#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 4.30 -0.13 1.61 2.20 -0.99 -4.89 119.74 121.84 3fg6 s LYS 397 Ca 0.00 1.63 -0.01 0.00 -0.36 0.00 0.00 55.97 57.22 3fg6 s LYS 397 Cb 0.00 -3.64 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 3fg6 s LYS 397 CO 0.00 -0.55 -0.09 0.08 -0.36 0.00 0.00 175.35 174.43 3fg6 s VAL 398 N 2.77 3.47 -0.04 4.02 1.01 -1.26 -1.64 120.40 128.73 3fg6 s VAL 398 Ca 0.54 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.03 3fg6 s VAL 398 Cb -0.22 -2.48 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3fg6 s VAL 398 CO 0.18 0.52 -0.12 -1.61 0.00 0.00 0.00 175.10 174.07 3fg6 s GLU 399 N 0.17 1.38 -0.07 2.72 2.02 -0.44 -5.00 118.70 119.48 3fg6 s GLU 399 Ca -0.05 -0.42 0.04 0.00 0.02 0.00 0.00 54.97 54.56 3fg6 s GLU 399 Cb -0.14 -1.22 -0.00 0.00 0.10 0.00 0.00 34.13 32.87 3fg6 s GLU 399 CO 0.04 0.14 -0.20 0.42 0.02 0.00 0.00 175.26 175.68 3fg6 s ILE 400 N 0.25 1.70 -0.05 -1.63 1.01 -1.26 -0.22 121.20 121.00 3fg6 s ILE 400 Ca -0.06 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 59.80 3fg6 s ILE 400 Cb -0.11 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3fg6 s ILE 400 CO 0.02 0.48 -0.21 0.26 0.00 0.00 0.00 174.94 175.49 3fg6 s TRP 401 N 0.18 2.08 -0.17 3.97 0.51 -0.36 -1.95 118.94 123.20 3fg6 s TRP 401 Ca -0.10 -0.62 -0.28 0.00 -2.12 0.00 0.00 56.10 52.98 3fg6 s TRP 401 Cb -0.15 -1.38 -0.01 0.00 -0.81 0.00 0.00 33.47 31.13 3fg6 s TRP 401 CO 0.05 -0.20 0.95 0.50 -0.51 0.00 0.00 176.95 177.73 3fg6 s ARG 402 N -0.03 4.32 -0.52 4.98 3.52 -0.24 -0.26 118.95 130.72 3fg6 s ARG 402 Ca -0.05 1.23 -0.29 0.00 -0.13 0.00 0.00 55.73 56.50 3fg6 s ARG 402 Cb -0.13 -3.59 0.03 0.00 -1.56 0.00 0.00 34.95 29.70 3fg6 s ARG 402 CO 0.03 -0.42 1.21 0.08 -0.81 0.00 0.00 175.30 175.39 3fg6 s VAL 403 N 2.45 4.06 0.03 7.11 1.01 0.30 -2.46 120.40 132.89 3fg6 s VAL 403 Ca 0.43 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.45 3fg6 s VAL 403 Cb -0.17 -4.60 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 3fg6 s VAL 403 CO 0.12 -1.14 -0.09 -0.70 0.00 0.00 0.00 175.10 173.29 3fg6 s GLU 404 N 4.81 0.65 6.08 2.72 2.12 -1.25 -4.47 118.70 129.35 3fg6 s GLU 404 Ca 0.48 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.23 3fg6 s GLU 404 Cb -0.08 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.75 3fg6 s GLU 404 CO 0.29 0.14 0.00 -1.71 -0.54 0.00 0.00 175.26 173.43 3fg6 n ASN 405 N 2.09 0.00 -1.12 -1.70 2.85 -1.26 -2.94 115.26 113.18 3fg6 n ASN 405 Ca -0.18 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.33 3fg6 n ASN 405 Cb 0.56 0.00 0.07 0.00 1.24 0.00 0.00 39.78 41.65 3fg6 n ASN 405 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 3fg6 n ASN 406 N 7.74 1.15 -0.09 1.20 5.03 -1.26 -5.01 115.26 124.02 3fg6 n ASN 406 Ca 0.00 -2.55 0.00 0.00 0.87 0.00 0.00 54.58 52.90 3fg6 n ASN 406 Cb 0.00 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.40 3fg6 n ASN 406 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg6 n GLY 407 N -0.05 4.71 3.31 7.41 0.00 -1.15 -5.09 105.19 114.32 3fg6 n GLY 407 Ca 0.09 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 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 0.73 2.08 -0.13 1.61 0.52 -1.26 -3.91 118.95 118.60 3fg6 s ARG 408 Ca 0.00 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 3fg6 s ARG 408 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.47 3fg6 s ARG 408 CO 0.00 0.55 -0.16 0.42 0.02 0.00 0.00 175.30 176.14 3fg6 s ILE 409 N -0.61 1.59 0.12 1.52 1.01 -1.03 -5.01 121.20 118.79 3fg6 s ILE 409 Ca 0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 3fg6 s ILE 409 Cb -0.10 -1.46 -0.10 0.00 0.01 0.00 0.00 42.46 40.81 3fg6 s ILE 409 CO -0.01 0.46 1.78 -1.10 0.00 0.00 0.00 174.94 176.07 3fg6 s GLN 410 N 1.14 4.15 0.21 2.79 -0.21 -1.26 -1.07 119.66 125.41 3fg6 s GLN 410 Ca -0.03 2.54 -0.20 0.00 0.02 0.00 0.00 55.36 57.69 3fg6 s GLN 410 Cb -0.14 -3.54 -0.08 0.00 1.00 0.00 0.00 33.01 30.24 3fg6 s GLN 410 CO -0.05 -0.81 0.73 0.54 -2.12 0.00 0.00 175.29 173.58 3fg6 s VAL 411 N 2.56 4.55 0.10 1.09 0.11 -0.82 -4.84 120.40 123.15 3fg6 s VAL 411 Ca 0.79 1.33 -0.35 0.00 -2.93 0.00 0.00 61.98 60.81 3fg6 s VAL 411 Cb -0.45 -3.89 -0.15 0.00 -1.53 0.00 0.00 36.38 30.36 3fg6 s VAL 411 CO 0.35 0.25 1.48 -0.67 -3.33 0.00 0.00 175.10 173.18 3fg6 n ASP 412 N 0.83 2.41 -0.27 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 0.51 -1.31 0.16 0.00 2.34 0.00 0.00 41.12 42.83 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 5.43 0.64 0.00 -0.67 5.75 -1.97 0.36 115.11 124.65 3fg6 h GLN 413 Ca -0.46 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 57.97 3fg6 h GLN 413 Cb 1.29 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 3fg6 h GLN 413 CO 0.84 0.42 -0.15 -0.91 -2.65 0.00 0.00 178.83 176.38 3fg6 h ASN 414 N 0.66 0.00 -0.35 -0.69 4.21 -2.05 -3.09 115.58 114.27 3fg6 h ASN 414 Ca 0.39 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.90 3fg6 h ASN 414 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 3fg6 h ASN 414 CO -0.28 0.15 0.00 -1.20 -1.29 0.00 0.00 177.43 174.81 3fg6 n SER 415 N -3.87 3.12 -4.65 5.81 7.64 0.11 -4.90 113.62 116.87 3fg6 n SER 415 Ca -0.02 -2.33 -0.42 0.00 1.01 0.00 0.00 58.87 57.11 3fg6 n SER 415 Cb 0.25 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.79 1.82 0.00 1.43 4.12 -1.17 -1.18 117.35 120.58 3fg6 s TYR 416 Ca 0.29 0.11 0.00 0.00 0.02 0.00 0.00 57.07 57.50 3fg6 s TYR 416 Cb 0.20 -3.99 0.00 0.00 -1.52 0.00 0.00 41.96 36.65 3fg6 s TYR 416 CO 0.12 -4.10 0.00 0.41 0.02 0.00 0.00 175.55 172.00 3fg6 n GLY 417 N 4.34 2.26 3.54 0.71 0.00 -1.26 -4.97 105.19 109.81 3fg6 n GLY 417 Ca 0.18 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 3.44 0.10 1.61 2.02 -0.33 -0.32 118.70 124.58 3fg6 s GLU 418 Ca 0.00 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 54.82 3fg6 s GLU 418 Cb 0.00 -3.