#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 4.07 -0.08 1.61 2.20 -0.31 -4.80 119.74 122.43 3fg6 s LYS 397 Ca 0.00 2.07 0.04 0.00 -0.36 0.00 0.00 55.97 57.72 3fg6 s LYS 397 Cb 0.00 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.52 3fg6 s LYS 397 CO 0.00 -0.38 -0.20 0.08 -0.36 0.00 0.00 175.35 174.49 3fg6 s VAL 398 N -1.27 1.74 -0.04 4.02 1.01 -1.26 -1.70 120.40 122.89 3fg6 s VAL 398 Ca 0.55 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3fg6 s VAL 398 Cb -0.36 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.51 3fg6 s VAL 398 CO 0.47 0.49 -0.12 -1.61 0.00 0.00 0.00 175.10 174.32 3fg6 s GLU 399 N 0.37 1.36 -0.05 2.72 2.02 -0.45 -5.00 118.70 119.67 3fg6 s GLU 399 Ca -0.15 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 54.46 3fg6 s GLU 399 Cb -0.16 -1.21 -0.00 0.00 0.10 0.00 0.00 34.13 32.85 3fg6 s GLU 399 CO 0.06 0.15 -0.19 0.42 0.02 0.00 0.00 175.26 175.72 3fg6 s ILE 400 N 0.22 1.59 -0.03 -1.63 1.01 -1.26 -0.31 121.20 120.79 3fg6 s ILE 400 Ca -0.05 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.84 3fg6 s ILE 400 Cb -0.11 -1.36 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 3fg6 s ILE 400 CO 0.02 0.45 -0.16 0.26 0.00 0.00 0.00 174.94 175.50 3fg6 s TRP 401 N 0.00 1.57 0.00 3.97 0.51 -0.39 -1.81 118.94 122.80 3fg6 s TRP 401 Ca -0.04 -0.37 -0.21 0.00 -2.12 0.00 0.00 56.10 53.35 3fg6 s TRP 401 Cb -0.12 -1.04 -0.05 0.00 -0.81 0.00 0.00 33.47 31.45 3fg6 s TRP 401 CO 0.03 -0.09 0.63 0.50 -0.51 0.00 0.00 176.95 177.50 3fg6 s ARG 402 N -0.16 4.35 -0.16 4.98 3.52 -0.16 -0.15 118.95 131.18 3fg6 s ARG 402 Ca 0.01 0.79 -0.29 0.00 -0.13 0.00 0.00 55.73 56.11 3fg6 s ARG 402 Cb -0.09 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 3fg6 s ARG 402 CO 0.01 0.34 1.12 0.08 -0.81 0.00 0.00 175.30 176.05 3fg6 s VAL 403 N -0.14 4.52 -0.13 7.11 1.01 -0.42 -1.36 120.40 130.99 3fg6 s VAL 403 Ca 0.32 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 64.09 3fg6 s VAL 403 Cb -0.19 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.08 3fg6 s VAL 403 CO 0.18 -0.11 0.19 -0.70 0.00 0.00 0.00 175.10 174.66 3fg6 s GLU 404 N 2.92 0.09 4.22 2.72 2.12 -0.58 -4.76 118.70 125.44 3fg6 s GLU 404 Ca 0.50 0.46 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3fg6 s GLU 404 Cb -0.19 -0.57 0.00 0.00 0.26 0.00 0.00 34.13 33.63 3fg6 s GLU 404 CO 0.13 -0.42 0.00 0.09 -0.54 0.00 0.00 175.26 174.52 3fg6 n ASN 405 N 5.33 0.00 -2.75 -1.70 5.03 -1.26 -2.89 115.26 117.02 3fg6 n ASN 405 Ca -0.05 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.27 3fg6 n ASN 405 Cb 0.50 0.00 0.01 0.00 -1.02 0.00 0.00 39.78 39.27 3fg6 n ASN 405 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3fg6 n ASN 406 N 8.02 1.77 -2.18 6.41 3.02 -1.26 -5.05 115.26 125.98 3fg6 n ASN 406 Ca 0.00 -2.90 -0.02 0.00 -0.03 0.00 0.00 54.58 51.63 3fg6 n ASN 406 Cb 0.00 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.64 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 -0.05 0.95 3.50 7.41 0.00 -1.14 -5.06 105.19 110.80 3fg6 n GLY 407 Ca 0.16 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.03 3.34 -0.15 1.61 0.52 -1.26 -1.53 118.95 119.44 3fg6 s ARG 408 Ca 0.12 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3fg6 s ARG 408 Cb -0.01 -2.76 -0.00 0.00 0.52 0.00 0.00 34.95 32.69 3fg6 s ARG 408 CO 0.03 0.37 -0.15 0.42 0.02 0.00 0.00 175.30 175.99 3fg6 s ILE 409 N -0.00 2.74 0.07 1.52 1.01 -0.46 -4.96 121.20 121.11 3fg6 s ILE 409 Ca -0.00 -0.75 -0.34 0.00 0.00 0.00 0.00 60.65 59.56 3fg6 s ILE 409 Cb -0.14 -2.16 -0.13 0.00 0.01 0.00 0.00 42.46 40.05 3fg6 s ILE 409 CO 0.03 0.51 1.72 0.00 0.00 0.00 0.00 174.94 177.20 3fg6 n GLN 410 N 4.02 2.27 -3.05 2.79 6.02 -1.26 -0.98 117.38 127.18 3fg6 n GLN 410 Ca -0.19 0.82 -0.37 0.00 -0.01 0.00 0.00 57.00 57.25 3fg6 n GLN 410 Cb 0.52 -2.64 -0.06 0.00 1.02 0.00 0.00 30.24 29.08 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 2.24 4.50 0.10 5.09 0.11 -0.75 -4.84 120.40 126.84 3fg6 s VAL 411 Ca 0.84 1.42 -0.36 0.00 -2.93 0.00 0.00 61.98 60.95 3fg6 s VAL 411 Cb -0.65 -3.93 -0.15 0.00 -1.53 0.00 0.00 36.38 30.11 3fg6 s VAL 411 CO 0.42 0.28 1.47 -0.67 -3.33 0.00 0.00 175.10 173.27 3fg6 n ASP 412 N 0.92 2.33 -0.28 3.54 -0.08 -1.26 -4.86 116.55 116.86 3fg6 n ASP 412 Ca -0.03 1.10 0.03 0.00 -1.51 0.00 0.00 54.79 54.38 3fg6 n ASP 412 Cb 0.50 -1.29 0.17 0.00 2.34 0.00 0.00 41.12 42.84 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 5.38 0.66 0.00 -0.67 5.75 -1.98 0.55 115.11 124.81 3fg6 h GLN 413 Ca -0.47 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 3fg6 h GLN 413 Cb 1.30 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 3fg6 h GLN 413 CO 0.84 0.44 -0.14 -0.91 -2.65 0.00 0.00 178.83 176.40 3fg6 h ASN 414 N 0.68 0.00 -0.33 -0.69 4.21 -2.05 -3.11 115.58 114.30 3fg6 h ASN 414 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 3fg6 h ASN 414 Cb 0.43 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3fg6 h ASN 414 CO -0.28 0.14 0.00 -1.20 -1.29 0.00 0.00 177.43 174.80 3fg6 n SER 415 N -3.89 2.60 -4.65 5.81 7.64 0.18 -4.90 113.62 116.41 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 0.23 -0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 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 1.79 0.00 1.43 4.12 -1.18 -1.03 117.35 120.80 3fg6 s TYR 416 Ca 0.26 0.12 0.00 0.00 0.02 0.00 0.00 57.07 57.47 3fg6 s TYR 416 Cb 0.16 -4.00 0.00 0.00 -1.52 0.00 0.00 41.96 36.60 3fg6 s TYR 416 CO 0.12 -4.11 0.00 0.41 0.02 0.00 0.00 175.55 171.99 3fg6 n GLY 417 N 4.40 2.40 3.54 0.71 0.00 -1.26 -5.05 105.19 109.93 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 -0.65 3.45 0.08 1.61 2.02 -0.20 -0.99 118.70 124.02 3fg6 s GLU 418 Ca 0.00 -0.23 0.09 0.00 0.02 0.00 0.00 54.97 54.85 3fg6 s GLU 418 Cb 0.00 -3.88 -0.03 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 2.67 2.13 -0.02 1.61 0.40 -0.66 -4.97 117.98 119.14 3fg6 s PHE 419 Ca 0.22 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.95 3fg6 s PHE 419 Cb -0.15 -1.22 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 3fg6 s PHE 419 CO 0.16 0.20 0.57 0.71 0.70 0.00 0.00 175.22 177.56 3fg6 s TYR 420 N -0.94 3.66 0.51 0.36 2.02 -1.26 -1.00 117.35 120.71 3fg6 s TYR 420 Ca 0.11 1.14 0.16 0.00 -0.37 0.00 0.00 57.07 58.12 3fg6 s TYR 420 Cb -0.10 -2.58 1.26 0.00 -0.40 0.00 0.00 41.96 40.14 3fg6 s TYR 420 CO 0.04 0.35 2.13 0.78 -1.57 0.00 0.00 175.55 177.28 3fg6 h GLY 421 N 5.71 0.00 -2.96 0.71 0.00 -1.87 -2.70 103.07 101.96 3fg6 h GLY 421 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3fg6 h GLY 421 CO 0.70 0.00 0.03 0.61 0.00 0.00 0.00 176.54 177.87 3fg6 n GLY 422 N -1.45 2.69 3.29 4.60 0.00 -1.26 -2.14 105.19 110.92 3fg6 n GLY 422 Ca -0.03 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.59 1.87 0.05 1.61 1.01 -1.02 -4.29 116.67 115.31 3fg6 s ASP 423 Ca 0.41 -1.10 0.06 0.00 0.71 0.00 0.00 52.55 52.63 3fg6 s ASP 423 Cb 0.32 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 44.20 3fg6 s ASP 423 CO 0.12 -0.40 -0.13 0.00 0.21 0.00 0.00 175.17 174.97 3fg6 s TYR 425 N -1.01 1.37 -0.31 0.00 1.51 0.11 -1.31 117.35 117.71 3fg6 s TYR 425 Ca 0.17 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 3fg6 s TYR 425 Cb -0.11 -0.79 0.04 0.00 -0.11 0.00 0.00 41.96 40.98 3fg6 s TYR 425 CO 0.08 0.07 0.05 0.42 -1.11 0.00 0.00 175.55 175.06 3fg6 s ILE 426 N -0.98 3.49 -0.26 2.71 1.01 0.79 -0.32 121.20 127.65 3fg6 s ILE 426 Ca 0.02 -1.11 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 3fg6 s ILE 426 Cb -0.09 -2.93 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3fg6 s ILE 426 CO 0.02 -0.07 0.12 -0.63 0.00 0.00 0.00 174.94 174.38 3fg6 s ILE 427 N 1.37 4.74 -0.24 2.92 1.01 0.57 -1.26 121.20 130.31 3fg6 s ILE 427 Ca -0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 3fg6 s ILE 427 Cb -0.19 -3.23 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3fg6 s ILE 427 CO 0.01 0.31 0.04 -0.22 0.00 0.00 0.00 174.94 175.07 3fg6 s LEU 428 N 1.64 3.29 -0.23 2.97 2.96 0.58 -0.48 118.68 129.40 3fg6 s LEU 428 Ca 0.07 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3fg6 s LEU 428 Cb -0.15 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 3fg6 s LEU 428 CO 0.07 -0.03 0.00 -0.47 -1.32 0.00 0.00 176.35 174.60 3fg6 s TYR 429 N 1.56 3.01 -0.18 5.38 5.04 0.45 -1.35 117.35 131.26 3fg6 s TYR 429 Ca 0.06 -0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 54.00 3fg6 s TYR 429 Cb -0.15 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.02 3fg6 s TYR 429 CO 0.02 -0.43 -0.14 0.95 -1.34 0.00 0.00 175.55 174.61 3fg6 s THR 430 N 1.44 2.66 0.06 4.34 -4.23 -0.69 -0.84 115.64 118.37 3fg6 s THR 430 Ca 0.05 -0.