#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg6 s LYS 397 N 0.00 3.57 -0.05 1.61 2.20 -1.19 -5.04 119.74 120.84 3fg6 s LYS 397 Ca 0.00 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.11 3fg6 s LYS 397 Cb 0.00 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.45 3fg6 s LYS 397 CO 0.00 0.29 -0.11 0.08 -0.36 0.00 0.00 175.35 175.25 3fg6 s VAL 398 N 0.22 1.02 -0.04 4.02 1.01 -1.26 -1.83 120.40 123.53 3fg6 s VAL 398 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3fg6 s VAL 398 Cb -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 36.38 35.31 3fg6 s VAL 398 CO 0.03 0.32 -0.14 -1.61 0.00 0.00 0.00 175.10 173.70 3fg6 s GLU 399 N 0.58 1.53 -0.09 2.72 2.02 -0.40 -5.00 118.70 120.05 3fg6 s GLU 399 Ca -0.12 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.41 3fg6 s GLU 399 Cb -0.14 -1.34 0.01 0.00 0.10 0.00 0.00 34.13 32.75 3fg6 s GLU 399 CO 0.03 0.18 -0.20 0.42 0.02 0.00 0.00 175.26 175.71 3fg6 s ILE 400 N 0.17 1.73 0.17 -1.63 1.01 -1.26 -0.18 121.20 121.21 3fg6 s ILE 400 Ca -0.05 -0.82 0.10 0.00 0.00 0.00 0.00 60.65 59.88 3fg6 s ILE 400 Cb -0.11 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3fg6 s ILE 400 CO 0.02 0.49 -0.20 0.26 0.00 0.00 0.00 174.94 175.51 3fg6 s TRP 401 N 0.54 2.42 -0.18 3.97 0.51 -0.22 -2.38 118.94 123.59 3fg6 s TRP 401 Ca -0.15 -0.31 -0.12 0.00 -2.12 0.00 0.00 56.10 53.40 3fg6 s TRP 401 Cb -0.17 -1.22 -0.05 0.00 -0.81 0.00 0.00 33.47 31.23 3fg6 s TRP 401 CO 0.06 0.47 0.20 0.50 -0.51 0.00 0.00 176.95 177.67 3fg6 s ARG 402 N -2.58 4.22 0.55 4.98 3.52 0.71 -1.50 118.95 128.84 3fg6 s ARG 402 Ca 0.21 -0.09 -0.18 0.00 -0.13 0.00 0.00 55.73 55.54 3fg6 s ARG 402 Cb -0.09 -3.43 -0.06 0.00 -1.56 0.00 0.00 34.95 29.82 3fg6 s ARG 402 CO 0.11 0.27 1.07 0.08 -0.81 0.00 0.00 175.30 176.02 3fg6 s VAL 403 N 0.43 3.58 0.00 7.11 1.01 -0.36 -1.95 120.40 130.22 3fg6 s VAL 403 Ca 0.12 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3fg6 s VAL 403 Cb -0.12 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.91 3fg6 s VAL 403 CO 0.01 -0.30 0.00 0.59 0.00 0.00 0.00 175.10 175.39 3fg6 n ASN 406 N -1.49 0.00 0.00 3.32 5.03 -1.26 -4.77 115.26 116.09 3fg6 n ASN 406 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 3fg6 n ASN 406 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 3fg6 n ASN 406 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg6 n GLY 407 N 0.25 -2.05 3.42 7.41 0.00 -1.26 -5.13 105.19 107.82 3fg6 n GLY 407 Ca 0.00 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3fg6 n GLY 407 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg6 s ARG 408 N -1.86 3.59 -0.25 1.61 0.52 -1.26 -4.96 118.95 116.34 3fg6 s ARG 408 Ca 0.00 -0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 3fg6 s ARG 408 Cb 0.00 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.24 3fg6 s ARG 408 CO 0.00 -0.13 0.07 0.42 0.02 0.00 0.00 175.30 175.68 3fg6 s ILE 409 N 1.42 4.34 0.07 1.52 1.01 -0.82 -4.93 121.20 123.80 3fg6 s ILE 409 Ca 0.05 -0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.21 3fg6 s ILE 409 Cb -0.15 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.18 3fg6 s ILE 409 CO 0.02 0.34 1.79 0.00 0.00 0.00 0.00 174.94 177.09 3fg6 n GLN 410 N 4.88 2.45 -2.99 2.79 6.02 -1.26 -0.20 117.38 129.07 3fg6 n GLN 410 Ca -0.16 0.89 -0.37 0.00 -0.01 0.00 0.00 57.00 57.35 3fg6 n GLN 410 Cb 0.51 -2.74 -0.06 0.00 1.02 0.00 0.00 30.24 28.97 3fg6 n GLN 410 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3fg6 s VAL 411 N 2.72 4.42 0.12 5.09 0.11 -1.00 -4.85 120.40 127.00 3fg6 s VAL 411 Ca 0.85 1.55 -0.36 0.00 -2.93 0.00 0.00 61.98 61.09 3fg6 s VAL 411 Cb -0.59 -3.99 -0.16 0.00 -1.53 0.00 0.00 36.38 30.11 3fg6 s VAL 411 CO 0.42 0.31 1.43 -0.67 -3.33 0.00 0.00 175.10 173.26 3fg6 n ASP 412 N 1.01 2.22 -0.32 3.54 -0.08 -1.26 -4.88 116.55 116.78 3fg6 n ASP 412 Ca -0.03 1.11 0.05 0.00 -1.51 0.00 0.00 54.79 54.41 3fg6 n ASP 412 Cb 0.50 -1.29 0.20 0.00 2.34 0.00 0.00 41.12 42.87 3fg6 n ASP 412 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fg6 h GLN 413 N 5.08 0.85 0.00 -0.67 5.75 -1.97 -0.05 115.11 124.10 3fg6 h GLN 413 Ca -0.47 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 57.93 3fg6 h GLN 413 Cb 1.30 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3fg6 h GLN 413 CO 0.82 0.56 -0.23 -0.91 -2.65 0.00 0.00 178.83 176.42 3fg6 h ASN 414 N 0.88 0.00 -0.30 -0.69 4.21 -2.05 -3.13 115.58 114.50 3fg6 h ASN 414 Ca 0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.95 3fg6 h ASN 414 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3fg6 h ASN 414 CO -0.26 0.23 0.00 -1.20 -1.29 0.00 0.00 177.43 174.92 3fg6 n SER 415 N -3.85 2.57 -4.65 5.81 7.64 -0.04 -4.91 113.62 116.20 3fg6 n SER 415 Ca -0.02 -2.24 -0.42 0.00 1.01 0.00 0.00 58.87 57.20 3fg6 n SER 415 Cb 0.33 -0.43 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3fg6 n SER 415 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3fg6 s TYR 416 N -1.69 1.81 0.00 1.43 4.12 -1.19 -1.03 117.35 120.80 3fg6 s TYR 416 Ca 0.24 0.15 0.00 0.00 0.02 0.00 0.00 57.07 57.48 3fg6 s TYR 416 Cb 0.16 -3.99 0.00 0.00 -1.52 0.00 0.00 41.96 36.61 3fg6 s TYR 416 CO 0.11 -4.05 0.00 0.41 0.02 0.00 0.00 175.55 172.04 3fg6 n GLY 417 N 4.40 2.35 3.54 0.71 0.00 -1.26 -5.01 105.19 109.92 3fg6 n GLY 417 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3fg6 n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg6 s GLU 418 N -0.67 3.43 0.10 1.61 2.02 -0.20 -1.14 118.70 123.87 3fg6 s GLU 418 Ca 0.00 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 54.83 3fg6 s GLU 418 Cb 0.00 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 3fg6 s GLU 418 CO 0.00 -0.85 -0.25 -0.06 0.02 0.00 0.00 175.26 174.12 3fg6 s PHE 419 N 2.65 2.14 -0.06 1.61 0.40 -0.07 -5.00 117.98 119.64 3fg6 s PHE 419 Ca 0.21 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.96 3fg6 s PHE 419 Cb -0.15 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 3fg6 s PHE 419 CO 0.16 0.25 0.54 0.71 0.70 0.00 0.00 175.22 177.58 3fg6 s TYR 420 N -1.02 3.60 0.38 0.36 2.02 -1.26 -1.45 117.35 119.98 3fg6 s TYR 420 Ca 0.11 1.05 0.07 0.00 -0.37 0.00 0.00 57.07 57.93 3fg6 s TYR 420 Cb -0.10 -2.57 0.76 0.00 -0.40 0.00 0.00 41.96 39.65 3fg6 s TYR 420 CO 0.05 0.27 1.97 0.78 -1.57 0.00 0.00 175.55 177.05 3fg6 h GLY 421 N 6.13 0.50 -1.14 0.71 0.00 -1.91 -1.91 103.07 105.46 3fg6 h GLY 421 Ca -0.44 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3fg6 h GLY 421 CO 0.72 0.23 0.00 0.61 0.00 0.00 0.00 176.54 178.10 3fg6 n GLY 422 N -1.15 0.92 3.29 4.60 0.00 -1.26 -2.11 105.19 109.48 3fg6 n GLY 422 Ca 0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 3fg6 n GLY 422 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fg6 s ASP 423 N -0.54 1.98 0.04 1.61 1.01 -0.72 -4.31 116.67 115.75 3fg6 s ASP 423 Ca 0.12 -1.07 0.05 0.00 0.71 0.00 0.00 52.55 52.36 3fg6 s ASP 423 Cb 0.08 -0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.94 3fg6 s ASP 423 CO 0.05 -0.35 -0.11 0.00 0.21 0.00 0.00 175.17 174.98 3fg6 s TYR 425 N -1.03 1.19 -0.30 0.00 1.51 0.13 -1.22 117.35 117.63 3fg6 s TYR 425 Ca 0.18 -0.36 -0.05 0.00 -1.01 0.00 0.00 57.07 55.83 3fg6 s TYR 425 Cb -0.11 -0.70 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 3fg6 s TYR 425 CO 0.09 0.03 0.05 0.42 -1.11 0.00 0.00 175.55 175.03 3fg6 s ILE 426 N -0.87 3.62 -0.26 2.71 1.01 -0.56 -0.05 121.20 126.80 3fg6 s ILE 426 Ca 0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 3fg6 s ILE 426 Cb -0.08 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3fg6 s ILE 426 CO 0.01 0.02 0.10 -0.63 0.00 0.00 0.00 174.94 174.45 3fg6 s ILE 427 N 1.42 4.57 -0.25 2.92 1.01 0.81 -1.06 121.20 130.62 3fg6 s ILE 427 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 60.65 60.49 3fg6 s ILE 427 Cb -0.18 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3fg6 s ILE 427 CO 0.01 0.30 0.06 -0.22 0.00 0.00 0.00 174.94 175.09 3fg6 s LEU 428 N 1.65 3.44 -0.23 2.97 2.96 0.74 -0.34 118.68 129.87 3fg6 s LEU 428 Ca 0.06 -0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 3fg6 s LEU 428 Cb -0.15 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3fg6 s LEU 428 CO 0.06 -0.06 0.02 -0.47 -1.32 0.00 0.00 176.35 174.57 3fg6 s TYR 429 N 1.58 3.03 -0.21 5.38 5.04 0.28 -1.28 117.35 131.17 3fg6 s TYR 429 Ca 0.06 -0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 54.07 3fg6 s TYR 429 Cb -0.15 -2.16 0.01 0.00 0.35 0.00 0.00 41.96 40.01 3fg6 s TYR 429 CO 0.02 -0.40 -0.12 0.95 -1.34 0.00 0.00 175.55 174.67 3fg6 s THR 430 N 1.43 2.70 0.07 4.34 -4.23 -0.76 -0.90 115.64 118.28 3fg6 s THR 430 Ca 0.05 -0.79 0.08 0.00 -1.18 0.00 0.00 61.69 59.86 3fg6 s THR 430 Cb -0.15 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 3fg6 s THR 430 CO 0.01 0.44 -0.22 -1.10 -0.54 0.00 0.00 174.62 173.20 3fg6 s GLN 435 N 1.37 1.40 -0.08 3.99 -1.52 -1.26 -3.17 119.66 120.39 3fg6 s GLN 435 Ca 0.04 -1.07 0.02 0.00 -1.95 0.00 0.00 55.36 52.40 3fg6 s GLN 435 Cb -0.14 -1.60 0.02 0.00 -0.22 0.00 0.00 33.01 31.06 3fg6 s GLN 435 CO -0.08 0.40 -0.11 0.42 -0.25 0.00 0.00 175.29 175.68 3fg6 s ILE 436 N -0.91 1.07 -0.31 1.08 1.01 -0.08 -1.55 121.20 121.51 3fg6 s ILE 436 Ca 0.09 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 3fg6 s ILE 436 Cb -0.09 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.39 3fg6 s ILE 436 CO 0.03 0.35 0.08 -0.63 0.00 0.00 0.00 174.94 174.77 3fg6 s ILE 437 N 0.94 3.85 -0.25 2.92 1.01 0.76 -0.55 121.20 129.87 3fg6 s ILE 437 Ca -0.09 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 59.55 3fg6 s ILE 437 Cb -0.15 -3.04 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3fg6 s ILE 437 CO 0.00 0.01 0.42 -0.31 0.00 0.00 0.00 174.94 175.06 3fg6 s TYR 438 N 1.46 3.29 -0.59 3.97 2.02 0.54 -0.84 117.35 127.20 3fg6 s TYR 438 Ca 0.01 0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 57.09 3fg6 s TYR 438 Cb -0.18 -2.60 0.14 0.00 -0.40 0.00 0.00 41.96 38.92 3fg6 s TYR 438 CO 0.02 -0.18 0.58 0.99 -1.57 0.00 0.00 175.55 175.40 3fg6 s THR 439 N 1.91 5.19 -0.29 -0.71 2.01 -0.30 -0.13 115.64 123.31 3fg6 s THR 439 Ca 0.18 -1.54 -0.26 0.00 0.31 0.00 0.00 61.69 60.38 3fg6 s THR 439 Cb -0.15 -4.39 0.01 0.00 0.01 0.00 0.00 72.50 67.97 3fg6 s THR 439 CO 0.09 -0.95 0.90 0.86 -0.69 0.00 0.00 174.62 174.83 3fg6 s TRP 440 N 1.62 3.22 -0.22 4.92 -0.00 0.93 -0.60 118.94 128.81 3fg6 s TRP 440 Ca 0.07 1.02 -0.04 0.00 -0.00 0.00 0.00 56.10 57.15 3fg6 s TRP 440 Cb -0.26 -3.33 -0.01 0.00 -0.00 0.00 0.00 33.47 29.87 3fg6 s TRP 440 CO 0.02 -0.59 -0.03 -0.65 -0.00 0.00 0.00 176.95 