#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 3.97 -0.10 1.61 2.20 -1.09 -4.97 119.74 121.37 3fg6 s LYS 397 Ca 0.00 0.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.85 3fg6 s LYS 397 Cb 0.00 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3fg6 s LYS 397 CO 0.00 0.52 -0.20 0.08 -0.36 0.00 0.00 175.35 175.38 3fg6 s VAL 398 N -0.42 2.43 -0.04 4.02 1.01 -1.26 -1.91 120.40 124.23 3fg6 s VAL 398 Ca 0.20 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3fg6 s VAL 398 Cb -0.14 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3fg6 s VAL 398 CO 0.08 0.55 -0.16 -1.61 0.00 0.00 0.00 175.10 173.97 3fg6 s GLU 399 N 0.16 1.67 -0.09 2.72 2.02 -0.28 -5.00 118.70 119.91 3fg6 s GLU 399 Ca -0.11 -0.55 0.03 0.00 0.02 0.00 0.00 54.97 54.35 3fg6 s GLU 399 Cb -0.16 -1.45 0.01 0.00 0.10 0.00 0.00 34.13 32.63 3fg6 s GLU 399 CO 0.06 0.21 -0.18 0.42 0.02 0.00 0.00 175.26 175.79 3fg6 s ILE 400 N 0.11 1.63 -0.00 -1.63 1.01 -1.26 -0.31 121.20 120.74 3fg6 s ILE 400 Ca -0.05 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 59.93 3fg6 s ILE 400 Cb -0.11 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 3fg6 s ILE 400 CO 0.02 0.46 -0.26 0.26 0.00 0.00 0.00 174.94 175.42 3fg6 s TRP 401 N 0.57 2.33 0.22 3.97 0.51 -0.49 -2.84 118.94 123.21 3fg6 s TRP 401 Ca -0.15 -0.43 -0.19 0.00 -2.12 0.00 0.00 56.10 53.20 3fg6 s TRP 401 Cb -0.17 -1.47 -0.08 0.00 -0.81 0.00 0.00 33.47 30.94 3fg6 s TRP 401 CO 0.05 0.01 0.72 0.50 -0.51 0.00 0.00 176.95 177.71 3fg6 s ARG 402 N -0.78 4.23 -0.36 4.98 3.52 -0.26 -1.30 118.95 128.99 3fg6 s ARG 402 Ca 0.10 0.84 -0.19 0.00 -0.13 0.00 0.00 55.73 56.36 3fg6 s ARG 402 Cb -0.10 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.42 3fg6 s ARG 402 CO -0.00 0.39 0.56 0.08 -0.81 0.00 0.00 175.30 175.52 3fg6 s VAL 403 N -1.53 4.96 0.42 7.11 1.01 -0.96 -1.89 120.40 129.52 3fg6 s VAL 403 Ca 0.43 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.83 3fg6 s VAL 403 Cb -0.16 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 3fg6 s VAL 403 CO 0.21 -0.29 0.03 -0.70 0.00 0.00 0.00 175.10 174.35 3fg6 s GLU 404 N 2.52 1.95 0.00 2.72 2.56 -0.52 -4.75 118.70 123.18 3fg6 s GLU 404 Ca 0.21 -2.15 0.00 0.00 0.00 0.00 0.00 54.97 53.02 3fg6 s GLU 404 Cb -0.15 -1.30 0.00 0.00 2.00 0.00 0.00 34.13 34.68 3fg6 s GLU 404 CO 0.14 -0.22 0.00 0.27 -0.56 0.00 0.00 175.26 174.89 3fg6 n ASN 405 N -1.03 0.00 -2.19 -1.70 6.94 -1.26 -0.89 115.26 115.13 3fg6 n ASN 405 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.48 3fg6 n ASN 405 Cb 0.67 0.00 0.04 0.00 -2.36 0.00 0.00 39.78 38.12 3fg6 n ASN 405 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3fg6 n ASN 406 N 0.00 0.75 -1.74 0.53 3.02 -1.26 -5.09 115.26 111.46 3fg6 n ASN 406 Ca 0.00 -2.04 -0.01 0.00 -0.03 0.00 0.00 54.58 52.50 3fg6 n ASN 406 Cb 0.00 -0.20 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 3fg6 n ASN 406 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg6 n GLY 407 N -0.29 1.06 3.47 7.41 0.00 -0.07 -5.10 105.19 111.67 3fg6 n GLY 407 Ca 0.00 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.02 3.67 -0.21 1.61 0.52 -1.26 -1.44 118.95 119.82 3fg6 s ARG 408 Ca 0.07 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 54.72 3fg6 s ARG 408 Cb -0.01 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.28 3fg6 s ARG 408 CO 0.02 0.01 0.06 0.42 0.02 0.00 0.00 175.30 175.82 3fg6 s ILE 409 N 1.04 4.49 0.11 1.52 1.01 -0.79 -4.97 121.20 123.60 3fg6 s ILE 409 Ca 0.03 -0.13 -0.35 0.00 0.00 0.00 0.00 60.65 60.20 3fg6 s ILE 409 Cb -0.14 -3.05 -0.14 0.00 0.01 0.00 0.00 42.46 39.13 3fg6 s ILE 409 CO 0.02 0.41 1.55 0.00 0.00 0.00 0.00 174.94 176.92 3fg6 n GLN 410 N 4.16 1.89 -3.05 2.79 6.02 -1.26 -1.10 117.38 126.84 3fg6 n GLN 410 Ca -0.16 0.68 -0.38 0.00 -0.01 0.00 0.00 57.00 57.14 3fg6 n GLN 410 Cb 0.52 -2.43 -0.06 0.00 1.02 0.00 0.00 30.24 29.29 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 1.12 4.48 0.12 5.09 0.11 -1.13 -4.80 120.40 125.39 3fg6 s VAL 411 Ca 0.82 1.47 -0.35 0.00 -2.93 0.00 0.00 61.98 60.98 3fg6 s VAL 411 Cb -0.75 -3.97 -0.16 0.00 -1.53 0.00 0.00 36.38 29.97 3fg6 s VAL 411 CO 0.42 0.34 1.40 -0.67 -3.33 0.00 0.00 175.10 173.25 3fg6 n ASP 412 N 1.09 2.08 -0.31 3.54 -0.08 -1.26 -4.89 116.55 116.72 3fg6 n ASP 412 Ca -0.04 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.38 3fg6 n ASP 412 Cb 0.50 -1.27 0.17 0.00 2.34 0.00 0.00 41.12 42.86 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 4.83 0.88 0.00 -0.67 5.75 -1.97 -0.31 115.11 123.62 3fg6 h GLN 413 Ca -0.46 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 3fg6 h GLN 413 Cb 1.31 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 3fg6 h GLN 413 CO 0.80 0.58 -0.20 -0.91 -2.65 0.00 0.00 178.83 176.45 3fg6 h ASN 414 N 0.91 0.00 -0.31 -0.69 4.21 -2.05 -3.13 115.58 114.52 3fg6 h ASN 414 Ca 0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 3fg6 h ASN 414 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 3fg6 h ASN 414 CO -0.22 0.20 0.00 -1.20 -1.29 0.00 0.00 177.43 174.93 3fg6 n SER 415 N -3.83 2.54 -4.65 5.81 7.64 -0.13 -4.91 113.62 116.09 3fg6 n SER 415 Ca -0.02 -2.22 -0.42 0.00 1.01 0.00 0.00 58.87 57.22 3fg6 n SER 415 Cb 0.30 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.68 1.70 0.00 1.43 4.12 -1.19 -1.09 117.35 120.65 3fg6 s TYR 416 Ca 0.24 0.07 0.00 0.00 0.02 0.00 0.00 57.07 57.41 3fg6 s TYR 416 Cb 0.16 -4.03 0.00 0.00 -1.52 0.00 0.00 41.96 36.57 3fg6 s TYR 416 CO 0.12 -4.27 0.00 0.41 0.02 0.00 0.00 175.55 171.83 3fg6 n GLY 417 N 4.49 2.44 3.52 0.71 0.00 -1.26 -5.04 105.19 110.06 3fg6 n GLY 417 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.69 3.33 0.11 1.61 2.02 -0.25 -1.67 118.70 123.16 3fg6 s GLU 418 Ca 0.00 -0.33 0.10 0.00 0.02 0.00 0.00 54.97 54.76 3fg6 s GLU 418 Cb 0.00 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 3fg6 s GLU 418 CO 0.00 -0.96 -0.26 -0.06 0.02 0.00 0.00 175.26 174.00 3fg6 s PHE 419 N 2.77 2.33 -0.04 1.61 0.40 0.03 -4.99 117.98 120.08 3fg6 s PHE 419 Ca 0.22 -0.38 -0.19 0.00 -0.60 0.00 0.00 56.93 55.98 3fg6 s PHE 419 Cb -0.14 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.05 3fg6 s PHE 419 CO 0.18 0.29 0.52 0.71 0.70 0.00 0.00 175.22 177.63 3fg6 s TYR 420 N -1.00 3.64 0.48 0.36 2.02 -1.26 -0.38 117.35 121.20 3fg6 s TYR 420 Ca 0.14 1.06 0.20 0.00 -0.37 0.00 0.00 57.07 58.10 3fg6 s TYR 420 Cb -0.10 -2.53 1.30 0.00 -0.40 0.00 0.00 41.96 40.22 3fg6 s TYR 420 CO 0.05 0.34 2.08 0.78 -1.57 0.00 0.00 175.55 177.24 3fg6 h GLY 421 N 5.83 0.00 -1.98 0.71 0.00 -1.88 -1.59 103.07 104.16 3fg6 h GLY 421 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fg6 h GLY 421 CO 0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.85 3fg6 n GLY 422 N -1.08 1.70 3.28 4.60 0.00 -1.26 -1.48 105.19 110.95 3fg6 n GLY 422 Ca -0.02 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.64 1.91 0.05 1.61 1.01 -0.60 -4.22 116.67 115.78 3fg6 s ASP 423 Ca 0.28 -1.06 0.05 0.00 0.71 0.00 0.00 52.55 52.53 3fg6 s ASP 423 Cb 0.19 -0.02 -0.04 0.00 1.01 0.00 0.00 42.92 44.06 3fg6 s ASP 423 CO 0.12 -0.35 -0.10 0.00 0.21 0.00 0.00 175.17 175.04 3fg6 s TYR 425 N -1.07 1.18 -0.29 0.00 1.51 0.14 -2.25 117.35 116.56 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 -0.89 3.62 -0.27 2.71 1.01 -0.42 -0.18 121.20 126.79 3fg6 s ILE 426 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 3fg6 s ILE 426 Cb -0.08 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3fg6 s ILE 426 CO 0.01 0.04 0.10 -0.63 0.00 0.00 0.00 174.94 174.46 3fg6 s ILE 427 N 1.42 4.49 -0.25 2.92 1.01 0.87 -1.39 121.20 130.27 3fg6 s ILE 427 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3fg6 s ILE 427 Cb -0.18 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.11 3fg6 s ILE 427 CO 0.01 0.26 0.06 -0.22 0.00 0.00 0.00 174.94 175.04 3fg6 s LEU 428 N 1.63 3.38 -0.23 2.97 2.96 0.58 -0.34 118.68 129.62 3fg6 s LEU 428 Ca 0.06 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3fg6 s LEU 428 Cb -0.16 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3fg6 s LEU 428 CO 0.05 -0.04 0.01 -0.47 -1.32 0.00 0.00 176.35 174.58 3fg6 s TYR 429 N 1.59 3.01 -0.07 5.38 5.04 0.22 -1.12 117.35 131.41 3fg6 s TYR 429 Ca 0.06 -0.71 0.04 0.00 -2.44 0.00 0.00 57.07 54.03 3fg6 s TYR 429 Cb -0.15 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 3fg6 s TYR 429 CO 0.03 -0.46 -0.20 0.95 -1.34 0.00 0.00 175.55 174.53 3fg6 s THR 430 N 1.53 2.54 0.19 4.34 -4.23 -0.80 -0.93 115.64 118.28 3fg6 s THR 430 Ca 0.06 -0.89 -0.23 0.00 -1.18 0.00 0.00 61.69 59.45 3fg6 s THR 430 Cb -0.15 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.77 3fg6 s THR 430 CO -0.00 0.57 0.72 -0.72 -0.54 0.00 0.00 174.62 174.65 3fg6 s TYR 431 N -0.27 -0.34 0.35 3.99 -0.85 -1.06 -2.67 117.35 116.50 3fg6 s TYR 431 Ca 0.01 0.02 0.16 0.00 -0.52 0.00 0.00 57.07 56.74 3fg6 s TYR 431 Cb -0.13 0.63 1.19 0.00 0.38 0.00 0.00 41.96 44.03 3fg6 s TYR 431 CO 0.03 -0.97 1.57 -2.30 -1.52 0.00 0.00 175.55 172.36 3fg6 n PRO 432 N -0.41 -0.06 -1.92 -3.49 -0.02 -1.26 -2.06 135.00 125.78 3fg6 n PRO 432 Ca -0.10 1.40 -0.39 0.00 -2.02 0.00 0.00 63.50 62.39 3fg6 n PRO 432 Cb 0.62 -2.44 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3fg6 n PRO 432 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3fg6 n ARG 433 N -5.31 2.83 0.00 -0.52 0.00 -1.26 -5.03 116.66 107.36 3fg6 n ARG 433 Ca 0.34 -3.50 0.00 0.00 -0.00 0.00 0.00 57.85 54.69 3fg6 n ARG 433 Cb 1.15 -2.27 0.00 0.00 0.00 0.00 0.00 32.46 31.34 3fg6 n ARG 433 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3fg6 n GLY 434 N -0.45 -1.84 3.28 5.14 0.00 -0.87 -5.02 105.19 105.43 3fg6 n GLY 434 Ca 0.54 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.32 3fg6 n GLY 434 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fg6 s GLN 435 N 0.00 1.29 -0.08 1.61 -1.52 -1.26 -2.57 119.66 117.13 3fg6 s GLN 435 Ca 0.00 -1.09 0.01 0.00 -1.95 0.00 0.00 55.36 52.34 3fg6 s GLN 435 Cb 0.00 -1.51 0.02 0.00 -0.22 0.00 0.00 33.01 31.30 3fg6 s GLN 435 CO 0.00 0.37 -0.10 0.42 -0.25 0.00 0.00 175.29 175.73 3fg6 s ILE 436 N -0.99 1.05 -0.33 1.08 1.01 -0.11 -1.60 121.20 121.32 3fg6 s ILE 436 Ca 0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.26 3fg6 s ILE 436 Cb -0.10 -1.00 0.03 0.00 0.01 0.00 0.00 42.46 41.41 3fg6 s ILE 436 CO 0.03 0.35 0.11 -0.63 0.00 0.00 0.00 174.94 174.80 3fg6 s ILE 437 N 0.98 3.91 -0.26 2.92 1.01 0.74 -0.61 121.20 129.90 3fg6 s ILE 437 Ca -0.09 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 3fg6 s ILE 437 Cb -0.15 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3fg6 s ILE 437 CO -0.00 -0.11 0.50 -0.31 0.00 0.00 0.00 174.94 175.02 3fg6 s TYR 438 N 1.45 3.27 -0.63 3.97 2.02 0.53 -0.76 117.35 127.20 3fg6 s TYR 438 Ca -0.00 0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 57.16 3fg6 s TYR 438 Cb -0.19 -2.69 0.15 0.00 -0.40 0.00 0.00 41.96 38.82 3fg6 s TYR 438 CO 0.03 -0.26 0.63 0.99 -1.57 0.00 0.00 175.55 175.37 3fg6 s THR 439 N 2.21 5.22 -0.30 -0.71 2.01 -0.19 -0.09 115.64 123.79 3fg6 s THR 439 Ca 0.21 -1.64 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 3fg6 s THR 439 Cb -0.16 -4.42 0.01 0.00 0.01 0.00 0.00 72.50 67.95 3fg6 s THR 439 CO 0.09 -0.98 0.97 0.86 -0.69 0.00 0.00 174.62 174.87 3fg6 s TRP 440 N 1.50 3.21 -0.21 4.92 -0.00 0.75 -0.62 118.94 128.49 3fg6 s TRP 440 Ca 0.09 1.13 -0.04 0.00 -0.00 0.00 0.00 56.10 57.28 3fg6 s TRP 440 Cb -0.23 -3.44 -0.01 0.00 -0.00 0.00 0.00 33.47 29.78 3fg6 s TRP 440 CO 0.00 -0.64 -0.04 -0.65 -0.00 0.00 0.00 176.95 175.63 3fg6 s GLN 441 N 3.32 3.45 0.33 5.86 -0.21 0.13 0.23 119.66 132.77 3fg6 s GLN 441 Ca 0.41 -0.60 -0.28 0.00 0.02 0.00 0.00 55.36 54.91 3fg6 s GLN 441 Cb -0.13 -3.01 -0.09 0.00 1.00 0.00 0.00 33.01 30.78 3fg6 s GLN 441 CO 0.12 -0.11 1.15 0.20 -2.12 0.00 0.00 175.29 174.54 3fg6 s GLY 442 N 1.26 2.98 0.61 3.09 0.00 -0.53 -1.24 107.32 113.49 3fg6 s GLY 442 Ca 0.03 0.97 0.31 0.00 0.00 0.00 0.00 44.72 46.04 3fg6 s GLY 442 CO -0.01 1.55 2.10 0.00 0.00 0.00 0.00 173.10 176.74 3fg6 h ALA 443 N 3.35 1.63 -0.16 3.20 0.00 -1.87 -0.83 119.26 124.58 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 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 -0.28 0.00 0.09 0.00 0.00 0.00 179.25 179.71 3fg6 n ASN 444 N -3.54 2.79 -4.76 0.00 3.02 -0.55 -5.00 115.26 107.22 3fg6 n ASN 444 Ca 0.01 -1.83 -0.41 0.00 -0.03 0.00 0.00 54.58 52.31 3fg6 n ASN 444 Cb 0.31 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.42 3.71 0.59 5.41 0.00 -0.32 -4.58 121.76 125.15 3fg6 s ALA 445 Ca 0.26 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.62 3fg6 s ALA 445 Cb 0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3fg6 s ALA 445 CO 0.24 -1.01 1.12 0.95 0.00 0.00 0.00 175.76 177.05 3fg6 s THR 446 N -0.30 3.23 0.64 0.00 -4.23 -1.26 -4.87 115.64 108.85 3fg6 s THR 446 Ca 0.61 0.68 0.36 0.00 -1.18 0.00 0.00 61.69 62.16 3fg6 s THR 446 Cb -0.48 -3.22 0.39 0.00 1.34 0.00 0.00 72.50 70.53 3fg6 s THR 446 CO 0.52 -0.25 2.24 0.03 -0.54 0.00 0.00 174.62 176.62 3fg6 h ARG 447 N 0.71 0.00 -0.49 3.99 3.08 -1.99 0.37 114.38 120.05 3fg6 h ARG 447 Ca -0.49 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.52 3fg6 h ARG 447 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3fg6 h ARG 447 CO 0.56 0.00 0.13 0.22 -1.07 0.00 0.00 179.97 179.81 3fg6 h ASP 448 N 0.00 0.72 -0.39 7.04 3.58 -2.00 -2.23 116.42 123.14 3fg6 h ASP 448 Ca 0.02 -0.22 -0.15 0.00 0.42 0.00 0.00 57.03 57.10 3fg6 h ASP 448 Cb 0.18 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 3fg6 h ASP 448 CO -0.00 0.75 -0.32 -0.33 -2.88 0.00 0.00 179.24 176.47 3fg6 h GLU 449 N 0.66 0.93 -0.72 0.28 5.08 -1.30 -2.47 114.58 117.03 3fg6 h GLU 449 Ca 0.15 -0.45 0.05 0.00 -1.00 0.00 0.00 59.36 58.11 3fg6 h GLU 449 Cb 0.30 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3fg6 h GLU 449 CO -0.00 1.11 0.48 -0.07 -1.00 0.00 0.00 179.01 179.52 3fg6 h LEU 450 N 0.78 0.71 -0.05 1.33 3.38 -1.28 0.24 115.31 120.42 3fg6 h LEU 450 Ca 0.08 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 3fg6 h LEU 450 Cb 0.90 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.51 3fg6 h LEU 450 CO 0.08 0.47 -0.89 0.74 0.09 0.00 0.00 178.44 178.94 3fg6 h THR 451 N 0.82 1.30 -0.55 0.22 2.02 -1.33 -2.82 112.91 112.56 3fg6 h THR 451 Ca 0.30 -2.12 -0.11 0.00 0.77 0.00 0.00 66.41 65.25 3fg6 h THR 451 Cb 0.16 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 3fg6 h THR 451 CO -0.09 0.66 -0.08 0.74 0.37 0.00 0.00 175.52 177.11 3fg6 h THR 452 N 0.37 1.27 -0.50 3.16 2.02 -0.94 -0.64 112.91 117.65 3fg6 h THR 452 Ca -0.10 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.84 3fg6 h THR 452 Cb 1.54 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3fg6 h THR 452 CO 0.18 0.44 0.30 0.77 0.37 0.00 0.00 175.52 177.58 3fg6 h SER 453 N 0.92 0.61 -0.58 4.18 4.64 -0.61 0.38 113.55 123.08 3fg6 h SER 453 Ca 0.15 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3fg6 h SER 453 Cb 0.65 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3fg6 h SER 453 CO 0.04 0.49 0.14 0.00 -0.87 0.00 0.00 176.83 176.64 3fg6 h ALA 454 N 1.14 0.76 -0.71 5.18 0.00 -1.32 -1.82 119.26 122.49 3fg6 h ALA 454 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fg6 h ALA 454 Cb -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fg6 h ALA 454 CO -0.03 0.47 0.36 0.35 0.00 0.00 0.00 179.25 180.40 3fg6 h PHE 455 N 0.84 0.99 0.00 0.00 3.57 -0.81 -2.73 116.94 118.80 3fg6 h PHE 455 Ca 0.18 -0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 3fg6 h PHE 455 Cb 0.34 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3fg6 h PHE 455 CO 0.02 0.71 -0.85 -0.07 -2.23 0.00 0.00 178.31 175.90 3fg6 h LEU 456 N 1.00 0.00 -0.64 0.59 3.38 -0.64 -1.98 115.31 117.02 3fg6 h LEU 456 Ca 0.25 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 3fg6 h LEU 456 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3fg6 h LEU 456 CO -0.04 0.85 -0.67 0.71 0.09 0.00 0.00 178.44 179.38 3fg6 h THR 457 N 0.00 1.47 -0.17 0.22 1.35 -1.28 0.45 112.91 114.95 3fg6 h THR 457 Ca -0.01 -2.26 -0.02 0.00 -0.55 0.00 0.00 66.41 63.57 3fg6 h THR 457 Cb 1.60 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 70.23 3fg6 h THR 457 CO 0.11 0.65 0.04 0.58 -0.25 0.00 0.00 175.52 176.65 3fg6 h VAL 458 N 0.03 1.20 -0.59 6.82 2.07 -1.42 0.11 116.25 124.47 3fg6 h VAL 458 Ca -0.01 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.95 3fg6 h VAL 458 Cb 1.19 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3fg6 h VAL 458 CO 0.09 0.19 0.29 1.56 0.02 0.00 0.00 177.57 179.72 3fg6 h GLN 459 N 0.08 0.52 -0.13 1.57 7.50 -1.18 -0.60 115.11 122.86 3fg6 h GLN 459 Ca 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 3fg6 h GLN 459 Cb 0.26 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.66 3fg6 h GLN 459 CO 0.00 0.34 0.02 1.25 -1.50 0.00 0.00 178.83 178.95 3fg6 h LEU 460 N 0.53 0.20 -0.82 1.46 5.85 -0.80 -2.58 115.31 119.15 3fg6 h LEU 460 Ca 0.28 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3fg6 h LEU 460 Cb 0.23 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3fg6 h LEU 460 CO -0.21 0.41 0.54 -0.78 -0.34 0.00 0.00 178.44 178.06 3fg6 h ASP 461 N -0.01 0.94 0.24 1.25 -0.00 -0.54 -2.33 116.42 115.97 3fg6 h ASP 461 Ca 0.04 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.03 56.98 3fg6 h ASP 461 Cb 0.29 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 39.37 3fg6 h ASP 461 CO 0.00 0.68 -0.29 0.03 -0.00 0.00 0.00 179.24 179.66 3fg6 h ARG 462 N 1.11 0.10 0.00 0.28 3.08 -1.09 0.17 114.38 118.03 3fg6 h ARG 462 Ca 0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3fg6 h ARG 462 Cb -0.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3fg6 h ARG 462 CO -0.07 0.39 0.00 -1.13 -1.07 0.00 0.00 179.97 178.09 3fg6 n SER 463 N -4.16 0.70 -0.45 7.04 3.41 -0.91 -2.97 113.62 116.27 3fg6 n SER 463 Ca -0.02 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 3fg6 n SER 463 Cb 0.36 -0.76 0.09 0.00 -0.26 0.00 0.00 64.21 63.64 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 -2.16 1.83 0.00 1.04 4.77 -0.90 -4.95 117.00 116.62 3fg6 n LEU 464 Ca 0.06 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 3fg6 n LEU 464 Cb 0.41 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fg6 n LEU 464 CO 0.29 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3fg6 n GLY 465 N 1.40 1.26 1.29 -0.72 0.00 -1.01 -4.49 105.19 102.92 3fg6 n GLY 465 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.50 0.62 0.05 -0.02 0.00 0.54 -4.94 105.19 100.95 3fg6 n GLY 466 Ca 0.00 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3fg6 n GLY 466 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3fg6 n GLN 467 N -2.65 0.30 -2.41 1.61 -0.06 -1.26 -4.97 117.38 107.94 3fg6 n GLN 467 Ca 0.00 0.05 -0.39 0.00 -2.00 0.00 0.00 57.00 54.66 3fg6 n GLN 467 Cb 0.00 -1.65 -0.04 0.00 -4.06 0.00 0.00 30.24 24.49 3fg6 n GLN 467 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3fg6 s ALA 468 N -3.19 3.33 0.20 1.69 0.00 -1.26 -4.67 121.76 117.85 3fg6 s ALA 468 Ca 0.05 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 3fg6 s ALA 468 Cb 0.14 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.83 3fg6 s ALA 468 CO 0.76 -0.28 0.98 0.08 0.00 0.00 0.00 175.76 177.29 3fg6 s VAL 469 N -1.27 4.13 -0.16 0.00 1.01 -0.63 -4.92 120.40 118.56 3fg6 s VAL 469 Ca 0.49 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.44 3fg6 s VAL 469 Cb -0.31 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.81 3fg6 s VAL 469 CO 0.40 0.40 -0.16 -1.10 0.00 0.00 0.00 175.10 174.64 3fg6 s GLN 470 N -0.73 3.18 -0.15 2.72 -0.21 -1.26 -0.19 119.66 123.02 3fg6 s GLN 470 Ca 0.44 -0.76 0.00 0.00 0.02 0.00 0.00 55.36 55.06 3fg6 s GLN 470 Cb -0.26 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.16 3fg6 s GLN 470 CO 0.33 -0.02 -0.10 0.42 -2.12 0.00 0.00 175.29 173.79 3fg6 s ILE 471 N 0.89 1.39 -0.42 1.08 1.01 0.06 -4.98 121.20 120.23 3fg6 s ILE 471 Ca -0.04 