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 3fg6 s GLU 418 CO 0.00 -0.82 -0.25 -0.06 0.02 0.00 0.00 175.26 174.15 3fg6 s PHE 419 N 2.59 2.16 -0.03 1.61 0.40 0.29 -5.00 117.98 120.01 3fg6 s PHE 419 Ca 0.20 -0.39 -0.18 0.00 -0.60 0.00 0.00 56.93 55.96 3fg6 s PHE 419 Cb -0.15 -1.21 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 3fg6 s PHE 419 CO 0.16 0.24 0.51 0.71 0.70 0.00 0.00 175.22 177.54 3fg6 s TYR 420 N -0.99 3.66 0.50 0.36 2.02 -1.26 -0.77 117.35 120.86 3fg6 s TYR 420 Ca 0.11 1.07 0.15 0.00 -0.37 0.00 0.00 57.07 58.03 3fg6 s TYR 420 Cb -0.10 -2.50 1.18 0.00 -0.40 0.00 0.00 41.96 40.14 3fg6 s TYR 420 CO 0.04 0.40 2.11 0.78 -1.57 0.00 0.00 175.55 177.31 3fg6 h GLY 421 N 5.60 0.06 -2.31 0.71 0.00 -1.90 -2.75 103.07 102.48 3fg6 h GLY 421 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3fg6 h GLY 421 CO 0.69 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.86 3fg6 n GLY 422 N -1.44 2.05 3.27 4.60 0.00 -1.26 -1.78 105.19 110.62 3fg6 n GLY 422 Ca -0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.61 1.83 0.04 1.61 1.01 -1.04 -4.06 116.67 115.44 3fg6 s ASP 423 Ca 0.32 -1.06 0.05 0.00 0.71 0.00 0.00 52.55 52.58 3fg6 s ASP 423 Cb 0.23 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 44.11 3fg6 s ASP 423 CO 0.13 -0.37 -0.12 0.00 0.21 0.00 0.00 175.17 175.02 3fg6 s TYR 425 N -1.01 1.42 -0.32 0.00 1.51 0.13 -0.54 117.35 118.56 3fg6 s TYR 425 Ca 0.17 -0.38 -0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3fg6 s TYR 425 Cb -0.11 -0.83 0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3fg6 s TYR 425 CO 0.08 0.07 0.09 0.42 -1.11 0.00 0.00 175.55 175.10 3fg6 s ILE 426 N -0.93 3.84 -0.28 2.71 1.01 0.65 -0.35 121.20 127.84 3fg6 s ILE 426 Ca 0.03 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.66 3fg6 s ILE 426 Cb -0.09 -3.08 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3fg6 s ILE 426 CO 0.02 -0.05 0.14 -0.63 0.00 0.00 0.00 174.94 174.41 3fg6 s ILE 427 N 1.44 4.76 -0.26 2.92 1.01 0.10 -1.22 121.20 129.96 3fg6 s ILE 427 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3fg6 s ILE 427 Cb -0.18 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3fg6 s ILE 427 CO 0.02 0.24 0.10 -0.22 0.00 0.00 0.00 174.94 175.08 3fg6 s LEU 428 N 1.67 3.61 -0.25 2.97 2.96 0.70 -0.46 118.68 129.88 3fg6 s LEU 428 Ca 0.06 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3fg6 s LEU 428 Cb -0.16 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 3fg6 s LEU 428 CO 0.07 -0.06 0.03 -0.47 -1.32 0.00 0.00 176.35 174.60 3fg6 s TYR 429 N 1.63 3.05 -0.27 5.38 5.04 0.47 -1.33 117.35 131.33 3fg6 s TYR 429 Ca 0.06 -0.72 -0.04 0.00 -2.44 0.00 0.00 57.07 53.94 3fg6 s TYR 429 Cb -0.16 -2.20 0.02 0.00 0.35 0.00 0.00 41.96 39.98 3fg6 s TYR 429 CO 0.05 -0.47 -0.00 0.95 -1.34 0.00 0.00 175.55 174.74 3fg6 s THR 430 N 1.54 3.31 0.04 4.34 -4.23 -0.65 -0.75 115.64 119.24 3fg6 s THR 430 Ca 0.05 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.70 3fg6 s THR 430 Cb -0.15 -2.70 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 3fg6 s THR 430 CO 0.01 0.14 -0.12 -0.72 -0.54 0.00 0.00 174.62 173.39 3fg6 s TYR 431 N 1.39 1.05 0.28 3.99 -0.85 -0.89 -2.35 117.35 119.97 3fg6 s TYR 431 Ca 0.01 -0.37 0.36 0.00 -0.52 0.00 0.00 57.07 56.54 3fg6 s TYR 431 Cb -0.17 -0.62 1.87 0.00 0.38 0.00 0.00 41.96 43.43 3fg6 s TYR 431 CO -0.02 0.01 2.08 -1.35 -1.52 0.00 0.00 175.55 174.76 3fg6 h PRO 432 N 4.86 0.00 -0.01 -3.49 0.11 -2.03 0.32 132.00 131.77 3fg6 h PRO 432 Ca -0.37 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 3fg6 h PRO 432 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3fg6 h PRO 432 CO 0.43 0.00 -0.55 0.00 -0.21 0.00 0.00 178.00 177.67 3fg6 h ARG 433 N 0.00 0.02 0.00 1.05 3.08 -2.02 -3.49 114.38 113.02 3fg6 h ARG 433 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3fg6 h ARG 433 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3fg6 h ARG 433 CO 0.00 0.56 0.00 0.41 -1.07 0.00 0.00 179.97 179.87 3fg6 n GLY 434 N 0.05 -0.57 3.29 0.04 0.00 0.11 -5.16 105.19 102.96 3fg6 n GLY 434 Ca -0.01 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.51 1.59 -0.09 1.61 -1.52 -1.26 -2.10 119.66 117.39 3fg6 s GLN 435 Ca 0.00 -1.00 0.02 0.00 -1.95 0.00 0.00 55.36 52.43 3fg6 s GLN 435 Cb 0.00 -1.72 0.01 0.00 -0.22 0.00 0.00 33.01 31.08 3fg6 s GLN 435 CO 0.00 0.44 -0.14 0.42 -0.25 0.00 0.00 175.29 175.76 3fg6 s ILE 436 N -0.78 1.36 -0.32 1.08 1.01 0.07 -1.52 121.20 122.09 3fg6 s ILE 436 Ca 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3fg6 s ILE 436 Cb -0.09 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.16 3fg6 s ILE 436 CO 0.02 0.41 0.11 -0.63 0.00 0.00 0.00 174.94 174.85 3fg6 s ILE 437 N 0.85 4.00 -0.24 2.92 1.01 0.90 -0.39 121.20 130.24 3fg6 s ILE 437 Ca -0.10 -0.87 -0.17 0.00 0.00 0.00 0.00 60.65 59.51 3fg6 s ILE 437 Cb -0.15 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 3fg6 s ILE 437 CO 0.01 -0.06 0.48 -0.31 0.00 0.00 0.00 174.94 175.07 3fg6 s TYR 438 N 1.48 3.30 -0.61 3.97 2.02 0.39 -0.53 117.35 127.35 3fg6 s TYR 438 Ca 0.01 0.63 -0.16 0.00 -0.37 0.00 0.00 57.07 57.18 3fg6 s TYR 438 Cb -0.18 -2.67 0.15 0.00 -0.40 0.00 0.00 41.96 38.86 3fg6 s TYR 438 CO 0.03 -0.21 0.58 0.99 -1.57 0.00 0.00 175.55 175.37 3fg6 s THR 439 N 2.04 5.29 -0.28 -0.71 2.01 -0.28 0.03 115.64 123.74 3fg6 s THR 439 Ca 0.21 -1.72 -0.26 0.00 0.31 0.00 0.00 61.69 60.23 3fg6 s THR 439 Cb -0.15 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.98 3fg6 s THR 439 CO 0.09 -0.92 0.92 0.86 -0.69 0.00 0.00 174.62 174.88 3fg6 s TRP 440 N 1.30 3.24 -0.23 4.92 -0.00 0.52 -0.58 118.94 128.12 3fg6 s TRP 440 Ca 0.07 1.11 -0.04 0.00 -0.00 0.00 0.00 56.10 57.24 3fg6 s TRP 440 Cb -0.25 -3.32 0.00 0.00 -0.00 0.00 0.00 33.47 29.90 3fg6 s TRP 440 CO 0.00 -0.57 -0.04 -0.65 -0.00 0.00 0.00 176.95 175.69 3fg6 s GLN 441 N 3.16 3.24 0.32 5.86 -0.21 0.91 0.23 119.66 133.17 3fg6 s GLN 441 Ca 0.39 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.76 3fg6 s GLN 441 Cb -0.14 -3.02 -0.10 0.00 1.00 0.00 0.00 33.01 30.75 3fg6 s GLN 441 CO 0.11 -0.26 1.24 0.20 -2.12 0.00 0.00 175.29 174.46 3fg6 s GLY 442 N 1.45 3.02 0.64 3.09 0.00 -0.50 -1.21 107.32 113.80 3fg6 s GLY 442 Ca 0.04 1.15 0.33 0.00 0.00 0.00 0.00 44.72 46.25 3fg6 s GLY 442 CO -0.03 1.78 2.09 0.00 0.00 0.00 0.00 173.10 176.93 3fg6 h ALA 443 N 3.49 1.44 -0.02 3.20 0.00 -1.87 -1.01 119.26 124.50 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg6 h ALA 443 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.66 -0.26 -0.14 0.09 0.00 0.00 0.00 179.25 179.59 3fg6 n ASN 444 N -3.26 2.04 -4.69 0.00 3.02 -0.73 -5.02 115.26 106.62 3fg6 n ASN 444 Ca -0.01 -1.52 -0.43 0.00 -0.03 0.00 0.00 54.58 52.60 3fg6 n ASN 444 Cb 0.31 0.20 -0.01 0.00 -0.61 0.00 0.00 39.78 39.67 3fg6 n ASN 444 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg6 n ALA 445 N 0.47 1.26 -1.75 5.41 0.00 -0.38 -4.64 120.51 120.88 3fg6 n ALA 445 Ca 0.08 0.37 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 3fg6 n ALA 445 Cb 0.38 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.56 3fg6 n ALA 445 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg6 s THR 446 N -0.92 3.46 0.61 0.00 -4.23 -1.26 -4.88 115.64 108.43 3fg6 s THR 446 Ca 0.57 0.87 0.33 0.00 -1.18 0.00 0.00 61.69 62.28 3fg6 s THR 446 Cb -0.58 -3.34 0.37 0.00 1.34 0.00 0.00 72.50 70.29 3fg6 s THR 446 CO 0.60 -0.24 2.20 0.03 -0.54 0.00 0.00 174.62 176.68 3fg6 h ARG 447 N 1.17 0.00 -0.59 3.99 3.08 -1.99 0.10 114.38 120.14 3fg6 h ARG 447 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.55 3fg6 h ARG 447 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 3fg6 h ARG 447 CO 0.57 0.00 0.34 0.22 -1.07 0.00 0.00 179.97 180.03 3fg6 h ASP 448 N 0.00 0.73 -0.20 7.04 3.58 -2.00 -2.31 116.42 123.26 3fg6 h ASP 448 Ca 0.03 -0.08 -0.16 0.00 0.42 0.00 0.00 57.03 57.24 3fg6 h ASP 448 Cb 0.23 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3fg6 h ASP 448 CO -0.00 0.60 -0.44 -0.33 -2.88 0.00 0.00 179.24 176.19 3fg6 h GLU 449 N 0.80 0.76 -0.61 0.28 5.08 -1.18 -2.49 114.58 117.21 3fg6 h GLU 449 Ca 0.21 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3fg6 h GLU 449 Cb 0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3fg6 h GLU 449 CO -0.04 1.04 0.40 -0.07 -1.00 0.00 0.00 179.01 179.35 3fg6 h LEU 450 N 0.61 0.71 -0.08 1.33 3.38 -1.28 0.18 115.31 120.15 3fg6 h LEU 450 Ca 0.04 -0.02 -0.23 0.00 0.09 0.00 0.00 57.88 57.76 3fg6 h LEU 450 Cb 1.00 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.59 3fg6 h LEU 450 CO 0.10 0.52 -0.85 0.74 0.09 0.00 0.00 178.44 179.03 3fg6 h THR 451 N 0.83 1.29 -0.53 0.22 2.02 -1.34 -2.80 112.91 112.60 3fg6 h THR 451 Ca 0.22 -2.07 -0.10 0.00 0.77 0.00 0.00 66.41 65.24 3fg6 h THR 451 Cb -0.09 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3fg6 h THR 451 CO -0.05 0.64 -0.05 0.74 0.37 0.00 0.00 175.52 177.18 3fg6 h THR 452 N 0.41 1.27 -0.50 3.16 2.02 -0.98 -0.68 112.91 117.60 3fg6 h THR 452 Ca -0.08 -1.17 -0.00 0.00 0.77 0.00 0.00 66.41 65.92 3fg6 h THR 452 Cb 1.49 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3fg6 h THR 452 CO 0.17 0.41 0.31 0.77 0.37 0.00 0.00 175.52 177.55 3fg6 h SER 453 N 0.84 0.60 -0.64 4.18 4.64 -0.73 0.95 113.55 123.39 3fg6 h SER 453 Ca 0.14 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3fg6 h SER 453 Cb 0.59 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.51 3fg6 h SER 453 CO 0.04 0.47 0.12 0.00 -0.87 0.00 0.00 176.83 176.59 3fg6 h ALA 454 N 1.15 0.85 -0.65 5.18 0.00 -1.34 -1.91 119.26 122.54 3fg6 h ALA 454 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3fg6 h ALA 454 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3fg6 h ALA 454 CO -0.03 0.59 0.31 0.35 0.00 0.00 0.00 179.25 180.46 3fg6 h PHE 455 N 0.96 0.91 0.01 0.00 3.57 -0.73 -2.71 116.94 118.95 3fg6 h PHE 455 Ca 0.20 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.46 3fg6 h PHE 455 Cb 0.41 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3fg6 h PHE 455 CO 0.03 0.67 -0.96 -0.07 -2.23 0.00 0.00 178.31 175.74 3fg6 h LEU 456 N 0.91 0.03 -0.75 0.59 3.38 -0.51 -1.82 115.31 117.14 3fg6 h LEU 456 Ca 0.22 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 3fg6 h LEU 456 Cb 0.10 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3fg6 h LEU 456 CO -0.03 0.97 -0.61 0.71 0.09 0.00 0.00 178.44 179.58 3fg6 h THR 457 N 0.01 1.43 -0.19 0.22 1.35 -1.32 0.64 112.91 115.05 3fg6 h THR 457 Ca -0.02 -2.06 -0.02 0.00 -0.55 0.00 0.00 66.41 63.76 3fg6 h THR 457 Cb 1.69 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 70.20 3fg6 h THR 457 CO 0.13 0.59 0.05 0.58 -0.25 0.00 0.00 175.52 176.62 3fg6 h VAL 458 N 0.04 1.20 -0.77 6.82 2.07 -1.41 0.79 116.25 124.99 3fg6 h VAL 458 Ca -0.01 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.94 3fg6 h VAL 458 Cb 1.08 1.