175.70 3fg6 s GLN 441 N 3.15 3.41 0.34 5.86 -0.21 0.11 0.21 119.66 132.53 3fg6 s GLN 441 Ca 0.37 -0.61 -0.28 0.00 0.02 0.00 0.00 55.36 54.86 3fg6 s GLN 441 Cb -0.14 -3.04 -0.10 0.00 1.00 0.00 0.00 33.01 30.74 3fg6 s GLN 441 CO 0.12 -0.19 1.22 0.20 -2.12 0.00 0.00 175.29 174.52 3fg6 s GLY 442 N 1.48 2.99 0.62 3.09 0.00 -0.45 -1.15 107.32 113.89 3fg6 s GLY 442 Ca 0.06 1.10 0.32 0.00 0.00 0.00 0.00 44.72 46.19 3fg6 s GLY 442 CO -0.03 1.70 2.11 0.00 0.00 0.00 0.00 173.10 176.89 3fg6 h ALA 443 N 3.31 1.60 -0.40 3.20 0.00 -1.87 -0.54 119.26 124.56 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg6 h ALA 443 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.65 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.73 3fg6 n ASN 444 N -3.53 3.30 -4.75 0.00 3.02 -0.90 -4.99 115.26 107.42 3fg6 n ASN 444 Ca 0.00 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.20 3fg6 n ASN 444 Cb 0.30 -0.26 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3fg6 n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg6 s ALA 445 N -1.28 3.61 0.57 5.41 0.00 -0.21 -4.60 121.76 125.27 3fg6 s ALA 445 Ca 0.35 1.33 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 3fg6 s ALA 445 Cb 0.20 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 3fg6 s ALA 445 CO 0.28 -0.75 1.12 0.95 0.00 0.00 0.00 175.76 177.35 3fg6 s THR 446 N -0.19 3.25 0.60 0.00 -4.23 -1.26 -4.87 115.64 108.94 3fg6 s THR 446 Ca 0.58 0.71 0.30 0.00 -1.18 0.00 0.00 61.69 62.10 3fg6 s THR 446 Cb -0.42 -3.25 0.36 0.00 1.34 0.00 0.00 72.50 70.53 3fg6 s THR 446 CO 0.45 -0.23 2.14 0.03 -0.54 0.00 0.00 174.62 176.47 3fg6 h ARG 447 N 0.85 0.00 -0.56 3.99 3.08 -1.99 0.41 114.38 120.17 3fg6 h ARG 447 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3fg6 h ARG 447 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 3fg6 h ARG 447 CO 0.56 0.00 0.30 0.22 -1.07 0.00 0.00 179.97 179.98 3fg6 h ASP 448 N 0.00 0.70 -0.42 7.04 3.58 -2.00 -2.24 116.42 123.08 3fg6 h ASP 448 Ca 0.06 -0.10 -0.14 0.00 0.42 0.00 0.00 57.03 57.27 3fg6 h ASP 448 Cb 0.38 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 3fg6 h ASP 448 CO -0.00 0.60 -0.28 -0.33 -2.88 0.00 0.00 179.24 176.35 3fg6 h GLU 449 N 0.75 0.94 -0.68 0.28 5.08 -1.30 -2.53 114.58 117.13 3fg6 h GLU 449 Ca 0.20 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 3fg6 h GLU 449 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 3fg6 h GLU 449 CO -0.03 1.10 0.45 -0.07 -1.00 0.00 0.00 179.01 179.45 3fg6 h LEU 450 N 0.80 0.69 -0.05 1.33 3.38 -1.26 0.19 115.31 120.40 3fg6 h LEU 450 Ca 0.09 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 3fg6 h LEU 450 Cb 0.85 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.46 3fg6 h LEU 450 CO 0.08 0.48 -0.89 0.74 0.09 0.00 0.00 178.44 178.94 3fg6 h THR 451 N 0.81 1.30 -0.57 0.22 2.02 -1.35 -2.83 112.91 112.51 3fg6 h THR 451 Ca 0.27 -2.13 -0.10 0.00 0.77 0.00 0.00 66.41 65.23 3fg6 h THR 451 Cb 0.07 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.76 3fg6 h THR 451 CO -0.08 0.66 -0.03 0.74 0.37 0.00 0.00 175.52 177.18 3fg6 h THR 452 N 0.35 1.27 -0.45 3.16 2.02 -0.98 -0.57 112.91 117.71 3fg6 h THR 452 Ca -0.10 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 3fg6 h THR 452 Cb 1.54 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 3fg6 h THR 452 CO 0.18 0.42 0.28 0.77 0.37 0.00 0.00 175.52 177.54 3fg6 h SER 453 N 0.91 0.54 -0.64 4.18 4.64 -0.72 0.65 113.55 123.11 3fg6 h SER 453 Ca 0.16 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3fg6 h SER 453 Cb 0.59 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3fg6 h SER 453 CO 0.04 0.42 0.22 0.00 -0.87 0.00 0.00 176.83 176.63 3fg6 h ALA 454 N 1.14 0.84 -0.72 5.18 0.00 -1.33 -1.88 119.26 122.49 3fg6 h ALA 454 Ca 0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3fg6 h ALA 454 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3fg6 h ALA 454 CO -0.03 0.50 0.34 0.35 0.00 0.00 0.00 179.25 180.41 3fg6 h PHE 455 N 0.92 1.02 0.00 0.00 3.57 -0.77 -2.79 116.94 118.90 3fg6 h PHE 455 Ca 0.21 -0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 3fg6 h PHE 455 Cb 0.27 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3fg6 h PHE 455 CO 0.02 0.74 -0.91 -0.07 -2.23 0.00 0.00 178.31 175.87 3fg6 h LEU 456 N 1.01 0.00 -0.72 0.59 3.38 -0.56 -1.81 115.31 117.20 3fg6 h LEU 456 Ca 0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 3fg6 h LEU 456 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3fg6 h LEU 456 CO -0.03 0.91 -0.64 0.71 0.09 0.00 0.00 178.44 179.47 3fg6 h THR 457 N 0.00 1.46 -0.19 0.22 1.35 -1.32 0.10 112.91 114.53 3fg6 h THR 457 Ca -0.01 -2.20 -0.02 0.00 -0.55 0.00 0.00 66.41 63.63 3fg6 h THR 457 Cb 1.61 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 70.21 3fg6 h THR 457 CO 0.12 0.63 0.03 0.58 -0.25 0.00 0.00 175.52 176.63 3fg6 h VAL 458 N 0.00 1.23 -0.58 6.82 2.07 -1.41 0.13 116.25 124.51 3fg6 h VAL 458 Ca -0.01 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3fg6 h VAL 458 Cb 1.14 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 3fg6 h VAL 458 CO 0.08 0.23 0.29 1.56 0.02 0.00 0.00 177.57 179.75 3fg6 h GLN 459 N 0.11 0.52 -0.18 1.57 7.50 -1.12 -0.72 115.11 122.79 3fg6 h GLN 459 Ca 0.06 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.16 3fg6 h GLN 459 Cb 0.32 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.72 3fg6 h GLN 459 CO 0.00 0.35 0.04 1.25 -1.50 0.00 0.00 178.83 178.97 3fg6 h LEU 460 N 0.54 0.28 -0.73 1.46 5.85 -0.71 -2.67 115.31 119.33 3fg6 h LEU 460 Ca 0.26 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3fg6 h LEU 460 Cb 0.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3fg6 h LEU 460 CO -0.19 0.45 0.43 -0.78 -0.34 0.00 0.00 178.44 178.00 3fg6 h ASP 461 N 0.10 0.88 0.17 1.25 -0.00 -0.54 -2.54 116.42 115.75 3fg6 h ASP 461 Ca 0.06 -0.07 -0.06 0.00 -0.00 0.00 0.00 57.03 56.95 3fg6 h ASP 461 Cb 0.28 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.38 3fg6 h ASP 461 CO 0.00 0.69 -0.23 0.03 -0.00 0.00 0.00 179.24 179.73 3fg6 h ARG 462 N 0.99 0.11 0.00 0.28 3.08 -1.13 0.18 114.38 117.90 3fg6 h ARG 462 Ca 0.26 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3fg6 h ARG 462 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3fg6 h ARG 462 CO -0.05 0.35 0.00 -1.13 -1.07 0.00 0.00 179.97 178.07 3fg6 n SER 463 N -4.22 0.55 -0.53 7.04 3.41 -0.99 -2.97 113.62 115.91 3fg6 n SER 463 Ca -0.02 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 3fg6 n SER 463 Cb 0.32 -0.70 0.09 0.00 -0.26 0.00 0.00 64.21 63.66 3fg6 n SER 463 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fg6 n LEU 464 N -2.02 2.02 0.00 1.04 4.77 -0.89 -4.96 117.00 116.96 3fg6 n LEU 464 Ca 0.06 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3fg6 n LEU 464 Cb 0.40 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fg6 n LEU 464 CO 0.29 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3fg6 n GLY 465 N 1.39 1.28 1.31 -0.72 0.00 -1.03 -4.49 105.19 102.93 3fg6 n GLY 465 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fg6 n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 466 N -0.69 0.63 0.06 -0.02 0.00 0.58 -4.94 105.19 100.81 3fg6 n GLY 466 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.73 3fg6 n GLY 466 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fg6 h GLN 467 N 0.89 0.00 -6.90 1.61 5.75 -1.79 -3.48 115.11 111.19 3fg6 h GLN 467 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 3fg6 h GLN 467 Cb 0.00 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.58 3fg6 h GLN 467 CO 0.00 0.00 0.49 0.00 -2.65 0.00 0.00 178.83 176.67 3fg6 s ALA 468 N -3.19 3.25 0.16 3.38 0.00 -1.26 -4.69 121.76 119.42 3fg6 s ALA 468 Ca 0.05 0.91 -0.29 0.00 0.00 0.00 0.00 51.96 52.63 3fg6 s ALA 468 Cb 0.13 -3.35 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3fg6 s ALA 468 CO 0.74 -0.35 0.93 0.08 0.00 0.00 0.00 175.76 177.16 3fg6 s VAL 469 N -1.36 4.35 -0.15 0.00 1.01 -0.60 -4.93 120.40 118.73 3fg6 s VAL 469 Ca 0.52 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.54 3fg6 s VAL 469 Cb -0.30 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 3fg6 s VAL 469 CO 0.38 0.40 -0.15 -1.10 0.00 0.00 0.00 175.10 174.63 3fg6 s GLN 470 N -0.50 3.24 -0.15 2.72 -0.21 -1.26 -0.17 119.66 123.32 3fg6 s GLN 470 Ca 0.44 -0.74 -0.00 0.00 0.02 0.00 0.00 55.36 55.07 3fg6 s GLN 470 Cb -0.24 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.18 3fg6 s GLN 470 CO 0.30 0.04 -0.08 0.42 -2.12 0.00 0.00 175.29 173.85 3fg6 s ILE 471 N 0.75 1.25 -0.44 1.08 1.01 -0.02 -4.98 121.20 119.86 3fg6 s ILE 471 Ca -0.06 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 3fg6 s ILE 471 Cb -0.15 -1.32 0.02 0.00 0.01 0.00 0.00 42.46 41.02 3fg6 s ILE 471 CO 0.01 0.26 0.97 -0.60 0.00 0.00 0.00 174.94 175.57 3fg6 s ARG 472 N 1.59 3.66 -0.30 2.79 3.52 -1.26 -1.15 118.95 127.80 3fg6 s ARG 472 Ca 0.02 0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.91 3fg6 s ARG 472 Cb -0.14 -3.89 0.01 0.00 -1.56 0.00 0.00 34.95 29.37 3fg6 s ARG 472 CO -0.08 -1.17 0.10 0.08 -0.81 0.00 0.00 175.30 173.42 3fg6 s VAL 473 N 3.80 4.10 0.49 7.11 1.01 0.23 -4.95 120.40 132.20 3fg6 s VAL 473 Ca 0.39 -0.67 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3fg6 s VAL 473 Cb -0.10 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 3fg6 s VAL 473 CO 0.25 0.05 1.05 -0.44 0.00 0.00 0.00 175.10 176.01 3fg6 s SER 474 N 1.52 6.28 0.20 3.32 0.01 -1.26 0.06 113.70 123.83 3fg6 s SER 474 Ca 0.03 1.98 -0.32 0.00 1.31 0.00 0.00 55.95 58.94 3fg6 s SER 474 Cb -0.17 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.35 3fg6 s SER 474 CO 0.03 -0.83 1.43 1.67 0.41 0.00 0.00 173.24 175.95 3fg6 n GLN 475 N -0.95 1.93 -0.84 12.44 7.27 -0.30 -1.55 117.38 135.38 3fg6 n GLN 475 Ca 0.09 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.85 3fg6 n GLN 475 Cb 0.52 -2.36 0.00 0.00 2.41 0.00 0.00 30.24 30.81 3fg6 n GLN 475 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fg6 n GLY 476 N 2.50 0.76 0.58 1.69 0.00 -1.26 -4.80 105.19 104.65 3fg6 n GLY 476 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3fg6 n GLY 476 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fg6 n LYS 477 N -2.00 1.98 -1.70 1.61 4.76 -0.59 -4.69 118.16 117.53 3fg6 n LYS 477 Ca 0.00 -2.84 -0.43 0.00 -2.87 0.00 0.00 58.31 52.16 3fg6 n LYS 477 Cb 0.00 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.47 3fg6 n LYS 477 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3fg6 n GLU 478 N -1.03 2.56 -1.41 1.97 4.71 -1.25 -4.66 120.64 121.53 3fg6 n