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.72 3fg6 s ILE 471 Cb -0.15 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 40.94 3fg6 s ILE 471 CO -0.02 0.33 0.95 -0.60 0.00 0.00 0.00 174.94 175.60 3fg6 s ARG 472 N 1.54 3.69 -0.30 2.79 3.52 -1.26 -1.02 118.95 127.91 3fg6 s ARG 472 Ca 0.03 0.39 -0.07 0.00 -0.13 0.00 0.00 55.73 55.94 3fg6 s ARG 472 Cb -0.14 -3.87 0.01 0.00 -1.56 0.00 0.00 34.95 29.39 3fg6 s ARG 472 CO -0.09 -1.12 0.09 0.08 -0.81 0.00 0.00 175.30 173.45 3fg6 s VAL 473 N 3.71 4.02 0.48 7.11 1.01 0.21 -4.94 120.40 131.99 3fg6 s VAL 473 Ca 0.39 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 3fg6 s VAL 473 Cb -0.11 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3fg6 s VAL 473 CO 0.24 0.05 1.05 -0.44 0.00 0.00 0.00 175.10 176.00 3fg6 s SER 474 N 1.50 6.35 0.16 3.32 0.01 -1.26 0.17 113.70 123.95 3fg6 s SER 474 Ca 0.02 1.98 -0.34 0.00 1.31 0.00 0.00 55.95 58.92 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 -0.78 1.49 1.67 0.41 0.00 0.00 173.24 176.06 3fg6 n GLN 475 N -0.84 1.92 -0.51 12.44 7.27 -0.37 -1.06 117.38 136.23 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 -2.41 0.00 0.00 2.41 0.00 0.00 30.24 30.76 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 2.97 1.67 1.28 1.69 0.00 -1.26 -4.85 105.19 106.69 3fg6 n GLY 476 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 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 2.21 -1.80 1.61 4.76 -0.22 -4.75 118.16 117.97 3fg6 n LYS 477 Ca 0.00 -3.09 -0.42 0.00 -2.87 0.00 0.00 58.31 51.93 3fg6 n LYS 477 Cb 0.00 -1.89 -0.03 0.00 -1.84 0.00 0.00 35.03 31.27 3fg6 n LYS 477 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fg6 s GLU 478 N -3.16 4.16 1.00 1.97 8.01 -1.25 -4.68 118.70 124.76 3fg6 s GLU 478 Ca 0.46 2.48 -0.11 0.00 0.01 0.00 0.00 54.97 57.82 3fg6 s GLU 478 Cb 0.40 -3.67 0.20 0.00 -4.31 0.00 0.00 34.13 26.75 3fg6 s GLU 478 CO 0.04 -0.81 1.11 -2.14 0.01 0.00 0.00 175.26 173.46 3fg6 s PRO 479 N 2.92 0.32 0.51 0.39 0.02 -1.26 -4.83 135.00 133.07 3fg6 s PRO 479 Ca 0.79 1.32 0.28 0.00 0.02 0.00 0.00 61.00 63.41 3fg6 s PRO 479 Cb -0.43 -1.66 1.33 0.00 0.02 0.00 0.00 34.50 33.76 3fg6 s PRO 479 CO 0.35 -3.03 2.00 -0.39 -0.33 0.00 0.00 177.00 175.60 3fg6 h VAL 480 N -2.15 0.47 0.00 3.83 -1.51 -2.00 -2.81 116.25 112.07 3fg6 h VAL 480 Ca -0.49 -0.69 -0.05 0.00 -1.23 0.00 0.00 66.70 64.23 3fg6 h VAL 480 Cb 1.29 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3fg6 h VAL 480 CO 0.44 0.13 -0.21 -0.74 -1.23 0.00 0.00 177.57 175.96 3fg6 h HIS 481 N 0.00 0.21 -0.26 5.19 -0.00 -1.94 -3.11 115.15 115.24 3fg6 h HIS 481 Ca -0.00 -0.12 0.05 0.00 -0.00 0.00 0.00 60.37 60.30 3fg6 h HIS 481 Cb 0.46 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.80 3fg6 h HIS 481 CO 0.00 0.93 -0.07 1.25 -0.00 0.00 0.00 177.93 180.04 3fg6 h LEU 482 N -0.57 -0.24 -0.74 0.26 5.85 -1.93 -2.64 115.31 115.30 3fg6 h LEU 482 Ca -0.03 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.93 3fg6 h LEU 482 Cb 0.99 0.16 -0.13 0.00 0.37 0.00 0.00 40.66 42.05 3fg6 h LEU 482 CO 0.04 -0.09 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.91 3fg6 h LEU 483 N -0.00 -0.49 -5.11 2.25 3.38 -1.58 -1.63 115.31 112.12 3fg6 h LEU 483 Ca 0.13 0.21 -0.57 0.00 0.09 0.00 0.00 57.88 57.73 3fg6 h LEU 483 Cb 0.19 0.39 0.02 0.00 0.09 0.00 0.00 40.66 41.36 3fg6 h LEU 483 CO -0.27 -0.21 3.40 -1.54 0.09 0.00 0.00 178.44 179.91 3fg6 n SER 484 N -5.41 7.54 -0.31 -0.43 3.41 -1.00 -3.09 113.62 114.34 3fg6 n SER 484 Ca 0.12 -2.49 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 3fg6 n SER 484 Cb 0.43 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 3fg6 n SER 484 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3fg6 n LEU 485 N 3.74 0.00 -1.25 1.04 7.94 -0.61 -4.83 117.00 123.02 3fg6 n LEU 485 Ca 0.68 -0.74 0.04 0.00 -1.11 0.00 0.00 56.01 54.88 3fg6 n LEU 485 Cb 0.21 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.22 3fg6 n LEU 485 CO 0.80 0.56 0.14 0.49 -1.11 0.00 0.00 177.39 178.26 3fg6 n PHE 486 N 0.00 0.00 0.00 1.96 3.01 -1.18 -5.03 117.46 116.22 3fg6 n PHE 486 Ca 0.00 -0.69 0.00 0.00 1.01 0.00 0.00 57.45 57.77 3fg6 n PHE 486 Cb 0.55 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3fg6 n PHE 486 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3fg6 n LYS 487 N 0.12 0.00 -2.41 -1.08 4.76 -1.26 -1.13 118.16 117.16 3fg6 n LYS 487 Ca 0.08 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 3fg6 n LYS 487 Cb 1.03 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 34.22 3fg6 n LYS 487 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3fg6 n ASP 488 N 2.51 4.94 -4.12 4.39 9.92 -1.26 -4.96 116.55 127.97 3fg6 n ASP 488 Ca 0.00 -3.73 -0.29 0.00 -0.53 0.00 0.00 54.79 50.23 3fg6 n ASP 488 Cb 0.00 -0.50 -0.17 0.00 -0.64 0.00 0.00 41.12 39.81 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 -3.58 2.50 0.62 -1.24 -2.85 -0.28 -5.13 119.74 109.78 3fg6 s LYS 489 Ca 0.48 -0.68 -0.19 0.00 -1.00 0.00 0.00 55.97 54.59 3fg6 s LYS 489 Cb 0.40 -2.01 -0.02 0.00 -2.06 0.00 0.00 37.83 34.15 3fg6 s LYS 489 CO -0.20 0.04 1.29 -1.25 0.10 0.00 0.00 175.35 175.33 3fg6 s PRO 490 N 0.70 2.71 0.16 1.78 0.04 -1.26 -4.86 135.00 134.26 3fg6 s PRO 490 Ca -0.12 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3fg6 s PRO 490 Cb -0.16 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 3fg6 s PRO 490 CO 0.03 -1.47 1.32 -0.51 0.04 0.00 0.00 177.00 176.40 3fg6 s LEU 491 N -4.20 4.40 -0.10 -3.56 1.02 -1.11 -4.83 118.68 110.30 3fg6 s LEU 491 Ca 0.80 2.33 0.04 0.00 0.02 0.00 0.00 54.13 57.33 3fg6 s LEU 491 Cb -0.37 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.24 3fg6 s LEU 491 CO 0.39 -0.55 -0.24 -0.63 0.02 0.00 0.00 176.35 175.35 3fg6 s ILE 492 N 0.48 2.08 -0.16 -0.59 1.01 -0.67 -0.05 121.20 123.30 3fg6 s ILE 492 Ca 0.59 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3fg6 s ILE 492 Cb -0.36 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3fg6 s ILE 492 CO 0.35 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 175.06 3fg6 s ILE 493 N 0.39 1.70 0.53 2.92 1.01 0.61 -0.79 121.20 127.57 3fg6 s ILE 493 Ca -0.18 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.83 3fg6 s ILE 493 Cb -0.18 -1.58 0.06 0.00 0.01 0.00 0.00 42.46 40.78 3fg6 s ILE 493 CO 0.08 0.47 0.73 -0.31 0.00 0.00 0.00 174.94 175.91 3fg6 s TYR 494 N 1.43 1.90 0.24 3.97 1.51 0.49 -0.65 117.35 126.24 3fg6 s TYR 494 Ca 0.05 -0.57 -0.06 0.00 -1.01 0.00 0.00 57.07 55.47 3fg6 s TYR 494 Cb -0.13 -2.33 0.23 0.00 -0.11 0.00 0.00 41.96 39.62 3fg6 s TYR 494 CO -0.11 -0.95 1.82 -1.00 -1.11 0.00 0.00 175.55 174.20 3fg6 h PRO 509 N 0.27 1.16 -5.57 -1.71 0.13 -1.98 -3.39 132.00 120.92 3fg6 h PRO 509 Ca -0.34 -0.18 -0.59 0.00 -0.87 0.00 0.00 66.00 64.02 3fg6 h PRO 509 Cb 1.28 -0.20 -0.09 0.00 0.13 0.00 0.00 31.00 32.12 3fg6 h PRO 509 CO 0.42 0.91 -0.30 0.99 -0.23 0.00 0.00 178.00 179.79 3fg6 s THR 510 N -5.61 5.28 0.01 1.56 2.01 -1.26 -3.72 115.64 113.91 3fg6 s THR 510 Ca -0.12 0.60 0.01 0.00 0.31 0.00 0.00 61.69 62.49 3fg6 s THR 510 Cb 0.16 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 3fg6 s THR 510 CO 0.83 0.41 -0.03 -0.13 -0.69 0.00 0.00 174.62 175.00 3fg6 s ARG 511 N 0.30 0.26 -0.10 4.92 0.52 -0.33 -4.91 118.95 119.60 3fg6 s ARG 511 Ca 0.18 -0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.13 3fg6 s ARG 511 Cb -0.13 -0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.21 3fg6 s ARG 511 CO 0.05 0.03 -0.18 -1.17 0.02 0.00 0.00 175.30 174.06 3fg6 s LEU 512 N -0.55 1.84 -0.08 2.53 2.96 -1.26 -0.38 118.68 123.75 3fg6 s LEU 512 Ca -0.04 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3fg6 s LEU 512 Cb -0.04 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 3fg6 s LEU 512 CO -0.00 0.06 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.53 3fg6 s PHE 513 N 0.73 2.59 -0.23 5.38 0.40 -0.20 0.80 117.98 127.45 3fg6 s PHE 513 Ca -0.12 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 55.41 3fg6 s PHE 513 Cb -0.16 -1.69 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 3fg6 s PHE 513 CO 0.02 -0.21 0.14 -1.14 0.70 0.00 0.00 175.22 174.73 3fg6 s GLN 514 N 0.01 4.03 -0.23 0.44 0.74 0.15 -1.24 119.66 123.55 3fg6 s GLN 514 Ca -0.07 -0.29 -0.06 0.00 0.05 0.00 0.00 55.36 54.99 3fg6 s GLN 514 Cb -0.15 -3.49 -0.02 0.00 1.10 0.00 0.00 33.01 30.46 3fg6 s GLN 514 CO 0.05 0.07 0.02 0.08 -0.55 0.00 0.00 175.29 174.96 3fg6 s VAL 515 N 1.01 3.87 -0.01 1.34 1.01 0.95 -0.66 120.40 127.90 3fg6 s VAL 515 Ca 0.07 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3fg6 s VAL 515 Cb -0.13 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3fg6 s VAL 515 CO 0.04 0.38 -0.03 -0.60 0.00 0.00 0.00 175.10 174.89 3fg6 s ARG 516 N 1.52 0.32 -0.06 2.72 3.52 -0.09 -2.39 118.95 124.49 3fg6 s ARG 516 Ca 0.06 -0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.58 3fg6 s ARG 516 Cb -0.15 -0.34 0.01 0.00 -1.56 0.00 0.00 34.95 32.91 3fg6 s ARG 516 CO 0.00 0.04 -0.11 0.50 -0.81 0.00 0.00 175.30 174.92 3fg6 s ARG 517 N 0.14 1.53 -0.08 5.12 3.52 -1.26 -0.42 118.95 127.49 3fg6 s ARG 517 Ca -0.01 -0.36 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3fg6 s ARG 517 Cb -0.04 -1.29 0.02 0.00 -1.56 0.00 0.00 34.95 32.08 3fg6 s ARG 517 CO -0.00 0.01 -0.10 0.54 -0.81 0.00 0.00 175.30 174.94 3fg6 s ASN 518 N 0.69 1.88 -0.46 -2.12 2.20 -1.26 -4.98 114.94 110.89 3fg6 s ASN 518 Ca -0.14 -0.29 -0.33 0.00 -0.94 0.00 0.00 52.86 51.15 3fg6 s ASN 518 Cb -0.15 -0.81 0.05 0.00 -2.00 0.00 0.00 41.25 38.33 3fg6 s ASN 518 CO 0.03 -0.02 0.65 0.18 -2.94 0.00 0.00 177.10 175.00 3fg6 n LEU 519 N 4.23 -3.72 0.00 3.54 4.77 -1.26 -4.08 117.00 120.48 3fg6 n LEU 519 Ca -0.19 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3fg6 n LEU 519 Cb 0.51 -2.01 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 3fg6 n LEU 519 CO 0.22 -0.53 0.00 0.00 -1.33 0.00 0.00 177.39 175.76 3fg6 n ALA 520 N -0.27 0.00 -0.04 -1.18 0.00 -1.26 -4.84 120.51 112.92 