p s TYR 863 CO 0.11 -0.67 0.00 0.09 -1.34 0.00 0.00 175.55 173.74 2o2p n ASN 864 N 0.39 -5.09 -4.13 4.32 3.02 -1.26 -4.91 115.26 107.59 2o2p n ASN 864 Ca -0.18 0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 54.33 2o2p n ASN 864 Cb 0.60 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 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 -2.29 3.48 -2.51 3.52 3.00 -1.26 -4.97 118.16 117.13 2o2p n LYS 865 Ca -0.16 -3.62 -0.27 0.00 -0.00 0.00 0.00 58.31 54.26 2o2p n LYS 865 Cb 0.55 -3.01 0.01 0.00 0.00 0.00 0.00 35.03 32.58 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 1.12 4.44 -0.14 3.15 -4.23 -1.26 -5.10 115.64 113.61 2o2p s THR 866 Ca 0.42 0.16 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 2o2p s THR 866 Cb 0.04 -3.71 0.05 0.00 1.34 0.00 0.00 72.50 70.22 2o2p s THR 866 CO 0.00 -0.73 0.48 -0.62 -0.54 0.00 0.00 174.62 173.22 2o2p s ASP 867 N -4.18 -0.48 0.65 3.99 -1.08 -1.26 -5.04 116.67 109.27 2o2p s ASP 867 Ca 0.50 0.81 0.43 0.00 -0.52 0.00 0.00 52.55 53.78 2o2p s ASP 867 Cb -0.10 0.84 2.36 0.00 -1.46 0.00 0.00 42.92 44.56 2o2p s ASP 867 CO 0.45 -0.26 2.33 -0.37 0.52 0.00 0.00 175.17 177.84 2o2p h VAL 868 N 4.14 0.00 -0.00 1.11 -1.51 -1.94 -0.21 116.25 117.84 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 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 2o2p h VAL 868 CO 0.25 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 176.16 2o2p n ALA 869 N -2.06 3.41 -3.09 5.19 0.00 -1.26 -0.76 120.51 121.94 2o2p n ALA 869 Ca -0.03 -0.36 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 2o2p n ALA 869 Cb 0.07 -1.13 -0.12 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.88 3.13 0.55 0.00 0.00 -0.09 -3.98 121.76 118.49 2o2p s ALA 870 Ca 0.14 -1.29 -0.21 0.00 0.00 0.00 0.00 51.96 50.60 2o2p s ALA 870 Cb 0.18 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 2o2p s ALA 870 CO 0.65 -0.71 1.26 -1.25 0.00 0.00 0.00 175.76 175.71 2o2p s PRO 871 N 1.57 3.19 -0.16 0.00 0.04 -1.26 -4.38 135.00 134.00 2o2p s PRO 871 Ca 0.05 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.05 2o2p s PRO 871 Cb -0.16 -2.16 0.05 0.00 0.04 0.00 0.00 34.50 32.27 2o2p s PRO 871 CO 0.03 -1.07 0.03 0.12 0.04 0.00 0.00 177.00 176.15 2o2p s PHE 872 N -1.46 0.87 -0.08 0.56 5.36 0.54 -4.96 117.98 118.82 2o2p s PHE 872 Ca 0.72 -0.63 -0.32 0.00 -0.96 0.00 0.00 56.93 55.74 2o2p s PHE 872 Cb -0.34 -0.94 0.12 0.00 -0.34 0.00 0.00 43.02 41.52 2o2p s PHE 872 CO 0.39 -0.53 1.21 0.20 -1.46 0.00 0.00 175.22 175.04 2o2p s GLY 873 N 1.91 -0.35 0.41 13.12 0.00 -1.26 -1.03 107.32 120.11 2o2p s GLY 873 Ca 0.01 1.04 0.08 0.00 0.00 0.00 0.00 44.72 45.85 2o2p s GLY 873 CO -0.07 0.29 0.41 -0.32 0.00 0.00 0.00 173.10 173.41 2o2p s GLY 874 N -2.62 2.08 0.43 0.20 0.00 -1.26 -4.15 107.32 101.99 2o2p s GLY 874 Ca 0.12 -1.83 0.07 0.00 0.00 0.00 0.00 44.72 43.07 2o2p s GLY 874 CO -0.04 -1.65 0.21 -1.36 0.00 0.00 0.00 173.10 170.26 2o2p s PHE 875 N -2.44 2.52 0.00 1.90 0.08 -0.18 -4.11 117.98 115.75 2o2p s PHE 875 Ca 0.49 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.93 2o2p s PHE 875 Cb -0.05 -1.97 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 2o2p s PHE 875 CO 0.29 0.11 0.00 1.63 -0.10 0.00 0.00 175.22 177.15 2o2p n LYS 876 N -1.31 0.00 -0.03 0.44 5.02 -1.26 -1.63 118.16 119.40 2o2p n LYS 876 Ca -0.01 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 