#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 5.06 0.08 2.52 1.01 -1.26 -5.07 121.20 123.55 2o2p s ILE 406 Ca 0.00 0.87 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 2o2p s ILE 406 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 42.46 38.67 2o2p s ILE 406 CO 0.00 0.51 1.18 0.20 0.00 0.00 0.00 174.94 176.83 2o2p s ASN 407 N -0.61 7.12 0.13 3.58 0.02 -1.26 -5.06 114.94 118.86 2o2p s ASN 407 Ca 0.24 2.02 0.09 0.00 -1.02 0.00 0.00 52.86 54.19 2o2p s ASN 407 Cb -0.16 -2.58 -0.04 0.00 0.02 0.00 0.00 41.25 38.49 2o2p s ASN 407 CO 0.12 -0.42 -0.20 -0.31 0.02 0.00 0.00 177.10 176.31 2o2p s TYR 408 N 0.82 1.85 -0.23 2.20 2.02 -1.26 -4.40 117.35 118.35 2o2p s TYR 408 Ca 0.57 -0.43 -0.21 0.00 -0.37 0.00 0.00 57.07 56.63 2o2p s TYR 408 Cb -0.29 -0.98 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2o2p s TYR 408 CO 0.30 0.27 0.65 0.08 -1.57 0.00 0.00 175.55 175.28 2o2p s VAL 409 N -1.48 4.98 -0.09 0.71 1.01 0.52 -4.87 120.40 121.19 2o2p s VAL 409 Ca 0.11 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.21 2o2p s VAL 409 Cb -0.08 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2o2p s VAL 409 CO 0.05 0.05 0.14 -0.70 0.00 0.00 0.00 175.10 174.64 2o2p s GLU 410 N 2.34 3.41 -0.19 2.72 2.12 -1.26 -0.88 118.70 126.96 2o2p s GLU 410 Ca 0.28 -0.19 -0.08 0.00 0.36 0.00 0.00 54.97 55.34 2o2p s GLU 410 Cb -0.16 -3.14 0.08 0.00 0.26 0.00 0.00 34.13 31.17 2o2p s GLU 410 CO 0.09 0.75 0.42 0.21 -0.54 0.00 0.00 175.26 176.19 2o2p s LYS 411 N -1.22 0.36 -0.36 4.30 2.20 -0.78 -4.98 119.74 119.26 2o2p s LYS 411 Ca 0.17 0.93 -0.23 0.00 -0.36 0.00 0.00 55.97 56.48 2o2p s LYS 411 Cb -0.12 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.37 2o2p s LYS 411 CO 0.07 -0.21 0.78 0.00 -0.36 0.00 0.00 175.35 175.63 2o2p s ALA 412 N 2.07 3.44 -0.11 3.13 0.00 -1.26 -0.10 121.76 128.92 2o2p s ALA 412 Ca -0.05 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 2o2p s ALA 412 Cb -0.10 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.75 2o2p s ALA 412 CO -0.13 -1.45 0.76 0.54 0.00 0.00 0.00 175.76 175.48 2o2p s VAL 413 N 3.07 0.00 -1.48 0.00 0.11 -0.73 -4.97 120.40 116.40 2o2p s VAL 413 Ca 0.31 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.24 2o2p s VAL 413 Cb -0.13 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.78 2o2p s VAL 413 CO 0.16 0.00 1.02 -3.20 -3.33 0.00 0.00 175.10 169.75 2o2p n ASN 414 N 1.16 -4.93 -1.23 3.54 5.15 -1.26 -1.87 115.26 115.82 2o2p n ASN 414 Ca -0.16 -0.73 -0.15 0.00 -0.60 0.00 0.00 54.58 52.94 2o2p n ASN 414 Cb 0.57 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.60 2o2p n ASN 414 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2o2p n LYS 415 N -4.73 -1.07 -4.19 1.20 5.02 -1.26 -4.97 118.16 108.15 2o2p n LYS 415 Ca 0.01 0.99 -0.15 0.00 -2.02 0.00 0.00 58.31 57.14 2o2p n LYS 415 Cb 0.54 -5.16 -0.08 0.00 -0.02 0.00 0.00 35.03 30.32 2o2p n LYS 415 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 2o2p s LEU 416 N -3.56 1.30 -0.29 -0.35 0.05 -0.78 -5.12 118.68 109.93 2o2p s LEU 416 Ca 0.00 -1.53 -0.05 0.00 0.05 0.00 0.00 54.13 52.60 2o2p s LEU 416 Cb 0.00 0.80 0.02 0.00 -2.05 0.00 0.00 46.19 44.96 2o2p s LEU 416 CO 0.00 -1.06 0.05 -0.89 -0.55 0.00 0.00 176.35 173.90 2o2p s THR 417 N -3.61 3.65 0.17 5.48 2.01 -1.26 -1.77 115.64 120.31 2o2p s THR 417 Ca 0.37 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 2o2p s THR 417 Cb 0.03 -2.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.55 2o2p s THR 417 CO 0.20 0.06 1.00 -0.76 -0.69 0.00 0.00 174.62 174.43 2o2p s LEU 418 N 1.43 4.53 -0.30 4.42 1.43 0.86 -4.92 118.68 126.13 2o2p s LEU 418 Ca 0.01 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.06 2o2p s LEU 418 Cb -0.18 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.53 2o2p s LEU 418 CO 0.01 -0.06 0.01 -1.10 0.23 0.00 0.00 176.35 175.44 2o2p s GLN 419 N -0.43 1.46 -0.31 1.70 -1.52 -1.26 -1.86 119.66 117.43 2o2p s GLN 419 Ca 0.46 -1.44 -0.07 0.00 -1.95 0.00 0.00 55.36 52.36 2o2p s GLN 419 Cb -0.26 -2.78 0.02 0.00 -0.22 0.00 0.00 33.01 29.77 2o2p s GLN 419 CO 0.32 -0.82 0.10 -1.64 -0.25 0.00 0.00 175.29 173.00 2o2p s MET 420 N 1.18 2.98 0.69 2.91 -1.94 -0.06 -4.91 119.30 120.16 2o2p s MET 420 Ca 0.04 -0.94 -0.16 0.00 -1.71 0.00 0.00 55.69 52.93 2o2p s MET 420 Cb -0.19 -3.43 0.02 0.00 2.01 0.00 0.00 34.83 33.24 2o2p s MET 420 CO -0.11 -0.51 1.19 -2.14 -0.01 0.00 0.00 175.02 173.45 2o2p s PRO 421 N 1.49 2.42 0.00 2.03 0.02 -1.26 -0.35 135.00 139.34 2o2p s PRO 421 Ca 0.02 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.76 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 0.03 -1.62 0.37 2.48 -0.33 0.00 0.00 177.00 177.94 2o2p n TYR 422 N -2.43 0.00 -3.34 6.54 4.11 -1.26 -4.71 117.16 116.07 2o2p n TYR 422 Ca 0.13 -0.03 -0.20 0.00 -0.00 0.00 0.00 57.90 57.80 2o2p n TYR 422 Cb 0.50 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.83 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 -0.07 2.61 0.69 -3.48 -0.21 -1.26 -1.24 119.66 116.71 2o2p s GLN 423 Ca 0.00 -1.46 -0.16 0.00 0.02 0.00 0.00 55.36 53.76 2o2p s GLN 423 Cb 0.00 -2.52 0.02 0.00 1.00 0.00 0.00 33.01 31.51 2o2p s GLN 423 CO 0.00 -0.28 1.24 -0.51 -2.12 0.00 0.00 175.29 173.62 2o2p s LEU 424 N -4.25 3.43 -0.26 2.90 1.43 -0.63 -4.77 118.68 116.53 2o2p s LEU 424 Ca 0.51 2.47 0.03 0.00 -1.03 0.00 0.00 54.13 56.10 2o2p s LEU 424 Cb -0.06 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.62 2o2p s LEU 424 CO 0.30 -2.14 -0.10 0.12 0.23 0.00 0.00 176.35 174.76 2o2p s PHE 425 N -1.72 3.12 -0.05 0.29 5.36 -0.48 -0.95 117.98 123.56 2o2p s PHE 425 Ca 0.78 -2.24 0.00 0.00 -0.96 0.00 0.00 56.93 54.51 2o2p s PHE 425 Cb -0.33 -1.89 0.02 0.00 -0.34 0.00 0.00 43.02 40.49 2o2p s PHE 425 CO 0.42 -0.86 -0.02 0.42 -1.46 0.00 0.00 175.22 173.72 2o2p s ILE 426 N 1.15 0.39 -1.52 3.12 1.01 -0.41 -0.22 121.20 124.73 2o2p s ILE 426 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2o2p s ILE 426 Cb -0.20 -0.47 0.08 0.00 0.01 0.00 0.00 42.46 41.88 2o2p s ILE 426 CO -0.05 0.21 0.90 0.61 0.00 0.00 0.00 174.94 176.61 2o2p n GLY 427 N 4.35 -0.50 1.71 6.18 0.00 -1.26 -1.91 105.19 113.76 2o2p n GLY 427 Ca -0.21 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.61 0.72 3.09 -0.02 0.00 -1.26 -4.41 105.19 101.69 2o2p n GLY 428 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.27 0.66 -0.13 1.61 -1.05 -0.80 -5.02 118.70 113.68 2o2p s GLU 429 Ca 0.00 -0.76 -0.22 0.00 -0.15 0.00 0.00 54.97 53.84 2o2p s GLU 429 Cb 0.00 -0.55 -0.03 0.00 -0.44 0.00 0.00 34.13 33.11 2o2p s GLU 429 CO 0.00 0.12 0.68 -0.06 0.95 0.00 0.00 175.26 176.95 2o2p s PHE 430 N -1.15 3.48 0.01 4.83 0.40 -1.26 -1.28 117.98 123.00 2o2p s PHE 430 Ca -0.05 1.12 -0.02 0.00 -0.60 0.00 0.00 56.93 57.38 2o2p s PHE 430 Cb -0.09 -2.82 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 2o2p s PHE 430 CO 0.01 -0.05 0.02 0.14 0.70 0.00 0.00 175.22 176.04 2o2p s VAL 431 N 1.40 0.08 0.76 -0.44 -7.23 -0.12 -4.96 120.40 109.88 2o2p s VAL 431 Ca 0.34 -0.62 -0.14 0.00 -1.81 0.00 0.00 61.98 59.75 2o2p s VAL 431 Cb -0.17 -0.24 0.06 0.00 0.56 0.00 0.00 36.38 36.59 2o2p s VAL 431 CO 0.14 -0.34 1.17 -1.81 -0.31 0.00 0.00 175.10 173.95 2o2p s ASP 432 N -1.04 4.12 0.84 4.85 1.01 -1.26 -1.61 116.67 123.58 2o2p s ASP 432 Ca -0.11 2.22 -0.12 0.00 0.71 0.00 0.00 52.55 55.25 2o2p s ASP 432 Cb -0.07 -2.57 0.10 0.00 1.01 0.00 0.00 42.92 41.38 2o2p s ASP 432 CO -0.00 -2.31 1.10 0.00 0.21 0.00 0.00 175.17 174.17 2o2p s ALA 433 N -2.25 1.98 0.14 5.23 0.00 -1.26 -4.86 121.76 120.75 2o2p s ALA 433 Ca 0.71 -0.21 -0.34 0.00 0.00 0.00 0.00 51.96 52.11 2o2p s ALA 433 Cb -0.25 -3.12 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 2o2p s ALA 433 CO 0.48 -1.98 1.42 -1.91 0.00 0.00 0.00 175.76 173.77 2o2p n GLU 434 N -3.60 1.66 -0.97 0.00 2.13 -1.26 -0.81 120.64 117.78 2o2p n GLU 434 Ca 0.07 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.48 2o2p n GLU 434 Cb 0.56 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 30.00 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 2.78 0.39 3.03 8.31 0.00 -1.26 -3.27 105.19 115.17 2o2p n GLY 435 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.27 -4.09 -4.77 1.61 7.64 0.01 -4.94 113.62 108.81 2o2p n SER 436 Ca 0.00 -0.19 -0.39 0.00 1.01 0.00 0.00 58.87 59.30 2o2p n SER 436 Cb 0.14 -3.39 -0.01 0.00 -1.01 0.00 0.00 64.21 59.94 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 -5.67 3.93 0.22 1.43 1.02 -1.20 -4.90 119.74 114.57 2o2p s LYS 437 Ca 0.26 2.03 -0.02 0.00 0.02 0.00 0.00 55.97 58.27 2o2p s LYS 437 Cb -0.14 -2.68 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 2o2p s LYS 437 CO 0.33 -0.48 0.19 0.95 -0.92 0.00 0.00 175.35 175.41 2o2p s THR 438 N -1.33 0.00 0.12 2.17 -4.23 -1.26 -1.37 115.64 109.74 2o2p s THR 438 Ca 0.58 -1.92 -0.05 0.00 -1.18 0.00 0.00 61.69 59.12 2o2p s THR 438 Cb -0.35 -2.47 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 2o2p s THR 438 CO 0.44 0.00 0.15 -0.72 -0.54 0.00 0.00 174.62 173.95 2o2p s TYR 439 N -4.08 0.48 -0.03 3.99 -0.85 -0.06 -4.78 117.35 112.03 2o2p s TYR 439 Ca 0.37 -0.90 -0.19 0.00 -0.52 0.00 0.00 57.07 55.83 2o2p s TYR 439 Cb 0.06 -0.23 -0.05 0.00 0.38 0.00 0.00 41.96 42.12 2o2p s TYR 439 CO 0.13 -0.57 0.53 -0.80 -1.52 0.00 0.00 175.55 173.32 2o2p s ASN 440 N -2.96 6.88 -0.14 -0.18 0.01 -1.26 -0.38 114.94 116.91 2o2p s ASN 440 Ca 0.14 1.04 -0.09 0.00 -0.71 0.00 0.00 52.86 53.25 2o2p s ASN 440 Cb 0.06 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2o2p s ASN 440 CO -0.04 0.12 0.17 0.28 -1.51 0.00 0.00 177.10 176.12 2o2p s THR 441 N -0.16 5.43 -0.10 1.60 -1.32 -0.79 -4.96 115.64 115.34 2o2p s THR 441 Ca 0.28 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 61.04 2o2p s THR 441 Cb -0.17 -3.46 -0.02 0.00 -1.51 0.00 0.00 72.50 67.33 2o2p s THR 441 CO 0.15 0.54 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.38 2o2p s ILE 442 N -0.48 3.45 -0.37 5.08 -1.09 -1.26 -0.94 121.20 125.58 2o2p s ILE 442 Ca 0.13 -0.55 -0.29 0.00 -2.23 0.00 0.00 60.65 57.72 2o2p s ILE 442 Cb -0.12 -2.43 0.02 0.00 -1.58 0.00 0.00 42.46 38.34 2o2p s ILE 442 CO 0.03 0.55 1.20 0.21 -1.23 0.00 0.00 174.94 175.70 2o2p s ASN 443 N -0.22 6.71 0.00 3.58 3.84 0.64 -4.85 114.94 124.64 2o2p s ASN 443 Ca 0.02 0.91 0.18 0.00 0.21 0.00 0.00 52.86 54.18 2o2p s ASN 443 Cb -0.13 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 38.85 2o2p s ASN 443 CO 0.03 -1.11 1.55 -0.81 -2.79 0.00 0.00 177.10 173.98 2o2p n PRO 444 N 7.41 0.12 0.10 0.43 -0.04 -1.26 -0.19 135.00 141.58 2o2p n PRO 444 Ca 0.13 0.16 -0.04 0.00 -0.04 0.00 0.00 63.50 63.71 2o2p n PRO 444 Cb 0.48 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 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 1.48 0.00 0.52 2.02 -1.89 -0.06 112.91 114.98 2o2p h THR 445 Ca 0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 2o2p h THR 445 Cb 0.24 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 2o2p h THR 445 CO 0.00 0.69 0.00 -0.90 0.37 0.00 0.00 175.52 175.68 2o2p n ASP 446 N -3.72 0.00 0.00 4.18 3.85 -1.12 -2.92 116.55 116.82 2o2p n ASP 446 Ca -0.02 -1.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.06 2o2p n ASP 446 Cb 0.70 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.47 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 0.75 3.81 6.12 0.00 0.74 -4.32 105.19 112.30 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 -2.69 5.57 -0.21 1.61 1.04 -1.23 -4.69 113.70 113.09 2o2p s SER 448 Ca 0.00 1.68 -0.28 0.00 0.48 0.00 0.00 55.95 57.83 2o2p s SER 448 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2o2p s SER 448 CO 0.00 -1.32 1.00 -0.69 0.98 0.00 0.00 173.24 173.21 2o2p s VAL 449 N -2.83 4.72 -0.05 5.02 1.01 -1.26 -0.26 120.40 126.76 2o2p s VAL 449 Ca 0.60 1.95 -0.26 0.00 0.00 0.00 0.00 61.98 64.27 2o2p s VAL 449 Cb -0.15 -4.27 -0.21 0.00 0.00 0.00 0.00 36.38 31.75 2o2p s VAL 449 CO 0.48 -0.13 1.12 0.40 0.00 0.00 0.00 175.10 176.97 2o2p h ILE 450 N 5.39 1.37 -1.94 2.22 2.04 -1.39 -3.47 117.51 121.74 2o2p h ILE 450 Ca -0.21 -1.34 0.27 0.00 1.00 0.00 0.00 64.86 64.57 2o2p h ILE 450 Cb 1.08 2.25 -0.09 0.00 -0.74 0.00 0.00 36.82 39.32 2o2p h ILE 450 CO 0.94 0.34 0.72 0.00 0.00 0.00 0.00 178.15 180.15 2o2p s GLN 452 N -2.51 4.29 -0.01 0.00 1.11 -1.26 -1.88 119.66 119.40 2o2p s GLN 452 Ca 0.18 0.81 0.07 0.00 0.01 0.00 0.00 55.36 56.42 2o2p s GLN 452 Cb 0.01 -3.27 -0.02 0.00 -1.01 0.00 0.00 33.01 28.73 2o2p s GLN 452 CO -0.00 0.55 -0.22 0.08 0.01 0.00 0.00 175.29 175.71 2o2p s VAL 453 N -0.86 1.73 0.35 1.09 1.01 0.49 -4.86 120.40 119.34 2o2p s VAL 453 Ca 0.31 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 2o2p s VAL 453 Cb -0.20 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.62 2o2p s VAL 453 CO 0.20 0.48 1.33 -1.20 0.00 0.00 0.00 175.10 175.90 2o2p n SER 454 N 2.51 2.96 -4.18 3.32 7.64 -0.37 -0.88 113.62 124.61 2o2p n SER 454 Ca -0.15 1.21 -0.39 0.00 1.01 0.00 0.00 58.87 60.54 2o2p n SER 454 Cb 0.52 -1.51 -0.09 0.00 -1.01 0.00 0.00 64.21 62.12 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 -1.22 5.58 0.26 -3.43 2.96 -0.47 -4.28 118.68 118.07 2o2p s LEU 455 Ca 0.55 -2.12 -0.31 0.00 -0.22 0.00 0.00 54.13 52.03 2o2p s LEU 455 Cb -0.55 -1.95 -0.13 0.00 0.50 0.00 0.00 46.19 44.06 2o2p s LEU 455 CO 0.63 -0.60 1.48 0.00 -1.32 0.00 0.00 176.35 176.53 2o2p n ALA 456 N 4.58 1.64 -2.23 5.97 0.00 -0.44 -4.71 120.51 125.32 2o2p n ALA 456 Ca -0.03 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.60 2o2p n ALA 456 Cb 0.41 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.44 2.51 0.25 0.00 -1.52 -1.26 -4.65 119.66 114.54 2o2p s GLN 457 Ca 0.67 -1.57 -0.04 0.00 -1.95 0.00 0.00 55.36 52.47 2o2p s GLN 457 Cb -0.59 -2.35 0.40 0.00 -0.22 0.00 0.00 33.01 30.24 2o2p s GLN 457 CO 0.49 -0.22 1.83 0.28 -0.25 0.00 0.00 175.29 177.42 2o2p h VAL 458 N 1.02 0.96 -0.00 1.09 2.07 -1.95 -0.14 116.25 119.29 2o2p h VAL 458 Ca -0.41 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 2o2p h VAL 458 Cb 1.27 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2o2p h VAL 458 CO 0.58 0.16 -0.13 0.77 0.02 0.00 0.00 177.57 178.97 2o2p h SER 459 N 0.89 0.01 -0.24 0.57 4.64 -1.99 -1.14 113.55 116.29 2o2p h SER 459 Ca 0.40 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2o2p h SER 459 Cb 0.31 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2o2p h SER 459 CO -0.22 0.13 -0.63 0.44 -0.87 0.00 0.00 176.83 175.68 2o2p h ASP 460 N 0.01 0.97 -0.34 4.97 3.32 -1.45 -1.24 116.42 122.65 2o2p h ASP 460 Ca 0.00 -0.57 0.01 0.00 0.02 0.00 0.00 57.03 56.49 2o2p h ASP 460 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2o2p h ASP 460 CO 0.02 1.36 0.21 0.58 -1.72 0.00 0.00 179.24 179.69 2o2p h VAL 461 N 0.62 1.06 -0.85 -1.35 2.07 -0.61 -0.35 116.25 116.84 2o2p h VAL 461 Ca -0.01 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2o2p h VAL 461 Cb 1.25 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2o2p h VAL 461 CO 0.14 0.08 0.48 0.44 0.02 0.00 0.00 177.57 178.73 2o2p h ASP 462 N 0.42 1.05 -0.79 0.57 3.45 -1.17 -0.88 116.42 119.06 2o2p h ASP 462 Ca 0.13 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 2o2p h ASP 462 Cb -0.02 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.45 2o2p h ASP 462 CO -0.05 0.83 0.44 0.11 -1.57 0.00 0.00 179.24 179.00 2o2p h LYS 463 N 1.18 1.09 -0.29 3.56 1.57 -0.82 -0.46 116.57 122.40 2o2p h LYS 463 Ca 0.30 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2o2p h LYS 463 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2o2p h LYS 463 CO -0.05 0.80 0.01 0.00 -0.57 0.00 0.00 179.45 179.65 2o2p h ALA 464 N 1.23 0.39 -0.49 3.86 0.00 -0.63 -1.19 119.26 122.43 2o2p h ALA 464 Ca 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2o2p h ALA 464 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2o2p h ALA 464 CO -0.05 0.12 0.24 0.28 0.00 0.00 0.00 179.25 179.85 2o2p h VAL 465 N 0.31 1.19 -1.00 0.00 2.07 -1.05 -0.72 116.25 117.05 2o2p h VAL 465 Ca 0.09 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2o2p h VAL 465 Cb 0.41 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 2o2p h VAL 465 CO 0.01 0.21 0.65 0.00 0.02 0.00 0.00 177.57 178.47 2o2p h ALA 466 N 1.08 1.31 -0.41 1.67 0.00 -0.96 0.19 119.26 122.14 2o2p h ALA 466 Ca 0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2o2p h ALA 466 Cb 0.12 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2o2p h ALA 466 CO -0.02 0.56 0.01 0.00 0.00 0.00 0.00 179.25 179.81 2o2p h ALA 467 N 1.40 0.55 -0.70 0.00 0.00 -0.78 -1.09 119.26 118.64 2o2p h ALA 467 Ca 0.39 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2o2p h ALA 467 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2o2p h ALA 467 CO -0.12 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.62 2o2p h ALA 468 