GLU 478 Ca 0.21 0.92 -0.29 0.00 -0.01 0.00 0.00 57.16 57.99 3fg6 n GLU 478 Cb 0.80 -2.74 0.14 0.00 -1.01 0.00 0.00 31.44 28.63 3fg6 n GLU 478 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3fg6 s PRO 479 N 1.10 0.99 0.25 3.49 0.04 -1.26 -4.90 135.00 134.71 3fg6 s PRO 479 Ca 0.76 0.40 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 3fg6 s PRO 479 Cb -0.57 -1.81 0.40 0.00 0.04 0.00 0.00 34.50 32.57 3fg6 s PRO 479 CO 0.34 -2.32 1.39 1.33 0.04 0.00 0.00 177.00 177.78 3fg6 n VAL 480 N -3.87 -0.38 0.09 -0.36 0.24 -1.26 -2.80 118.33 109.99 3fg6 n VAL 480 Ca 0.06 2.04 -0.17 0.00 -2.04 0.00 0.00 64.34 64.23 3fg6 n VAL 480 Cb 0.58 -2.82 -0.14 0.00 -1.47 0.00 0.00 33.84 29.99 3fg6 n VAL 480 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 3fg6 h HIS 481 N 0.00 0.51 0.00 6.34 -0.00 -2.02 -3.33 115.15 116.65 3fg6 h HIS 481 Ca 0.42 -0.37 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 3fg6 h HIS 481 Cb 0.65 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 3fg6 h HIS 481 CO -0.69 1.35 -0.10 1.25 -0.00 0.00 0.00 177.93 179.74 3fg6 h LEU 482 N 0.08 0.00 -0.09 0.26 5.85 -1.89 -2.70 115.31 116.81 3fg6 h LEU 482 Ca -0.19 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 3fg6 h LEU 482 Cb 2.01 0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.05 3fg6 h LEU 482 CO 0.19 0.10 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.67 3fg6 h LEU 483 N 0.00 0.72 -2.11 2.25 3.38 -1.67 -3.27 115.31 114.61 3fg6 h LEU 483 Ca -0.00 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 3fg6 h LEU 483 Cb 0.46 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fg6 h LEU 483 CO 0.01 1.28 -0.04 0.77 0.09 0.00 0.00 178.44 180.54 3fg6 h SER 484 N 0.22 0.00 0.09 -0.43 4.64 -1.62 -1.43 113.55 115.02 3fg6 h SER 484 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3fg6 h SER 484 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3fg6 h SER 484 CO 0.13 0.04 -0.03 -0.07 -0.87 0.00 0.00 176.83 176.03 3fg6 h LEU 485 N 0.00 0.00 -8.26 5.97 4.07 -1.59 -3.37 115.31 112.14 3fg6 h LEU 485 Ca -0.00 0.00 -0.64 0.00 0.08 0.00 0.00 57.88 57.32 3fg6 h LEU 485 Cb 0.09 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.68 3fg6 h LEU 485 CO 0.01 0.03 0.45 -0.36 -1.08 0.00 0.00 178.44 177.49 3fg6 s PHE 486 N -4.53 2.75 -0.92 1.13 0.40 -0.54 -4.97 117.98 111.30 3fg6 s PHE 486 Ca -0.04 -0.59 -0.25 0.00 -0.60 0.00 0.00 56.93 55.45 3fg6 s PHE 486 Cb 0.15 -4.21 -0.07 0.00 0.51 0.00 0.00 43.02 39.40 3fg6 s PHE 486 CO 0.56 -1.55 2.04 0.15 0.70 0.00 0.00 175.22 177.12 3fg6 s LYS 487 N 3.77 2.33 -0.28 0.44 -0.14 -1.26 -3.77 119.74 120.82 3fg6 s LYS 487 Ca 0.21 -0.24 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 3fg6 s LYS 487 Cb -0.18 -5.03 0.00 0.00 -1.68 0.00 0.00 37.83 30.94 3fg6 s LYS 487 CO 0.10 -3.71 0.00 -0.25 -0.76 0.00 0.00 175.35 170.73 3fg6 n ASP 488 N 15.08 -3.79 -4.78 2.83 9.92 -1.26 -4.93 116.55 129.62 3fg6 n ASP 488 Ca 0.42 0.07 -0.36 0.00 -0.53 0.00 0.00 54.79 54.39 3fg6 n ASP 488 Cb 0.46 -2.60 -0.08 0.00 -0.64 0.00 0.00 41.12 38.27 3fg6 n ASP 488 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3fg6 s LYS 489 N -1.65 3.60 0.71 -1.24 -2.85 -1.25 -5.10 119.74 111.96 3fg6 s LYS 489 Ca 0.00 -0.23 -0.11 0.00 -1.00 0.00 0.00 55.97 54.63 3fg6 s LYS 489 Cb 0.00 -3.17 0.02 0.00 -2.06 0.00 0.00 37.83 32.61 3fg6 s LYS 489 CO 0.00 0.59 1.08 -1.25 0.10 0.00 0.00 175.35 175.87 3fg6 s PRO 490 N -0.51 2.84 -0.10 1.78 0.04 -1.26 -4.83 135.00 132.97 3fg6 s PRO 490 Ca 0.11 0.65 -0.28 0.00 0.04 0.00 0.00 61.00 61.53 3fg6 s PRO 490 Cb -0.12 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3fg6 s PRO 490 CO 0.02 -1.09 0.91 -1.17 0.04 0.00 0.00 177.00 175.71 3fg6 s LEU 491 N -5.46 4.26 -0.12 -3.56 2.96 -1.06 -4.78 118.68 110.93 3fg6 s LEU 491 Ca 0.58 1.41 0.03 0.00 -0.22 0.00 0.00 54.13 55.94 3fg6 s LEU 491 Cb -0.12 -3.40 0.00 0.00 0.50 0.00 0.00 46.19 43.17 3fg6 s LEU 491 CO 0.53 -0.35 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.36 3fg6 s ILE 492 N 1.67 2.04 -0.04 6.68 1.01 -0.29 -0.66 121.20 131.62 3fg6 s ILE 492 Ca 0.45 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 60.17 3fg6 s ILE 492 Cb -0.18 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3fg6 s ILE 492 CO 0.18 0.55 -0.23 -0.63 0.00 0.00 0.00 174.94 174.81 3fg6 s ILE 493 N 0.57 1.89 0.54 2.92 1.01 0.28 -0.89 121.20 127.50 3fg6 s ILE 493 Ca -0.13 -0.99 0.06 0.00 0.00 0.00 0.00 60.65 59.58 3fg6 s ILE 493 Cb -0.17 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.75 3fg6 s ILE 493 CO 0.04 0.53 0.41 -0.31 0.00 0.00 0.00 174.94 175.61 3fg6 s TYR 494 N -0.30 1.69 0.29 3.97 1.51 -0.53 -1.59 117.35 122.40 3fg6 s TYR 494 Ca 0.02 -0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 55.26 3fg6 s TYR 494 Cb -0.11 -1.94 0.45 0.00 -0.11 0.00 0.00 41.96 40.25 3fg6 s TYR 494 CO 0.02 -0.47 1.87 -1.00 -1.11 0.00 0.00 175.55 174.86 3fg6 h PRO 509 N 0.76 0.85 -5.50 -1.71 0.13 -1.98 -3.38 132.00 121.17 3fg6 h PRO 509 Ca -0.37 -0.14 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 3fg6 h PRO 509 Cb 1.30 -0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 3fg6 h PRO 509 CO 0.57 0.71 -0.34 0.99 -0.23 0.00 0.00 178.00 179.70 3fg6 s THR 510 N -5.36 5.31 0.01 1.56 2.01 -1.26 -3.62 115.64 114.29 3fg6 s THR 510 Ca -0.10 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3fg6 s THR 510 Cb 0.16 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 3fg6 s THR 510 CO 0.79 0.41 -0.02 -0.13 -0.69 0.00 0.00 174.62 174.98 3fg6 s ARG 511 N 0.34 0.16 -0.09 4.92 0.52 -0.37 -4.95 118.95 119.48 3fg6 s ARG 511 Ca 0.16 -0.20 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 3fg6 s ARG 511 Cb -0.13 -0.05 0.01 0.00 0.52 0.00 0.00 34.95 35.30 3fg6 s ARG 511 CO 0.04 0.01 -0.18 -1.17 0.02 0.00 0.00 175.30 174.01 3fg6 s LEU 512 N -0.42 1.88 -0.08 2.53 2.96 -1.26 -0.31 118.68 123.97 3fg6 s LEU 512 Ca -0.04 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3fg6 s LEU 512 Cb -0.03 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3fg6 s LEU 512 CO -0.00 0.09 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.53 3fg6 s PHE 513 N 0.60 2.55 -0.25 5.38 0.40 -0.22 -0.09 117.98 126.36 3fg6 s PHE 513 Ca -0.14 -0.77 -0.10 0.00 -0.60 0.00 0.00 56.93 55.32 3fg6 s PHE 513 Cb -0.17 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.64 3fg6 s PHE 513 CO 0.04 -0.25 0.16 -1.14 0.70 0.00 0.00 175.22 174.74 3fg6 s GLN 514 N 0.02 4.03 -0.24 0.44 0.74 0.36 -1.35 119.66 123.67 3fg6 s GLN 514 Ca -0.08 -0.29 -0.06 0.00 0.05 0.00 0.00 55.36 54.98 3fg6 s GLN 514 Cb -0.15 -3.55 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 3fg6 s GLN 514 CO 0.05 0.01 0.04 0.08 -0.55 0.00 0.00 175.29 174.92 3fg6 s VAL 515 N 1.18 4.05 -0.01 1.34 1.01 0.10 -0.11 120.40 127.97 3fg6 s VAL 515 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3fg6 s VAL 515 Cb -0.14 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3fg6 s VAL 515 CO 0.06 0.37 -0.02 -0.60 0.00 0.00 0.00 175.10 174.91 3fg6 s ARG 516 N 1.50 0.24 -0.06 2.72 3.52 0.59 -2.44 118.95 125.01 3fg6 s ARG 516 Ca 0.06 -0.04 0.03 0.00 -0.13 0.00 0.00 55.73 55.64 3fg6 s ARG 516 Cb -0.15 -0.29 0.01 0.00 -1.56 0.00 0.00 34.95 32.96 3fg6 s ARG 516 CO 0.02 0.00 -0.13 0.50 -0.81 0.00 0.00 175.30 174.87 3fg6 s ARG 517 N 0.26 1.76 -0.00 5.12 3.52 -1.26 0.14 118.95 128.48 3fg6 s ARG 517 Ca -0.02 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 3fg6 s ARG 517 Cb -0.05 -1.45 -0.01 0.00 -1.56 0.00 0.00 34.95 31.88 3fg6 s ARG 517 CO -0.01 0.06 -0.09 0.54 -0.81 0.00 0.00 175.30 175.00 3fg6 s ASN 518 N 0.55 1.03 -1.35 -2.12 2.20 -1.26 -4.93 114.94 109.06 3fg6 s ASN 518 Ca -0.13 -0.20 -0.13 0.00 -0.94 0.00 0.00 52.86 51.46 3fg6 s ASN 518 Cb -0.15 -0.10 0.01 0.00 -2.00 0.00 0.00 41.25 39.01 3fg6 s ASN 518 CO 0.04 0.08 0.43 0.18 -2.94 0.00 0.00 177.10 174.89 3fg6 n LEU 519 N 2.73 -1.40 0.00 3.54 4.77 -1.26 -4.12 117.00 121.25 3fg6 n LEU 519 Ca -0.14 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3fg6 n LEU 519 Cb 0.57 -1.90 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 3fg6 n LEU 519 CO 0.25 0.56 0.00 0.00 -1.33 0.00 0.00 177.39 176.86 3fg6 n ALA 520 N -4.61 0.00 -0.42 -1.18 0.00 -1.26 -4.90 120.51 108.14 3fg6 n ALA 520 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3fg6 n ALA 520 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3fg6 n ALA 520 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fg6 n SER 521 N 8.71 0.00 -3.64 0.00 3.41 -1.26 -4.57 113.62 116.27 3fg6 n SER 521 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3fg6 n SER 521 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3fg6 n SER 521 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3fg6 s ILE 522 N 0.00 0.05 -0.01 -1.33 2.07 -1.26 -4.98 121.20 115.74 3fg6 s ILE 522 Ca 0.00 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.52 3fg6 s ILE 522 Cb 0.00 -0.97 -0.05 0.00 0.13 0.00 0.00 42.46 41.57 3fg6 s ILE 522 CO 0.00 -0.23 1.36 -0.89 -1.91 0.00 0.00 174.94 173.26 3fg6 s THR 523 N -2.59 3.83 -0.17 4.00 2.01 -1.26 -4.61 115.64 116.85 3fg6 s THR 523 Ca -0.05 1.20 -0.05 0.00 0.31 0.00 0.00 61.69 63.11 3fg6 s THR 523 Cb -0.01 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3fg6 s THR 523 CO -0.03 -0.00 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.75 3fg6 s ARG 524 N 2.36 3.68 -0.21 4.92 0.52 0.12 -2.57 118.95 127.78 3fg6 s ARG 524 Ca 0.62 -0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 3fg6 s ARG 524 Cb -0.30 -3.01 -0.00 0.00 0.52 0.00 0.00 34.95 32.16 3fg6 s ARG 524 CO 0.25 0.16 -0.08 0.42 0.02 0.00 0.00 175.30 176.07 3fg6 s ILE 525 N 0.60 3.03 -0.10 1.52 1.01 0.17 -0.30 121.20 127.14 3fg6 s ILE 525 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3fg6 s ILE 525 Cb -0.14 -2.36 0.02 0.00 0.01 0.00 0.00 42.46 39.99 3fg6 s ILE 525 CO 0.02 0.45 -0.11 -0.69 0.00 0.00 0.00 174.94 174.62 3fg6 s VAL 526 N 1.41 1.17 0.22 2.92 1.01 0.85 -0.56 120.40 127.42 3fg6 s VAL 526 Ca 0.05 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3fg6 s VAL 526 Cb -0.14 -1.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.03 3fg6 s VAL 526 CO -0.06 0.38 1.40 -0.70 0.00 0.00 0.00 175.10 176.12 3fg6 s GLU 527 N 1.17 4.31 0.30 2.72 2.12 -0.62 0.13 118.70 128.84 3fg6 s GLU 527 Ca -0.05 2.21 0.03 0.00 0.36 0.00 0.00 54.97 57.52 3fg6 s GLU 527 Cb -0.14 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 3fg6 s GLU 527 CO -0.03 -0.37 0.07 0.14 -0.54 0.00 0.00 175.26 174.54 3fg6 s VAL 528 N 0.14 0.95 0.48 3.70 -7.23 0.87 -4.88 120.40 114.43 3fg6 s VAL 528 Ca 0.59 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.53 3fg6 s VAL 528 Cb -0.40 -2.