#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wkr n THR 406 N 0.00 0.00 -3.37 0.00 5.66 -1.26 -4.95 114.28 110.36 2wkr n THR 406 Ca 0.00 -0.44 -0.19 0.00 -3.05 0.00 0.00 64.05 60.37 2wkr n THR 406 Cb 0.00 -1.73 -0.00 0.00 -1.55 0.00 0.00 70.33 67.05 2wkr n THR 406 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2wkr s THR 407 N -2.10 3.98 0.26 1.09 -4.23 -1.26 -4.40 115.64 108.99 2wkr s THR 407 Ca 0.31 -0.93 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 2wkr s THR 407 Cb -0.01 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.50 2wkr s THR 407 CO 0.22 -0.17 1.70 -0.07 -0.54 0.00 0.00 174.62 175.76 2wkr h LEU 408 N 0.81 0.57 -0.38 4.79 3.38 -1.97 -2.66 115.31 119.85 2wkr h LEU 408 Ca -0.45 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2wkr h LEU 408 Cb 1.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2wkr h LEU 408 CO 0.53 0.80 0.00 -1.84 0.09 0.00 0.00 178.44 178.02 2wkr n GLU 409 N -4.12 0.18 -0.01 1.13 0.00 -1.26 -1.99 120.64 114.56 2wkr n GLU 409 Ca -0.00 0.32 0.13 0.00 0.00 0.00 0.00 57.16 57.61 2wkr n GLU 409 Cb 0.41 -1.78 0.54 0.00 0.00 0.00 0.00 31.44 30.60 2wkr n GLU 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wkr n ARG 410 N -2.11 1.61 -3.18 3.44 1.74 -1.00 -4.69 116.66 112.47 2wkr n ARG 410 Ca 0.04 -0.89 -0.45 0.00 -0.77 0.00 0.00 57.85 55.78 2wkr n ARG 410 Cb 0.28 -1.46 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 2wkr n ARG 410 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wkr s ILE 411 N -1.96 4.98 -1.37 0.55 1.01 -0.84 -4.97 121.20 118.59 2wkr s ILE 411 Ca 0.38 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.71 2wkr s ILE 411 Cb 0.20 -4.44 0.10 0.00 0.01 0.00 0.00 42.46 38.33 2wkr s ILE 411 CO 0.32 -1.04 2.18 -0.62 0.00 0.00 0.00 174.94 175.78 2wkr n GLU 412 N 5.90 3.63 -4.22 2.79 1.02 -1.26 -4.86 120.64 123.64 2wkr n GLU 412 Ca -0.10 -3.14 -0.13 0.00 -0.02 0.00 0.00 57.16 53.78 2wkr n GLU 412 Cb 0.42 -2.94 -0.10 0.00 -0.02 0.00 0.00 31.44 28.80 2wkr n GLU 412 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2wkr s LYS 413 N 0.97 1.11 -0.21 3.49 -0.14 -1.26 -5.03 119.74 118.67 2wkr s LYS 413 Ca 0.48 -1.55 -0.27 0.00 -1.36 0.00 0.00 55.97 53.26 2wkr s LYS 413 Cb 0.13 -0.03 -0.00 0.00 -1.68 0.00 0.00 37.83 36.26 2wkr s LYS 413 CO -0.04 -0.24 0.95 -0.80 -0.76 0.00 0.00 175.35 174.46 2wkr s ASN 414 N -3.15 7.03 0.06 2.83 0.01 -1.26 -4.39 114.94 116.06 2wkr s ASN 414 Ca 0.28 1.28 -0.26 0.00 -0.71 0.00 0.00 52.86 53.45 2wkr s ASN 414 Cb 0.07 -2.50 0.09 0.00 0.41 0.00 0.00 41.25 39.32 2wkr s ASN 414 CO 0.06 -0.56 0.79 0.72 -1.51 0.00 0.00 177.10 176.59 2wkr s PHE 415 N 2.81 -0.40 0.12 2.20 -0.71 -1.26 -1.96 117.98 118.79 2wkr s PHE 415 Ca 0.41 0.23 0.01 0.00 -1.04 0.00 0.00 56.93 56.54 2wkr s PHE 415 Cb -0.16 0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 42.16 2wkr s PHE 415 CO 0.09 -0.67 -0.02 0.14 -1.34 0.00 0.00 175.22 173.41 2wkr s VAL 416 N -3.36 0.55 -0.05 -2.49 -7.23 -0.39 -1.74 120.40 105.70 2wkr s VAL 416 Ca 0.04 -1.93 0.04 0.00 -1.81 0.00 0.00 61.98 58.31 2wkr s VAL 416 Cb -0.01 -1.87 -0.00 0.00 0.56 0.00 0.00 36.38 35.06 2wkr s VAL 416 CO -0.10 -0.69 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.21 2wkr s ILE 417 N -3.73 1.37 0.26 -0.62 1.01 0.33 -1.64 121.20 118.19 2wkr s ILE 417 Ca 0.17 -0.67 0.11 0.00 0.00 0.00 0.00 60.65 60.26 2wkr s ILE 417 Cb 0.06 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2wkr s ILE 417 CO -0.01 0.40 -0.16 0.42 0.00 0.00 0.00 174.94 175.58 2wkr s THR 418 N 0.15 2.68 -0.40 2.92 -4.23 -0.51 0.35 115.64 116.60 2wkr s THR 418 Ca -0.06 -2.20 -0.03 0.00 -1.18 0.00 0.00 61.69 58.22 2wkr s THR 418 Cb -0.12 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.43 2wkr s THR 418 CO 0.03 -0.33 0.18 -0.62 -0.54 0.00 0.00 174.62 173.34 2wkr s ASP 419 N -3.35 5.22 0.09 3.99 -1.08 -0.46 -2.16 116.67 118.93 2wkr s ASP 419 Ca 0.28 -1.94 0.20 0.00 -0.52 0.00 0.00 52.55 50.57 2wkr s ASP 419 Cb -0.06 -1.82 0.81 0.00 -1.46 0.00 0.00 42.92 40.40 2wkr s ASP 419 CO 0.15 -0.51 1.61 -0.81 0.52 0.00 0.00 175.17 176.13 2wkr n PRO 420 N 4.60 0.08 0.20 4.34 -0.05 -1.26 -2.27 135.00 140.64 2wkr n PRO 420 Ca -0.03 0.27 0.06 0.00 -0.05 0.00 0.00 63.50 63.75 2wkr n PRO 420 Cb 0.42 -1.63 0.42 0.00 -0.05 0.00 0.00 33.50 32.66 2wkr n PRO 420 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2wkr h ARG 421 N 0.00 0.00 -6.66 0.54 3.08 -1.89 -3.43 114.38 106.02 2wkr h ARG 421 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 2wkr h ARG 421 Cb 0.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2wkr h ARG 421 CO 0.00 0.32 -0.02 -0.51 -1.07 0.00 0.00 179.97 178.69 2wkr s LEU 422 N -7.35 3.94 -0.03 3.04 1.43 -0.96 -4.87 118.68 113.88 2wkr s LEU 422 Ca -0.01 0.90 -0.36 0.00 -1.03 0.00 0.00 54.13 53.63 2wkr s LEU 422 Cb 0.12 -3.75 -0.14 0.00 0.03 0.00 0.00 46.19 42.44 2wkr s LEU 422 CO 0.67 -0.30 1.64 -2.65 0.23 0.00 0.00 176.35 175.94 2wkr n PRO 423 N -1.16 1.65 -1.28 1.29 -0.02 -1.26 -1.70 135.00 132.52 2wkr n PRO 423 Ca 0.00 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2wkr n PRO 423 Cb 0.54 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2wkr n PRO 423 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2wkr n ASP 424 N 4.51 -4.37 -3.44 2.55 2.03 -1.26 -4.30 116.55 112.27 2wkr n ASP 424 Ca 0.21 0.24 -0.21 0.00 0.52 0.00 0.00 54.79 55.55 2wkr n ASP 424 Cb 0.22 -2.71 0.06 0.00 -0.72 0.00 0.00 41.12 37.97 2wkr n ASP 424 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2wkr n ASN 425 N 0.10 -5.30 -4.78 1.67 5.15 -0.69 -4.53 115.26 106.88 2wkr n ASN 425 Ca -0.10 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 52.74 2wkr n ASN 425 Cb 0.35 -4.57 -0.00 0.00 -0.53 0.00 0.00 39.78 35.03 2wkr n ASN 425 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2wkr s PRO 426 N -5.09 3.40 0.04 1.20 0.02 -1.24 -4.53 135.00 128.79 2wkr s PRO 426 Ca 0.38 1.47 -0.31 0.00 0.02 0.00 0.00 61.00 62.57 2wkr s PRO 426 Cb -0.08 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 2wkr s PRO 426 CO 0.78 -0.78 1.45 0.42 -0.33 0.00 0.00 177.00 178.53 2wkr s ILE 427 N -1.97 3.49 -0.90 2.83 1.01 -0.28 -1.35 121.20 124.02 2wkr s ILE 427 Ca 0.70 0.94 0.10 0.00 0.00 0.00 0.00 60.65 62.39 2wkr s ILE 427 Cb -0.21 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 2wkr s ILE 427 CO 0.28 0.02 0.62 2.30 0.00 0.00 0.00 174.94 178.16 2wkr n ILE 428 N 4.51 0.00 -3.65 2.92 -6.64 0.15 -0.70 119.36 115.95 2wkr n ILE 428 Ca 0.13 -0.39 -0.13 0.00 -1.77 0.00 0.00 62.75 60.59 2wkr n ILE 428 Cb 0.43 1.11 -0.08 0.00 -1.44 0.00 0.00 39.64 39.66 2wkr n ILE 428 CO 0.00 0.00 0.00 0.12 -1.77 0.00 0.00 176.55 174.90 2wkr s PHE 429 N -1.39 -0.75 -0.01 4.28 5.36 -0.93 -4.72 117.98 119.81 2wkr s PHE 429 Ca 0.08 1.77 0.01 0.00 -0.96 0.00 0.00 56.93 57.83 2wkr s PHE 429 Cb 0.08 0.29 0.01 0.00 -0.34 0.00 0.00 43.02 43.06 2wkr s PHE 429 CO 0.26 -0.37 -0.01 0.00 -1.46 0.00 0.00 175.22 173.64 2wkr s ALA 430 N 0.55 0.24 0.55 11.12 0.00 -1.26 -0.51 121.76 132.44 2wkr s ALA 430 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 2wkr s ALA 430 Cb -0.05 -0.15 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 2wkr s ALA 430 CO -0.02 0.00 1.01 -1.54 0.00 0.00 0.00 175.76 175.21 2wkr s SER 431 N 0.36 6.37 0.27 0.00 1.04 -0.71 -4.93 113.70 116.09 2wkr s SER 431 Ca -0.03 1.61 -0.01 0.00 0.48 0.00 0.00 55.95 57.99 2wkr s SER 431 Cb -0.06 -2.51 0.47 0.00 0.10 0.00 0.00 66.02 64.02 2wkr s SER 431 CO -0.01 -0.76 1.84 0.44 0.98 0.00 0.00 173.24 175.73 2wkr h ASP 432 N 0.64 0.89 -0.84 7.02 3.32 -1.91 -1.89 116.42 123.64 2wkr h ASP 432 Ca -0.46 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 2wkr h ASP 432 Cb 1.19 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 2wkr h ASP 432 CO 0.61 0.51 0.51 0.28 -1.72 0.00 0.00 179.24 179.42 2wkr h SER 433 N 0.99 1.01 -0.44 6.45 0.02 -1.93 0.48 113.55 120.14 2wkr h SER 433 Ca 0.45 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 2wkr h SER 433 Cb 0.37 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 2wkr h SER 433 CO -0.24 0.78 0.28 0.15 -1.14 0.00 0.00 176.83 176.67 2wkr h PHE 434 N 1.16 0.56 -0.58 3.45 3.57 -1.57 0.33 116.94 123.86 2wkr h PHE 434 Ca 0.30 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 2wkr h PHE 434 Cb -0.04 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 2wkr h PHE 434 CO -0.00 0.36 0.26 -0.07 -2.23 0.00 0.00 178.31 176.63 2wkr h LEU 435 N 0.59 0.77 0.28 0.59 3.38 -0.88 -0.35 115.31 119.68 2wkr h LEU 435 Ca 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wkr h LEU 435 Cb -0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2wkr h LEU 435 CO -0.03 0.70 -0.13 1.56 0.09 0.00 0.00 178.44 180.62 2wkr h GLN 436 N 0.78 -0.36 -0.51 1.13 4.20 -0.58 0.42 115.11 120.20 2wkr h GLN 436 Ca 0.20 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.02 2wkr h GLN 436 Cb 0.14 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.93 2wkr h GLN 436 CO -0.02 -0.23 0.07 1.25 -0.67 0.00 0.00 178.83 179.22 2wkr h LEU 437 N -0.38 -0.08 0.00 1.46 5.85 -0.08 -3.01 115.31 119.07 2wkr h LEU 437 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2wkr h LEU 437 Cb 0.29 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2wkr h LEU 437 CO 0.06 -0.01 -0.84 0.35 -0.34 0.00 0.00 178.44 177.66 2wkr n THR 438 N -5.16 0.36 -1.01 1.05 -2.24 -0.16 -4.85 114.28 102.26 2wkr n THR 438 Ca 0.06 -0.33 -0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2wkr n THR 438 Cb 0.26 -0.08 -0.00 0.00 -2.10 0.00 0.00 70.33 68.41 2wkr n THR 438 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wkr n GLU 439 N -2.19 -0.41 -3.07 -0.78 1.02 0.15 -0.76 120.64 114.58 2wkr n GLU 439 Ca 0.02 0.16 -0.24 0.00 -0.02 0.00 0.00 57.16 57.07 2wkr n GLU 439 Cb 0.46 -3.51 -0.00 0.00 -0.02 0.00 0.00 31.44 28.38 2wkr n GLU 439 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wkr s TYR 440 N -1.82 3.42 0.29 -0.32 1.51 -1.14 -4.75 117.35 114.54 2wkr s TYR 440 Ca 0.00 0.42 -0.04 0.00 -1.01 0.00 0.00 57.07 56.44 2wkr s TYR 440 Cb 0.00 -2.14 -0.05 0.00 -0.11 0.00 0.00 41.96 39.67 2wkr s TYR 440 CO 0.00 -0.14 0.54 -1.54 -1.11 0.00 0.00 175.55 173.30 2wkr s SER 441 N -4.12 6.41 0.29 2.29 1.04 -1.26 -4.64 113.70 113.71 2wkr s SER 441 Ca 0.44 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2wkr s SER 441 Cb -0.10 -2.11 0.60 0.00 0.10 0.00 0.00 66.02 64.51 2wkr s SER 441 CO 0.39 -0.20 1.82 -0.09 0.98 0.00 0.00 173.24 176.13 2wkr h ARG 442 N 1.56 0.89 -0.19 4.02 2.43 -1.97 0.53 114.38 121.65 2wkr h ARG 442 Ca -0.48 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2wkr h ARG 442 Cb 1.19 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2wkr h ARG 442 CO 0.66 0.59 0.13 0.93 -1.51 0.00 0.00 179.97 180.76 2wkr h GLU 443 N 0.92 0.17 0.00 0.20 3.07 -1.93 -1.62 114.58 115.38 2wkr h GLU 443 Ca 0.52 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 2wkr h GLU 443 Cb 0.60 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 2wkr h GLU 443 CO -0.30 0.11 -0.28 0.39 -1.40 0.00 0.00 179.01 177.53 2wkr n GLU 444 N -4.51 0.19 -0.07 2.33 1.02 0.16 -4.47 120.64 115.29 2wkr n GLU 