3fg6 n ALA 520 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 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 7.53 0.00 -3.58 0.00 3.41 -1.26 -4.62 113.62 115.10 3fg6 n SER 521 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 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 0.00 0.12 -1.33 2.07 -1.26 -4.97 121.20 115.83 3fg6 s ILE 522 Ca 0.00 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 58.93 3fg6 s ILE 522 Cb 0.00 -1.00 -0.08 0.00 0.13 0.00 0.00 42.46 41.51 3fg6 s ILE 522 CO 0.00 0.00 1.35 -0.89 -1.91 0.00 0.00 174.94 173.49 3fg6 s THR 523 N -0.86 3.40 -0.08 4.00 2.01 -1.26 -4.58 115.64 118.27 3fg6 s THR 523 Ca -0.02 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.03 3fg6 s THR 523 Cb -0.01 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3fg6 s THR 523 CO 0.01 0.09 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.77 3fg6 s ARG 524 N 0.93 2.90 -0.16 4.92 0.52 0.44 -2.73 118.95 125.76 3fg6 s ARG 524 Ca 0.63 -0.68 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3fg6 s ARG 524 Cb -0.36 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.63 3fg6 s ARG 524 CO 0.31 0.46 -0.17 0.42 0.02 0.00 0.00 175.30 176.34 3fg6 s ILE 525 N -0.28 1.79 -0.10 1.52 1.01 0.93 -0.91 121.20 125.15 3fg6 s ILE 525 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3fg6 s ILE 525 Cb -0.13 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.71 3fg6 s ILE 525 CO 0.03 0.49 -0.10 -0.69 0.00 0.00 0.00 174.94 174.67 3fg6 s VAL 526 N 1.40 1.13 0.24 2.92 1.01 0.16 -0.29 120.40 126.97 3fg6 s VAL 526 Ca 0.05 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3fg6 s VAL 526 Cb -0.13 -1.09 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 3fg6 s VAL 526 CO -0.12 0.37 1.44 -0.70 0.00 0.00 0.00 175.10 176.10 3fg6 s GLU 527 N 1.27 4.27 0.31 2.72 2.12 0.17 0.31 118.70 129.87 3fg6 s GLU 527 Ca -0.03 2.29 0.03 0.00 0.36 0.00 0.00 54.97 57.62 3fg6 s GLU 527 Cb -0.14 -3.12 -0.06 0.00 0.26 0.00 0.00 34.13 31.07 3fg6 s GLU 527 CO -0.04 -0.42 0.07 0.14 -0.54 0.00 0.00 175.26 174.47 3fg6 s VAL 528 N 0.08 1.03 0.45 3.70 -7.23 0.24 -4.89 120.40 113.77 3fg6 s VAL 528 Ca 0.60 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.52 3fg6 s VAL 528 Cb -0.42 -2.75 -0.09 0.00 0.56 0.00 0.00 36.38 33.69 3fg6 s VAL 528 CO 0.42 -0.01 1.24 0.47 -0.31 0.00 0.00 175.10 176.92 3fg6 n ASP 529 N -0.62 2.37 -1.97 4.85 8.00 -1.26 -3.98 116.55 123.93 3fg6 n ASP 529 Ca -0.02 1.07 -0.12 0.00 0.71 0.00 0.00 54.79 56.43 3fg6 n ASP 529 Cb 0.66 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.14 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 -0.43 2.88 -4.18 2.53 0.24 -1.26 -4.74 118.33 113.37 3fg6 n VAL 530 Ca 0.08 -1.50 -0.22 0.00 -2.04 0.00 0.00 64.34 60.66 3fg6 n VAL 530 Cb 0.41 -1.87 -0.05 0.00 -1.47 0.00 0.00 33.84 30.85 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 1.80 5.18 0.32 -1.34 1.11 -1.26 -4.69 116.67 117.80 3fg6 s ASP 531 Ca 0.55 -0.39 0.09 0.00 0.18 0.00 0.00 52.55 52.98 3fg6 s ASP 531 Cb 0.28 -1.21 0.55 0.00 1.07 0.00 0.00 42.92 43.60 3fg6 s ASP 531 CO -0.02 -0.02 1.75 0.00 1.18 0.00 0.00 175.17 178.06 3fg6 h ALA 532 N 1.64 1.21 -0.04 5.23 0.00 -1.82 -2.75 119.26 122.74 3fg6 h ALA 532 Ca -0.47 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.06 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 0.54 0.00 0.27 0.00 0.00 0.00 179.25 180.67 3fg6 n ASN 533 N -4.06 0.25 0.17 0.00 0.23 -1.26 -1.90 115.26 108.70 3fg6 n ASN 533 Ca -0.01 -1.85 0.12 0.00 -0.53 0.00 0.00 54.58 52.30 3fg6 n ASN 533 Cb 0.45 -0.03 0.12 0.00 -2.08 0.00 0.00 39.78 38.24 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 0.29 0.00 -4.23 0.53 0.02 -1.78 -3.37 113.55 105.02 3fg6 h SER 534 Ca 0.00 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.42 3fg6 h SER 534 Cb 0.07 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.76 3fg6 h SER 534 CO 0.00 0.00 0.34 -0.76 -1.14 0.00 0.00 176.83 175.27 3fg6 s LEU 535 N -5.81 3.16 -0.22 5.07 1.43 -0.80 -4.87 118.68 116.64 3fg6 s LEU 535 Ca 0.05 2.16 -0.07 0.00 -1.03 0.00 0.00 54.13 55.24 3fg6 s LEU 535 Cb 0.07 -4.57 0.10 0.00 0.03 0.00 0.00 46.19 41.83 3fg6 s LEU 535 CO 0.71 -2.32 0.46 0.21 0.23 0.00 0.00 176.35 175.64 3fg6 s ASN 536 N -2.52 -0.39 0.63 2.29 3.84 -1.26 -1.89 114.94 115.63 3fg6 s ASN 536 Ca 0.69 1.04 0.32 0.00 0.21 0.00 0.00 52.86 55.12 3fg6 s ASN 536 Cb -0.24 1.51 1.77 0.00 -0.55 0.00 0.00 41.25 43.74 3fg6 s ASN 536 CO 0.50 -0.23 2.07 0.28 -2.79 0.00 0.00 177.10 176.92 3fg6 h SER 537 N 8.14 0.00 1.43 -4.21 0.02 -1.75 -2.04 113.55 115.14 3fg6 h SER 537 Ca -0.16 0.00 0.00 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 -0.57 -1.13 -1.14 0.00 0.00 176.83 174.12 3fg6 h ASN 538 N 0.00 0.00 -0.94 3.07 -0.73 -1.76 0.35 115.58 115.57 3fg6 h ASN 538 Ca 0.06 -0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.59 3fg6 h ASN 538 Cb 0.54 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.01 3fg6 h ASN 538 CO -0.00 0.00 -0.51 -1.81 -0.37 0.00 0.00 177.43 174.74 3fg6 s ASP 539 N -5.71 4.19 0.00 1.15 1.01 -0.77 -3.29 116.67 113.25 3fg6 s ASP 539 Ca 0.03 -1.42 0.01 0.00 0.71 0.00 0.00 52.55 51.87 3fg6 s ASP 539 Cb 0.08 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 44.06 3fg6 s ASP 539 CO 0.74 -0.73 0.03 -0.69 0.21 0.00 0.00 175.17 174.73 3fg6 s VAL 540 N -2.77 4.39 0.05 -1.27 1.01 -1.01 -1.88 120.40 118.91 3fg6 s VAL 540 Ca 0.23 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.75 3fg6 s VAL 540 Cb 0.04 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 3fg6 s VAL 540 CO 0.13 0.36 -0.20 -0.36 0.00 0.00 0.00 175.10 175.03 3fg6 s PHE 541 N -1.14 1.74 -0.20 5.22 0.08 -0.01 -0.04 117.98 123.64 3fg6 s PHE 541 Ca 0.21 -0.38 -0.01 0.00 0.12 0.00 0.00 56.93 56.87 3fg6 s PHE 541 Cb -0.12 -1.03 0.01 0.00 -0.57 0.00 0.00 43.02 41.32 3fg6 s PHE 541 CO 0.12 0.10 -0.13 0.08 -0.10 0.00 0.00 175.22 175.29 3fg6 s VAL 542 N -0.85 2.58 -0.45 -0.44 1.01 -0.38 -0.04 120.40 121.83 3fg6 s VAL 542 Ca 0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.11 3fg6 s VAL 542 Cb -0.09 -2.15 0.09 0.00 0.00 0.00 0.00 36.38 34.23 3fg6 s VAL 542 CO 0.02 0.45 0.33 -0.22 0.00 0.00 0.00 175.10 175.69 3fg6 s LEU 543 N 1.35 5.47 -0.17 3.92 0.20 0.47 -1.03 118.68 128.89 3fg6 s LEU 543 Ca 0.04 -1.54 -0.24 0.00 0.69 0.00 0.00 54.13 53.08 3fg6 s LEU 543 Cb -0.14 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 3fg6 s LEU 543 CO -0.09 -0.62 0.77 -0.75 -0.29 0.00 0.00 176.35 175.37 3fg6 s LYS 544 N 1.49 4.28 0.40 1.98 2.20 0.49 -1.96 119.74 128.63 3fg6 s LYS 544 Ca 0.04 0.90 -0.00 0.00 -0.36 0.00 0.00 55.97 56.54 3fg6 s LYS 544 Cb -0.25 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 3fg6 s LYS 544 CO 0.03 -0.28 0.62 -0.51 -0.36 0.00 0.00 175.35 174.85 3fg6 s LEU 545 N 2.01 3.84 0.59 5.43 1.43 0.51 -1.19 118.68 131.30 3fg6 s LEU 545 Ca 0.36 0.47 0.36 0.00 -1.03 0.00 0.00 54.13 54.29 3fg6 s LEU 545 Cb -0.16 -3.35 1.87 0.00 0.03 0.00 0.00 46.19 44.57 3fg6 s LEU 545 CO 0.12 -0.47 2.19 -0.65 0.23 0.00 0.00 176.35 177.78 3fg6 h PRO 546 N 0.56 0.00 -0.30 1.29 0.11 -1.85 -2.68 132.00 129.13 3fg6 h PRO 546 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fg6 h PRO 546 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fg6 h PRO 546 CO 0.60 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3fg6 n GLN 547 N -3.30 1.50 -3.36 1.05 10.64 -1.26 -4.88 117.38 117.77 3fg6 n GLN 547 Ca -0.02 -0.66 -0.17 0.00 -1.83 0.00 0.00 57.00 54.32 3fg6 n GLN 547 Cb 0.17 -1.23 0.08 0.00 -0.86 0.00 0.00 30.24 28.40 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 0.04 -2.76 -2.78 2.61 3.02 -1.01 -5.04 115.26 109.35 3fg6 n ASN 548 Ca 0.06 -0.56 -0.13 0.00 -0.03 0.00 0.00 54.58 53.92 3fg6 n ASN 548 Cb 0.21 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.57 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 -2.92 -1.18 0.00 6.41 3.41 -1.25 -3.12 113.62 114.96 3fg6 n SER 549 Ca -0.22 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 3fg6 n SER 549 Cb 0.64 2.22 0.00 0.00 -0.26 0.00 0.00 64.21 66.81 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 -0.51 -0.58 3.19 5.00 0.00 -0.56 -0.37 105.19 111.36 3fg6 n GLY 550 Ca 0.01 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.72 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 1.68 -0.37 1.61 2.02 -0.83 -0.41 117.35 118.05 3fg6 s TYR 551 Ca 0.00 -0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 3fg6 s TYR 551 Cb 0.00 -1.08 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 3fg6 s TYR 551 CO 0.00 -0.03 0.25 0.42 -1.57 0.00 0.00 175.55 174.62 3fg6 s ILE 552 N -0.43 5.15 -0.46 2.71 1.01 -0.35 -0.39 121.20 128.44 3fg6 s ILE 552 Ca 0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 3fg6 s ILE 552 Cb -0.07 -3.75 0.06 0.00 0.01 0.00 0.00 42.46 38.71 3fg6 s ILE 552 CO -0.01 -0.13 0.39 0.86 0.00 0.00 0.00 174.94 176.05 3fg6 s TRP 553 N 1.68 3.24 -0.34 3.97 -0.00 0.94 -1.02 118.94 127.41 3fg6 s TRP 553 Ca 0.05 -0.86 -0.25 0.00 -0.00 0.00 0.00 56.10 55.04 3fg6 s TRP 553 Cb -0.18 -3.09 0.01 0.00 -0.00 0.00 0.00 33.47 30.21 3fg6 s TRP 553 CO 0.10 -0.77 0.89 0.08 -0.00 0.00 0.00 176.95 177.24 3fg6 s VAL 554 N 1.68 4.66 0.86 5.86 1.01 -0.18 -0.83 120.40 133.46 3fg6 s VAL 554 Ca 0.05 1.21 -0.10 0.00 0.00 0.00 0.00 61.98 63.14 3fg6 s VAL 554 Cb -0.23 -4.27 0.11 0.00 0.00 0.00 0.00 36.38 31.99 3fg6 s VAL 554 CO 0.07 -0.43 1.13 -0.83 0.00 0.00 0.00 175.10 175.04 3fg6 s GLY 555 N 1.77 1.70 0.39 4.51 0.00 -0.79 -1.59 107.32 113.30 3fg6 s GLY 555 Ca 0.36 0.49 0.12 0.00 0.00 0.00 0.00 44.72 45.70 3fg6 s GLY 555 CO 0.16 0.88 1.87 0.50 0.00 0.00 0.00 173.10 176.51 3fg6 h LYS 556 N -1.60 0.05 -0.76 2.90 1.57 -1.38 -3.04 116.57 114.31 3fg6 h LYS 556 Ca -0.43 -0.02 -0.51 0.00 -1.87 0.00 0.00 60.65 57.82 3fg6 h LYS 556 Cb 1.26 -0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.26 3fg6 h LYS 556 CO 0.45 0.34 0.01 0.41 -0.57 0.00 0.00 179.45 180.09 3fg6 