N 0.90 0.95 -0.19 0.00 0.00 -0.76 -0.47 119.26 119.69 2o2p h ALA 468 Ca 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2o2p h ALA 468 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2o2p h ALA 468 CO 0.02 0.67 0.06 -0.22 0.00 0.00 0.00 179.25 179.78 2o2p h LYS 469 N 1.07 0.30 -0.59 0.00 3.64 -0.47 -1.20 116.57 119.32 2o2p h LYS 469 Ca 0.22 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2o2p h LYS 469 Cb 0.38 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2o2p h LYS 469 CO 0.00 0.41 0.31 1.49 -2.27 0.00 0.00 179.45 179.40 2o2p h GLU 470 N 0.14 0.83 -0.91 1.90 4.57 -1.07 -0.05 114.58 119.99 2o2p h GLU 470 Ca 0.06 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2o2p h GLU 470 Cb 0.24 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2o2p h GLU 470 CO -0.00 0.64 0.56 0.00 -1.18 0.00 0.00 179.01 179.03 2o2p h ALA 471 N 1.14 1.28 -0.03 2.92 0.00 -0.92 -0.05 119.26 123.59 2o2p h ALA 471 Ca 0.21 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2o2p h ALA 471 Cb 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 17.79 17.49 2o2p h ALA 471 CO -0.03 0.63 -0.33 0.35 0.00 0.00 0.00 179.25 179.87 2o2p h PHE 472 N 1.25 0.39 0.11 0.00 3.57 -0.92 -2.49 116.94 118.85 2o2p h PHE 472 Ca 0.33 -0.19 -0.28 0.00 3.53 0.00 0.00 57.97 61.36 2o2p h PHE 472 Cb -0.07 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.63 2o2p h PHE 472 CO 0.00 0.96 -1.20 0.93 -2.23 0.00 0.00 178.31 176.77 2o2p h GLU 473 N -0.28 0.41 0.00 1.11 5.08 -0.93 -3.39 114.58 116.59 2o2p h GLU 473 Ca -0.03 -0.59 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2o2p h GLU 473 Cb 1.02 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2o2p h GLU 473 CO 0.07 1.25 -0.43 0.09 -1.00 0.00 0.00 179.01 178.99 2o2p n ASN 474 N -3.66 2.15 -4.53 1.42 3.02 -0.08 -5.01 115.26 108.58 2o2p n ASN 474 Ca -0.10 -0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.04 2o2p n ASN 474 Cb 0.98 0.69 0.13 0.00 -0.61 0.00 0.00 39.78 40.98 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 -1.12 1.72 0.50 7.41 0.00 -0.91 -4.97 107.32 109.95 2o2p s GLY 475 Ca 0.00 -1.10 0.18 0.00 0.00 0.00 0.00 44.72 43.80 2o2p s GLY 475 CO 0.00 -0.49 2.07 -2.00 0.00 0.00 0.00 173.10 172.68 2o2p h LEU 476 N -1.17 0.10 -1.45 0.66 5.85 -1.93 -2.96 115.31 114.42 2o2p h LEU 476 Ca -0.44 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2o2p h LEU 476 Cb 1.28 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2o2p h LEU 476 CO 0.49 0.07 0.07 -0.25 -0.34 0.00 0.00 178.44 178.48 2o2p h TRP 477 N 0.12 0.43 -0.01 1.25 2.91 -1.93 -0.72 115.95 118.00 2o2p h TRP 477 Ca 0.14 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2o2p h TRP 477 Cb 0.39 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 2o2p h TRP 477 CO -0.00 0.39 -0.08 0.41 -1.03 0.00 0.00 178.44 178.12 2o2p n GLY 478 N -1.14 -0.72 0.06 2.65 0.00 -1.12 -4.06 105.19 100.86 2o2p n GLY 478 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 2o2p n GLY 478 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o2p n LYS 479 N -0.69 2.09 -1.47 1.61 5.02 -0.37 -5.05 118.16 119.30 2o2p n LYS 479 Ca 0.17 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.14 2o2p n LYS 479 Cb 0.27 -1.30 0.07 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.29 3.75 0.63 -0.18 -4.36 -0.67 -5.00 121.20 113.08 2o2p s ILE 480 Ca -0.06 0.57 -0.18 0.00 -0.26 0.00 0.00 60.65 60.72 2o2p s ILE 480 Cb 0.03 -3.23 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 2o2p s ILE 480 CO 0.48 -0.74 1.22 0.20 0.24 0.00 0.00 174.94 176.34 2o2p s ASN 481 N -3.68 4.86 0.25 4.36 0.01 -1.26 -4.83 114.94 114.65 2o2p s ASN 481 Ca 0.59 2.42 -0.03 0.00 -0.71 0.00 0.00 52.86 55.12 2o2p s ASN 481 Cb -0.15 -2.60 0.43 0.00 0.41 0.00 0.00 41.25 39.34 2o2p s ASN 481 CO 0.55 -1.82 1.80 0.00 -1.51 0.00 0.00 177.10 176.13 2o2p h ALA 482 N 0.54 1.21 -0.81 0.60 0.00 -1.94 -0.25 119.26 118.61 2o2p h ALA 482 Ca -0.50 0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2o2p h ALA 482 Cb 1.30 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2o2p h ALA 482 CO 0.54 0.08 0.53 -0.09 0.00 0.00 0.00 179.25 180.30 2o2p h ARG 483 N 0.78 0.92 0.05 0.00 2.43 -1.91 -0.56 114.38 116.09 2o2p h ARG 483 Ca 0.41 -0.06 -0.23 0.00 -0.81 0.00 0.00 59.98 59.29 2o2p h ARG 483 Cb 0.41 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2o2p h ARG 483 CO -0.26 0.61 -1.05 -0.44 -1.51 0.00 0.00 179.97 177.32 2o2p h ASP 484 N 0.95 0.30 -0.52 -3.80 3.32 -1.53 -1.19 116.42 113.95 2o2p h ASP 484 Ca 0.33 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.13 2o2p h ASP 484 Cb 0.11 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2o2p h ASP 484 CO -0.11 1.16 0.28 -0.09 -1.72 0.00 0.00 179.24 178.77 2o2p h ARG 485 N 0.08 0.54 -0.48 3.56 2.43 -0.73 -1.77 114.38 118.00 2o2p h ARG 485 Ca -0.08 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.13 2o2p h ARG 485 Cb 1.75 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 31.12 2o2p h ARG 485 CO 0.16 0.36 0.17 0.78 -1.51 0.00 0.00 179.97 179.93 2o2p h GLY 486 N 0.55 0.64 0.77 2.80 0.00 -0.83 -1.59 103.07 105.41 2o2p h GLY 486 Ca 0.22 -0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.51 2o2p h GLY 486 CO -0.13 0.01 0.55 3.21 0.00 0.00 0.00 176.54 180.18 2o2p h ARG 487 N 0.35 0.99 -0.50 4.80 2.47 -0.82 0.37 114.38 122.04 2o2p h ARG 487 Ca 0.23 -0.06 -0.12 0.00 -1.26 0.00 0.00 59.98 58.78 2o2p h ARG 487 Cb 0.24 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2o2p h ARG 487 CO -0.24 0.66 -0.14 -0.07 0.56 0.00 0.00 179.97 180.74 2o2p h LEU 488 N 1.02 0.96 -0.57 3.04 3.38 -0.69 -0.52 115.31 121.93 2o2p h LEU 488 Ca 0.37 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2o2p h LEU 488 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2o2p h LEU 488 CO -0.16 1.10 -0.39 -0.07 0.09 0.00 0.00 178.44 179.01 2o2p h LEU 489 N 0.84 0.76 -0.37 1.67 3.38 -0.65 0.26 115.31 121.19 2o2p h LEU 489 Ca 0.13 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2o2p h LEU 489 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2o2p h LEU 489 CO 0.05 1.06 0.24 1.88 0.09 0.00 0.00 178.44 181.76 2o2p h TYR 490 N 0.59 0.47 -0.67 1.13 0.99 -0.77 -1.51 116.97 117.19 2o2p h TYR 490 Ca 0.05 0.01 0.04 0.00 2.00 0.00 0.00 58.73 60.83 2o2p h TYR 490 Cb 0.92 -0.16 -0.05 0.00 1.00 0.00 0.00 36.73 38.45 2o2p h TYR 490 CO 0.05 0.30 0.41 -0.09 -0.00 0.00 0.00 178.16 178.83 2o2p h ARG 491 N 0.50 0.77 -0.58 4.88 2.43 -0.83 -0.64 114.38 120.91 2o2p h ARG 491 Ca 0.14 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2o2p h ARG 491 Cb -0.05 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 29.28 2o2p h ARG 491 CO -0.03 0.51 0.30 1.25 -1.51 0.00 0.00 179.97 180.49 2o2p h LEU 492 N 0.79 0.43 -0.77 3.80 5.85 -0.65 0.50 115.31 125.26 2o2p h LEU 492 Ca 0.28 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2o2p h LEU 492 Cb 0.06 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2o2p h LEU 492 CO -0.12 0.29 0.49 0.00 -0.34 0.00 0.00 178.44 178.75 2o2p h ALA 493 N 1.31 1.00 -0.54 1.25 0.00 -0.55 0.06 119.26 121.80 2o2p h ALA 493 Ca 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2o2p h ALA 493 Cb 0.17 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2o2p h ALA 493 CO -0.18 0.30 0.29 -0.44 0.00 0.00 0.00 179.25 179.22 2o2p h ASP 494 N 0.96 0.68 -0.46 0.00 3.45 -0.31 0.09 116.42 120.81 2o2p h ASP 494 Ca 0.30 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.65 2o2p h ASP 494 Cb 0.00 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 2o2p h ASP 494 CO -0.11 0.58 0.22 0.58 -1.57 0.00 0.00 179.24 178.94 2o2p h VAL 495 N 0.72 1.19 -0.75 -1.35 2.07 -0.49 -0.51 116.25 117.12 2o2p h VAL 495 Ca 0.19 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2o2p h VAL 495 Cb 0.05 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2o2p h VAL 495 CO -0.03 0.21 0.45 0.24 0.02 0.00 0.00 177.57 178.46 2o2p h MET 496 N 0.60 0.82 -0.67 1.57 2.86 -0.65 -1.81 114.93 117.66 2o2p h MET 496 Ca 0.16 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2o2p h MET 496 Cb 0.12 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 2o2p h MET 496 CO -0.02 0.54 0.31 1.49 1.06 0.00 0.00 176.91 180.29 2o2p h GLU 497 N 0.84 0.97 0.00 1.72 4.81 -0.54 -1.06 114.58 121.33 2o2p h GLU 497 Ca 0.32 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2o2p h GLU 497 Cb 0.14 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2o2p h GLU 497 CO -0.16 0.78 -0.02 1.96 -0.73 0.00 0.00 179.01 180.84 2o2p h GLN 498 N 0.93 0.00 -0.31 1.92 4.20 -0.55 -2.14 115.11 119.15 2o2p h GLN 498 Ca 0.23 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 2o2p h GLN 498 Cb 0.14 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2o2p h GLN 498 CO -0.03 0.02 0.01 0.72 -0.67 0.00 0.00 178.83 178.88 2o2p n HIS 499 N -3.74 1.08 -0.26 2.96 8.25 -0.61 -4.79 115.22 118.10 2o2p n HIS 499 Ca -0.03 -1.05 -0.06 0.00 -0.26 0.00 0.00 57.72 56.32 2o2p n HIS 499 Cb 0.11 -0.38 0.05 0.00 1.12 0.00 0.00 29.99 30.89 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 1.67 1.04 -0.42 -0.41 3.07 -0.53 0.22 115.11 119.74 2o2p h GLN 500 Ca 0.07 -0.16 -0.07 0.00 0.09 0.00 0.00 58.65 58.58 2o2p h GLN 500 Cb 1.55 -0.19 -0.01 0.00 0.08 0.00 0.00 27.48 28.91 2o2p h GLN 500 CO 0.29 0.82 -0.03 0.93 0.09 0.00 0.00 178.83 180.94 2o2p h GLU 501 N 1.01 0.76 -0.11 0.06 3.07 -1.86 -0.75 114.58 116.76 2o2p h GLU 501 Ca 0.25 -0.26 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2o2p h GLU 501 Cb 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2o2p h GLU 501 CO -0.03 0.85 0.03 1.49 -1.40 0.00 0.00 179.01 179.95 2o2p h GLU 502 N 0.59 0.07 -0.68 2.33 4.81 -1.83 -0.19 114.58 119.69 2o2p h GLU 502 Ca 0.12 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2o2p h GLU 502 Cb 0.53 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2o2p h GLU 502 CO 0.03 0.05 0.40 -0.07 -0.73 0.00 0.00 179.01 178.69 2o2p h LEU 503 N 0.08 0.82 -0.98 1.64 3.38 -0.84 -0.20 115.31 119.21 2o2p h LEU 503 Ca 0.05 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2o2p h LEU 503 Cb 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2o2p h LEU 503 CO -0.06 0.65 -0.29 0.00 0.09 0.00 0.00 178.44 178.83 2o2p h ALA 504 N 1.21 1.14 -0.32 1.53 0.00 -0.98 -1.30 119.26 120.53 2o2p h ALA 504 Ca 0.24 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2o2p h ALA 504 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2o2p h ALA 504 CO -0.04 0.55 -0.24 1.15 0.00 0.00 0.00 179.25 180.66 2o2p h THR 505 N 0.34 1.29 -0.87 0.00 2.02 -0.47 -0.93 112.91 114.29 2o2p h THR 505 Ca 0.05 -1.39 0.01 0.00 0.77 0.00 0.00 66.41 65.85 2o2p h THR 505 Cb 0.69 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 2o2p h THR 505 CO 0.05 0.45 0.57 0.40 0.37 0.00 0.00 175.52 177.37 2o2p h ILE 506 N 0.50 1.21 -0.41 3.11 2.04 -0.81 -1.12 117.51 122.03 2o2p h ILE 506 Ca 0.06 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 2o2p h ILE 506 Cb 0.80 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 2o2p h ILE 506 CO 0.06 0.21 -0.09 -0.08 0.00 0.00 0.00 178.15 178.26 2o2p h GLU 507 N 1.17 0.72 -0.35 2.37 4.57 -1.06 0.15 114.58 122.14 2o2p h GLU 507 Ca 0.32 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 2o2p h GLU 507 Cb -0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.38 2o2p h GLU 507 CO -0.07 0.79 0.12 0.00 -1.18 0.00 0.00 179.01 178.67 2o2p h ALA 508 N 1.24 0.46 -0.45 2.92 0.00 -0.73 0.50 119.26 123.20 2o2p h ALA 508 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2o2p h ALA 508 Cb 0.54 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2o2p h ALA 508 CO 0.03 0.09 0.01 -0.07 0.00 0.00 0.00 179.25 179.31 2o2p h LEU 509 N 0.42 0.78 0.05 0.00 3.38 -0.86 -1.42 115.31 117.66 2o2p h LEU 509 Ca 0.11 -0.30 -0.29 0.00 0.09 0.00 0.00 57.88 57.49 2o2p h LEU 509 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2o2p h LEU 509 CO -0.01 0.88 -1.58 -0.78 0.09 0.00 0.00 178.44 177.05 2o2p h ASP 510 N 0.64 0.18 -0.00 -0.43 3.58 -0.67 -3.36 116.42 116.36 2o2p h ASP 510 Ca 0.13 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2o2p h ASP 510 Cb 0.48 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.47 2o2p h ASP 510 CO 0.02 1.25 -0.16 0.00 -2.88 0.00 0.00 179.24 177.48 2o2p n ALA 511 N -2.61 2.50 -1.01 -0.78 0.00 0.16 -4.74 120.51 114.02 2o2p n ALA 511 Ca -0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 53.44 53.11 2o2p n ALA 511 Cb 1.03 -0.14 -0.00 0.00 0.00 0.00 0.00 19.45 20.34 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 0.97 0.47 3.71 0.00 0.00 -0.53 -4.31 105.19 105.49 2o2p n GLY 512 Ca 0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2o2p n GLY 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o2p s ALA 513 N -1.98 3.74 0.17 4.61 0.00 -1.21 -4.03 121.76 123.07 2o2p s ALA 513 Ca 0.00 1.31 -0.33 0.00 0.00 0.00 0.00 51.96 52.94 2o2p s ALA 513 Cb 0.00 -3.66 -0.13 0.00 0.00 0.00 0.00 23.12 19.33 2o2p s ALA 513 CO 0.00 -0.93 1.67 0.28 0.00 0.00 0.00 175.76 176.78 2o2p n VAL 514 N 4.30 0.04 -0.15 0.00 0.31 -1.26 -3.97 118.33 117.60 2o2p n VAL 514 Ca 0.15 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.43 2o2p n VAL 514 Cb 0.39 -1.78 0.05 0.00 -0.91 0.00 0.00 33.84 31.59 2o2p n VAL 514 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2o2p h TYR 515 N 6.56 0.37 -0.85 3.52 3.20 -1.21 0.29 116.97 128.84 2o2p h TYR 515 Ca -0.44 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.48 2o2p h TYR 515 Cb 1.23 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 2o2p h TYR 515 CO 0.65 0.16 0.56 1.79 -1.64 0.00 0.00 178.16 179.68 2o2p h THR 516 N 0.41 1.14 -0.23 1.81 1.35 -1.90 0.96 112.91 116.46 2o2p h THR 516 Ca 0.21 -0.36 -0.13 0.00 -0.55 0.00 0.00 66.41 65.58 2o2p h THR 516 Cb 0.17 -0.01 -0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2o2p h THR 516 CO -0.18 0.19 -0.38 0.25 -0.25 0.00 0.00 175.52 175.15 2o2p h LEU 517 N 1.06 0.73 -1.12 3.87 6.46 -1.61 -2.81 115.31 121.88 2o2p h LEU 517 Ca 0.34 -0.53 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 2o2p h LEU 517 Cb 0.02 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 39.70 2o2p h LEU 517 CO -0.10 1.12 0.60 0.00 -0.62 0.00 0.00 178.44 179.44 2o2p h ALA 518 N 0.63 1.38 -0.26 1.25 0.00 0.19 0.31 119.26 122.77 2o2p h ALA 518 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2o2p h ALA 518 Cb 0.98 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2o2p h ALA 518 CO 0.09 0.56 0.05 1.25 0.00 0.00 0.00 179.25 181.20 2o2p h LEU 519 N 1.19 0.40 -0.01 0.00 5.85 -0.81 0.32 115.31 122.24 2o2p h LEU 519 Ca 0.34 -0.24 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 2o2p h LEU 519 Cb -0.09 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 40.85 2o2p h LEU 519 CO -0.08 0.54 -0.77 0.50 -0.34 0.00 0.00 178.44 178.28 2o2p h LYS 520 N 0.24 0.55 0.00 1.25 3.64 -1.21 -1.35 116.57 119.69 2o2p h LYS 520 Ca 0.08 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2o2p h LYS 520 Cb 0.30 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2o2p h LYS 520 CO 0.00 1.19 0.00 2.41 -2.27 0.00 0.00 179.45 180.79 2o2p n THR 521 N -4.07 0.00 -0.21 1.00 -1.04 0.11 -3.19 114.28 106.88 2o2p n THR 521 Ca -0.10 0.34 0.02 0.00 -2.04 0.00 0.00 64.05 62.26 2o2p n THR 521 Cb 0.75 -1.32 0.12 0.00 -1.82 0.00 0.00 70.33 68.06 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 0.00 0.07 0.01 -1.42 3.86 -1.53 0.17 115.15 116.30 2o2p h HIS 522 Ca 0.00 0.04 -0.29 0.00 -1.16 0.00 0.00 60.37 58.96 2o2p h HIS 522 Cb 0.00 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 2o2p h HIS 522 CO 0.00 -0.12 -1.59 0.28 0.86 0.00 0.00 177.93 177.36 2o2p n VAL 523 N -5.22 1.54 -0.11 2.45 0.31 0.11 -3.66 118.33 113.76 2o2p n VAL 523 Ca 0.10 -0.14 -0.05 0.00 -0.01 0.00 0.00 64.34 64.23 2o2p n VAL 523 Cb 0.36 -1.99 0.01 0.00 -0.91 0.00 0.00 33.84 31.31 2o2p n VAL 523 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2o2p h GLY 524 N -0.87 0.20 1.85 2.92 0.00 -1.23 -0.82 103.07 105.12 2o2p h GLY 524 Ca -0.43 0.17 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 2o2p h GLY 524 CO -0.24 -0.16 -0.33 1.98 0.00 0.00 0.00 176.54 177.78 2o2p h MET 525 N -0.05 0.18 -0.71 4.80 4.05 -0.91 -1.81 114.93 120.48 2o2p h MET 525 Ca 0.18 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 2o2p h MET 525 Cb 0.33 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 2o2p h MET 525 CO -0.41 0.50 0.41 0.77 0.23 0.00 0.00 176.91 178.41 2o2p h SER 526 N 0.16 0.86 -0.31 1.39 0.02 -1.29 0.10 113.55 114.48 2o2p h SER 526 Ca 0.02 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 2o2p h SER 526 Cb 0.67 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2o2p h SER 526 CO 0.05 0.69 0.02 0.40 -1.14 0.00 0.00 176.83 176.85 2o2p h ILE 527 N 0.97 1.25 -0.92 3.27 2.04 -0.92 -2.10 