444 Ca 0.00 0.10 -0.15 0.00 -0.02 0.00 0.00 57.16 57.09 2wkr n GLU 444 Cb 0.13 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.83 2wkr n GLU 444 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wkr n ILE 445 N -1.97 0.79 -1.73 -3.67 2.08 -0.76 -4.87 119.36 109.23 2wkr n ILE 445 Ca 0.05 -0.20 -0.40 0.00 0.56 0.00 0.00 62.75 62.76 2wkr n ILE 445 Cb 0.40 -1.68 0.02 0.00 -0.75 0.00 0.00 39.64 37.64 2wkr n ILE 445 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2wkr n LEU 446 N -3.62 4.77 0.00 1.39 4.77 -0.69 -2.01 117.00 121.61 2wkr n LEU 446 Ca -0.28 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2wkr n LEU 446 Cb 0.70 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2wkr n LEU 446 CO 0.02 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.17 2wkr n GLY 447 N 0.74 1.88 3.50 -0.72 0.00 0.12 -4.71 105.19 106.00 2wkr n GLY 447 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2wkr n GLY 447 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkr s ARG 448 N -0.18 1.78 0.20 1.61 0.52 -0.85 -4.71 118.95 117.32 2wkr s ARG 448 Ca 0.00 -1.74 -0.28 0.00 -0.52 0.00 0.00 55.73 53.19 2wkr s ARG 448 Cb 0.00 -1.82 -0.08 0.00 0.52 0.00 0.00 34.95 33.57 2wkr s ARG 448 CO 0.00 0.31 0.87 1.21 0.02 0.00 0.00 175.30 177.71 2wkr s ASN 449 N -3.55 7.53 0.00 0.23 3.84 -1.26 -1.13 114.94 120.61 2wkr s ASN 449 Ca 0.31 1.81 0.13 0.00 0.21 0.00 0.00 52.86 55.32 2wkr s ASN 449 Cb -0.04 -2.56 0.80 0.00 -0.55 0.00 0.00 41.25 38.90 2wkr s ASN 449 CO 0.16 0.17 1.38 0.80 -2.79 0.00 0.00 177.10 176.82 2wkr n MET 450 N 1.59 0.81 0.25 0.43 0.00 -1.26 -3.99 117.12 114.96 2wkr n MET 450 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.70 57.84 2wkr n MET 450 Cb 0.48 -1.26 0.88 0.00 0.00 0.00 0.00 33.22 33.32 2wkr n MET 450 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 175.97 176.04 2wkr h ARG 451 N 0.00 0.00 0.00 2.12 0.11 -1.99 -2.56 114.38 112.06 2wkr h ARG 451 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wkr h ARG 451 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2wkr h ARG 451 CO 0.00 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.34 2wkr h PHE 452 N 0.00 0.00 0.00 4.08 -0.00 -2.00 -0.93 116.94 118.09 2wkr h PHE 452 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 57.94 2wkr h PHE 452 Cb 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.03 2wkr h PHE 452 CO 0.00 0.00 -0.15 -0.07 -0.00 0.00 0.00 178.31 178.09 2wkr h LEU 453 N 0.00 0.00-10.27 2.10 3.38 -1.72 -3.45 115.31 105.35 2wkr h LEU 453 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 2wkr h LEU 453 Cb 0.09 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.90 2wkr h LEU 453 CO 0.00 0.15 0.38 -1.10 0.09 0.00 0.00 178.44 177.96 2wkr s GLN 454 N -3.89 3.41 0.00 1.13 -0.21 -0.36 0.31 119.66 120.05 2wkr s GLN 454 Ca -0.01 0.98 0.00 0.00 0.02 0.00 0.00 55.36 56.35 2wkr s GLN 454 Cb 0.11 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 32.07 2wkr s GLN 454 CO 0.59 -0.72 0.00 0.41 -2.12 0.00 0.00 175.29 173.45 2wkr n GLY 455 N -1.78 2.58 0.21 3.09 0.00 -1.26 -4.81 105.19 103.22 2wkr n GLY 455 Ca 0.07 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.12 2wkr n GLY 455 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wkr h PRO 456 N 0.00 -0.02 -0.07 1.61 0.11 -1.97 -1.86 132.00 129.79 2wkr h PRO 456 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wkr h PRO 456 Cb 0.00 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2wkr h PRO 456 CO 0.00 -0.02 0.00 0.39 -0.21 0.00 0.00 178.00 178.16 2wkr n GLU 457 N -5.37 1.59 -2.14 1.05 1.02 -1.26 -4.88 120.64 110.65 2wkr n GLU 457 Ca 0.04 -0.87 -0.42 0.00 -0.02 0.00 0.00 57.16 55.90 2wkr n GLU 457 Cb 0.27 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 2wkr n GLU 457 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wkr s THR 458 N -1.92 3.12 -0.46 2.62 2.01 -0.70 -4.76 115.64 115.56 2wkr s THR 458 Ca 0.36 0.86 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 2wkr s THR 458 Cb 0.19 -3.55 0.01 0.00 0.01 0.00 0.00 72.50 69.16 2wkr s THR 458 CO 0.30 0.09 1.47 -0.62 -0.69 0.00 0.00 174.62 175.17 2wkr s ASP 459 N 0.77 6.18 0.53 3.53 -1.08 -1.26 -4.88 116.67 120.46 2wkr s ASP 459 Ca 0.62 0.68 0.30 0.00 -0.52 0.00 0.00 52.55 53.63 2wkr s ASP 459 Cb -0.38 -2.54 1.44 0.00 -1.46 0.00 0.00 42.92 39.98 2wkr s ASP 459 CO 0.34 -1.59 2.04 0.03 0.52 0.00 0.00 175.17 176.52 2wkr h ARG 460 N 11.21 0.00 -0.62 4.34 3.08 -1.96 -0.85 114.38 129.59 2wkr h ARG 460 Ca -0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 2wkr h ARG 460 Cb 1.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.13 2wkr h ARG 460 CO 1.12 0.10 0.15 0.00 -1.07 0.00 0.00 179.97 180.27 2wkr h ALA 461 N 1.90 0.81 -0.62 0.04 0.00 -2.00 -1.54 119.26 117.86 2wkr h ALA 461 Ca -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 2wkr h ALA 461 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wkr h ALA 461 CO 0.01 0.52 0.08 1.15 0.00 0.00 0.00 179.25 181.02 2wkr h THR 462 N 0.90 1.26 -0.95 0.00 2.02 -1.57 -2.61 112.91 111.96 2wkr h THR 462 Ca 0.19 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2wkr h THR 462 Cb 0.35 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2wkr h THR 462 CO 0.00 0.38 0.58 0.58 0.37 0.00 0.00 175.52 177.43 2wkr h VAL 463 N 0.95 1.26 -0.94 3.16 2.07 -1.19 -2.32 116.25 119.24 2wkr h VAL 463 Ca 0.19 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.17 2wkr h VAL 463 Cb 0.44 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 2wkr h VAL 463 CO 0.01 0.27 0.62 0.03 0.02 0.00 0.00 177.57 178.52 2wkr h ARG 464 N 1.31 1.21 -0.94 1.57 3.08 -0.93 -0.89 114.38 118.79 2wkr h ARG 464 Ca 0.34 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.37 2wkr h ARG 464 Cb -0.07 -0.27 -0.06 0.00 0.08 0.00 0.00 29.97 29.65 2wkr h ARG 464 CO -0.07 0.80 0.61 0.87 -1.07 0.00 0.00 179.97 181.12 2wkr h LYS 465 N 1.24 1.10 0.05 0.04 1.57 -1.10 0.17 116.57 119.65 2wkr h LYS 465 Ca 0.35 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wkr h LYS 465 Cb -0.10 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 31.96 2wkr h LYS 465 CO -0.09 0.73 -0.02 0.82 -0.57 0.00 0.00 179.45 180.32 2wkr h ILE 466 N 1.14 1.12 -0.64 1.86 2.04 -1.04 -1.64 117.51 120.35 2wkr h ILE 466 Ca 0.39 -0.55 0.06 0.00 1.00 0.00 0.00 64.86 65.75 2wkr h ILE 466 Cb 0.09 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2wkr h ILE 466 CO -0.13 0.14 0.35 -0.09 0.00 0.00 0.00 178.15 178.41 2wkr h ARG 467 N -0.31 0.63 -0.32 2.37 2.43 -0.75 -1.19 114.38 117.25 2wkr h ARG 467 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wkr h ARG 467 Cb 0.28 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2wkr h ARG 467 CO 0.01 0.42 0.19 -0.44 -1.51 0.00 0.00 179.97 178.63 2wkr h ASP 468 N 0.65 0.39 -0.47 -3.80 3.32 -0.62 -0.51 116.42 115.38 2wkr h ASP 468 Ca 0.28 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2wkr h ASP 468 Cb 0.17 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 2wkr h ASP 468 CO -0.18 0.34 0.27 0.00 -1.72 0.00 0.00 179.24 177.96 2wkr h ALA 469 N 1.06 0.60 0.04 3.45 0.00 -0.87 -0.75 119.26 122.80 2wkr h ALA 469 Ca 0.11 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wkr h ALA 469 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wkr h ALA 469 CO -0.02 -0.04 -0.07 0.82 0.00 0.00 0.00 179.25 179.93 2wkr h ILE 470 N 0.55 0.82 -1.00 0.00 2.04 -0.97 -0.47 117.51 118.48 2wkr h ILE 470 Ca 0.19 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.15 2wkr h ILE 470 Cb 0.03 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 36.85 2wkr h ILE 470 CO -0.10 0.00 0.63 0.44 0.00 0.00 0.00 178.15 179.12 2wkr h ASP 471 N -0.15 0.95 -0.14 1.72 3.32 -0.88 -1.09 116.42 120.15 2wkr h ASP 471 Ca 0.02 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wkr h ASP 471 Cb 0.16 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2wkr h ASP 471 CO -0.05 0.54 0.00 0.59 -1.72 0.00 0.00 179.24 178.60 2wkr n ASN 472 N -4.59 1.38 -3.81 6.45 5.03 -0.30 -4.93 115.26 114.48 2wkr n ASN 472 Ca 0.18 -1.67 -0.24 0.00 0.87 0.00 0.00 54.58 53.71 2wkr n ASN 472 Cb 0.30 -0.09 0.01 0.00 -1.02 0.00 0.00 39.78 38.98 2wkr n ASN 472 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wkr n GLN 473 N 0.13 -4.41 -4.37 3.52 6.02 -0.31 -4.99 117.38 112.98 2wkr n GLN 473 Ca 0.15 0.54 -0.18 0.00 -0.01 0.00 0.00 57.00 57.50 2wkr n GLN 473 Cb 0.28 -5.00 -0.10 0.00 1.02 0.00 0.00 30.24 26.44 2wkr n GLN 473 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2wkr s THR 474 N -3.72 0.91 0.44 5.09 -4.23 -0.49 -4.85 115.64 108.78 2wkr s THR 474 Ca 0.08 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.45 2wkr s THR 474 Cb -0.04 -2.60 -0.07 0.00 1.34 0.00 0.00 72.50 71.12 2wkr s THR 474 CO 0.84 -0.10 0.84 -1.83 -0.54 0.00 0.00 174.62 173.83 2wkr s GLU 475 N -3.94 3.85 0.05 3.99 -1.05 -1.26 -4.41 118.70 115.94 2wkr s GLU 475 Ca 0.35 0.65 -0.20 0.00 -0.15 0.00 0.00 54.97 55.61 2wkr s GLU 475 Cb 0.08 -2.31 0.04 0.00 -0.44 0.00 0.00 34.13 31.50 2wkr s GLU 475 CO 0.13 -0.10 0.46 0.54 0.95 0.00 0.00 175.26 177.24 2wkr s VAL 476 N -2.43 0.04 -0.04 1.83 0.11 -0.46 -4.99 120.40 114.46 2wkr s VAL 476 Ca 0.54 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2wkr s VAL 476 Cb -0.10 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2wkr s VAL 476 CO 0.30 -0.20 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.97 2wkr s THR 477 N -2.57 0.33 0.22 5.04 2.01 -1.26 -0.64 115.64 118.77 2wkr s THR 477 Ca -0.05 0.04 -0.06 0.00 0.31 0.00 0.00 61.69 61.93 2wkr s THR 477 Cb -0.01 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2wkr s THR 477 CO -0.03 0.20 0.28 0.68 -0.69 0.00 0.00 174.62 175.06 2wkr s VAL 478 N 1.24 0.00 -0.06 3.82 -7.23 -0.19 -4.98 120.40 113.00 2wkr s VAL 478 Ca -0.06 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.39 2wkr s VAL 478 Cb -0.13 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.42 2wkr s VAL 478 CO -0.02 0.00 -0.18 -1.10 -0.31 0.00 0.00 175.10 173.49 2wkr s GLN 479 N -4.07 2.11 0.12 4.82 -0.21 -1.26 0.13 119.66 121.30 2wkr s GLN 479 Ca 0.32 -0.66 -0.16 0.00 0.02 0.00 0.00 55.36 54.89 2wkr s GLN 479 Cb 0.04 -1.74 0.03 0.00 1.00 0.00 0.00 33.01 32.34 2wkr s GLN 479 CO 0.11 0.20 0.39 -0.48 -2.12 0.00 0.00 175.29 173.40 2wkr s LEU 480 N 0.20 0.45 0.08 2.90 2.34 -0.63 -4.96 118.68 119.07 2wkr s LEU 480 Ca -0.09 -0.32 -0.30 0.00 0.06 0.00 0.00 54.13 53.47 2wkr s LEU 480 Cb -0.14 1.80 -0.05 0.00 -0.56 0.00 0.00 46.19 47.24 2wkr s LEU 480 CO 0.04 -0.84 1.05 -0.63 -1.06 0.00 0.00 176.35 174.91 2wkr s ILE 481 N -3.78 4.36 0.33 1.48 -1.09 -1.26 -0.67 121.20 120.58 2wkr s ILE 481 Ca 0.03 1.82 0.04 0.00 -2.23 0.00 0.00 60.65 60.31 2wkr s ILE 481 Cb 0.02 -4.17 -0.06 0.00 -1.58 0.00 0.00 42.46 36.67 2wkr s ILE 481 CO -0.12 0.21 0.05 0.20 -1.23 0.00 0.00 174.94 174.06 2wkr s ASN 482 N 0.52 2.48 0.01 3.58 0.02 -0.13 -4.49 114.94 116.93 2wkr s ASN 482 Ca 0.52 -1.37 0.04 0.00 -1.02 0.00 0.00 52.86 51.02 2wkr s ASN 482 Cb -0.25 -0.11 -0.01 0.00 0.02 0.00 0.00 41.25 40.90 2wkr s ASN 482 CO 0.30 -0.59 -0.11 -0.31 0.02 0.00 0.00 177.10 176.41 2wkr s TYR 483 N -3.25 1.00 0.97 