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.05 3fg6 h VAL 458 CO 0.08 0.20 0.47 1.56 0.02 0.00 0.00 177.57 179.90 3fg6 h GLN 459 N 0.13 0.84 -0.17 1.57 7.50 -1.09 -0.93 115.11 122.96 3fg6 h GLN 459 Ca 0.06 -0.05 -0.05 0.00 0.50 0.00 0.00 58.65 59.12 3fg6 h GLN 459 Cb 0.25 -0.19 -0.00 0.00 0.05 0.00 0.00 27.48 27.59 3fg6 h GLN 459 CO -0.00 0.55 -0.07 1.25 -1.50 0.00 0.00 178.83 179.06 3fg6 h LEU 460 N 0.86 0.35 -0.86 1.46 5.85 -0.71 -2.71 115.31 119.55 3fg6 h LEU 460 Ca 0.33 -0.40 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3fg6 h LEU 460 Cb 0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3fg6 h LEU 460 CO -0.16 0.68 0.52 -0.78 -0.34 0.00 0.00 178.44 178.35 3fg6 h ASP 461 N 0.03 1.03 0.25 1.25 -0.00 -0.63 -2.39 116.42 115.96 3fg6 h ASP 461 Ca 0.04 -0.06 -0.07 0.00 -0.00 0.00 0.00 57.03 56.93 3fg6 h ASP 461 Cb 0.54 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 3fg6 h ASP 461 CO 0.02 0.79 -0.30 0.03 -0.00 0.00 0.00 179.24 179.78 3fg6 h ARG 462 N 1.18 0.08 0.00 0.28 3.08 -1.16 0.25 114.38 118.08 3fg6 h ARG 462 Ca 0.31 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3fg6 h ARG 462 Cb -0.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3fg6 h ARG 462 CO -0.06 0.38 -0.03 -1.13 -1.07 0.00 0.00 179.97 178.06 3fg6 n SER 463 N -4.16 0.75 -0.43 7.04 3.41 -0.94 -2.93 113.62 116.37 3fg6 n SER 463 Ca -0.02 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 3fg6 n SER 463 Cb 0.37 -0.73 0.17 0.00 -0.26 0.00 0.00 64.21 63.76 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 -2.20 1.68 0.00 1.04 4.77 -0.92 -4.95 117.00 116.43 3fg6 n LEU 464 Ca 0.06 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3fg6 n LEU 464 Cb 0.42 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fg6 n LEU 464 CO 0.30 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3fg6 n GLY 465 N 1.38 1.08 1.33 -0.72 0.00 -1.03 -4.49 105.19 102.74 3fg6 n GLY 465 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3fg6 n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 466 N -0.56 0.62 0.04 -0.02 0.00 0.82 -4.94 105.19 101.14 3fg6 n GLY 466 Ca 0.00 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.67 0.23 -2.44 1.61 -0.06 -1.26 -4.95 117.38 107.84 3fg6 n GLN 467 Ca 0.00 0.04 -0.40 0.00 -2.00 0.00 0.00 57.00 54.64 3fg6 n GLN 467 Cb 0.00 -1.62 -0.04 0.00 -4.06 0.00 0.00 30.24 24.53 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 -3.14 3.35 0.18 1.69 0.00 -1.26 -4.67 121.76 117.90 3fg6 s ALA 468 Ca 0.06 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.63 3fg6 s ALA 468 Cb 0.15 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3fg6 s ALA 468 CO 0.74 -0.24 0.97 0.08 0.00 0.00 0.00 175.76 177.31 3fg6 s VAL 469 N -1.25 4.24 -0.16 0.00 1.01 -0.57 -4.92 120.40 118.74 3fg6 s VAL 469 Ca 0.48 2.03 -0.00 0.00 0.00 0.00 0.00 61.98 64.48 3fg6 s VAL 469 Cb -0.31 -4.29 -0.00 0.00 0.00 0.00 0.00 36.38 31.77 3fg6 s VAL 469 CO 0.40 0.39 -0.14 -1.10 0.00 0.00 0.00 175.10 174.65 3fg6 s GLN 470 N -0.57 3.24 -0.16 2.72 -0.21 -1.26 -0.07 119.66 123.35 3fg6 s GLN 470 Ca 0.45 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3fg6 s GLN 470 Cb -0.25 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.12 3fg6 s GLN 470 CO 0.31 -0.01 -0.10 0.42 -2.12 0.00 0.00 175.29 173.80 3fg6 s ILE 471 N 0.88 1.42 -0.47 1.08 1.01 0.31 -4.98 121.20 120.46 3fg6 s ILE 471 Ca -0.04 -0.70 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 3fg6 s ILE 471 Cb -0.15 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.90 3fg6 s ILE 471 CO -0.01 0.28 1.04 -0.60 0.00 0.00 0.00 174.94 175.66 3fg6 s ARG 472 N 1.52 3.65 -0.33 2.79 3.52 -1.26 -1.13 118.95 127.71 3fg6 s ARG 472 Ca 0.02 0.40 -0.09 0.00 -0.13 0.00 0.00 55.73 55.93 3fg6 s ARG 472 Cb -0.14 -3.91 0.01 0.00 -1.56 0.00 0.00 34.95 29.35 3fg6 s ARG 472 CO -0.09 -1.29 0.14 0.08 -0.81 0.00 0.00 175.30 173.33 3fg6 s VAL 473 N 4.11 4.35 0.48 7.11 1.01 0.26 -4.95 120.40 132.78 3fg6 s VAL 473 Ca 0.43 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3fg6 s VAL 473 Cb -0.09 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 3fg6 s VAL 473 CO 0.29 -0.04 1.07 -0.44 0.00 0.00 0.00 175.10 175.98 3fg6 s SER 474 N 1.55 6.25 0.07 3.32 0.01 -1.26 -0.06 113.70 123.57 3fg6 s SER 474 Ca 0.03 2.03 -0.35 0.00 1.31 0.00 0.00 55.95 58.97 3fg6 s SER 474 Cb -0.18 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.33 3fg6 s SER 474 CO 0.05 -0.85 1.57 1.67 0.41 0.00 0.00 173.24 176.09 3fg6 n GLN 475 N -0.86 1.80 -0.83 12.44 7.27 -0.35 -1.66 117.38 135.19 3fg6 n GLN 475 Ca 0.09 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.81 3fg6 n GLN 475 Cb 0.51 -2.39 0.00 0.00 2.41 0.00 0.00 30.24 30.77 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 3.37 0.83 1.13 1.69 0.00 -1.26 -4.87 105.19 106.07 3fg6 n GLY 476 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.23 1.88 -1.98 1.61 4.76 -0.66 -4.79 118.16 116.75 3fg6 n LYS 477 Ca 0.00 -3.36 -0.42 0.00 -2.87 0.00 0.00 58.31 51.65 3fg6 n LYS 477 Cb 0.00 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 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 -2.97 4.21 0.91 1.97 8.01 -1.26 -4.67 118.70 124.92 3fg6 s GLU 478 Ca 0.40 2.27 -0.12 0.00 0.01 0.00 0.00 54.97 57.52 3fg6 s GLU 478 Cb 0.38 -3.56 0.07 0.00 -4.31 0.00 0.00 34.13 26.70 3fg6 s GLU 478 CO -0.05 -0.69 0.71 -2.30 0.01 0.00 0.00 175.26 172.93 3fg6 n PRO 479 N 5.44 -0.26 -0.22 0.39 -0.02 -1.26 -4.87 135.00 134.20 3fg6 n PRO 479 Ca 0.15 -0.02 0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3fg6 n PRO 479 Cb 0.41 -2.06 0.14 0.00 -0.02 0.00 0.00 33.50 31.97 3fg6 n PRO 479 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3fg6 h VAL 480 N -1.52 0.68 -0.53 -1.45 -1.51 -1.98 -2.85 116.25 107.09 3fg6 h VAL 480 Ca -0.44 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 64.89 3fg6 h VAL 480 Cb 1.28 0.