0.34 0.00 -0.02 0.00 0.00 35.03 36.00 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 1.20 0.02 1.97 6.02 0.68 -2.48 117.38 138.79 2o2p n GLN 877 Ca 0.00 -0.31 0.11 0.00 -0.01 0.00 0.00 57.00 56.80 2o2p n GLN 877 Cb 0.00 -1.23 0.49 0.00 1.02 0.00 0.00 30.24 30.52 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 -0.40 0.10 0.00 1.08 7.64 -0.64 -4.68 113.62 116.72 2o2p n SER 878 Ca 0.11 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.50 2o2p n SER 878 Cb 0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 0.91 0.24 3.53 0.23 0.00 -1.03 -0.54 105.19 108.53 2o2p n GLY 879 Ca 0.05 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.36 0.00 1.61 -0.12 -0.38 -4.20 117.98 114.53 2o2p s PHE 880 Ca 0.00 0.17 0.00 0.00 -0.05 0.00 0.00 56.93 57.05 2o2p s PHE 880 Cb 0.00 0.57 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 2o2p s PHE 880 CO 0.00 -0.69 0.00 0.41 -0.05 0.00 0.00 175.22 174.89 2o2p n GLY 881 N -0.32 -0.17 3.48 1.99 0.00 -1.26 -1.94 105.19 106.97 2o2p n GLY 881 Ca -0.10 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.86 2.35 0.12 1.61 -0.14 -1.26 -4.33 119.74 114.23 2o2p s LYS 882 Ca 0.00 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 53.83 2o2p s LYS 882 Cb 0.00 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 2o2p s LYS 882 CO 0.00 0.59 0.22 -0.51 -0.76 0.00 0.00 175.35 174.89 2o2p s ASP 883 N -1.08 6.11 0.21 2.83 1.01 -0.20 -4.20 116.67 121.35 2o2p s ASP 883 Ca 0.13 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.52 2o2p s ASP 883 Cb -0.11 -1.79 0.00 0.00 1.01 0.00 0.00 42.92 42.03 2o2p s ASP 883 CO 0.03 0.09 0.00 0.18 0.21 0.00 0.00 175.17 175.69 2o2p n LEU 884 N -0.22 -0.41 -0.55 1.23 4.77 -1.26 -0.34 117.00 120.22 2o2p n LEU 884 Ca -0.07 0.86 0.07 0.00 -0.03 0.00 0.00 56.01 56.84 2o2p n LEU 884 Cb 0.53 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2o2p n LEU 884 CO 0.48 -0.61 -0.15 0.61 -1.33 0.00 0.00 177.39 176.40 2o2p n GLY 885 N -2.56 -1.94 0.37 -0.72 0.00 0.06 -3.04 105.19 97.36 2o2p n GLY 885 Ca -0.02 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.52 0.87 -0.65 1.61 4.81 -1.89 -2.58 114.58 116.25 2o2p h GLU 886 Ca -0.02 -0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 2o2p h GLU 886 Cb 0.51 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2o2p h GLU 886 CO 0.01 0.58 0.44 0.00 -0.73 0.00 0.00 179.01 179.31 2o2p h ALA 887 N 1.56 2.17 -0.22 2.92 0.00 -1.94 -1.59 119.26 122.16 2o2p h ALA 887 Ca 0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.37 2o2p h ALA 887 Cb 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2o2p h ALA 887 CO -0.25 -0.33 0.06 0.00 0.00 0.00 0.00 179.25 178.73 2o2p h ALA 888 N 1.69 1.70 -0.31 0.00 0.00 -1.37 -2.38 119.26 118.58 2o2p h ALA 888 Ca 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2o2p h ALA 888 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2o2p h ALA 888 CO -0.08 0.24 0.17 -0.07 0.00 0.00 0.00 179.25 179.51 2o2p h LEU 889 N 0.31 0.37 -1.86 0.00 3.38 -1.44 -2.57 115.31 113.49 2o2p h LEU 889 Ca 0.08 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2o2p h LEU 889 Cb 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2o2p h LEU 889 CO -0.00 0.30 -0.09 0.78 0.09 0.00 0.00 178.44 179.51 2o2p h ASN 890 N 0.43 0.00 0.65 -0.43 2.35 -1.56 -0.00 115.58 117.01 2o2p h ASN 890 