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 3fg6 s THR 430 Cb -0.15 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 3fg6 s THR 430 CO -0.00 0.50 -0.12 -0.72 -0.54 0.00 0.00 174.62 173.74 3fg6 s TYR 431 N 1.11 2.70 0.65 3.99 -0.85 -1.12 -1.16 117.35 122.68 3fg6 s TYR 431 Ca 0.00 -0.17 0.15 0.00 -0.52 0.00 0.00 57.07 56.54 3fg6 s TYR 431 Cb -0.14 -1.48 0.76 0.00 0.38 0.00 0.00 41.96 41.47 3fg6 s TYR 431 CO -0.05 0.35 1.41 -1.35 -1.52 0.00 0.00 175.55 174.40 3fg6 h PRO 432 N 4.17 0.00 -2.10 -3.49 0.11 -2.02 -2.69 132.00 125.98 3fg6 h PRO 432 Ca -0.48 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.08 3fg6 h PRO 432 Cb 1.16 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.87 3fg6 h PRO 432 CO 0.51 0.00 -0.94 2.89 -0.21 0.00 0.00 178.00 180.25 3fg6 n ARG 433 N -2.79 1.69 0.00 1.05 0.00 -1.26 -5.08 116.66 110.27 3fg6 n ARG 433 Ca 0.02 -3.90 0.00 0.00 -0.00 0.00 0.00 57.85 53.97 3fg6 n ARG 433 Cb 0.81 -1.79 0.00 0.00 -0.00 0.00 0.00 32.46 31.48 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 0.58 3.09 2.97 2.89 0.00 -1.02 -5.15 105.19 108.55 3fg6 n GLY 434 Ca 0.26 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.09 0.24 -0.08 1.61 -1.52 -1.26 -2.79 119.66 113.77 3fg6 s GLN 435 Ca 0.00 -0.40 0.02 0.00 -1.95 0.00 0.00 55.36 53.02 3fg6 s GLN 435 Cb 0.00 0.09 0.02 0.00 -0.22 0.00 0.00 33.01 32.90 3fg6 s GLN 435 CO 0.00 -0.04 -0.12 0.42 -0.25 0.00 0.00 175.29 175.30 3fg6 s ILE 436 N -1.02 1.15 -0.33 1.08 1.01 -0.02 -1.61 121.20 121.47 3fg6 s ILE 436 Ca -0.11 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.01 3fg6 s ILE 436 Cb -0.07 -1.08 0.03 0.00 0.01 0.00 0.00 42.46 41.35 3fg6 s ILE 436 CO -0.00 0.37 0.10 -0.63 0.00 0.00 0.00 174.94 174.78 3fg6 s ILE 437 N 0.95 3.89 -0.26 2.92 1.01 0.66 -0.41 121.20 129.96 3fg6 s ILE 437 Ca -0.09 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 3fg6 s ILE 437 Cb -0.15 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 3fg6 s ILE 437 CO 0.00 -0.11 0.49 -0.31 0.00 0.00 0.00 174.94 175.01 3fg6 s TYR 438 N 1.44 3.27 -0.58 3.97 2.02 0.36 -0.68 117.35 127.16 3fg6 s TYR 438 Ca -0.00 0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 57.13 3fg6 s TYR 438 Cb -0.19 -2.69 0.12 0.00 -0.40 0.00 0.00 41.96 38.81 3fg6 s TYR 438 CO 0.03 -0.25 0.60 0.99 -1.57 0.00 0.00 175.55 175.34 3fg6 s THR 439 N 2.20 5.08 -0.30 -0.71 2.01 -0.18 -0.31 115.64 123.43 3fg6 s THR 439 Ca 0.20 -1.36 -0.25 0.00 0.31 0.00 0.00 61.69 60.59 3fg6 s THR 439 Cb -0.16 -4.41 0.00 0.00 0.01 0.00 0.00 72.50 67.95 3fg6 s THR 439 CO 0.09 -0.98 0.86 0.86 -0.69 0.00 0.00 174.62 174.76 3fg6 s TRP 440 N 1.95 3.21 -0.22 4.92 -0.00 0.56 -0.46 118.94 128.91 3fg6 s TRP 440 Ca 0.07 0.97 -0.04 0.00 -0.00 0.00 0.00 56.10 57.10 3fg6 s TRP 440 Cb -0.27 -3.29 -0.01 0.00 -0.00 0.00 0.00 33.47 29.90 3fg6 s TRP 440 CO 0.03 -0.58 -0.03 -0.65 -0.00 0.00 0.00 176.95 175.72 3fg6 s GLN 441 N 3.09 3.41 0.35 5.86 -0.21 0.12 0.08 119.66 132.35 3fg6 s GLN 441 Ca 0.36 -0.61 -0.28 0.00 0.02 0.00 0.00 55.36 54.85 3fg6 s GLN 441 Cb -0.14 -3.03 -0.09 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 1.47 2.97 0.60 3.09 0.00 -0.47 -1.23 107.32 113.74 3fg6 s GLY 442 Ca 0.06 1.08 0.30 0.00 0.00 0.00 0.00 44.72 46.16 3fg6 s GLY 442 CO -0.02 1.68 2.12 0.00 0.00 0.00 0.00 173.10 176.88 3fg6 h ALA 443 N 3.21 1.68 -0.31 3.20 0.00 -1.88 -0.41 119.26 124.75 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 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3fg6 h ALA 443 CO 0.65 -0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.74 3fg6 n ASN 444 N -3.68 3.18 -4.75 0.00 3.02 -0.91 -4.96 115.26 107.16 3fg6 n ASN 444 Ca 0.01 -1.93 -0.41 0.00 -0.03 0.00 0.00 54.58 52.22 3fg6 n ASN 444 Cb 0.29 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.40 3.64 0.59 5.41 0.00 -0.16 -4.63 121.76 125.20 3fg6 s ALA 445 Ca 0.33 1.37 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 3fg6 s ALA 445 Cb 0.20 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3fg6 s ALA 445 CO 0.28 -0.78 1.12 0.95 0.00 0.00 0.00 175.76 177.32 3fg6 s THR 446 N -0.09 3.21 0.62 0.00 -4.23 -1.26 -4.87 115.64 109.01 3fg6 s THR 446 Ca 0.59 0.66 0.34 0.00 -1.18 0.00 0.00 61.69 62.10 3fg6 s THR 446 Cb -0.43 -3.21 0.38 0.00 1.34 0.00 0.00 72.50 70.58 3fg6 s THR 446 CO 0.45 -0.25 2.25 0.03 -0.54 0.00 0.00 174.62 176.56 3fg6 h ARG 447 N 0.68 0.00 -0.53 3.99 3.08 -1.99 0.25 114.38 119.86 3fg6 h ARG 447 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 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 0.27 0.22 -1.07 0.00 0.00 179.97 179.95 3fg6 h ASP 448 N 0.00 0.68 -0.17 7.04 3.58 -2.00 -2.36 116.42 123.19 3fg6 h ASP 448 Ca 0.01 -0.11 -0.14 0.00 0.42 0.00 0.00 57.03 57.21 3fg6 h ASP 448 Cb 0.11 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 3fg6 h ASP 448 CO -0.00 0.60 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.24 3fg6 h GLU 449 N 0.71 0.70 -0.60 0.28 5.08 -1.33 -2.53 114.58 116.89 3fg6 h GLU 449 Ca 0.18 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3fg6 h GLU 449 Cb 0.09 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3fg6 h GLU 449 CO -0.03 0.97 0.37 -0.07 -1.00 0.00 0.00 179.01 179.25 3fg6 h LEU 450 N 0.58 0.70 -0.05 1.33 3.38 -1.27 0.16 115.31 120.14 3fg6 h LEU 450 Ca 0.05 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 3fg6 h LEU 450 Cb 0.92 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.51 3fg6 h LEU 450 CO 0.08 0.53 -0.87 0.74 0.09 0.00 0.00 178.44 179.01 3fg6 h THR 451 N 0.81 1.30 -0.55 0.22 2.02 -1.37 -2.82 112.91 112.53 3fg6 h THR 451 Ca 0.22 -2.12 -0.07 0.00 0.77 0.00 0.00 66.41 65.21 3fg6 h THR 451 Cb -0.06 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3fg6 h THR 451 CO -0.04 0.65 0.08 0.74 0.37 0.00 0.00 175.52 177.32 3fg6 h THR 452 N 0.34 1.26 -0.51 3.16 2.02 -1.08 -0.59 112.91 117.51 3fg6 h THR 452 Ca -0.10 -0.98 0.01 0.00 0.77 0.00 0.00 66.41 66.11 3fg6 h THR 452 Cb 1.53 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3fg6 h THR 452 CO 0.17 0.36 0.32 0.77 0.37 0.00 0.00 175.52 177.51 3fg6 h SER 453 N 0.80 0.54 -0.65 4.18 4.64 -0.76 0.68 113.55 122.98 3fg6 h SER 453 Ca 0.16 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.39 3fg6 h SER 453 Cb 0.43 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 3fg6 h SER 453 CO 0.01 0.39 0.07 0.00 -0.87 0.00 0.00 176.83 176.43 3fg6 h ALA 454 N 1.20 0.87 -0.67 5.18 0.00 -1.33 -1.91 119.26 122.60 3fg6 h ALA 454 Ca 0.19 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3fg6 h ALA 454 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3fg6 h ALA 454 CO -0.06 0.67 0.30 0.35 0.00 0.00 0.00 179.25 180.50 3fg6 h PHE 455 N 1.02 0.97 0.00 0.00 3.57 -0.67 -2.77 116.94 119.06 3fg6 h PHE 455 Ca 0.19 -0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.46 3fg6 h PHE 455 Cb 0.49 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 3fg6 h PHE 455 CO 0.04 0.73 -0.88 -0.07 -2.23 0.00 0.00 178.31 175.89 3fg6 h LEU 456 N 0.96 0.00 -0.71 0.59 3.38 -0.56 -1.68 115.31 117.30 3fg6 h LEU 456 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.06 3fg6 h LEU 456 Cb 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3fg6 h LEU 456 CO -0.03 0.88 -0.61 0.71 0.09 0.00 0.00 178.44 179.48 3fg6 h THR 457 N 0.00 1.42 -0.19 0.22 1.35 -1.32 0.11 112.91 114.50 3fg6 h THR 457 Ca -0.01 -2.06 -0.02 0.00 -0.55 0.00 0.00 66.41 63.78 3fg6 h THR 457 Cb 1.66 2.08 -0.01 0.00 -1.73 0.00 0.00 68.15 70.15 3fg6 h THR 457 CO 0.11 0.60 0.04 0.58 -0.25 0.00 0.00 175.52 176.60 3fg6 h VAL 458 N 0.09 1.21 -0.49 6.82 2.07 -1.40 0.13 116.25 124.68 3fg6 h VAL 458 Ca -0.01 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 66.90 3fg6 h VAL 458 Cb 1.10 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3fg6 h VAL 458 CO 0.09 0.21 0.20 1.56 0.02 0.00 0.00 177.57 179.64 3fg6 h GLN 459 N 0.11 0.38 -0.19 1.57 7.50 -1.12 -0.68 115.11 122.68 3fg6 h GLN 459 Ca 0.06 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.17 3fg6 h GLN 459 Cb 0.28 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 3fg6 h GLN 459 CO 0.00 0.25 0.07 1.25 -1.50 0.00 0.00 178.83 178.91 3fg6 h LEU 460 N 0.39 0.27 -0.73 1.46 5.85 -0.68 -2.56 115.31 119.30 3fg6 h LEU 460 Ca 0.23 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3fg6 h LEU 460 Cb 0.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3fg6 h LEU 460 CO -0.21 0.36 0.39 -0.78 -0.34 0.00 0.00 178.44 177.86 3fg6 h ASP 461 N 0.15 0.92 0.08 1.25 -0.00 -0.49 -2.50 116.42 115.84 3fg6 h ASP 461 Ca 0.06 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 56.93 3fg6 h ASP 461 Cb 0.18 -0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 3fg6 h ASP 461 CO -0.00 0.77 -0.19 0.03 -0.00 0.00 0.00 179.24 179.84 3fg6 h ARG 462 N 1.01 0.22 0.00 0.28 3.08 -1.09 0.16 114.38 118.04 3fg6 h ARG 462 Ca 0.25 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3fg6 h ARG 462 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3fg6 h ARG 462 CO -0.04 0.42 0.00 -1.13 -1.07 0.00 0.00 179.97 178.15 3fg6 n SER 463 N -4.22 0.68 -0.55 7.04 3.41 -0.97 -2.84 113.62 116.17 3fg6 n SER 463 Ca -0.01 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3fg6 n SER 463 Cb 0.31 -0.75 0.13 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 -2.15 2.01 0.00 1.04 4.77 -0.85 -4.95 117.00 116.86 3fg6 n LEU 464 Ca 0.05 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3fg6 n LEU 464 Cb 0.39 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3fg6 n LEU 464 CO 0.28 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 3fg6 n GLY 465 N 1.37 1.20 1.41 -0.72 0.00 -1.03 -4.51 105.19 102.90 3fg6 n GLY 465 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.65 0.62 0.07 -0.02 0.00 0.52 -4.94 105.19 100.79 3fg6 n GLY 466 Ca 0.00 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.70 0.28 -2.38 1.61 -0.06 -1.26 -4.93 117.38 107.94 3fg6 n GLN 467 Ca 0.00 0.12 -0.40 0.00 -2.00 0.00 0.00 57.00 54.72 3fg6 n GLN 467 Cb 0.00 -1.71 -0.04 0.00 -4.06 0.00 0.00 30.24 24.43 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 -3.15 3.39 0.18 1.69 0.00 -1.26 -4.68 121.76 117.93 3fg6 s ALA 468 Ca 0.07 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 3fg6 s ALA 468 Cb 0.13 -3.36 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 3fg6 s ALA 468 CO 0.69 -0.31 0.99 0.08 0.00 0.00 0.00 175.76 177.21 3fg6 s VAL 469 N -1.21 4.16 -0.15 0.00 1.01 -0.63 -4.93 120.40 118.66 3fg6 s VAL 469 Ca 0.47 1.95 0.00 0.00 0.00 0.00 0.00 61.98 64.40 3fg6 s VAL 469 Cb -0.33 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 3fg6 s VAL 469 CO 0.43 0.37 -0.15 -1.10 0.00 0.00 0.00 175.10 174.66 3fg6 s GLN 470 N -0.57 3.25 -0.15 2.72 -0.21 -1.26 -0.25 119.66 123.19 3fg6 s GLN 470 Ca 0.45 -0.74 -0.00 0.00 0.02 0.00 0.00 55.36 55.10 3fg6 s GLN 470 Cb -0.26 -2.64 0.03 0.00 1.00 0.00 0.00 33.01 31.15 3fg6 s GLN 470 CO 0.32 0.05 -0.09 0.42 -2.12 0.00 0.00 175.29 173.87 3fg6 s ILE 471 N 0.75 1.28 -0.45 1.08 1.01 0.15 -4.98 121.20 120.04 3fg6 s ILE 471 Ca -0.06 -0.61 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 