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 3fg6 h VAL 480 CO 0.38 0.07 0.26 -0.74 -1.23 0.00 0.00 177.57 176.31 3fg6 h HIS 481 N 0.38 0.73 -0.52 5.19 -0.00 -2.01 -1.73 115.15 117.19 3fg6 h HIS 481 Ca 0.35 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.70 3fg6 h HIS 481 Cb 0.50 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.65 3fg6 h HIS 481 CO -0.19 0.54 0.29 1.25 -0.00 0.00 0.00 177.93 179.82 3fg6 h LEU 482 N 0.75 0.65 -0.67 0.26 5.85 -1.86 -3.02 115.31 117.26 3fg6 h LEU 482 Ca 0.19 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3fg6 h LEU 482 Cb 0.07 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3fg6 h LEU 482 CO -0.03 0.55 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 3fg6 n LEU 483 N -4.64 0.37 0.08 2.25 4.77 -0.69 -1.63 117.00 117.51 3fg6 n LEU 483 Ca 0.02 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 3fg6 n LEU 483 Cb 0.08 -0.63 0.33 0.00 -2.33 0.00 0.00 43.42 40.86 3fg6 n LEU 483 CO 0.36 -0.62 0.68 -1.54 -1.33 0.00 0.00 177.39 174.94 3fg6 n SER 484 N -1.96 0.71 0.16 -1.43 3.41 -1.00 -3.71 113.62 109.81 3fg6 n SER 484 Ca 0.01 0.37 0.10 0.00 -0.26 0.00 0.00 58.87 59.08 3fg6 n SER 484 Cb 0.11 -0.38 0.08 0.00 -0.26 0.00 0.00 64.21 63.75 3fg6 n SER 484 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fg6 h LEU 485 N 0.00 0.00 -6.64 1.04 4.07 -1.41 -3.27 115.31 109.09 3fg6 h LEU 485 Ca 0.00 0.00 -0.80 0.00 0.08 0.00 0.00 57.88 57.16 3fg6 h LEU 485 Cb 0.72 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.21 3fg6 h LEU 485 CO 0.00 0.11 1.14 0.49 -1.08 0.00 0.00 178.44 179.10 3fg6 n PHE 486 N -2.97 2.45 -2.03 1.13 3.01 -1.24 -5.02 117.46 112.80 3fg6 n PHE 486 Ca 0.01 -2.61 -0.42 0.00 1.01 0.00 0.00 57.45 55.44 3fg6 n PHE 486 Cb 0.59 -1.39 -0.03 0.00 -0.01 0.00 0.00 39.48 38.64 3fg6 n PHE 486 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 3fg6 s LYS 487 N -2.45 4.27 0.00 -1.08 -2.85 -1.24 -3.20 119.74 113.19 3fg6 s LYS 487 Ca 0.35 2.27 0.00 0.00 -1.00 0.00 0.00 55.97 57.59 3fg6 s LYS 487 Cb 0.09 -3.16 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 3fg6 s LYS 487 CO 0.04 -0.48 0.00 -0.25 0.10 0.00 0.00 175.35 174.76 3fg6 n ASP 488 N 3.22 -0.25 -4.18 0.03 9.92 -1.26 -4.94 116.55 119.08 3fg6 n ASP 488 Ca 0.10 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.14 3fg6 n ASP 488 Cb 0.40 -1.90 -0.13 0.00 -0.64 0.00 0.00 41.12 38.84 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 -0.78 1.05 0.46 -1.24 -2.85 -1.19 -5.14 119.74 110.04 3fg6 s LYS 489 Ca 0.00 -0.85 -0.21 0.00 -1.00 0.00 0.00 55.97 53.91 3fg6 s LYS 489 Cb 0.00 -1.11 -0.09 0.00 -2.06 0.00 0.00 37.83 34.57 3fg6 s LYS 489 CO 0.00 0.27 1.03 -1.25 0.10 0.00 0.00 175.35 175.50 3fg6 s PRO 490 N -1.25 3.95 0.15 1.78 0.04 -1.26 -4.88 135.00 133.52 3fg6 s PRO 490 Ca 0.03 1.36 -0.31 0.00 0.04 0.00 0.00 61.00 62.12 3fg6 s PRO 490 Cb -0.08 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 3fg6 s PRO 490 CO 0.02 -0.30 1.44 -1.17 0.04 0.00 0.00 177.00 177.02 3fg6 s LEU 491 N -3.24 4.38 -0.19 -3.56 2.96 -0.87 -4.86 118.68 113.30 3fg6 s LEU 491 Ca 0.64 2.45 0.01 0.00 -0.22 0.00 0.00 54.13 57.01 3fg6 s LEU 491 Cb -0.17 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.96 3fg6 s LEU 491 CO 0.21 -0.69 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.74 3fg6 s ILE 492 N 0.93 2.00 -0.24 6.68 1.01 0.57 -0.45 121.20 131.70 3fg6 s ILE 492 Ca 0.65 -1.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3fg6 s ILE 492 Cb -0.39 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3fg6 s ILE 492 CO 0.32 0.42 -0.08 -0.63 0.00 0.00 0.00 174.94 174.98 3fg6 s ILE 493 N 1.29 2.80 0.57 2.92 1.01 0.43 -0.54 121.20 129.67 3fg6 s ILE 493 Ca 0.02 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.72 3fg6 s ILE 493 Cb -0.14 -2.40 0.07 0.00 0.01 0.00 0.00 42.46 40.00 3fg6 s ILE 493 CO -0.11 0.24 0.78 -0.31 0.00 0.00 0.00 174.94 175.54 3fg6 s TYR 494 N 1.32 2.13 0.27 3.97 1.51 0.05 -0.56 117.35 126.05 3fg6 s TYR 494 Ca 0.01 -0.37 -0.03 0.00 -1.01 0.00 0.00 57.07 55.67 3fg6 s TYR 494 Cb -0.16 -2.57 0.36 0.00 -0.11 0.00 0.00 41.96 39.48 3fg6 s TYR 494 CO -0.05 -1.04 1.85 -1.00 -1.11 0.00 0.00 175.55 174.20 3fg6 h PRO 509 N 0.09 0.98 -5.54 -1.71 0.13 -1.98 -3.38 132.00 120.59 3fg6 h PRO 509 Ca -0.37 -0.15 -0.60 0.00 -0.87 0.00 0.00 66.00 64.01 3fg6 h PRO 509 Cb 1.28 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.15 3fg6 h PRO 509 CO 0.44 0.79 -0.33 0.99 -0.23 0.00 0.00 178.00 179.67 3fg6 s THR 510 N -5.47 5.30 0.01 1.56 2.01 -1.26 -3.67 115.64 114.11 3fg6 s THR 510 Ca -0.11 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.45 3fg6 s THR 510 Cb 0.16 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.04 3fg6 s THR 510 CO 0.81 0.42 -0.03 -0.13 -0.69 0.00 0.00 174.62 175.00 3fg6 s ARG 511 N 0.27 0.23 -0.09 4.92 0.52 -0.36 -4.94 118.95 119.50 3fg6 s ARG 511 Ca 0.17 -0.26 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3fg6 s ARG 511 Cb -0.13 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.24 3fg6 s ARG 511 CO 0.04 0.02 -0.17 -1.17 0.02 0.00 0.00 175.30 174.05 3fg6 s LEU 512 N -0.51 1.82 -0.07 2.53 2.96 -1.26 -0.24 118.68 123.91 3fg6 s LEU 512 Ca -0.04 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.49 3fg6 s LEU 512 Cb -0.04 -1.12 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3fg6 s LEU 512 CO -0.00 