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.74 3fg6 s VAL 528 CO 0.40 0.00 1.27 0.47 -0.31 0.00 0.00 175.10 176.93 3fg6 n ASP 529 N -0.63 2.43 -2.02 4.85 8.00 -1.26 -4.14 116.55 123.78 3fg6 n ASP 529 Ca -0.02 1.04 -0.13 0.00 0.71 0.00 0.00 54.79 56.39 3fg6 n ASP 529 Cb 0.66 -1.51 -0.12 0.00 -0.02 0.00 0.00 41.12 40.13 3fg6 n ASP 529 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fg6 n VAL 530 N -0.60 2.93 -4.17 2.53 0.24 -1.26 -4.75 118.33 113.25 3fg6 n VAL 530 Ca 0.08 -1.65 -0.22 0.00 -2.04 0.00 0.00 64.34 60.51 3fg6 n VAL 530 Cb 0.42 -1.84 -0.05 0.00 -1.47 0.00 0.00 33.84 30.89 3fg6 n VAL 530 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3fg6 s ASP 531 N 1.64 5.10 0.30 -1.34 1.11 -1.26 -4.62 116.67 117.60 3fg6 s ASP 531 Ca 0.56 -0.44 0.08 0.00 0.18 0.00 0.00 52.55 52.93 3fg6 s ASP 531 Cb 0.29 -1.14 0.46 0.00 1.07 0.00 0.00 42.92 43.61 3fg6 s ASP 531 CO -0.04 -0.05 1.69 0.00 1.18 0.00 0.00 175.17 177.95 3fg6 h ALA 532 N 1.63 1.11 -0.04 5.23 0.00 -1.79 -2.78 119.26 122.62 3fg6 h ALA 532 Ca -0.46 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3fg6 h ALA 532 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.61 0.00 0.27 0.00 0.00 0.00 179.25 180.74 3fg6 n ASN 533 N -3.98 0.23 0.17 0.00 0.23 -1.26 -2.04 115.26 108.62 3fg6 n ASN 533 Ca -0.02 -1.88 0.11 0.00 -0.53 0.00 0.00 54.58 52.27 3fg6 n ASN 533 Cb 0.51 -0.03 0.10 0.00 -2.08 0.00 0.00 39.78 38.28 3fg6 n ASN 533 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3fg6 h SER 534 N 0.27 0.00 -4.16 0.53 0.02 -1.78 -3.43 113.55 104.99 3fg6 h SER 534 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 3fg6 h SER 534 Cb 0.06 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.75 3fg6 h SER 534 CO 0.00 0.04 0.42 -0.76 -1.14 0.00 0.00 176.83 175.39 3fg6 s LEU 535 N -5.95 3.39 -0.17 5.07 1.43 -0.86 -5.00 118.68 116.59 3fg6 s LEU 535 Ca 0.04 2.38 -0.06 0.00 -1.03 0.00 0.00 54.13 55.46 3fg6 s LEU 535 Cb 0.07 -4.59 0.08 0.00 0.03 0.00 0.00 46.19 41.77 3fg6 s LEU 535 CO 0.72 -2.13 0.35 0.21 0.23 0.00 0.00 176.35 175.73 3fg6 s ASN 536 N -1.92 0.05 0.63 2.29 3.84 -1.26 -3.56 114.94 115.01 3fg6 s ASN 536 Ca 0.75 0.78 0.33 0.00 0.21 0.00 0.00 52.86 54.93 3fg6 s ASN 536 Cb -0.30 1.04 1.83 0.00 -0.55 0.00 0.00 41.25 43.28 3fg6 s ASN 536 CO 0.43 -0.24 2.11 0.28 -2.79 0.00 0.00 177.10 176.89 3fg6 h SER 537 N 8.23 0.00 1.41 -4.21 0.02 -1.80 -2.21 113.55 115.00 3fg6 h SER 537 Ca -0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 3fg6 h SER 537 Cb 1.11 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.65 3fg6 h SER 537 CO 0.13 0.00 -0.59 -1.13 -1.14 0.00 0.00 176.83 174.10 3fg6 h ASN 538 N 0.00 0.00 -0.98 3.07 -0.73 -1.83 -0.80 115.58 114.30 3fg6 h ASN 538 Ca 0.05 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.59 3fg6 h ASN 538 Cb 0.45 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.93 3fg6 h ASN 538 CO -0.00 0.03 -0.50 -1.81 -0.37 0.00 0.00 177.43 174.77 3fg6 s ASP 539 N -5.75 4.20 0.01 1.15 1.01 -0.83 -3.58 116.67 112.89 3fg6 s ASP 539 Ca 0.03 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 51.89 3fg6 s ASP 539 Cb 0.08 0.06 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 3fg6 s ASP 539 CO 0.74 -0.72 0.07 -0.69 0.21 0.00 0.00 175.17 174.78 3fg6 s VAL 540 N -2.76 4.63 0.06 -1.27 1.01 -1.02 -2.31 120.40 118.73 3fg6 s VAL 540 Ca 0.25 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.81 3fg6 s VAL 540 Cb 0.04 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 3fg6 s VAL 540 CO 0.14 0.32 -0.19 -0.36 0.00 0.00 0.00 175.10 175.00 3fg6 s PHE 541 N -1.21 1.68 -0.20 5.22 0.08 -0.34 0.01 117.98 123.21 3fg6 s PHE 541 Ca 0.23 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.90 3fg6 s PHE 541 Cb -0.12 -0.98 0.02 0.00 -0.57 0.00 0.00 43.02 41.37 3fg6 s PHE 541 CO 0.15 0.11 -0.15 0.08 -0.10 0.00 0.00 175.22 175.31 3fg6 s VAL 542 N -0.92 2.40 -0.44 -0.44 1.01 -0.45 -0.11 120.40 121.44 3fg6 s VAL 542 Ca 0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 3fg6 s VAL 542 Cb -0.09 -2.07 0.08 0.00 0.00 0.00 0.00 36.38 34.30 3fg6 s VAL 542 CO 0.02 0.45 0.30 -0.22 0.00 0.00 0.00 175.10 175.65 3fg6 s LEU 543 N 1.32 5.33 -0.17 3.92 0.20 0.47 -1.05 118.68 128.69 3fg6 s LEU 543 Ca 0.04 -1.50 -0.23 0.00 0.69 0.00 0.00 54.13 53.12 3fg6 s LEU 543 Cb -0.14 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 3fg6 s LEU 543 CO -0.10 -0.58 0.73 -0.75 -0.29 0.00 0.00 176.35 175.36 3fg6 s LYS 544 N 1.47 4.28 0.37 1.98 2.20 0.57 -1.93 119.74 128.68 3fg6 s LYS 544 Ca 0.03 0.82 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 3fg6 s LYS 544 Cb -0.24 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 3fg6 s LYS 544 CO 0.03 -0.24 0.58 -0.51 -0.36 0.00 0.00 175.35 174.85 3fg6 s LEU 545 N 1.87 3.94 0.60 5.43 1.43 0.39 -1.23 118.68 131.11 3fg6 s LEU 545 Ca 0.34 0.42 0.35 0.00 -1.03 0.00 0.00 54.13 54.21 3fg6 s LEU 545 Cb -0.16 -3.29 1.90 0.00 0.03 0.00 0.00 46.19 44.66 3fg6 s LEU 545 CO 0.12 -0.38 2.22 -0.65 0.23 0.00 0.00 176.35 177.90 3fg6 h PRO 546 N 0.68 0.00 -0.30 1.29 0.11 -1.85 -2.68 132.00 129.25 3fg6 h PRO 546 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fg6 h PRO 546 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fg6 h PRO 546 CO 0.60 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3fg6 n GLN 547 N -3.44 1.51 -3.27 1.05 10.64 -1.26 -4.89 117.38 117.73 3fg6 n GLN 547 Ca -0.02 -0.68 -0.16 0.00 -1.83 0.00 0.00 57.00 54.31 3fg6 n GLN 547 Cb 0.14 -1.23 0.07 0.00 -0.86 0.00 0.00 30.24 28.37 3fg6 n GLN 547 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fg6 n ASN 548 N 0.06 -2.87 -2.95 2.61 3.02 -1.01 -5.04 115.26 109.08 3fg6 n ASN 548 Ca 0.06 -0.51 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 3fg6 n ASN 548 Cb 0.21 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 34.92 3fg6 n ASN 548 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3fg6 n SER 549 N -2.71 -1.36 0.00 6.41 3.41 -1.25 -2.98 113.62 115.13 3fg6 n SER 549 Ca -0.19 -2.85 0.00 0.00 -0.26 0.00 0.00 58.87 55.57 3fg6 n SER 549 Cb 0.62 2.53 0.00 0.00 -0.26 0.00 0.00 64.21 67.10 3fg6 n SER 549 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg6 n GLY 550 N -0.57 -0.51 3.23 5.00 0.00 -0.54 -0.46 105.19 111.34 3fg6 n GLY 550 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 3fg6 n GLY 550 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg6 s TYR 551 N -3.00 1.88 -0.35 1.61 2.02 -0.81 -0.44 117.35 118.27 3fg6 s TYR 551 Ca 0.00 -0.36 -0.12 0.00 -0.37 0.00 0.00 57.07 56.22 3fg6 s TYR 551 Cb 0.00 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.35 3fg6 s TYR 551 CO 0.00 -0.02 0.23 0.42 -1.57 0.00 0.00 175.55 174.61 3fg6 s ILE 552 N -0.52 5.06 -0.47 2.71 1.01 -0.13 -0.39 121.20 128.47 3fg6 s ILE 552 Ca 0.08 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 3fg6 s ILE 552 Cb -0.08 -3.64 0.08 0.00 0.01 0.00 0.00 42.46 38.82 3fg6 s ILE 552 CO -0.01 -0.05 0.38 0.86 0.00 0.00 0.00 174.94 176.13 3fg6 s TRP 553 N 1.68 3.26 -0.36 3.97 -0.00 0.84 -0.92 118.94 127.41 3fg6 s TRP 553 Ca 0.05 -1.04 -0.25 0.00 -0.00 0.00 0.00 56.10 54.86 3fg6 s TRP 553 Cb -0.18 -3.18 0.01 0.00 -0.00 0.00 0.00 33.47 30.13 3fg6 s TRP 553 CO 0.09 -0.82 0.88 0.08 -0.00 0.00 0.00 176.95 177.19 3fg6 s VAL 554 N 1.61 4.64 0.84 5.86 1.01 -0.12 -1.20 120.40 133.04 3fg6 s VAL 554 Ca 0.04 1.15 -0.10 0.00 0.00 0.00 0.00 61.98 63.07 3fg6 s VAL 554 Cb -0.24 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 31.95 3fg6 s VAL 554 CO 0.06 -0.47 1.12 -0.83 0.00 0.00 0.00 175.10 174.98 3fg6 s GLY 555 N 1.82 1.70 0.40 4.51 0.00 -0.98 -0.79 107.32 113.98 3fg6 s GLY 555 Ca 0.36 0.45 0.14 0.00 0.00 0.00 0.00 44.72 45.67 3fg6 s GLY 555 CO 0.17 0.83 1.87 0.50 0.00 0.00 0.00 173.10 176.47 3fg6 h LYS 556 N -1.50 0.00 -0.76 2.90 1.57 -1.54 -3.06 116.57 114.17 3fg6 h LYS 556 Ca -0.43 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.82 3fg6 h LYS 556 Cb 1.25 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.23 3fg6 h LYS 556 CO 0.46 0.32 -0.16 0.41 -0.57 0.00 0.00 179.45 179.91 3fg6 n GLY 557 N -0.55 5.98 3.88 3.86 0.00 -0.11 -4.36 105.19 113.89 3fg6 n GLY 557 Ca -0.02 -2.31 -0.36 0.00 0.00 0.00 0.00 46.02 43.34 3fg6 n GLY 557 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg6 s ALA 558 N -3.61 3.84 0.57 4.61 0.00 -1.16 -4.64 121.76 121.37 3fg6 s ALA 558 Ca 0.54 -0.55 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 3fg6 s ALA 558 Cb 0.44 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 3fg6 s ALA 558 CO 0.02 0.62 0.94 -1.54 0.00 0.00 0.00 175.76 175.80 3fg6 s SER 559 N -1.37 6.25 0.31 0.00 1.04 -1.26 -4.99 113.70 113.68 3fg6 s SER 559 Ca 0.22 1.26 0.01 0.00 0.48 0.00 0.00 55.95 57.92 3fg6 s SER 559 Cb -0.13 -2.40 0.49 0.00 0.10 0.00 0.00 66.02 64.08 3fg6 s SER 559 CO 0.11 -0.76 1.86 -0.61 0.98 0.00 0.00 173.24 174.82 3fg6 h GLN 560 N -0.09 0.72 -0.38 4.02 5.75 -2.00 -2.28 115.11 120.86 3fg6 h GLN 560 Ca -0.45 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 57.89 3fg6 h GLN 560 Cb 1.19 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3fg6 h GLN 560 CO 0.62 0.66 0.16 0.93 -2.65 0.00 0.00 178.83 178.55 3fg6 h GLU 561 N 0.70 0.53 -0.09 1.69 3.07 -2.00 -1.33 114.58 117.15 3fg6 h GLU 561 Ca 0.16 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3fg6 h GLU 561 Cb 0.27 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3fg6 h GLU 561 CO -0.00 0.43 -0.55 0.93 -1.40 0.00 0.00 179.01 178.43 3fg6 h GLU 562 N 0.53 0.26 -0.30 2.33 5.08 -1.79 -2.02 114.58 118.66 3fg6 h GLU 562 Ca 0.13 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.19 3fg6 h GLU 562 Cb 0.