117.51 121.09 2o2p h ILE 527 Ca 0.25 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.31 2o2p h ILE 527 Cb -0.01 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 2o2p h ILE 527 CO -0.04 0.29 0.59 1.56 0.00 0.00 0.00 178.15 180.55 2o2p h GLN 528 N 0.34 0.95 0.10 2.37 4.20 -1.06 -1.76 115.11 120.26 2o2p h GLN 528 Ca 0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2o2p h GLN 528 Cb 0.40 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2o2p h GLN 528 CO 0.01 0.63 -0.05 1.15 -0.67 0.00 0.00 178.83 179.90 2o2p h THR 529 N 0.97 0.99 -0.82 -0.54 2.02 -0.23 0.07 112.91 115.38 2o2p h THR 529 Ca 0.42 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2o2p h THR 529 Cb 0.32 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 2o2p h THR 529 CO -0.17 0.08 0.46 -0.26 0.37 0.00 0.00 175.52 176.00 2o2p h PHE 530 N -0.28 1.11 -0.62 3.16 -1.00 -1.22 -1.51 116.94 116.59 2o2p h PHE 530 Ca -0.01 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 2o2p h PHE 530 Cb 0.23 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 2o2p h PHE 530 CO -0.02 0.76 0.09 0.00 -1.61 0.00 0.00 178.31 177.53 2o2p h ARG 531 N 1.14 1.04 0.52 1.51 3.08 -1.17 0.09 114.38 120.58 2o2p h ARG 531 Ca 0.29 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2o2p h ARG 531 Cb 0.01 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 29.95 2o2p h ARG 531 CO -0.05 0.97 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.66 2o2p h TYR 532 N 0.94 -0.65 0.00 3.04 3.20 -0.71 -2.75 116.97 120.05 2o2p h TYR 532 Ca 0.19 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.95 2o2p h TYR 532 Cb 0.45 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2o2p h TYR 532 CO 0.03 -0.39 -0.45 0.74 -1.64 0.00 0.00 178.16 176.45 2o2p h PHE 533 N -0.71 0.00 -0.97 -3.82 0.04 -1.25 -2.01 116.94 108.21 2o2p h PHE 533 Ca -0.07 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.82 2o2p h PHE 533 Cb 0.54 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.61 2o2p h PHE 533 CO -0.04 0.45 0.60 0.00 -0.60 0.00 0.00 178.31 178.73 2o2p h ALA 534 N 1.55 1.47 0.00 2.45 0.00 -0.91 -0.52 119.26 123.29 2o2p h ALA 534 Ca -0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 534 Cb 0.81 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2o2p h ALA 534 CO 0.06 0.18 -0.15 0.78 0.00 0.00 0.00 179.25 180.11 2o2p h GLY 535 N 0.94 0.00 2.00 0.00 0.00 -1.06 -2.94 103.07 102.01 2o2p h GLY 535 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.73 2o2p h GLY 535 CO -0.28 0.00 -0.42 1.49 0.00 0.00 0.00 176.54 177.33 2o2p h TRP 536 N 0.00 0.00 -0.46 5.60 -0.00 -1.00 -3.39 115.95 116.69 2o2p h TRP 536 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 58.89 58.98 2o2p h TRP 536 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 29.16 29.54 2o2p h TRP 536 CO 0.00 0.42 -0.13 0.00 -0.00 0.00 0.00 178.44 178.73 2o2p n ASP 538 N -5.35 3.69 0.00 0.00 5.75 -1.26 -3.72 116.55 115.66 2o2p n ASP 538 Ca 0.04 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 2o2p n ASP 538 Cb 0.26 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 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 0.56 0.80 -2.61 0.11 5.02 0.30 -4.97 118.16 117.38 2o2p n LYS 539 Ca 0.18 -0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 55.14 2o2p n LYS 539 Cb 0.74 -0.95 -0.02 0.00 -0.02 0.00 0.00 35.03 34.78 2o2p n LYS 539 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o2p s ILE 540 N -0.43 4.43 0.00 -0.18 1.01 -0.88 -5.02 121.20 120.14 2o2p s ILE 540 Ca 0.00 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.33 2o2p s ILE 540 Cb 0.00 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 2o2p s ILE 540 CO 0.00 -0.53 -0.16 -1.10 0.00 0.00 0.00 174.94 173.15 2o2p s GLN 541 N 3.80 1.23 0.00 2.79 -0.21 -1.26 -4.96 119.66 121.05 2o2p s GLN 541 Ca 0.47 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 55.23 2o2p s GLN 541 Cb -0.12 -1.21 0.00 0.00 1.00 0.00 0.00 33.01 32.68 2o2p s GLN 541 CO 0.18 0.33 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2o2p n GLY 542 N 2.50 0.71 3.23 3.09 0.00 -1.26 -4.88 105.19 108.58 2o2p n GLY 542 Ca -0.15 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.25 1.31 -0.07 4.61 0.00 -1.20 -4.93 121.76 118.23 2o2p s ALA 543 Ca 0.00 -1.46 0.05 0.00 0.00 0.00 0.00 51.96 50.55 2o2p s ALA 543 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2o2p s ALA 543 CO 0.00 -0.16 -0.23 0.95 0.00 0.00 0.00 175.76 176.32 2o2p s THR 544 N -3.44 2.18 -0.08 0.00 -4.23 -1.26 -0.55 115.64 108.26 2o2p s THR 544 Ca 0.16 -1.01 0.03 0.00 -1.18 0.00 0.00 61.69 59.69 2o2p s THR 544 Cb 0.04 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 72.08 2o2p s THR 544 CO -0.01 0.57 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.85 2o2p s ILE 545 N -0.08 1.43 -1.44 2.99 1.01 -0.22 -5.01 121.20 119.88 2o2p s ILE 545 Ca -0.06 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2o2p s ILE 545 Cb -0.14 -1.27 0.05 0.00 0.01 0.00 0.00 42.46 41.10 2o2p s ILE 545 CO 0.04 0.42 2.22 -0.81 0.00 0.00 0.00 174.94 176.81 2o2p n PRO 546 N 3.74 3.00 -1.35 2.79 -0.04 -1.26 -4.18 135.00 137.70 2o2p n PRO 546 Ca -0.22 -2.71 -0.31 0.00 -0.04 0.00 0.00 63.50 60.23 2o2p n PRO 546 Cb 0.52 -3.22 0.09 0.00 -0.04 0.00 0.00 33.50 30.85 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 2.75 3.38 0.43 0.52 -0.00 -1.26 -4.99 121.20 122.03 2o2p s ILE 547 Ca 0.47 0.45 -0.26 0.00 -0.00 0.00 0.00 60.65 61.31 2o2p s ILE 547 Cb 0.14 -3.01 -0.09 0.00 -0.00 0.00 0.00 42.46 39.50 2o2p s ILE 547 CO -0.08 -0.58 1.40 0.20 -0.00 0.00 0.00 174.94 175.88 2o2p s ASN 548 N -3.53 6.02 -0.09 4.36 -0.87 -1.26 -4.98 114.94 114.59 2o2p s ASN 548 Ca 0.61 2.86 -0.12 0.00 -1.57 0.00 0.00 52.86 54.63 2o2p s ASN 548 Cb -0.16 -2.65 -0.05 0.00 -0.02 0.00 0.00 41.25 38.37 2o2p s ASN 548 CO 0.56 -1.07 0.30 -1.10 -2.57 0.00 0.00 177.10 173.22 2o2p s GLN 549 N -2.37 3.93 -1.52 -0.60 -1.52 -1.26 -4.85 119.66 111.46 2o2p s GLN 549 Ca 0.59 0.16 -0.13 0.00 -1.95 0.00 0.00 55.36 54.04 2o2p s GLN 549 Cb -0.42 -3.29 -0.01 0.00 -0.22 0.00 0.00 33.01 29.07 2o2p s GLN 549 CO 0.55 0.54 2.49 0.00 -0.25 0.00 0.00 175.29 178.62 2o2p n ALA 550 N 2.53 6.27 -1.71 6.09 0.00 -1.26 -4.96 120.51 127.47 2o2p n ALA 550 Ca -0.15 -3.76 -0.42 0.00 0.00 0.00 0.00 53.44 49.12 2o2p n ALA 550 Cb 0.53 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.50 2o2p n ALA 550 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2o2p n ARG 551 N 5.20 2.15 0.00 0.00 5.12 -1.26 -0.54 116.66 127.33 2o2p n ARG 551 Ca 0.62 0.76 0.09 0.00 -1.93 0.00 0.00 57.85 57.39 2o2p n ARG 551 Cb 0.33 -2.41 0.55 0.00 -1.16 0.00 0.00 32.46 29.77 2o2p n ARG 551 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2o2p n PRO 552 N 0.34 0.91 -2.60 5.56 -0.04 -1.26 -5.07 135.00 132.84 2o2p n PRO 552 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2o2p n PRO 552 Cb 0.38 -1.32 0.12 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.67 4.24 0.25 3.54 0.01 0.30 -5.12 114.94 116.49 2o2p s ASN 553 Ca 0.28 -0.44 0.12 0.00 -0.71 0.00 0.00 52.86 52.11 2o2p s ASN 553 Cb 0.13 0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.86 2o2p s ASN 553 CO 0.21 -1.95 -0.21 -0.13 -1.51 0.00 0.00 177.10 173.52 2o2p s ARG 554 N -5.18 1.61 0.03 -0.60 0.52 0.19 -3.98 118.95 111.55 2o2p s ARG 554 Ca 0.67 -1.69 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 2o2p s ARG 554 Cb -0.05 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.66 2o2p s ARG 554 CO 0.45 0.34 -0.11 -0.80 0.02 0.00 0.00 175.30 175.20 2o2p s ASN 555 N -3.26 1.29 -0.09 0.23 -0.87 -1.26 -0.77 114.94 110.21 2o2p s ASN 555 Ca 0.27 -0.42 0.03 0.00 -1.57 0.00 0.00 52.86 51.17 2o2p s ASN 555 Cb -0.06 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.12 2o2p s ASN 555 CO 0.13 -0.02 -0.17 -0.22 -2.57 0.00 0.00 177.10 174.26 2o2p s LEU 556 N -1.06 1.80 -0.09 0.60 2.96 -0.84 -4.92 118.68 117.13 2o2p s LEU 556 Ca -0.01 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2o2p s LEU 556 Cb -0.07 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.55 2o2p s LEU 556 CO 0.01 0.06 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.02 2o2p s THR 557 N 0.67 1.68 0.18 3.68 2.01 -1.26 -0.28 115.64 122.33 2o2p s THR 557 Ca -0.13 -0.80 0.03 0.00 0.31 0.00 0.00 61.69 61.10 2o2p s THR 557 Cb -0.16 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 2o2p s THR 557 CO 0.04 0.48 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.95 2o2p s LEU 558 N 0.52 2.21 0.08 4.42 0.05 -0.10 -1.05 118.68 124.81 2o2p s LEU 558 Ca -0.16 -1.16 0.10 0.00 0.05 0.00 0.00 54.13 52.96 2o2p s LEU 558 Cb -0.17 -0.16 -0.03 0.00 -2.05 0.00 0.00 46.19 43.78 2o2p s LEU 558 CO 0.06 -0.51 -0.26 0.42 -0.55 0.00 0.00 176.35 175.50 2o2p s THR 559 N -3.54 2.16 -0.17 5.48 -4.23 0.29 -0.29 115.64 115.33 2o2p s THR 559 Ca 0.24 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2o2p s THR 559 Cb 0.05 -1.87 0.02 0.00 1.34 0.00 0.00 72.50 72.04 2o2p s THR 559 CO 0.04 0.25 -0.20 -0.75 -0.54 0.00 0.00 174.62 173.42 2o2p s LYS 560 N -1.56 2.95 -0.13 3.99 2.36 0.28 -3.27 119.74 124.36 2o2p s LYS 560 Ca 0.12 -0.82 -0.28 0.00 -2.55 0.00 0.00 55.97 52.44 2o2p s LYS 560 Cb -0.10 -2.50 -0.01 0.00 -1.05 0.00 0.00 37.83 34.17 2o2p s LYS 560 CO 0.04 -0.16 0.94 0.15 1.55 0.00 0.00 175.35 177.87 2o2p s LYS 561 N 1.16 4.38 0.16 4.03 1.02 -1.26 -1.43 119.74 127.81 2o2p s LYS 561 Ca 0.02 1.25 0.08 0.00 0.02 0.00 0.00 55.97 57.33 2o2p s LYS 561 Cb -0.14 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2o2p s LYS 561 CO -0.10 -0.31 -0.16 -1.21 -0.92 0.00 0.00 175.35 172.65 2o2p s GLU 562 N 2.03 1.22 0.70 1.68 2.02 -0.29 -4.97 118.70 121.09 2o2p s GLU 562 Ca 0.45 -1.41 -0.15 0.00 0.02 0.00 0.00 54.97 53.88 2o2p s GLU 562 Cb -0.18 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 32.91 2o2p s GLU 562 CO 0.16 0.22 1.16 -2.14 0.02 0.00 0.00 175.26 174.68 2o2p s PRO 563 N -2.98 2.42 0.15 0.39 0.02 -1.25 -0.31 135.00 133.44 2o2p s PRO 563 Ca 0.16 1.58 0.05 0.00 0.02 0.00 0.00 61.00 62.81 2o2p s PRO 563 Cb -0.04 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 2o2p s PRO 563 CO 0.06 -1.58 1.35 -0.39 -0.33 0.00 0.00 177.00 176.10 2o2p h VAL 564 N -0.18 1.58 0.00 3.83 -1.51 -1.84 -3.41 116.25 114.73 2o2p h VAL 564 Ca -0.47 -2.92 0.00 0.00 -1.23 0.00 0.00 66.70 62.07 2o2p h VAL 564 Cb 1.27 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 33.06 2o2p h VAL 564 CO 0.51 0.84 0.00 0.61 -1.23 0.00 0.00 177.57 178.31 2o2p n GLY 565 N 1.04 0.03 3.69 5.19 0.00 -1.26 -4.87 105.19 109.01 2o2p n GLY 565 Ca -0.02 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 0.00 3.86 0.08 1.61 1.01 -1.26 -3.21 120.40 122.48 2o2p s VAL 566 Ca 0.00 1.22 0.07 0.00 0.00 0.00 0.00 61.98 63.27 2o2p s VAL 566 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2o2p s VAL 566 CO 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 175.10 174.96 2o2p s GLY 568 N -1.89 1.56 -0.04 0.00 0.00 -0.17 -1.15 107.32 105.63 2o2p s GLY 568 Ca 0.18 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 44.05 2o2p s GLY 568 CO 0.10 -0.25 -0.16 -0.26 0.00 0.00 0.00 173.10 172.53 2o2p s ILE 569 N 0.21 1.31 -0.18 0.90 -4.36 -0.36 -1.00 121.20 117.72 2o2p s ILE 569 Ca -0.07 -0.66 -0.01 0.00 -0.26 0.00 0.00 60.65 59.65 2o2p s ILE 569 Cb -0.15 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.43 2o2p s ILE 569 CO 0.05 0.38 -0.13 -0.69 0.24 0.00 0.00 174.94 174.79 2o2p s VAL 570 N 0.04 2.73 -0.12 8.37 1.01 -0.26 -0.47 120.40 131.69 2o2p s VAL 570 Ca -0.03 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 2o2p s VAL 570 Cb -0.11 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2o2p s VAL 570 CO 0.02 0.49 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 2o2p s ILE 571 N 1.16 3.72 0.96 2.22 -1.09 -0.15 -2.62 121.20 125.41 2o2p s ILE 571 Ca 0.01 -0.44 -0.16 0.00 -2.23 0.00 0.00 60.65 57.84 2o2p s ILE 571 Cb -0.14 -2.58 0.19 0.00 -1.58 0.00 0.00 42.46 38.35 2o2p s ILE 571 CO -0.05 0.54 1.30 -2.16 -1.23 0.00 0.00 174.94 173.33 2o2p s PRO 572 N -0.06 0.66 0.00 2.79 0.04 -1.25 -2.03 135.00 135.15 2o2p s PRO 572 Ca 0.01 -0.33 0.24 0.00 0.04 0.00 0.00 61.00 60.95 2o2p s PRO 572 Cb -0.13 -1.84 0.21 0.00 0.04 0.00 0.00 34.50 32.78 2o2p s PRO 572 CO 0.03 -2.41 1.22 -2.67 0.04 0.00 0.00 177.00 173.21 2o2p n TRP 573 N -3.78 0.00 -0.03 0.56 4.27 -1.26 -4.32 117.44 112.88 2o2p n TRP 573 Ca 0.14 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.63 2o2p n TRP 573 Cb 0.60 -0.05 -0.07 0.00 -1.36 0.00 0.00 31.31 30.43 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 1.68 0.16 -2.78 -0.67 -1.07 -1.95 -3.37 115.58 107.58 2o2p h ASN 574 Ca 0.00 -0.32 -0.60 0.00 0.07 0.00 0.00 56.30 55.45 2o2p h ASN 574 Cb 0.64 -0.04 -0.40 0.00 -2.07 0.00 0.00 38.32 36.45 2o2p h ASN 574 CO 0.00 0.45 -0.81 -0.31 0.07 0.00 0.00 177.43 176.82 2o2p s TYR 575 N -4.91 1.90 0.11 4.14 1.51 -1.26 -4.93 117.35 113.90 2o2p s TYR 575 Ca -0.14 -2.57 -0.28 0.00 -1.01 0.00 0.00 57.07 53.07 2o2p s TYR 575 Cb 0.05 -1.58 -0.08 0.00 -0.11 0.00 0.00 41.96 40.24 2o2p s TYR 575 CO 0.70 -0.74 1.63 -1.35 -1.11 0.00 0.00 175.55 174.67 2o2p h PRO 576 N 5.87 -0.48 -0.21 -1.71 0.11 -1.75 -0.11 132.00 133.71 2o2p h PRO 576 Ca 0.17 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.15 2o2p h PRO 576 Cb 0.87 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 2o2p h PRO 576 CO 0.48 -0.32 -0.56 1.25 -0.21 0.00 0.00 178.00 178.64 2o2p h LEU 577 N -0.50 0.70 -0.11 2.35 5.85 -1.92 -2.46 115.31 119.22 2o2p h LEU 577 Ca 0.04 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 2o2p h LEU 577 Cb 0.54 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 2o2p h LEU 577 CO -0.19 1.11 -0.04 -0.03 -0.34 0.00 0.00 178.44 178.95 2o2p h MET 578 N 0.48 0.22 -0.55 1.25 4.05 -1.58 0.10 114.93 118.90 2o2p h MET 578 Ca 0.01 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.28 2o2p h MET 578 Cb 1.12 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 2o2p h MET 578 CO 0.11 0.55 0.10 0.52 0.23 0.00 0.00 176.91 178.42 2o2p h MET 579 N -0.12 0.87 -0.40 0.39 2.86 -1.09 0.01 114.93 117.45 2o2p h MET 579 Ca 0.03 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2o2p h MET 579 Cb 0.48 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2o2p h MET 579 CO 0.01 0.80 0.17 1.25 1.06 0.00 0.00 176.91 180.20 2o2p h LEU 580 N 0.83 0.21 -0.43 1.22 6.46 -1.28 -2.99 115.31 119.33 2o2p h LEU 580 Ca 0.18 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.91 2o2p h LEU 580 Cb 0.35 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2o2p h LEU 580 CO 0.00 0.16 0.05 0.28 -0.62 0.00 0.00 178.44 178.31 2o2p h SER 581 N 0.35 0.70 -0.23 1.25 0.02 -0.08 -0.20 113.55 115.36 2o2p h SER 581 Ca 0.18 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.91 2o2p h SER 581 Cb 0.13 -0.19 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 2o2p h SER 581 CO -0.16 0.80 -0.33 -0.50 -1.14 0.00 0.00 176.83 175.49 2o2p h TRP 582 N 0.58 -0.93 -0.04 3.45 4.06 -0.95 -0.72 115.95 121.40 2o2p h TRP 582 Ca 0.13 0.05 -0.20 0.00 2.06 0.00 0.00 58.89 60.93 2o2p h TRP 582 Cb 0.41 0.44 0.01 0.00 -1.00 0.00 0.00 29.16 29.03 2o2p h TRP 582 CO 0.03 -0.40 -0.75 0.87 -3.56 0.00 0.00 178.44 174.63 2o2p h LYS 583 N -0.35 0.57 -0.55 0.49 1.57 -1.43 -3.19 116.57 113.67 2o2p h LYS 583 Ca 0.12 -0.56 -0.10 0.00 -1.87 0.00 0.00 60.65 58.23 2o2p h LYS 583 Cb 0.55 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2o2p h LYS 583 CO -0.43 1.19 -0.06 1.15 -0.57 0.00 0.00 179.45 180.73 2o2p h THR 584 N 0.17 1.27 -0.30 -0.16 2.02 -0.95 -0.95 112.91 114.01 2o2p h THR 584 Ca -0.08 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 2o2p h THR 584 Cb 1.42 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 2o2p h THR 584 CO 0.15 0.43 0.09 0.00 0.37 0.00 0.00 175.52 176.56 2o2p h ALA 585 N 0.94 0.39 -0.44 6.16 0.00 -1.22 0.01 119.26 125.10 2o2p h ALA 585 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2o2p h ALA 585 Cb 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2o2p h ALA 585 CO 0.04 0.02 0.08 0.00 0.00 0.00 0.00 179.25 179.40 2o2p h ALA 586 N 0.93 0.58 0.07 0.00 0.00 -1.52 -0.09 119.26 119.23 2o2p h ALA 586 Ca 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2o2p h ALA 586 Cb 0.