0.06 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.51 3fg6 s PHE 513 N 0.70 2.52 -0.22 5.38 0.40 -0.22 -0.22 117.98 126.33 3fg6 s PHE 513 Ca -0.12 -0.65 -0.08 0.00 -0.60 0.00 0.00 56.93 55.47 3fg6 s PHE 513 Cb -0.16 -1.63 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 3fg6 s PHE 513 CO 0.03 -0.17 0.10 -1.14 0.70 0.00 0.00 175.22 174.74 3fg6 s GLN 514 N -0.17 3.92 -0.24 0.44 0.74 0.14 -1.41 119.66 123.09 3fg6 s GLN 514 Ca -0.03 -0.35 -0.06 0.00 0.05 0.00 0.00 55.36 54.97 3fg6 s GLN 514 Cb -0.14 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.60 3fg6 s GLN 514 CO 0.04 0.08 0.02 0.08 -0.55 0.00 0.00 175.29 174.95 3fg6 s VAL 515 N 0.94 3.86 -0.01 1.34 1.01 0.90 -0.58 120.40 127.87 3fg6 s VAL 515 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3fg6 s VAL 515 Cb -0.14 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.46 3fg6 s VAL 515 CO 0.03 0.38 -0.03 -0.60 0.00 0.00 0.00 175.10 174.88 3fg6 s ARG 516 N 1.55 0.30 -0.07 2.72 3.52 -0.26 -2.45 118.95 124.26 3fg6 s ARG 516 Ca 0.06 -0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.61 3fg6 s ARG 516 Cb -0.15 -0.34 0.01 0.00 -1.56 0.00 0.00 34.95 32.92 3fg6 s ARG 516 CO 0.00 0.02 -0.13 0.50 -0.81 0.00 0.00 175.30 174.88 3fg6 s ARG 517 N 0.22 1.82 -0.20 5.12 3.52 -1.26 -0.39 118.95 127.78 3fg6 s ARG 517 Ca -0.02 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3fg6 s ARG 517 Cb -0.05 -1.51 0.04 0.00 -1.56 0.00 0.00 34.95 31.88 3fg6 s ARG 517 CO -0.00 0.02 -0.08 0.54 -0.81 0.00 0.00 175.30 174.96 3fg6 s ASN 518 N 0.71 3.34 -0.52 -2.12 2.20 -1.26 -4.99 114.94 112.30 3fg6 s ASN 518 Ca -0.13 -0.88 -0.16 0.00 -0.94 0.00 0.00 52.86 50.74 3fg6 s ASN 518 Cb -0.16 -1.15 0.02 0.00 -2.00 0.00 0.00 41.25 37.96 3fg6 s ASN 518 CO 0.03 -0.17 0.63 0.18 -2.94 0.00 0.00 177.10 174.84 3fg6 n LEU 519 N 4.72 -6.41 0.00 3.54 4.77 -1.26 -4.39 117.00 117.98 3fg6 n LEU 519 Ca -0.14 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3fg6 n LEU 519 Cb 0.46 -2.96 0.00 0.00 -2.33 0.00 0.00 43.42 38.59 3fg6 n LEU 519 CO 0.19 -1.55 0.00 0.00 -1.33 0.00 0.00 177.39 174.70 3fg6 n ALA 520 N -0.70 0.00 -0.79 -1.18 0.00 -1.26 -4.91 120.51 111.67 3fg6 n ALA 520 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3fg6 n ALA 520 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 9.36 0.00 -3.85 0.00 3.41 -1.26 -4.65 113.62 116.63 3fg6 n SER 521 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3fg6 n SER 521 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.13 -0.11 -1.33 2.07 -1.26 -5.03 121.20 115.67 3fg6 s ILE 522 Ca 0.00 -1.15 -0.27 0.00 -1.41 0.00 0.00 60.65 57.81 3fg6 s ILE 522 Cb 0.00 -1.38 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 3fg6 s ILE 522 CO 0.00 -0.59 0.90 -0.89 -1.91 0.00 0.00 174.94 172.45 3fg6 s THR 523 N -3.87 4.87 -0.19 4.00 2.01 -1.26 -4.52 115.64 116.68 3fg6 s THR 523 Ca 0.06 1.81 -0.05 0.00 0.31 0.00 0.00 61.69 63.82 3fg6 s THR 523 Cb 0.04 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 3fg6 s THR 523 CO -0.10 0.07 0.01 -0.13 -0.69 0.00 0.00 174.62 173.78 3fg6 s ARG 524 N 1.75 3.71 -0.21 4.92 0.52 0.47 -2.04 118.95 128.07 3fg6 s ARG 524 Ca 0.44 -0.48 -0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3fg6 s ARG 524 Cb -0.18 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 3fg6 s ARG 524 CO 0.17 0.11 -0.03 0.42 0.02 0.00 0.00 175.30 175.99 3fg6 s ILE 525 N 0.76 3.53 -0.09 1.52 1.01 0.41 -1.10 121.20 127.23 3fg6 s ILE 525 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3fg6 s ILE 525 Cb -0.14 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3fg6 s ILE 525 CO 0.02 0.42 -0.10 -0.69 0.00 0.00 0.00 174.94 174.59 3fg6 s VAL 526 N 1.35 1.13 0.21 2.92 1.01 0.26 -0.43 120.40 126.84 3fg6 s VAL 526 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3fg6 s VAL 526 Cb -0.14 -1.08 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 3fg6 s VAL 526 CO -0.01 0.37 1.40 -0.70 0.00 0.00 0.00 175.10 176.16 3fg6 s GLU 527 N 1.21 4.31 0.33 2.72 2.12 0.27 0.25 118.70 129.92 3fg6 s GLU 527 Ca -0.04 2.20 0.04 0.00 0.36 0.00 0.00 54.97 57.52 3fg6 s GLU 527 Cb -0.14 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.03 3fg6 s GLU 527 CO -0.03 -0.38 0.06 0.14 -0.54 0.00 0.00 175.26 174.51 3fg6 s VAL 528 N 0.29 1.16 0.43 3.70 -7.23 0.70 -4.90 120.40 114.55 3fg6 s VAL 528 Ca 0.60 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.52 3fg6 s VAL 528 Cb -0.40 -2.77 -0.10 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 0.00 175.10 176.90 3fg6 n ASP 529 N -0.72 2.47 -1.89 4.85 8.00 -1.26 -4.21 116.55 123.79 3fg6 n ASP 529 Ca -0.02 1.10 -0.09 0.00 0.71 0.00 0.00 54.79 56.48 3fg6 n ASP 529 Cb 0.67 -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 -0.27 2.78 -4.13 2.53 0.24 -1.26 -4.75 118.33 113.46 3fg6 n VAL 530 Ca 0.07 -1.28 -0.22 0.00 -2.04 0.00 0.00 64.34 60.86 3fg6 n VAL 530 Cb 0.40 -1.89 -0.05 0.00 -1.47 0.00 0.00 33.84 30.83 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 1.99 5.11 0.30 -1.34 1.11 -1.26 -4.66 116.67 117.92 3fg6 s ASP 531 Ca 0.52 -0.46 0.09 0.00 0.18 0.00 0.00 52.55 52.88 3fg6 s ASP 531 Cb 0.25 -1.11 0.47 0.00 1.07 0.00 0.00 42.92 43.60 3fg6 s ASP 531 CO -0.00 -0.09 1.69 0.00 1.18 0.00 0.00 175.17 177.95 3fg6 h ALA 532 N 1.59 1.12 -0.07 5.23 0.00 -1.80 -2.84 119.26 122.49 3fg6 h ALA 532 Ca -0.46 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3fg6 h ALA 532 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.62 0.00 0.27 0.00 0.00 0.00 179.25 180.75 3fg6 n ASN 533 N -3.96 0.37 0.16 0.00 0.23 -1.26 -2.07 115.26 108.72 3fg6 n