2.20 1.51 0.15 -1.12 117.35 118.81 2wkr s TYR 483 Ca 0.36 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 56.01 2wkr s TYR 483 Cb 0.09 -0.62 0.19 0.00 -0.11 0.00 0.00 41.96 41.51 2wkr s TYR 483 CO 0.16 -0.01 1.27 0.95 -1.11 0.00 0.00 175.55 176.81 2wkr s THR 484 N -0.52 1.95 0.40 -0.71 -4.23 -0.47 -4.65 115.64 107.41 2wkr s THR 484 Ca 0.02 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.62 2wkr s THR 484 Cb -0.06 -2.93 0.29 0.00 1.34 0.00 0.00 72.50 71.15 2wkr s THR 484 CO 0.00 0.00 2.00 0.50 -0.54 0.00 0.00 174.62 176.58 2wkr h LYS 485 N -1.68 0.57 -0.07 3.99 3.64 -1.24 -1.60 116.57 120.18 2wkr h LYS 485 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2wkr h LYS 485 Cb 1.26 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2wkr h LYS 485 CO 0.42 0.38 0.00 -1.13 -2.27 0.00 0.00 179.45 176.85 2wkr n SER 486 N -4.47 1.16 0.00 4.20 3.41 -1.26 -4.89 113.62 111.76 2wkr n SER 486 Ca 0.08 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 2wkr n SER 486 Cb 0.21 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2wkr n SER 486 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wkr n GLY 487 N 1.08 0.77 3.69 5.00 0.00 -0.60 -5.04 105.19 110.09 2wkr n GLY 487 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wkr n GLY 487 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wkr s LYS 488 N -0.65 4.27 0.32 1.61 2.20 -1.26 -4.73 119.74 121.49 2wkr s LYS 488 Ca 0.00 2.04 -0.27 0.00 -0.36 0.00 0.00 55.97 57.38 2wkr s LYS 488 Cb 0.00 -3.54 -0.09 0.00 -1.51 0.00 0.00 37.83 32.68 2wkr s LYS 488 CO 0.00 -0.59 1.00 0.15 -0.36 0.00 0.00 175.35 175.56 2wkr s LYS 489 N 2.30 4.54 0.02 4.03 1.02 -1.26 -1.37 119.74 129.02 2wkr s LYS 489 Ca 0.66 1.51 -0.12 0.00 0.02 0.00 0.00 55.97 58.03 2wkr s LYS 489 Cb -0.33 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.08 2wkr s LYS 489 CO 0.28 0.21 0.26 -0.59 -0.92 0.00 0.00 175.35 174.59 2wkr s PHE 490 N -1.44 -0.08 0.15 3.18 -0.71 -0.27 -4.97 117.98 113.83 2wkr s PHE 490 Ca 0.49 -0.00 -0.28 0.00 -1.04 0.00 0.00 56.93 56.10 2wkr s PHE 490 Cb -0.24 0.05 -0.07 0.00 -1.21 0.00 0.00 43.02 41.55 2wkr s PHE 490 CO 0.30 -0.43 0.86 -1.58 -1.34 0.00 0.00 175.22 173.04 2wkr s TRP 491 N -2.03 3.87 -0.25 3.49 0.52 0.13 -0.95 118.94 123.72 2wkr s TRP 491 Ca -0.09 1.71 0.02 0.00 0.02 0.00 0.00 56.10 57.76 2wkr s TRP 491 Cb -0.03 -2.90 0.06 0.00 -1.15 0.00 0.00 33.47 29.45 2wkr s TRP 491 CO -0.00 0.38 -0.07 1.21 0.02 0.00 0.00 176.95 178.48 2wkr s ASN 492 N -0.65 4.14 -0.53 2.95 3.84 0.16 -0.95 114.94 123.89 2wkr s ASN 492 Ca 0.40 -1.30 -0.24 0.00 0.21 0.00 0.00 52.86 51.93 2wkr s ASN 492 Cb -0.23 -1.35 0.04 0.00 -0.55 0.00 0.00 41.25 39.16 2wkr s ASN 492 CO 0.28 -0.22 0.91 -0.22 -2.79 0.00 0.00 177.10 175.06 2wkr s LEU 493 N 1.26 4.15 -0.13 3.21 2.96 -0.05 -1.61 118.68 128.46 2wkr s LEU 493 Ca -0.07 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.53 2wkr s LEU 493 Cb -0.19 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 2wkr s LEU 493 CO -0.06 -1.17 -0.14 0.12 -1.32 0.00 0.00 176.35 173.78 2wkr s PHE 494 N 3.82 2.79 -0.09 5.38 5.36 0.12 -1.41 117.98 133.95 2wkr s PHE 494 Ca 0.30 -0.73 0.04 0.00 -0.96 0.00 0.00 56.93 55.58 2wkr s PHE 494 Cb -0.13 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.70 2wkr s PHE 494 CO 0.20 -0.27 -0.23 -1.58 -1.46 0.00 0.00 175.22 171.88 2wkr s HIS 495 N 0.43 2.55 0.01 10.12 5.65 -0.44 -1.02 115.29 132.59 2wkr s HIS 495 Ca -0.11 -0.90 0.08 0.00 0.25 0.00 0.00 55.06 54.38 2wkr s HIS 495 Cb -0.16 -1.69 -0.02 0.00 -1.18 0.00 0.00 32.58 29.53 2wkr s HIS 495 CO 0.05 -0.33 -0.24 -1.17 -0.65 0.00 0.00 174.74 172.41 2wkr s LEU 496 N 0.18 2.10 -0.14 8.88 0.20 0.19 -0.73 118.68 129.35 2wkr s LEU 496 Ca -0.13 -0.48 -0.24 0.00 0.69 0.00 0.00 54.13 53.97 2wkr s LEU 496 Cb -0.16 -1.18 0.06 0.00 -0.43 0.00 0.00 46.19 44.48 2wkr s LEU 496 CO 0.07 0.26 0.60 0.00 -0.29 0.00 0.00 176.35 176.99 2wkr s GLN 497 N -0.83 0.84 0.55 1.98 -2.07 -0.34 -1.36 119.66 118.42 2wkr s GLN 497 Ca 0.09 0.51 -0.20 0.00 -1.82 0.00 0.00 55.36 53.94 2wkr s GLN 497 Cb -0.09 0.40 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 2wkr s GLN 497 CO 0.00 -0.19 1.16 -2.14 -1.32 0.00 0.00 175.29 172.81 2wkr s PRO 498 N -0.44 3.29 -0.17 9.60 0.02 -1.26 -0.56 135.00 145.49 2wkr s PRO 498 Ca -0.06 1.71 -0.00 0.00 0.02 0.00 0.00 61.00 62.67 2wkr s PRO 498 Cb -0.03 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2wkr s PRO 498 CO 0.05 -0.92 -0.14 1.41 -0.33 0.00 0.00 177.00 177.06 2wkr s MET 499 N -3.21 3.20 0.08 5.54 1.75 0.28 -4.83 119.30 122.11 2wkr s MET 499 Ca 0.73 -0.74 0.02 0.00 -1.25 0.00 0.00 55.69 54.45 2wkr s MET 499 Cb -0.27 -2.67 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 2wkr s MET 499 CO 0.30 -0.05 0.13 1.03 -0.65 0.00 0.00 175.02 175.78 2wkr s ARG 500 N 0.99 3.07 0.60 4.11 0.52 -1.26 -0.29 118.95 126.69 2wkr s ARG 500 Ca -0.02 -0.62 -0.06 0.00 -0.52 0.00 0.00 55.73 54.51 2wkr s ARG 500 Cb -0.15 -2.83 0.13 0.00 0.52 0.00 0.00 34.95 32.63 2wkr s ARG 500 CO -0.03 0.57 0.82 -0.40 0.02 0.00 0.00 175.30 176.28 2wkr n ASP 501 N 0.31 0.54 -0.16 0.23 5.68 0.14 -4.82 116.55 118.47 2wkr n ASP 501 Ca -0.07 -1.59 -0.03 0.00 -0.50 0.00 0.00 54.79 52.60 2wkr n ASP 501 Cb 0.52 -0.58 0.06 0.00 -1.14 0.00 0.00 41.12 39.97 2wkr n ASP 501 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2wkr h GLN 502 N 0.00 0.33 -1.13 0.11 4.20 -2.00 0.11 115.11 116.73 2wkr h GLN 502 Ca -0.27 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2wkr h GLN 502 Cb 0.85 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.56 2wkr h GLN 502 CO 0.23 0.22 0.00 1.63 -0.67 0.00 0.00 178.83 180.24 2wkr n LYS 503 N -5.01 0.80 -0.54 1.46 5.02 -1.26 -4.79 118.16 113.85 2wkr n LYS 503 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2wkr n LYS 503 Cb 0.20 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 2wkr n LYS 503 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wkr n GLY 504 N 0.51 0.10 3.78 0.72 0.00 0.37 -4.94 105.19 105.73 2wkr n GLY 504 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wkr n GLY 504 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wkr s ASP 505 N -2.10 6.43 -0.00 1.61 1.01 -1.26 -4.67 116.67 117.69 2wkr s ASP 505 Ca 0.00 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 55.15 2wkr s ASP 505 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2wkr s ASP 505 CO 0.00 -0.73 1.39 -0.69 0.21 0.00 0.00 175.17 175.34 2wkr s VAL 506 N -1.59 3.75 -0.26 -1.27 1.01 -1.26 0.28 120.40 121.05 2wkr s VAL 506 Ca 0.61 1.13 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 2wkr s VAL 506 Cb -0.26 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 2wkr s VAL 506 CO 0.32 -0.00 -0.30 1.67 0.00 0.00 0.00 175.10 176.79 2wkr n GLN 507 N 5.34 0.59 -4.23 2.72 7.27 0.60 -4.86 117.38 124.81 2wkr n GLN 507 Ca 0.13 0.21 -0.13 0.00 0.07 0.00 0.00 57.00 57.28 2wkr n GLN 507 Cb 0.44 -1.48 -0.10 0.00 2.41 0.00 0.00 30.24 31.51 2wkr n GLN 507 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 2wkr s TYR 508 N -2.50 1.20 -0.09 3.69 2.02 -1.03 -4.23 117.35 116.40 2wkr s TYR 508 Ca -0.36 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 55.23 2wkr s TYR 508 Cb 0.12 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 2wkr s TYR 508 CO 0.51 -0.31 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.04 2wkr s PHE 509 N -3.77 2.91 -0.14 2.71 0.08 -0.92 -0.56 117.98 118.29 2wkr s PHE 509 Ca 0.27 -0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 2wkr s PHE 509 Cb 0.07 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.70 2wkr s PHE 509 CO 0.06 0.15 0.06 0.42 -0.10 0.00 0.00 175.22 175.80 2wkr s ILE 510 N -0.37 4.80 -0.07 0.64 1.01 0.28 -1.43 121.20 126.07 2wkr s ILE 510 Ca 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2wkr s ILE 510 Cb -0.12 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.25 2wkr s ILE 510 CO 0.02 0.53 -0.09 -0.83 0.00 0.00 0.00 174.94 174.57 2wkr s GLY 511 N -0.25 0.71 -0.11 6.18 0.00 -0.65 -1.20 107.32 111.99 2wkr s GLY 511 Ca 0.08 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.49 2wkr s GLY 511 CO 0.01 0.37 -0.23 0.14 0.00 0.00 0.00 173.10 173.39 2wkr s VAL 512 N 0.97 2.01 -0.18 1.40 1.01 0.09 -1.26 120.40 124.45 2wkr s VAL 512 Ca -0.09 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2wkr s VAL 512 Cb -0.15 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2wkr s VAL 512 CO 0.00 0.55 -0.05 -1.10 0.00 0.00 0.00 175.10 174.50 2wkr s GLN 513 N 0.56 3.53 -0.33 2.72 1.11 -0.83 -1.33 119.66 125.10 2wkr s GLN 513 Ca -0.14 -0.58 -0.02 0.00 0.01 0.00 0.00 55.36 54.63 2wkr s GLN 513 Cb -0.17 -2.92 0.07 0.00 -1.01 0.00 0.00 33.01 28.98 2wkr s GLN 513 CO 0.04 0.08 0.06 -1.17 0.01 0.00 0.00 175.29 174.31 2wkr s LEU 514 N 0.76 4.31 0.16 2.90 2.96 -0.50 -4.27 118.68 125.01 2wkr s LEU 514 Ca -0.02 -1.50 -0.10 0.00 -0.22 0.00 0.00 54.13 52.28 2wkr s LEU 514 Cb -0.15 -1.75 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 2wkr s LEU 514 CO 0.02 -0.34 0.49 1.51 -1.32 0.00 0.00 176.35 176.71 2wkr s ASP 515 N 1.39 6.66 0.23 3.68 -4.77 -1.26 -0.87 116.67 121.73 2wkr s ASP 515 Ca -0.01 0.88 -0.06 0.00 -3.30 0.00 0.00 52.55 50.06 2wkr s ASP 515 Cb -0.20 -2.21 0.03 0.00 -1.09 0.00 0.00 42.92 39.44 2wkr s ASP 515 CO -0.02 0.05 0.41 0.61 0.70 0.00 0.00 175.17 176.92 2wkr n GLY 516 N 0.38 1.77 0.82 2.12 0.00 -0.13 -4.98 105.19 105.16 2wkr n GLY 516 Ca -0.03 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.81 2wkr n GLY 516 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wkr n THR 517 N -0.33 0.04 -3.95 2.61 -2.24 -1.26 -0.69 114.28 108.45 2wkr n THR 517 Ca -0.03 -0.52 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 2wkr n THR 517 Cb 0.36 1.39 -0.09 0.00 -2.10 0.00 0.00 70.33 69.88 2wkr n THR 517 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wkr s GLU 518 N -1.66 0.68 -0.79 -0.78 0.41 -1.26 -4.76 118.70 110.54 2wkr s GLU 518 Ca 0.24 -0.96 -0.26 0.00 -0.41 0.00 0.00 54.97 53.59 2wkr s GLU 518 Cb 0.17 0.26 0.03 0.00 -1.78 0.00 0.00 34.13 32.81 2wkr s GLU 518 CO 0.25 -0.18 1.35 -1.58 -0.49 0.00 0.00 175.26 174.61 2wkr s HIS 519 N -3.40 2.30 0.57 1.61 5.65 -1.26 -4.83 115.29 115.94 2wkr s HIS 519 Ca 0.02 -0.17 -0.17 0.00 0.25 0.00 0.00 55.06 54.99 2wkr s HIS 519 Cb 0.03 -4.61 -0.04 0.00 -1.18 0.00 0.00 32.58 26.78 2wkr s HIS 519 CO -0.08 -2.06 1.08 0.14 -0.65 0.00 0.00 174.74 173.17 2wkr s VAL 520 N 5.78 3.52 0.24 0.89 -7.23 -1.26 -5.07 120.40 117.28 2wkr s VAL 520 Ca 0.39 0.82 0.01 0.00 -1.81 0.00 0.00 61.98 61.38 2wkr s VAL 520 Cb -0.07 -3.31 -0.05 0.00 0.56 0.00 0.00 36.38 33.52 2wkr s VAL 520 CO 0.10 -0.33 0.12 -0.13 -0.31 0.00 0.00 175.10 174.54 2wkr s ARG 521 N -3.72 1.36 2.85 4.82 1.81 -1.26 -4.59 118.95 120.22 2wkr s ARG 521 Ca 0.67 -1.73 0.00 0.00 -1.72 0.00 0.00 55.73 52.95 2wkr s ARG 521 Cb -0.19 -0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.27 2wkr s ARG 521 CO 0.32 -0.35 0.00 -0.25 -0.68 0.00 0.00 175.30 174.34 2wkr n ASP 522 N -0.46 0.00 -0.23 0.23 8.00 -1.26 -1.92 116.55 120.91 2wkr n ASP 522 Ca 0.01 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.53 