3fg6 s ILE 471 Cb -0.15 -1.34 0.03 0.00 0.01 0.00 0.00 42.46 41.01 3fg6 s ILE 471 CO 0.01 0.27 1.01 -0.60 0.00 0.00 0.00 174.94 175.63 3fg6 s ARG 472 N 1.58 3.66 -0.31 2.79 3.52 -1.26 -1.01 118.95 127.92 3fg6 s ARG 472 Ca 0.02 0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.94 3fg6 s ARG 472 Cb -0.14 -3.90 0.01 0.00 -1.56 0.00 0.00 34.95 29.36 3fg6 s ARG 472 CO -0.09 -1.24 0.11 0.08 -0.81 0.00 0.00 175.30 173.36 3fg6 s VAL 473 N 3.97 4.14 0.49 7.11 1.01 0.40 -4.95 120.40 132.57 3fg6 s VAL 473 Ca 0.41 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3fg6 s VAL 473 Cb -0.09 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 3fg6 s VAL 473 CO 0.27 0.02 1.03 -0.44 0.00 0.00 0.00 175.10 175.99 3fg6 s SER 474 N 1.52 6.33 0.17 3.32 0.01 -1.26 0.11 113.70 123.90 3fg6 s SER 474 Ca 0.03 1.89 -0.34 0.00 1.31 0.00 0.00 55.95 58.84 3fg6 s SER 474 Cb -0.18 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.36 3fg6 s SER 474 CO 0.04 -0.79 1.51 1.67 0.41 0.00 0.00 173.24 176.07 3fg6 n GLN 475 N -1.07 2.00 -1.19 12.44 7.27 -0.37 -1.16 117.38 135.30 3fg6 n GLN 475 Ca 0.09 0.72 -0.06 0.00 0.07 0.00 0.00 57.00 57.81 3fg6 n GLN 475 Cb 0.53 -2.44 -0.03 0.00 2.41 0.00 0.00 30.24 30.71 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 3.01 0.86 0.84 1.69 0.00 -1.26 -4.87 105.19 105.46 3fg6 n GLY 476 Ca 0.16 -0.48 0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.40 0.59 -2.16 1.61 4.76 -0.31 -4.50 118.16 115.75 3fg6 n LYS 477 Ca -0.06 -2.20 -0.42 0.00 -2.87 0.00 0.00 58.31 52.76 3fg6 n LYS 477 Cb 0.26 -0.74 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 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 -1.24 4.29 0.87 1.97 8.01 -1.25 -4.57 118.70 126.77 3fg6 s GLU 478 Ca 0.27 2.07 -0.11 0.00 0.01 0.00 0.00 54.97 57.21 3fg6 s GLU 478 Cb 0.28 -3.41 0.11 0.00 -4.31 0.00 0.00 34.13 26.81 3fg6 s GLU 478 CO -0.08 -0.53 1.09 -1.25 0.01 0.00 0.00 175.26 174.51 3fg6 s PRO 479 N 1.76 1.49 0.20 0.39 0.04 -1.26 -4.81 135.00 132.81 3fg6 s PRO 479 Ca 0.66 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 3fg6 s PRO 479 Cb -0.35 -1.82 0.25 0.00 0.04 0.00 0.00 34.50 32.62 3fg6 s PRO 479 CO 0.29 -2.14 1.70 -0.39 0.04 0.00 0.00 177.00 176.50 3fg6 h VAL 480 N -1.48 0.64 -0.71 -0.36 -1.51 -2.00 -2.75 116.25 108.07 3fg6 h VAL 480 Ca -0.47 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 3fg6 h VAL 480 Cb 1.26 0.41 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 3fg6 h VAL 480 CO 0.52 0.04 0.45 -0.74 -1.23 0.00 0.00 177.57 176.60 3fg6 h HIS 481 N 0.21 0.92 0.93 5.19 -0.00 -2.00 -2.03 115.15 118.38 3fg6 h HIS 481 Ca 0.29 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.62 3fg6 h HIS 481 Cb 0.43 -0.31 0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3fg6 h HIS 481 CO -0.27 0.60 -0.45 1.25 -0.00 0.00 0.00 177.93 179.07 3fg6 h LEU 482 N 0.97 -1.06 -0.91 0.26 5.85 -1.87 -3.05 115.31 115.50 3fg6 h LEU 482 Ca 0.26 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.23 3fg6 h LEU 482 Cb -0.06 0.27 -0.17 0.00 0.37 0.00 0.00 40.66 41.07 3fg6 h LEU 482 CO -0.05 -0.73 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.19 3fg6 h LEU 483 N -1.32 -0.57 -2.04 2.25 3.38 -1.29 0.27 115.31 115.98 3fg6 h LEU 483 Ca -0.13 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fg6 h LEU 483 Cb 0.96 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 3fg6 h LEU 483 CO 0.21 -0.29 0.02 0.77 0.09 0.00 0.00 178.44 179.24 3fg6 h SER 484 N 0.03 0.00 -0.71 -0.43 4.64 -1.31 -2.66 113.55 113.11 3fg6 h SER 484 Ca 0.50 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.94 3fg6 h SER 484 Cb 0.91 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.87 3fg6 h SER 484 CO -0.86 0.00 -0.33 -0.07 -0.87 0.00 0.00 176.83 174.69 3fg6 h LEU 485 N 0.00 -1.18 -9.27 5.97 4.07 -0.35 -3.33 115.31 111.21 3fg6 h LEU 485 Ca 0.01 0.25 -0.54 0.00 0.08 0.00 0.00 57.88 57.67 3fg6 h LEU 485 Cb 0.04 0.61 -0.00 0.00 1.08 0.00 0.00 40.66 42.39 3fg6 h LEU 485 CO -0.00 -0.30 1.13 -0.36 -1.08 0.00 0.00 178.44 177.84 3fg6 s PHE 486 N -6.01 1.79 -0.74 1.13 0.40 -1.00 -4.84 117.98 108.70 3fg6 s PHE 486 Ca -0.14 0.04 -0.23 0.00 -0.60 0.00 0.00 56.93 56.00 3fg6 s PHE 486 Cb 0.18 -4.00 -0.17 0.00 0.51 0.00 0.00 43.02 39.53 3fg6 s PHE 486 CO 0.70 -4.27 1.91 1.63 0.70 0.00 0.00 175.22 175.89 3fg6 n LYS 487 N 7.28 1.43 -3.72 0.44 4.76 -1.25 -3.98 118.16 123.12 3fg6 n LYS 487 Ca 0.18 -1.81 -0.33 0.00 -2.87 0.00 0.00 58.31 53.48 3fg6 n LYS 487 Cb 0.42 -2.91 0.04 0.00 -1.84 0.00 0.00 35.03 30.74 3fg6 n LYS 487 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3fg6 n ASP 488 N 7.69 -5.25 -3.86 4.39 2.03 -1.26 -5.02 116.55 115.27 3fg6 n ASP 488 Ca 0.49 -1.03 -0.12 0.00 0.52 0.00 0.00 54.79 54.66 3fg6 n ASP 488 Cb 0.41 -3.15 -0.13 0.00 -0.72 0.00 0.00 41.12 37.53 3fg6 n ASP 488 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 3fg6 s LYS 489 N -6.05 0.14 0.60 -0.67 0.00 -1.26 -5.11 119.74 107.39 3fg6 s LYS 489 Ca 0.45 0.00 -0.19 0.00 0.00 0.00 0.00 55.97 56.24 3fg6 s LYS 489 Cb -0.17 0.06 -0.03 0.00 0.00 0.00 0.00 37.83 37.68 3fg6 s LYS 489 CO 0.87 -0.02 1.19 -1.25 0.00 0.00 0.00 175.35 176.15 3fg6 s PRO 490 N -0.20 2.97 0.38 1.78 0.04 -1.26 -4.91 135.00 133.80 3fg6 s PRO 490 Ca -0.03 1.78 -0.26 0.00 0.04 0.00 0.00 61.00 62.54 3fg6 s PRO 490 Cb -0.02 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 3fg6 s PRO 490 CO 0.00 -1.19 1.12 -0.51 0.04 0.00 0.00 177.00 176.46 3fg6 s LEU 491 N -4.12 4.24 -0.01 -3.56 2.01 -0.96 -4.81 118.68 111.46 3fg6 s LEU 491 Ca 0.76 2.25 0.05 0.00 0.01 0.00 0.00 54.13 57.20 3fg6 s LEU 491 Cb -0.29 -4.00 -0.03 0.00 0.01 0.00 0.00 46.19 41.88 3fg6 s LEU 491 CO 0.33 -0.54 -0.17 -0.63 1.01 0.00 0.00 176.35 176.36 3fg6 s ILE 492 N -1.44 2.86 -0.17 -0.59 -1.09 -0.16 -1.18 121.20 119.43 3fg6 s ILE 492 Ca 0.55 -0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3fg6 s ILE 492 Cb -0.28 -2.14 0.05 0.00 -1.58 0.00 0.00 42.46 38.50 3fg6 s ILE 492 CO 0.36 0.50 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.91 3fg6 s ILE 493 N -0.79 0.97 0.60 2.92 -1.09 0.54 -1.66 121.20 122.69 3fg6 s ILE 493 Ca 0.13 -0.59 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 3fg6 s ILE 493 Cb -0.10 -1.21 0.07 0.00 -1.58 0.00 0.00 42.46 39.63 3fg6 s ILE 493 CO 0.02 0.06 0.83 -0.31 -1.23 0.00 0.00 174.94 174.31 3fg6 s TYR 494 N 1.69 2.24 0.26 3.97 4.12 -0.17 -0.75 117.35 128.71 3fg6 s TYR 494 Ca 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 57.07 56.82 3fg6 s TYR 494 Cb -0.16 -2.72 0.33 0.00 -1.52 0.00 0.00 41.96 37.89 3fg6 s TYR 494 CO -0.07 -1.14 1.85 -1.00 0.02 0.00 0.00 175.55 175.21 3fg6 h PRO 509 N -0.05 1.04 -5.48 -1.71 0.13 -1.98 -3.39 132.00 120.56 3fg6 h PRO 509 Ca -0.38 -0.15 -0.59 0.00 -0.87 0.00 0.00 66.00 64.00 3fg6 h PRO 509 Cb 1.28 -0.19 -0.10 0.00 0.13 0.00 0.00 31.00 32.13 3fg6 h PRO 509 CO 0.46 0.82 -0.34 0.99 -0.23 0.00 0.00 178.00 179.70 3fg6 s THR 510 N -5.56 5.31 0.01 1.56 2.01 -1.26 -3.69 115.64 114.02 3fg6 s THR 510 Ca -0.11 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.42 3fg6 s THR 510 Cb 0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 3fg6 s THR 510 CO 0.81 0.39 -0.03 -0.13 -0.69 0.00 0.00 174.62 174.98 3fg6 s ARG 511 N 0.44 0.25 -0.10 4.92 0.52 -0.39 -4.97 118.95 119.62 3fg6 s ARG 511 Ca 0.16 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 3fg6 s ARG 511 Cb -0.13 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.20 3fg6 s ARG 511 CO 0.03 0.04 -0.17 -1.17 0.02 0.00 0.00 175.30 174.05 3fg6 s LEU 512 N -0.44 1.80 -0.08 2.53 2.96 -1.26 -0.23 118.68 123.95 3fg6 s LEU 512 Ca -0.03 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 3fg6 s LEU 512 Cb -0.03 -1.13 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3fg6 s LEU 512 CO -0.00 0.04 -0.19 -0.36 -1.32 0.00 0.00 176.35 174.53 3fg6 s PHE 513 N 0.84 2.63 -0.23 5.38 0.40 -0.28 -0.61 117.98 126.10 3fg6 s PHE 513 Ca -0.09 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 55.57 3fg6 s PHE 513 Cb -0.16 -1.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 3fg6 s PHE 513 CO 0.01 -0.12 0.13 -1.14 0.70 0.00 0.00 175.22 174.79 3fg6 s GLN 514 N -0.13 3.97 -0.24 0.44 0.74 0.19 -1.44 119.66 123.19 3fg6 s GLN 514 Ca -0.03 -0.33 -0.06 0.00 0.05 0.00 0.00 55.36 54.99 3fg6 s GLN 514 Cb -0.14 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 3fg6 s GLN 514 CO 0.04 0.04 0.03 0.08 -0.55 0.00 0.00 175.29 174.93 3fg6 s VAL 515 N 1.07 4.03 -0.01 1.34 1.01 0.97 -0.34 120.40 128.47 3fg6 s VAL 515 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3fg6 s VAL 515 Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3fg6 s VAL 515 CO 0.04 0.37 -0.02 -0.60 0.00 0.00 0.00 175.10 174.89 3fg6 s ARG 516 N 1.52 0.26 -0.06 2.72 3.52 -0.10 -2.42 118.95 124.39 3fg6 s ARG 516 Ca 0.06 -0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.63 3fg6 s ARG 516 Cb -0.15 -0.30 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 3fg6 s ARG 516 CO 0.02 0.01 -0.13 0.50 -0.81 0.00 0.00 175.30 174.88 3fg6 s ARG 517 N 0.25 1.72 -0.06 5.12 3.52 -1.26 -0.37 118.95 127.86 3fg6 s ARG 517 Ca -0.02 -0.43 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3fg6 s ARG 517 Cb -0.05 -1.42 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 3fg6 s ARG 517 CO -0.01 0.04 -0.11 0.54 -0.81 0.00 0.00 175.30 174.96 3fg6 s ASN 518 N 0.62 1.61 -0.85 -2.12 2.20 -1.26 -4.93 114.94 110.20 3fg6 s ASN 518 Ca -0.14 -0.26 -0.03 0.00 -0.94 0.00 0.00 52.86 51.48 3fg6 s ASN 518 Cb -0.16 -0.70 0.00 0.00 -2.00 0.00 0.00 41.25 38.40 3fg6 s ASN 518 CO 0.04 0.03 0.63 0.18 -2.94 0.00 0.00 177.10 175.04 3fg6 n LEU 519 N 3.75 -2.68 0.00 3.54 4.77 -1.26 -4.26 117.00 120.85 3fg6 n LEU 519 Ca -0.23 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3fg6 n LEU 519 Cb 0.52 -1.95 0.00 0.00 -2.33 0.00 0.00 43.42 39.66 3fg6 n LEU 519 CO 0.25 