ASN 533 Ca -0.02 -1.99 0.10 0.00 -0.53 0.00 0.00 54.58 52.15 3fg6 n ASN 533 Cb 0.52 -0.05 0.08 0.00 -2.08 0.00 0.00 39.78 38.25 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 0.40 0.00 -4.26 0.53 0.02 -1.79 -3.39 113.55 105.05 3fg6 h SER 534 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3fg6 h SER 534 Cb 0.09 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.80 3fg6 h SER 534 CO 0.00 0.07 0.28 -0.76 -1.14 0.00 0.00 176.83 175.28 3fg6 s LEU 535 N -5.89 2.98 -0.26 5.07 1.43 -0.88 -4.90 118.68 116.24 3fg6 s LEU 535 Ca 0.03 2.13 -0.08 0.00 -1.03 0.00 0.00 54.13 55.18 3fg6 s LEU 535 Cb 0.07 -4.56 0.11 0.00 0.03 0.00 0.00 46.19 41.85 3fg6 s LEU 535 CO 0.73 -2.67 0.55 0.21 0.23 0.00 0.00 176.35 175.39 3fg6 s ASN 536 N -2.74 -0.75 0.64 2.29 3.84 -1.26 -2.28 114.94 114.68 3fg6 s ASN 536 Ca 0.67 1.30 0.36 0.00 0.21 0.00 0.00 52.86 55.40 3fg6 s ASN 536 Cb -0.22 1.88 2.02 0.00 -0.55 0.00 0.00 41.25 44.38 3fg6 s ASN 536 CO 0.55 -0.23 2.19 0.28 -2.79 0.00 0.00 177.10 177.11 3fg6 h SER 537 N 8.08 0.00 1.27 -4.21 0.02 -1.78 -2.27 113.55 114.66 3fg6 h SER 537 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 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 0.11 0.00 -0.71 -1.13 -1.14 0.00 0.00 176.83 173.97 3fg6 h ASN 538 N 0.00 0.00 -0.98 3.07 -0.73 -1.76 0.65 115.58 115.83 3fg6 h ASN 538 Ca 0.02 -0.01 -0.63 0.00 1.87 0.00 0.00 56.30 57.55 3fg6 h ASN 538 Cb 0.27 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.75 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 -5.56 4.17 0.02 1.15 1.01 -0.85 -3.52 116.67 113.09 3fg6 s ASP 539 Ca 0.02 -1.42 0.01 0.00 0.71 0.00 0.00 52.55 51.86 3fg6 s ASP 539 Cb 0.08 0.07 -0.04 0.00 1.01 0.00 0.00 42.92 44.04 3fg6 s ASP 539 CO 0.75 -0.71 0.07 -0.69 0.21 0.00 0.00 175.17 174.80 3fg6 s VAL 540 N -2.77 4.62 0.06 -1.27 1.01 -1.02 -2.30 120.40 118.73 3fg6 s VAL 540 Ca 0.24 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.77 3fg6 s VAL 540 Cb 0.04 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3fg6 s VAL 540 CO 0.13 0.29 -0.20 -0.36 0.00 0.00 0.00 175.10 174.97 3fg6 s PHE 541 N -1.24 1.69 -0.19 5.22 0.08 -0.21 -0.07 117.98 123.26 3fg6 s PHE 541 Ca 0.24 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.90 3fg6 s PHE 541 Cb -0.12 -0.98 0.01 0.00 -0.57 0.00 0.00 43.02 41.37 3fg6 s PHE 541 CO 0.16 0.12 -0.16 0.08 -0.10 0.00 0.00 175.22 175.32 3fg6 s VAL 542 N -0.95 2.40 -0.43 -0.44 1.01 -0.50 -0.08 120.40 121.41 3fg6 s VAL 542 Ca 0.06 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 3fg6 s VAL 542 Cb -0.09 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.33 3fg6 s VAL 542 CO 0.03 0.50 0.28 -0.22 0.00 0.00 0.00 175.10 175.69 3fg6 s LEU 543 N 1.34 5.26 -0.18 3.92 0.20 0.42 -1.05 118.68 128.58 3fg6 s LEU 543 Ca 0.05 -1.53 -0.23 0.00 0.69 0.00 0.00 54.13 53.11 3fg6 s LEU 543 Cb -0.13 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 3fg6 s LEU 543 CO -0.10 -0.57 0.75 -0.75 -0.29 0.00 0.00 176.35 175.39 3fg6 s LYS 544 N 1.44 4.27 0.38 1.98 2.20 0.66 -1.87 119.74 128.81 3fg6 s LYS 544 Ca 0.03 0.85 -0.00 0.00 -0.36 0.00 0.00 55.97 56.50 3fg6 s LYS 544 Cb -0.23 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 3fg6 s LYS 544 CO 0.02 -0.28 0.60 -0.51 -0.36 0.00 0.00 175.35 174.82 3fg6 s LEU 545 N 2.02 3.90 0.61 5.43 1.43 0.47 -1.22 118.68 131.32 3fg6 s LEU 545 Ca 0.34 0.47 0.37 0.00 -1.03 0.00 0.00 54.13 54.28 3fg6 s LEU 545 Cb -0.16 -3.35 1.96 0.00 0.03 0.00 0.00 46.19 44.67 3fg6 s LEU 545 CO 0.12 -0.40 2.23 -0.65 0.23 0.00 0.00 176.35 177.88 3fg6 h PRO 546 N 0.63 0.00 -0.33 1.29 0.11 -1.85 -2.66 132.00 129.19 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 -3.36 1.60 -3.33 1.05 10.64 -1.26 -4.89 117.38 117.84 3fg6 n GLN 547 Ca -0.02 -0.79 -0.16 0.00 -1.83 0.00 0.00 57.00 54.20 3fg6 n GLN 547 Cb 0.14 -1.26 0.08 0.00 -0.86 0.00 0.00 30.24 28.34 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 0.13 -2.50 -2.94 2.61 3.02 -1.00 -5.04 115.26 109.54 3fg6 n ASN 548 Ca 0.07 -0.56 -0.14 0.00 -0.03 0.00 0.00 54.58 53.93 3fg6 n ASN 548 Cb 0.24 -4.71 -0.03 0.00 -0.61 0.00 0.00 39.78 34.67 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 -2.90 -1.38 0.00 6.41 3.41 -1.25 -3.09 113.62 114.81 3fg6 n SER 549 Ca -0.23 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.54 3fg6 n SER 549 Cb 0.64 2.55 0.00 0.00 -0.26 0.00 0.00 64.21 67.15 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 -0.56 -0.51 3.19 5.00 0.00 -0.52 -0.39 105.19 111.40 3fg6 n GLY 550 Ca 0.00 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.06 1.67 -0.34 1.61 2.02 -0.78 -0.50 117.35 117.96 3fg6 s TYR 551 Ca 0.00 -0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.27 3fg6 s TYR 551 Cb 0.00 -1.07 -0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3fg6 s TYR 551 CO 0.00 -0.02 0.20 0.42 -1.57 0.00 0.00 175.55 174.59 3fg6 s ILE 552 N -0.47 4.87 -0.42 2.71 1.01 -0.20 -0.44 121.20 128.27 3fg6 s ILE 552 Ca 0.07 -0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 3fg6 s ILE 552 Cb -0.07 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.88 3fg6 s ILE 552 CO -0.01 -0.05 0.30 0.86 0.00 0.00 0.00 174.94 176.05 3fg6 s TRP 553 N 1.64 3.25 -0.34 3.97 -0.00 0.89 -1.12 118.94 127.24 3fg6 s TRP 553 Ca 0.05 -0.86 -0.23 0.00 -0.00 0.00 0.00 56.10 55.05 3fg6 s TRP 553 Cb -0.18 -2.76 0.01 0.00 -0.00 0.00 0.00 33.47 30.53 3fg6 s TRP 553 CO 0.08 -0.69 0.77 0.08 -0.00 0.00 0.00 176.95 177.19 3fg6 s VAL 554 N 1.62 4.77 0.86 5.86 1.01 -0.42 -1.05 120.40 133.04 3fg6 s VAL 554 Ca 0.04 0.95 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 