2wkr n ASP 522 Cb 0.66 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.90 2wkr n ASP 522 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wkr h ALA 523 N -0.39 0.92 -0.52 2.24 0.00 -1.99 -0.62 119.26 118.90 2wkr h ALA 523 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wkr h ALA 523 Cb 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2wkr h ALA 523 CO 0.00 -0.18 0.33 0.00 0.00 0.00 0.00 179.25 179.40 2wkr h ALA 524 N 1.47 0.66 0.10 0.00 0.00 -1.84 -1.36 119.26 118.29 2wkr h ALA 524 Ca 0.35 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2wkr h ALA 524 Cb 0.47 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2wkr h ALA 524 CO -0.34 0.12 -0.15 1.49 0.00 0.00 0.00 179.25 180.37 2wkr h GLU 525 N 0.69 -0.29 -0.55 0.00 4.81 -0.60 -0.75 114.58 117.90 2wkr h GLU 525 Ca 0.19 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.50 2wkr h GLU 525 Cb -0.05 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.34 2wkr h GLU 525 CO -0.04 -0.19 0.24 -0.09 -0.73 0.00 0.00 179.01 178.20 2wkr h ARG 526 N -0.30 0.44 -0.66 1.92 2.43 -0.91 -1.05 114.38 116.25 2wkr h ARG 526 Ca 0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wkr h ARG 526 Cb 0.31 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2wkr h ARG 526 CO -0.08 0.29 0.39 0.93 -1.51 0.00 0.00 179.97 179.99 2wkr h GLU 527 N 0.45 0.91 -0.83 0.20 5.08 -1.03 -2.52 114.58 116.83 2wkr h GLU 527 Ca 0.26 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2wkr h GLU 527 Cb 0.24 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2wkr h GLU 527 CO -0.22 0.65 0.53 0.78 -1.00 0.00 0.00 179.01 179.75 2wkr h GLY 528 N 0.90 1.22 1.06 -3.84 0.00 -0.12 -2.29 103.07 100.01 2wkr h GLY 528 Ca 0.24 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 2wkr h GLY 528 CO -0.04 0.31 -0.05 -2.08 0.00 0.00 0.00 176.54 174.68 2wkr h VAL 529 N 1.00 1.27 -0.52 4.60 2.07 -0.97 -2.37 116.25 121.34 2wkr h VAL 529 Ca 0.34 -1.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 2wkr h VAL 529 Cb 0.06 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2wkr h VAL 529 CO -0.13 0.42 -0.02 0.24 0.02 0.00 0.00 177.57 178.10 2wkr h MET 530 N 0.87 0.90 0.36 1.57 2.07 -1.29 -2.40 114.93 117.02 2wkr h MET 530 Ca 0.15 -0.27 -0.02 0.00 -2.07 0.00 0.00 59.70 57.49 2wkr h MET 530 Cb 0.60 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.25 2wkr h MET 530 CO 0.04 0.91 -0.17 1.25 1.07 0.00 0.00 176.91 180.01 2wkr h LEU 531 N 0.83 -0.41 -1.11 1.22 5.85 -1.21 -2.28 115.31 118.20 2wkr h LEU 531 Ca 0.15 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 2wkr h LEU 531 Cb 0.52 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2wkr h LEU 531 CO 0.03 -0.20 -0.37 0.16 -0.34 0.00 0.00 178.44 177.71 2wkr h ILE 532 N -0.60 1.29 -0.66 4.05 3.07 -1.42 -1.99 117.51 121.25 2wkr h ILE 532 Ca -0.05 -1.37 -0.04 0.00 1.55 0.00 0.00 64.86 64.94 2wkr h ILE 532 Cb 0.44 1.65 -0.03 0.00 -0.27 0.00 0.00 36.82 38.61 2wkr h ILE 532 CO 0.08 0.40 0.24 0.11 -1.05 0.00 0.00 178.15 177.94 2wkr h LYS 533 N 0.12 1.01 -0.39 0.16 1.57 -1.42 0.74 116.57 118.35 2wkr h LYS 533 Ca 0.01 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 2wkr h LYS 533 Cb 0.72 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2wkr h LYS 533 CO 0.05 0.86 0.21 -0.22 -0.57 0.00 0.00 179.45 179.78 2wkr h LYS 534 N 0.95 0.56 -0.73 3.15 1.63 -1.00 -2.16 116.57 118.96 2wkr h LYS 534 Ca 0.22 -0.07 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2wkr h LYS 534 Cb 0.24 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.72 2wkr h LYS 534 CO -0.01 0.47 0.46 1.15 -3.45 0.00 0.00 179.45 178.06 2wkr h THR 535 N 0.50 1.09 -0.70 1.00 2.02 -1.03 -1.86 112.91 113.93 2wkr h THR 535 Ca 0.14 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2wkr h THR 535 Cb 0.08 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 2wkr h THR 535 CO -0.02 0.16 0.44 0.00 0.37 0.00 0.00 175.52 176.47 2wkr h ALA 536 N 1.32 0.91 -0.72 6.16 0.00 -0.64 -0.97 119.26 125.32 2wkr h ALA 536 Ca 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 2wkr h ALA 536 Cb 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2wkr h ALA 536 CO -0.12 0.21 0.32 0.93 0.00 0.00 0.00 179.25 180.58 2wkr h GLU 537 N 0.85 1.05 -0.90 0.00 4.39 -0.79 -0.79 114.58 118.40 2wkr h GLU 537 Ca 0.28 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2wkr h GLU 537 Cb 0.03 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 2wkr h GLU 537 CO -0.11 0.84 0.58 -0.91 -1.16 0.00 0.00 179.01 178.25 2wkr h ASN 538 N 1.01 1.04 -0.32 1.42 2.35 -0.65 -2.06 115.58 118.37 2wkr h ASN 538 Ca 0.24 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 2wkr h ASN 538 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2wkr h ASN 538 CO -0.03 0.77 0.04 0.40 -1.65 0.00 0.00 177.43 176.97 2wkr h ILE 539 N 1.22 1.24 -0.26 2.81 2.04 -0.74 -1.12 117.51 122.70 2wkr h ILE 539 Ca 0.33 -0.84 0.06 0.00 1.00 0.00 0.00 64.86 65.40 2wkr h ILE 539 Cb -0.12 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2wkr h ILE 539 CO -0.07 0.28 -0.11 -0.78 0.00 0.00 0.00 178.15 177.47 2wkr h ASP 540 N 0.36 -0.38 -0.20 1.72 1.82 -0.84 0.78 116.42 119.68 2wkr h ASP 540 Ca 0.10 0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.85 2wkr h ASP 540 Cb 0.36 0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.57 2wkr h ASP 540 CO 0.01 -0.14 0.08 -0.33 -1.61 0.00 0.00 179.24 177.24 2wkr h GLU 541 N -0.07 0.17 -0.64 0.28 4.39 -1.25 -2.41 114.58 115.05 2wkr h GLU 541 Ca 0.14 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 2wkr h GLU 541 Cb 0.28 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2wkr h GLU 541 CO -0.31 0.11 0.22 0.00 -1.16 0.00 0.00 179.01 177.87 2wkr h ALA 542 N 1.12 1.18 0.00 3.43 0.00 -0.50 -3.02 119.26 121.47 2wkr h ALA 542 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2wkr h ALA 542 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wkr h ALA 542 CO -0.08 0.58 -0.18 0.00 0.00 0.00 0.00 179.25 179.57 2wkr h ALA 543 N 1.30 1.10 -0.05 0.00 0.00 0.85 -2.20 119.26 120.26 2wkr h ALA 543 Ca 0.21 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2wkr h ALA 543 Cb 0.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wkr h ALA 543 CO -0.01 0.22 0.14 0.87 0.00 0.00 0.00 179.25 180.47 2wkr h LYS 544 N 0.00 0.00 -0.02 0.00 1.57 -1.30 -1.22 116.57 115.61 2wkr h LYS 544 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wkr h LYS 544 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2wkr h LYS 544 CO 0.02 0.00 -0.26 0.39 -0.57 0.00 0.00 179.45 179.03 2wkr n GLU 545 N -3.29 1.50 -1.70 3.15 -0.58 -0.83 -4.93 120.64 113.96 2wkr n GLU 545 Ca -0.01 -1.16 -0.42 0.00 -0.42 0.00 0.00 57.16 55.14 2wkr n GLU 545 Cb 0.22 -1.48 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 2wkr n GLU 545 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wkr n LEU 546 N 0.26 4.04 -4.69 -4.62 7.94 -0.46 -4.68 117.00 114.79 2wkr n LEU 546 Ca 0.12 1.01 -0.39 0.00 -1.11 0.00 0.00 56.01 55.64 2wkr n LEU 546 Cb 0.47 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.80 2wkr n LEU 546 CO 0.23 0.18 0.28 -0.63 -1.11 0.00 0.00 177.39 176.35 2wkr s ILE 547 N 2.16 5.10 -0.36 1.96 1.01 0.00 -4.94 121.20 126.12 2wkr s ILE 547 Ca 0.79 1.10 -0.15 0.00 0.00 0.00 0.00 60.65 62.39 2wkr s ILE 547 Cb -0.49 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.08 2wkr s ILE 547 CO 0.35 0.21 0.34 -0.75 0.00 0.00 0.00 174.94 175.10 2wkr s LYS 548 N 1.29 3.39 -0.19 2.79 2.20 -1.26 -0.56 119.74 127.39 2wkr s LYS 548 Ca 0.28 -0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 55.28 2wkr s LYS 548 Cb -0.16 -3.86 0.01 0.00 -1.51 0.00 0.00 37.83 32.31 2wkr s LYS 548 CO 0.11 -0.59 -0.14 0.00 -0.36 0.00 0.00 175.35 174.37 2wkr s VAL 550 N 1.29 4.39 -0.29 0.00 1.01 -0.84 -0.47 120.40 125.48 2wkr s VAL 550 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 2wkr s VAL 550 Cb -0.14 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2wkr s VAL 550 CO -0.08 0.47 0.07 -0.69 0.00 0.00 0.00 175.10 174.87 2wkr s VAL 551 N 0.46 3.85 0.25 2.92 1.01 -0.41 -0.71 120.40 127.77 2wkr s VAL 551 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2wkr s VAL 551 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2wkr s VAL 551 CO 0.02 0.07 -0.09 0.68 0.00 0.00 0.00 175.10 175.77 2wkr s VAL 552 N 1.48 1.68 0.00 2.92 -7.23 -0.24 -3.28 120.40 115.72 2wkr s VAL 552 Ca 0.02 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.03 2wkr s VAL 552 Cb -0.17 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.47 2wkr s VAL 552 CO 0.02 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 2wkr n GLY 553 N -0.51 3.17 3.45 2.32 0.00 -1.26 -0.82 105.19 111.53 2wkr n GLY 553 Ca -0.06 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 2wkr n GLY 553 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wkr n ASP 554 N 0.00 -1.35 -4.71 1.61 9.92 -1.26 -3.99 116.55 116.78 2wkr n ASP 554 Ca 0.00 0.61 -0.42 0.00 -0.53 0.00 0.00 54.79 54.45 2wkr n ASP 554 Cb 0.00 -1.19 -0.00 0.00 -0.64 0.00 0.00 41.12 39.29 2wkr n ASP 554 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wkr n GLY 555 N 1.74 0.64 2.49 0.44 0.00 -1.25 -2.87 105.19 106.38 2wkr n GLY 555 Ca 0.10 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.42 2wkr n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkr n ALA 556 N 0.28 -0.00 0.47 4.61 0.00 -1.26 -4.87 120.51 119.74 2wkr n ALA 556 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 2wkr n ALA 556 Cb 0.37 -0.74 0.43 0.00 0.00 0.00 0.00 19.45 19.51 2wkr n ALA 556 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2wkr h VAL 557 N 0.00 0.00 0.00 0.00 -1.51 -1.88 -3.47 116.25 109.39 2wkr h VAL 557 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2wkr h VAL 557 Cb 0.49 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 2wkr h VAL 557 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2wkr n GLY 558 N 0.74 1.72 0.24 5.19 0.00 -1.26 -4.52 105.19 107.30 2wkr n GLY 558 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 2wkr n GLY 558 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wkr h LYS 559 N 0.00 -0.45 -0.28 1.61 1.57 -1.91 -2.10 116.57 115.02 2wkr h LYS 559 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2wkr h LYS 559 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2wkr h LYS 559 CO 0.00 -0.30 0.10 1.15 -0.57 0.00 0.00 179.45 179.83 2wkr h THR 560 N -0.46 1.19 -0.90 -0.16 2.02 -1.96 -2.54 112.91 110.10 2wkr h THR 560 Ca -0.01 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2wkr h THR 560 Cb 0.41 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 2wkr h THR 560 CO -0.01 0.20 0.59 0.00 0.37 0.00 0.00 175.52 176.67 2wkr h LEU 562 N 1.21 -0.02 -0.33 0.00 6.46 -1.28 0.26 115.31 121.60 2wkr h LEU 562 Ca 0.33 0.11 -0.18 0.00 -0.12 0.00 0.00 57.88 58.02 2wkr h LEU 562 Cb -0.12 0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 2wkr h LEU 562 CO -0.08 0.00 -0.52 -0.07 -0.62 0.00 0.00 178.44 177.15 2wkr h LEU 563 N 0.24 0.95 -0.23 2.25 3.38 -0.61 -2.29 115.31 119.00 2wkr h LEU 563 Ca 0.29 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2wkr