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 3fg6 n ALA 520 N -2.70 0.00 -0.88 -1.18 0.00 -1.26 -4.85 120.51 109.64 3fg6 n ALA 520 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3fg6 n ALA 520 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 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 7.93 0.00 -3.61 0.00 3.41 -1.26 -4.63 113.62 115.46 3fg6 n SER 521 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3fg6 n SER 521 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.07 -1.33 2.07 -1.26 -4.97 121.20 115.64 3fg6 s ILE 522 Ca 0.00 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.94 3fg6 s ILE 522 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 3fg6 s ILE 522 CO 0.00 0.00 1.13 -0.89 -1.91 0.00 0.00 174.94 173.27 3fg6 s THR 523 N -1.10 4.43 -0.19 4.00 2.01 -1.26 -4.61 115.64 118.92 3fg6 s THR 523 Ca 0.04 1.73 -0.05 0.00 0.31 0.00 0.00 61.69 63.73 3fg6 s THR 523 Cb -0.01 -4.11 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 3fg6 s THR 523 CO -0.03 0.01 -0.01 -0.13 -0.69 0.00 0.00 174.62 173.76 3fg6 s ARG 524 N 2.09 3.60 -0.23 4.92 0.52 0.50 -2.26 118.95 128.09 3fg6 s ARG 524 Ca 0.53 -0.53 -0.05 0.00 -0.52 0.00 0.00 55.73 55.16 3fg6 s ARG 524 Cb -0.23 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 3fg6 s ARG 524 CO 0.21 0.03 -0.02 0.42 0.02 0.00 0.00 175.30 175.96 3fg6 s ILE 525 N 0.94 3.57 -0.09 1.52 1.01 -0.32 -0.92 121.20 126.90 3fg6 s ILE 525 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.24 3fg6 s ILE 525 Cb -0.14 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.71 3fg6 s ILE 525 CO 0.02 0.41 -0.10 -0.69 0.00 0.00 0.00 174.94 174.57 3fg6 s VAL 526 N 1.51 1.10 0.21 2.92 1.01 0.54 -0.34 120.40 127.35 3fg6 s VAL 526 Ca 0.06 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3fg6 s VAL 526 Cb -0.14 -1.06 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 3fg6 s VAL 526 CO -0.02 0.37 1.42 -0.70 0.00 0.00 0.00 175.10 176.16 3fg6 s GLU 527 N 1.23 4.30 0.32 2.72 2.12 0.07 0.53 118.70 129.99 3fg6 s GLU 527 Ca -0.04 2.22 0.04 0.00 0.36 0.00 0.00 54.97 57.55 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 -0.40 0.06 0.14 -0.54 0.00 0.00 175.26 174.49 3fg6 s VAL 528 N 0.27 1.12 0.45 3.70 -7.23 0.22 -4.90 120.40 114.02 3fg6 s VAL 528 Ca 0.60 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.53 3fg6 s VAL 528 Cb -0.40 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 3fg6 s VAL 528 CO 0.39 0.00 1.26 0.47 -0.31 0.00 0.00 175.10 176.91 3fg6 n ASP 529 N -0.69 2.43 -1.93 4.85 8.00 -1.26 -4.30 116.55 123.65 3fg6 n ASP 529 Ca -0.02 1.07 -0.11 0.00 0.71 0.00 0.00 54.79 56.45 3fg6 n ASP 529 Cb 0.67 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 40.15 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 -0.39 2.80 -4.12 2.53 0.24 -1.26 -4.75 118.33 113.38 3fg6 n VAL 530 Ca 0.07 -1.41 -0.22 0.00 -2.04 0.00 0.00 64.34 60.74 3fg6 n VAL 530 Cb 0.41 -1.83 -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 1.80 5.12 0.29 -1.34 1.11 -1.26 -4.67 116.67 117.73 3fg6 s ASP 531 Ca 0.50 -0.46 0.09 0.00 0.18 0.00 0.00 52.55 52.86 3fg6 s ASP 531 Cb 0.25 -1.11 0.44 0.00 1.07 0.00 0.00 42.92 43.58 3fg6 s ASP 531 CO -0.02 -0.10 1.67 0.00 1.18 0.00 0.00 175.17 177.90 3fg6 h ALA 532 N 1.57 1.08 -0.04 5.23 0.00 -1.80 -2.84 119.26 122.46 3fg6 h ALA 532 Ca -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 53.98 3fg6 h ALA 532 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.65 0.00 0.27 0.00 0.00 0.00 179.25 180.77 3fg6 n ASN 533 N -3.94 0.20 0.17 0.00 0.23 -1.26 -1.80 115.26 108.85 3fg6 n ASN 533 Ca -0.02 -1.92 0.11 0.00 -0.53 0.00 0.00 54.58 52.23 3fg6 n ASN 533 Cb 0.53 -0.02 0.09 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.23 0.00 -4.17 0.53 0.02 -1.79 -3.38 113.55 104.98 3fg6 h SER 534 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3fg6 h SER 534 Cb 0.05 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.74 3fg6 h SER 534 CO 0.00 0.02 0.40 -0.76 -1.14 0.00 0.00 176.83 175.34 3fg6 s LEU 535 N -5.85 3.34 -0.19 5.07 1.43 -0.75 -4.89 118.68 116.84 3fg6 s LEU 535 Ca 0.04 2.32 -0.06 0.00 -1.03 0.00 0.00 54.13 55.40 3fg6 s LEU 535 Cb 0.07 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.79 3fg6 s LEU 535 CO 0.72 -2.16 0.39 0.21 0.23 0.00 0.00 176.35 175.74 3fg6 s ASN 536 N -2.06 -0.12 0.64 2.29 3.84 -1.26 -2.18 114.94 116.10 3fg6 s ASN 536 Ca 0.74 0.86 0.36 0.00 0.21 0.00 0.00 52.86 55.03 3fg6 s ASN 536 Cb -0.28 1.23 2.02 0.00 -0.55 0.00 0.00 41.25 43.66 3fg6 s ASN 536 CO 0.44 -0.24 2.21 0.28 -2.79 0.00 0.00 177.10 177.00 3fg6 h SER 537 N 8.19 0.00 1.38 -4.21 0.02 -1.73 -2.18 113.55 115.02 3fg6 h SER 537 Ca -0.16 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 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 -0.64 -1.13 -1.14 0.00 0.00 176.83 174.06 3fg6 h ASN 538 N 0.00 0.00 -0.87 3.07 -0.73 -1.67 -1.34 115.58 114.03 3fg6 h ASN 538 Ca 0.02 0.00 -0.62 0.00 1.87 0.00 0.00 56.30 57.57 3fg6 h ASN 538 Cb 0.24 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 38.73 3fg6 h ASN 538 CO -0.00 0.12 -0.47 -1.81 -0.37 0.00 0.00 177.43 174.90 3fg6 s ASP 539 N -5.84 4.28 0.02 1.15 1.01 -0.82 -3.63 116.67 112.85 3fg6 s ASP 539 Ca 0.02 -1.39 0.02 0.00 0.71 0.00 0.00 52.55 51.91 3fg6 s ASP 539 Cb 0.08 0.14 -0.04 0.00 1.01 0.00 0.00 42.92 44.10 3fg6 s ASP 539 CO 0.74 -0.78 0.04 -0.69 0.21 0.00 0.00 175.17 174.69 3fg6 s VAL 540 N -2.76 4.38 0.06 -1.27 1.01 -1.01 -2.21 120.40 118.58 3fg6 s VAL 540 Ca 0.25 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.67 3fg6 s VAL 540 Cb 0.02 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3fg6 s VAL 540 CO 0.14 0.29 -0.19 -0.36 0.00 0.00 0.00 175.10 174.99 3fg6 s PHE 541 N -1.20 1.61 -0.19 5.22 0.08 -0.21 -0.02 117.98 123.26 3fg6 s PHE 541 Ca 0.23 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 3fg6 s PHE 541 Cb -0.12 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.41 3fg6 s PHE 541 CO 0.14 0.10 -0.16 0.08 -0.10 0.00 0.00 175.22 175.29 3fg6 s VAL 542 N -0.94 2.37 -0.43 -0.44 1.01 -0.52 -0.15 120.40 121.31 3fg6 s VAL 542 Ca 0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 3fg6 s VAL 542 Cb -0.09 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.32 3fg6 s VAL 542 CO 0.02 0.48 0.29 -0.22 0.00 0.00 0.00 175.10 175.67 3fg6 s LEU 543 N 1.32 5.25 -0.17 3.92 0.20 0.55 -1.12 118.68 128.63 3fg6 s LEU 543 Ca 0.04 -1.45 -0.23 0.00 0.69 0.00 0.00 54.13 53.19 3fg6 s LEU 543 Cb -0.14 -2.03 -0.02 0.00 -0.43 0.00 0.00 46.19 43.57 3fg6 s LEU 543 CO -0.10 -0.56 0.71 -0.75 -0.29 0.00 0.00 176.35 175.36 3fg6 s LYS 544 N 1.48 4.27 0.37 1.98 2.20 0.67 -1.87 119.74 128.83 3fg6 s LYS 544 Ca 0.03 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.43 3fg6 s LYS 544 Cb -0.23 -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 0.57 -0.51 -0.36 0.00 0.00 175.35 174.84 3fg6 s LEU 545 N 1.88 3.95 0.61 5.43 1.43 0.46 -1.26 118.68 131.18 3fg6 s LEU 545 Ca 0.33 0.44 0.37 0.00 -1.03 0.00 0.00 54.13 54.24 3fg6 s LEU 545 Cb -0.16 -3.31 1.96 0.00 0.03 0.00 0.00 46.19 44.71 3fg6 s LEU 545 CO 0.12 -0.36 2.23 -0.65 0.23 0.00 0.00 176.35 177.92 3fg6 h PRO 546 N 0.69 0.00 -0.30 1.29 0.11 -1.85 -2.63 132.00 129.31 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 0.61 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.42 3fg6 n GLN 547 N -3.34 1.56 -3.30 1.05 10.64 -1.26 -4.89 117.38 117.84 3fg6 n GLN 547 Ca -0.02 -0.76 -0.16 0.00 -1.83 0.00 0.00 57.00 54.22 3fg6 n GLN 547 Cb 0.14 -1.24 0.08 0.00 -0.86 0.00 0.00 30.24 28.36 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 0.11 -3.03 -2.99 2.61 3.02 -0.99 -5.04 115.26 108.96 3fg6 n ASN 548 Ca 0.07 -0.52 -0.15 0.00 -0.03 0.00 0.00 54.58 53.95 3fg6 n ASN 548 Cb 0.22 -4.52 -0.04 0.00 -0.61 0.00 0.00 39.78 34.83 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 -2.75 -1.27 0.00 6.41 3.41 -1.25 -3.01 113.62 115.16 3fg6 n SER 549 Ca -0.18 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.53 3fg6 n SER 549 Cb 0.62 2.40 0.00 0.00 -0.26 0.00 0.00 64.21 66.98 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 -0.59 3.21 5.00 0.00 -0.59 -0.40 105.19 111.26 3fg6 n GLY 550 Ca 0.01 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 1.82 -0.34 1.61 2.02 -0.78 -0.48 117.35 118.19 3fg6 s TYR 551 Ca 0.00 -0.35 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 3fg6 s TYR 551 Cb 0.00 -1.17 -0.00 0.00 -0.40 0.00 0.00 41.96 40.39 3fg6 s TYR 551 CO 0.00 -0.03 0.20 0.42 -1.57 0.00 0.00 175.55 174.57 3fg6 s ILE 552 N -0.47 4.84 -0.43 2.71 1.01 -0.20 -0.33 121.20 128.33 3fg6 s ILE 552 Ca 0.08 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.11 3fg6 s ILE 552 Cb -0.08 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.90 3fg6 s ILE 552 CO -0.01 -0.05 0.33 0.86 0.00 0.00 0.00 174.94 176.07 3fg6 s TRP 553 N 1.64 3.25 -0.33 3.97 -0.00 0.78 -0.96 118.94 127.29 3fg6 s TRP 553 Ca 0.04 -0.83 -0.23 0.00 -0.00 0.00 0.00 56.10 55.08 3fg6 s TRP 553 Cb -0.18 -2.85 0.00 0.00 -0.00 0.00 0.00 33.47 30.45 3fg6 s TRP 553 CO 0.08 -0.70 0.77 0.08 -0.00 0.00 0.00 176.95 177.17 3fg6 s VAL 554 N 1.63 4.79 0.84 5.86 1.01 -0.34 -1.05 120.40 133.14 3fg6 s VAL 554 Ca 0.04 1.