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2o2p h ALA 586 CO -0.00 0.29 -0.18 0.00 0.00 0.00 0.00 179.25 179.35 2o2p h LEU 588 N -0.33 0.97 -1.65 0.00 3.38 -0.98 -2.63 115.31 114.07 2o2p h LEU 588 Ca 0.03 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.70 2o2p h LEU 588 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2o2p h LEU 588 CO -0.12 1.10 0.27 0.00 0.09 0.00 0.00 178.44 179.78 2o2p h ALA 589 N 0.99 1.79 0.00 1.53 0.00 -0.83 -0.79 119.26 121.95 2o2p h ALA 589 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2o2p h ALA 589 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2o2p h ALA 589 CO 0.05 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2o2p n ALA 590 N -2.49 2.33 -0.22 0.00 0.00 -0.84 -4.58 120.51 114.71 2o2p n ALA 590 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2o2p n ALA 590 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 1.03 0.88 3.92 0.00 0.00 -0.30 -3.97 105.19 106.74 2o2p n GLY 591 Ca 0.12 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.03 4.58 0.34 1.61 0.01 -1.01 -4.86 114.94 113.57 2o2p s ASN 592 Ca 0.00 0.59 0.09 0.00 -0.71 0.00 0.00 52.86 52.83 2o2p s ASN 592 Cb 0.00 -1.13 -0.06 0.00 0.41 0.00 0.00 41.25 40.47 2o2p s ASN 592 CO 0.00 -1.81 -0.04 0.42 -1.51 0.00 0.00 177.10 174.17 2o2p s THR 593 N -3.44 2.44 -0.02 1.60 -4.23 -1.20 -4.53 115.64 106.28 2o2p s THR 593 Ca 0.62 -2.08 -0.08 0.00 -1.18 0.00 0.00 61.69 58.97 2o2p s THR 593 Cb -0.10 -2.73 0.01 0.00 1.34 0.00 0.00 72.50 71.01 2o2p s THR 593 CO 0.47 -0.20 0.17 0.54 -0.54 0.00 0.00 174.62 175.06 2o2p s VAL 594 N -2.56 0.06 -0.17 2.29 0.11 -0.04 -1.01 120.40 119.07 2o2p s VAL 594 Ca 0.34 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2o2p s VAL 594 Cb 0.01 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.46 2o2p s VAL 594 CO 0.18 -0.27 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.81 2o2p s VAL 595 N -1.00 2.28 -0.15 2.04 1.01 -0.30 -1.72 120.40 122.56 2o2p s VAL 595 Ca -0.11 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 2o2p s VAL 595 Cb -0.06 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2o2p s VAL 595 CO 0.01 0.53 -0.03 -0.63 0.00 0.00 0.00 175.10 174.98 2o2p s ILE 596 N 1.14 3.98 -0.42 2.22 1.01 0.83 -1.22 121.20 128.74 2o2p s ILE 596 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 2o2p s ILE 596 Cb -0.14 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.70 2o2p s ILE 596 CO -0.08 0.50 0.23 -0.75 0.00 0.00 0.00 174.94 174.85 2o2p s LYS 597 N 0.21 2.09 0.64 2.79 2.47 0.38 -0.83 119.74 127.49 2o2p s LYS 597 Ca -0.02 -1.82 -0.13 0.00 -1.56 0.00 0.00 55.97 52.44 2o2p s LYS 597 Cb -0.14 -3.65 -0.02 0.00 -1.46 0.00 0.00 37.83 32.56 2o2p s LYS 597 CO 0.03 -1.10 1.05 -1.25 0.16 0.00 0.00 175.35 174.24 2o2p s PRO 598 N 1.17 3.20 0.46 4.03 0.04 -1.26 -0.97 135.00 141.66 2o2p s PRO 598 Ca 0.08 1.05 -0.24 0.00 0.04 0.00 0.00 61.00 61.93 2o2p s PRO 598 Cb -0.23 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2o2p s PRO 598 CO -0.04 -0.90 1.12 0.00 0.04 0.00 0.00 177.00 177.23 2o2p n ALA 599 N -2.53 0.70 -0.32 8.56 0.00 -0.86 -4.60 120.51 121.44 2o2p n ALA 599 Ca 0.08 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.76 2o2p n ALA 599 Cb 0.53 -2.17 0.19 0.00 0.00 0.00 0.00 19.45 17.99 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 1.58 0.90 0.00 0.00 4.15 -1.91 -1.60 115.11 118.22 2o2p h GLN 600 Ca -0.47 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.90 2o2p h GLN 600 Cb 1.32 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2o2p h GLN 600 CO 0.57 0.59 0.00 1.33 -1.93 0.00 0.00 178.83 179.39 2o2p n VAL 601 N -4.66 0.66 -3.20 2.39 0.24 -1.26 -4.21 118.33 108.28 2o2p n VAL 601 Ca 0.15 0.09 -0.23 0.00 -2.04 0.00 0.00 64.34 62.31 2o2p n VAL 601 Cb 0.27 -0.86 -0.06 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.86 -0.24 0.14 3.34 -2.24 -0.60 -4.75 114.28 108.07 2o2p n THR 602 Ca 0.04 -4.28 0.08 0.00 -2.27 0.00 0.00 64.05 57.62 2o2p n THR 602 Cb 0.27 -1.58 0.05 0.00 -2.10 0.00 0.00 70.33 66.97 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 3.77 0.00 -0.29 -0.78 0.13 -1.73 -3.39 132.00 129.71 2o2p h PRO 603 Ca 0.09 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 2o2p h PRO 603 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2o2p h PRO 603 CO 0.51 0.16 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.15 2o2p h LEU 604 N 0.00 0.69 -1.09 1.56 3.38 -1.92 -2.39 115.31 115.54 2o2p h LEU 604 Ca -0.03 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2o2p h LEU 604 Cb 1.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2o2p h LEU 604 CO 0.02 0.99 -0.31 0.71 0.09 0.00 0.00 178.44 179.94 2o2p h THR 605 N 0.40 1.27 -0.62 0.22 1.35 -1.89 -1.58 112.91 112.06 2o2p h THR 605 Ca 0.06 -1.27 0.01 0.00 -0.55 0.00 0.00 66.41 64.65 2o2p h THR 605 Cb 0.77 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 2o2p h THR 605 CO 0.06 0.38 0.41 0.00 -0.25 0.00 0.00 175.52 176.12 2o2p h ALA 606 N 1.46 0.79 -0.16 6.62 0.00 -1.79 0.17 119.26 126.36 2o2p h ALA 606 Ca 0.03 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2o2p h ALA 606 Cb 0.67 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2o2p h ALA 606 CO 0.05 0.21 -0.48 -0.07 0.00 0.00 0.00 179.25 178.96 2o2p h LEU 607 N 0.83 0.44 -0.25 0.00 3.38 -1.03 -0.59 115.31 118.10 2o2p h LEU 607 Ca 0.23 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2o2p h LEU 607 Cb -0.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2o2p h LEU 607 CO -0.06 0.86 -0.15 0.50 0.09 0.00 0.00 178.44 179.68 2o2p h LYS 608 N 0.33 0.54 -0.63 1.13 1.63 -1.08 -2.67 116.57 115.83 2o2p h LYS 608 Ca 0.02 -0.25 0.13 0.00 -0.85 0.00 0.00 60.65 59.70 2o2p h LYS 608 Cb 0.97 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.49 2o2p h LYS 608 CO 0.08 0.82 0.04 0.35 -3.45 0.00 0.00 179.45 177.29 2o2p h PHE 609 N 0.26 0.02 -0.56 1.91 3.57 -0.47 -0.91 116.94 120.77 2o2p h PHE 609 Ca 0.05 0.04 0.11 0.00 3.53 0.00 0.00 57.97 61.70 2o2p h PHE 609 Cb 0.67 0.09 -0.09 0.00 2.79 0.00 0.00 35.95 39.41 2o2p h PHE 609 CO 0.07 -0.14 0.06 0.00 -2.23 0.00 0.00 178.31 176.07 2o2p h ALA 610 N 1.56 0.60 -0.99 2.41 0.00 -0.90 -0.17 119.26 121.77 2o2p h ALA 610 Ca 0.33 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.40 2o2p h ALA 610 Cb 0.54 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2o2p h ALA 610 CO -0.51 -0.35 0.65 1.49 0.00 0.00 0.00 179.25 180.53 2o2p h GLU 611 N 0.18 1.28 0.00 0.00 4.81 -0.93 -1.97 114.58 117.96 2o2p h GLU 611 Ca 0.29 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2o2p h GLU 611 Cb 0.44 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 2o2p h GLU 611 CO -0.42 0.85 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.52 2o2p h LEU 612 N 1.32 0.00 -1.22 1.64 3.38 0.22 -1.60 115.31 119.05 2o2p h LEU 612 Ca 0.37 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.26 2o2p h LEU 612 Cb -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2o2p h LEU 612 CO -0.09 0.12 -0.31 0.71 0.09 0.00 0.00 178.44 178.96 2o2p h THR 613 N 0.00 1.25 -0.22 0.22 1.35 -0.43 -1.16 112.91 113.91 2o2p h THR 613 Ca -0.00 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 64.62 2o2p h THR 613 Cb 0.23 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 2o2p h THR 613 CO 0.02 0.35 -0.01 -0.07 -0.25 0.00 0.00 175.52 175.55 2o2p h LEU 614 N 0.12 0.40 -1.71 3.87 3.38 -1.24 -1.26 115.31 118.86 2o2p h LEU 614 Ca 0.02 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2o2p h LEU 614 Cb 0.62 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2o2p h LEU 614 CO 0.05 0.63 0.17 0.11 0.09 0.00 0.00 178.44 179.49 2o2p h LYS 615 N 0.16 0.36 -0.00 1.13 1.57 -1.01 -2.07 116.57 116.72 2o2p h LYS 615 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2o2p h LYS 615 Cb 0.43 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2o2p h LYS 615 CO 0.01 0.25 -0.21 0.00 -0.57 0.00 0.00 179.45 178.94 2o2p n ALA 616 N -2.50 2.88 -1.83 3.86 0.00 -0.48 -4.95 120.51 117.50 2o2p n ALA 616 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 53.44 53.16 2o2p n ALA 616 Cb 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 0.33 3.70 0.00 0.00 -0.78 -4.74 105.19 105.13 2o2p n GLY 617 Ca 0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.22 3.26 0.47 -0.61 -1.09 -0.51 -4.94 121.20 115.55 2o2p s ILE 618 Ca 0.00 0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 58.99 2o2p s ILE 618 Cb 0.00 -3.51 -0.09 0.00 -1.58 0.00 0.00 42.46 37.28 2o2p s ILE 618 CO 0.00 0.03 1.09 -2.65 -1.23 0.00 0.00 174.94 172.18 2o2p n PRO 619 N 4.77 1.41 -1.92 2.79 -0.02 -1.26 -4.72 135.00 136.06 2o2p n PRO 619 Ca 0.13 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2o2p n PRO 619 Cb 0.42 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 -2.30 4.21 0.00 -0.52 1.02 -1.26 -2.34 119.74 118.55 2o2p s LYS 620 Ca 0.66 2.41 0.00 0.00 0.02 0.00 0.00 55.97 59.06 2o2p s LYS 620 Cb -0.50 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 2o2p s LYS 620 CO 0.54 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 2o2p n GLY 621 N 2.65 1.32 0.25 -3.33 0.00 -1.26 -4.71 105.19 100.10 2o2p n GLY 621 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 1.28 -3.27 1.61 2.07 -1.75 -3.25 116.25 112.94 2o2p h VAL 622 Ca 0.00 -1.39 -0.64 0.00 0.82 0.00 0.00 66.70 65.49 2o2p h VAL 622 Cb 0.00 1.33 -0.34 0.00 -1.52 0.00 0.00 31.29 30.77 2o2p h VAL 622 CO 0.00 0.45 -0.86 -0.69 0.02 0.00 0.00 177.57 176.49 2o2p s VAL 623 N -4.48 1.81 -0.01 2.57 1.01 -1.26 -0.86 120.40 119.18 2o2p s VAL 623 Ca -0.08 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.08 2o2p s VAL 623 Cb 0.13 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2o2p s VAL 623 CO 0.82 0.50 -0.10 0.20 0.00 0.00 0.00 175.10 176.53 2o2p s ASN 624 N 0.74 1.18 -0.06 3.32 0.01 -0.70 -4.60 114.94 114.84 2o2p s ASN 624 Ca -0.10 -0.18 0.02 0.00 -0.71 0.00 0.00 52.86 51.89 2o2p s ASN 624 Cb -0.16 -0.18 0.01 0.00 0.41 0.00 0.00 41.25 41.33 2o2p s ASN 624 CO 0.01 0.11 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.96 2o2p s ILE 625 N -0.11 1.09 -0.55 0.60 1.01 0.70 -0.12 121.20 123.81 2o2p s ILE 625 Ca 0.02 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.24 2o2p s ILE 625 Cb -0.05 -0.99 0.16 0.00 0.01 0.00 0.00 42.46 41.59 2o2p s ILE 625 CO -0.00 0.34 0.37 -0.76 0.00 0.00 0.00 174.94 174.89 2o2p s LEU 626 N 0.55 3.37 0.68 2.97 1.43 -0.01 -1.38 118.68 126.29 2o2p s LEU 626 Ca -0.12 -3.28 -0.16 0.00 -1.03 0.00 0.00 54.13 49.54 2o2p s LEU 626 Cb -0.14 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.91 2o2p s LEU 626 CO 0.03 -0.16 1.21 -2.16 0.23 0.00 0.00 176.35 175.50 2o2p s PRO 627 N -0.52 2.47 0.00 1.29 0.04 -1.26 -4.44 135.00 132.58 2o2p s PRO 627 Ca 0.24 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2o2p s PRO 627 Cb -0.09 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2o2p s PRO 627 CO -0.12 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.75 2o2p n GLY 628 N 0.43 0.29 3.70 0.56 0.00 -1.26 -1.33 105.19 107.58 2o2p n GLY 628 Ca 0.14 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 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 6.94 0.17 1.61 0.15 -1.26 -3.87 113.70 113.44 2o2p s SER 629 Ca 0.00 2.09 -0.13 0.00 0.70 0.00 0.00 55.95 58.60 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 -0.62 1.78 1.23 1.20 0.00 0.00 173.24 176.83 2o2p h GLY 630 N 7.59 0.82 0.88 9.45 0.00 -1.97 -1.20 103.07 118.66 2o2p h GLY 630 Ca -0.39 -0.37 0.01 0.00 0.00 0.00 0.00 47.33 46.58 2o2p h GLY 630 CO 0.87 0.36 -0.03 1.48 0.00 0.00 0.00 176.54 179.22 2o2p h SER 631 N 0.74 -0.08 0.60 0.19 4.64 -1.98 -0.78 113.55 116.89 2o2p h SER 631 Ca 0.19 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.50 2o2p h SER 631 Cb 0.04 0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 2o2p h SER 631 CO -0.03 -0.04 -0.29 0.25 -0.87 0.00 0.00 176.83 175.85 2o2p h LEU 632 N -0.03 -0.69 -0.05 5.97 6.46 -1.91 -1.95 115.31 123.11 2o2p h LEU 632 Ca 0.02 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 2o2p h LEU 632 Cb 0.07 0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2o2p h LEU 632 CO -0.05 -0.46 -0.39 0.58 -0.62 0.00 0.00 178.44 177.50 2o2p h VAL 633 N -0.86 1.43 -0.78 1.05 2.07 -1.27 -2.09 116.25 115.80 2o2p h VAL 633 Ca -0.08 -1.83 0.01 0.00 0.82 0.00 0.00 66.70 65.61 2o2p h VAL 633 Cb 0.64 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.79 2o2p h VAL 633 CO 0.14 0.53 0.51 1.23 0.02 0.00 0.00 177.57 179.99 2o2p h GLY 634 N -0.16 1.10 0.85 2.17 0.00 -1.24 -0.63 103.07 105.17 2o2p h GLY 634 Ca -0.03 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 2o2p h GLY 634 CO 0.08 0.41 0.01 -1.61 0.00 0.00 0.00 176.54 175.43 2o2p h GLN 635 N 1.06 0.05 -0.70 4.80 5.75 -1.34 -1.55 115.11 123.17 2o2p h GLN 635 Ca 0.28 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.73 2o2p h GLN 635 Cb -0.11 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 2o2p h GLN 635 CO -0.06 0.19 0.26 -0.09 -2.65 0.00 0.00 178.83 176.48 2o2p h ARG 636 N -0.10 1.06 -0.55 1.69 9.65 -1.19 -1.02 114.38 123.91 2o2p h ARG 636 Ca 0.01 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.68 2o2p h ARG 636 Cb 0.16 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 2o2p h ARG 636 CO -0.00 0.89 0.34 -0.07 2.80 0.00 0.00 179.97 183.93 2o2p h LEU 637 N 1.00 0.66 -1.43 3.80 3.38 -1.06 -1.30 115.31 120.36 2o2p h LEU 637 Ca 0.23 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2o2p h LEU 637 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2o2p h LEU 637 CO -0.01 0.51 -0.22 0.77 0.09 0.00 0.00 178.44 179.57 2o2p h SER 638 N 0.74 0.00 1.17 -0.43 4.64 -0.99 -2.88 113.55 115.80 2o2p h SER 638 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2o2p h SER 638 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2o2p h SER 638 CO -0.04 0.22 -0.70 0.44 -0.87 0.00 0.00 176.83 175.89 2o2p h ASP 639 N 0.00 0.00 -3.23 4.97 3.32 -0.83 -3.30 116.42 117.34 2o2p h ASP 639 Ca -0.00 -0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.47 2o2p h ASP 639 Cb 0.59 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.16 2o2p h ASP 639 CO 0.03 0.03 0.62 -2.28 -1.72 0.00 0.00 179.24 175.91 2o2p s HIS 640 N -3.28 3.35 -0.04 4.55 2.46 -0.52 -4.83 115.29 116.98 2o2p s HIS 640 Ca 0.03 1.22 0.31 0.00 0.47 0.00 0.00 55.06 57.08 2o2p s HIS 640 Cb 0.10 -3.52 1.35 0.00 -0.13 0.00 0.00 32.58 30.38 2o2p s HIS 640 CO 0.75 -1.67 1.92 -1.00 -2.47 0.00 0.00 174.74 172.27 2o2p h PRO 641 N 6.24 0.00 -0.00 2.88 0.13 -1.90 -3.01 132.00 136.34 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 0.81 0.00 -0.82 -0.25 -0.23 0.00 0.00 178.00 177.50 2o2p n ASP 642 N -2.76 1.09 -4.75 1.44 10.43 -1.26 -4.89 116.55 115.86 2o2p n ASP 642 Ca 0.01 -0.97 -0.40 0.00 2.57 0.00 0.00 54.79 56.00 2o2p n ASP 642 Cb 0.24 0.78 -0.05 0.00 1.84 0.00 0.00 41.12 43.92 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 -2.90 4.57 -0.33 2.53 1.01 -1.14 -4.44 120.40 119.70 2o2p s VAL 643 Ca 0.11 1.76 0.07 0.00 0.00 0.00 0.00 61.98 63.92 2o2p s VAL 643 Cb 0.17 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.30 2o2p s VAL 643 CO 0.79 0.40 0.29 0.54 0.00 0.00 0.00 175.10 177.12 2o2p n ARG 644 N 2.46 4.71 -3.64 2.72 5.12 0.23 -4.82 116.66 123.44 2o2p n ARG 644 Ca -0.02 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.78 2o2p n ARG 644 Cb 0.49 -0.83 -0.07 0.00 -1.16 0.00 0.00 32.46 30.90 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 -1.65 0.78 -0.07 5.56 2.36 -1.22 -1.79 119.74 123.71 2o2p s LYS 645 Ca 0.03 1.05 0.04 0.00 -2.55 0.00 0.00 55.97 54.53 2o2p s LYS 645 Cb 0.05 0.32 -0.02 0.00 -1.05 0.00 0.00 37.83 37.13 2o2p s LYS 645 CO 0.28 -0.11 -0.18 0.42 1.55 0.00 0.00 175.35 177.30 2o2p s ILE 646 N 0.76 2.66 -0.19 5.43 -1.09 0.03 -1.00 121.20 127.80 2o2p s ILE 646 Ca -0.03 -0.85 -0.02 0.00 -2.23 0.00 0.00 60.65 57.52 2o2p s ILE 646 Cb -0.05 -2.03 -0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2o2p s ILE 646 CO -0.05 0.57 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.29 2o2p s GLY 647 N -0.23 1.54 -0.06 6.18 0.00 -0.17 -1.64 107.32 112.94 2o2p s GLY 647 Ca -0.00 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.64 2o2p s GLY 647 CO 0.03 0.23 -0.13 -0.12 0.00 0.00 0.00 173.10 173.11 2o2p s PHE 648 N 1.13 1.48 -0.09 1.90 5.36 -0.61 -1.10 117.98 126.05 2o2p s PHE 648 Ca 0.01 -0.53 0.02 0.00 -0.96 0.00 0.00 56.93 55.47 2o2p s PHE 648 Cb -0.14 -1.07 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 2o2p s PHE 648 CO -0.03 -0.26 -0.15 0.99 -1.46 0.00 0.00 175.22 174.30 2o2p s THR 649 N 0.59 1.44 -3.20 0.12 2.01 -1.08 -1.12 115.64 114.39 2o2p s THR 649 Ca -0.13 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.24 2o2p s THR 649 Cb -0.15 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.06 2o2p s THR 649 CO 0.04 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 2o2p n GLY 650 N 3.97 -0.56 3.81 4.40 0.00 -0.72 -3.84 105.19 112.25 2o2p n GLY 650 Ca -0.20 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 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 6.25 0.14 1.61 1.04 -1.26 -4.18 113.70 113.30 2o2p s SER 651 Ca 0.00 1.77 -0.18 0.00 0.48 0.00 0.00 55.95 58.02 2o2p s SER 651 Cb 0.00 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2o2p s SER 651 CO 0.00 -0.84 1.74 0.74 0.98 0.00 0.00 173.24 175.86 2o2p h THR 652 N 0.99 0.89 -0.55 2.02 2.02 -1.94 -0.05 112.91 116.29 2o2p h THR 652 Ca -0.48 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2o2p h THR 652 Cb 1.21 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 2o2p h THR 652 CO 0.59 0.03 0.01 -0.33 0.37 0.00 0.00 175.52 176.19 2o2p h GLU 653 N 0.18 0.96 -0.43 6.66 4.39 -1.96 -0.36 114.58 124.02 2o2p h GLU 653 Ca 0.13 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2o2p h GLU 653 Cb 0.12 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2o2p h GLU 653 CO -0.16 0.96 0.15 0.28 -1.16 0.00 0.00 179.01 179.08 2o2p h VAL 654 N 0.84 1.21 -0.39 3.13 2.07 -1.91 -2.66 116.25 118.52 2o2p h VAL 654 Ca 0.16 -0.68 0.03 0.00 0.82 0.00 0.00 66.70 67.03 2o2p h VAL 654 Cb 0.52 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 2o2p h VAL 654 CO 0.03 0.24 0.19 1.23 0.02 0.00 0.00 177.57 179.28 2o2p h GLY 655 N 0.55 0.53 0.71 2.17 0.00 -0.71 0.35 103.07 106.68 2o2p h GLY 655 Ca 0.14 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.41 2o2p h GLY 655 CO -0.01 0.09 0.62 0.50 0.00 0.00 0.00 176.54 177.74 2o2p h LYS 656 N 0.38 1.08 0.00 4.80 1.57 -1.04 -0.92 116.57 122.44 2o2p h LYS 656 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2o2p h LYS 656 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2o2p h LYS 656 CO -0.13 0.71 -0.22 0.45 -0.57 0.00 0.00 179.45 179.69 2o2p h HIS 657 N 1.11 0.00 -0.06 -1.35 3.86 -1.03 -1.08 115.15 116.59 2o2p h HIS 657 Ca 0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.63 2o2p h HIS 657 Cb 0.