h LEU 563 Cb 0.43 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wkr h LEU 563 CO -0.39 1.29 -0.22 0.40 0.09 0.00 0.00 178.44 179.62 2wkr h ILE 564 N 0.67 1.32 -0.50 1.22 2.04 -0.67 -2.10 117.51 119.49 2wkr h ILE 564 Ca 0.02 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.54 2wkr h ILE 564 Cb 1.12 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.87 2wkr h ILE 564 CO 0.12 0.43 0.28 -1.28 0.00 0.00 0.00 178.15 177.69 2wkr h SER 565 N 0.24 0.43 -0.45 1.72 0.87 -0.46 0.36 113.55 116.26 2wkr h SER 565 Ca 0.04 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.54 2wkr h SER 565 Cb 0.77 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2wkr h SER 565 CO 0.05 0.30 0.02 0.22 -0.53 0.00 0.00 176.83 176.89 2wkr h TYR 566 N 0.55 0.86 0.00 2.24 3.20 -1.37 0.29 116.97 122.73 2wkr h TYR 566 Ca 0.21 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2wkr h TYR 566 Cb 0.07 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2wkr h TYR 566 CO -0.08 0.83 -0.75 1.79 -1.64 0.00 0.00 178.16 178.31 2wkr h THR 567 N 0.64 0.00 0.00 1.81 1.35 -1.20 -3.38 112.91 112.13 2wkr h THR 567 Ca 0.13 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2wkr h THR 567 Cb 0.47 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2wkr h THR 567 CO 0.02 0.00 -0.05 0.35 -0.25 0.00 0.00 175.52 175.59 2wkr n THR 568 N -2.30 0.00 -1.50 6.82 -2.24 0.10 -5.01 114.28 110.15 2wkr n THR 568 Ca 0.02 -0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 2wkr n THR 568 Cb 0.47 0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 69.58 2wkr n THR 568 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wkr n ASN 569 N -0.64 -5.52 -4.62 3.42 3.02 0.10 -4.98 115.26 106.03 2wkr n ASN 569 Ca 0.00 0.43 -0.24 0.00 -0.03 0.00 0.00 54.58 54.73 2wkr n ASN 569 Cb 0.00 -4.54 -0.09 0.00 -0.61 0.00 0.00 39.78 34.54 2wkr n ASN 569 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wkr s ALA 570 N -2.49 3.18 -0.10 5.41 0.00 -1.26 -5.02 121.76 121.49 2wkr s ALA 570 Ca 0.00 -1.94 0.03 0.00 0.00 0.00 0.00 51.96 50.05 2wkr s ALA 570 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 2wkr s ALA 570 CO 0.00 0.09 -0.22 0.12 0.00 0.00 0.00 175.76 175.75 2wkr s PHE 571 N -2.51 2.60 0.56 0.00 5.36 -1.26 -3.26 117.98 119.47 2wkr s PHE 571 Ca 0.34 -0.90 -0.17 0.00 -0.96 0.00 0.00 56.93 55.24 2wkr s PHE 571 Cb -0.01 -1.72 -0.05 0.00 -0.34 0.00 0.00 43.02 40.90 2wkr s PHE 571 CO 0.19 -0.33 1.05 -2.14 -1.46 0.00 0.00 175.22 172.53 2wkr s PRO 572 N 0.25 3.50 0.00 10.12 0.02 -1.26 -5.04 135.00 142.59 2wkr s PRO 572 Ca -0.15 1.24 0.00 0.00 0.02 0.00 0.00 61.00 62.11 2wkr s PRO 572 Cb -0.17 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.30 2wkr s PRO 572 CO 0.07 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 2wkr n GLY 573 N -0.79 1.42 3.77 0.52 0.00 -1.26 -4.95 105.19 103.90 2wkr n GLY 573 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2wkr n GLY 573 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wkr s GLU 574 N 0.01 4.15 -0.25 1.61 2.12 -1.26 -4.96 118.70 120.11 2wkr s GLU 574 Ca 0.00 2.32 -0.29 0.00 0.36 0.00 0.00 54.97 57.36 2wkr s GLU 574 Cb 0.00 -2.94 0.00 0.00 0.26 0.00 0.00 34.13 31.45 2wkr s GLU 574 CO 0.00 -0.40 1.15 -0.47 -0.54 0.00 0.00 175.26 175.00 2wkr s TYR 575 N -1.17 3.04 -0.23 5.30 5.04 -1.26 -5.02 117.35 123.05 2wkr s TYR 575 Ca 0.53 1.17 0.02 0.00 -2.44 0.00 0.00 57.07 56.34 2wkr s TYR 575 Cb -0.42 -3.56 0.05 0.00 0.35 0.00 0.00 41.96 38.38 2wkr s TYR 575 CO 0.55 -1.10 -0.11 0.42 -1.34 0.00 0.00 175.55 173.97 2wkr s ILE 576 N 3.62 1.97 0.52 3.14 1.01 -1.26 -5.11 121.20 125.08 2wkr s ILE 576 Ca 0.49 -1.37 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 2wkr s ILE 576 Cb -0.16 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.19 2wkr s ILE 576 CO 0.14 0.07 1.08 -2.65 0.00 0.00 0.00 174.94 173.58 2wkr n PRO 577 N 4.54 1.29 -3.74 2.79 -0.02 -1.26 -4.97 135.00 133.62 2wkr n PRO 577 Ca -0.15 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.46 2wkr n PRO 577 Cb 0.44 -2.23 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 2wkr n PRO 577 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2wkr s THR 578 N -1.37 5.28 0.00 3.45 2.01 -1.26 -5.03 115.64 118.71 2wkr s THR 578 Ca 0.70 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2wkr s THR 578 Cb -0.46 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.48 2wkr s THR 578 CO 0.51 0.39 0.00 0.52 -0.69 0.00 0.00 174.62 175.35 2wkr n VAL 579 N 1.20 0.00 -4.19 3.82 0.31 -1.26 -4.06 118.33 114.16 2wkr n VAL 579 Ca -0.12 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 2wkr n VAL 579 Cb 0.53 -0.65 -0.11 0.00 -0.91 0.00 0.00 33.84 32.69 2wkr n VAL 579 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2wkr s PHE 580 N 0.00 1.21 0.21 3.52 0.40 -1.26 -2.55 117.98 119.51 2wkr s PHE 580 Ca 0.00 -0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 55.60 2wkr s PHE 580 Cb 0.00 -0.67 0.04 0.00 0.51 0.00 0.00 43.02 42.91 2wkr s PHE 580 CO 0.00 0.06 0.61 0.34 0.70 0.00 0.00 175.22 176.94 2wkr s ASP 581 N -2.06 -0.39 0.02 1.36 3.68 -0.88 -5.00 116.67 113.41 2wkr s ASP 581 Ca 0.02 -0.32 0.02 0.00 2.13 0.00 0.00 52.55 54.39 2wkr s ASP 581 Cb -0.07 0.63 -0.02 0.00 -1.45 0.00 0.00 42.92 42.01 2wkr s ASP 581 CO 0.02 -1.11 -0.06 0.20 0.13 0.00 0.00 175.17 174.35 2wkr s ASN 582 N -2.84 0.66 0.09 -0.34 0.01 -1.26 -0.40 114.94 110.86 2wkr s ASN 582 Ca 0.06 -0.39 0.03 0.00 -0.71 0.00 0.00 52.86 51.85 2wkr s ASN 582 Cb -0.03 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.61 2wkr s ASN 582 CO -0.04 -0.13 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.02 2wkr s TYR 583 N -0.98 0.98 0.06 2.20 1.51 -0.27 -4.48 117.35 116.36 2wkr s TYR 583 Ca -0.07 -0.71 0.03 0.00 -1.01 0.00 0.00 57.07 55.30 2wkr s TYR 583 Cb -0.07 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.20 2wkr s TYR 583 CO 0.00 -0.05 -0.08 -1.54 -1.11 0.00 0.00 175.55 172.77 2wkr s SER 584 N -2.55 1.07 -0.06 2.29 1.04 -1.26 -0.10 113.70 114.12 2wkr s SER 584 Ca 0.06 -0.68 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 2wkr s SER 584 Cb -0.01 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.16 2wkr s SER 584 CO -0.01 -0.25 0.18 0.00 0.98 0.00 0.00 173.24 174.14 2wkr s ALA 585 N -1.93 -0.45 -0.31 5.32 0.00 -0.31 -4.97 121.76 119.13 2wkr s ALA 585 Ca -0.03 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 2wkr s ALA 585 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 2wkr s ALA 585 CO -0.00 -0.10 0.17 -0.80 0.00 0.00 0.00 175.76 175.03 2wkr s ASN 586 N -0.04 5.71 -0.11 0.00 0.01 -1.26 -0.49 114.94 118.75 2wkr s ASN 586 Ca -0.01 -0.38 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 2wkr s ASN 586 Cb -0.02 -2.05 -0.00 0.00 0.41 0.00 0.00 41.25 39.59 2wkr s ASN 586 CO 0.00 -0.17 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.52 2wkr s VAL 587 N 1.66 2.24 -0.12 1.60 1.01 -0.01 -4.89 120.40 121.90 2wkr s VAL 587 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2wkr s VAL 587 Cb -0.17 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2wkr s VAL 587 CO 0.08 0.55 1.41 -0.04 0.00 0.00 0.00 175.10 177.10 2wkr s MET 588 N 0.42 4.22 -0.10 2.72 -1.94 -1.26 -0.84 119.30 122.51 2wkr s MET 588 Ca -0.16 1.87 0.01 0.00 -1.71 0.00 0.00 55.69 55.70 2wkr s MET 588 Cb -0.17 -3.84 0.02 0.00 2.01 0.00 0.00 34.83 32.85 2wkr s MET 588 CO 0.07 -0.75 -0.10 0.08 -0.01 0.00 0.00 175.02 174.30 2wkr s VAL 589 N 3.65 1.16 -1.62 -6.03 1.01 -0.26 -4.79 120.40 113.53 2wkr s VAL 589 Ca 0.62 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 2wkr s VAL 589 Cb -0.26 -1.12 0.10 0.00 0.00 0.00 0.00 36.38 35.10 2wkr s VAL 589 CO 0.21 0.38 0.57 0.47 0.00 0.00 0.00 175.10 176.73 2wkr n ASP 590 N 4.55 -1.83 0.00 3.32 8.00 -1.26 -1.04 116.55 128.29 2wkr n ASP 590 Ca -0.16 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.27 2wkr n ASP 590 Cb 0.51 -2.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.00 2wkr n ASP 590 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wkr n GLY 591 N -1.68 0.86 3.31 0.44 0.00 -1.26 -5.02 105.19 101.84 2wkr n GLY 591 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2wkr n GLY 591 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wkr s LYS 592 N -0.06 1.86 0.25 1.61 1.02 -0.20 -5.08 119.74 119.14 2wkr s LYS 592 Ca 0.00 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 2wkr s LYS 592 Cb 0.00 -1.92 -0.09 0.00 -0.52 0.00 0.00 37.83 35.30 2wkr s LYS 592 CO 0.00 0.51 1.23 -2.14 -0.92 0.00 0.00 175.35 174.03 2wkr s PRO 593 N -0.92 4.47 -0.02 -1.68 0.02 -1.26 -1.10 135.00 134.50 2wkr s PRO 593 Ca 0.10 2.00 0.05 0.00 0.02 0.00 0.00 61.00 63.17 2wkr s PRO 593 Cb -0.10 -3.17 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 2wkr s PRO 593 CO 0.01 -0.08 -0.16 0.08 -0.33 0.00 0.00 177.00 176.51 2wkr s VAL 594 N -0.61 1.31 -0.29 3.83 1.01 -0.02 -4.92 120.40 120.71 2wkr s VAL 594 Ca 0.50 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 2wkr s VAL 594 Cb -0.35 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 2wkr s VAL 594 CO 0.43 0.37 0.45 0.20 0.00 0.00 0.00 175.10 176.55 2wkr s ASN 595 N -0.31 6.32 -0.19 3.32 0.02 -1.26 -0.83 114.94 122.01 2wkr s ASN 595 Ca 0.05 0.25 -0.01 0.00 -1.02 0.00 0.00 52.86 52.12 2wkr s ASN 595 Cb -0.07 -2.24 0.00 0.00 0.02 0.00 0.00 41.25 38.96 2wkr s ASN 595 CO -0.00 -0.29 -0.12 -0.22 0.02 0.00 0.00 177.10 176.48 2wkr s LEU 596 N 2.21 2.55 -0.19 0.60 2.96 0.35 -0.82 118.68 126.35 2wkr s LEU 596 Ca 0.17 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.51 2wkr s LEU 596 Cb -0.16 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2wkr s LEU 596 CO 0.11 0.01 0.08 -0.83 -1.32 0.00 0.00 176.35 174.39 2wkr s GLY 597 N 1.25 1.93 -0.20 7.98 0.00 0.27 -1.16 107.32 117.40 2wkr s GLY 597 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 2wkr s GLY 597 CO -0.06 0.08 -0.11 1.08 0.00 0.00 0.00 173.10 174.09 2wkr s LEU 598 N 0.40 2.58 -0.49 0.66 1.43 0.85 -1.04 118.68 123.07 2wkr s LEU 598 Ca 0.04 -0.53 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2wkr s LEU 598 Cb -0.12 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.54 2wkr s LEU 598 CO -0.00 -0.02 0.52 0.26 0.23 0.00 0.00 176.35 177.34 2wkr s TRP 599 N 1.39 3.14 0.12 0.29 0.51 0.38 -1.12 118.94 123.65 2wkr s TRP 599 Ca 0.05 -0.68 -0.25 0.00 -2.12 0.00 0.00 56.10 53.10 2wkr s TRP 599 Cb -0.14 -3.34 -0.07 0.00 -0.81 0.00 0.00 33.47 29.11 2wkr s TRP 599 CO -0.08 -0.91 0.76 0.34 -0.51 0.00 0.00 176.95 176.55 2wkr s ASP 600 N 2.58 7.32 0.36 2.95 2.15 0.46 -1.28 116.67 131.20 2wkr s ASP 600 Ca 0.10 1.57 0.03 0.00 0.43 0.00 0.00 52.55 54.68 2wkr s ASP 600 Cb -0.21 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2wkr s ASP 600 CO 0.10 0.15 0.10 0.42 -0.17 0.00 0.00 175.17 175.78 2wkr s THR 601 N -0.81 0.77 -0.08 1.71 -4.23 -1.21 -2.07 115.64 109.72 2wkr s THR 601 Ca 0.36 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.68 2wkr s THR 601 Cb -0.22 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 2wkr s THR 601 CO 0.25 0.00 0.52 0.00 -0.54 0.00 0.00 174.62 174.84 2wkr s ALA 602 N -3.33 3.49 -0.03 3.99 0.00 -1.06 -4.76 121.76 120.06 2wkr s ALA 602 Ca 0.30 -0.12 0.13 0.00 0.00 0.00 0.00 51.96 52.28 2wkr s ALA 602 Cb 0.05 -2.67 0.08 0.00 0.00 0.00 0.00 23.12 20.59 2wkr s ALA 602 CO 0.15 0.08 1.44 0.78 0.00 0.00 0.00 175.76 178.21 2wkr h GLY 603 N 6.28 0.00 -3.40 0.00 0.00 -1.81 -3.46 103.07 100.68 2wkr h GLY 603 Ca -0.43 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.38 2wkr h GLY 603 CO 0.73 0.00 0.58 1.08 0.00 0.00 0.00 176.54 178.92 2wkr s LEU 604 N -6.63 4.25 0.43 3.11 1.43 -1.26 -3.76 118.68 116.24 2wkr s LEU 604 Ca 0.03 2.55 0.15 0.00 -1.03 0.00 0.00 54.13 55.82 2wkr s LEU 604 Cb 0.09 -3.90 0.97 0.00 0.03 0.00 0.00 46.19 43.38 2wkr s LEU 604 CO 0.76 -0.73 1.95 -0.08 0.23 0.00 0.00 176.35 178.48 2wkr h GLU 605 N 2.79 0.00 0.00 1.70 4.81 -2.00 -2.04 114.58 119.84 2wkr h GLU 605 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2wkr h GLU 605 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2wkr h GLU 605 CO 0.63 0.23 0.00 -0.25 -0.73 0.00 0.00 179.01 178.89 2wkr n ASP 606 N -4.19 0.00 -1.01 1.04 8.00 -1.26 -1.19 116.55 117.93 2wkr n ASP 606 Ca -0.02 -0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.50 2wkr n ASP 606 Cb 0.29 -0.16 0.24 0.00 -0.02 0.00 0.00 41.12 41.47 2wkr n ASP 606 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wkr n TYR 607 N -1.16 0.70 -0.11 1.24 4.01 -0.77 -4.62 117.16 116.45 2wkr n TYR 607 Ca 0.06 -0.46 0.18 0.00 -0.16 0.00 0.00 57.90 57.52 2wkr n TYR 607 Cb 0.06 -0.01 0.59 0.00 -0.31 0.00 0.00 39.34 39.67 2wkr n TYR 607 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2wkr h ASP 608 N 3.30 0.22 1.36 7.72 3.32 -1.30 -0.11 116.42 130.93 2wkr h ASP 608 Ca 0.00 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 2wkr h ASP 608 Cb 0.87 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2wkr h ASP 608 CO 0.00 0.11 -0.65 0.03 -1.72 0.00 0.00 179.24 177.01 2wkr h ARG 609 N 0.24 0.00 0.16 3.56 3.08 -1.83 -3.35 114.38 116.23 2wkr h ARG 609 Ca 0.34 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 60.05 2wkr h ARG 609 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2wkr h ARG 609 CO -0.07 0.51 -1.74 -0.07 -1.07 0.00 0.00 179.97 177.53 2wkr h LEU 610 N 0.00 0.52 -0.75 3.04 3.38 -1.52 -3.41 115.31 116.57 2wkr h LEU 610 Ca -0.02 -0.92 0.17 0.00 0.09 0.00 0.00 57.88 57.20 2wkr h LEU 610 Cb 1.44 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 2wkr h LEU 610 CO 0.07 1.77 0.06 -0.09 0.09 0.00 0.00 178.44 180.34 2wkr h ARG 611 N 0.00 0.14 0.00 1.13 2.43 -1.21 -0.78 114.38 116.09 2wkr h ARG 611 Ca -0.36 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2wkr h ARG 611 Cb 2.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.53 2wkr h ARG 611 CO 0.13 0.09 0.00 -2.30 -1.51 0.00 0.00 179.97 176.38 2wkr n PRO 612 N -5.29 0.03 0.32 0.20 -0.02 -1.26 -1.38 135.00 127.60 2wkr n PRO 612 Ca 0.14 0.34 0.20 0.00 -2.02 0.00 0.00 63.50 62.17 2wkr n PRO 612 Cb 0.48 -1.50 1.09 0.00 -0.02 0.00 0.00 33.50 33.55 2wkr n PRO 612 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wkr h LEU 613 N 0.00 0.00 0.00 2.45 3.38 -1.43 -1.45 115.31 118.26 2wkr h LEU 613 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wkr h LEU 613 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2wkr h LEU 613 CO 0.00 0.01 -0.24 -1.54 0.09 0.00 0.00 178.44 176.76 2wkr n SER 614 N -3.27 0.56 0.08 -0.43 3.41 -0.48 -4.53 113.62 108.96 2wkr n SER 614 Ca -0.03 0.33 -0.22 0.00 -0.26 0.00 0.00 58.87 58.70 2wkr n SER 614 Cb 0.10 -0.34 -0.13 0.00 -0.26 0.00 0.00 64.21 63.59 2wkr n SER 614 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 2wkr h TYR 615 N 0.00 0.99 -2.69 7.33 0.05 -1.45 -3.45 116.97 117.75 2wkr h TYR 615 Ca 0.00 -0.61 -0.59 0.00 0.05 0.00 0.00 58.73 57.58 2wkr h TYR 615 Cb 0.66 -0.09 0.10 0.00 1.01 0.00 0.00 36.73 38.41 2wkr h TYR 615 CO 0.00 1.45 0.36 -2.30 -1.05 0.00 0.00 178.16 176.61 2wkr n PRO 616 N -3.84 1.70 -1.28 4.88 -0.02 -1.26 -1.87 135.00 133.30 2wkr n PRO 616 Ca -0.13 0.60 -0.10 0.00 -2.02 0.00 0.00 63.50 61.85 2wkr n PRO 616 Cb 0.95 -2.10 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 2wkr n PRO 616 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wkr n GLN 617 N 1.07 -0.94 -2.22 -0.52 1.13 -1.26 -4.97 117.38 109.67 2wkr n GLN 617 Ca 0.09 0.80 -0.41 0.00 -1.94 0.00 0.00 57.00 55.54 2wkr n GLN 617 Cb 0.32 -4.80 -0.03 0.00 0.11 0.00 0.00 30.24 25.85 2wkr n GLN 617 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2wkr s THR 618 N -2.23 3.04 -0.11 5.09 2.01 -0.78 -4.79 115.64 117.86 2wkr s THR 618 Ca 0.00 0.97 -0.08 0.00 0.31 0.00 0.00 61.69 62.89 2wkr s THR 618 Cb 0.00 -3.62 -0.27 0.00 0.01 0.00 0.00 72.50 68.62 2wkr s THR 618 CO 0.00 0.20 0.41 0.44 -0.69 0.00 0.00 174.62 174.98 2wkr h ASP 619 N 4.17 0.43 -3.75 3.53 3.32 -1.34 -3.47 116.42 119.31 2wkr h ASP 619 Ca -0.47 -0.94 -0.10 0.00 0.02 0.00 0.00 57.03 55.53 2wkr h ASP 619 Cb 1.22 -0.14 -0.24 0.00 0.22 0.00 0.00 39.33 40.39 2wkr h ASP 619 CO 0.70 1.84 -0.18 0.54 -1.72 0.00 0.00 179.24 180.42 2wkr s VAL 620 N -2.55 -0.00 -0.11 -1.35 0.11 -1.01 -4.15 120.40 111.33 2wkr s VAL 620 Ca -0.22 0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.79 2wkr s VAL 620 Cb 0.06 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2wkr s VAL 620 CO 0.78 0.01 0.11 -0.36 -3.33 0.00 0.00 175.10 172.30 2wkr s PHE 621 N 0.50 3.50 -0.38 1.54 0.08 -0.54 -1.98 117.98 120.71 2wkr s PHE 621 Ca -0.02 0.45 -0.12 0.00 0.12 0.00 0.00 56.93 57.36 2wkr s PHE 621 Cb -0.04 -1.90 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2wkr s PHE 621 CO -0.03 0.68 0.24 -0.51 -0.10 0.00 0.00 175.22 175.50 2wkr s LEU 622 N -1.04 4.78 -0.28 -0.37 1.43 0.11 -0.67 118.68 122.64 2wkr s LEU 622 Ca 0.15 -0.86 -0.16 0.00 -1.03 0.00 0.00 54.13 52.23 2wkr s LEU 622 Cb -0.12 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2wkr s LEU 622 CO 0.04 -0.38 0.44 -0.63 0.23 0.00 0.00 176.35 176.05 2wkr s ILE 623 N 1.62 5.12 0.03 -0.59 1.01 -0.37 -1.08 121.20 126.94 2wkr s ILE 623 Ca 0.04 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.34 2wkr s ILE 623 Cb -0.19 -3.78 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2wkr s ILE 623 CO 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 174.94 174.98 2wkr s PHE 625 N -0.99 0.06 -0.05 0.00 -0.71 -0.55 -4.15 117.98 111.59 2wkr s PHE 625 Ca 0.17 -0.23 -0.26 0.00 -1.04 0.00 0.00 56.93 55.56 2wkr s PHE 625 Cb -0.11 -0.05 -0.03 0.00 -1.21 0.00 0.00 43.02 41.62 2wkr s PHE 625 CO 0.07 -0.37 0.81 0.45 -1.34 0.00 0.00 175.22 174.85 2wkr s SER 626 N -1.80 7.13 0.19 1.98 0.15 -1.26 -0.43 113.70 119.65 2wkr s SER 626 Ca -0.09 1.36 0.15 0.00 0.70 0.00 0.00 55.95 58.07 2wkr s SER 626 Cb -0.04 -2.47 0.75 0.00 -1.71 0.00 0.00 66.02 62.55 2wkr s SER 626 CO -0.02 -0.19 1.45 0.18 1.20 0.00 0.00 173.24 175.87 2wkr n LEU 627 N 3.91 0.36 -0.31 3.45 4.77 -0.40 -1.61 117.00 127.18 2wkr n LEU 627 Ca 0.02 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.74 2wkr n LEU 627 Cb 0.51 -0.67 0.16 0.00 -2.33 0.00 0.00 43.42 41.09 2wkr n LEU 627 CO 0.49 -0.71 0.60 1.33 -1.33 0.00 0.00 177.39 177.77 2wkr n VAL 628 N -1.97 1.92 -3.73 4.08 0.24 -1.26 -0.25 118.33 117.35 2wkr n VAL 628 Ca -0.00 -2.04 -0.30 0.00 -2.04 0.00 0.00 64.34 59.96 2wkr n VAL 628 Cb 0.06 -0.17 -0.15 0.00 -1.47 0.00 0.00 33.84 32.11 2wkr n VAL 628 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wkr s SER 629 N -2.44 3.96 0.52 -1.34 0.15 -0.63 -4.95 113.70 108.96 2wkr s SER 629 Ca 0.32 -1.82 0.16 0.00 0.70 0.00 0.00 55.95 55.32 2wkr s SER 629 Cb 0.27 -0.89 1.26 0.00 -1.71 0.00 0.00 66.02 64.95 2wkr s SER 629 CO 0.05 -0.39 2.14 -0.65 1.20 0.00 0.00 173.24 175.59 2wkr h PRO 630 N 7.83 0.00 -0.49 5.44 0.11 -1.87 -2.05 132.00 140.97 2wkr h PRO 630 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2wkr h PRO 630 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 2wkr h PRO 630 CO 0.47 0.01 0.25 0.00 -0.21 0.00 0.00 178.00 178.51 2wkr h ALA 631 N 1.99 0.63 -0.21 -0.75 0.00 -1.94 -0.78 119.26 118.20 2wkr h ALA 631 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wkr h ALA 631 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wkr h ALA 631 CO 0.00 0.18 0.05 0.66 0.00 0.00 0.00 179.25 180.14 2wkr h SER 632 N 0.65 0.26 0.01 0.00 4.64 -1.72 -1.48 113.55 115.91 2wkr h SER 632 Ca 0.17 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2wkr h SER 632 Cb 0.10 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2wkr h SER 632 CO -0.02 0.27 -0.01 0.15 -0.87 0.00 0.00 176.83 176.35 2wkr h PHE 633 N 0.29 -0.02 -0.09 4.77 3.57 -0.97 -3.00 116.94 121.49 2wkr h PHE 633 Ca 0.07 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2wkr h PHE 633 Cb 0.12 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2wkr h PHE 633 CO 0.00 0.43 -0.16 0.45 -2.23 0.00 0.00 178.31 176.80 2wkr h HIS 634 N -0.47 0.14 0.00 0.41 3.86 -0.93 -1.83 115.15 116.33 2wkr h HIS 634 Ca -0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2wkr h HIS 634 Cb 0.45 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 2wkr h HIS 634 CO 0.08 0.30 -0.04 0.45 0.86 0.00 0.00 177.93 179.58 2wkr h HIS 635 N 0.13 0.00 -0.06 2.45 3.86 -1.16 -1.56 115.15 118.80 2wkr h HIS 635 Ca 0.03 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2wkr h HIS 635 Cb 0.37 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 2wkr h HIS 635 CO 0.00 0.04 -0.22 0.28 0.86 0.00 0.00 177.93 178.89 2wkr h VAL 636 N 0.00 0.47 -0.26 2.45 2.07 -1.19 0.31 116.25 120.09 2wkr h VAL 636 Ca -0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 2wkr h VAL 636 Cb 0.18 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wkr h VAL 636 CO 0.01 0.00 -0.28 -0.09 0.02 0.00 0.00 177.57 177.22 2wkr h ARG 637 N -0.32 0.64 0.06 1.57 9.65 -1.49 -1.17 114.38 123.32 2wkr h ARG 637 Ca 0.08 -0.35 -0.25 0.00 -1.10 0.00 0.00 59.98 58.36 2wkr h ARG 637 Cb 0.43 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.01 2wkr h ARG 637 CO -0.25 0.96 -1.19 0.00 2.80 0.00 0.00 179.97 182.29 2wkr h ALA 638 N 0.68 0.28 0.00 2.80 0.00 -1.14 -3.40 119.26 118.47 2wkr h ALA 638 Ca 0.04 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2wkr h ALA 638 Cb 0.85 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2wkr h ALA 638 CO 0.07 1.16 0.00 1.17 0.00 0.00 0.00 179.25 181.65 2wkr n LYS 639 N -3.41 0.00 -0.07 0.00 3.00 1.00 -4.76 118.16 113.92 2wkr n LYS 639 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.14 2wkr n LYS 639 Cb 0.99 -0.26 -0.04 0.00 0.00 0.00 0.00 35.03 35.72 2wkr n LYS 639 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.40 175.91 2wkr h TRP 640 N 0.00 0.36 0.16 5.64 4.06 -1.37 -1.25 115.95 123.55 2wkr h TRP 640 Ca 0.00 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 2wkr h TRP 640 Cb 0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 29.16 28.06 2wkr h TRP 640 CO 0.00 0.43 -0.10 -0.92 -3.56 0.00 0.00 178.44 174.29 2wkr h TYR 641 N 0.18 -0.25 -0.71 0.49 3.20 -1.44 -0.64 116.97 117.80 2wkr h TYR 641 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2wkr h TYR 641 Cb 0.24 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 2wkr h TYR 641 CO 0.00 -0.15 0.46 -1.35 -1.64 