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 3fg6 s VAL 554 Cb -0.22 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.11 3fg6 s VAL 554 CO 0.08 -0.31 1.11 -0.83 0.00 0.00 0.00 175.10 175.15 3fg6 s GLY 555 N 1.71 1.68 0.36 4.51 0.00 -0.94 -1.44 107.32 113.20 3fg6 s GLY 555 Ca 0.31 0.38 0.10 0.00 0.00 0.00 0.00 44.72 45.51 3fg6 s GLY 555 CO 0.14 0.77 1.83 0.50 0.00 0.00 0.00 173.10 176.34 3fg6 h LYS 556 N -1.47 0.16 -0.85 2.90 1.57 -1.61 -3.06 116.57 114.21 3fg6 h LYS 556 Ca -0.44 -0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 57.69 3fg6 h LYS 556 Cb 1.25 -0.01 -0.36 0.00 0.08 0.00 0.00 32.23 33.19 3fg6 h LYS 556 CO 0.47 0.44 -0.04 0.41 -0.57 0.00 0.00 179.45 180.16 3fg6 n GLY 557 N -0.56 6.13 3.88 3.86 0.00 -0.60 -4.73 105.19 113.16 3fg6 n GLY 557 Ca -0.01 -2.47 -0.36 0.00 0.00 0.00 0.00 46.02 43.18 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 -3.69 3.87 0.58 4.61 0.00 -1.16 -3.81 121.76 122.16 3fg6 s ALA 558 Ca 0.57 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.83 3fg6 s ALA 558 Cb 0.45 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3fg6 s ALA 558 CO 0.02 0.64 0.97 -1.54 0.00 0.00 0.00 175.76 175.85 3fg6 s SER 559 N -1.38 6.27 0.33 0.00 1.04 -1.26 -4.97 113.70 113.73 3fg6 s SER 559 Ca 0.21 1.33 0.03 0.00 0.48 0.00 0.00 55.95 58.01 3fg6 s SER 559 Cb -0.13 -2.43 0.58 0.00 0.10 0.00 0.00 66.02 64.14 3fg6 s SER 559 CO 0.11 -0.78 1.88 -0.61 0.98 0.00 0.00 173.24 174.81 3fg6 h GLN 560 N -0.09 0.59 -0.34 4.02 5.75 -2.00 -2.25 115.11 120.78 3fg6 h GLN 560 Ca -0.45 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 57.90 3fg6 h GLN 560 Cb 1.19 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.63 3fg6 h GLN 560 CO 0.62 0.58 0.06 0.93 -2.65 0.00 0.00 178.83 178.37 3fg6 h GLU 561 N 0.57 0.51 -0.12 1.69 3.07 -2.00 -1.77 114.58 116.54 3fg6 h GLU 561 Ca 0.13 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 3fg6 h GLU 561 Cb 0.29 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3fg6 h GLU 561 CO 0.00 0.49 -0.50 0.93 -1.40 0.00 0.00 179.01 178.53 3fg6 h GLU 562 N 0.50 0.31 -0.37 2.33 5.08 -1.79 -1.96 114.58 118.69 3fg6 h GLU 562 Ca 0.11 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 3fg6 h GLU 562 Cb 0.23 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3fg6 h GLU 562 CO -0.00 0.75 -0.28 1.49 -1.00 0.00 0.00 179.01 179.97 3fg6 h GLU 563 N 0.25 0.77 -0.72 2.33 4.81 -1.02 -2.06 114.58 118.94 3fg6 h GLU 563 Ca 0.01 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 3fg6 h GLU 563 Cb 0.97 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3fg6 h GLU 563 CO 0.08 0.95 0.24 0.87 -0.73 0.00 0.00 179.01 180.43 3fg6 h LYS 564 N 0.66 1.11 -0.30 1.92 1.57 -1.12 -1.38 116.57 119.03 3fg6 h LYS 564 Ca 0.08 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3fg6 h LYS 564 Cb 0.80 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 3fg6 h LYS 564 CO 0.07 0.94 0.20 0.78 -0.57 0.00 0.00 179.45 180.86 3fg6 h GLY 565 N 1.05 0.42 0.22 3.86 0.00 -1.25 -1.71 103.07 105.67 3fg6 h GLY 565 Ca 0.23 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.46 3fg6 h GLY 565 CO -0.01 0.15 -0.23 0.00 0.00 0.00 0.00 176.54 176.44 3fg6 h ALA 566 N 1.11 -0.16 -0.02 3.60 0.00 -1.07 -0.98 119.26 121.74 3fg6 h ALA 566 Ca 0.11 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3fg6 h ALA 566 Cb -0.04 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fg6 h ALA 566 CO -0.03 -0.68 0.02 0.93 0.00 0.00 0.00 179.25 179.50 3fg6 h GLU 567 N -0.27 0.00 -0.00 0.00 5.08 -1.06 -2.04 114.58 116.29 3fg6 h GLU 567 Ca 0.12 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3fg6 h GLU 567 Cb 0.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3fg6 h GLU 567 CO -0.35 0.00 -0.37 -0.92 -1.00 0.00 0.00 179.01 176.37 3fg6 h TYR 568 N 0.00 0.38 -0.71 4.33 3.20 -0.26 -3.12 116.97 120.80 3fg6 h TYR 568 Ca 0.01 -0.20 0.01 0.00 3.14 0.00 0.00 58.73 61.68 3fg6 h TYR 568 Cb 0.06 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 3fg6 h TYR 568 CO 0.00 1.01 0.47 0.28 -1.64 0.00 0.00 178.16 178.28 3fg6 h VAL 569 N -0.35 1.18 -0.68 1.81 2.07 -0.97 -2.27 116.25 117.04 3fg6 h VAL 569 Ca -0.04 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.29 3fg6 h VAL 569 Cb 1.11 0.14 -0.11 0.00 -1.52 0.00 0.00 31.29 30.90 3fg6 h VAL 569 CO 0.07 0.17 0.02 0.00 0.02 0.00 0.00 177.57 177.86 3fg6 h ALA 570 N 1.26 0.70 0.00 1.67 0.00 -1.46 0.36 119.26 121.80 3fg6 h ALA 570 Ca 0.26 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 3fg6 h ALA 570 Cb -0.10 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fg6 h ALA 570 CO -0.06 -0.40 -0.52 0.66 0.00 0.00 0.00 179.25 178.93 3fg6 h SER 571 N 0.13 0.00 0.12 0.00 4.64 -1.37 -0.54 113.55 116.53 3fg6 h SER 571 Ca 0.36 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 3fg6 h SER 571 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3fg6 h SER 571 CO -0.57 0.52 -0.52 0.58 -0.87 0.00 0.00 176.83 175.97 3fg6 h VAL 572 N 0.00 1.33 -0.01 0.95 2.07 -0.55 -3.03 116.25 117.01 3fg6 h VAL 572 Ca -0.01 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.74 3fg6 h VAL 572 Cb 0.96 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 3fg6 h VAL 572 CO 0.07 0.54 -0.05 0.18 0.02 0.00 0.00 177.57 178.33 3fg6 n LEU 573 N -3.96 0.90 -3.71 2.57 4.77 -0.05 -4.94 117.00 112.59 3fg6 n LEU 573 Ca -0.03 -0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.43 3fg6 n LEU 573 Cb 0.58 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.65 3fg6 n LEU 573 CO 0.45 0.15 -0.10 0.29 -1.33 0.00 0.00 177.39 176.86 3fg6 n LYS 574 N -0.41 -2.43 -4.71 3.23 5.02 -0.78 -4.98 118.16 113.09 3fg6 n LYS 574 Ca 0.18 0.51 -0.33 0.00 -2.02 0.00 0.00 58.31 56.65 3fg6 n LYS 574 Cb 0.28 -4.53 -0.16 0.00 -0.02 0.00 0.00 35.03 30.60 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 3.20 -0.01 0.00 2.20 -1.16 -4.67 119.74 120.02 3fg6 s LYS 576 Ca -0.09 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.94 3fg6 s LYS 576 Cb -0.16 -4.15 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 3fg6 s LYS 576 CO 0.01 -1.71 0.19 0.95 -0.36 0.00 0.00 175.35 174.43 3fg6 s THR 577 N 4.16 5.42 -0.13 3.43 -4.23 -1.26 -1.54 115.64 121.50 3fg6 s THR 577 Ca 0.26 -0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 3fg6 s THR 577 Cb -0.14 -3.54 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 3fg6 s THR 577 CO 0.14 0.32 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.27 3fg6 s LEU 578 N -1.93 3.18 -0.28 4.79 2.96 0.36 -4.93 118.68 122.83 3fg6 s LEU 578 Ca 0.27 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.88 3fg6 s LEU 578 Cb -0.13 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 3fg6 s LEU 578 CO 0.19 0.23 0.58 -0.60 -1.32 0.00 0.00 176.35 175.43 3fg6 s ARG 579 N 0.00 3.98 0.12 1.98 3.52 -1.26 -1.03 118.95 126.25 3fg6 s ARG 579 Ca -0.00 0.32 0.10 0.00 -0.13 0.00 0.00 55.73 56.02 3fg6 s ARG 579 Cb -0.13 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.52 3fg6 s ARG 579 CO 0.03 -0.47 -0.24 0.96 -0.81 0.00 0.00 175.30 174.76 3fg6 s ILE 580 N 2.48 2.03 0.10 4.11 -4.36 -0.14 -4.97 121.20 120.46 3fg6 s ILE 580 Ca 0.24 -1.68 0.05 0.00 -0.26 0.00 0.00 60.65 59.00 3fg6 s ILE 580 Cb -0.15 -1.82 -0.04 0.00 1.25 0.00 0.00 42.46 41.70 3fg6 s ILE 580 CO 0.10 0.02 0.01 -1.58 0.24 0.00 0.00 174.94 173.74 3fg6 s GLN 581 N -2.01 2.56 0.10 0.37 0.74 -1.26 -1.20 119.66 118.95 3fg6 s GLN 581 Ca 0.11 -0.87 -0.33 0.00 0.05 0.00 0.00 55.36 54.33 3fg6 s GLN 581 Cb -0.10 -2.53 -0.12 0.00 1.10 0.00 0.00 33.01 31.36 3fg6 s GLN 581 CO 0.05 0.53 1.76 -1.91 -0.55 0.00 0.00 175.29 175.18 3fg6 n GLU 582 N 0.43 2.50 0.00 1.67 2.13 -0.52 -0.67 120.64 126.18 3fg6 n GLU 582 Ca -0.10 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.63 3fg6 n GLU 582 Cb 0.52 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.48 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 4.01 3.32 0.82 8.31 0.00 -1.26 -4.86 105.19 115.54 3fg6 n GLY 583 Ca 0.18 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 -1.61 2.05 -2.06 1.61 4.71 0.15 -5.04 120.64 120.45 3fg6 n GLU 584 Ca 0.00 -2.99 -0.42 0.00 -0.01 0.00 0.00 57.16 53.75 3fg6 n GLU 584 Cb 0.00 -1.75 -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 -3.05 4.29 1.06 3.49 8.01 -1.16 -4.51 118.70 126.83 3fg6 s GLU 585 Ca 0.41 2.23 -0.15 0.00 0.01 0.00 0.00 54.97 57.47 3fg6 s GLU 585 Cb 0.36 -3.15 0.22 0.00 -4.31 0.00 0.00 34.13 27.25 3fg6 s GLU 585 CO 0.02 -0.41 1.11 -1.25 0.01 0.00 0.00 175.26 174.75 3fg6 s PRO 586 N 0.02 -0.03 0.36 0.39 0.04 -1.26 -4.97 135.00 129.53 3fg6 s PRO 586 Ca 0.61 0.24 0.24 0.00 0.04 0.00 0.00 61.00 62.12 3fg6 s PRO 586 Cb -0.40 -1.71 0.40 0.00 0.04 0.00 0.00 34.50 32.83 3fg6 s PRO 586 CO 0.39 -2.98 1.58 1.49 0.04 0.00 0.00 177.00 177.52 3fg6 h GLU 587 N -2.07 0.00 0.00 4.56 4.57 -2.02 -3.21 114.58 116.41 3fg6 h GLU 587 Ca -0.51 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.63 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 -0.20 1.49 -1.18 0.00 0.00 179.01 179.62 3fg6 h GLU 588 N 0.00 0.00 -0.61 1.92 4.81 -1.99 -3.03 114.58 115.68 3fg6 h GLU 588 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3fg6 h GLU 588 Cb 0.94 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3fg6 h GLU 588 CO 0.00 0.20 0.35 0.35 -0.73 0.00 0.00 179.01 179.19 3fg6 h PHE 589 N 0.00 0.82 -0.26 0.92 3.04 -1.94 -2.14 116.94 117.38 3fg6 h PHE 589 Ca -0.00 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 61.79 3fg6 h PHE 589 Cb 0.99 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.22 3fg6 h PHE 589 CO 0.00 0.57 -0.43 -1.49 -2.02 0.00 0.00 178.31 174.94 3fg6 h TRP 590 N 0.83 0.77 -0.45 0.41 -0.00 -1.70 -3.00 115.95 112.80 3fg6 h TRP 590 Ca 0.22 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.89 58.85 3fg6 h TRP 590 Cb 0.01 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 28.98 3fg6 h TRP 590 CO -0.02 0.96 0.19 -0.91 -0.00 0.00 0.00 178.44 178.66 3fg6 h ASN 591 N 0.52 0.57 1.36 -3.49 4.21 -1.39 0.36 115.58 117.72 3fg6 h ASN 591 Ca 0.04 -0.06 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 3fg6 h ASN 591 Cb 0.96 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.00 3fg6 h ASN 591 CO 0.09 0.51 -0.38 0.28 -1.29 0.00 0.00 177.43 176.64 3fg6 h SER 592 N 0.63 0.00 -0.00 5.81 0.02 -1.30 -2.61 113.55 116.09 3fg6 h SER 592 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3fg6 h SER 592 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3fg6 h SER 592 CO -0.02 0.38 -0.01 0.18 -1.14 0.00 0.00 176.83 176.23 3fg6 n LEU 593 N -3.27 1.29 -0.91 