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3fg6 h GLU 562 CO -0.02 0.74 -0.40 1.49 -1.00 0.00 0.00 179.01 179.83 3fg6 h GLU 563 N 0.20 0.72 -0.67 2.33 4.81 -0.96 -2.08 114.58 118.94 3fg6 h GLU 563 Ca 0.00 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.84 3fg6 h GLU 563 Cb 1.02 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3fg6 h GLU 563 CO 0.09 0.99 0.33 0.87 -0.73 0.00 0.00 179.01 180.56 3fg6 h LYS 564 N 0.59 0.95 -0.43 1.92 1.57 -1.09 -1.46 116.57 118.63 3fg6 h LYS 564 Ca 0.05 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3fg6 h LYS 564 Cb 0.94 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 3fg6 h LYS 564 CO 0.09 0.75 0.26 0.78 -0.57 0.00 0.00 179.45 180.75 3fg6 h GLY 565 N 0.92 0.60 0.25 3.86 0.00 -1.27 -1.73 103.07 105.71 3fg6 h GLY 565 Ca 0.23 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.41 3fg6 h GLY 565 CO -0.03 0.18 -0.27 0.00 0.00 0.00 0.00 176.54 176.41 3fg6 h ALA 566 N 1.19 -0.29 -0.05 3.60 0.00 -1.09 -1.01 119.26 121.61 3fg6 h ALA 566 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3fg6 h ALA 566 Cb -0.00 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3fg6 h ALA 566 CO -0.07 -0.74 0.07 0.93 0.00 0.00 0.00 179.25 179.43 3fg6 h GLU 567 N -0.35 0.00 0.00 0.00 5.08 -1.04 -2.08 114.58 116.20 3fg6 h GLU 567 Ca 0.10 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3fg6 h GLU 567 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3fg6 h GLU 567 CO -0.32 0.00 -0.28 -0.92 -1.00 0.00 0.00 179.01 176.49 3fg6 h TYR 568 N 0.00 0.28 -0.59 4.33 3.20 -0.28 -3.11 116.97 120.80 3fg6 h TYR 568 Ca 0.03 -0.15 0.02 0.00 3.14 0.00 0.00 58.73 61.76 3fg6 h TYR 568 Cb 0.16 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 3fg6 h TYR 568 CO 0.00 0.97 0.37 0.28 -1.64 0.00 0.00 178.16 178.13 3fg6 h VAL 569 N -0.49 1.09 -0.72 1.81 2.07 -0.97 -2.26 116.25 116.77 3fg6 h VAL 569 Ca -0.04 -0.25 0.16 0.00 0.82 0.00 0.00 66.70 67.39 3fg6 h VAL 569 Cb 1.04 0.29 -0.13 0.00 -1.52 0.00 0.00 31.29 30.98 3fg6 h VAL 569 CO 0.06 0.13 -0.06 0.00 0.02 0.00 0.00 177.57 177.72 3fg6 h ALA 570 N 1.25 0.65 0.00 1.67 0.00 -1.46 0.14 119.26 121.51 3fg6 h ALA 570 Ca 0.23 0.25 -0.10 0.00 0.00 0.00 0.00 54.91 55.29 3fg6 h ALA 570 Cb -0.01 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fg6 h ALA 570 CO -0.09 -0.42 -0.46 0.66 0.00 0.00 0.00 179.25 178.94 3fg6 h SER 571 N 0.06 0.00 -0.16 0.00 4.64 -1.36 0.13 113.55 116.87 3fg6 h SER 571 Ca 0.38 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.48 3fg6 h SER 571 Cb 0.63 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3fg6 h SER 571 CO -0.67 0.46 -0.74 0.58 -0.87 0.00 0.00 176.83 175.59 3fg6 h VAL 572 N 0.00 1.28 0.00 0.95 2.07 -0.49 -3.04 116.25 117.03 3fg6 h VAL 572 Ca -0.00 -1.94 0.00 0.00 0.82 0.00 0.00 66.70 65.57 3fg6 h VAL 572 Cb 0.86 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3fg6 h VAL 572 CO 0.06 0.61 0.00 0.18 0.02 0.00 0.00 177.57 178.44 3fg6 n LEU 573 N -3.97 0.00 -3.70 2.57 4.77 0.30 -4.92 117.00 112.04 3fg6 n LEU 573 Ca -0.07 0.14 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 3fg6 n LEU 573 Cb 0.73 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3fg6 n LEU 573 CO 0.52 -0.00 -0.10 0.29 -1.33 0.00 0.00 177.39 176.77 3fg6 n LYS 574 N -1.14 -2.70 -4.72 3.23 5.02 -0.60 -4.98 118.16 112.28 3fg6 n LYS 574 Ca 0.19 0.52 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 3fg6 n LYS 574 Cb 0.17 -4.63 -0.16 0.00 -0.02 0.00 0.00 35.03 30.39 3fg6 n LYS 574 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fg6 s LYS 576 N 0.71 3.24 -0.00 0.00 2.20 -1.16 -4.63 119.74 120.10 3fg6 s LYS 576 Ca -0.09 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.02 3fg6 s LYS 576 Cb -0.16 -4.13 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 3fg6 s LYS 576 CO 0.01 -1.65 0.19 0.95 -0.36 0.00 0.00 175.35 174.49 3fg6 s THR 577 N 4.09 5.43 -0.12 3.43 -4.23 -1.26 -1.47 115.64 121.51 3fg6 s THR 577 Ca 0.27 -0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.59 3fg6 s THR 577 Cb -0.14 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 3fg6 s THR 577 CO 0.15 0.30 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.25 3fg6 s LEU 578 N -2.00 3.11 -0.28 4.79 2.96 0.42 -4.93 118.68 122.75 3fg6 s LEU 578 Ca 0.28 -0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 53.87 3fg6 s LEU 578 Cb -0.13 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3fg6 s LEU 578 CO 0.20 0.24 0.58 -0.60 -1.32 0.00 0.00 176.35 175.44 3fg6 s ARG 579 N -0.05 3.99 0.14 1.98 3.52 -1.26 -0.95 118.95 126.31 3fg6 s ARG 579 Ca 0.00 0.33 0.11 0.00 -0.13 0.00 0.00 55.73 56.03 3fg6 s ARG 579 Cb -0.13 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 3fg6 s ARG 579 CO 0.03 -0.46 -0.25 0.96 -0.81 0.00 0.00 175.30 174.77 3fg6 s ILE 580 N 2.46 2.17 0.09 4.11 -4.36 -0.10 -4.97 121.20 120.61 3fg6 s ILE 580 Ca 0.23 -1.77 0.05 0.00 -0.26 0.00 0.00 60.65 58.91 3fg6 s ILE 580 Cb -0.15 -1.94 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 3fg6 s ILE 580 CO 0.10 0.02 -0.03 -1.58 0.24 0.00 0.00 174.94 173.69 3fg6 s GLN 581 N -2.15 2.43 0.07 0.37 0.74 -1.26 -0.94 119.66 118.91 3fg6 s GLN 581 Ca 0.14 -0.89 -0.33 0.00 0.05 0.00 0.00 55.36 54.32 3fg6 s GLN 581 Cb -0.10 -2.47 -0.12 0.00 1.10 0.00 0.00 33.01 31.42 3fg6 s GLN 581 CO 0.06 0.53 1.74 -1.91 -0.55 0.00 0.00 175.29 175.16 3fg6 n GLU 582 N 0.61 2.30 0.00 1.67 2.13 0.03 -0.78 120.64 126.61 3fg6 n GLU 582 Ca -0.12 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3fg6 n GLU 582 Cb 0.52 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.57 3fg6 n GLU 582 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fg6 n GLY 583 N 3.92 3.31 0.84 8.31 0.00 -1.26 -4.84 105.19 115.47 3fg6 n GLY 583 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.24 3fg6 n GLY 583 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fg6 n GLU 584 N -1.54 1.95 -2.11 1.61 4.71 0.04 -5.04 120.64 120.26 3fg6 n GLU 584 Ca 0.00 -3.03 -0.41 0.00 -0.01 0.00 0.00 57.16 53.70 3fg6 n GLU 584 Cb 0.00 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.66 3fg6 n GLU 584 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3fg6 s GLU 585 N -3.10 4.32 1.08 3.49 8.01 -1.16 -4.50 118.70 126.85 3fg6 s GLU 585 Ca 0.41 2.17 -0.15 0.00 0.01 0.00 0.00 54.97 57.41 3fg6 s GLU 585 Cb 0.37 -3.17 0.23 0.00 -4.31 0.00 0.00 34.13 27.25 3fg6 s GLU 585 CO 0.01 -0.37 1.11 -1.25 0.01 0.00 0.00 175.26 174.78 3fg6 s PRO 586 N 0.04 -0.23 0.33 0.39 0.04 -1.26 -4.97 135.00 129.34 3fg6 s PRO 586 Ca 0.60 0.20 0.24 0.00 0.04 0.00 0.00 61.00 62.07 3fg6 s PRO 586 Cb -0.39 -1.69 0.37 0.00 0.04 0.00 0.00 34.50 32.83 3fg6 s PRO 586 CO 0.38 -3.10 1.51 1.49 0.04 0.00 0.00 177.00 177.33 3fg6 h GLU 587 N -2.15 0.00 0.00 4.56 4.57 -2.02 -3.22 114.58 116.32 3fg6 h GLU 587 Ca -0.50 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.63 3fg6 h GLU 587 Cb 1.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3fg6 h GLU 587 CO 0.48 0.00 -0.24 1.49 -1.18 0.00 0.00 179.01 179.56 3fg6 h GLU 588 N 0.00 0.00 -0.66 1.92 4.81 -1.99 -3.00 114.58 115.65 3fg6 h GLU 588 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fg6 h GLU 588 Cb 0.93 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 3fg6 h GLU 588 CO 0.00 0.24 0.41 0.35 -0.73 0.00 0.00 179.01 179.27 3fg6 h PHE 589 N 0.00 0.87 -0.20 0.92 3.04 -1.94 -2.09 116.94 117.54 3fg6 h PHE 589 Ca -0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.79 3fg6 h PHE 589 Cb 1.00 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 3fg6 h PHE 589 CO 0.00 0.58 -0.52 -1.49 -2.02 0.00 0.00 178.31 174.86 3fg6 h TRP 590 N 0.90 0.69 -0.38 0.41 -0.00 -1.70 -2.99 115.95 112.88 3fg6 h TRP 590 Ca 0.24 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.89 58.86 3fg6 h TRP 590 Cb -0.04 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 3fg6 h TRP 590 CO -0.02 0.96 0.11 -0.91 -0.00 0.00 0.00 178.44 178.58 3fg6 h ASN 591 N 0.44 0.50 1.37 -3.49 4.21 -1.37 0.39 115.58 117.63 3fg6 h ASN 591 Ca 0.01 -0.06 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 3fg6 h ASN 591 Cb 1.06 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 3fg6 h ASN 591 CO 0.10 0.49 -0.40 0.28 -1.29 0.00 0.00 177.43 176.61 3fg6 h SER 592 N 0.54 0.00 -0.03 5.81 0.02 -1.30 -2.69 113.55 115.90 3fg6 h SER 592 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3fg6 h SER 592 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3fg6 h SER 592 CO -0.01 0.40 0.00 0.18 -1.14 0.00 0.00 176.83 176.26 3fg6 n LEU 593 N -3.27 1.36 -1.01 5.07 4.77 -1.05 -4.94 117.00 117.92 3fg6 n LEU 593 Ca 0.02 -0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 55.50 3fg6 n LEU 593 Cb 0.64 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.73 3fg6 n LEU 593 CO 0.38 0.23 0.03 0.61 -1.33 0.00 0.00 177.39 177.32 3fg6 n GLY 594 N 1.15 0.67 0.00 -0.72 0.00 -0.94 -3.84 105.19 101.50 3fg6 n GLY 594 Ca 0.19 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3fg6 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 595 N -0.77 2.49 3.60 -0.02 0.00 0.13 -4.95 105.19 105.67 3fg6 n GLY 595 Ca -0.01 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 3fg6 n GLY 595 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fg6 s LYS 596 N -4.05 3.78 0.36 1.61 2.20 -1.26 -4.48 119.74 117.91 3fg6 s LYS 596 Ca 0.00 0.62 0.09 0.00 -0.36 0.00 0.00 55.97 56.31 3fg6 s LYS 596 Cb 0.00 -3.86 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 3fg6 s LYS 596 CO 0.00 -1.21 0.01 0.15 -0.36 0.00 0.00 175.35 173.94 3fg6 s LYS 597 N 4.07 2.02 -0.27 4.03 1.02 -1.26 -5.08 119.74 124.27 3fg6 s LYS 597 Ca 0.45 -1.86 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 3fg6 s LYS 597 Cb -0.09 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.36 3fg6 s LYS 597 CO 0.26 0.07 1.76 -0.51 -0.92 0.00 0.00 175.35 176.01 3fg6 s ASP 598 N -3.72 6.06 0.00 2.83 -0.00 -1.26 -4.63 116.67 115.96 3fg6 s ASP 598 Ca 0.35 1.48 0.00 0.00 -0.00 0.00 0.00 52.55 54.38 3fg6 s ASP 598 Cb 0.03 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.42 3fg6 s ASP 598 CO 0.19 -1.54 0.00 0.00 -0.00 0.00 0.00 175.17 173.82 3fg6 n TYR 599 N 9.60 0.00 -3.39 4.23 0.18 -1.26 -4.54 117.16 121.99 3fg6 n TYR 599 Ca 0.22 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.56 3fg6 n TYR 599 Cb 0.46 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.34 3fg6 n TYR 599 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 3fg6 s GLN 600 N 2.68 2.99 0.00 -3.48 1.11 -1.23 -4.77 119.66 116.95 3fg6 s GLN 600 Ca 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 55.36 54.13 3fg6 s GLN 600 Cb 0.00 -4.09 0.00 0.00 -1.01 0.00 0.00 33.01 27.91 3fg6 s GLN 600 CO 0.00 -0.98 0.59 -2.37 0.01 0.00 0.00 175.29 172.55 3fg6 n THR 601 N 5.23 0.00 -1.86 -0.19 5.66 -1.26 -2.62 114.28 119.23 3fg6 n THR 601 Ca -0.12 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.47 3fg6 n THR 601 Cb 0.45 0.25 -0.01 0.00 -1.55 0.00 0.00 70.33 69.46 3fg6 n THR 601 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3fg6 s SER 602 N -0.32 6.45 0.00 1.09 0.15 -1.26 -4.61 113.70 115.20 3fg6 s SER 602 Ca 0.00 2.91 0.00 0.00 0.70 0.00 0.00 55.95 59.56 3fg6 s SER 602 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3fg6 s SER 602 CO 0.00 -0.82 0.00 -2.65 1.20 0.00 0.00 173.24 170.97 3fg6 n PRO 603 N 1.44 0.00 -0.28 5.44 -0.02 -1.26 -1.26 135.00 139.06 3fg6 n PRO 603 Ca 0.04 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.58 3fg6 n PRO 603 Cb 0.39 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.07 3fg6 n PRO 603 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fg6 h LEU 604 N 0.00 0.46 -1.36 2.45 5.85 -1.92 -1.96 115.31 118.83 3fg6 h LEU 604 Ca 0.00 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3fg6 h LEU 604 Cb 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3fg6 h LEU 604 CO 0.00 0.20 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.95 3fg6 h LEU 605 N 0.58 0.00 0.00 2.25 3.38 -1.48 -3.38 115.31 116.66 3fg6 h LEU 605 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3fg6 h LEU 605 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3fg6 h LEU 605 CO -0.35 0.29 0.00 -0.62 0.09 0.00 0.00 178.44 177.84 3fg6 n GLU 606 N -3.77 0.00 -1.69 1.13 1.02 -0.74 -3.97 120.64 112.62 3fg6 n GLU 606 Ca -0.01 0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 3fg6 n GLU 606 Cb 0.38 -0.74 0.06 0.00 -0.02 0.00 0.00 31.44 31.13 3fg6 n GLU 606 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3fg6 n THR 607 N -0.28 4.42 0.09 2.62 -2.24 -1.26 -0.94 114.28 116.69 3fg6 n THR 607 Ca 0.00 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 3fg6 n THR 607 Cb 0.00 -1.40 0.22 0.00 -2.10 0.00 0.00 70.33 67.05 3fg6 n THR 607 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3fg6 n GLN 608 N -1.50 0.05 -0.82 -0.78 7.27 -1.26 -4.66 117.38 115.67 3fg6 n GLN 608 Ca 0.15 0.47 -0.36 0.00 0.07 0.00 0.00 57.00 57.32 3fg6 n GLN 608 Cb 0.47 -1.87 -0.07 0.00 2.41 0.00 0.00 30.24 31.19 3fg6 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3fg6 n ALA 609 N -1.49 -0.17 -1.79 1.69 0.00 -1.26 -4.82 120.51 112.66 3fg6 n ALA 609 Ca -0.01 0.17 0.02 0.00 0.00 0.00 0.00 53.44 53.62 3fg6 n ALA 609 Cb 0.21 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.64 3fg6 n ALA 609 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3fg6 n GLU 610 N 3.69 1.66 -0.07 0.00 0.00 -1.26 -4.77 120.64 119.89 3fg6 n GLU 610 Ca 0.27 -3.27 -0.00 0.00 0.00 0.00 0.00 57.16 54.16 3fg6 n GLU 610 Cb -0.03 -1.51 0.27 0.00 0.00 0.00 0.00 31.44 30.18 3fg6 n GLU 610 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 3fg6 h ASP 611 N 1.19 0.63 -3.43 -1.84 3.32 -1.97 -3.19 116.42 111.12 3fg6 h ASP 611 Ca 0.02 -0.09 -0.61 0.00 0.02 0.00 0.00 57.03 56.37 3fg6 h ASP 611 Cb 1.18 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.17 3fg6 h ASP 611 CO 0.11 0.60 -0.74 -2.28 -1.72 0.00 0.00 179.24 175.22 3fg6 s HIS 612 N -5.25 2.42 0.82 4.55 2.46 -1.26 -5.14 115.29 113.88 3fg6 s HIS 612 Ca -0.09 -2.30 -0.11 0.00 0.47 0.00 0.00 55.06 53.03 3fg6 s HIS 612 Cb 0.16 -2.15 0.09 0.00 -0.13 0.00 0.00 32.58 30.55 3fg6 s HIS 612 CO 0.77 -0.87 1.13 -1.25 -2.47 0.00 0.00 174.74 172.05 3fg6 s PRO 613 N 1.09 1.78 0.41 2.88 0.04 -1.21 -4.75 135.00 135.23 3fg6 s PRO 613 Ca 0.12 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 3fg6 s PRO 613 Cb -0.20 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 3fg6 s PRO 613 CO -0.14 -2.05 1.30 -1.25 0.04 0.00 0.00 177.00 174.90 3fg6 s PRO 614 N -4.60 3.95 -0.04 0.56 0.04 -1.26 -4.85 135.00 128.81 3fg6 s PRO 614 Ca 0.66 2.15 0.02 0.00 0.04 0.00 0.00 61.00 63.87 3fg6 s PRO 614 Cb -0.21 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.59 3fg6 s PRO 614 CO 0.54 -0.50 -0.08 1.03 0.04 0.00 0.00 177.00 178.03 3fg6 s ARG 615 N -2.26 1.05 -0.10 4.56 0.52 -0.86 -5.01 118.95 116.85 3fg6 s ARG 615 Ca 0.57 -0.27 0.01 0.00 -0.52 0.00 0.00 55.73 55.51 3fg6 s ARG 615 Cb -0.38 -0.96 -0.02 0.00 0.52 0.00 0.00 34.95 34.11 3fg6 s ARG 615 CO 0.49 0.05 -0.12 -1.17 0.02 0.00 0.00 175.30 174.57 3fg6 s LEU 616 N 0.44 2.79 0.03 2.53 2.96 -1.26 -1.08 118.68 125.08 3fg6 s LEU 616 Ca -0.07 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3fg6 s LEU 616 Cb -0.11 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 3fg6 s LEU 616 CO 0.01 0.23 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.74 3fg6 s TYR 617 N -0.05 1.97 -0.35 5.38 1.51 0.11 -0.82 117.35 125.10 3fg6 s TYR 617 Ca -0.02 -0.38 -0.13 0.00 -1.01 0.00 0.00 57.07 55.53 3fg6 s TYR 617 Cb -0.14 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3fg6 s TYR 617 CO 0.04 0.06 0.24 0.20 -1.11 0.00 0.00 175.55 174.98 3fg6 s GLY 618 N -1.00 1.96 -0.28 0.71 0.00 0.15 -1.05 107.32 107.80 3fg6 s GLY 618 Ca 0.09 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.28 3fg6 s GLY 618 CO 0.01 0.79 0.10 0.00 0.00 0.00 0.00 173.10 173.99 3fg6 s SER 620 N 1.59 0.32 -0.05 0.00 0.15 -1.04 -1.77 113.70 112.88 3fg6 s SER 620 Ca 0.05 -0.99 0.13 0.00 0.70 0.00 0.00 55.95 55.84 3fg6 s SER 620 Cb -0.16 0.28 0.25 0.00 -1.71 0.00 0.00 66.02 64.68 3fg6 s SER 620 CO 0.04 -0.70 1.11 -0.46 1.20 0.00 0.00 173.24 174.44 3fg6 n ASN 621 N -0.02 0.98 0.29 5.45 2.04 -1.26 -1.15 115.26 121.58 3fg6 n ASN 621 Ca -0.11 -2.47 0.19 0.00 -0.44 0.00 0.00 54.58 51.75 3fg6 n ASN 621 Cb 0.62 -0.32 0.86 0.00 -2.53 0.00 0.00 39.78 38.42 3fg6 n ASN 621 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3fg6 h LYS 622 N 0.47 0.00 -0.46 -3.83 2.10 -1.97 -1.90 116.57 110.98 3fg6 h LYS 622 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3fg6 h LYS 622 Cb 1.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 3fg6 h LYS 622 CO 0.03 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.73 3fg6 n THR 623 N -2.99 0.61 0.00 0.07 -2.24 -1.26 -4.97 114.28 103.49 3fg6 n THR 623 Ca -0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3fg6 n THR 623 Cb 0.21 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 3fg6 n THR 623 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg6 n GLY 624 N 1.31 2.20 3.80 3.38 0.00 -0.72 -4.99 105.19 110.19 3fg6 n GLY 624 Ca 0.17 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3fg6 n GLY 624 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg6 s ARG 625 N 0.00 3.62 -0.43 1.61 1.81 -1.26 -4.95 118.95 119.36 3fg6 s ARG 625 Ca 0.00 1.25 -0.26 0.00 -1.72 0.00 0.00 55.73 55.00 3fg6 s ARG 625 Cb 0.00 -2.07 0.02 0.00 -0.45 0.00 0.00 34.95 32.45 3fg6 s ARG 625 CO 0.00 -0.56 0.94 0.12 -0.68 0.00 0.00 175.30 175.12 3fg6 s PHE 626 N -2.25 2.97 -0.09 -0.53 5.36 -1.26 -4.39 117.98 117.80 3fg6 s PHE 626 Ca 0.65 0.56 0.05 0.00 -0.96 0.00 0.00 56.93 57.23 3fg6 s PHE 626 Cb -0.15 -3.89 -0.00 0.00 -0.34 0.00 0.00 43.02 38.64 3fg6 s PHE 626 CO 0.28 -1.01 -0.24 0.14 -1.46 0.00 0.00 175.22 172.93 3fg6 s VAL 627 N 3.71 2.04 -0.24 3.12 -7.23 -0.30 -5.00 120.40 116.50 3fg6 s VAL 627 Ca 0.38 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.43 3fg6 s VAL 627 Cb -0.11 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3fg6 s VAL 627 CO 0.24 0.56 0.15 -0.63 -0.31 0.00 0.00 175.10 175.11 3fg6 s ILE 628 N 0.18 5.22 0.02 -0.62 1.01 -1.26 -2.51 121.20 123.24 3fg6 s ILE 628 Ca -0.14 0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3fg6 s ILE 628 Cb -0.17 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3fg6 s ILE 628 CO 0.07 0.34 -0.12 -1.83 0.00 0.00 0.00 174.94 173.40 3fg6 s GLU 629 N 1.13 0.89 0.25 2.79 -1.05 -0.64 -4.98 118.70 117.09 3fg6 s GLU 629 Ca 0.07 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 54.01 3fg6 s GLU 629 Cb -0.14 -0.87 -0.09 0.00 -0.44 0.00 0.00 34.13 32.59 3fg6 s GLU 629 CO 0.05 0.22 0.96 -2.00 0.95 0.00 0.00 175.26 175.45 3fg6 s GLU 630 N -0.75 4.80 -0.16 -4.83 2.12 -1.26 0.30 118.70 118.92 3fg6 s GLU 630 Ca 0.02 1.52 -0.29 0.00 0.36 0.00 0.00 54.97 56.58 3fg6 s GLU 630 Cb -0.06 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 3fg6 s GLU 630 CO 0.00 0.45 1.13 0.42 -0.54 0.00 0.00 175.26 176.73 3fg6 s ILE 631 N -1.21 4.50 0.32 -3.70 -1.09 0.00 -4.85 121.20 115.17 3fg6 s ILE 631 Ca 0.42 1.80 -0.18 0.00 -2.23 0.00 0.00 60.65 60.46 3fg6 s ILE 631 Cb -0.26 -4.16 -0.09 0.00 -1.58 0.00 0.00 42.46 36.36 3fg6 s ILE 631 CO 0.33 -0.10 0.80 -2.16 -1.23 0.00 0.00 174.94 172.57 3fg6 s PRO 632 N 2.90 4.17 2.38 2.79 0.04 -1.26 -4.73 135.00 141.28 3fg6 s PRO 632 Ca 0.50 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.42 3fg6 s PRO 632 Cb -0.19 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3fg6 s PRO 632 CO 0.14 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.77 3fg6 n GLY 633 N -0.08 -1.00 3.77 0.56 0.00 -1.26 -4.73 105.19 102.45 3fg6 n GLY 633 Ca 0.03 -1.21 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 3fg6 n GLY 633 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg6 s GLU 634 N 0.00 4.26 0.18 1.61 0.41 -1.26 -5.04 118.70 118.87 3fg6 s GLU 634 Ca 0.00 2.23 0.09 0.00 -0.41 0.00 0.00 54.97 56.88 3fg6 s GLU 634 Cb 0.00 -3.00 -0.04 0.00 -1.78 0.00 0.00 34.13 29.30 3fg6 s GLU 634 CO 0.00 -0.27 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.83 3fg6 s PHE 635 N -1.16 2.67 0.32 1.61 -0.12 -1.26 -4.83 117.98 115.21 3fg6 s PHE 635 Ca 0.51 -0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.25 3fg6 s PHE 635 Cb -0.40 -1.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.67 3fg6 s PHE 635 CO 0.53 0.52 0.25 0.25 -0.05 0.00 0.00 175.22 176.72 3fg6 n THR 636 N -0.04 0.00 -0.31 -4.49 -2.24 -1.26 -4.65 114.28 101.30 3fg6 n THR 636 Ca -0.10 -2.31 0.09 0.00 -2.27 0.00 0.00 64.05 59.46 3fg6 n THR 636 Cb 0.56 1.11 0.26 0.00 -2.10 0.00 0.00 70.33 70.15 3fg6 n THR 636 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3fg6 h GLN 637 N 0.00 0.59 0.00 -0.78 4.15 -1.92 -1.28 115.11 115.87 3fg6 h GLN 637 Ca -0.23 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.15 3fg6 h GLN 637 Cb 1.14 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.70 3fg6 h GLN 637 CO 0.34 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.39 3fg6 n ASP 638 N -4.88 0.08 0.23 -0.69 9.92 -1.26 -2.01 116.55 117.94 3fg6 n ASP 638 Ca 0.19 0.52 0.14 0.00 -0.53 0.00 0.00 54.79 55.11 3fg6 n ASP 638 Cb 0.50 -0.53 0.42 0.00 -0.64 0.00 0.00 41.12 40.86 3fg6 n ASP 638 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3fg6 h ASP 639 N 0.00 0.00 -2.37 -2.24 3.32 -1.64 -3.43 116.42 110.07 3fg6 h ASP 639 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fg6 h ASP 639 Cb 0.31 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3fg6 h ASP 639 CO 0.00 0.00 1.26 -0.76 -1.72 0.00 0.00 179.24 178.02 3fg6 s LEU 640 N -5.97 3.36 -0.42 1.55 1.43 -0.85 -4.92 118.68 112.86 3fg6 s LEU 640 Ca 0.05 0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 53.37 3fg6 s LEU 640 Cb 0.07 -2.88 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 3fg6 s LEU 640 CO 0.60 -2.04 1.94 0.00 0.23 0.00 