n GLY 557 N -0.63 5.78 3.88 3.86 0.00 0.11 -4.31 105.19 113.87 3fg6 n GLY 557 Ca -0.02 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.58 3.84 0.59 4.61 0.00 -1.15 -4.40 121.76 121.67 3fg6 s ALA 558 Ca 0.55 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 3fg6 s ALA 558 Cb 0.45 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.46 3fg6 s ALA 558 CO 0.02 0.62 0.98 -1.54 0.00 0.00 0.00 175.76 175.83 3fg6 s SER 559 N -1.35 6.24 0.31 0.00 1.04 -1.26 -4.98 113.70 113.70 3fg6 s SER 559 Ca 0.22 1.33 0.02 0.00 0.48 0.00 0.00 55.95 58.00 3fg6 s SER 559 Cb -0.13 -2.43 0.53 0.00 0.10 0.00 0.00 66.02 64.08 3fg6 s SER 559 CO 0.11 -0.81 1.86 -0.61 0.98 0.00 0.00 173.24 174.77 3fg6 h GLN 560 N -0.21 0.65 -0.30 4.02 5.75 -2.00 -2.33 115.11 120.71 3fg6 h GLN 560 Ca -0.45 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 57.89 3fg6 h GLN 560 Cb 1.19 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 3fg6 h GLN 560 CO 0.62 0.63 0.07 0.93 -2.65 0.00 0.00 178.83 178.43 3fg6 h GLU 561 N 0.63 0.43 -0.12 1.69 3.07 -2.00 -1.60 114.58 116.68 3fg6 h GLU 561 Ca 0.14 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.80 3fg6 h GLU 561 Cb 0.30 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3fg6 h GLU 561 CO 0.00 0.40 -0.53 0.93 -1.40 0.00 0.00 179.01 178.41 3fg6 h GLU 562 N 0.42 0.35 -0.37 2.33 5.08 -1.79 -2.20 114.58 118.41 3fg6 h GLU 562 Ca 0.10 -0.21 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3fg6 h GLU 562 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3fg6 h GLU 562 CO -0.00 0.80 -0.24 1.49 -1.00 0.00 0.00 179.01 180.05 3fg6 h GLU 563 N 0.27 0.74 -0.65 2.33 4.81 -1.02 -1.94 114.58 119.12 3fg6 h GLU 563 Ca 0.01 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3fg6 h GLU 563 Cb 1.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3fg6 h GLU 563 CO 0.09 0.91 0.20 0.87 -0.73 0.00 0.00 179.01 180.35 3fg6 h LYS 564 N 0.65 1.02 -0.49 1.92 1.57 -1.15 -1.43 116.57 118.67 3fg6 h LYS 564 Ca 0.09 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3fg6 h LYS 564 Cb 0.75 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3fg6 h LYS 564 CO 0.06 0.90 0.30 0.78 -0.57 0.00 0.00 179.45 180.91 3fg6 h GLY 565 N 0.95 0.70 0.20 3.86 0.00 -1.31 -1.69 103.07 105.78 3fg6 h GLY 565 Ca 0.21 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3fg6 h GLY 565 CO -0.01 0.28 -0.27 0.00 0.00 0.00 0.00 176.54 176.55 3fg6 h ALA 566 N 1.15 -0.24 -0.01 3.60 0.00 -1.10 -1.43 119.26 121.22 3fg6 h ALA 566 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3fg6 h ALA 566 Cb -0.02 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fg6 h ALA 566 CO -0.03 -0.72 0.01 0.93 0.00 0.00 0.00 179.25 179.44 3fg6 h GLU 567 N -0.32 0.00 0.00 0.00 5.08 -1.06 -2.13 114.58 116.15 3fg6 h GLU 567 Ca 0.11 0.00 -0.08 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 29.74 3fg6 h GLU 567 CO -0.34 0.00 -0.32 -0.92 -1.00 0.00 0.00 179.01 176.43 3fg6 h TYR 568 N 0.00 0.32 -0.73 4.33 3.20 -0.33 -3.14 116.97 120.61 3fg6 h TYR 568 Ca 0.00 -0.17 0.02 0.00 3.14 0.00 0.00 58.73 61.72 3fg6 h TYR 568 Cb 0.03 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 3fg6 h TYR 568 CO 0.00 0.98 0.47 0.28 -1.64 0.00 0.00 178.16 178.26 3fg6 h VAL 569 N -0.44 1.14 -0.68 1.81 2.07 -0.94 -2.32 116.25 116.89 3fg6 h VAL 569 Ca -0.04 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.30 3fg6 h VAL 569 Cb 1.07 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.84 3fg6 h VAL 569 CO 0.06 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.83 3fg6 h ALA 570 N 1.29 0.69 0.00 1.67 0.00 -1.48 0.19 119.26 121.62 3fg6 h ALA 570 Ca 0.28 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.29 3fg6 h ALA 570 Cb -0.04 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3fg6 h ALA 570 CO -0.09 -0.40 -0.54 0.66 0.00 0.00 0.00 179.25 178.89 3fg6 h SER 571 N 0.12 0.00 -0.11 0.00 4.64 -1.39 0.11 113.55 116.92 3fg6 h SER 571 Ca 0.36 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 3fg6 h SER 571 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3fg6 h SER 571 CO -0.59 0.54 -0.63 0.58 -0.87 0.00 0.00 176.83 175.86 3fg6 h VAL 572 N 0.00 1.30 -0.00 0.95 2.07 -0.65 -3.09 116.25 116.83 3fg6 h VAL 572 Ca -0.01 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3fg6 h VAL 572 Cb 0.96 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3fg6 h VAL 572 CO 0.07 0.59 -0.04 0.18 0.02 0.00 0.00 177.57 178.38 3fg6 n LEU 573 N -3.96 0.35 -3.70 2.57 4.77 0.53 -4.93 117.00 112.63 3fg6 n LEU 573 Ca -0.05 0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 3fg6 n LEU 573 Cb 0.66 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 3fg6 n LEU 573 CO 0.50 0.06 -0.09 0.29 -1.33 0.00 0.00 177.39 176.82 3fg6 n LYS 574 N -0.91 -2.79 -4.84 3.23 5.02 -0.42 -4.97 118.16 112.47 3fg6 n LYS 574 Ca 0.18 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.67 3fg6 n LYS 574 Cb 0.23 -4.67 -0.16 0.00 -0.02 0.00 0.00 35.03 30.41 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 0.56 3.21 -0.01 0.00 2.20 -1.18 -4.65 119.74 119.87 3fg6 s LYS 576 Ca -0.11 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 3fg6 s LYS 576 Cb -0.16 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 31.98 3fg6 s LYS 576 CO 0.04 -1.64 0.18 0.95 -0.36 0.00 0.00 175.35 174.53 3fg6 s THR 577 N 3.96 5.43 -0.13 3.43 -4.23 -1.26 -1.49 115.64 121.35 3fg6 s THR 577 Ca 0.26 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.60 3fg6 s THR 577 Cb -0.15 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 3fg6 s THR 577 CO 0.14 0.33 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.30 3fg6 s LEU 578 N -1.92 3.26 -0.19 4.79 2.96 0.45 -4.92 118.68 123.12 3fg6 s LEU 578 Ca 0.27 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.91 3fg6 s LEU 578 Cb -0.13 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3fg6 s LEU 578 CO 0.18 0.22 0.53 -0.60 -1.32 0.00 0.00 176.35 175.37 3fg6 s ARG 579 N 0.03 4.21 0.08 1.98 3.52 -1.26 -1.21 118.95 126.31 3fg6 s ARG 579 Ca 0.00 0.45 0.05 0.00 -0.13 0.00 0.00 55.73 56.10 3fg6 s ARG 579 Cb -0.13 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 3fg6 s ARG 579 CO 0.03 -0.12 -0.13 0.96 -0.81 0.00 0.00 175.30 175.23 3fg6 s ILE 580 N 1.53 1.04 0.09 4.11 -4.36 -0.19 -4.97 121.20 118.45 3fg6 s ILE 580 Ca 0.25 -1.38 0.06 0.00 -0.26 0.00 0.00 60.65 59.32 3fg6 s ILE 580 Cb -0.15 -1.11 -0.04 0.00 1.25 0.00 0.00 42.46 42.41 3fg6 s ILE 580 CO 0.10 -0.32 -0.04 -1.58 0.24 0.00 0.00 174.94 173.34 3fg6 s GLN 581 N -1.99 2.37 0.08 0.37 0.74 -1.26 -1.01 119.66 118.97 3fg6 s GLN 581 Ca -0.01 -0.91 -0.33 0.00 0.05 0.00 0.00 55.36 54.16 3fg6 s GLN 581 Cb -0.08 -2.44 -0.12 0.00 1.10 0.00 0.00 33.01 31.46 3fg6 s GLN 581 CO 0.02 0.53 1.73 -1.91 -0.55 0.00 0.00 175.29 175.11 3fg6 n GLU 582 N 0.67 2.32 0.00 1.67 2.13 -0.62 -0.73 120.64 126.07 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 3.91 3.34 0.80 8.31 0.00 -1.26 -4.86 105.19 115.42 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 -1.62 1.94 -2.11 1.61 4.71 0.09 -5.04 120.64 120.23 3fg6 n GLU 584 Ca 0.00 -3.02 -0.42 0.00 -0.01 0.00 0.00 57.16 53.72 3fg6 n GLU 584 Cb 0.00 -1.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.67 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 -3.08 4.32 1.06 3.49 8.01 -1.17 -4.51 118.70 126.82 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 0.36 -3.17 0.22 0.00 -4.31 0.00 0.00 34.13 27.23 3fg6 s GLU 585 CO 0.01 -0.37 1.11 -1.25 0.01 0.00 0.00 175.26 174.77 3fg6 s PRO 586 N 0.07 -0.06 0.37 0.39 0.04 -1.26 -4.97 135.00 129.58 3fg6 s PRO 586 Ca 0.60 0.25 0.23 0.00 0.04 0.00 0.00 61.00 62.12 3fg6 s PRO 586 Cb -0.39 -1.70 0.35 0.00 0.04 0.00 0.00 34.50 32.80 3fg6 s PRO 586 CO 0.38 -3.00 1.55 1.49 0.04 0.00 0.00 177.00 177.46 3fg6 h GLU 587 N -2.08 0.00 0.00 4.56 4.57 -2.02 -3.21 114.58 116.40 3fg6 h GLU 587 Ca -0.51 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 3fg6 h GLU 587 Cb 1.32 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 3fg6 h GLU 587 CO 0.50 0.00 -0.24 1.49 -1.18 0.00 0.00 179.01 179.59 3fg6 h GLU 588 N 0.00 0.00 -0.65 1.92 4.81 -2.00 -3.00 114.58 115.66 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 0.96 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.31 3fg6 h GLU 588 CO 0.00 0.24 0.40 0.35 -0.73 0.00 0.00 179.01 179.27 3fg6 h PHE 589 N 0.00 0.85 -0.22 0.92 3.04 -1.94 -2.07 116.94 117.51 3fg6 h PHE 589 Ca -0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 3fg6 h PHE 589 Cb 0.99 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 3fg6 h PHE 589 CO 0.00 0.56 -0.47 -1.49 -2.02 0.00 0.00 178.31 174.89 3fg6 h TRP 590 N 0.88 0.71 -0.56 0.41 4.06 -1.70 -2.99 115.95 116.76 3fg6 h TRP 590 Ca 0.24 -0.23 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3fg6 h TRP 590 Cb -0.05 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 3fg6 h TRP 590 CO -0.02 0.94 0.25 -0.91 -3.56 0.00 0.00 178.44 175.15 3fg6 h ASN 591 N 0.46 0.72 1.19 -3.49 4.21 -1.37 0.48 115.58 117.79 3fg6 h ASN 591 Ca 0.03 -0.08 -0.08 0.00 1.21 0.00 0.00 56.30 57.37 3fg6 h ASN 591 Cb 1.00 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 3fg6 h ASN 591 CO 0.09 0.63 -0.40 0.28 -1.29 0.00 0.00 177.43 176.74 3fg6 h SER 592 N 0.80 0.00 0.03 5.81 0.02 -1.31 -2.47 113.55 116.43 3fg6 h SER 592 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3fg6 h SER 592 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3fg6 h SER 592 CO -0.02 0.40 -0.03 0.18 -1.14 0.00 0.00 176.83 176.22 3fg6 n LEU 593 N -3.35 1.04 -0.90 5.07 4.77 -1.08 -4.94 117.00 117.62 3fg6 n LEU 593 Ca 0.01 -0.33 -0.03 0.00 -0.03 0.00 0.00 56.01 55.63 3fg6 n LEU 593 Cb 0.60 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 3fg6 n LEU 593 CO 0.38 0.18 0.03 0.61 -1.33 0.00 0.00 177.39 177.26 3fg6 n GLY 594 N 1.15 0.77 0.00 -0.72 0.00 -0.93 -4.24 105.19 101.22 3fg6 n GLY 594 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.70 2.61 3.68 -0.02 0.00 0.16 -5.00 105.19 105.93 3fg6 n GLY 595 Ca 0.00 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 -3.96 4.33 0.35 1.61 2.20 -1.26 -4.61 119.74 118.40 3fg6 s LYS 596 Ca 0.00 1.05 0.04 0.00 -0.36 0.00 0.00 55.97 56.69 3fg6 s LYS 596 Cb 0.00 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3fg6 s LYS 596 CO 0.00 -0.29 0.13 0.15 -0.36 0.00 0.00 175.35 174.99 3fg6 s LYS 597 N 2.00 1.75 0.08 4.03 1.02 -1.26 -5.11 119.74 122.25 3fg6 s LYS 597 Ca 0.39 -2.