5.07 4.77 -1.03 -4.94 117.00 117.97 3fg6 n LEU 593 Ca 0.02 -0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 55.54 3fg6 n LEU 593 Cb 0.63 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.72 3fg6 n LEU 593 CO 0.38 0.22 0.03 0.61 -1.33 0.00 0.00 177.39 177.30 3fg6 n GLY 594 N 1.16 0.75 0.00 -0.72 0.00 -0.91 -4.20 105.19 101.27 3fg6 n GLY 594 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.71 2.56 3.67 -0.02 0.00 0.12 -4.98 105.19 105.82 3fg6 n GLY 595 Ca -0.00 -1.74 -0.42 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 -3.99 4.29 0.13 1.61 2.20 -1.26 -4.55 119.74 118.17 3fg6 s LYS 596 Ca 0.00 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 3fg6 s LYS 596 Cb 0.00 -3.59 -0.00 0.00 -1.51 0.00 0.00 37.83 32.73 3fg6 s LYS 596 CO 0.00 -0.42 0.00 1.63 -0.36 0.00 0.00 175.35 176.20 3fg6 n LYS 597 N 5.55 1.64 -3.52 4.03 4.76 -1.26 -5.10 118.16 124.26 3fg6 n LYS 597 Ca 0.07 -0.94 -0.40 0.00 -2.87 0.00 0.00 58.31 54.18 3fg6 n LYS 597 Cb 0.48 0.26 -0.10 0.00 -1.84 0.00 0.00 35.03 33.83 3fg6 n LYS 597 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fg6 s ASP 598 N -1.71 6.08 0.21 4.39 -0.00 -1.26 -4.87 116.67 119.51 3fg6 s ASP 598 Ca 0.00 -0.21 0.02 0.00 -0.00 0.00 0.00 52.55 52.36 3fg6 s ASP 598 Cb 0.00 -2.15 0.02 0.00 -0.00 0.00 0.00 42.92 40.79 3fg6 s ASP 598 CO 0.00 -0.18 0.16 0.00 -0.00 0.00 0.00 175.17 175.15 3fg6 n TYR 599 N 5.14 -1.27 -2.11 4.23 0.18 -1.26 -4.55 117.16 117.53 3fg6 n TYR 599 Ca -0.12 -0.87 -0.40 0.00 1.88 0.00 0.00 57.90 58.39 3fg6 n TYR 599 Cb 0.50 -0.17 -0.03 0.00 -0.38 0.00 0.00 39.34 39.26 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 -2.86 2.85 0.06 -3.48 -0.21 -0.93 -4.85 119.66 110.25 3fg6 s GLN 600 Ca 0.12 0.66 -0.01 0.00 0.02 0.00 0.00 55.36 56.15 3fg6 s GLN 600 Cb -0.01 -4.31 -0.04 0.00 1.00 0.00 0.00 33.01 29.65 3fg6 s GLN 600 CO 0.08 -2.46 -0.01 -0.08 -2.12 0.00 0.00 175.29 170.70 3fg6 s THR 601 N 8.16 0.20 0.06 -0.19 -1.32 -1.26 -2.64 115.64 118.64 3fg6 s THR 601 Ca 0.65 -1.79 -0.28 0.00 -1.21 0.00 0.00 61.69 59.07 3fg6 s THR 601 Cb -0.14 -1.56 0.09 0.00 -1.51 0.00 0.00 72.50 69.38 3fg6 s THR 601 CO 0.23 -0.93 1.08 -0.94 -2.21 0.00 0.00 174.62 171.85 3fg6 s SER 602 N -2.93 -0.15 0.51 8.08 1.04 -1.26 -4.47 113.70 114.52 3fg6 s SER 602 Ca 0.09 -0.25 0.34 0.00 0.48 0.00 0.00 55.95 56.60 3fg6 s SER 602 Cb 0.08 0.34 1.55 0.00 0.10 0.00 0.00 66.02 68.09 3fg6 s SER 602 CO -0.09 -0.63 2.01 -0.65 0.98 0.00 0.00 173.24 174.86 3fg6 h PRO 603 N 2.00 0.00 -0.01 4.02 0.11 -2.01 -3.06 132.00 133.05 3fg6 h PRO 603 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3fg6 h PRO 603 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fg6 h PRO 603 CO 0.27 0.00 -0.15 -0.11 -0.21 0.00 0.00 178.00 177.80 3fg6 n LEU 604 N -2.87 1.20 -0.42 2.35 7.94 -1.26 -4.29 117.00 119.65 3fg6 n LEU 604 Ca -0.00 -0.80 0.14 0.00 -1.11 0.00 0.00 56.01 54.24 3fg6 n LEU 604 Cb 0.21 0.00 0.57 0.00 0.53 0.00 0.00 43.42 44.73 3fg6 n LEU 604 CO 0.23 0.24 0.89 0.18 -1.11 0.00 0.00 177.39 177.82 3fg6 n LEU 605 N -0.17 1.31 -1.09 -1.96 4.77 -1.16 -3.64 117.00 115.05 3fg6 n LEU 605 Ca 0.04 -0.44 0.08 0.00 -0.03 0.00 0.00 56.01 55.65 3fg6 n LEU 605 Cb 0.19 -0.01 0.28 0.00 -2.33 0.00 0.00 43.42 41.54 3fg6 n LEU 605 CO 0.10 0.22 0.73 -0.62 -1.33 0.00 0.00 177.39 176.50 3fg6 n GLU 606 N 0.03 3.33 -4.44 3.23 1.02 -1.23 -2.00 120.64 120.57 3fg6 n GLU 606 Ca 0.19 -2.74 -0.22 0.00 -0.02 0.00 0.00 57.16 54.37 3fg6 n GLU 606 Cb 0.32 -1.80 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 3fg6 n GLU 606 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3fg6 s THR 607 N -2.30 2.07 -0.73 2.62 -4.23 -1.24 -3.69 115.64 108.14 3fg6 s THR 607 Ca 0.42 -2.26 -0.26 0.00 -1.18 0.00 0.00 61.69 58.40 3fg6 s THR 607 Cb 0.31 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 3fg6 s THR 607 CO 0.14 -0.40 1.79 -1.58 -0.54 0.00 0.00 174.62 174.03 3fg6 s GLN 608 N -3.61 2.74 0.20 3.99 0.74 -1.25 -4.62 119.66 117.85 3fg6 s GLN 608 Ca 0.28 0.15 0.11 0.00 0.05 0.00 0.00 55.36 55.96 3fg6 s GLN 608 Cb -0.01 -4.61 0.62 0.00 1.10 0.00 0.00 33.01 30.12 3fg6 s GLN 608 CO 0.12 -2.80 1.30 0.00 -0.55 0.00 0.00 175.29 173.36 3fg6 n ALA 609 N 12.43 0.87 -0.46 1.58 0.00 -1.26 -3.01 120.51 130.65 3fg6 n ALA 609 Ca 0.24 0.11 0.38 0.00 0.00 0.00 0.00 53.44 54.17 3fg6 n ALA 609 Cb 0.50 -1.01 0.66 0.00 0.00 0.00 0.00 19.45 19.60 3fg6 n ALA 609 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3fg6 h GLU 610 N 0.00 0.07 -0.99 0.00 -0.00 -1.96 0.19 114.58 111.89 3fg6 h GLU 610 Ca 0.00 -0.00 0.34 0.00 -0.00 0.00 0.00 59.36 59.69 3fg6 h GLU 610 Cb 0.20 -0.02 -0.16 0.00 -0.00 0.00 0.00 28.75 28.78 3fg6 h GLU 610 CO 0.00 0.05 0.50 -0.44 -0.00 0.00 0.00 179.01 179.12 3fg6 h ASP 611 N 0.08 0.37 -1.67 3.06 3.32 -1.96 -3.36 116.42 116.26 3fg6 h ASP 611 Ca 0.83 0.22 -0.14 0.00 0.02 0.00 0.00 57.03 57.95 3fg6 h ASP 611 Cb 2.64 0.20 -0.28 0.00 0.22 0.00 0.00 39.33 42.11 3fg6 h ASP 611 CO -0.40 -0.23 -0.49 -2.28 -1.72 0.00 0.00 179.24 174.12 3fg6 s HIS 612 N -5.67 -1.05 0.30 4.55 2.46 0.66 -5.15 115.29 111.40 3fg6 s HIS 612 Ca -0.10 0.63 -0.29 0.00 0.47 0.00 0.00 55.06 55.76 3fg6 s HIS 612 Cb 0.31 -0.02 -0.10 0.00 -0.13 0.00 0.00 32.58 32.63 3fg6 s HIS 612 CO 0.78 -0.90 1.41 -1.25 -2.47 0.00 0.00 174.74 172.32 3fg6 s PRO 613 N 2.58 4.26 0.29 2.88 0.04 -1.25 -4.90 135.00 138.89 3fg6 s PRO 613 Ca 0.11 2.34 -0.29 0.00 0.04 0.00 0.00 61.00 63.20 3fg6 s PRO 613 Cb -0.13 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 31.24 3fg6 s PRO 613 CO -0.25 -0.38 1.38 -1.25 0.04 0.00 0.00 177.00 176.54 3fg6 s PRO 614 N -1.14 4.30 -0.06 0.56 0.04 -1.26 -4.87 135.00 132.57 3fg6 s PRO 614 Ca 0.55 2.26 0.04 0.00 0.04 0.00 0.00 61.00 63.89 3fg6 s PRO 614 Cb -0.42 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.03 3fg6 s PRO 614 CO 0.50 -0.32 -0.18 1.03 0.04 0.00 0.00 177.00 178.07 3fg6 s ARG 615 N -1.03 2.07 -0.10 4.56 0.52 -0.79 -5.00 118.95 119.18 3fg6 s ARG 615 Ca 0.54 -0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.13 3fg6 s ARG 615 Cb -0.41 -1.71 -0.02 0.00 0.52 0.00 0.00 34.95 33.33 3fg6 s ARG 615 CO 0.48 0.19 -0.12 -1.17 0.02 0.00 0.00 175.30 174.70 3fg6 s LEU 616 N 0.23 2.82 0.04 2.53 2.96 -1.26 -1.04 118.68 124.97 3fg6 s LEU 616 Ca -0.09 -0.23 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3fg6 s LEU 616 Cb -0.14 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3fg6 s LEU 616 CO 0.04 0.25 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.80 3fg6 s TYR 617 N -0.15 1.83 -0.32 5.38 1.51 0.12 -0.27 117.35 125.44 3fg6 s TYR 617 Ca -0.00 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.57 3fg6 s TYR 617 Cb -0.13 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3fg6 s TYR 617 CO 0.03 0.08 0.19 0.20 -1.11 0.00 0.00 175.55 174.95 3fg6 s GLY 618 N -1.14 1.91 -0.28 0.71 0.00 0.12 -0.97 107.32 107.67 3fg6 s GLY 618 Ca 0.08 -1.35 -0.07 0.00 0.00 0.00 0.00 44.72 43.37 3fg6 s GLY 618 CO 0.02 0.72 0.09 0.00 0.00 0.00 0.00 173.10 173.92 3fg6 s SER 620 N 1.56 0.37 -0.05 0.00 0.15 -1.08 -1.70 113.70 112.95 3fg6 s SER 620 Ca 0.04 -1.11 0.11 0.00 0.70 0.00 0.00 55.95 55.70 3fg6 s SER 620 Cb -0.16 0.26 0.20 0.00 -1.71 0.00 0.00 66.02 64.61 3fg6 s SER 620 CO 0.03 -0.68 1.09 -0.46 1.20 0.00 0.00 173.24 174.42 3fg6 n ASN 621 N -0.02 0.93 0.30 5.45 2.04 -1.26 -1.37 115.26 121.34 3fg6 n ASN 621 Ca -0.09 -2.45 0.19 0.00 -0.44 0.00 0.00 54.58 51.79 3fg6 n ASN 621 Cb 0.63 -0.31 0.93 0.00 -2.53 0.00 0.00 39.78 38.50 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 0.32 0.00 -0.37 -3.83 2.10 -1.97 -1.85 116.57 110.97 3fg6 h LYS 622 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3fg6 h LYS 622 Cb 1.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.70 3fg6 h LYS 622 CO 0.02 0.01 0.00 0.25 -2.00 0.00 0.00 179.45 177.73 3fg6 n THR 623 N -3.15 0.49 0.00 0.07 -2.24 -1.26 -4.97 114.28 103.23 3fg6 n THR 623 Ca -0.01 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3fg6 n THR 623 Cb 0.19 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 1.19 2.15 3.81 3.38 0.00 -0.69 -4.99 105.19 110.03 3fg6 n GLY 624 Ca 0.15 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 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 3.71 -0.42 1.61 1.81 -1.26 -4.94 118.95 119.46 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 -2.09 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 3fg6 s ARG 625 CO 0.00 -0.49 0.95 0.12 -0.68 0.00 0.00 175.30 175.19 3fg6 s PHE 626 N -2.22 2.99 -0.09 -0.53 5.36 -1.26 -4.40 117.98 117.84 3fg6 s PHE 626 Ca 0.65 0.61 0.05 0.00 -0.96 0.00 0.00 56.93 57.27 3fg6 s PHE 626 Cb -0.15 -3.85 -0.00 0.00 -0.34 0.00 0.00 43.02 38.68 3fg6 s PHE 626 CO 0.26 -0.98 -0.24 0.14 -1.46 0.00 0.00 175.22 172.94 3fg6 s VAL 627 N 3.68 2.08 -0.25 3.12 -7.23 -0.47 -5.01 120.40 116.33 3fg6 s VAL 627 Ca 0.39 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 59.43 3fg6 s VAL 627 Cb -0.11 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3fg6 s VAL 627 CO 0.23 0.56 0.16 -0.63 -0.31 0.00 0.00 175.10 175.11 3fg6 s ILE 628 N 0.18 5.25 0.02 -0.62 1.01 -1.26 -2.62 121.20 123.16 3fg6 s ILE 628 Ca -0.14 0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.70 3fg6 s ILE 628 Cb -0.17 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3fg6 s ILE 628 CO 0.07 0.33 -0.13 -1.83 0.00 0.00 0.00 174.94 173.38 3fg6 s GLU 629 N 1.23 0.95 0.27 2.79 -1.05 -0.72 -4.99 118.70 117.19 3fg6 s GLU 629 Ca 0.07 -0.62 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 3fg6 s GLU 629 Cb -0.14 -0.94 -0.09 0.00 -0.44 0.00 0.00 34.13 32.52 3fg6 s GLU 629 CO 0.06 0.24 0.98 -2.00 0.95 0.00 0.00 175.26 175.49 3fg6 s GLU 630 N -0.79 4.74 -0.17 -4.83 2.12 -1.26 0.13 118.70 118.64 3fg6 s GLU 630 Ca 0.03 1.53 -0.29 0.00 0.36 0.00 0.00 54.97 56.60 3fg6 s GLU 630 Cb -0.07 -3.16 -0.00 0.00 0.26 0.00 0.00 34.13 31.16 3fg6 s GLU 630 CO 0.00 0.39 1.11 0.42 -0.54 0.00 0.00 175.26 176.64 3fg6 s ILE 631 N -1.26 4.56 0.31 -3.70 -1.09 0.62 -4.85 121.20 115.79 3fg6 s ILE 631 Ca 0.44 1.87 -0.20 0.00 -2.23 0.00 0.00 60.65 60.53 3fg6 s ILE 631 Cb -0.26 -4.20 -0.09 0.00 -1.58 0.00 0.00 42.46 36.33 3fg6 s ILE 631 CO 0.32 -0.11 0.81 -2.16 -1.23 0.00 0.00 174.94 172.57 3fg6 s PRO 632 N 2.93 4.23 2.31 2.79 0.04 -1.26 -4.69 135.00 141.34 3fg6 s PRO 632 Ca 0.49 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3fg6 s PRO 632 Cb -0.18 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3fg6 s PRO 632 CO 0.12 0.22 0.00 0.41 0.04 0.00 0.00 177.00 177.79 3fg6 n GLY 633 N 0.10 -1.11 3.77 0.56 0.00 -1.26 -4.73 105.19 102.52 3fg6 n GLY 633 Ca 0.02 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 4.28 0.19 1.61 0.41 -1.26 -5.03 118.70 118.89 3fg6 s GLU 634 Ca 0.00 2.27 0.09 0.00 -0.41 0.00 0.00 54.97 56.92 3fg6 s GLU 634 Cb 0.00 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.28 3fg6 s GLU 634 CO 0.00 -0.27 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.82 3fg6 s PHE 635 N -1.15 2.64 0.32 1.61 -0.12 -1.26 -4.75 117.98 115.27 3fg6 s PHE 635 Ca 0.50 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 57.24 3fg6 s PHE 635 Cb -0.41 -1.