0.00 176.35 177.07 3fg6 s ALA 641 N 7.70 2.50 0.54 4.21 0.00 -1.26 -4.84 121.76 130.61 3fg6 s ALA 641 Ca 0.65 0.02 0.36 0.00 0.00 0.00 0.00 51.96 52.99 3fg6 s ALA 641 Cb -0.14 -4.14 1.54 0.00 0.00 0.00 0.00 23.12 20.37 3fg6 s ALA 641 CO 0.24 -3.24 1.80 1.49 0.00 0.00 0.00 175.76 176.06 3fg6 h GLU 642 N 14.54 0.02 -0.53 0.00 4.81 -1.93 -0.97 114.58 130.52 3fg6 h GLU 642 Ca -0.31 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3fg6 h GLU 642 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3fg6 h GLU 642 CO 1.09 0.01 0.00 -0.40 -0.73 0.00 0.00 179.01 178.98 3fg6 n ASP 643 N -4.20 4.33 -0.72 1.04 5.75 -1.26 -2.27 116.55 119.22 3fg6 n ASP 643 Ca 0.25 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 3fg6 n ASP 643 Cb 1.23 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 3fg6 n ASP 643 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3fg6 n ASP 644 N 0.74 0.00 -4.39 -1.12 10.43 -0.37 -3.90 116.55 117.94 3fg6 n ASP 644 Ca 0.23 -0.72 -0.32 0.00 2.57 0.00 0.00 54.79 56.54 3fg6 n ASP 644 Cb 0.82 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.63 3fg6 n ASP 644 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fg6 s VAL 645 N -1.75 2.72 -0.11 2.53 1.01 -0.73 -1.83 120.40 122.24 3fg6 s VAL 645 Ca 0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3fg6 s VAL 645 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3fg6 s VAL 645 CO 0.00 0.57 -0.16 -0.04 0.00 0.00 0.00 175.10 175.47 3fg6 s MET 646 N -0.41 3.20 -0.28 2.72 1.00 0.23 0.03 119.30 125.79 3fg6 s MET 646 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 55.69 54.89 3fg6 s MET 646 Cb -0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 34.83 32.15 3fg6 s MET 646 CO 0.02 0.25 0.17 -0.51 0.00 0.00 0.00 175.02 174.95 3fg6 s LEU 647 N 0.22 3.95 -0.36 -0.03 1.43 -0.22 -0.03 118.68 123.64 3fg6 s LEU 647 Ca -0.10 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3fg6 s LEU 647 Cb -0.16 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.06 3fg6 s LEU 647 CO 0.06 -0.07 0.12 -0.22 0.23 0.00 0.00 176.35 176.47 3fg6 s LEU 648 N 1.73 4.65 -0.72 1.79 2.96 0.10 0.04 118.68 129.23 3fg6 s LEU 648 Ca 0.07 -1.63 -0.25 0.00 -0.22 0.00 0.00 54.13 52.10 3fg6 s LEU 648 Cb -0.16 -1.80 0.05 0.00 0.50 0.00 0.00 46.19 44.78 3fg6 s LEU 648 CO 0.09 -0.41 1.16 -0.62 -1.32 0.00 0.00 176.35 175.24 3fg6 s ASP 649 N 1.58 6.19 -0.09 3.68 2.15 -0.24 -0.65 116.67 129.29 3fg6 s ASP 649 Ca 0.02 -0.73 0.10 0.00 0.43 0.00 0.00 52.55 52.37 3fg6 s ASP 649 Cb -0.21 -2.50 0.45 0.00 -0.30 0.00 0.00 42.92 40.36 3fg6 s ASP 649 CO -0.02 -1.65 1.28 0.00 -0.17 0.00 0.00 175.17 174.60 3fg6 n ALA 650 N 8.63 2.99 0.00 3.66 0.00 0.31 -2.02 120.51 134.08 3fg6 n ALA 650 Ca 0.02 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3fg6 n ALA 650 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3fg6 n ALA 650 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3fg6 n TRP 651 N 0.53 0.00 0.50 0.00 -0.00 -1.26 -3.99 117.44 113.22 3fg6 n TRP 651 Ca 0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.77 3fg6 n TRP 651 Cb 0.65 0.00 0.44 0.00 -0.00 0.00 0.00 31.31 32.40 3fg6 n TRP 651 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3fg6 n GLU 652 N 0.00 0.14 -3.59 5.87 0.28 -1.26 -4.82 120.64 117.26 3fg6 n GLU 652 Ca 0.00 0.32 -0.14 0.00 -0.16 0.00 0.00 57.16 57.18 3fg6 n GLU 652 Cb 0.00 -1.75 -0.06 0.00 1.43 0.00 0.00 31.44 31.06 3fg6 n GLU 652 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3fg6 s GLN 653 N -3.19 0.81 -0.18 3.44 0.74 -1.26 -4.30 119.66 115.73 3fg6 s GLN 653 Ca 0.06 0.57 -0.00 0.00 0.05 0.00 0.00 55.36 56.04 3fg6 s GLN 653 Cb 0.10 0.39 0.01 0.00 1.10 0.00 0.00 33.01 34.61 3fg6 s GLN 653 CO 0.40 -0.18 -0.15 0.42 -0.55 0.00 0.00 175.29 175.23 3fg6 s ILE 654 N -0.36 2.53 -0.15 -2.34 1.01 -0.75 -0.53 121.20 120.60 3fg6 s ILE 654 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.75 3fg6 s ILE 654 Cb -0.03 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 3fg6 s ILE 654 CO 0.03 0.51 0.13 -0.36 0.00 0.00 0.00 174.94 175.24 3fg6 s PHE 655 N 1.17 3.52 -0.35 3.97 0.08 0.18 -0.86 117.98 125.68 3fg6 s PHE 655 Ca 0.01 0.44 -0.02 0.00 0.12 0.00 0.00 56.93 57.49 3fg6 s PHE 655 Cb -0.14 -2.02 0.08 0.00 -0.57 0.00 0.00 43.02 40.37 3fg6 s PHE 655 CO -0.06 0.57 0.09 0.42 -0.10 0.00 0.00 175.22 176.14 3fg6 s ILE 656 N -0.52 3.09 -0.32 0.64 1.01 -0.43 -0.72 121.20 123.95 3fg6 s ILE 656 Ca 0.12 -1.73 -0.19 0.00 0.00 0.00 0.00 60.65 58.85 3fg6 s ILE 656 Cb -0.12 -2.96 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3fg6 s ILE 656 CO 0.02 -0.40 0.56 0.86 0.00 0.00 0.00 174.94 175.98 3fg6 s TRP 657 N 1.18 3.20 -0.33 3.97 -0.00 0.96 0.19 118.94 128.12 3fg6 s TRP 657 Ca 0.02 0.40 -0.13 0.00 -0.00 0.00 0.00 56.10 56.38 3fg6 s TRP 657 Cb -0.21 -2.94 -0.02 0.00 -0.00 0.00 0.00 33.47 30.30 3fg6 s TRP 657 CO -0.03 -0.49 0.28 0.42 -0.00 0.00 0.00 176.95 177.14 3fg6 s ILE 658 N 2.49 5.24 0.59 5.86 1.01 0.84 -0.60 121.20 136.64 3fg6 s ILE 658 Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.69 3fg6 s ILE 658 Cb -0.15 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 3fg6 s ILE 658 CO 0.12 0.02 1.09 -0.83 0.00 0.00 0.00 174.94 175.34 3fg6 s GLY 659 N 1.73 2.30 0.12 6.18 0.00 -0.76 -2.09 107.32 114.79 3fg6 s GLY 659 Ca 0.09 0.58 0.07 0.00 0.00 0.00 0.00 44.72 45.46 3fg6 s GLY 659 CO 0.11 0.92 1.20 0.58 0.00 0.00 0.00 173.10 175.91 3fg6 n LYS 660 N -1.88 0.05 -0.31 2.90 2.85 -0.96 -2.43 118.16 118.37 3fg6 n LYS 660 Ca 0.10 0.53 0.07 0.00 -1.05 0.00 0.00 58.31 57.96 3fg6 n LYS 660 Cb 0.52 -1.69 0.11 0.00 -0.65 0.00 0.00 35.03 33.31 3fg6 n LYS 660 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fg6 n ASP 661 N -1.75 1.61 -4.82 -5.58 8.00 -1.12 -5.05 116.55 107.84 3fg6 n ASP 661 Ca -0.00 -2.85 -0.33 0.00 0.71 0.00 0.00 54.79 52.31 3fg6 n ASP 661 Cb 0.04 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.70 3fg6 n ASP 661 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fg6 s ALA 662 N -2.04 3.10 0.87 2.24 0.00 -1.02 -4.59 121.76 120.33 3fg6 s ALA 662 Ca 0.25 0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 3fg6 s ALA 662 Cb 0.22 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.37 3fg6 s ALA 662 CO 0.00 0.17 1.16 -0.80 0.00 0.00 0.00 175.76 176.28 3fg6 s ASN 663 N -2.11 3.22 0.28 0.00 -0.87 -1.26 -4.94 114.94 109.26 3fg6 s ASN 663 Ca 0.59 2.21 0.07 0.00 -1.57 0.00 0.00 52.86 54.17 3fg6 s ASN 663 Cb -0.11 -2.57 0.40 0.00 -0.02 0.00 0.00 41.25 38.95 3fg6 s ASN 663 CO 0.15 -2.91 1.65 -0.33 -2.57 0.00 0.00 177.10 173.10 3fg6 h GLU 664 N -1.55 0.17 -0.35 -0.60 4.39 -2.00 -2.88 114.58 111.76 3fg6 h GLU 664 Ca -0.44 -0.09 -0.16 0.00 0.34 0.00 0.00 59.36 59.01 3fg6 h GLU 664 Cb 1.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3fg6 h GLU 664 CO 0.43 0.64 -0.40 -0.39 -1.16 0.00 0.00 179.01 178.13 3fg6 h VAL 665 N 0.13 1.28 -0.59 3.13 -1.51 -1.98 -1.73 116.25 114.98 3fg6 h VAL 665 Ca 0.00 -1.58 0.06 0.00 -1.23 0.00 0.00 66.70 63.96 3fg6 h VAL 665 Cb 0.94 1.43 -0.05 0.00 -2.13 0.00 0.00 31.29 31.48 3fg6 h VAL 665 CO 0.07 0.52 0.30 -0.33 -1.23 0.00 0.00 177.57 176.91 3fg6 h GLU 666 N 0.71 0.55 -0.19 5.19 5.08 -1.93 0.61 114.58 124.60 3fg6 h GLU 666 Ca 0.06 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3fg6 h GLU 666 Cb 0.98 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3fg6 h GLU 666 CO 0.09 0.36 0.11 0.87 -1.00 0.00 0.00 179.01 179.44 3fg6 h LYS 667 N 0.56 0.25 0.00 2.33 1.57 -1.36 -1.67 116.57 118.26 3fg6 h LYS 667 Ca 0.27 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 3fg6 h LYS 667 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3fg6 h LYS 667 CO -0.19 0.23 -0.73 0.87 -0.57 0.00 0.00 179.45 179.06 3fg6 h LYS 668 N 0.21 0.00 0.00 3.15 6.56 -0.84 -2.63 116.57 123.01 3fg6 h LYS 668 Ca 0.07 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.46 3fg6 h LYS 668 Cb 0.05 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 3fg6 h LYS 668 CO -0.01 0.73 -0.94 0.93 -2.06 0.00 0.00 179.45 178.09 3fg6 h GLU 669 N 0.00 0.00 0.95 3.15 4.39 0.23 -2.85 114.58 120.46 3fg6 h GLU 669 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 3fg6 h GLU 669 Cb 1.51 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.16 3fg6 h GLU 669 CO 0.09 0.92 -0.49 0.77 -1.16 0.00 0.00 179.01 179.15 3fg6 h SER 670 N 0.00 -1.17 -0.85 1.42 0.02 -1.31 -2.22 113.55 109.43 3fg6 h SER 670 Ca -0.01 0.05 0.16 0.00 -0.84 0.00 0.00 61.79 61.14 3fg6 h SER 670 Cb 1.72 0.31 -0.16 0.00 0.14 0.00 0.00 62.40 64.42 3fg6 h SER 670 CO 0.12 -0.80 -0.24 -0.11 -1.14 0.00 0.00 176.83 174.65 3fg6 n LEU 671 N -5.66 -0.37 -0.10 5.07 0.00 -1.00 -0.19 117.00 114.76 3fg6 n LEU 671 Ca -0.16 1.47 -0.10 0.00 0.00 0.00 0.00 56.01 57.21 3fg6 n LEU 671 Cb 0.53 -0.42 -0.03 0.00 0.00 0.00 0.00 43.42 43.50 3fg6 n LEU 671 CO 0.39 -1.39 0.83 0.11 0.00 0.00 0.00 177.39 177.34 3fg6 h LYS 672 N 0.00 0.47 0.00 1.96 1.57 -1.51 -2.58 116.57 116.49 3fg6 h LYS 672 Ca 0.38 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3fg6 h LYS 672 Cb 0.59 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3fg6 h LYS 672 CO -0.87 0.56 -0.11 0.77 -0.57 0.00 0.00 179.45 179.23 3fg6 h SER 673 N 0.31 0.00 0.86 0.86 0.02 0.08 -1.45 113.55 114.22 3fg6 h SER 673 Ca 0.09 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.84 3fg6 h SER 673 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3fg6 h SER 673 CO 0.00 0.11 -1.23 0.00 -1.14 0.00 0.00 176.83 174.57 3fg6 h ALA 674 N 1.89 0.61 -0.11 3.77 0.00 -0.86 -1.87 119.26 122.70 3fg6 h ALA 674 Ca -0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 54.91 53.72 3fg6 h ALA 674 Cb 0.45 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fg6 h ALA 674 CO 0.01 1.16 -0.75 0.87 0.00 0.00 0.00 179.25 180.55 3fg6 h LYS 675 N 0.00 0.56 0.01 0.00 1.57 -0.99 -2.50 116.57 115.21 3fg6 h LYS 675 Ca -0.13 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.19 3fg6 h LYS 675 Cb 1.73 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.14 3fg6 h LYS 675 CO 0.08 1.08 -0.00 1.98 -0.57 0.00 0.00 179.45 182.02 3fg6 h MET 676 N 0.38 -0.01 -0.31 3.15 4.05 -1.38 -1.67 114.93 119.13 3fg6 h MET 676 Ca -0.04 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.47 3fg6 h MET 676 Cb 1.35 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.14 3fg6 h MET 676 CO 0.14 0.31 0.51 -0.92 0.23 0.00 0.00 176.91 177.17 3fg6 h TYR 677 N -0.33 0.00 0.05 1.39 3.20 -1.33 -0.70 116.97 119.25 3fg6 h TYR 677 Ca -0.00 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 3fg6 h TYR 677 Cb 