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.05 3fg6 s LYS 597 Cb -0.17 -0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 3fg6 s LYS 597 CO 0.14 -0.43 1.01 -0.51 -0.92 0.00 0.00 175.35 174.63 3fg6 s ASP 598 N -3.49 7.39 0.00 2.83 1.01 -1.26 -4.77 116.67 118.38 3fg6 s ASP 598 Ca 0.31 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.38 3fg6 s ASP 598 Cb 0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3fg6 s ASP 598 CO 0.16 -0.18 0.00 0.00 0.21 0.00 0.00 175.17 175.36 3fg6 n TYR 599 N 3.17 0.00 -2.65 4.23 0.18 -1.26 -4.33 117.16 116.50 3fg6 n TYR 599 Ca 0.04 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.40 3fg6 n TYR 599 Cb 0.49 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.42 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 1.26 3.58 -0.01 -3.48 -0.21 -0.79 -4.68 119.66 115.32 3fg6 s GLN 600 Ca 0.00 -1.24 -0.05 0.00 0.02 0.00 0.00 55.36 54.09 3fg6 s GLN 600 Cb 0.00 -5.21 0.00 0.00 1.00 0.00 0.00 33.01 28.80 3fg6 s GLN 600 CO 0.00 -2.11 0.11 0.99 -2.12 0.00 0.00 175.29 172.16 3fg6 s THR 601 N 4.48 0.06 -0.03 -0.19 2.01 -1.26 -2.62 115.64 118.08 3fg6 s THR 601 Ca 0.42 -0.49 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 3fg6 s THR 601 Cb -0.01 -0.32 0.11 0.00 0.01 0.00 0.00 72.50 72.28 3fg6 s THR 601 CO -0.09 -0.27 0.95 -0.94 -0.69 0.00 0.00 174.62 173.58 3fg6 s SER 602 N -0.90 -0.32 0.58 3.53 1.04 -1.26 -4.78 113.70 111.59 3fg6 s SER 602 Ca -0.10 -0.01 0.30 0.00 0.48 0.00 0.00 55.95 56.62 3fg6 s SER 602 Cb -0.06 0.34 1.40 0.00 0.10 0.00 0.00 66.02 67.80 3fg6 s SER 602 CO 0.01 -0.56 1.77 -0.65 0.98 0.00 0.00 173.24 174.79 3fg6 h PRO 603 N 2.00 0.00 0.00 4.02 0.11 -2.02 0.39 132.00 136.50 3fg6 h PRO 603 Ca -0.20 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.58 3fg6 h PRO 603 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3fg6 h PRO 603 CO 0.29 0.00 -2.08 -0.11 -0.21 0.00 0.00 178.00 175.90 3fg6 n LEU 604 N -3.74 0.40 0.08 2.35 7.94 -1.26 -3.73 117.00 119.05 3fg6 n LEU 604 Ca 0.15 0.19 -0.05 0.00 -1.11 0.00 0.00 56.01 55.19 3fg6 n LEU 604 Cb 0.97 0.35 0.11 0.00 0.53 0.00 0.00 43.42 45.38 3fg6 n LEU 604 CO 0.30 0.45 0.47 -0.07 -1.11 0.00 0.00 177.39 177.43 3fg6 h LEU 605 N 0.00 0.28 -0.47 -1.96 3.38 -1.61 -3.24 115.31 111.68 3fg6 h LEU 605 Ca -0.43 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.28 3fg6 h LEU 605 Cb 2.14 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.80 3fg6 h LEU 605 CO 0.05 0.82 -0.09 -0.33 0.09 0.00 0.00 178.44 178.98 3fg6 h GLU 606 N 0.18 0.90 -6.40 1.13 5.08 -0.45 -2.91 114.58 112.11 3fg6 h GLU 606 Ca -0.01 -0.33 -0.54 0.00 -1.00 0.00 0.00 59.36 57.48 3fg6 h GLU 606 Cb 1.12 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3fg6 h GLU 606 CO 0.10 0.98 0.70 0.95 -1.00 0.00 0.00 179.01 180.74 3fg6 s THR 607 N -4.84 3.95 -1.12 1.13 -4.23 -1.23 -1.68 115.64 107.62 3fg6 s THR 607 Ca -0.12 1.35 -0.22 0.00 -1.18 0.00 0.00 61.69 61.52 3fg6 s THR 607 Cb 0.12 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3fg6 s THR 607 CO 0.84 0.04 1.70 -1.58 -0.54 0.00 0.00 174.62 175.08 3fg6 s GLN 608 N 1.87 3.37 -0.30 3.99 0.74 -1.26 -4.67 119.66 123.40 3fg6 s GLN 608 Ca 0.60 -1.27 -0.15 0.00 0.05 0.00 0.00 55.36 54.59 3fg6 s GLN 608 Cb -0.29 -5.35 0.15 0.00 1.10 0.00 0.00 33.01 28.62 3fg6 s GLN 608 CO 0.26 -2.70 0.93 0.00 -0.55 0.00 0.00 175.29 173.23 3fg6 s ALA 609 N 6.54 -2.47 -1.43 1.58 0.00 -1.26 -5.02 121.76 119.69 3fg6 s ALA 609 Ca 0.56 2.15 -0.13 0.00 0.00 0.00 0.00 51.96 54.53 3fg6 s ALA 609 Cb 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 23.12 21.28 3fg6 s ALA 609 CO 0.01 -0.76 2.16 -1.91 0.00 0.00 0.00 175.76 175.27 3fg6 n GLU 610 N 4.65 2.97 -0.03 0.00 0.00 -1.26 -4.67 120.64 122.29 3fg6 n GLU 610 Ca -0.13 -2.75 -0.14 0.00 0.00 0.00 0.00 57.16 54.14 3fg6 n GLU 610 Cb 0.54 -3.24 -0.10 0.00 0.00 0.00 0.00 31.44 28.64 3fg6 n GLU 610 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3fg6 h ASP 611 N 6.01 0.30 -2.28 4.31 3.58 -1.95 -3.43 116.42 122.95 3fg6 h ASP 611 Ca 0.54 -0.64 -0.14 0.00 0.42 0.00 0.00 57.03 57.21 3fg6 h ASP 611 Cb 0.65 -0.09 -0.29 0.00 1.72 0.00 0.00 39.33 41.32 3fg6 h ASP 611 CO 1.84 0.89 -0.44 -2.28 -2.88 0.00 0.00 179.24 176.37 3fg6 s HIS 612 N -3.65 -0.76 0.24 0.28 2.46 -1.26 -5.14 115.29 107.46 3fg6 s HIS 612 Ca -0.15 1.15 -0.30 0.00 0.47 0.00 0.00 55.06 56.23 3fg6 s HIS 612 Cb 0.03 0.13 -0.10 0.00 -0.13 0.00 0.00 32.58 32.52 3fg6 s HIS 612 CO 0.75 -0.57 1.38 -1.25 -2.47 0.00 0.00 174.74 172.57 3fg6 s PRO 613 N 2.56 4.32 0.20 2.88 0.04 -1.26 -4.86 135.00 138.88 3fg6 s PRO 613 Ca 0.05 2.20 -0.32 0.00 0.04 0.00 0.00 61.00 62.97 3fg6 s PRO 613 Cb -0.14 -3.13 -0.12 0.00 0.04 0.00 0.00 34.50 31.15 3fg6 s PRO 613 CO -0.14 -0.33 1.71 -0.35 0.04 0.00 0.00 177.00 177.93 3fg6 n PRO 614 N 2.22 2.69 -5.12 0.56 -0.04 -1.26 -4.94 135.00 129.10 3fg6 n PRO 614 Ca 0.06 0.97 -0.32 0.00 -0.04 0.00 0.00 63.50 64.17 3fg6 n PRO 614 Cb 0.41 -2.81 -0.16 0.00 -0.04 0.00 0.00 33.50 30.90 3fg6 n PRO 614 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fg6 s ARG 615 N 1.18 2.91 -0.11 0.54 0.52 -0.82 -4.99 118.95 118.17 3fg6 s ARG 615 Ca 0.76 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 3fg6 s ARG 615 Cb -0.53 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 3fg6 s ARG 615 CO 0.33 0.29 -0.11 -1.17 0.02 0.00 0.00 175.30 174.65 3fg6 s LEU 616 N 0.10 2.84 0.04 2.53 2.96 -1.26 -1.05 118.68 124.84 3fg6 s LEU 616 Ca -0.10 -0.25 0.08 0.00 -0.22 0.00 0.00 54.13 53.65 3fg6 s LEU 616 Cb -0.16 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3fg6 s LEU 616 CO 0.06 0.22 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.75 3fg6 s TYR 617 N 0.05 2.13 -0.32 5.38 1.51 0.11 0.26 117.35 126.47 3fg6 s TYR 617 Ca -0.04 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 3fg6 s TYR 617 Cb -0.14 -1.28 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 3fg6 s TYR 617 CO 0.04 0.10 0.21 0.20 -1.11 0.00 0.00 175.55 174.99 3fg6 s GLY 618 N -1.15 1.94 -0.28 0.71 0.00 0.61 -1.15 107.32 108.00 3fg6 s GLY 618 Ca 0.10 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 3fg6 s GLY 618 CO 0.02 0.74 0.08 0.00 0.00 0.00 0.00 173.10 173.94 3fg6 s SER 620 N 1.56 0.33 -0.05 0.00 0.15 -0.86 -1.69 113.70 113.14 3fg6 s SER 620 Ca 0.04 -1.09 0.11 0.00 0.70 0.00 0.00 55.95 55.72 3fg6 s SER 620 Cb -0.16 0.28 0.21 0.00 -1.71 0.00 0.00 66.02 64.64 3fg6 s SER 620 CO 0.03 -0.70 1.10 -0.46 1.20 0.00 0.00 173.24 174.40 3fg6 n ASN 621 N -0.04 0.89 0.28 5.45 2.04 -1.26 -0.78 115.26 121.83 3fg6 n ASN 621 Ca -0.09 -2.41 0.16 0.00 -0.44 0.00 0.00 54.58 51.79 3fg6 n ASN 621 Cb 0.63 -0.30 0.77 0.00 -2.53 0.00 0.00 39.78 38.34 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 0.37 0.00 -0.35 -3.83 2.10 -1.97 -1.97 116.57 110.91 3fg6 h LYS 622 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3fg6 h LYS 622 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 3fg6 h LYS 622 CO 0.03 0.08 0.00 0.25 -2.00 0.00 0.00 179.45 177.80 3fg6 n THR 623 N -3.35 0.46 0.00 0.07 -2.24 -1.26 -4.96 114.28 103.00 3fg6 n THR 623 Ca -0.01 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3fg6 n THR 623 Cb 0.25 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 1.13 2.18 3.81 3.38 0.00 -0.74 -4.99 105.19 109.95 3fg6 n GLY 624 Ca 0.14 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 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 3.66 -0.44 1.61 1.81 -1.26 -4.93 118.95 119.40 3fg6 s ARG 625 Ca 0.00 1.23 -0.26 0.00 -1.72 0.00 0.00 55.73 54.99 3fg6 s ARG 625 Cb 0.00 -2.08 0.02 0.00 -0.45 0.00 0.00 34.95 32.44 3fg6 s ARG 625 CO 0.00 -0.54 0.95 0.12 -0.68 0.00 0.00 175.30 175.15 3fg6 s PHE 626 N -2.26 2.95 -0.09 -0.53 5.36 -1.26 -4.33 117.98 117.82 3fg6 s PHE 626 Ca 0.64 0.53 0.04 0.00 -0.96 0.00 0.00 56.93 57.19 3fg6 s PHE 626 Cb -0.15 -3.93 -0.01 0.00 -0.34 0.00 0.00 43.02 38.59 3fg6 s PHE 626 CO 0.28 -1.04 -0.23 0.14 -1.46 0.00 0.00 175.22 172.91 3fg6 s VAL 627 N 3.75 2.21 -0.25 3.12 -7.23 0.04 -4.98 120.40 117.07 3fg6 s VAL 627 Ca 0.39 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.47 3fg6 s VAL 627 Cb -0.10 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.95 3fg6 s VAL 627 CO 0.25 0.56 0.16 -0.63 -0.31 0.00 0.00 175.10 175.13 3fg6 s ILE 628 N 0.16 5.30 0.02 -0.62 1.01 -1.26 -2.02 121.20 123.80 3fg6 s ILE 628 Ca -0.13 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.73 3fg6 s ILE 628 Cb -0.16 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 3fg6 s ILE 628 CO 0.07 0.33 -0.13 -1.83 0.00 0.00 0.00 174.94 173.37 3fg6 s GLU 629 N 1.20 0.94 0.29 2.79 -1.05 0.15 -4.94 118.70 118.07 3fg6 s GLU 629 Ca 0.07 -0.66 -0.28 0.00 -0.15 0.00 0.00 54.97 53.95 3fg6 s GLU 629 Cb -0.14 -0.93 -0.09 0.00 -0.44 0.00 0.00 34.13 32.53 3fg6 s GLU 629 CO 0.06 0.24 0.95 -2.00 0.95 0.00 0.00 175.26 175.45 3fg6 s GLU 630 N -0.89 4.70 -0.18 -4.83 2.12 -1.26 0.22 118.70 118.59 3fg6 s GLU 630 Ca 0.02 1.42 -0.29 0.00 0.36 0.00 0.00 54.97 56.48 3fg6 s GLU 630 Cb -0.07 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.30 3fg6 s GLU 630 CO 0.01 0.38 1.04 0.42 -0.54 0.00 0.00 175.26 176.57 3fg6 s ILE 631 N -1.41 4.69 0.29 -3.70 -1.09 0.14 -4.81 121.20 115.31 3fg6 s ILE 631 Ca 0.46 2.00 -0.19 0.00 -2.23 0.00 0.00 60.65 60.69 3fg6 s ILE 631 Cb -0.22 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.28 3fg6 s ILE 631 CO 0.28 -0.11 0.78 -2.16 -1.23 0.00 0.00 174.94 172.50 3fg6 s PRO 632 N 2.79 4.22 1.49 2.79 