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 2o2p h HIS 657 CO -0.01 0.22 0.01 0.82 0.86 0.00 0.00 177.93 179.83 2o2p h ILE 658 N 0.00 1.22 -0.79 2.45 1.08 -0.50 -2.04 117.51 118.93 2o2p h ILE 658 Ca -0.00 -0.67 -0.04 0.00 -0.39 0.00 0.00 64.86 63.76 2o2p h ILE 658 Cb 1.16 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 36.42 2o2p h ILE 658 CO 0.03 0.18 0.33 -0.03 -0.69 0.00 0.00 178.15 177.98 2o2p h MET 659 N -0.14 1.17 -0.53 2.37 4.05 -1.03 0.11 114.93 120.92 2o2p h MET 659 Ca 0.02 -0.20 0.02 0.00 -0.28 0.00 0.00 59.70 59.26 2o2p h MET 659 Cb 0.28 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 2o2p h MET 659 CO 0.00 0.94 0.33 -0.22 0.23 0.00 0.00 176.91 178.19 2o2p h LYS 660 N 1.14 0.64 -0.31 0.39 3.64 -1.23 -2.03 116.57 118.81 2o2p h LYS 660 Ca 0.27 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2o2p h LYS 660 Cb 0.19 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2o2p h LYS 660 CO -0.03 0.42 -0.16 0.77 -2.27 0.00 0.00 179.45 178.19 2o2p h SER 661 N 0.66 0.53 -0.74 4.20 0.02 -0.72 -1.83 113.55 115.67 2o2p h SER 661 Ca 0.21 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2o2p h SER 661 Cb -0.01 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2o2p h SER 661 CO -0.08 0.72 0.45 0.00 -1.14 0.00 0.00 176.83 176.78 2o2p h ALA 663 N 1.24 0.12 0.00 0.00 0.00 -0.86 -1.72 119.26 118.05 2o2p h ALA 663 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2o2p h ALA 663 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2o2p h ALA 663 CO -0.05 -0.30 0.00 -0.07 0.00 0.00 0.00 179.25 178.83 2o2p h LEU 664 N 0.00 0.00 0.00 0.00 3.38 -1.30 -3.30 115.31 114.10 2o2p h LEU 664 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2o2p h LEU 664 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 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 -2.42 0.00 -1.08 -0.43 3.41 -1.05 -4.92 113.62 107.14 2o2p n SER 665 Ca 0.05 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2o2p n SER 665 Cb 0.43 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.51 1.10 -4.25 4.04 6.94 -1.22 -4.99 115.26 116.38 2o2p n ASN 666 Ca 0.00 -2.50 -0.34 0.00 -0.02 0.00 0.00 54.58 51.73 2o2p n ASN 666 Cb 0.00 -0.35 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 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 -0.04 -1.30 -1.70 3.53 0.24 -0.65 -4.93 118.33 113.48 2o2p n VAL 667 Ca 0.09 -0.23 -0.36 0.00 -2.04 0.00 0.00 64.34 61.80 2o2p n VAL 667 Cb 0.96 -1.53 0.07 0.00 -1.47 0.00 0.00 33.84 31.87 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 -7.01 2.50 0.61 7.34 -2.85 -1.17 -4.96 119.74 114.19 2o2p s LYS 668 Ca 0.42 1.92 -0.17 0.00 -1.00 0.00 0.00 55.97 57.14 2o2p s LYS 668 Cb -0.24 -1.86 -0.03 0.00 -2.06 0.00 0.00 37.83 33.65 2o2p s LYS 668 CO 0.96 -1.60 1.13 0.15 0.10 0.00 0.00 175.35 176.09 2o2p s LYS 669 N -3.54 3.02 -0.03 1.78 1.02 -0.74 -4.75 119.74 116.51 2o2p s LYS 669 Ca 0.79 1.55 -0.05 0.00 0.02 0.00 0.00 55.97 58.28 2o2p s LYS 669 Cb -0.33 -1.97 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2o2p s LYS 669 CO 0.40 -1.10 0.12 0.54 -0.92 0.00 0.00 175.35 174.39 2o2p s VAL 670 N -1.99 0.03 0.08 3.17 0.11 -1.26 -0.79 120.40 119.75 2o2p s VAL 670 Ca 0.71 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 59.57 2o2p s VAL 670 Cb -0.23 -0.27 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 2o2p s VAL 670 CO 0.34 -0.15 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.32 2o2p s SER 671 N -0.47 2.55 -0.03 3.54 0.01 -0.65 -4.95 113.70 113.70 2o2p s SER 671 Ca -0.05 -0.62 0.01 0.00 1.31 0.00 0.00 55.95 56.59 2o2p s SER 671 Cb -0.04 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.04 2o2p s SER 671 CO 0.00 0.11 -0.04 -0.76 0.41 0.00 0.00 173.24 172.96 2o2p s LEU 672 N -1.61 1.55 -0.20 2.44 1.43 -0.80 -1.57 118.68 119.92 2o2p s LEU 672 Ca 0.07 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 2o2p s LEU 672 Cb -0.10 -0.34 0.05 0.00 0.03 0.00 0.00 46.19 45.84 2o2p s LEU 672 CO 0.03 -0.02 -0.04 -0.70 0.23 0.00 0.00 176.35 175.86 2o2p s GLU 673 N 0.54 1.38 -0.20 1.70 -6.30 -0.28 -1.31 118.70 114.24 2o2p s GLU 673 Ca -0.06 -0.69 0.13 0.00 -2.50 0.00 0.00 54.97 51.85 2o2p s GLU 673 Cb -0.10 -2.27 0.41 0.00 0.00 0.00 0.00 34.13 32.18 2o2p s GLU 673 CO -0.00 -0.54 1.27 1.28 0.02 0.00 0.00 175.26 177.30 2o2p n LEU 674 N 4.82 3.03 0.00 2.70 4.77 0.43 -1.75 117.00 131.01 2o2p n LEU 674 Ca -0.11 -3.56 0.00 0.00 -0.03 0.00 0.00 56.01 52.31 2o2p n LEU 674 Cb 0.46 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2o2p n LEU 674 CO 0.17 1.11 -0.00 0.61 -1.33 0.00 0.00 177.39 177.94 2o2p n GLY 675 N -1.15 -2.13 3.83 -0.72 0.00 -1.26 -4.30 105.19 99.46 2o2p n GLY 675 Ca 0.21 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.71 2o2p n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2o2p s GLY 676 N -1.28 0.08 -0.48 -0.02 0.00 -1.25 -4.50 107.32 99.86 2o2p s GLY 676 Ca 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 44.72 44.31 2o2p s GLY 676 CO 0.00 -0.18 0.52 1.17 0.00 0.00 0.00 173.10 174.61 2o2p n LYS 677 N -0.48 1.05 -2.70 2.90 3.00 -1.26 -4.57 118.16 116.09 2o2p n LYS 677 Ca -0.05 -3.62 -0.42 0.00 -0.00 0.00 0.00 58.31 54.22 2o2p n LYS 677 Cb 0.59 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.96 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 -1.16 7.23 0.15 3.14 0.01 -1.26 -4.72 113.70 117.10 2o2p s SER 678 Ca 0.34 1.51 -0.20 0.00 1.31 0.00 0.00 55.95 58.91 2o2p s SER 678 Cb 0.11 -2.55 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 2o2p s SER 678 CO -0.12 -0.44 0.67 -2.16 0.41 0.00 0.00 173.24 171.60 2o2p s PRO 679 N 2.00 4.29 -0.17 12.44 0.04 -1.26 -0.04 135.00 152.31 2o2p s PRO 679 Ca 0.48 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.39 2o2p s PRO 679 Cb -0.18 -3.10 0.03 0.00 0.04 0.00 0.00 34.50 31.29 2o2p s PRO 679 CO 0.18 0.53 -0.16 -1.17 0.04 0.00 0.00 177.00 176.41 2o2p s LEU 680 N -1.49 2.03 -0.25 -3.56 2.96 -0.06 -0.66 118.68 117.66 2o2p s LEU 680 Ca 0.36 -0.65 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 2o2p s LEU 680 Cb -0.19 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2o2p s LEU 680 CO 0.22 -0.05 0.09 -0.63 -1.32 0.00 0.00 176.35 174.66 2o2p s ILE 681 N 1.38 4.55 -0.29 6.68 1.01 0.24 -0.60 121.20 134.16 2o2p s ILE 681 Ca 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2o2p s ILE 681 Cb -0.14 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2o2p s ILE 681 CO -0.11 0.34 -0.01 -0.63 0.00 0.00 0.00 174.94 174.53 2o2p s ILE 682 N 1.50 3.00 0.36 2.92 1.01 0.62 -1.05 121.20 129.56 2o2p s ILE 682 Ca 0.06 -1.31 -0.10 0.00 0.00 0.00 0.00 60.65 59.30 2o2p s ILE 682 Cb -0.15 -2.69 -0.07 0.00 0.01 0.00 0.00 42.46 39.57 2o2p s ILE 682 CO 0.05 -0.05 0.71 -0.36 0.00 0.00 0.00 174.94 175.29 2o2p s PHE 683 N 1.27 3.45 0.52 3.97 0.08 -0.62 -1.57 117.98 125.08 2o2p s PHE 683 Ca -0.04 1.01 0.35 0.00 0.12 0.00 0.00 56.93 58.37 2o2p s PHE 683 Cb -0.19 -2.40 1.92 0.00 -0.57 0.00 0.00 43.02 41.78 2o2p s PHE 683 CO -0.01 0.00 2.23 0.00 -0.10 0.00 0.00 175.22 177.33 2o2p h ALA 684 N 1.61 1.21 -0.31 5.36 0.00 -1.88 -2.16 119.26 123.09 2o2p h ALA 684 Ca -0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 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 0.65 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 2o2p n ASP 685 N -3.42 2.28 -4.84 0.00 5.68 -1.26 -4.90 116.55 110.09 2o2p n ASP 685 Ca -0.02 -2.15 -0.29 0.00 -0.50 0.00 0.00 54.79 51.83 2o2p n ASP 685 Cb 0.14 -0.35 0.10 0.00 -1.14 0.00 0.00 41.12 39.87 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 -4.45 6.47 0.07 0.00 3.68 -1.26 -4.91 116.67 116.27 2o2p s ASP 687 Ca 0.63 0.38 -0.20 0.00 2.13 0.00 0.00 52.55 55.49 2o2p s ASP 687 Cb -0.12 -2.55 -0.10 0.00 -1.45 0.00 0.00 42.92 38.70 2o2p s ASP 687 CO 0.50 -1.41 1.50 0.25 0.13 0.00 0.00 175.17 176.14 2o2p h LEU 688 N 11.81 0.36 -1.01 -1.34 5.85 -1.94 0.88 115.31 129.92 2o2p h LEU 688 Ca -0.25 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2o2p h LEU 688 Cb 1.07 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 2o2p h LEU 688 CO 1.15 0.59 0.48 0.78 -0.34 0.00 0.00 178.44 181.10 2o2p h ASN 689 N 0.12 1.05 -0.56 1.25 2.35 -2.00 0.02 115.58 117.81 2o2p h ASN 689 Ca 0.06 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2o2p h ASN 689 Cb 0.41 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2o2p h ASN 689 CO 0.01 0.83 0.05 0.50 -1.65 0.00 0.00 177.43 177.17 2o2p h LYS 690 N 1.19 0.99 -0.63 0.81 3.64 -1.93 -2.15 116.57 118.48 2o2p h LYS 690 Ca 0.30 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2o2p h LYS 690 Cb 0.00 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2o2p h LYS 690 CO -0.05 0.95 0.26 0.00 -2.27 0.00 0.00 179.45 178.34 2o2p h ALA 691 N 1.12 1.28 -0.20 5.00 0.00 -0.05 -0.18 119.26 126.22 2o2p h ALA 691 Ca 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2o2p h ALA 691 Cb 0.47 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2o2p h ALA 691 CO 0.02 0.54 0.01 0.28 0.00 0.00 0.00 179.25 180.10 2o2p h VAL 692 N 0.90 1.25 0.17 0.00 2.07 -0.75 0.28 116.25 120.16 2o2p h VAL 692 Ca 0.22 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2o2p h VAL 692 Cb 0.16 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2o2p h VAL 692 CO -0.02 0.25 -0.08 1.56 0.02 0.00 0.00 177.57 179.30 2o2p h GLN 693 N 0.12 -0.22 -0.22 1.57 1.08 -1.11 -0.71 115.11 115.62 2o2p h GLN 693 Ca 0.06 0.01 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2o2p h GLN 693 Cb 0.37 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2o2p h GLN 693 CO 0.01 -0.07 -0.40 0.52 -0.95 0.00 0.00 178.83 177.94 2o2p h MET 694 N -0.32 0.51 -0.47 1.46 2.86 -1.07 -1.78 114.93 116.12 2o2p h MET 694 Ca -0.02 -0.26 -0.06 0.00 -2.06 0.00 0.00 59.70 57.30 2o2p h MET 694 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 2o2p h MET 694 CO 0.04 0.83 0.05 0.78 1.06 0.00 0.00 176.91 179.67 2o2p h GLY 695 N 1.08 0.86 0.98 8.32 0.00 -0.40 0.78 103.07 114.69 2o2p h GLY 695 Ca 0.04 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 2o2p h GLY 695 CO 0.08 0.55 0.15 -0.33 0.00 0.00 0.00 176.54 176.99 2o2p h MET 696 N 0.66 0.33 -0.35 4.80 2.07 -1.05 -2.79 114.93 118.60 2o2p h MET 696 Ca 0.14 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.71 2o2p h MET 696 Cb 0.43 -0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.07 2o2p h MET 696 CO 0.01 0.25 0.10 1.03 1.07 0.00 0.00 176.91 179.38 2o2p h SER 697 N 0.31 0.46 -0.09 1.22 0.87 -1.12 0.15 113.55 115.35 2o2p h SER 697 Ca 0.09 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2o2p h SER 697 Cb 0.00 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2o2p h SER 697 CO -0.02 0.46 0.07 0.77 -0.53 0.00 0.00 176.83 177.58 2o2p h SER 698 N 0.50 0.00 0.00 6.23 4.64 -0.57 -2.04 113.55 122.32 2o2p h SER 698 Ca 0.12 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.98 2o2p h SER 698 Cb 0.17 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.19 2o2p h SER 698 CO -0.01 0.00 -2.54 0.52 -0.87 0.00 0.00 176.83 173.93 2o2p n VAL 699 N -4.41 1.51 0.70 0.95 0.31 -0.87 -1.15 118.33 115.38 2o2p n VAL 699 Ca -0.01 -0.40 0.12 0.00 -0.01 0.00 0.00 64.34 64.04 2o2p n VAL 699 Cb 0.18 -1.84 0.25 0.00 -0.91 0.00 0.00 33.84 31.53 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 0.44 -1.65 3.52 3.72 0.46 -3.59 117.46 116.21 2o2p n PHE 700 Ca -0.54 0.13 -0.45 0.00 -0.05 0.00 0.00 57.45 56.54 2o2p n PHE 700 Cb 0.90 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 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 -1.96 1.93 -3.94 1.38 7.35 -0.77 -1.67 117.46 119.78 2o2p n PHE 701 Ca 0.04 0.52 -0.27 0.00 -0.76 0.00 0.00 57.45 56.99 2o2p n PHE 701 Cb 0.41 -2.40 -0.01 0.00 0.35 0.00 0.00 39.48 37.83 2o2p n PHE 701 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2o2p n ASN 702 N 1.88 -1.43 -3.35 -2.13 5.15 -1.26 -1.17 115.26 112.94 2o2p n ASN 702 Ca 0.11 -0.94 -0.22 0.00 -0.60 0.00 0.00 54.58 52.93 2o2p n ASN 702 Cb 0.31 -3.31 -0.02 0.00 -0.53 0.00 0.00 39.78 36.23 2o2p n ASN 702 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 2o2p n LYS 703 N -4.41 -2.75 -0.81 1.20 0.00 -0.67 -1.34 118.16 109.38 2o2p n LYS 703 Ca -0.21 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 2o2p n LYS 703 Cb 0.64 -4.96 0.00 0.00 -0.00 0.00 0.00 35.03 30.71 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 -1.00 0.72 3.50 2.58 0.00 -0.32 -3.36 105.19 107.31 2o2p n GLY 704 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2o2p n GLY 704 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2o2p s GLU 705 N -0.32 4.02 -0.30 1.61 2.02 -0.45 -3.34 118.70 121.95 2o2p s GLU 705 Ca 0.00 -2.34 -0.05 0.00 0.02 0.00 0.00 54.97 52.60 2o2p s GLU 705 Cb 0.00 -5.19 0.17 0.00 0.10 0.00 0.00 34.13 29.21 2o2p s GLU 705 CO 0.00 -1.91 0.66 1.21 0.02 0.00 0.00 175.26 175.24 2o2p s ASN 706 N 3.30 -1.23 0.56 -0.19 3.04 -1.26 -4.66 114.94 114.49 2o2p s ASN 706 Ca 0.45 1.03 0.32 0.00 0.04 0.00 0.00 52.86 54.69 2o2p s ASN 706 Cb -0.01 2.14 1.63 0.00 -1.54 0.00 0.00 41.25 43.46 2o2p s ASN 706 CO 0.01 -0.23 2.12 0.00 -3.04 0.00 0.00 177.10 175.96 2o2p n ILE 708 N -3.45 1.02 -1.56 0.00 -5.35 -1.26 -3.97 119.36 104.79 2o2p n ILE 708 Ca -0.02 -1.01 -0.44 0.00 -0.27 0.00 0.00 62.75 61.02 2o2p n ILE 708 Cb 0.21 0.49 -0.01 0.00 -1.74 0.00 0.00 39.64 38.59 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 1.50 -0.59 -1.99 -1.28 0.00 -0.68 -4.86 120.51 112.61 2o2p n ALA 709 Ca 0.23 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.60 2o2p n ALA 709 Cb 0.61 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.12 3.25 -0.71 0.00 0.00 -0.30 -4.07 121.76 118.82 2o2p s ALA 710 Ca 0.60 0.63 0.24 0.00 0.00 0.00 0.00 51.96 53.42 2o2p s ALA 710 Cb -0.70 -3.88 0.20 0.00 0.00 0.00 0.00 23.12 18.75 2o2p s ALA 710 CO 0.59 -1.99 1.18 0.41 0.00 0.00 0.00 175.76 175.94 2o2p n GLY 711 N 4.76 -1.26 2.96 0.00 0.00 0.95 -4.60 105.19 107.99 2o2p n GLY 711 Ca 0.20 -0.36 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.14 0.11 -0.20 1.61 0.52 -1.07 -4.61 118.95 112.17 2o2p s ARG 712 Ca 0.06 0.18 -0.04 0.00 -0.52 0.00 0.00 55.73 55.42 2o2p s ARG 712 Cb 0.15 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 2o2p s ARG 712 CO 0.76 -0.05 -0.04 -0.51 0.02 0.00 0.00 175.30 175.49 2o2p s LEU 713 N 0.28 3.00 -0.27 2.53 1.02 0.19 -0.88 118.68 124.55 2o2p s LEU 713 Ca -0.02 -0.31 -0.09 0.00 0.02 0.00 0.00 54.13 53.73 2o2p s LEU 713 Cb -0.03 -1.75 -0.04 0.00 0.02 0.00 0.00 46.19 44.39 2o2p s LEU 713 CO -0.01 0.05 0.13 -0.36 0.02 0.00 0.00 176.35 176.18 2o2p s PHE 714 N 1.09 3.15 -0.10 0.29 0.40 0.23 -0.29 117.98 122.75 2o2p s PHE 714 Ca 0.01 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 2o2p s PHE 714 Cb -0.15 -2.31 0.01 0.00 0.51 0.00 0.00 43.02 41.08 2o2p s PHE 714 CO 0.00 -0.26 -0.20 0.08 0.70 0.00 0.00 175.22 175.54 2o2p s VAL 715 N 1.69 1.81 0.31 -0.44 1.01 0.24 -0.28 120.40 124.75 2o2p s VAL 715 Ca 0.07 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2o2p s VAL 715 Cb -0.16 -1.59 -0.11 0.00 0.00 0.00 0.00 36.38 34.52 2o2p s VAL 715 CO 0.07 0.50 1.57 1.21 0.00 0.00 0.00 175.10 178.46 2o2p n GLU 716 N 3.77 2.70 -0.38 