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2o2p h ASN 890 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2o2p h ASN 890 CO -0.02 0.09 -0.01 -0.33 -1.65 0.00 0.00 177.43 175.51 2o2p h GLU 891 N 0.00 0.00 -0.08 0.81 4.39 -1.60 -3.13 114.58 114.96 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 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2o2p h GLU 891 CO 0.01 0.01 0.00 0.66 -1.16 0.00 0.00 179.01 178.54 2o2p n TYR 892 N -3.13 0.13 -4.38 4.33 4.01 -0.05 -5.00 117.16 113.06 2o2p n TYR 892 Ca -0.01 -0.57 -0.21 0.00 -0.16 0.00 0.00 57.90 56.95 2o2p n TYR 892 Cb 0.23 -0.07 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 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 -1.27 2.54 0.21 7.72 1.43 -0.98 -3.12 118.68 125.21 2o2p s LEU 893 Ca 0.10 -0.98 0.10 0.00 -1.03 0.00 0.00 54.13 52.31 2o2p s LEU 893 Cb 0.07 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 2o2p s LEU 893 CO 0.04 -0.06 -0.18 0.00 0.23 0.00 0.00 176.35 176.38 2o2p s ARG 894 N -3.38 1.43 -0.19 1.70 1.70 0.45 -4.81 118.95 115.87 2o2p s ARG 894 Ca 0.23 -1.59 -0.01 0.00 -0.47 0.00 0.00 55.73 53.89 2o2p s ARG 894 Cb -0.03 -1.44 -0.00 0.00 -0.57 0.00 0.00 34.95 32.91 2o2p s ARG 894 CO 0.09 0.27 -0.11 0.42 -1.08 0.00 0.00 175.30 174.89 2o2p s ILE 895 N -2.46 2.90 -0.20 4.99 1.01 -1.26 -0.96 121.20 125.23 2o2p s ILE 895 Ca 0.23 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 60.13 2o2p s ILE 895 Cb -0.04 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 2o2p s ILE 895 CO 0.09 0.48 0.08 -0.75 0.00 0.00 0.00 174.94 174.85 2o2p s LYS 896 N 1.16 3.99 -0.17 2.79 2.20 0.12 -4.95 119.74 124.88 2o2p s LYS 896 Ca 0.01 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.15 2o2p s LYS 896 Cb -0.14 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 2o2p s LYS 896 CO -0.04 0.22 0.30 0.99 -0.36 0.00 0.00 175.35 176.46 2o2p s THR 897 N 0.54 5.29 -0.16 3.43 2.01 -1.26 -0.73 115.64 124.76 2o2p s THR 897 Ca 0.04 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.60 2o2p s THR 897 Cb -0.13 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2o2p s THR 897 CO 0.01 0.36 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.41 2o2p s VAL 898 N 0.66 2.20 -0.15 3.82 1.01 0.46 -4.99 120.40 123.40 2o2p s VAL 898 Ca 0.16 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2o2p s VAL 898 Cb -0.13 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.36 2o2p s VAL 898 CO 0.04 0.54 -0.13 -0.89 0.00 0.00 0.00 175.10 174.66 2o2p s THR 899 N 1.03 1.50 0.02 3.92 2.01 -1.26 -0.96 115.64 121.91 2o2p s THR 899 Ca -0.01 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2o2p s THR 899 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2o2p s THR 899 CO -0.06 0.41 0.13 -0.36 -0.69 0.00 0.00 174.62 174.05 2o2p s PHE 900 N 1.51 3.39 -0.06 4.92 0.40 0.75 -4.97 117.98 123.91 2o2p s PHE 900 Ca 0.04 0.24 0.04 0.00 -0.60 0.00 0.00 56.93 56.65 2o2p s PHE 900 Cb -0.13 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 2o2p s PHE 900 CO -0.10 0.58 -0.18 -2.00 0.70 0.00 0.00 175.22 174.22 2o2p s GLU 901 N -2.02 2.61 0.00 0.44 2.12 -1.26 -1.85 118.70 118.74 2o2p s GLU 901 Ca 0.27 -0.77 0.00 0.00 0.36 0.00 0.00 54.97 54.83 2o2p s GLU 901 Cb -0.12 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 31.94 2o2p s GLU 901 CO 0.19 0.49 0.00 2.48 -0.54 0.00 0.00 175.26 177.88