0.04 -1.26 -4.67 135.00 140.40 3fg6 s PRO 632 Ca 0.46 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3fg6 s PRO 632 Cb -0.17 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.73 3fg6 s PRO 632 CO 0.11 0.25 0.00 0.41 0.04 0.00 0.00 177.00 177.81 3fg6 n GLY 633 N 0.19 -1.68 3.77 0.56 0.00 -1.26 -4.76 105.19 102.02 3fg6 n GLY 633 Ca 0.01 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 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 4.18 0.18 1.61 0.41 -1.26 -5.03 118.70 118.79 3fg6 s GLU 634 Ca 0.00 2.47 0.09 0.00 -0.41 0.00 0.00 54.97 57.12 3fg6 s GLU 634 Cb 0.00 -3.00 -0.04 0.00 -1.78 0.00 0.00 34.13 29.31 3fg6 s GLU 634 CO 0.00 -0.44 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.66 3fg6 s PHE 635 N -1.05 2.67 0.35 1.61 -0.12 -1.26 -4.85 117.98 115.32 3fg6 s PHE 635 Ca 0.52 -0.21 0.08 0.00 -0.05 0.00 0.00 56.93 57.27 3fg6 s PHE 635 Cb -0.45 -1.30 -0.03 0.00 -0.63 0.00 0.00 43.02 40.62 3fg6 s PHE 635 CO 0.59 0.52 0.27 0.95 -0.05 0.00 0.00 175.22 177.51 3fg6 s THR 636 N -1.73 0.04 0.27 -4.49 -4.23 -1.26 -4.61 115.64 99.63 3fg6 s THR 636 Ca 0.25 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 3fg6 s THR 636 Cb -0.09 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.53 3fg6 s THR 636 CO 0.16 0.00 1.72 -0.61 -0.54 0.00 0.00 174.62 175.34 3fg6 h GLN 637 N 2.07 0.43 0.00 3.99 4.15 -1.96 -0.97 115.11 122.81 3fg6 h GLN 637 Ca -0.25 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3fg6 h GLN 637 Cb 1.23 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3fg6 h GLN 637 CO 0.37 0.28 0.00 -0.25 -1.93 0.00 0.00 178.83 177.30 3fg6 n ASP 638 N -5.02 0.00 0.19 -0.69 9.92 -1.26 -1.84 116.55 117.85 3fg6 n ASP 638 Ca 0.18 0.36 0.13 0.00 -0.53 0.00 0.00 54.79 54.94 3fg6 n ASP 638 Cb 0.53 -0.43 0.39 0.00 -0.64 0.00 0.00 41.12 40.96 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 -2.50 -2.24 3.32 -1.58 -3.43 116.42 109.99 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 0.26 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 3fg6 h ASP 639 CO 0.00 0.00 1.20 -0.76 -1.72 0.00 0.00 179.24 177.96 3fg6 s LEU 640 N -5.50 3.36 -0.42 1.55 1.43 -0.77 -4.93 118.68 113.41 3fg6 s LEU 640 Ca 0.06 0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 53.26 3fg6 s LEU 640 Cb 0.08 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3fg6 s LEU 640 CO 0.59 -1.93 1.97 0.00 0.23 0.00 0.00 176.35 177.21 3fg6 s ALA 641 N 7.08 2.46 0.59 4.21 0.00 -1.26 -4.84 121.76 129.99 3fg6 s ALA 641 Ca 0.59 0.05 0.30 0.00 0.00 0.00 0.00 51.96 52.90 3fg6 s ALA 641 Cb -0.13 -4.15 1.35 0.00 0.00 0.00 0.00 23.12 20.19 3fg6 s ALA 641 CO 0.24 -3.29 1.71 1.49 0.00 0.00 0.00 175.76 175.91 3fg6 h GLU 642 N 14.83 0.00 -0.40 0.00 4.81 -1.93 -1.52 114.58 130.38 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 30.57 3fg6 h GLU 642 CO 1.09 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.97 3fg6 n ASP 643 N -3.65 3.65 -0.76 1.04 5.75 -1.26 -2.61 116.55 118.70 3fg6 n ASP 643 Ca 0.16 -2.41 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 3fg6 n ASP 643 Cb 1.02 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.36 0.00 -4.45 -1.12 10.43 -0.57 -3.79 116.55 117.40 3fg6 n ASP 644 Ca 0.18 -0.76 -0.33 0.00 2.57 0.00 0.00 54.79 56.45 3fg6 n ASP 644 Cb 0.68 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.50 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 -1.77 3.06 -0.12 2.53 1.01 -0.68 -1.86 120.40 122.57 3fg6 s VAL 645 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3fg6 s VAL 645 Cb 0.00 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 3fg6 s VAL 645 CO 0.00 0.57 -0.14 -0.04 0.00 0.00 0.00 175.10 175.49 3fg6 s MET 646 N -0.43 3.26 -0.26 2.72 1.00 0.31 0.13 119.30 126.04 3fg6 s MET 646 Ca 0.05 -0.70 -0.10 0.00 0.00 0.00 0.00 55.69 54.95 3fg6 s MET 646 Cb -0.12 -2.58 -0.04 0.00 0.00 0.00 0.00 34.83 32.09 3fg6 s MET 646 CO 0.02 0.26 0.14 -0.51 0.00 0.00 0.00 175.02 174.93 3fg6 s LEU 647 N 0.22 3.84 -0.35 -0.03 1.43 -0.30 0.00 118.68 123.50 3fg6 s LEU 647 Ca -0.09 -0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3fg6 s LEU 647 Cb -0.15 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.09 3fg6 s LEU 647 CO 0.05 -0.02 0.09 -0.22 0.23 0.00 0.00 176.35 176.48 3fg6 s LEU 648 N 1.58 4.49 -0.69 1.79 2.96 0.07 0.08 118.68 128.95 3fg6 s LEU 648 Ca 0.07 -1.60 -0.25 0.00 -0.22 0.00 0.00 54.13 52.12 3fg6 s LEU 648 Cb -0.15 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.83 3fg6 s LEU 648 CO 0.08 -0.38 1.11 -0.62 -1.32 0.00 0.00 176.35 175.22 3fg6 s ASP 649 N 1.46 6.18 -0.11 3.68 2.15 -0.21 -0.61 116.67 129.20 3fg6 s ASP 649 Ca 0.01 -0.70 0.12 0.00 0.43 0.00 0.00 52.55 52.41 3fg6 s ASP 649 Cb -0.21 -2.49 0.53 0.00 -0.30 0.00 0.00 42.92 40.46 3fg6 s ASP 649 CO -0.02 -1.62 1.37 0.00 -0.17 0.00 0.00 175.17 174.73 3fg6 n ALA 650 N 8.49 3.11 0.00 3.66 0.00 0.22 -1.95 120.51 134.04 3fg6 n ALA 650 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3fg6 n ALA 650 Cb 0.47 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.63 0.00 0.56 0.00 -0.00 -1.26 -3.98 117.44 113.39 3fg6 n TRP 651 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.80 3fg6 n TRP 651 Cb 0.75 0.00 0.44 0.00 -0.00 0.00 0.00 31.31 32.50 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 0.13 -3.59 5.87 0.28 -1.26 -4.82 120.64 117.24 3fg6 n GLU 652 Ca 0.00 0.27 -0.14 0.00 -0.16 0.00 0.00 57.16 57.13 3fg6 n GLU 652 Cb 0.00 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.10 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 -3.14 0.83 -0.18 3.44 0.74 -1.26 -4.31 119.66 115.78 3fg6 s GLN 653 Ca 0.08 0.59 -0.00 0.00 0.05 0.00 0.00 55.36 56.08 3fg6 s GLN 653 Cb 0.11 0.40 0.01 0.00 1.10 0.00 0.00 33.01 34.63 3fg6 s GLN 653 CO 0.42 -0.18 -0.15 0.42 -0.55 0.00 0.00 175.29 175.25 3fg6 s ILE 654 N -0.33 2.55 -0.14 -2.34 1.01 -0.71 -0.61 121.20 120.63 3fg6 s ILE 654 Ca -0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 3fg6 s ILE 654 Cb -0.03 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.30 3fg6 s ILE 654 CO 0.03 0.51 0.16 -0.36 0.00 0.00 0.00 174.94 175.28 3fg6 s PHE 655 N 1.17 3.54 -0.34 3.97 0.08 0.22 -0.96 117.98 125.66 3fg6 s PHE 655 Ca 0.01 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.56 3fg6 s PHE 655 Cb -0.14 -2.05 0.08 0.00 -0.57 0.00 0.00 43.02 40.34 3fg6 s PHE 655 CO -0.06 0.57 0.07 0.42 -0.10 0.00 0.00 175.22 176.12 3fg6 s ILE 656 N -0.54 2.97 -0.29 0.64 1.01 -0.53 -0.75 121.20 123.71 3fg6 s ILE 656 Ca 0.14 -1.75 -0.19 0.00 0.00 0.00 0.00 60.65 58.85 3fg6 s ILE 656 Cb -0.12 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.45 3fg6 s ILE 656 CO 0.03 -0.37 0.56 0.86 0.00 0.00 0.00 174.94 176.02 3fg6 s TRP 657 N 1.16 3.24 -0.31 3.97 -0.00 0.10 0.03 118.94 127.13 3fg6 s TRP 657 Ca 0.01 0.57 -0.11 0.00 -0.00 0.00 0.00 56.10 56.57 3fg6 s TRP 657 Cb -0.21 -2.85 -0.03 0.00 -0.00 0.00 0.00 33.47 30.39 3fg6 s TRP 657 CO -0.03 -0.38 0.20 0.42 -0.00 0.00 0.00 176.95 177.15 3fg6 s ILE 658 N 2.43 5.13 0.57 5.86 1.01 0.96 -0.53 121.20 136.64 3fg6 s ILE 658 Ca 0.22 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3fg6 s ILE 658 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3fg6 s ILE 658 CO 0.11 0.11 1.10 -0.83 0.00 0.00 0.00 174.94 175.43 3fg6 s GLY 659 N 1.71 2.43 0.07 6.18 0.00 -0.78 -1.96 107.32 114.97 3fg6 s GLY 659 Ca 0.06 0.67 0.04 0.00 0.00 0.00 0.00 44.72 45.50 3fg6 s GLY 659 CO 0.10 1.02 1.07 0.58 0.00 0.00 0.00 173.10 175.87 3fg6 n LYS 660 N -1.64 0.03 -0.25 2.90 2.85 -1.07 -2.37 118.16 118.60 3fg6 n LYS 660 Ca 0.11 0.48 0.06 0.00 -1.05 0.00 0.00 58.31 57.91 3fg6 n LYS 660 Cb 0.52 -1.65 0.09 0.00 -0.65 0.00 0.00 35.03 33.33 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 -1.60 1.46 -4.82 -5.58 8.00 -1.11 -5.05 116.55 107.84 3fg6 n ASP 661 Ca -0.00 -2.69 -0.33 0.00 0.71 0.00 0.00 54.79 52.48 3fg6 n ASP 661 Cb 0.07 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 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 -1.80 3.08 0.86 2.24 0.00 -1.00 -4.57 121.76 120.57 3fg6 s ALA 662 Ca 0.20 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3fg6 s ALA 662 Cb 0.18 -3.10 0.11 0.00 0.00 0.00 0.00 23.12 20.31 3fg6 s ALA 662 CO 0.02 0.15 1.15 -0.80 0.00 0.00 0.00 175.76 176.28 3fg6 s ASN 663 N -2.20 3.37 0.26 0.00 -0.87 -1.26 -4.95 114.94 109.29 3fg6 s ASN 663 Ca 0.61 2.18 0.08 0.00 -1.57 0.00 0.00 52.86 54.16 3fg6 s ASN 663 Cb -0.09 -2.57 0.32 0.00 -0.02 0.00 0.00 41.25 38.89 3fg6 s ASN 663 CO 0.14 -2.80 1.59 -0.33 -2.57 0.00 0.00 177.10 173.13 3fg6 h GLU 664 N -1.46 0.10 -0.42 -0.60 4.39 -2.00 -2.89 114.58 111.71 3fg6 h GLU 664 Ca -0.44 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.04 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 0.44 0.68 -0.30 -0.39 -1.16 0.00 0.00 179.01 178.28 3fg6 h VAL 665 N 0.08 1.27 -0.59 3.13 -1.51 -1.99 -2.11 116.25 114.52 3fg6 h VAL 665 Ca -0.01 -1.47 0.05 0.00 -1.23 0.00 0.00 66.70 64.05 3fg6 h VAL 665 Cb 1.09 1.27 -0.05 0.00 -2.13 0.00 0.00 31.29 31.47 3fg6 h VAL 665 CO 0.09 0.50 0.31 -0.33 -1.23 0.00 0.00 177.57 176.91 3fg6 h GLU 666 N 0.78 0.58 0.10 5.19 5.08 -1.93 0.26 114.58 124.65 3fg6 h GLU 666 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fg6 h GLU 666 Cb 0.88 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3fg6 h GLU 666 CO 0.08 0.38 -0.05 0.87 -1.00 0.00 0.00 179.01 179.29 3fg6 h LYS 667 N 0.59 -0.13 -0.08 2.33 1.57 -1.37 -2.40 116.57 117.09 3fg6 h LYS 667 Ca 0.26 0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.84 3fg6 h LYS 667 Cb 0.16 0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3fg6 h LYS 667 CO -0.17 -0.05 -0.83 0.87 -0.57 0.00 0.00 179.45 178.70 3fg6 h LYS 668 N -0.18 0.58 -0.41 3.15 6.56 -1.09 -2.47 116.57 122.72 3fg6 h LYS 668 Ca -0.01 -0.52 -0.06 0.00 -1.06 0.00 0.00 60.65 59.00 3fg6 h LYS 668 Cb 0.14 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.90 3fg6 h LYS 668 CO 0.02 1.14 0.01 0.93 -2.06 0.00 