2.72 2.13 -0.61 -2.38 120.64 128.60 2o2p n GLU 716 Ca -0.20 0.96 0.01 0.00 0.66 0.00 0.00 57.16 58.59 2o2p n GLU 716 Cb 0.52 -2.73 0.07 0.00 0.27 0.00 0.00 31.44 29.57 2o2p n GLU 716 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2o2p h GLU 717 N 4.38 -0.00 0.00 5.31 4.39 -1.13 -1.38 114.58 126.16 2o2p h GLU 717 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.22 2o2p h GLU 717 Cb 1.23 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2o2p h GLU 717 CO 0.76 -0.00 -0.03 0.66 -1.16 0.00 0.00 179.01 179.24 2o2p h SER 718 N -0.00 0.00 -0.01 1.42 4.64 -1.90 -2.58 113.55 115.12 2o2p h SER 718 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2o2p h SER 718 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 2o2p h SER 718 CO -1.00 0.03 -0.23 2.30 -0.87 0.00 0.00 176.83 177.06 2o2p n ILE 719 N -3.21 0.00 0.06 0.95 -5.35 -0.60 -4.78 119.36 106.42 2o2p n ILE 719 Ca -0.01 -0.38 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 2o2p n ILE 719 Cb 0.21 1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 39.21 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 1.46 -0.73 -0.67 4.28 2.76 -0.92 0.48 115.15 121.80 2o2p h HIS 720 Ca 0.00 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.12 2o2p h HIS 720 Cb 0.43 0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 2o2p h HIS 720 CO 0.00 -0.36 0.12 -0.91 -1.30 0.00 0.00 177.93 175.47 2o2p h ASN 721 N -0.42 1.05 -0.48 3.26 2.35 -1.87 -1.40 115.58 118.08 2o2p h ASN 721 Ca 0.06 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 2o2p h ASN 721 Cb 0.50 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2o2p h ASN 721 CO -0.23 1.04 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.87 2o2p h GLN 722 N 1.03 0.96 0.01 0.81 4.15 -1.83 -1.71 115.11 118.53 2o2p h GLN 722 Ca 0.21 -0.34 0.01 0.00 0.77 0.00 0.00 58.65 59.29 2o2p h GLN 722 Cb 0.43 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2o2p h GLN 722 CO 0.01 1.01 -0.08 0.35 -1.93 0.00 0.00 178.83 178.19 2o2p h PHE 723 N 0.85 -0.21 -0.50 3.99 3.04 -0.55 -1.55 116.94 122.02 2o2p h PHE 723 Ca 0.14 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.08 2o2p h PHE 723 Cb 0.65 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.23 2o2p h PHE 723 CO 0.04 -0.13 0.28 0.28 -2.02 0.00 0.00 178.31 176.76 2o2p h VAL 724 N -0.15 1.17 -0.55 1.41 2.07 -1.18 -0.55 116.25 118.48 2o2p h VAL 724 Ca 0.03 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.17 2o2p h VAL 724 Cb 0.18 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2o2p h VAL 724 CO -0.08 0.18 0.29 1.56 0.02 0.00 0.00 177.57 179.54 2o2p h GLN 725 N 0.66 0.54 -0.56 1.57 4.20 -1.20 -0.88 115.11 119.44 2o2p h GLN 725 Ca 0.18 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 2o2p h GLN 725 Cb 0.04 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2o2p h GLN 725 CO -0.03 0.36 -0.04 0.87 -0.67 0.00 0.00 178.83 179.32 2o2p h LYS 726 N 0.56 1.02 -0.17 1.46 1.57 -1.00 -1.87 116.57 118.14 2o2p h LYS 726 Ca 0.24 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2o2p h LYS 726 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2o2p h LYS 726 CO -0.16 1.03 0.05 0.28 -0.57 0.00 0.00 179.45 180.08 2o2p h VAL 727 N 0.90 0.94 -0.58 0.50 2.07 -0.71 -1.70 116.25 117.67 2o2p h VAL 727 Ca 0.15 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.67 2o2p h VAL 727 Cb 0.60 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2o2p h VAL 727 CO 0.04 0.02 0.33 0.58 0.02 0.00 0.00 177.57 178.56 2o2p h VAL 728 N 0.12 1.02 -0.82 2.57 2.07 -0.99 0.18 116.25 120.41 2o2p h VAL 728 Ca 0.07 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2o2p h VAL 728 Cb 0.05 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 2o2p h VAL 728 CO -0.09 0.12 0.51 -0.33 0.02 0.00 0.00 177.57 177.80 2o2p h GLU 729 N 0.65 0.91 0.00 1.57 5.08 -1.12 -2.31 114.58 119.35 2o2p h GLU 729 Ca 0.24 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.33 2o2p h GLU 729 Cb 0.08 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2o2p h GLU 729 CO -0.13 0.60 -0.93 0.93 -1.00 0.00 0.00 179.01 178.48 2o2p h GLU 730 N 0.93 0.37 -0.82 2.33 4.39 -0.39 -3.16 114.58 118.25 2o2p h GLU 730 Ca 0.35 -0.40 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2o2p h GLU 730 Cb 0.14 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2o2p h GLU 730 CO -0.16 1.08 0.54 0.28 -1.16 0.00 0.00 179.01 179.59 2o2p h VAL 731 N 0.21 1.16 0.00 3.13 2.07 -0.45 -2.04 116.25 120.33 2o2p h VAL 731 Ca -0.07 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 2o2p h VAL 731 Cb 1.56 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2o2p h VAL 731 CO 0.16 0.19 -0.06 -0.33 0.02 0.00 0.00 177.57 177.55 2o2p h GLU 732 N 1.05 0.00 -0.00 1.57 5.08 -1.38 -1.98 114.58 118.91 2o2p h GLU 732 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2o2p h GLU 732 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2o2p h GLU 732 CO -0.08 0.06 -0.21 1.63 -1.00 0.00 0.00 179.01 179.41 2o2p n LYS 733 N -3.34 0.65 -2.27 2.33 5.02 -0.77 -4.91 118.16 114.87 2o2p n LYS 733 Ca -0.01 -0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 55.56 2o2p n LYS 733 Cb 0.22 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.56 4.44 -0.43 1.97 -1.94 -0.75 -5.00 119.30 115.04 2o2p s MET 734 Ca 0.24 2.01 -0.15 0.00 -1.71 0.00 0.00 55.69 56.08 2o2p s MET 734 Cb 0.19 -3.18 0.04 0.00 2.01 0.00 0.00 34.83 33.89 2o2p s MET 734 CO 0.52 -0.14 0.34 0.15 -0.01 0.00 0.00 175.02 175.88 2o2p s LYS 735 N -0.65 2.98 -0.19 2.03 1.02 -1.26 -5.00 119.74 118.67 2o2p s LYS 735 Ca 0.53 -1.10 -0.15 0.00 0.02 0.00 0.00 55.97 55.27 2o2p s LYS 735 Cb -0.36 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 32.89 2o2p s LYS 735 CO 0.41 -0.84 0.37 0.42 -0.92 0.00 0.00 175.35 174.79 2o2p s ILE 736 N 1.71 5.22 -2.41 2.17 1.01 -1.26 -0.45 121.20 127.19 2o2p s ILE 736 Ca 0.05 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2o2p s ILE 736 Cb -0.20 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2o2p s ILE 736 CO 0.09 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2o2p n GLY 737 N 3.83 -0.66 3.68 6.18 0.00 -0.91 -4.97 105.19 112.34 2o2p n GLY 737 Ca -0.09 -0.87 -0.48 0.00 0.00 0.00 0.00 46.02 44.58 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 0.24 3.33 0.14 1.61 2.85 -1.26 -4.50 115.26 117.67 2o2p n ASN 738 Ca 0.00 1.01 0.11 0.00 -0.11 0.00 0.00 54.58 55.59 2o2p n ASN 738 Cb 0.00 -1.39 0.52 0.00 1.24 0.00 0.00 39.78 40.15 2o2p n ASN 738 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2o2p n PRO 739 N 5.56 0.15 0.01 1.20 -0.04 -1.26 -1.68 135.00 138.94 2o2p n PRO 739 Ca 0.21 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.34 2o2p n PRO 739 Cb 0.29 -1.90 0.47 0.00 -0.04 0.00 0.00 33.50 32.32 2o2p n PRO 739 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2o2p n LEU 740 N -2.21 0.24 -4.73 1.53 4.77 -1.26 -0.65 117.00 114.68 2o2p n LEU 740 Ca 0.00 0.32 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 2o2p n LEU 740 Cb 0.11 -0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2o2p n LEU 740 CO 0.13 0.03 0.43 -1.61 -1.33 0.00 0.00 177.39 175.05 2o2p s GLU 741 N -3.01 4.45 0.51 3.23 0.41 -0.68 -4.93 118.70 118.68 2o2p s GLU 741 Ca 0.13 0.97 0.22 0.00 -0.41 0.00 0.00 54.97 55.87 2o2p s GLU 741 Cb 0.18 -3.41 1.34 0.00 -1.78 0.00 0.00 34.13 30.46 2o2p s GLU 741 CO 0.60 0.15 2.08 0.00 -0.49 0.00 0.00 175.26 177.60 2o2p h ARG 742 N 6.31 0.00 0.00 1.61 2.47 -1.88 -2.01 114.38 120.88 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 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2o2p h ARG 742 CO 0.73 0.12 0.00 0.38 0.56 0.00 0.00 179.97 181.76 2o2p h ASP 743 N 0.00 0.00 -3.20 7.04 3.04 -1.93 -3.46 116.42 117.90 2o2p h ASP 743 Ca -0.00 0.00 -0.53 0.00 -3.24 0.00 0.00 57.03 53.26 2o2p h ASP 743 Cb 0.26 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 38.61 2o2p h ASP 743 CO 0.02 0.00 0.83 -0.89 -2.04 0.00 0.00 179.24 177.15 2o2p s THR 744 N -3.15 2.49 0.00 1.15 2.01 -0.76 -4.70 115.64 112.68 2o2p s THR 744 Ca 0.09 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.48 2o2p s THR 744 Cb 0.10 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.36 2o2p s THR 744 CO 0.61 0.05 0.58 -0.46 -0.69 0.00 0.00 174.62 174.72 2o2p n ASN 745 N 2.78 0.90 -3.73 3.53 2.04 0.40 -4.98 115.26 116.20 2o2p n ASN 745 Ca 0.09 -1.34 -0.27 0.00 -0.44 0.00 0.00 54.58 52.62 2o2p n ASN 745 Cb 0.39 0.00 -0.17 0.00 -2.53 0.00 0.00 39.78 37.47 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 -0.34 0.92 0.84 -2.53 5.04 -0.63 -4.91 115.29 113.68 2o2p s HIS 746 Ca 0.00 -0.72 -0.08 0.00 -1.54 0.00 0.00 55.06 52.71 2o2p s HIS 746 Cb 0.00 -0.97 0.16 0.00 0.04 0.00 0.00 32.58 31.81 2o2p s HIS 746 CO 0.00 -0.56 1.16 0.20 -2.34 0.00 0.00 174.74 173.20 2o2p s GLY 747 N 1.89 1.77 0.66 1.59 0.00 -1.26 -2.13 107.32 109.83 2o2p s GLY 747 Ca 0.00 -1.46 -0.12 0.00 0.00 0.00 0.00 44.72 43.15 2o2p s GLY 747 CO -0.08 -0.79 1.05 2.56 0.00 0.00 0.00 173.10 175.84 2o2p s PRO 748 N -5.52 3.19 0.88 2.90 0.04 -1.26 -4.75 135.00 130.48 2o2p s PRO 748 Ca 0.70 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 2o2p s PRO 748 Cb -0.05 -2.02 0.12 0.00 0.04 0.00 0.00 34.50 32.59 2o2p s PRO 748 CO 0.49 -0.90 1.11 -0.65 0.04 0.00 0.00 177.00 177.09 2o2p s GLN 749 N -4.92 1.36 0.23 4.56 -1.52 0.63 -4.71 119.66 115.30 2o2p s GLN 749 Ca 0.58 1.22 -0.05 0.00 -1.95 0.00 0.00 55.36 55.16 2o2p s GLN 749 Cb -0.13 -1.79 0.22 0.00 -0.22 0.00 0.00 33.01 31.09 2o2p s GLN 749 CO 0.51 -2.28 1.69 -0.97 -0.25 0.00 0.00 175.29 173.99 2o2p h ASN 750 N -1.60 0.85 -5.04 5.90 -0.73 -1.86 -3.44 115.58 109.67 2o2p h ASN 750 Ca -0.46 -0.24 0.00 0.00 1.87 0.00 0.00 56.30 57.47 2o2p h ASN 750 Cb 1.26 -0.23 -0.09 0.00 0.27 0.00 0.00 38.32 39.53 2o2p h ASN 750 CO 0.48 0.95 0.14 -1.38 -0.37 0.00 0.00 177.43 177.25 2o2p s HIS 751 N -4.89 -0.27 0.16 0.67 -3.43 -1.26 -4.55 115.29 101.72 2o2p s HIS 751 Ca -0.10 -0.06 -0.14 0.00 -0.80 0.00 0.00 55.06 53.96 2o2p s HIS 751 Cb 0.14 0.52 0.05 0.00 -1.43 0.00 0.00 32.58 31.87 2o2p s HIS 751 CO 0.83 -0.98 1.75 1.49 -2.00 0.00 0.00 174.74 175.83 2o2p h GLU 752 N 2.09 0.76 -0.68 -0.38 4.81 -1.95 -2.41 114.58 116.81 2o2p h GLU 752 Ca -0.28 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 2o2p h GLU 752 Cb 1.27 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 2o2p h GLU 752 CO 0.34 0.62 0.45 0.00 -0.73 0.00 0.00 179.01 179.68 2o2p h ALA 753 N 1.10 1.57 -0.35 2.92 0.00 -1.99 -0.97 119.26 121.53 2o2p h ALA 753 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 2o2p h ALA 753 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2o2p h ALA 753 CO -0.02 0.38 -0.15 1.25 0.00 0.00 0.00 179.25 180.71 2o2p h HIS 754 N 0.87 0.83 -0.47 0.00 -0.00 -1.88 -1.81 115.15 112.69 2o2p h HIS 754 Ca 0.26 -0.20 0.07 0.00 -0.00 0.00 0.00 60.37 60.51 2o2p h HIS 754 Cb -0.02 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.14 2o2p h HIS 754 CO -0.00 0.91 0.11 1.25 -0.00 0.00 0.00 177.93 180.20 2o2p h LEU 755 N 0.51 0.05 -0.42 0.26 5.85 -0.92 -1.38 115.31 119.26 2o2p h LEU 755 Ca 0.08 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.91 2o2p h LEU 755 Cb 0.68 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2o2p h LEU 755 CO 0.05 0.06 0.21 0.03 -0.34 0.00 0.00 178.44 178.44 2o2p h ARG 756 N 0.26 0.41 -1.00 1.25 3.08 -1.03 -1.66 114.38 115.69 2o2p h ARG 756 Ca 0.23 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.33 2o2p h ARG 756 Cb 0.28 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.17 2o2p h ARG 756 CO -0.28 0.27 0.64 0.87 -1.07 0.00 0.00 179.97 180.40 2o2p h LYS 757 N 0.42 1.10 -0.55 0.04 1.79 -0.80 -1.32 116.57 117.25 2o2p h LYS 757 Ca 0.18 -0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.48 2o2p h LYS 757 Cb 0.09 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2o2p h LYS 757 CO -0.13 0.73 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.85 2o2p h LEU 758 N 1.13 0.99 -0.22 2.94 3.38 -0.55 0.12 115.31 123.10 2o2p h LEU 758 Ca 0.44 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2o2p h LEU 758 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2o2p h LEU 758 CO -0.19 1.09 0.13 0.58 0.09 0.00 0.00 178.44 180.14 2o2p h VAL 759 N 0.88 1.04 -0.75 1.22 2.07 -0.62 -1.98 116.25 118.10 2o2p h VAL 759 Ca 0.15 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 2o2p h VAL 759 Cb 0.61 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2o2p h VAL 759 CO 0.04 0.05 0.29 -0.33 0.02 0.00 0.00 177.57 177.64 2o2p h GLU 760 N 0.28 1.12 -0.54 1.57 5.08 -1.10 -1.93 114.58 119.05 2o2p h GLU 760 Ca 0.08 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2o2p h GLU 760 Cb -0.02 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.01 2o2p h GLU 760 CO -0.03 0.92 0.27 -0.92 -1.00 0.00 0.00 179.01 178.24 2o2p h TYR 761 N 1.08 0.49 -0.09 4.33 5.03 -0.50 -0.58 116.97 126.73 2o2p h TYR 761 Ca 0.25 0.02 -0.17 0.00 2.58 0.00 0.00 58.73 61.41 2o2p h TYR 761 Cb 0.22 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 2o2p h TYR 761 CO 0.02 0.22 -0.68 0.00 -1.32 0.00 0.00 178.16 176.40 2o2p h GLN 763 N 0.28 0.47 -0.65 0.00 4.20 -0.97 -1.16 115.11 117.28 2o2p h GLN 763 Ca -0.02 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 2o2p h GLN 763 Cb 1.24 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 2o2p h GLN 763 CO 0.12 0.31 0.26 -0.09 -0.67 0.00 0.00 178.83 178.76 2o2p h ARG 764 N 0.48 0.97 -0.54 1.46 2.43 -0.88 0.19 114.38 118.49 2o2p h ARG 764 Ca 0.23 -0.17 0.08 0.00 -0.81 0.00 0.00 59.98 59.30 2o2p h ARG 764 Cb 0.15 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2o2p h ARG 764 CO -0.17 0.81 0.19 0.78 -1.51 0.00 0.00 179.97 180.07 2o2p h GLY 765 N 0.91 0.73 0.80 2.80 0.00 -0.86 -0.43 103.07 107.02 2o2p h GLY 765 Ca 0.22 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.39 2o2p h GLY 765 CO -0.02 -0.00 -0.08 -2.08 0.00 0.00 0.00 176.54 174.36 2o2p h VAL 766 N 0.37 1.30 -0.89 4.60 2.07 -0.91 -1.92 116.25 120.86 2o2p h VAL 766 Ca 0.26 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.74 2o2p h VAL 766 Cb 0.30 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.63 2o2p h VAL 766 CO -0.27 0.33 0.56 0.50 0.02 0.00 0.00 177.57 178.72 2o2p h LYS 767 N 0.10 0.99 -0.00 1.57 3.64 -0.61 -1.98 116.57 120.27 2o2p h LYS 767 Ca 0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2o2p h LYS 767 Cb 0.55 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2o2p h LYS 767 CO 0.03 0.65 -0.02 -0.85 -2.27 0.00 0.00 179.45 176.99 2o2p n GLU 768 N -4.59 1.08 0.00 1.90 0.28 -0.20 -4.92 120.64 114.18 2o2p n GLU 768 Ca 0.13 -0.28 0.00 0.00 -0.16 0.00 0.00 57.16 56.85 2o2p n GLU 768 Cb 0.18 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.56 2o2p n GLU 768 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2o2p n GLY 769 N 1.11 0.84 3.78 -1.84 0.00 -0.74 -5.05 105.19 103.29 2o2p n GLY 769 Ca 0.21 0.00 -0.33 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 2.61 -0.39 4.61 0.00 -0.74 -4.95 121.76 120.90 2o2p s ALA 770 Ca 0.00 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 2o2p s ALA 770 Cb 0.00 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.83 2o2p s ALA 770 CO 0.00 -1.00 0.70 0.99 0.00 0.00 0.00 175.76 176.45 2o2p s THR 771 N -2.23 4.80 -0.61 0.00 2.01 -0.23 -4.48 115.64 114.91 2o2p s THR 771 Ca 0.67 0.56 -0.28 0.00 0.31 0.00 0.00 61.69 62.96 2o2p s THR 771 Cb -0.20 -4.17 0.03 0.00 0.01 0.00 0.00 72.50 68.17 2o2p s THR 771 CO 0.36 -0.45 1.27 -0.22 -0.69 0.00 0.00 174.62 174.89 2o2p s LEU 772 N 2.91 3.37 -0.04 4.42 2.96 -1.26 -0.75 118.68 130.29 2o2p s LEU 772 Ca 0.27 0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.99 2o2p s LEU 772 Cb -0.14 -3.00 -0.31 0.00 0.50 0.00 0.00 46.19 43.24 2o2p s LEU 772 CO 0.17 -1.63 0.91 0.58 -1.32 0.00 0.00 176.35 175.06 2o2p h VAL 773 N 6.19 1.50 -3.35 1.68 2.07 -1.10 -3.48 116.25 119.76 2o2p h VAL 773 Ca -0.26 -2.52 -0.05 0.00 0.82 0.00 0.00 66.70 64.69 2o2p h VAL 773 Cb 1.06 3.17 -0.13 0.00 -1.52 0.00 0.00 31.29 33.88 2o2p h VAL 773 CO 1.21 0.72 -0.04 0.00 0.02 0.00 0.00 177.57 179.48 2o2p n GLY 775 N -0.25 0.51 0.14 0.00 0.00 -1.25 -1.83 105.19 102.50 2o2p n GLY 775 Ca -0.16 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.16 3.38 -0.02 0.00 -1.26 -4.97 105.19 102.48 2o2p n GLY 776 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2o2p n GLY 776 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2o2p s ASN 777 N -2.15 2.68 0.33 1.61 0.01 -1.26 -4.74 114.94 111.42 2o2p s ASN 777 Ca 0.00 -1.08 -0.29 0.00 -0.71 0.00 0.00 52.86 50.78 2o2p s ASN 777 Cb 0.00 -0.15 -0.11 0.00 0.41 0.00 0.00 41.25 41.40 2o2p s ASN 777 CO 0.00 -0.22 1.44 -1.58 -1.51 0.00 0.00 177.10 175.23 2o2p s GLN 778 N -3.67 4.20 0.04 -0.60 0.74 -1.26 -1.27 119.66 117.84 2o2p s GLN 778 Ca 0.25 2.43 -0.30 0.00 0.05 0.00 0.00 55.36 57.79 2o2p s GLN 778 Cb 0.01 -3.