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.68 3fg6 s PHE 635 CO 0.54 0.53 0.28 0.25 -0.05 0.00 0.00 175.22 176.77 3fg6 n THR 636 N -0.06 0.00 -0.31 -4.49 -2.24 -1.26 -4.74 114.28 101.17 3fg6 n THR 636 Ca -0.10 -2.37 0.09 0.00 -2.27 0.00 0.00 64.05 59.39 3fg6 n THR 636 Cb 0.56 1.19 0.25 0.00 -2.10 0.00 0.00 70.33 70.23 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 0.62 0.00 -0.78 4.15 -1.97 -1.37 115.11 115.76 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 1.17 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.72 3fg6 h GLN 637 CO 0.33 0.41 0.00 -0.25 -1.93 0.00 0.00 178.83 177.39 3fg6 n ASP 638 N -4.86 0.00 0.19 -0.69 9.92 -1.26 -2.00 116.55 117.85 3fg6 n ASP 638 Ca 0.19 0.39 0.13 0.00 -0.53 0.00 0.00 54.79 54.97 3fg6 n ASP 638 Cb 0.48 -0.45 0.38 0.00 -0.64 0.00 0.00 41.12 40.89 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 -2.42 -2.24 3.32 -1.66 -3.43 116.42 110.00 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 0.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3fg6 h ASP 639 CO 0.00 0.00 1.22 -0.76 -1.72 0.00 0.00 179.24 177.98 3fg6 s LEU 640 N -5.57 3.34 -0.41 1.55 1.43 -0.85 -4.92 118.68 113.25 3fg6 s LEU 640 Ca 0.06 0.35 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 3fg6 s LEU 640 Cb 0.08 -2.85 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 3fg6 s LEU 640 CO 0.59 -1.99 1.99 0.00 0.23 0.00 0.00 176.35 177.17 3fg6 s ALA 641 N 7.33 2.46 0.55 4.21 0.00 -1.26 -4.85 121.76 130.20 3fg6 s ALA 641 Ca 0.60 0.09 0.37 0.00 0.00 0.00 0.00 51.96 53.01 3fg6 s ALA 641 Cb -0.13 -4.15 1.53 0.00 0.00 0.00 0.00 23.12 20.37 3fg6 s ALA 641 CO 0.23 -3.29 1.76 1.49 0.00 0.00 0.00 175.76 175.96 3fg6 h GLU 642 N 14.93 0.00 -0.41 0.00 4.81 -1.93 -0.99 114.58 130.99 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 1.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 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 -4.06 4.08 -0.74 1.04 5.75 -1.26 -2.83 116.55 118.52 3fg6 n ASP 643 Ca 0.26 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.41 3fg6 n ASP 643 Cb 1.29 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 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 0.25 0.15 -4.42 -1.12 10.43 -0.38 -3.82 116.55 117.64 3fg6 n ASP 644 Ca 0.21 -0.69 -0.33 0.00 2.57 0.00 0.00 54.79 56.55 3fg6 n ASP 644 Cb 0.82 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.64 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 -1.59 2.89 -0.11 2.53 1.01 -0.69 -1.78 120.40 122.67 3fg6 s VAL 645 Ca 0.00 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3fg6 s VAL 645 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3fg6 s VAL 645 CO 0.00 0.58 -0.16 -0.04 0.00 0.00 0.00 175.10 175.47 3fg6 s MET 646 N -0.45 3.14 -0.28 2.72 1.00 0.34 0.01 119.30 125.78 3fg6 s MET 646 Ca 0.05 -0.74 -0.10 0.00 0.00 0.00 0.00 55.69 54.90 3fg6 s MET 646 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 34.83 32.17 3fg6 s MET 646 CO 0.02 0.28 0.17 -0.51 0.00 0.00 0.00 175.02 174.98 3fg6 s LEU 647 N 0.15 3.97 -0.36 -0.03 1.43 -0.15 0.02 118.68 123.71 3fg6 s LEU 647 Ca -0.09 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 3fg6 s LEU 647 Cb -0.15 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.07 3fg6 s LEU 647 CO 0.05 -0.07 0.12 -0.22 0.23 0.00 0.00 176.35 176.46 3fg6 s LEU 648 N 1.72 4.70 -0.70 1.79 2.96 -0.07 0.13 118.68 129.22 3fg6 s LEU 648 Ca 0.07 -1.70 -0.25 0.00 -0.22 0.00 0.00 54.13 52.03 3fg6 s LEU 648 Cb -0.16 -1.79 0.05 0.00 0.50 0.00 0.00 46.19 44.79 3fg6 s LEU 648 CO 0.09 -0.42 1.14 -0.62 -1.32 0.00 0.00 176.35 175.22 3fg6 s ASP 649 N 1.57 6.17 -0.08 3.68 2.15 -0.20 -0.71 116.67 129.25 3fg6 s ASP 649 Ca 0.03 -0.67 0.12 0.00 0.43 0.00 0.00 52.55 52.46 3fg6 s ASP 649 Cb -0.21 -2.50 0.48 0.00 -0.30 0.00 0.00 42.92 40.38 3fg6 s ASP 649 CO -0.03 -1.66 1.32 0.00 -0.17 0.00 0.00 175.17 174.63 3fg6 n ALA 650 N 8.66 2.95 0.00 3.66 0.00 0.28 -1.89 120.51 134.17 3fg6 n ALA 650 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3fg6 n ALA 650 Cb 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.48 0.00 -0.00 -1.26 -3.99 117.44 113.30 3fg6 n TRP 651 Ca 0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.78 3fg6 n TRP 651 Cb 0.65 0.00 0.45 0.00 -0.00 0.00 0.00 31.31 32.41 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 0.16 -3.57 5.87 0.28 -1.26 -4.83 120.64 117.30 3fg6 n GLU 652 Ca 0.00 0.34 -0.15 0.00 -0.16 0.00 0.00 57.16 57.19 3fg6 n GLU 652 Cb 0.00 -1.78 -0.06 0.00 1.43 0.00 0.00 31.44 31.03 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 -3.21 0.89 -0.17 3.44 0.74 -1.26 -4.30 119.66 115.79 3fg6 s GLN 653 Ca 0.06 0.49 0.01 0.00 0.05 0.00 0.00 55.36 55.97 3fg6 s GLN 653 Cb 0.10 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.65 3fg6 s GLN 653 CO 0.41 -0.22 -0.18 0.42 -0.55 0.00 0.00 175.29 175.17 3fg6 s ILE 654 N -0.60 2.30 -0.14 -2.34 1.01 -0.73 -0.55 121.20 120.15 3fg6 s ILE 654 Ca -0.05 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 3fg6 s ILE 654 Cb -0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 3fg6 s ILE 654 CO 0.05 0.52 0.13 -0.36 0.00 0.00 0.00 174.94 175.28 3fg6 s PHE 655 N 1.15 3.51 -0.35 3.97 0.08 0.12 -0.80 117.98 125.66 3fg6 s PHE 655 Ca 0.01 0.44 -0.02 0.00 0.12 0.00 0.00 56.93 57.48 3fg6 s PHE 655 Cb -0.14 -1.99 0.08 0.00 -0.57 0.00 0.00 43.02 40.39 3fg6 s PHE 655 CO -0.08 0.59 0.09 0.42 -0.10 0.00 0.00 175.22 176.13 3fg6 s ILE 656 N -0.62 3.09 -0.31 0.64 1.01 -0.40 -0.89 121.20 123.72 3fg6 s ILE 656 Ca 0.13 -1.70 -0.20 0.00 0.00 0.00 0.00 60.65 58.88 3fg6 s ILE 656 Cb -0.12 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 3fg6 s ILE 656 CO 0.02 -0.37 0.60 0.86 0.00 0.00 0.00 174.94 176.06 3fg6 s TRP 657 N 1.19 3.21 -0.33 3.97 -0.00 0.10 0.06 118.94 127.15 3fg6 s TRP 657 Ca 0.01 0.52 -0.14 0.00 -0.00 0.00 0.00 56.10 56.50 3fg6 s TRP 657 Cb -0.21 -2.96 -0.02 0.00 -0.00 0.00 0.00 33.47 30.28 3fg6 s TRP 657 CO -0.03 -0.47 0.30 0.42 -0.00 0.00 0.00 176.95 177.17 3fg6 s ILE 658 N 2.55 5.23 0.60 5.86 1.01 0.11 -0.50 121.20 136.05 3fg6 s ILE 658 Ca 0.24 0.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.74 3fg6 s ILE 658 Cb -0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 3fg6 s ILE 658 CO 0.12 0.00 1.09 -0.83 0.00 0.00 0.00 174.94 175.32 3fg6 s GLY 659 N 1.73 2.29 0.21 6.18 0.00 -0.73 -2.01 107.32 114.98 3fg6 s GLY 659 Ca 0.09 0.57 0.14 0.00 0.00 0.00 0.00 44.72 45.53 3fg6 s GLY 659 CO 0.11 0.91 1.43 0.58 0.00 0.00 0.00 173.10 176.14 3fg6 n LYS 660 N -1.91 0.09 -0.30 2.90 2.85 -1.13 -2.63 118.16 118.03 3fg6 n LYS 660 Ca 0.10 0.59 0.07 0.00 -1.05 0.00 0.00 58.31 58.02 3fg6 n LYS 660 Cb 0.52 -1.80 0.11 0.00 -0.65 0.00 0.00 35.03 33.21 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 -1.99 1.66 -4.82 -5.58 8.00 -1.21 -5.07 116.55 107.54 3fg6 n ASP 661 Ca -0.01 -2.89 -0.33 0.00 0.71 0.00 0.00 54.79 52.27 3fg6 n ASP 661 Cb 0.02 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.12 3.04 0.84 2.24 0.00 -1.08 -4.64 121.76 120.04 3fg6 s ALA 662 Ca 0.25 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 3fg6 s ALA 662 Cb 0.23 -3.14 0.10 0.00 0.00 0.00 0.00 23.12 20.31 3fg6 s ALA 662 CO 0.00 0.13 1.16 -0.80 0.00 0.00 0.00 175.76 176.24 3fg6 s ASN 663 N -2.20 3.54 0.30 0.00 -0.87 -1.26 -4.95 114.94 109.51 3fg6 s ASN 663 Ca 0.62 2.18 0.10 0.00 -1.57 0.00 0.00 52.86 54.19 3fg6 s ASN 663 Cb -0.09 -2.57 0.46 0.00 -0.02 0.00 0.00 41.25 39.03 3fg6 s ASN 663 CO 0.13 -2.69 1.68 -0.33 -2.57 0.00 0.00 177.10 173.32 3fg6 h GLU 664 N -1.29 0.04 -0.20 -0.60 4.39 -2.00 -2.81 114.58 112.11 3fg6 h GLU 664 Ca -0.44 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.06 3fg6 h GLU 664 Cb 1.27 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3fg6 h GLU 664 CO 0.45 0.56 -0.59 -0.39 -1.16 0.00 0.00 179.01 177.89 3fg6 h VAL 665 N 0.03 1.31 -0.58 3.13 -1.51 -1.99 -1.97 116.25 114.67 3fg6 h VAL 665 Ca -0.00 -1.83 0.03 0.00 -1.23 0.00 0.00 66.70 63.67 3fg6 h VAL 665 Cb 0.95 1.78 -0.04 0.00 -2.13 0.00 0.00 31.29 31.85 3fg6 h VAL 665 CO 0.07 0.57 0.34 -0.33 -1.23 0.00 0.00 177.57 177.00 3fg6 h GLU 666 N 0.49 0.65 -0.38 5.19 5.08 -1.92 -1.04 114.58 122.65 3fg6 h GLU 666 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3fg6 h GLU 666 Cb 1.16 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3fg6 h GLU 666 CO 0.12 0.43 0.21 0.87 -1.00 0.00 0.00 179.01 179.64 3fg6 h LYS 667 N 0.67 0.53 0.20 2.33 1.57 -1.38 -2.96 116.57 117.54 3fg6 h LYS 667 Ca 0.24 -0.06 -0.29 0.00 -1.87 0.00 0.00 60.65 58.66 3fg6 h LYS 667 Cb 0.04 -0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.28 