0.00 0.00 178.16 175.48 2wkr h PRO 642 N -0.25 0.93 -0.48 1.82 0.11 -1.76 -1.37 132.00 131.01 2wkr h PRO 642 Ca -0.02 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 2wkr h PRO 642 Cb 0.21 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 2wkr h PRO 642 CO 0.02 0.63 0.30 1.49 -0.21 0.00 0.00 178.00 180.22 2wkr h GLU 643 N 0.96 0.64 -0.06 1.05 4.81 -0.95 0.06 114.58 121.10 2wkr h GLU 643 Ca 0.26 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2wkr h GLU 643 Cb -0.10 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2wkr h GLU 643 CO -0.05 0.46 0.02 0.28 -0.73 0.00 0.00 179.01 178.98 2wkr h VAL 644 N 0.64 1.15 -0.33 0.32 2.07 -0.95 -2.98 116.25 116.16 2wkr h VAL 644 Ca 0.17 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2wkr h VAL 644 Cb -0.03 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2wkr h VAL 644 CO -0.03 0.12 0.02 0.03 0.02 0.00 0.00 177.57 177.72 2wkr h ARG 645 N -0.08 0.51 -0.97 1.57 2.47 -1.10 0.22 114.38 117.00 2wkr h ARG 645 Ca 0.02 -0.10 0.07 0.00 -1.26 0.00 0.00 59.98 58.71 2wkr h ARG 645 Cb 0.18 -0.08 -0.07 0.00 -1.65 0.00 0.00 29.97 28.35 2wkr h ARG 645 CO -0.00 0.52 0.63 1.25 0.56 0.00 0.00 179.97 182.93 2wkr h HIS 646 N 0.49 1.15 0.02 3.04 2.76 -0.83 -2.76 115.15 119.02 2wkr h HIS 646 Ca 0.11 0.03 -0.34 0.00 -2.20 0.00 0.00 60.37 57.96 2wkr h HIS 646 Cb 0.30 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 2wkr h HIS 646 CO 0.01 0.59 -2.09 0.72 -1.30 0.00 0.00 177.93 175.86 2wkr n HIS 647 N -4.50 0.59 -3.48 5.26 8.25 -0.98 -4.74 115.22 115.63 2wkr n HIS 647 Ca 0.15 0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.53 2wkr n HIS 647 Cb 0.20 -1.10 -0.09 0.00 1.12 0.00 0.00 29.99 30.12 2wkr n HIS 647 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wkr h PRO 649 N 4.86 0.30 -0.01 0.00 0.11 -1.70 -2.93 132.00 132.62 2wkr h PRO 649 Ca 0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2wkr h PRO 649 Cb 0.81 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2wkr h PRO 649 CO 0.58 0.20 -0.12 0.09 -0.21 0.00 0.00 178.00 178.53 2wkr n ASN 650 N -4.45 1.68 -4.72 -2.05 5.03 -1.26 -4.97 115.26 104.51 2wkr n ASN 650 Ca 0.12 -1.34 -0.42 0.00 0.87 0.00 0.00 54.58 53.81 2wkr n ASN 650 Cb 0.50 0.24 -0.03 0.00 -1.02 0.00 0.00 39.78 39.47 2wkr n ASN 650 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2wkr s THR 651 N -1.28 4.14 0.47 3.41 2.01 -1.11 -4.99 115.64 118.29 2wkr s THR 651 Ca 0.12 1.66 -0.24 0.00 0.31 0.00 0.00 61.69 63.54 2wkr s THR 651 Cb 0.10 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 2wkr s THR 651 CO 0.23 0.20 1.33 -2.84 -0.69 0.00 0.00 174.62 172.85 2wkr s PRO 652 N 0.41 3.58 -0.10 4.92 0.02 -1.26 -4.85 135.00 137.72 2wkr s PRO 652 Ca 0.53 2.18 0.04 0.00 0.02 0.00 0.00 61.00 63.77 2wkr s PRO 652 Cb -0.28 -2.51 0.00 0.00 0.02 0.00 0.00 34.50 31.74 2wkr s PRO 652 CO 0.31 -0.82 -0.24 0.42 -0.33 0.00 0.00 177.00 176.35 2wkr s ILE 653 N -1.31 2.07 -0.21 2.83 1.01 -1.26 -1.47 121.20 122.87 2wkr s ILE 653 Ca 0.64 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2wkr s ILE 653 Cb -0.39 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2wkr s ILE 653 CO 0.48 0.56 0.03 -0.63 0.00 0.00 0.00 174.94 175.38 2wkr s ILE 654 N 0.37 4.25 -0.16 2.92 1.01 0.15 -0.87 121.20 128.88 2wkr s ILE 654 Ca -0.18 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 2wkr s ILE 654 Cb -0.18 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2wkr s ILE 654 CO 0.08 0.42 0.76 -0.22 0.00 0.00 0.00 174.94 175.98 2wkr s LEU 655 N 0.96 4.18 -0.16 2.97 2.96 -0.37 -1.23 118.68 127.98 2wkr s LEU 655 Ca 0.03 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.03 2wkr s LEU 655 Cb -0.14 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.45 2wkr s LEU 655 CO 0.02 -0.33 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.83 2wkr s VAL 656 N 1.91 2.11 -0.22 1.68 1.01 0.38 -1.27 120.40 126.00 2wkr s VAL 656 Ca 0.35 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 2wkr s VAL 656 Cb -0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2wkr s VAL 656 CO 0.13 0.54 0.49 -0.83 0.00 0.00 0.00 175.10 175.42 2wkr s GLY 657 N 1.10 2.01 0.39 4.51 0.00 0.27 -1.49 107.32 114.10 2wkr s GLY 657 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 44.72 44.30 2wkr s GLY 657 CO -0.08 1.06 0.43 -0.51 0.00 0.00 0.00 173.10 174.00 2wkr s THR 658 N 1.76 3.11 -1.34 0.90 -4.23 0.43 -1.25 115.64 115.03 2wkr s THR 658 Ca 0.22 -1.21 -0.07 0.00 -1.18 0.00 0.00 61.69 59.45 2wkr s THR 658 Cb -0.15 -3.09 0.02 0.00 1.34 0.00 0.00 72.50 70.61 2wkr s THR 658 CO 0.09 -0.06 1.09 0.29 -0.54 0.00 0.00 174.62 175.49 2wkr n LYS 659 N -1.61 -7.16 -0.14 3.99 5.02 -1.02 -1.27 118.16 115.97 2wkr n LYS 659 Ca 0.03 0.79 0.16 0.00 -2.02 0.00 0.00 58.31 57.28 2wkr n LYS 659 Cb 0.60 -5.79 0.53 0.00 -0.02 0.00 0.00 35.03 30.35 2wkr n LYS 659 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2wkr h LEU 660 N -2.38 0.34 -2.10 -0.35 5.85 -1.48 -1.34 115.31 113.85 2wkr h LEU 660 Ca -0.58 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wkr h LEU 660 Cb 1.36 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2wkr h LEU 660 CO 0.56 0.18 -0.05 -2.24 -0.34 0.00 0.00 178.44 176.54 2wkr h ASP 661 N 0.36 0.00 1.01 1.25 2.03 -1.89 -2.36 116.42 116.81 2wkr h ASP 661 Ca 0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.65 2wkr h ASP 661 Cb 0.87 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.37 2wkr h ASP 661 CO -0.10 0.05 -0.59 -0.07 -1.03 0.00 0.00 179.24 177.50 2wkr h LEU 662 N 0.00 0.00 -1.74 0.15 3.38 -1.61 -3.33 115.31 112.16 2wkr h LEU 662 Ca -0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 2wkr h LEU 662 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wkr h LEU 662 CO 0.01 0.07 0.05 -0.09 0.09 0.00 0.00 178.44 178.57 2wkr h ARG 663 N 0.00 0.21 -0.27 1.13 2.43 -1.49 -1.54 114.38 114.84 2wkr h ARG 663 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2wkr h ARG 663 Cb 0.80 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2wkr h ARG 663 CO 0.00 0.19 0.00 -0.25 -1.51 0.00 0.00 179.97 178.40 2wkr n ASP 664 N -4.46 2.88 -4.69 -3.80 8.00 -1.26 -4.84 116.55 108.38 2wkr n ASP 664 Ca -0.01 -1.85 -0.42 0.00 0.71 0.00 0.00 54.79 53.23 2wkr n ASP 664 Cb 0.12 -0.18 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 2wkr n ASP 664 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wkr s ASP 665 N -1.18 6.80 0.11 -2.24 2.15 -0.58 -4.95 116.67 116.78 2wkr s ASP 665 Ca 0.27 2.21 -0.32 0.00 0.43 0.00 0.00 52.55 55.14 2wkr s ASP 665 Cb 0.16 -2.56 -0.12 0.00 -0.30 0.00 0.00 42.92 40.10 2wkr s ASP 665 CO 0.22 -0.75 1.58 0.50 -0.17 0.00 0.00 175.17 176.55 2wkr h LYS 666 N 7.83 -0.67 -0.51 4.34 3.64 -1.93 -1.25 116.57 128.02 2wkr h LYS 666 Ca -0.39 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2wkr h LYS 666 Cb 1.19 0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 2wkr h LYS 666 CO 0.90 -0.45 0.32 -0.44 -2.27 0.00 0.00 179.45 177.51 2wkr h ASP 667 N -0.70 0.59 -0.20 4.20 3.32 -1.95 -1.60 116.42 120.08 2wkr h ASP 667 Ca 0.01 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 2wkr h ASP 667 Cb 0.72 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 2wkr h ASP 667 CO -0.26 0.45 -0.27 0.74 -1.72 0.00 0.00 179.24 178.18 2wkr h THR 668 N 0.69 1.33 -0.85 0.35 2.02 -1.78 -1.04 112.91 113.63 2wkr h THR 668 Ca 0.18 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.93 2wkr h THR 668 Cb -0.04 1.80 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 2wkr h THR 668 CO -0.04 0.45 0.55 0.40 0.37 0.00 0.00 175.52 177.26 2wkr h ILE 669 N 0.21 1.16 -0.25 3.11 2.04 -0.88 -0.53 117.51 122.38 2wkr h ILE 669 Ca 0.02 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2wkr h ILE 669 Cb 0.84 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2wkr h ILE 669 CO 0.06 0.20 0.10 -0.08 0.00 0.00 0.00 178.15 178.43 2wkr h GLU 670 N 1.09 0.37 -0.61 2.37 4.57 -1.19 0.73 114.58 121.91 2wkr h GLU 670 Ca 0.33 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2wkr h GLU 670 Cb -0.03 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 2wkr h GLU 670 CO -0.10 0.40 0.39 0.87 -1.18 0.00 0.00 179.01 179.39 2wkr h LYS 671 N 0.25 0.81 -0.76 1.92 1.57 -0.77 0.06 116.57 119.64 2wkr h LYS 671 Ca 0.08 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2wkr h LYS 671 Cb 0.17 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2wkr h LYS 671 CO -0.01 0.55 0.42 -0.07 -0.57 0.00 0.00 179.45 179.77 2wkr h LEU 672 N 0.82 0.95 -0.42 2.94 3.38 -0.98 -2.56 115.31 119.44 2wkr h LEU 672 Ca 0.22 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2wkr h LEU 672 Cb -0.07 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 2wkr h LEU 672 CO -0.05 0.78 0.15 0.50 0.09 0.00 0.00 178.44 179.91 2wkr h LYS 673 N 1.05 0.30 -0.02 1.13 3.64 0.03 0.13 116.57 122.84 2wkr h LYS 673 Ca 0.27 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 2wkr h LYS 673 Cb 0.04 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2wkr h LYS 673 CO -0.04 0.20 0.04 0.93 -2.27 0.00 0.00 179.45 178.30 2wkr h GLU 674 N 0.31 0.00 -0.21 1.90 5.08 -0.65 0.17 114.58 121.18 2wkr h GLU 674 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2wkr h GLU 674 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wkr h GLU 674 CO -0.20 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.44 2wkr n LYS 675 N -3.52 2.02 -2.52 2.33 5.02 0.11 -4.93 118.16 116.68 2wkr n LYS 675 Ca -0.02 -1.53 -0.14 0.00 -2.02 0.00 0.00 58.31 54.59 2wkr n LYS 675 Cb 0.12 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 33.69 2wkr n LYS 675 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2wkr n LYS 676 N 0.77 -2.20 -4.45 1.97 5.02 0.60 -5.01 118.16 114.84 2wkr n LYS 676 Ca 0.17 0.64 -0.22 0.00 -2.02 0.00 0.00 58.31 56.89 2wkr n LYS 676 Cb 0.44 -4.90 -0.10 0.00 -0.02 0.00 0.00 35.03 30.45 2wkr n LYS 676 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wkr s LEU 677 N -4.31 2.39 0.08 -0.35 1.43 0.21 -5.00 118.68 113.13 2wkr s LEU 677 Ca 0.10 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.93 2wkr s LEU 677 Cb -0.04 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.59 2wkr s LEU 677 CO 0.13 -0.46 -0.06 0.28 0.23 0.00 0.00 176.35 176.46 2wkr s THR 678 N -3.11 0.56 0.80 5.49 -1.32 -1.26 -3.23 115.64 113.57 2wkr s THR 678 Ca 0.33 -1.69 -0.13 0.00 -1.21 0.00 0.00 61.69 58.98 2wkr s THR 678 Cb 0.06 -1.37 0.08 0.00 -1.51 0.00 0.00 72.50 69.76 2wkr s THR 678 CO 0.14 -0.77 1.19 -2.84 -2.21 0.00 0.00 174.62 170.12 2wkr s PRO 679 N -3.28 1.68 0.05 7.08 0.02 -1.26 -4.80 135.00 134.49 2wkr s PRO 679 Ca 0.05 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 62.47 2wkr s PRO 679 Cb 0.02 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.69 2wkr s PRO 679 CO -0.04 -2.17 1.35 0.42 -0.33 0.00 0.00 177.00 176.23 2wkr s ILE 680 N -2.22 3.65 0.39 2.83 -1.09 0.65 -5.02 121.20 120.39 2wkr s ILE 680 Ca 0.72 1.13 -0.08 0.00 -2.23 0.00 0.00 60.65 60.18 2wkr s ILE 680 Cb -0.27 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.83 2wkr s ILE 680 CO 0.51 0.05 0.72 0.42 -1.23 0.00 0.00 174.94 175.40 2wkr s THR 681 N 1.68 4.87 