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.04 2o2p s GLN 778 CO 0.09 -0.43 1.19 0.08 -0.55 0.00 0.00 175.29 175.67 2o2p s VAL 779 N -0.81 4.12 -1.24 1.34 1.01 -0.26 -4.83 120.40 119.73 2o2p s VAL 779 Ca 0.54 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 2o2p s VAL 779 Cb -0.44 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 2o2p s VAL 779 CO 0.55 0.10 2.15 -0.81 0.00 0.00 0.00 175.10 177.09 2o2p n PRO 780 N 4.17 2.44 -4.03 2.72 -0.04 -1.26 -4.67 135.00 134.32 2o2p n PRO 780 Ca 0.09 -2.33 -0.10 0.00 -0.04 0.00 0.00 63.50 61.12 2o2p n PRO 780 Cb 0.47 -3.15 -0.08 0.00 -0.04 0.00 0.00 33.50 30.70 2o2p n PRO 780 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2o2p s ARG 781 N 3.74 1.20 0.76 0.54 1.70 -1.26 -5.15 118.95 120.47 2o2p s ARG 781 Ca 0.51 -1.30 -0.15 0.00 -0.47 0.00 0.00 55.73 54.32 2o2p s ARG 781 Cb 0.14 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 2o2p s ARG 781 CO -0.02 -0.43 0.81 -2.30 -1.08 0.00 0.00 175.30 172.27 2o2p n PRO 782 N -0.23 0.31 0.00 3.89 -0.02 -1.26 -4.75 135.00 132.93 2o2p n PRO 782 Ca -0.05 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2o2p n PRO 782 Cb 0.63 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2o2p n PRO 782 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2o2p n GLY 783 N 1.23 -1.76 2.87 -1.23 0.00 -1.15 -4.57 105.19 100.59 2o2p n GLY 783 Ca 0.11 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 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 3.99 -3.40 1.61 3.72 -0.04 -4.90 117.46 118.44 2o2p n PHE 784 Ca 0.00 -4.02 -0.38 0.00 -0.05 0.00 0.00 57.45 53.00 2o2p n PHE 784 Cb 0.00 -0.50 -0.06 0.00 -0.94 0.00 0.00 39.48 37.98 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 -3.36 3.72 -0.03 1.38 0.08 -1.26 -0.26 117.98 118.25 2o2p s PHE 785 Ca 0.48 1.07 0.05 0.00 0.12 0.00 0.00 56.93 58.65 2o2p s PHE 785 Cb 0.27 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 40.31 2o2p s PHE 785 CO -0.12 0.56 -0.18 0.12 -0.10 0.00 0.00 175.22 175.49 2o2p s PHE 786 N -0.84 1.71 0.19 0.36 5.36 -1.26 -1.10 117.98 122.40 2o2p s PHE 786 Ca 0.26 -0.39 -0.31 0.00 -0.96 0.00 0.00 56.93 55.53 2o2p s PHE 786 Cb -0.17 -1.12 -0.10 0.00 -0.34 0.00 0.00 43.02 41.29 2o2p s PHE 786 CO 0.15 -0.08 1.47 -0.65 -1.46 0.00 0.00 175.22 174.64 2o2p s GLN 787 N -0.26 4.26 0.15 10.12 -0.21 -0.40 -4.84 119.66 128.49 2o2p s GLN 787 Ca 0.03 2.28 -0.34 0.00 0.02 0.00 0.00 55.36 57.34 2o2p s GLN 787 Cb -0.09 -3.15 -0.14 0.00 1.00 0.00 0.00 33.01 30.62 2o2p s GLN 787 CO 0.00 -0.48 1.51 -2.30 -2.12 0.00 0.00 175.29 171.90 2o2p n PRO 788 N 3.20 1.90 -4.85 2.91 -0.02 -1.26 -4.22 135.00 132.66 2o2p n PRO 788 Ca 0.10 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 62.01 2o2p n PRO 788 Cb 0.40 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.31 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 0.73 1.53 -0.09 3.45 2.01 -0.15 -3.89 115.64 119.24 2o2p s THR 789 Ca 0.79 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2o2p s THR 789 Cb -0.74 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 70.50 2o2p s THR 789 CO 0.41 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.92 2o2p s VAL 790 N -0.54 1.06 -0.08 3.82 1.01 -0.76 -0.38 120.40 124.53 2o2p s VAL 790 Ca 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2o2p s VAL 790 Cb -0.08 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 2o2p s VAL 790 CO -0.00 0.36 -0.07 -0.36 0.00 0.00 0.00 175.10 175.02 2o2p s PHE 791 N 1.25 2.93 0.50 5.22 0.08 0.63 -0.41 117.98 128.18 2o2p s PHE 791 Ca -0.04 -0.03 0.01 0.00 0.12 0.00 0.00 56.93 56.99 2o2p s PHE 791 Cb -0.14 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2o2p s PHE 791 CO -0.03 0.28 0.04 0.95 -0.10 0.00 0.00 175.22 176.35 2o2p s THR 792 N -0.68 0.92 -1.50 0.64 -4.23 0.07 -1.04 115.64 109.80 2o2p s THR 792 Ca 0.10 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 2o2p s THR 792 Cb -0.11 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.65 2o2p s THR 792 CO 0.02 0.00 0.61 0.47 -0.54 0.00 0.00 174.62 175.18 2o2p n ASP 793 N -1.34 -5.68 -4.70 3.99 10.43 -1.22 -1.07 116.55 116.96 2o2p n ASP 793 Ca -0.18 -0.32 -0.41 0.00 2.57 0.00 0.00 54.79 56.46 2o2p n ASP 793 Cb 0.66 -4.59 -0.04 0.00 1.84 0.00 0.00 41.12 38.99 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 -3.14 4.98 0.13 2.53 1.01 -1.15 -4.52 120.40 120.24 2o2p s VAL 794 Ca 0.34 1.59 0.05 0.00 0.00 0.00 0.00 61.98 63.95 2o2p s VAL 794 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 2o2p s VAL 794 CO 0.42 0.18 0.07 -1.61 0.00 0.00 0.00 175.10 174.16 2o2p s GLU 795 N 1.19 2.74 0.51 2.72 0.41 -1.26 -4.55 118.70 120.46 2o2p s GLU 795 Ca 0.40 -0.86 0.20 0.00 -0.41 0.00 0.00 54.97 54.30 2o2p s GLU 795 Cb -0.18 -2.60 1.30 0.00 -1.78 0.00 0.00 34.13 30.88 2o2p s GLU 795 CO 0.18 0.51 2.05 -0.44 -0.49 0.00 0.00 175.26 177.08 2o2p h ASP 796 N 2.90 0.05 1.36 -0.19 3.45 -1.96 -1.70 116.42 120.32 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 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 2o2p h ASP 796 CO 0.62 0.03 0.00 0.00 -1.57 0.00 0.00 179.24 178.32 2o2p n HIS 797 N -4.45 0.78 -2.12 4.55 1.44 -1.26 -4.74 115.22 109.41 2o2p n HIS 797 Ca 0.05 0.23 -0.37 0.00 -2.01 0.00 0.00 57.72 55.62 2o2p n HIS 797 Cb 0.38 -0.88 0.00 0.00 0.12 0.00 0.00 29.99 29.62 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 -3.10 3.60 0.21 -1.40 -1.94 -0.64 -4.94 119.30 111.10 2o2p s MET 798 Ca 0.11 1.91 -0.10 0.00 -1.71 0.00 0.00 55.69 55.90 2o2p s MET 798 Cb 0.13 -2.38 0.28 0.00 2.01 0.00 0.00 34.83 34.87 2o2p s MET 798 CO 0.57 -0.72 1.73 -0.92 -0.01 0.00 0.00 175.02 175.68 2o2p h TYR 799 N 1.92 0.35 0.00 -0.03 5.03 -1.91 -1.20 116.97 121.13 2o2p h TYR 799 Ca -0.50 0.03 0.00 0.00 2.58 0.00 0.00 58.73 60.84 2o2p h TYR 799 Cb 1.26 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 39.48 2o2p h TYR 799 CO 0.51 0.06 0.00 0.44 -1.32 0.00 0.00 178.16 177.86 2o2p n ILE 800 N -5.03 0.83 0.78 1.81 -5.35 -1.26 -0.70 119.36 110.42 2o2p n ILE 800 Ca 0.09 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.93 2o2p n ILE 800 Cb 0.29 -1.17 0.41 0.00 -1.74 0.00 0.00 39.64 37.44 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 -1.78 2.56 -0.02 -1.28 0.00 -0.47 -4.36 120.51 115.16 2o2p n ALA 801 Ca 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 53.44 53.31 2o2p n ALA 801 Cb 0.23 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.91 2.21 -3.60 0.00 5.02 -0.40 -4.99 118.16 114.48 2o2p n LYS 802 Ca 0.06 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.98 2o2p n LYS 802 Cb 0.39 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.10 3.87 -0.14 1.97 2.56 0.12 -4.91 118.70 120.07 2o2p s GLU 803 Ca -0.04 0.21 -0.29 0.00 0.00 0.00 0.00 54.97 54.85 2o2p s GLU 803 Cb 0.01 -3.26 -0.02 0.00 2.00 0.00 0.00 34.13 32.87 2o2p s GLU 803 CO 0.15 0.61 1.24 -2.00 -0.56 0.00 0.00 175.26 174.71 2o2p s GLU 804 N -0.72 4.26 0.02 4.30 2.12 -1.26 -4.83 118.70 122.60 2o2p s GLU 804 Ca 0.20 1.66 -0.09 0.00 0.36 0.00 0.00 54.97 57.10 2o2p s GLU 804 Cb -0.15 -3.71 -0.31 0.00 0.26 0.00 0.00 34.13 30.22 2o2p s GLU 804 CO 0.09 -0.64 0.95 0.66 -0.54 0.00 0.00 175.26 175.79 2o2p h SER 805 N 7.99 0.59 -2.81 -1.70 4.64 -1.95 -3.48 113.55 116.84 2o2p h SER 805 Ca -0.28 -0.70 -0.41 0.00 -0.47 0.00 0.00 61.79 59.92 2o2p h SER 805 Cb 1.12 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 2o2p h SER 805 CO 0.95 1.56 -0.52 0.33 -0.87 0.00 0.00 176.83 178.28 2o2p n PHE 806 N -3.58 -0.92 -4.30 4.77 7.35 -1.26 -4.90 117.46 114.62 2o2p n PHE 806 Ca -0.16 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.35 2o2p n PHE 806 Cb 1.07 -3.89 -0.09 0.00 0.35 0.00 0.00 39.48 36.92 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 -2.12 2.13 -1.47 7.13 0.00 -1.21 -3.84 107.32 107.94 2o2p s GLY 807 Ca 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 44.72 42.75 2o2p s GLY 807 CO 0.00 -1.52 2.39 -1.55 0.00 0.00 0.00 173.10 172.42 2o2p n PRO 808 N -0.57 3.35 -3.84 2.90 -0.04 -1.21 -4.49 135.00 131.10 2o2p n PRO 808 Ca 0.04 -2.70 -0.30 0.00 -0.04 0.00 0.00 63.50 60.50 2o2p n PRO 808 Cb 0.64 -3.04 -0.16 0.00 -0.04 0.00 0.00 33.50 30.90 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 2.11 1.16 -0.17 0.52 1.01 -1.26 -0.98 121.20 123.60 2o2p s ILE 809 Ca 0.53 -1.18 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 2o2p s ILE 809 Cb 0.15 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2o2p s ILE 809 CO -0.07 -0.31 0.71 -0.32 0.00 0.00 0.00 174.94 174.95 2o2p s MET 810 N 1.53 4.28 -0.35 2.79 -2.45 0.49 -4.95 119.30 120.63 2o2p s MET 810 Ca 0.01 0.80 0.03 0.00 -1.25 0.00 0.00 55.69 55.28 2o2p s MET 810 Cb -0.18 -3.56 0.10 0.00 1.25 0.00 0.00 34.83 32.45 2o2p s MET 810 CO -0.12 -0.23 0.08 0.42 1.05 0.00 0.00 175.02 176.22 2o2p s ILE 811 N 1.83 2.08 -0.19 10.11 1.01 -1.26 -0.27 121.20 134.52 2o2p s ILE 811 Ca 0.33 -2.29 -0.07 0.00 0.00 0.00 0.00 60.65 58.63 2o2p s ILE 811 Cb -0.16 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.73 2o2p s ILE 811 CO 0.12 -0.63 0.04 -0.63 0.00 0.00 0.00 174.94 173.84 2o2p s ILE 812 N 0.91 4.55 0.15 2.92 1.01 -0.21 -0.64 121.20 129.89 2o2p s ILE 812 Ca 0.11 -0.12 0.11 0.00 0.00 0.00 0.00 60.65 60.75 2o2p s ILE 812 Cb -0.19 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2o2p s ILE 812 CO -0.10 0.45 -0.23 -0.44 0.00 0.00 0.00 174.94 174.62 2o2p s SER 813 N 0.53 3.53 0.35 3.58 0.01 0.60 -2.92 113.70 119.37 2o2p s SER 813 Ca 0.02 -0.74 -0.06 0.00 1.31 0.00 0.00 55.95 56.47 2o2p s SER 813 Cb -0.13 -0.32 -0.05 0.00 0.21 0.00 0.00 66.02 65.72 2o2p s SER 813 CO 0.01 0.15 0.64 -0.13 0.41 0.00 0.00 173.24 174.32 2o2p s ARG 814 N -2.34 3.65 0.06 12.44 0.52 -1.26 -0.59 118.95 131.43 2o2p s ARG 814 Ca 0.18 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 2o2p s ARG 814 Cb -0.09 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 2o2p s ARG 814 CO 0.09 0.10 -0.07 -0.59 0.02 0.00 0.00 175.30 174.84 2o2p s PHE 815 N -2.25 0.72 0.39 -0.53 -0.71 -1.00 -4.79 117.98 109.81 2o2p s PHE 815 Ca 0.46 -0.61 -0.26 0.00 -1.04 0.00 0.00 56.93 55.47 2o2p s PHE 815 Cb -0.10 -0.43 -0.09 0.00 -1.21 0.00 0.00 43.02 41.19 2o2p s PHE 815 CO 0.32 -0.11 1.25 0.00 -1.34 0.00 0.00 175.22 175.35 2o2p s ALA 816 N -1.99 3.27 0.14 1.99 0.00 -1.26 -0.56 121.76 123.35 2o2p s ALA 816 Ca -0.04 1.14 -0.35 0.00 0.00 0.00 0.00 51.96 52.71 2o2p s ALA 816 Cb -0.06 -3.45 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 2o2p s ALA 816 CO -0.01 -0.68 1.40 -0.25 0.00 0.00 0.00 175.76 176.22 2o2p n ASP 817 N 0.25 2.16 0.00 0.00 8.00 -1.26 -1.65 116.55 124.05 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 0.44 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 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 2.70 2.74 3.76 0.44 0.00 -1.26 -5.01 105.19 108.56 2o2p n GLY 818 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.43 6.90 0.09 1.61 -0.00 -0.66 -4.90 116.67 117.27 2o2p s ASP 819 Ca 0.00 2.55 0.00 0.00 -0.00 0.00 0.00 52.55 55.10 2o2p s ASP 819 Cb 0.00 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 2o2p s ASP 819 CO 0.00 -0.45 0.00 0.52 -0.00 0.00 0.00 175.17 175.24 2o2p n VAL 820 N 1.22 0.28 0.04 -1.27 0.31 -1.26 -4.79 118.33 112.86 2o2p n VAL 820 Ca 0.01 0.09 0.01 0.00 -0.01 0.00 0.00 64.34 64.44 2o2p n VAL 820 Cb 0.43 -1.02 0.33 0.00 -0.91 0.00 0.00 33.84 32.67 2o2p n VAL 820 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2o2p h ASP 821 N 0.00 0.40 -0.16 4.52 3.32 -1.99 -1.54 116.42 120.96 2o2p h ASP 821 Ca 0.00 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2o2p h ASP 821 Cb 0.27 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2o2p h ASP 821 CO 0.00 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 178.02 2o2p h ALA 822 N 1.55 0.22 -0.35 3.45 0.00 -1.97 -1.17 119.26 120.98 2o2p h ALA 822 Ca 0.09 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2o2p h ALA 822 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2o2p h ALA 822 CO 0.01 -0.08 -0.27 -0.24 0.00 0.00 0.00 179.25 178.67 2o2p h VAL 823 N 0.03 1.28 -0.59 0.00 3.04 -1.84 -2.80 116.25 115.38 2o2p h VAL 823 Ca 0.05 -1.40 0.06 0.00 -1.01 0.00 0.00 66.70 64.40 2o2p h VAL 823 Cb 0.38 1.30 -0.05 0.00 -2.01 0.00 0.00 31.29 30.90 2o2p h VAL 823 CO 0.01 0.46 0.29 -0.07 -1.01 0.00 0.00 177.57 177.25 2o2p h LEU 824 N 0.63 0.41 -0.62 3.16 3.38 -1.13 0.83 115.31 121.97 2o2p h LEU 824 Ca 0.08 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2o2p h LEU 824 Cb 0.79 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 2o2p h LEU 824 CO 0.06 0.27 0.32 0.28 0.09 0.00 0.00 178.44 179.46 2o2p h SER 825 N 0.55 0.44 -0.46 -0.43 0.02 -1.00 0.18 113.55 112.85 2o2p h SER 825 Ca 0.27 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 2o2p h SER 825 Cb 0.20 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2o2p h SER 825 CO -0.19 0.28 -0.08 0.03 -1.14 0.00 0.00 176.83 175.73 2o2p h ARG 826 N 0.58 0.88 -0.51 3.45 3.08 -1.16 -2.17 114.38 118.53 2o2p h ARG 826 Ca 0.29 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2o2p h ARG 826 Cb 0.22 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2o2p h ARG 826 CO -0.20 0.96 0.18 0.00 -1.07 0.00 0.00 179.97 179.84 2o2p h ALA 827 N 0.89 1.37 -0.01 0.04 0.00 -0.47 -2.84 119.26 118.24 2o2p h ALA 827 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2o2p h ALA 827 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2o2p h ALA 827 CO 0.04 0.47 -0.11 0.09 0.00 0.00 0.00 179.25 179.74 2o2p n ASN 828 N -4.33 0.78 0.00 0.00 3.02 0.02 -4.40 115.26 110.35 2o2p n ASN 828 Ca 0.04 -0.90 0.04 0.00 -0.03 0.00 0.00 54.58 53.73 2o2p n ASN 828 Cb 0.17 -0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.63 1.47 -2.15 5.41 0.00 -0.84 -4.79 120.51 118.98 2o2p n ALA 829 Ca 0.16 -0.03 -0.31 0.00 0.00 0.00 0.00 53.44 53.26 2o2p n ALA 829 Cb 0.29 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.87 4.75 -1.41 0.00 -1.32 -1.26 -4.96 115.64 108.57 2o2p s THR 830 Ca 0.06 0.71 0.29 0.00 -1.21 0.00 0.00 61.69 61.54 2o2p s THR 830 Cb 0.06 -3.71 0.42 0.00 -1.51 0.00 0.00 72.50 67.75 2o2p s THR 830 CO 0.16 -0.48 1.92 -0.62 -2.21 0.00 0.00 174.62 173.38 2o2p n GLU 831 N -1.18 0.42 -2.02 7.08 -0.58 -1.26 -4.84 120.64 118.27 2o2p n GLU 831 Ca 0.03 -0.09 -0.29 0.00 -0.42 0.00 0.00 57.16 56.40 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 -2.63 3.16 -0.33 -0.32 0.08 -1.26 -0.34 117.98 116.33 2o2p s PHE 832 Ca 0.25 0.82 0.05 0.00 0.12 0.00 0.00 56.93 58.17 2o2p s PHE 832 Cb 0.20 -3.15 0.21 0.00 -0.57 0.00 0.00 43.02 39.71 2o2p s PHE 832 CO 0.49 -1.31 1.18 0.41 -0.10 0.00 0.00 175.22 175.89 2o2p n GLY 833 N -3.01 0.24 0.08 4.36 0.00 -1.21 -4.79 105.19 100.86 2o2p n GLY 833 Ca 0.07 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.41 0.00 -8.75 0.99 5.85 -1.81 -0.04 115.31 112.97 2o2p h LEU 834 Ca -0.42 -0.22 -0.38 0.00 0.84 0.00 0.00 57.88 57.70 2o2p h LEU 834 Cb 1.25 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 2o2p h LEU 834 CO -0.14 0.99 -0.42 0.00 -0.34 0.00 0.00 178.44 178.52 2o2p s ALA 835 N -2.57 1.44 -0.01 1.25 0.00 -1.26 -2.19 121.76 118.42 2o2p s ALA 835 Ca -0.18 -1.85 -0.30 0.00 0.00 0.00 0.00 51.96 49.63 2o2p s ALA 835 Cb 0.03 1.37 0.11 0.00 0.00 0.00 0.00 23.12 24.63 2o2p s ALA 835 CO 0.34 -0.69 1.17 -1.54 0.00 0.00 0.00 175.76 175.04 2o2p s SER 836 N -3.30 -0.12 0.10 0.00 1.04 -0.52 -3.98 113.70 106.92 2o2p s SER 836 Ca 0.37 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 56.43 2o2p s SER 836 Cb 0.02 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.45 2o2p s SER 836 CO 0.23 -0.45 0.53 -0.83 0.98 0.00 0.00 173.24 173.70 2o2p s GLY 837 N -2.79 -0.47 -0.06 7.32 0.00 0.17 -0.99 107.32 110.50 2o2p s GLY 837 Ca 0.12 0.45 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 2o2p s GLY 837 CO -0.03 0.14 0.14 0.54 0.00 0.00 0.00 173.10 173.89 2o2p s VAL 838 N -3.18 -0.03 -0.23 1.40 0.11 -0.05 -0.59 120.40 117.83 2o2p s VAL 838 Ca -0.01 0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2o2p s VAL 838 Cb -0.00 -0.22 -0.00 0.00 -1.53 0.00 0.00 36.38 34.62 2o2p s VAL 838 CO -0.08 0.05 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.35 2o2p s PHE 839 N 0.81 2.98 -0.18 1.54 0.08 -0.21 -0.91 117.98 122.09 2o2p s PHE 839 Ca -0.06 -0.99 -0.28 0.00 0.12 0.00 0.00 56.93 55.71 2o2p s PHE 839 Cb -0.08 -2.11 0.11 0.00 -0.57 0.00 0.00 43.02 40.36 2o2p s PHE 839 CO -0.04 -0.56 0.90 -0.08 -0.10 0.00 0.00 175.22 175.33 2o2p s THR 840 N 1.47 0.00 -1.32 0.64 -1.32 -1.26 -1.59 115.64 112.26 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 0.26 0.00 -1.51 0.00 0.00 72.50 70.10 2o2p s THR 840 CO -0.03 0.00 1.72 