3fg6 h LYS 667 CO -0.11 0.43 -1.28 0.87 -0.57 0.00 0.00 179.45 178.79 3fg6 h LYS 668 N 0.49 0.51 -0.00 3.15 6.56 -0.99 -2.91 116.57 123.37 3fg6 h LYS 668 Ca 0.13 -0.82 0.00 0.00 -1.06 0.00 0.00 60.65 58.91 3fg6 h LYS 668 Cb 0.05 0.30 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3fg6 h LYS 668 CO -0.02 1.38 -0.06 0.39 -2.06 0.00 0.00 179.45 179.08 3fg6 n GLU 669 N -3.83 0.91 0.09 3.15 -0.58 -0.43 -1.29 120.64 118.66 3fg6 n GLU 669 Ca -0.16 -0.29 0.12 0.00 -0.42 0.00 0.00 57.16 56.42 3fg6 n GLU 669 Cb 1.01 -1.49 0.21 0.00 -0.57 0.00 0.00 31.44 30.60 3fg6 n GLU 669 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3fg6 h SER 670 N 0.70 0.00 0.00 1.62 0.02 -1.51 -2.76 113.55 111.62 3fg6 h SER 670 Ca 0.00 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3fg6 h SER 670 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3fg6 h SER 670 CO 0.00 0.06 -0.28 0.25 -1.14 0.00 0.00 176.83 175.72 3fg6 h LEU 671 N 0.00 0.00 -0.62 5.07 6.46 -1.12 -3.00 115.31 122.11 3fg6 h LEU 671 Ca 0.00 -0.58 0.13 0.00 -0.12 0.00 0.00 57.88 57.30 3fg6 h LEU 671 Cb 0.80 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 40.62 3fg6 h LEU 671 CO 0.00 0.95 -0.09 0.50 -0.62 0.00 0.00 178.44 179.18 3fg6 h LYS 672 N -1.00 0.04 -0.48 1.25 3.64 -1.31 -0.45 116.57 118.26 3fg6 h LYS 672 Ca -0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3fg6 h LYS 672 Cb 0.78 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3fg6 h LYS 672 CO -0.04 0.03 0.29 0.77 -2.27 0.00 0.00 179.45 178.22 3fg6 h SER 673 N 0.04 0.57 0.26 4.20 0.02 -1.64 -2.56 113.55 114.45 3fg6 h SER 673 Ca 0.31 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3fg6 h SER 673 Cb 0.49 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 3fg6 h SER 673 CO -0.59 0.46 -0.14 0.00 -1.14 0.00 0.00 176.83 175.42 3fg6 h ALA 674 N 1.13 1.47 0.42 3.77 0.00 -1.02 0.12 119.26 125.16 3fg6 h ALA 674 Ca 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3fg6 h ALA 674 Cb -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fg6 h ALA 674 CO -0.03 0.18 -0.20 0.87 0.00 0.00 0.00 179.25 180.06 3fg6 h LYS 675 N 0.00 -0.55 0.00 0.00 1.57 -0.75 -3.30 116.57 113.55 3fg6 h LYS 675 Ca -0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3fg6 h LYS 675 Cb 0.31 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3fg6 h LYS 675 CO 0.02 -0.29 0.00 0.00 -0.57 0.00 0.00 179.45 178.61 3fg6 n MET 676 N -5.16 0.12 -0.20 3.15 0.00 -1.05 -2.04 117.12 111.94 3fg6 n MET 676 Ca -0.08 0.28 0.01 0.00 0.00 0.00 0.00 57.70 57.91 3fg6 n MET 676 Cb 0.26 -1.70 0.11 0.00 0.00 0.00 0.00 33.22 31.89 3fg6 n MET 676 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 3fg6 h TYR 677 N 0.00 0.13 -0.21 3.17 3.20 -0.83 -3.51 116.97 118.92 3fg6 h TYR 677 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3fg6 h TYR 677 Cb 0.41 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3fg6 h TYR 677 CO 0.00 -0.08 0.00 1.28 -1.64 0.00 0.00 178.16 177.72 3fg6 n LEU 678 N -5.18 0.00 0.00 2.82 4.77 -0.87 -5.10 117.00 113.45 3fg6 n LEU 678 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3fg6 n LEU 678 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3fg6 n LEU 678 CO 0.15 -0.37 0.00 0.41 -1.33 0.00 0.00 177.39 176.25 3fg6 n THR 689 N -0.73 0.00 -1.36 -5.08 -1.04 -1.26 -5.08 114.28 99.72 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 2.14 0.52 -3.54 -2.82 -0.02 -1.26 -4.85 135.00 125.16 3fg6 n PRO 690 Ca 0.00 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 3fg6 n PRO 690 Cb 0.00 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 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 -1.81 0.11 -0.17 4.25 2.07 -1.26 -1.77 121.20 122.61 3fg6 s ILE 691 Ca 0.74 -1.14 -0.12 0.00 -1.41 0.00 0.00 60.65 58.71 3fg6 s ILE 691 Cb -0.34 -1.10 -0.05 0.00 0.13 0.00 0.00 42.46 41.10 3fg6 s ILE 691 CO 0.50 -0.81 0.23 -0.69 -1.91 0.00 0.00 174.94 172.26 3fg6 s VAL 692 N 1.71 5.35 -0.18 4.00 1.01 0.02 -4.97 120.40 127.34 3fg6 s VAL 692 Ca 0.12 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.38 3fg6 s VAL 692 Cb -0.18 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3fg6 s VAL 692 CO -0.24 0.42 0.25 -0.63 0.00 0.00 0.00 175.10 174.91 3fg6 s ILE 693 N 0.34 5.33 -0.09 2.22 1.01 -1.26 -1.28 121.20 127.47 3fg6 s ILE 693 Ca 0.13 0.45 0.03 0.00 0.00 0.00 0.00 60.65 61.26 3fg6 s ILE 693 Cb -0.12 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3fg6 s ILE 693 CO 0.02 0.39 -0.17 -0.63 0.00 0.00 0.00 174.94 174.55 3fg6 s ILE 694 N 0.52 1.54 0.21 2.92 1.09 0.11 -4.94 121.20 122.65 3fg6 s ILE 694 Ca 0.14 -0.71 -0.14 0.00 -1.10 0.00 0.00 60.65 58.85 3fg6 s ILE 694 Cb -0.13 -1.38 -0.08 0.00 -1.06 0.00 0.00 42.46 39.82 3fg6 s ILE 694 CO 0.03 0.45 0.61 -0.54 -0.10 0.00 0.00 174.94 175.38 3fg6 s LYS 695 N 0.63 3.98 0.34 2.79 -0.14 -1.26 0.04 119.74 126.11 3fg6 s LYS 695 Ca -0.14 0.52 -0.29 0.00 -1.36 0.00 0.00 55.97 54.70 3fg6 s LYS 695 Cb -0.16 -2.77 -0.11 0.00 -1.68 0.00 0.00 37.83 33.11 3fg6 s LYS 695 CO 0.04 0.37 1.44 -1.14 -0.76 0.00 0.00 175.35 175.30 3fg6 s GLN 696 N -2.36 4.20 0.00 1.68 0.74 -0.85 -1.91 119.66 121.16 3fg6 s GLN 696 Ca 0.44 2.44 0.00 0.00 0.05 0.00 0.00 55.36 58.28 3fg6 s GLN 696 Cb -0.13 -3.02 0.00 0.00 1.10 0.00 0.00 33.01 30.95 3fg6 s GLN 696 CO 0.20 -0.43 0.00 0.41 -0.55 0.00 0.00 175.29 174.92 3fg6 n GLY 697 N 0.95 2.13 0.65 2.59 0.00 -1.26 -4.79 105.19 105.45 3fg6 n GLY 697 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 0.25 -2.38 1.61 8.25 -0.80 -5.06 115.22 115.09 3fg6 n HIS 698 Ca 0.00 -1.43 -0.42 0.00 -0.26 0.00 0.00 57.72 55.61 3fg6 n HIS 698 Cb 0.00 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 30.79 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 -3.18 4.39 0.61 -0.41 8.01 -1.23 -4.62 118.70 122.27 3fg6 s GLU 699 Ca 0.39 1.82 -0.16 0.00 0.01 0.00 0.00 54.97 57.02 3fg6 s GLU 699 Cb 0.36 -3.38 -0.03 0.00 -4.31 0.00 0.00 34.13 26.78 3fg6 s GLU 699 CO -0.04 -0.33 1.07 -1.25 0.01 0.00 0.00 175.26 174.73 3fg6 s PRO 700 N 1.32 3.18 0.48 0.39 0.04 -1.26 -4.84 135.00 134.31 3fg6 s PRO 700 Ca 0.60 1.27 0.17 0.00 0.04 0.00 0.00 61.00 63.08 3fg6 s PRO 700 Cb -0.30 -2.01 1.18 0.00 0.04 0.00 0.00 34.50 33.41 3fg6 s PRO 700 CO 0.28 -0.93 2.03 -1.35 0.04 0.00 0.00 177.00 177.07 3fg6 h PRO 701 N 0.37 0.20 0.00 0.56 0.11 -1.95 -1.21 132.00 130.08 3fg6 h PRO 701 Ca -0.47 -0.01 -0.03 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 32.29 3fg6 h PRO 701 CO 0.56 0.13 -0.12 0.00 -0.21 0.00 0.00 178.00 178.36 3fg6 h THR 702 N 0.21 0.79 0.08 -1.15 1.03 -1.89 -1.38 112.91 110.59 3fg6 h THR 702 Ca 0.20 -0.47 -0.31 0.00 -0.01 0.00 0.00 66.41 65.82 3fg6 h THR 702 Cb 0.53 1.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.87 3fg6 h THR 702 CO -0.04 0.12 -1.71 0.33 -0.01 0.00 0.00 175.52 174.22 3fg6 n PHE 703 N -3.96 1.18 0.21 0.00 7.35 -0.56 -4.31 117.46 117.36 3fg6 n PHE 703 Ca -0.02 0.34 0.10 0.00 -0.76 0.00 0.00 57.45 57.10 3fg6 n PHE 703 Cb 0.21 -1.14 0.64 0.00 0.35 0.00 0.00 39.48 39.54 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 -0.35 0.96 0.00 -2.13 2.02 -1.09 -2.98 112.91 109.33 3fg6 h THR 704 Ca -0.40 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 3fg6 h THR 704 Cb 1.75 0.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.09 3fg6 h THR 704 CO -0.03 0.01 -0.02 1.23 0.37 0.00 0.00 175.52 177.08 3fg6 h GLY 705 N 0.03 0.00 1.02 2.16 0.00 -1.44 -2.26 103.07 102.57 3fg6 h GLY 705 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -4.11 0.00 -4.29 5.60 7.02 -1.13 -4.67 117.44 115.86 3fg6 n TRP 706 Ca -0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.11 3fg6 n TRP 706 Cb 0.10 -0.01 -0.14 0.00 -2.42 0.00 0.00 31.31 28.85 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 -2.02 2.91 0.03 -5.99 0.40 -0.85 -5.02 117.98 107.45 3fg6 s PHE 707 Ca 0.39 -0.79 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 3fg6 s PHE 707 Cb 0.18 -1.98 -0.07 0.00 0.51 0.00 0.00 43.02 41.65 3fg6 s PHE 707 CO 0.31 -0.38 1.62 -1.17 0.70 0.00 0.00 175.22 176.30 3fg6 s LEU 708 N 0.92 4.35 0.00 -0.37 2.96 -1.26 -4.52 118.68 120.76 3fg6 s LEU 708 Ca -0.01 2.38 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3fg6 s LEU 708 Cb -0.15 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 3fg6 s LEU 708 CO 0.00 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.77 3fg6 n GLY 709 N 3.97 0.16 0.00 7.98 0.00 -1.26 -4.85 105.19 111.19 3fg6 n GLY 709 Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 5.12 0.00 -2.89 1.61 -0.00 -1.26 -4.97 117.44 115.05 3fg6 n TRP 710 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 3fg6 n TRP 710 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.27 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 0.00 6.63 0.39 5.87 2.15 -1.26 -4.88 116.67 125.57 3fg6 s ASP 711 Ca 0.00 0.51 0.20 0.00 0.43 0.00 0.00 52.55 53.69 3fg6 s ASP 711 Cb 0.00 -2.43 0.74 0.00 -0.30 0.00 0.00 42.92 40.93 3fg6 s ASP 711 CO 0.00 -0.76 1.75 -1.28 -0.17 0.00 0.00 175.17 174.71 3fg6 h SER 712 N 8.41 0.00 -0.01 -0.34 0.87 -1.99 -3.09 113.55 117.40 3fg6 h SER 712 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3fg6 h SER 712 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 3fg6 h SER 712 CO 0.94 0.33 0.00 -1.54 -0.53 0.00 0.00 176.83 176.02 3fg6 n SER 713 N -3.48 0.29 0.03 6.23 3.41 -1.26 -2.89 113.62 115.94 3fg6 n SER 713 Ca -0.00 -2.00 -0.06 0.00 -0.26 0.00 0.00 58.87 56.55 3fg6 n SER 713 Cb 0.49 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 3fg6 n SER 713 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fg6 h LYS 714 N 0.04 0.00 0.00 4.33 1.57 -1.97 -3.56 116.57 116.98 3fg6 h LYS 714 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg6 h LYS 714 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3fg6 h LYS 714 CO 0.00 0.67 0.00 -2.67 -0.57 0.00 0.00 179.45 176.88