0.17 2.92 -4.23 -1.26 -4.92 115.64 114.87 2wkr s THR 681 Ca 0.63 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 61.31 2wkr s THR 681 Cb -0.33 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 69.82 2wkr s THR 681 CO 0.28 -0.54 1.62 0.22 -0.54 0.00 0.00 174.62 175.66 2wkr h TYR 682 N 1.15 -0.71 -0.66 3.99 5.03 -1.99 0.45 116.97 124.23 2wkr h TYR 682 Ca -0.47 0.05 0.11 0.00 2.58 0.00 0.00 58.73 61.00 2wkr h TYR 682 Cb 1.19 0.37 -0.04 0.00 1.55 0.00 0.00 36.73 39.80 2wkr h TYR 682 CO 0.59 -0.34 0.44 -1.35 -1.32 0.00 0.00 178.16 176.19 2wkr h PRO 683 N -0.21 0.42 -0.33 1.82 0.11 -1.98 0.23 132.00 132.06 2wkr h PRO 683 Ca 0.18 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 2wkr h PRO 683 Cb 0.49 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2wkr h PRO 683 CO -0.49 0.28 -0.24 1.96 -0.21 0.00 0.00 178.00 179.30 2wkr h GLN 684 N 0.44 0.75 -0.26 1.05 4.20 -1.43 -1.26 115.11 118.59 2wkr h GLN 684 Ca 0.31 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2wkr h GLN 684 Cb 0.62 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2wkr h GLN 684 CO -0.09 0.98 0.07 0.78 -0.67 0.00 0.00 178.83 179.90 2wkr h GLY 685 N 0.52 0.43 0.52 3.46 0.00 0.01 -1.62 103.07 106.39 2wkr h GLY 685 Ca 0.06 -0.26 0.08 0.00 0.00 0.00 0.00 47.33 47.22 2wkr h GLY 685 CO 0.06 0.25 0.35 -2.00 0.00 0.00 0.00 176.54 175.20 2wkr h LEU 686 N 0.25 0.47 -0.64 3.11 5.85 -0.57 0.54 115.31 124.31 2wkr h LEU 686 Ca 0.08 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 2wkr h LEU 686 Cb 0.26 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2wkr h LEU 686 CO -0.00 0.28 0.10 0.00 -0.34 0.00 0.00 178.44 178.48 2wkr h ALA 687 N 1.41 0.85 -0.36 1.25 0.00 -1.00 -0.22 119.26 121.18 2wkr h ALA 687 Ca 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wkr h ALA 687 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wkr h ALA 687 CO -0.25 0.62 0.21 1.98 0.00 0.00 0.00 179.25 181.81 2wkr h MET 688 N 0.98 0.50 -0.40 0.00 1.85 -0.74 -0.78 114.93 116.34 2wkr h MET 688 Ca 0.19 -0.05 0.07 0.00 -0.61 0.00 0.00 59.70 59.30 2wkr h MET 688 Cb 0.44 -0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.31 2wkr h MET 688 CO 0.01 0.39 0.02 0.00 -0.40 0.00 0.00 176.91 176.94 2wkr h ALA 689 N 1.08 0.38 -0.86 0.39 0.00 -0.39 -1.52 119.26 118.34 2wkr h ALA 689 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2wkr h ALA 689 Cb 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2wkr h ALA 689 CO -0.02 -0.38 0.45 -0.22 0.00 0.00 0.00 179.25 179.08 2wkr h LYS 690 N 0.13 1.21 -0.53 0.00 3.64 -0.84 -0.69 116.57 119.49 2wkr h LYS 690 Ca 0.19 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2wkr h LYS 690 Cb 0.27 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2wkr h LYS 690 CO -0.31 0.90 0.21 1.49 -2.27 0.00 0.00 179.45 179.47 2wkr h GLU 691 N 1.20 0.76 -0.35 1.90 4.81 -0.19 -2.44 114.58 120.27 2wkr h GLU 691 Ca 0.30 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2wkr h GLU 691 Cb 0.06 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2wkr h GLU 691 CO -0.04 0.63 0.00 0.44 -0.73 0.00 0.00 179.01 179.30 2wkr n ILE 692 N -4.34 0.45 -2.09 2.32 -5.35 -0.69 -4.95 119.36 104.71 2wkr n ILE 692 Ca 0.04 -0.65 -0.11 0.00 -0.27 0.00 0.00 62.75 61.76 2wkr n ILE 692 Cb 0.16 0.80 -0.01 0.00 -1.74 0.00 0.00 39.64 38.85 2wkr n ILE 692 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wkr n GLY 693 N 1.41 0.08 3.77 3.28 0.00 -0.81 -4.99 105.19 107.93 2wkr n GLY 693 Ca 0.19 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 2wkr n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wkr s ALA 694 N -2.52 3.34 -0.55 4.61 0.00 -0.33 -4.75 121.76 121.56 2wkr s ALA 694 Ca 0.00 1.14 0.26 0.00 0.00 0.00 0.00 51.96 53.36 2wkr s ALA 694 Cb 0.00 -3.44 0.83 0.00 0.00 0.00 0.00 23.12 20.51 2wkr s ALA 694 CO 0.00 -0.60 1.75 -0.39 0.00 0.00 0.00 175.76 176.52 2wkr h VAL 695 N 2.73 0.00 -2.46 0.00 -1.51 -1.33 -3.44 116.25 110.24 2wkr h VAL 695 Ca -0.49 -0.50 -0.09 0.00 -1.23 0.00 0.00 66.70 64.39 2wkr h VAL 695 Cb 1.23 1.44 -0.22 0.00 -2.13 0.00 0.00 31.29 31.61 2wkr h VAL 695 CO 0.64 0.00 -0.08 -0.54 -1.23 0.00 0.00 177.57 176.36 2wkr s LYS 696 N -3.22 0.67 -0.18 5.19 -0.14 -1.26 -5.06 119.74 115.74 2wkr s LYS 696 Ca 0.08 0.60 -0.05 0.00 -1.36 0.00 0.00 55.97 55.24 2wkr s LYS 696 Cb 0.10 0.32 -0.03 0.00 -1.68 0.00 0.00 37.83 36.55 2wkr s LYS 696 CO 0.55 -0.11 -0.01 -0.47 -0.76 0.00 0.00 175.35 174.55 2wkr s TYR 697 N -0.02 3.05 -0.01 3.18 5.04 -1.26 -1.24 117.35 126.10 2wkr s TYR 697 Ca -0.02 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2wkr s TYR 697 Cb -0.03 -2.03 0.01 0.00 0.35 0.00 0.00 41.96 40.25 2wkr s TYR 697 CO 0.02 -0.11 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.60 2wkr s LEU 698 N 0.66 1.77 0.11 6.97 1.43 -0.39 -5.01 118.68 124.23 2wkr s LEU 698 Ca -0.01 -0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 2wkr s LEU 698 Cb -0.14 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.94 2wkr s LEU 698 CO 0.02 -0.02 -0.13 -1.61 0.23 0.00 0.00 176.35 174.84 2wkr s GLU 699 N 0.24 1.98 0.19 1.70 2.02 -1.26 -0.57 118.70 123.01 2wkr s GLU 699 Ca -0.02 -1.10 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 2wkr s GLU 699 Cb -0.04 -2.22 0.05 0.00 0.10 0.00 0.00 34.13 32.02 2wkr s GLU 699 CO -0.01 0.49 0.78 0.00 0.02 0.00 0.00 175.26 176.54 2wkr s SER 701 N -2.85 2.05 0.36 0.00 0.15 -0.19 -1.37 113.70 111.85 2wkr s SER 701 Ca 0.09 -0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.50 2wkr s SER 701 Cb -0.03 -0.79 0.68 0.00 -1.71 0.00 0.00 66.02 64.17 2wkr s SER 701 CO 0.00 -0.11 1.99 0.00 1.20 0.00 0.00 173.24 176.32 2wkr h ALA 702 N 8.05 1.54 0.03 5.45 0.00 -1.90 0.31 119.26 132.74 2wkr h ALA 702 Ca -0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wkr h ALA 702 Cb 1.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wkr h ALA 702 CO 0.40 0.39 -0.01 1.25 0.00 0.00 0.00 179.25 181.27 2wkr h LEU 703 N 0.70 -0.03 0.00 0.00 5.85 -1.94 -3.27 115.31 116.61 2wkr h LEU 703 Ca 0.18 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2wkr h LEU 703 Cb 0.02 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2wkr h LEU 703 CO -0.03 0.44 -0.97 0.35 -0.34 0.00 0.00 178.44 177.89 2wkr n THR 704 N -4.88 0.38 -0.98 1.05 -2.24 -1.23 -4.96 114.28 101.42 2wkr n THR 704 Ca -0.08 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2wkr n THR 704 Cb 0.24 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 2wkr n THR 704 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wkr n GLN 705 N -2.29 -0.15 -1.83 -0.78 6.02 0.11 -4.99 117.38 113.47 2wkr n GLN 705 Ca 0.01 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2wkr n GLN 705 Cb 0.49 -3.05 -0.03 0.00 1.02 0.00 0.00 30.24 28.66 2wkr n GLN 705 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2wkr s ARG 706 N -0.19 4.17 0.00 -1.09 3.52 -1.18 -1.34 118.95 122.84 2wkr s ARG 706 Ca 0.00 2.47 0.00 0.00 -0.13 0.00 0.00 55.73 58.07 2wkr s ARG 706 Cb 0.00 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 2wkr s ARG 706 CO 0.00 -0.72 0.00 0.41 -0.81 0.00 0.00 175.30 174.18 2wkr n GLY 707 N 3.97 0.32 0.14 8.12 0.00 -1.26 -1.02 105.19 115.47 2wkr n GLY 707 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2wkr n GLY 707 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wkr h LEU 708 N 0.00 -0.21 -1.22 0.99 5.85 -1.49 -3.05 115.31 116.17 2wkr h LEU 708 Ca 0.00 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.49 2wkr h LEU 708 Cb 0.33 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 2wkr h LEU 708 CO 0.00 0.25 0.56 0.11 -0.34 0.00 0.00 178.44 179.02 2wkr h LYS 709 N -0.75 0.90 -0.38 1.25 1.57 -1.91 -2.29 116.57 114.95 2wkr h LYS 709 Ca -0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2wkr h LYS 709 Cb 0.51 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2wkr h LYS 709 CO 0.04 0.59 0.10 1.15 -0.57 0.00 0.00 179.45 180.77 2wkr h THR 710 N 0.92 1.17 -0.19 -0.16 2.02 -1.94 -1.27 112.91 113.47 2wkr h THR 710 Ca 0.38 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 67.01 2wkr h THR 710 Cb 0.27 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2wkr h THR 710 CO -0.14 0.22 -0.07 0.58 0.37 0.00 0.00 175.52 176.48 2wkr h VAL 711 N 0.55 0.77 0.00 3.16 2.07 -1.30 0.09 116.25 121.58 2wkr h VAL 711 Ca 0.13 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.45 2wkr h VAL 711 Cb 0.19 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2wkr h VAL 711 CO -0.01 0.00 -0.96 -0.26 0.02 0.00 0.00 177.57 176.36 2wkr h PHE 712 N -0.03 0.00 -0.33 1.57 0.04 -1.52 -1.02 116.94 115.65 2wkr h PHE 712 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2wkr h PHE 712 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2wkr h PHE 712 CO -0.23 0.95 0.15 0.22 -0.60 0.00 0.00 178.31 178.81 2wkr h ASP 713 N 0.00 0.44 -0.01 2.17 3.58 -1.14 -2.20 116.42 119.25 2wkr h ASP 713 Ca -0.01 -0.14 -0.12 0.00 0.42 0.00 0.00 57.03 57.18 2wkr h ASP 713 Cb 1.74 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.66 2wkr h ASP 713 CO 0.12 0.46 -0.38 -0.33 -2.88 0.00 0.00 179.24 176.23 2wkr h GLU 714 N 0.40 0.52 -0.24 0.28 4.39 -0.92 -1.48 114.58 117.52 2wkr h GLU 714 Ca 0.11 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.62 2wkr h GLU 714 Cb 0.14 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.73 2wkr h GLU 714 CO -0.01 0.82 -0.11 0.00 -1.16 0.00 0.00 179.01 178.55 2wkr h ALA 715 N 1.16 0.10 -0.34 3.43 0.00 -1.03 0.07 119.26 122.64 2wkr h ALA 715 Ca 0.04 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2wkr h ALA 715 Cb 0.86 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2wkr h ALA 715 CO 0.07 -0.52 0.16 0.82 0.00 0.00 0.00 179.25 179.78 2wkr h ILE 716 N -0.07 1.17 0.00 0.00 2.04 -1.16 -2.65 117.51 116.84 2wkr h ILE 716 Ca 0.13 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 2wkr h ILE 716 Cb 0.26 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2wkr h ILE 716 CO -0.29 0.18 -0.11 0.03 0.00 0.00 0.00 178.15 177.96 2wkr h ARG 717 N 0.42 0.00 0.00 2.37 3.08 -0.99 0.15 114.38 119.40 2wkr h ARG 717 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2wkr h ARG 717 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wkr h ARG 717 CO -0.01 0.11 -0.14 0.00 -1.07 0.00 0.00 179.97 178.86 2wkr h ALA 718 N 1.89 1.14 0.04 0.04 0.00 -0.62 -1.34 119.26 120.42 2wkr h ALA 718 Ca -0.00 -0.13 -0.34 0.00 0.00 0.00 0.00 54.91 54.44 2wkr h ALA 718 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2wkr h ALA 718 CO 0.01 0.18 -1.94 0.28 0.00 0.00 0.00 179.25 177.79 2wkr n VAL 719 N -3.47 1.62 0.03 0.00 0.31 -0.22 -4.68 118.33 111.92 2wkr n VAL 719 Ca -0.01 -0.40 0.01 0.00 -0.01 0.00 0.00 64.34 63.94 2wkr n VAL 719 Cb 0.30 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.34 2wkr n VAL 719 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2wkr n LEU 720 N -3.88 0.72 0.00 7.52 4.77 0.36 -5.13 117.00 121.36 2wkr n LEU 720 Ca -0.38 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2wkr n LEU 720 Cb 0.90 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 2wkr n LEU 720 CO 0.26 0.12 0.21 0.00 -1.33 0.00 0.00 177.39 176.65