0.54 -2.21 0.00 0.00 174.62 174.64 2o2p n ARG 841 N 1.39 0.34 -2.86 7.08 1.74 -1.13 -4.84 116.66 118.39 2o2p n ARG 841 Ca -0.13 -0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.39 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 -2.75 6.55 0.26 0.55 3.68 -1.26 -4.93 116.67 118.76 2o2p s ASP 842 Ca 0.20 0.26 -0.03 0.00 2.13 0.00 0.00 52.55 55.11 2o2p s ASP 842 Cb 0.19 -2.44 0.41 0.00 -1.45 0.00 0.00 42.92 39.63 2o2p s ASP 842 CO 0.56 -0.93 1.84 -0.29 0.13 0.00 0.00 175.17 176.48 2o2p h ILE 843 N 5.94 0.99 -0.48 4.11 2.10 -2.00 -1.05 117.51 127.12 2o2p h ILE 843 Ca -0.24 -0.33 -0.08 0.00 1.08 0.00 0.00 64.86 65.29 2o2p h ILE 843 Cb 1.08 -0.06 -0.02 0.00 -1.09 0.00 0.00 36.82 36.73 2o2p h ILE 843 CO 0.99 0.18 -0.01 0.78 -1.08 0.00 0.00 178.15 179.00 2o2p h ASN 844 N 0.97 0.84 -0.30 2.19 2.35 -2.00 -1.52 115.58 118.11 2o2p h ASN 844 Ca 0.42 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2o2p h ASN 844 Cb 0.29 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2o2p h ASN 844 CO -0.21 0.95 0.11 0.11 -1.65 0.00 0.00 177.43 176.74 2o2p h LYS 845 N 0.71 0.46 -0.25 0.81 1.57 -1.90 -2.00 116.57 115.97 2o2p h LYS 845 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2o2p h LYS 845 Cb 0.53 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 2o2p h LYS 845 CO 0.03 0.49 0.08 0.00 -0.57 0.00 0.00 179.45 179.48 2o2p h ALA 846 N 0.95 0.28 -0.37 3.86 0.00 -1.03 0.46 119.26 123.41 2o2p h ALA 846 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2o2p h ALA 846 Cb 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2o2p h ALA 846 CO -0.01 -0.33 -0.26 -0.07 0.00 0.00 0.00 179.25 178.58 2o2p h LEU 847 N 0.20 0.87 -0.01 0.00 3.38 -1.25 -1.32 115.31 117.18 2o2p h LEU 847 Ca 0.11 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 2o2p h LEU 847 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2o2p h LEU 847 CO -0.12 1.12 0.00 0.22 0.09 0.00 0.00 178.44 179.75 2o2p h TYR 848 N 0.63 0.01 -0.68 1.13 3.20 -1.23 -1.94 116.97 118.09 2o2p h TYR 848 Ca 0.07 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.99 2o2p h TYR 848 Cb 0.83 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.05 2o2p h TYR 848 CO 0.06 0.13 0.40 0.28 -1.64 0.00 0.00 178.16 177.39 2o2p h VAL 849 N -0.12 1.02 -0.41 1.81 2.07 -0.89 -1.78 116.25 117.96 2o2p h VAL 849 Ca 0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2o2p h VAL 849 Cb 0.12 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2o2p h VAL 849 CO -0.00 0.14 0.06 0.77 0.02 0.00 0.00 177.57 178.55 2o2p h SER 850 N 0.75 0.59 -0.55 0.57 4.64 -1.09 -0.95 113.55 117.51 2o2p h SER 850 Ca 0.29 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2o2p h SER 850 Cb 0.12 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2o2p h SER 850 CO -0.15 0.62 0.32 0.44 -0.87 0.00 0.00 176.83 177.19 2o2p h ASP 851 N 0.61 0.67 1.24 4.97 3.32 -0.78 -3.30 116.42 123.15 2o2p h ASP 851 Ca 0.13 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2o2p h ASP 851 Cb 0.30 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2o2p h ASP 851 CO 0.00 0.55 -0.65 0.11 -1.72 0.00 0.00 179.24 177.53 2o2p h LYS 852 N 0.73 0.00 -6.46 3.56 1.79 -0.66 -3.45 116.57 112.08 2o2p h LYS 852 Ca 0.19 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.13 2o2p h LYS 852 Cb 0.01 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2o2p h LYS 852 CO -0.03 0.00 0.76 -0.51 -1.08 0.00 0.00 179.45 178.59 2o2p s LEU 853 N -5.35 4.35 -1.26 2.94 1.43 -0.42 -4.93 118.68 115.43 2o2p s LEU 853 Ca 0.03 2.20 -0.07 0.00 -1.03 0.00 0.00 54.13 55.25 2o2p s LEU 853 Cb 0.09 -3.57 0.18 0.00 0.03 0.00 0.00 46.19 42.91 2o2p s LEU 853 CO 0.74 -0.67 1.98 0.00 0.23 0.00 0.00 176.35 178.63 2o2p n GLN 854 N 4.64 4.07 -3.84 1.70 1.13 -1.26 -4.92 117.38 118.90 2o2p n GLN 854 Ca 0.12 -3.67 -0.12 0.00 -1.94 0.00 0.00 57.00 51.39 2o2p n GLN 854 Cb 0.43 -2.77 -0.10 0.00 0.11 0.00 0.00 30.24 27.91 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 -0.61 -0.45 0.44 -1.58 0.00 -1.26 -4.51 121.76 113.78 2o2p s ALA 855 Ca 0.43 0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.62 2o2p s ALA 855 Cb 0.12 0.08 1.26 0.00 0.00 0.00 0.00 23.12 24.58 2o2p s ALA 855 CO -0.02 -0.22 2.04 0.78 0.00 0.00 0.00 175.76 178.35 2o2p h GLY 856 N 4.26 0.00 -5.58 0.00 0.00 -1.01 -3.41 103.07 97.33 2o2p h GLY 856 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.66 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 -4.40 0.55 -0.14 4.70 2.01 -0.93 -4.76 115.64 112.67 2o2p s THR 857 Ca -0.03 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 61.73 2o2p s THR 857 Cb 0.14 -0.49 0.02 0.00 0.01 0.00 0.00 72.50 72.18 2o2p s THR 857 CO 0.63 0.18 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.89 2o2p s VAL 858 N 0.16 1.64 -0.08 3.82 1.01 -1.26 -1.44 120.40 124.26 2o2p s VAL 858 Ca -0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2o2p s VAL 858 Cb -0.06 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 2o2p s VAL 858 CO -0.00 0.47 0.33 -0.36 0.00 0.00 0.00 175.10 175.54 2o2p s PHE 859 N 1.31 3.61 -0.22 5.22 0.08 -0.16 -4.97 117.98 122.86 2o2p s PHE 859 Ca 0.02 0.79 0.02 0.00 0.12 0.00 0.00 56.93 57.87 2o2p s PHE 859 Cb -0.13 -2.26 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2o2p s PHE 859 CO -0.08 0.52 -0.16 0.42 -0.10 0.00 0.00 175.22 175.82 2o2p s ILE 860 N -0.52 2.12 -1.63 0.64 1.01 -1.26 -0.87 121.20 120.69 2o2p s ILE 860 Ca 0.20 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2o2p s ILE 860 Cb -0.15 -2.06 0.00 0.00 0.01 0.00 0.00 42.46 40.26 2o2p s ILE 860 CO 0.09 0.27 0.00 0.59 0.00 0.00 0.00 174.94 175.89 2o2p n ASN 861 N 4.53 -5.34 -2.93 3.58 3.02 -0.08 -4.94 115.26 113.10 2o2p n ASN 861 Ca -0.18 0.08 -0.09 0.00 -0.03 0.00 0.00 54.58 54.37 2o2p n ASN 861 Cb 0.46 -4.49 0.02 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.89 0.00 0.03 3.41 -1.32 -1.26 -5.07 115.64 108.54 2o2p s THR 862 Ca 0.00 -1.03 -0.24 0.00 -1.21 0.00 0.00 61.69 59.21 2o2p s THR 862 Cb 0.00 -2.87 0.06 0.00 -1.51 0.00 0.00 72.50 68.17 2o2p s THR 862 CO 0.00 0.00 0.55 -0.47 -2.21 0.00 0.00 174.62 172.49 2o2p s TYR 863 N -2.34 -0.46 -1.63 9.09 5.04 -1.26 -4.75 117.35 121.03 2o2p s TYR 863 Ca 0.16 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.37 2o2p s TYR 863 Cb -0.05 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.62 2o2p s TYR 863 CO 0.12 -0.64 0.00 0.09 -1.34 0.00 0.00 175.55 173.78 2o2p n ASN 864 N 0.49 -4.86 -4.11 4.32 3.02 -1.26 -4.91 115.26 107.96 2o2p n ASN 864 Ca -0.18 0.36 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 2o2p n ASN 864 Cb 0.60 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 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 -2.54 3.67 -2.32 3.52 3.00 -1.26 -4.97 118.16 117.25 2o2p n LYS 865 Ca -0.16 -3.85 -0.29 0.00 -0.00 0.00 0.00 58.31 54.01 2o2p n LYS 865 Cb 0.52 -2.87 0.01 0.00 0.00 0.00 0.00 35.03 32.69 2o2p n LYS 865 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2o2p s THR 866 N 0.14 4.68 -0.14 3.15 -4.23 -1.26 -5.10 115.64 112.88 2o2p s THR 866 Ca 0.39 0.43 -0.16 0.00 -1.18 0.00 0.00 61.69 61.17 2o2p s THR 866 Cb 0.03 -3.82 0.04 0.00 1.34 0.00 0.00 72.50 70.10 2o2p s THR 866 CO 0.01 -0.92 0.43 -0.62 -0.54 0.00 0.00 174.62 172.99 2o2p s ASP 867 N -4.16 -0.43 0.65 3.99 -1.08 -1.26 -5.04 116.67 109.34 2o2p s ASP 867 Ca 0.51 0.75 0.39 0.00 -0.52 0.00 0.00 52.55 53.69 2o2p s ASP 867 Cb -0.11 0.79 2.19 0.00 -1.46 0.00 0.00 42.92 44.33 2o2p s ASP 867 CO 0.48 -0.22 2.28 -0.37 0.52 0.00 0.00 175.17 177.86 2o2p h VAL 868 N 4.27 0.12 -0.00 1.11 -1.51 -1.94 0.24 116.25 118.54 2o2p h VAL 868 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 2o2p h VAL 868 Cb 1.18 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2o2p h VAL 868 CO 0.26 0.00 -0.36 0.00 -1.23 0.00 0.00 177.57 176.25 2o2p n ALA 869 N -2.12 3.26 -3.10 5.19 0.00 -1.26 -0.81 120.51 121.68 2o2p n ALA 869 Ca -0.03 -0.35 -0.37 0.00 0.00 0.00 0.00 53.44 52.69 2o2p n ALA 869 Cb 0.13 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.77 3.12 0.54 0.00 0.00 0.07 -3.97 121.76 118.75 2o2p s ALA 870 Ca 0.17 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.65 2o2p s ALA 870 Cb 0.18 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 2o2p s ALA 870 CO 0.61 -0.68 1.27 -1.25 0.00 0.00 0.00 175.76 175.71 2o2p s PRO 871 N 1.57 3.24 -0.15 0.00 0.04 -1.26 -4.40 135.00 134.05 2o2p s PRO 871 Ca 0.05 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 2o2p s PRO 871 Cb -0.16 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.22 2o2p s PRO 871 CO 0.03 -1.04 0.02 0.12 0.04 0.00 0.00 177.00 176.18 2o2p s PHE 872 N -1.43 0.87 -0.11 0.56 5.36 0.84 -4.97 117.98 119.09 2o2p s PHE 872 Ca 0.71 -0.59 -0.33 0.00 -0.96 0.00 0.00 56.93 55.77 2o2p s PHE 872 Cb -0.35 -0.93 0.13 0.00 -0.34 0.00 0.00 43.02 41.53 2o2p s PHE 872 CO 0.41 -0.51 1.24 0.20 -1.46 0.00 0.00 175.22 175.10 2o2p s GLY 873 N 1.91 -0.34 0.41 13.12 0.00 -1.26 -0.95 107.32 120.21 2o2p s GLY 873 Ca 0.01 1.21 0.08 0.00 0.00 0.00 0.00 44.72 46.03 2o2p s GLY 873 CO -0.07 0.36 0.54 -0.32 0.00 0.00 0.00 173.10 173.60 2o2p s GLY 874 N -2.52 1.95 0.42 0.20 0.00 -1.26 -4.14 107.32 101.97 2o2p s GLY 874 Ca 0.11 -1.69 0.07 0.00 0.00 0.00 0.00 44.72 43.22 2o2p s GLY 874 CO -0.04 -1.51 0.17 -1.36 0.00 0.00 0.00 173.10 170.36 2o2p s PHE 875 N -2.35 2.56 0.00 1.90 0.08 -0.13 -4.10 117.98 115.93 2o2p s PHE 875 Ca 0.53 -0.61 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2o2p s PHE 875 Cb -0.09 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 2o2p s PHE 875 CO 0.32 0.19 0.00 1.63 -0.10 0.00 0.00 175.22 177.26 2o2p n LYS 876 N -1.23 0.00 -0.01 0.44 5.02 -1.26 -1.57 118.16 119.54 2o2p n LYS 876 Ca -0.02 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.36 2o2p n LYS 876 Cb 0.65 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 36.14 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 1.09 0.01 1.97 6.02 0.54 -2.28 117.38 138.73 2o2p n GLN 877 Ca 0.00 -0.13 0.12 0.00 -0.01 0.00 0.00 57.00 56.98 2o2p n GLN 877 Cb 0.00 -1.28 0.51 0.00 1.02 0.00 0.00 30.24 30.49 2o2p n GLN 877 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2o2p n SER 878 N -0.63 0.08 0.00 1.08 7.64 -0.61 -4.68 113.62 116.50 2o2p n SER 878 Ca 0.13 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2o2p n SER 878 Cb 0.09 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 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 0.98 0.11 3.56 0.23 0.00 -0.96 -0.43 105.19 108.67 2o2p n GLY 879 Ca 0.06 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 2o2p n GLY 879 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2o2p s PHE 880 N 0.00 -0.40 0.00 1.61 -0.12 -0.42 -4.08 117.98 114.56 2o2p s PHE 880 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.02 2o2p s PHE 880 Cb 0.00 0.60 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 2o2p s PHE 880 CO 0.00 -0.89 0.00 0.41 -0.05 0.00 0.00 175.22 174.69 2o2p n GLY 881 N -0.39 0.03 3.56 1.99 0.00 -1.26 -1.90 105.19 107.22 2o2p n GLY 881 Ca -0.12 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.91 2.44 0.13 1.61 -0.14 -1.26 -4.35 119.74 114.26 2o2p s LYS 882 Ca 0.00 -0.78 0.04 0.00 -1.36 0.00 0.00 55.97 53.87 2o2p s LYS 882 Cb 0.00 -2.43 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 2o2p s LYS 882 CO 0.00 0.59 0.15 -0.51 -0.76 0.00 0.00 175.35 174.82 2o2p s ASP 883 N -1.37 5.74 0.26 2.83 1.01 -0.13 -4.25 116.67 120.76 2o2p s ASP 883 Ca 0.16 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2o2p s ASP 883 Cb -0.11 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.24 2o2p s ASP 883 CO 0.07 0.10 0.00 0.18 0.21 0.00 0.00 175.17 175.73 2o2p n LEU 884 N -0.12 -0.46 -0.78 1.23 4.77 -1.26 -0.11 117.00 120.27 2o2p n LEU 884 Ca -0.08 1.04 0.10 0.00 -0.03 0.00 0.00 56.01 57.05 2o2p n LEU 884 Cb 0.53 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 2o2p n LEU 884 CO 0.45 -0.87 -0.20 0.61 -1.33 0.00 0.00 177.39 176.05 2o2p n GLY 885 N -2.93 -2.03 0.36 -0.72 0.00 0.01 -2.97 105.19 96.92 2o2p n GLY 885 Ca -0.04 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.74 0.95 -0.69 1.61 4.81 -1.88 -2.53 114.58 116.11 2o2p h GLU 886 Ca -0.02 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.28 2o2p h GLU 886 Cb 0.72 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 2o2p h GLU 886 CO 0.02 0.63 0.46 0.00 -0.73 0.00 0.00 179.01 179.38 2o2p h ALA 887 N 1.55 2.05 -0.51 2.92 0.00 -1.94 -1.62 119.26 121.71 2o2p h ALA 887 Ca 0.51 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.47 2o2p h ALA 887 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2o2p h ALA 887 CO -0.28 -0.22 0.34 0.00 0.00 0.00 0.00 179.25 179.09 2o2p h ALA 888 N 1.66 1.88 -0.44 0.00 0.00 -1.34 -2.42 119.26 118.60 2o2p h ALA 888 Ca 0.33 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.26 2o2p h ALA 888 Cb 0.69 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2o2p h ALA 888 CO -0.10 0.04 0.30 -0.07 0.00 0.00 0.00 179.25 179.42 2o2p h LEU 889 N 0.47 0.39 -1.70 0.00 3.38 -1.44 -2.74 115.31 113.67 2o2p h LEU 889 Ca 0.22 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 2o2p h LEU 889 Cb 0.27 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2o2p h LEU 889 CO -0.06 0.27 -0.18 0.78 0.09 0.00 0.00 178.44 179.34 2o2p h ASN 890 N 0.46 0.00 0.72 -0.43 2.35 -1.57 -0.43 115.58 116.67 2o2p h ASN 890 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2o2p h ASN 890 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 2o2p h ASN 890 CO -0.05 0.18 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.56 2o2p h GLU 891 N 0.00 0.00 -0.15 0.81 4.39 -1.63 -3.18 114.58 114.82 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 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2o2p h GLU 891 CO 0.02 0.03 0.00 0.66 -1.16 0.00 0.00 179.01 178.56 2o2p n TYR 892 N -3.16 0.19 -4.37 4.33 4.01 -0.21 -5.00 117.16 112.95 2o2p n TYR 892 Ca -0.00 -0.48 -0.23 0.00 -0.16 0.00 0.00 57.90 57.03 2o2p n TYR 892 Cb 0.25 -0.04 -0.11 0.00 -0.31 0.00 0.00 39.34 39.13 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 -0.97 2.46 0.21 7.72 1.43 -0.95 -3.03 118.68 125.55 2o2p s LEU 893 Ca 0.10 -0.89 0.11 0.00 -1.03 0.00 0.00 54.13 52.41 2o2p s LEU 893 Cb 0.05 -0.92 -0.05 0.00 0.03 0.00 0.00 46.19 45.31 2o2p s LEU 893 CO 0.07 -0.00 -0.21 0.00 0.23 0.00 0.00 176.35 176.44 2o2p s ARG 894 N -2.91 1.48 -0.20 1.70 1.70 0.58 -4.80 118.95 116.50 2o2p s ARG 894 Ca 0.19 -1.57 -0.02 0.00 -0.47 0.00 0.00 55.73 53.86 2o2p s ARG 894 Cb -0.06 -1.64 -0.00 0.00 -0.57 0.00 0.00 34.95 32.68 2o2p s ARG 894 CO 0.08 0.33 -0.09 0.42 -1.08 0.00 0.00 175.30 174.97 2o2p s ILE 895 N -2.09 3.08 -0.23 4.99 1.01 -1.26 -1.14 121.20 125.56 2o2p s ILE 895 Ca 0.22 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2o2p s ILE 895 Cb -0.06 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2o2p s ILE 895 CO 0.10 0.46 0.11 -0.75 0.00 0.00 0.00 174.94 174.87 2o2p s LYS 896 N 1.24 3.94 -0.16 2.79 2.20 -0.51 -4.95 119.74 124.30 2o2p s LYS 896 Ca 0.03 -0.34 -0.16 0.00 -0.36 0.00 0.00 55.97 55.13 2o2p s LYS 896 Cb -0.14 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 2o2p s LYS 896 CO -0.04 0.05 0.41 0.99 -0.36 0.00 0.00 175.35 176.41 2o2p s THR 897 N 1.03 5.22 -0.17 3.43 2.01 -1.26 -0.56 115.64 125.35 2o2p s THR 897 Ca 0.06 0.79 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2o2p s THR 897 Cb -0.14 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.64 2o2p s THR 897 CO 0.04 0.31 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.40 2o2p s VAL 898 N 0.81 2.23 -0.14 3.82 1.01 0.60 -4.99 120.40 123.74 2o2p s VAL 898 Ca 0.22 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.30 2o2p s VAL 898 Cb -0.14 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.33 2o2p s VAL 898 CO 0.08 0.53 -0.13 -0.89 0.00 0.00 0.00 175.10 174.69 2o2p s THR 899 N 1.07 1.45 0.02 3.92 2.01 -1.26 -0.92 115.64 121.92 2o2p s THR 899 Ca -0.01 -0.56 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 2o2p s THR 899 Cb -0.14 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 2o2p s THR 899 CO -0.07 0.44 0.12 -0.36 -0.69 0.00 0.00 174.62 174.06 2o2p s PHE 900 N 1.51 3.36 -0.04 4.92 0.40 0.61 -4.98 117.98 123.76 2o2p s PHE 900 Ca 0.04 0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 2o2p s PHE 900 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2o2p s PHE 900 CO -0.10 0.57 -0.20 -2.00 0.70 0.00 0.00 175.22 174.20 2o2p s GLU 901 N -1.97 2.42 0.00 0.44 2.12 -1.26 -1.98 118.70 118.47 2o2p s GLU 901 Ca 0.26 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.79 2o2p s GLU 901 Cb -0.12 -2.25 0.00 0.00 0.26 0.00 0.00 34.13 32.02 2o2p s GLU 901 CO 0.18 0.55 0.00 2.48 -0.54 0.00 0.00 175.26 177.93