0.00 179.45 179.50 3fg6 h GLU 669 N 0.38 0.65 -0.43 3.15 4.39 -0.50 -1.03 114.58 121.20 3fg6 h GLU 669 Ca -0.06 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 3fg6 h GLU 669 Cb 1.44 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.99 3fg6 h GLU 669 CO 0.16 0.66 -0.04 0.77 -1.16 0.00 0.00 179.01 179.40 3fg6 h SER 670 N 0.62 0.77 0.00 1.42 0.02 -1.39 -1.42 113.55 113.57 3fg6 h SER 670 Ca 0.13 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3fg6 h SER 670 Cb 0.37 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3fg6 h SER 670 CO 0.01 0.92 0.00 -0.11 -1.14 0.00 0.00 176.83 176.51 3fg6 n LEU 671 N -4.37 0.00 -0.00 5.07 -0.00 -0.73 -0.47 117.00 116.51 3fg6 n LEU 671 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.02 3fg6 n LEU 671 Cb 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.72 3fg6 n LEU 671 CO 0.42 0.00 -0.29 1.17 -0.00 0.00 0.00 177.39 178.68 3fg6 n LYS 672 N -0.79 2.76 0.02 1.96 4.81 -0.47 -4.24 118.16 122.22 3fg6 n LYS 672 Ca 0.08 -0.02 -0.21 0.00 -0.87 0.00 0.00 58.31 57.29 3fg6 n LYS 672 Cb 0.04 -0.90 -0.14 0.00 0.02 0.00 0.00 35.03 34.05 3fg6 n LYS 672 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 3fg6 h SER 673 N 0.00 0.44 -0.34 3.14 0.02 0.30 -3.22 113.55 113.88 3fg6 h SER 673 Ca 0.00 -0.88 -0.08 0.00 -0.84 0.00 0.00 61.79 59.99 3fg6 h SER 673 Cb 0.13 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3fg6 h SER 673 CO 0.00 1.78 -0.09 0.00 -1.14 0.00 0.00 176.83 177.38 3fg6 h ALA 674 N 0.15 0.47 -0.41 3.77 0.00 -1.31 0.85 119.26 122.78 3fg6 h ALA 674 Ca -0.39 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.30 3fg6 h ALA 674 Cb 2.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3fg6 h ALA 674 CO 0.11 0.32 0.28 0.87 0.00 0.00 0.00 179.25 180.83 3fg6 h LYS 675 N 0.44 0.17 0.15 0.00 1.57 -1.74 -0.76 116.57 116.42 3fg6 h LYS 675 Ca 0.09 -0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.56 3fg6 h LYS 675 Cb 0.59 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.89 3fg6 h LYS 675 CO 0.03 0.12 -1.26 1.98 -0.57 0.00 0.00 179.45 179.75 3fg6 h MET 676 N 0.18 0.58 -3.80 3.15 4.05 -1.52 -3.40 114.93 114.17 3fg6 h MET 676 Ca 0.19 -0.83 -0.62 0.00 -0.28 0.00 0.00 59.70 58.15 3fg6 h MET 676 Cb 0.51 0.29 0.01 0.00 -0.80 0.00 0.00 31.60 31.60 3fg6 h MET 676 CO -0.03 1.38 2.98 0.98 0.23 0.00 0.00 176.91 182.45 3fg6 n TYR 677 N -3.81 2.45 -1.54 1.39 9.36 0.28 -5.10 117.16 120.18 3fg6 n TYR 677 Ca -0.15 -2.51 0.00 0.00 3.32 0.00 0.00 57.90 58.57 3fg6 n TYR 677 Cb 1.00 -2.15 0.00 0.00 -0.63 0.00 0.00 39.34 37.55 3fg6 n TYR 677 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3fg6 n LEU 678 N 5.55 0.00 0.00 2.98 4.77 -1.26 -4.91 117.00 124.14 3fg6 n LEU 678 Ca 0.56 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 3fg6 n LEU 678 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3fg6 n LEU 678 CO 0.89 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 177.36 3fg6 n THR 689 N 0.00 0.00 -1.42 -5.08 -1.04 -1.26 -5.21 114.28 100.27 3fg6 n THR 689 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 3fg6 n THR 689 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 1.47 0.61 -3.52 -2.82 -0.02 -1.26 -4.85 135.00 124.61 3fg6 n PRO 690 Ca 0.00 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 3fg6 n PRO 690 Cb 0.00 -2.29 -0.14 0.00 -0.02 0.00 0.00 33.50 31.05 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 -1.75 0.05 -0.18 4.25 2.07 -1.26 -1.73 121.20 122.65 3fg6 s ILE 691 Ca 0.75 -1.11 -0.12 0.00 -1.41 0.00 0.00 60.65 58.76 3fg6 s ILE 691 Cb -0.35 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.13 3fg6 s ILE 691 CO 0.48 -0.82 0.20 -0.69 -1.91 0.00 0.00 174.94 172.21 3fg6 s VAL 692 N 1.73 5.36 -0.17 4.00 1.01 -0.13 -4.98 120.40 127.22 3fg6 s VAL 692 Ca 0.12 0.35 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 3fg6 s VAL 692 Cb -0.18 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 3fg6 s VAL 692 CO -0.24 0.42 0.27 -0.63 0.00 0.00 0.00 175.10 174.92 3fg6 s ILE 693 N 0.42 5.32 -0.09 2.22 1.01 -1.26 -1.45 121.20 127.36 3fg6 s ILE 693 Ca 0.12 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.29 3fg6 s ILE 693 Cb -0.12 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3fg6 s ILE 693 CO 0.01 0.39 -0.15 -0.63 0.00 0.00 0.00 174.94 174.56 3fg6 s ILE 694 N 0.52 1.38 0.19 2.92 1.09 0.10 -4.95 121.20 122.46 3fg6 s ILE 694 Ca 0.15 -0.60 -0.16 0.00 -1.10 0.00 0.00 60.65 58.95 3fg6 s ILE 694 Cb -0.13 -1.25 -0.08 0.00 -1.06 0.00 0.00 42.46 39.94 3fg6 s ILE 694 CO 0.03 0.41 0.62 -0.54 -0.10 0.00 0.00 174.94 175.37 3fg6 s LYS 695 N 0.78 4.05 0.24 2.79 -0.14 -1.26 -0.02 119.74 126.17 3fg6 s LYS 695 Ca -0.12 0.61 -0.31 0.00 -1.36 0.00 0.00 55.97 54.79 3fg6 s LYS 695 Cb -0.16 -2.85 -0.12 0.00 -1.68 0.00 0.00 37.83 33.03 3fg6 s LYS 695 CO 0.02 0.41 1.68 0.94 -0.76 0.00 0.00 175.35 177.64 3fg6 n GLN 696 N 0.60 2.74 0.00 1.68 7.27 -0.83 -1.55 117.38 127.29 3fg6 n GLN 696 Ca -0.03 0.98 0.00 0.00 0.07 0.00 0.00 57.00 58.02 3fg6 n GLN 696 Cb 0.52 -2.81 0.00 0.00 2.41 0.00 0.00 30.24 30.36 3fg6 n GLN 696 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fg6 n GLY 697 N 3.30 2.52 1.52 1.69 0.00 -1.26 -4.84 105.19 108.12 3fg6 n GLY 697 Ca 0.13 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 1.26 -2.26 1.61 8.25 -0.59 -4.95 115.22 118.54 3fg6 n HIS 698 Ca 0.00 -1.09 -0.42 0.00 -0.26 0.00 0.00 57.72 55.95 3fg6 n HIS 698 Cb 0.00 -0.55 -0.03 0.00 1.12 0.00 0.00 29.99 30.53 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 -1.36 4.34 0.61 -0.41 8.01 -1.23 -4.60 118.70 124.06 3fg6 s GLU 699 Ca 0.23 1.95 -0.16 0.00 0.01 0.00 0.00 54.97 57.01 3fg6 s GLU 699 Cb 0.20 -3.38 -0.02 0.00 -4.31 0.00 0.00 34.13 26.61 3fg6 s GLU 699 CO 0.04 -0.44 1.08 -1.25 0.01 0.00 0.00 175.26 174.71 3fg6 s PRO 700 N 1.53 3.13 0.46 0.39 0.04 -1.26 -4.84 135.00 134.46 3fg6 s PRO 700 Ca 0.63 1.29 0.17 0.00 0.04 0.00 0.00 61.00 63.13 3fg6 s PRO 700 Cb -0.33 -2.00 1.14 0.00 0.04 0.00 0.00 34.50 33.35 3fg6 s PRO 700 CO 0.29 -0.97 1.99 -1.35 0.04 0.00 0.00 177.00 176.99 3fg6 h PRO 701 N 0.33 0.27 0.00 0.56 0.11 -1.94 -1.06 132.00 130.27 3fg6 h PRO 701 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 3fg6 h PRO 701 Cb 1.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fg6 h PRO 701 CO 0.56 0.18 -0.14 0.00 -0.21 0.00 0.00 178.00 178.39 3fg6 h THR 702 N 0.28 0.75 0.06 -1.15 1.03 -1.86 -1.52 112.91 110.50 3fg6 h THR 702 Ca 0.26 -0.56 -0.28 0.00 -0.01 0.00 0.00 66.41 65.82 3fg6 h THR 702 Cb 0.64 1.33 -0.02 0.00 -1.07 0.00 0.00 68.15 69.03 3fg6 h THR 702 CO -0.06 0.14 -1.50 0.15 -0.01 0.00 0.00 175.52 174.25 3fg6 h PHE 703 N 0.00 0.24 -0.26 0.00 3.57 -1.61 -3.39 116.94 115.49 3fg6 h PHE 703 Ca -0.00 -0.17 0.08 0.00 3.53 0.00 0.00 57.97 61.40 3fg6 h PHE 703 Cb 0.32 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3fg6 h PHE 703 CO 0.00 1.59 0.19 1.15 -2.23 0.00 0.00 178.31 179.01 3fg6 h THR 704 N -0.53 0.82 0.00 4.41 2.02 -1.08 -2.93 112.91 115.62 3fg6 h THR 704 Ca -0.36 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3fg6 h THR 704 Cb 1.62 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3fg6 h THR 704 CO -0.06 0.00 -0.07 1.23 0.37 0.00 0.00 175.52 176.99 3fg6 h GLY 705 N 0.00 0.00 1.13 2.16 0.00 -1.47 -2.09 103.07 102.79 3fg6 h GLY 705 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 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 -3.82 0.00 -4.41 5.60 7.02 -1.11 -4.73 117.44 115.99 3fg6 n TRP 706 Ca -0.02 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.14 3fg6 n TRP 706 Cb 0.16 -0.06 -0.10 0.00 -2.42 0.00 0.00 31.31 28.89 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 -2.13 2.88 -0.27 -5.99 0.40 -0.79 -4.96 117.98 107.13 3fg6 s PHE 707 Ca 0.39 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.44 3fg6 s PHE 707 Cb 0.19 -1.59 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 3fg6 s PHE 707 CO 0.35 0.39 0.79 -1.17 0.70 0.00 0.00 175.22 176.28 3fg6 s LEU 708 N -1.56 4.08 0.00 -0.37 2.96 -1.26 -4.66 118.68 117.87 3fg6 s LEU 708 Ca 0.18 0.85 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3fg6 s LEU 708 Cb -0.11 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.47 3fg6 s LEU 708 CO 0.09 -0.54 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 3fg6 n GLY 709 N 3.98 1.28 1.80 7.98 0.00 -1.26 -4.84 105.19 114.13 3fg6 n GLY 709 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 3fg6 n GLY 709 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3fg6 n TRP 710 N 0.00 -0.87 -2.23 1.61 -0.00 -1.26 -4.92 117.44 109.76 3fg6 n TRP 710 Ca 0.00 0.37 -0.36 0.00 -0.00 0.00 0.00 57.50 57.51 3fg6 n TRP 710 Cb 0.00 -2.10 -0.04 0.00 -0.00 0.00 0.00 31.31 29.18 3fg6 n TRP 710 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 3fg6 s ASP 711 N -0.88 5.60 0.20 5.87 2.15 -1.26 -4.80 116.67 123.55 3fg6 s ASP 711 Ca 0.03 -0.41 0.14 0.00 0.43 0.00 0.00 52.55 52.74 3fg6 s ASP 711 Cb -0.01 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 40.81 3fg6 s ASP 711 CO 0.18 -2.24 1.44 -0.24 -0.17 0.00 0.00 175.17 174.14 3fg6 n SER 712 N 11.83 0.36 -0.79 -0.34 2.88 -1.26 -1.62 113.62 124.69 3fg6 n SER 712 Ca 0.25 0.66 0.05 0.00 -1.33 0.00 0.00 58.87 58.49 3fg6 n SER 712 Cb 0.50 -0.71 0.16 0.00 -0.75 0.00 0.00 64.21 63.41 3fg6 n SER 712 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fg6 n SER 713 N -1.97 2.24 -0.02 -3.46 7.64 -1.26 -3.78 113.62 113.01 3fg6 n SER 713 Ca -0.00 -2.14 -0.16 0.00 1.01 0.00 0.00 58.87 57.58 3fg6 n SER 713 Cb 0.05 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.81 3fg6 n SER 713 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3fg6 h LYS 714 N 1.93 0.42 0.00 1.43 1.79 -1.71 -3.54 116.57 116.87 3fg6 h LYS 714 Ca 0.00 -0.37 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3fg6 h LYS 714 Cb 0.68 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.42 3fg6 h LYS 714 CO 0.07 1.01 0.00 -2.67 -1.08 0.00 0.00 179.45 176.79