0.32 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3fg6 h TYR 677 CO 0.03 0.00 -1.92 1.28 -1.64 0.00 0.00 178.16 175.91 3fg6 n LEU 678 N -3.33 1.63 0.26 2.82 4.77 -0.95 -4.12 117.00 118.08 3fg6 n LEU 678 Ca 0.05 0.27 0.17 0.00 -0.03 0.00 0.00 56.01 56.47 3fg6 n LEU 678 Cb 0.65 -0.38 0.72 0.00 -2.33 0.00 0.00 43.42 42.08 3fg6 n LEU 678 CO 0.21 0.62 0.99 -0.08 -1.33 0.00 0.00 177.39 177.79 3fg6 h GLU 679 N 0.03 0.00 -3.57 3.23 4.57 -0.18 -3.41 114.58 115.25 3fg6 h GLU 679 Ca -0.38 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.33 3fg6 h GLU 679 Cb 2.03 0.00 -0.39 0.00 -0.16 0.00 0.00 28.75 30.23 3fg6 h GLU 679 CO 0.07 0.00 -0.76 0.95 -1.18 0.00 0.00 179.01 178.09 3fg6 s THR 680 N -3.66 0.38 -0.30 0.32 -4.23 -0.90 -5.08 115.64 102.17 3fg6 s THR 680 Ca 0.01 -0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.20 3fg6 s THR 680 Cb 0.09 -0.73 0.17 0.00 1.34 0.00 0.00 72.50 73.38 3fg6 s THR 680 CO 0.49 0.02 1.02 -0.62 -0.54 0.00 0.00 174.62 174.98 3fg6 s ASP 681 N 1.95 -0.53 0.00 3.99 -1.08 -1.26 -4.72 116.67 115.01 3fg6 s ASP 681 Ca 0.02 0.55 0.03 0.00 -0.52 0.00 0.00 52.55 52.63 3fg6 s ASP 681 Cb -0.15 1.53 0.17 0.00 -1.46 0.00 0.00 42.92 43.01 3fg6 s ASP 681 CO -0.07 -0.10 0.84 -0.81 0.52 0.00 0.00 175.17 175.55 3fg6 n PRO 682 N 5.13 0.06 -2.78 4.34 -0.04 -1.26 -1.89 135.00 138.57 3fg6 n PRO 682 Ca -0.08 0.18 -0.32 0.00 -0.04 0.00 0.00 63.50 63.24 3fg6 n PRO 682 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 3fg6 n PRO 682 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fg6 n SER 683 N -1.20 5.52 0.00 3.54 3.41 -1.26 -5.09 113.62 118.54 3fg6 n SER 683 Ca 0.02 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 3fg6 n SER 683 Cb 0.02 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 3fg6 n SER 683 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg6 n GLY 684 N -0.22 0.84 0.00 5.00 0.00 -0.79 -4.53 105.19 105.50 3fg6 n GLY 684 Ca 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3fg6 n GLY 684 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fg6 n ARG 685 N 0.00 -0.23 -3.45 1.61 1.85 -1.26 -4.38 116.66 110.79 3fg6 n ARG 685 Ca 0.00 -0.50 -0.31 0.00 -1.00 0.00 0.00 57.85 56.04 3fg6 n ARG 685 Cb 0.00 -0.86 0.03 0.00 -1.05 0.00 0.00 32.46 30.58 3fg6 n ARG 685 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3fg6 n ASP 686 N -0.06 -5.81 -3.98 2.89 9.92 -1.26 -2.97 116.55 115.27 3fg6 n ASP 686 Ca 0.00 -0.21 -0.38 0.00 -0.53 0.00 0.00 54.79 53.67 3fg6 n ASP 686 Cb 0.11 -2.32 0.01 0.00 -0.64 0.00 0.00 41.12 38.28 3fg6 n ASP 686 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 3fg6 n LYS 687 N -0.72 -1.00 0.00 -1.24 2.85 -1.26 -1.66 118.16 115.14 3fg6 n LYS 687 Ca -0.10 0.23 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 3fg6 n LYS 687 Cb 0.65 -3.37 0.00 0.00 -0.65 0.00 0.00 35.03 31.66 3fg6 n LYS 687 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3fg6 n ARG 688 N -4.67 0.00 -1.88 -1.58 0.63 -1.22 -4.70 116.66 103.24 3fg6 n ARG 688 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3fg6 n ARG 688 Cb 0.60 -0.36 0.00 0.00 0.45 0.00 0.00 32.46 33.16 3fg6 n ARG 688 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3fg6 n THR 689 N 0.00-11.16 -1.32 5.15 -1.04 -0.66 -4.97 114.28 100.27 3fg6 n THR 689 Ca 0.00 2.64 -0.36 0.00 -2.04 0.00 0.00 64.05 64.29 3fg6 n THR 689 Cb 0.00 -5.11 0.08 0.00 -1.82 0.00 0.00 70.33 63.48 3fg6 n THR 689 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg6 n PRO 690 N 1.48 0.43 -3.52 -2.82 -0.02 -1.26 -4.84 135.00 124.45 3fg6 n PRO 690 Ca 0.00 0.20 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 3fg6 n PRO 690 Cb 0.00 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 3fg6 n PRO 690 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3fg6 s ILE 691 N -1.86 0.09 -0.18 4.25 2.07 -1.26 -1.81 121.20 122.51 3fg6 s ILE 691 Ca 0.71 -1.20 -0.12 0.00 -1.41 0.00 0.00 60.65 58.62 3fg6 s ILE 691 Cb -0.35 -1.09 -0.05 0.00 0.13 0.00 0.00 42.46 41.11 3fg6 s ILE 691 CO 0.53 -0.83 0.23 -0.69 -1.91 0.00 0.00 174.94 172.26 3fg6 s VAL 692 N 1.63 5.35 -0.18 4.00 1.01 -0.04 -4.97 120.40 127.21 3fg6 s VAL 692 Ca 0.13 0.41 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 3fg6 s VAL 692 Cb -0.19 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3fg6 s VAL 692 CO -0.21 0.41 0.30 -0.63 0.00 0.00 0.00 175.10 174.97 3fg6 s ILE 693 N 0.43 5.29 -0.09 2.22 1.01 -1.26 -1.32 121.20 127.48 3fg6 s ILE 693 Ca 0.13 0.55 0.03 0.00 0.00 0.00 0.00 60.65 61.36 3fg6 s ILE 693 Cb -0.12 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.72 3fg6 s ILE 693 CO 0.02 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.51 3fg6 s ILE 694 N 0.70 1.57 0.21 2.92 1.09 0.13 -4.94 121.20 122.87 3fg6 s ILE 694 Ca 0.16 -0.73 -0.13 0.00 -1.10 0.00 0.00 60.65 58.86 3fg6 s ILE 694 Cb -0.13 -1.40 -0.07 0.00 -1.06 0.00 0.00 42.46 39.79 3fg6 s ILE 694 CO 0.05 0.45 0.59 -0.54 -0.10 0.00 0.00 174.94 175.39 3fg6 s LYS 695 N 0.61 3.94 0.30 2.79 -0.14 -1.26 -0.11 119.74 125.87 3fg6 s LYS 695 Ca -0.14 0.47 -0.29 0.00 -1.36 0.00 0.00 55.97 54.64 3fg6 s LYS 695 Cb -0.16 -2.75 -0.11 0.00 -1.68 0.00 0.00 37.83 33.13 3fg6 s LYS 695 CO 0.05 0.37 1.45 -1.14 -0.76 0.00 0.00 175.35 175.31 3fg6 s GLN 696 N -2.42 4.22 0.00 1.68 0.74 -0.89 -1.70 119.66 121.30 3fg6 s GLN 696 Ca 0.44 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.25 3fg6 s GLN 696 Cb -0.13 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.93 3fg6 s GLN 696 CO 0.20 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 3fg6 n GLY 697 N 1.51 2.92 2.32 2.59 0.00 -1.26 -4.81 105.19 108.46 3fg6 n GLY 697 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3fg6 n GLY 697 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg6 n HIS 698 N -2.00 3.13 -2.87 1.61 8.25 -0.69 -5.05 115.22 117.60 3fg6 n HIS 698 Ca 0.00 -2.72 -0.41 0.00 -0.26 0.00 0.00 57.72 54.33 3fg6 n HIS 698 Cb 0.00 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 3fg6 n HIS 698 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3fg6 s GLU 699 N -3.61 4.48 0.60 -0.41 8.01 -1.23 -4.34 118.70 122.21 3fg6 s GLU 699 Ca 0.50 1.16 -0.16 0.00 0.01 0.00 0.00 54.97 56.48 3fg6 s GLU 699 Cb 0.41 -3.47 -0.03 0.00 -4.31 0.00 0.00 34.13 26.74 3fg6 s GLU 699 CO -0.11 -0.03 1.07 -1.25 0.01 0.00 0.00 175.26 174.95 3fg6 s PRO 700 N 1.04 3.22 0.47 0.39 0.04 -1.26 -4.84 135.00 134.06 3fg6 s PRO 700 Ca 0.45 1.25 0.17 0.00 0.04 0.00 0.00 61.00 62.91 3fg6 s PRO 700 Cb -0.19 -2.02 1.16 0.00 0.04 0.00 0.00 34.50 33.49 3fg6 s PRO 700 CO 0.22 -0.90 2.00 -1.35 0.04 0.00 0.00 177.00 177.01 3fg6 h PRO 701 N 0.38 0.24 0.00 0.56 0.11 -1.91 -1.15 132.00 130.22 3fg6 h PRO 701 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3fg6 h PRO 701 Cb 1.23 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fg6 h PRO 701 CO 0.57 0.16 -0.12 0.00 -0.21 0.00 0.00 178.00 178.40 3fg6 h THR 702 N 0.25 0.65 0.07 -1.15 1.03 -1.92 -1.43 112.91 110.41 3fg6 h THR 702 Ca 0.25 -0.49 -0.33 0.00 -0.01 0.00 0.00 66.41 65.83 3fg6 h THR 702 Cb 0.64 1.31 -0.03 0.00 -1.07 0.00 0.00 68.15 69.00 3fg6 h THR 702 CO -0.05 0.11 -1.80 0.33 -0.01 0.00 0.00 175.52 174.10 3fg6 n PHE 703 N -3.77 1.07 0.26 0.00 7.35 -0.54 -4.35 117.46 117.48 3fg6 n PHE 703 Ca -0.02 0.30 0.08 0.00 -0.76 0.00 0.00 57.45 57.05 3fg6 n PHE 703 Cb 0.22 -1.13 0.66 0.00 0.35 0.00 0.00 39.48 39.58 3fg6 n PHE 703 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3fg6 h THR 704 N -0.33 0.97 0.00 -2.13 2.02 -1.08 -2.97 112.91 109.39 3fg6 h THR 704 Ca -0.42 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3fg6 h THR 704 Cb 1.77 1.01 -0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3fg6 h THR 704 CO -0.04 0.01 -0.02 1.23 0.37 0.00 0.00 175.52 177.06 3fg6 h GLY 705 N 0.02 0.00 1.45 2.16 0.00 -1.46 -2.37 103.07 102.87 3fg6 h GLY 705 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fg6 h GLY 705 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 3fg6 n TRP 706 N -3.95 0.00 -4.23 5.60 7.02 -1.12 -4.69 117.44 116.07 3fg6 n TRP 706 Ca -0.03 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.10 3fg6 n TRP 706 Cb 0.11 -0.22 -0.08 0.00 -2.42 0.00 0.00 31.31 28.69 3fg6 n TRP 706 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3fg6 s PHE 707 N -2.45 3.29 -0.86 -5.99 0.40 -0.89 -5.01 117.98 106.46 3fg6 s PHE 707 Ca 0.28 0.29 -0.25 0.00 -0.60 0.00 0.00 56.93 56.66 3fg6 s PHE 707 Cb 0.18 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.92 3fg6 s PHE 707 CO 0.38 0.55 1.34 -1.17 0.70 0.00 0.00 175.22 177.02 3fg6 s LEU 708 N -0.94 3.37 0.00 -0.37 2.96 -1.26 -4.68 118.68 117.76 3fg6 s LEU 708 Ca 0.14 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 53.13 3fg6 s LEU 708 Cb -0.12 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.02 3fg6 s LEU 708 CO 0.03 -1.67 0.00 0.61 -1.32 0.00 0.00 176.35 174.00 3fg6 n GLY 709 N 6.03 -3.46 2.95 7.98 0.00 -1.26 -4.93 105.19 112.49 3fg6 n GLY 709 Ca 0.16 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 3fg6 n GLY 709 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fg6 s TRP 710 N -0.31 2.17 -0.58 1.61 -0.11 -1.26 -4.71 118.94 115.75 3fg6 s TRP 710 Ca 0.00 -1.43 -0.26 0.00 1.22 0.00 0.00 56.10 55.63 3fg6 s TRP 710 Cb 0.00 -1.52 0.04 0.00 -1.50 0.00 0.00 33.47 30.48 3fg6 s TRP 710 CO 0.00 -0.70 1.05 0.34 -4.62 0.00 0.00 176.95 173.02 3fg6 s ASP 711 N 1.48 6.36 0.13 5.86 2.15 -1.26 -4.77 116.67 126.62 3fg6 s ASP 711 Ca -0.01 -0.23 -0.16 0.00 0.43 0.00 0.00 52.55 52.58 3fg6 s ASP 711 Cb -0.16 -2.48 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 3fg6 s ASP 711 CO -0.08 -1.36 1.70 -1.28 -0.17 0.00 0.00 175.17 173.98 3fg6 h SER 712 N 9.44 0.50 0.00 -0.34 0.87 -2.02 -2.83 113.55 119.17 3fg6 h SER 712 Ca -0.26 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 3fg6 h SER 712 Cb 1.07 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3fg6 h SER 712 CO 1.14 0.50 0.00 -0.24 -0.53 0.00 0.00 176.83 177.70 3fg6 n SER 713 N -4.70 0.87 -0.02 6.23 2.88 -1.26 -4.09 113.62 113.53 3fg6 n SER 713 Ca -0.00 -1.81 -0.13 0.00 -1.33 0.00 0.00 58.87 55.60 3fg6 n SER 713 Cb 0.12 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 63.04 3fg6 n SER 713 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fg6 h LYS 714 N 0.09 -0.01 -0.01 -1.46 3.64 -1.92 -3.55 116.57 113.35 3fg6 h LYS 714 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fg6 h LYS 714 Cb 0.43 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3fg6 h LYS 714 CO 0.00 0.55 0.00 0.91 -2.27 0.00 0.00 179.45 178.64