3fg6 s VAL 554 Cb -0.21 -4.18 0.11 0.00 0.00 0.00 0.00 36.38 32.10 3fg6 s VAL 554 CO 0.08 -0.36 1.11 -0.83 0.00 0.00 0.00 175.10 175.10 3fg6 s GLY 555 N 1.77 1.67 0.37 4.51 0.00 -0.97 -1.06 107.32 113.61 3fg6 s GLY 555 Ca 0.31 0.38 0.12 0.00 0.00 0.00 0.00 44.72 45.53 3fg6 s GLY 555 CO 0.15 0.78 1.84 0.50 0.00 0.00 0.00 173.10 176.37 3fg6 h LYS 556 N -1.56 0.05 -0.84 2.90 1.57 -1.55 -3.05 116.57 114.10 3fg6 h LYS 556 Ca -0.44 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 3fg6 h LYS 556 Cb 1.26 -0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.19 3fg6 h LYS 556 CO 0.47 0.38 -0.15 0.41 -0.57 0.00 0.00 179.45 179.99 3fg6 n GLY 557 N -0.54 6.17 3.88 3.86 0.00 0.13 -4.69 105.19 114.01 3fg6 n GLY 557 Ca -0.02 -2.50 -0.35 0.00 0.00 0.00 0.00 46.02 43.15 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 -3.68 3.88 0.56 4.61 0.00 -1.15 -3.46 121.76 122.52 3fg6 s ALA 558 Ca 0.56 -0.63 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 3fg6 s ALA 558 Cb 0.45 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3fg6 s ALA 558 CO 0.02 0.65 0.94 -1.54 0.00 0.00 0.00 175.76 175.84 3fg6 s SER 559 N -1.44 6.28 0.32 0.00 1.04 -1.26 -4.93 113.70 113.71 3fg6 s SER 559 Ca 0.22 1.27 0.02 0.00 0.48 0.00 0.00 55.95 57.94 3fg6 s SER 559 Cb -0.13 -2.40 0.55 0.00 0.10 0.00 0.00 66.02 64.14 3fg6 s SER 559 CO 0.11 -0.75 1.90 -0.61 0.98 0.00 0.00 173.24 174.87 3fg6 h GLN 560 N -0.01 0.70 -0.27 4.02 5.75 -2.00 -2.15 115.11 121.16 3fg6 h GLN 560 Ca -0.45 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 57.90 3fg6 h GLN 560 Cb 1.19 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.61 3fg6 h GLN 560 CO 0.62 0.61 0.02 0.93 -2.65 0.00 0.00 178.83 178.36 3fg6 h GLU 561 N 0.69 0.40 -0.12 1.69 3.07 -2.00 -1.58 114.58 116.74 3fg6 h GLU 561 Ca 0.16 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 3fg6 h GLU 561 Cb 0.20 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.04 3fg6 h GLU 561 CO -0.01 0.42 -0.55 0.93 -1.40 0.00 0.00 179.01 178.40 3fg6 h GLU 562 N 0.39 0.35 -0.32 2.33 5.08 -1.76 -1.99 114.58 118.66 3fg6 h GLU 562 Ca 0.09 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3fg6 h GLU 562 Cb 0.24 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3fg6 h GLU 562 CO 0.00 0.81 -0.27 1.49 -1.00 0.00 0.00 179.01 180.04 3fg6 h GLU 563 N 0.27 0.64 -0.63 2.33 4.81 -1.01 -1.87 114.58 119.12 3fg6 h GLU 563 Ca 0.00 -0.27 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 3fg6 h GLU 563 Cb 1.05 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 3fg6 h GLU 563 CO 0.09 0.85 0.17 0.87 -0.73 0.00 0.00 179.01 180.26 3fg6 h LYS 564 N 0.56 1.00 -0.31 1.92 1.57 -1.10 -1.50 116.57 118.72 3fg6 h LYS 564 Ca 0.07 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3fg6 h LYS 564 Cb 0.75 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3fg6 h LYS 564 CO 0.06 0.90 0.17 0.78 -0.57 0.00 0.00 179.45 180.79 3fg6 h GLY 565 N 0.93 0.42 0.16 3.86 0.00 -1.24 -1.58 103.07 105.62 3fg6 h GLY 565 Ca 0.20 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3fg6 h GLY 565 CO -0.00 0.11 -0.33 0.00 0.00 0.00 0.00 176.54 176.33 3fg6 h ALA 566 N 1.14 -0.39 -0.11 3.60 0.00 -1.12 -1.00 119.26 121.38 3fg6 h ALA 566 Ca 0.12 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3fg6 h ALA 566 Cb 0.01 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3fg6 h ALA 566 CO -0.06 -0.81 0.12 0.93 0.00 0.00 0.00 179.25 179.43 3fg6 h GLU 567 N -0.41 0.00 -0.01 0.00 5.08 -1.04 -2.01 114.58 116.19 3fg6 h GLU 567 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3fg6 h GLU 567 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3fg6 h GLU 567 CO -0.35 0.00 -0.14 -0.92 -1.00 0.00 0.00 179.01 176.60 3fg6 h TYR 568 N 0.00 0.17 -0.76 4.33 3.20 -0.18 -3.12 116.97 120.59 3fg6 h TYR 568 Ca 0.05 -0.08 0.03 0.00 3.14 0.00 0.00 58.73 61.87 3fg6 h TYR 568 Cb 0.29 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3fg6 h TYR 568 CO 0.00 0.82 0.48 0.28 -1.64 0.00 0.00 178.16 178.10 3fg6 h VAL 569 N -0.53 1.11 -0.68 1.81 2.07 -0.85 -2.08 116.25 117.10 3fg6 h VAL 569 Ca -0.01 -0.32 0.15 0.00 0.82 0.00 0.00 66.70 67.33 3fg6 h VAL 569 Cb 0.84 0.08 -0.12 0.00 -1.52 0.00 0.00 31.29 30.58 3fg6 h VAL 569 CO 0.03 0.17 -0.00 0.00 0.02 0.00 0.00 177.57 177.79 3fg6 h ALA 570 N 1.32 0.68 0.00 1.67 0.00 -1.45 0.59 119.26 122.07 3fg6 h ALA 570 Ca 0.31 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 3fg6 h ALA 570 Cb 0.02 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3fg6 h ALA 570 CO -0.11 -0.40 -0.50 0.66 0.00 0.00 0.00 179.25 178.89 3fg6 h SER 571 N 0.11 0.00 -0.05 0.00 4.64 -1.33 -0.08 113.55 116.85 3fg6 h SER 571 Ca 0.36 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.50 3fg6 h SER 571 Cb 0.61 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3fg6 h SER 571 CO -0.59 0.50 -0.61 0.58 -0.87 0.00 0.00 176.83 175.84 3fg6 h VAL 572 N 0.00 1.31 -0.00 0.95 2.07 -0.62 -3.08 116.25 116.89 3fg6 h VAL 572 Ca -0.01 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.66 3fg6 h VAL 572 Cb 0.93 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 3fg6 h VAL 572 CO 0.07 0.58 -0.03 0.18 0.02 0.00 0.00 177.57 178.39 3fg6 n LEU 573 N -3.95 0.38 -3.67 2.57 4.77 0.06 -4.94 117.00 112.21 3fg6 n LEU 573 Ca -0.04 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.64 3fg6 n LEU 573 Cb 0.65 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3fg6 n LEU 573 CO 0.49 0.07 -0.08 0.29 -1.33 0.00 0.00 177.39 176.82 3fg6 n LYS 574 N -0.84 -2.43 -4.79 3.23 5.02 -0.76 -4.98 118.16 112.61 3fg6 n LYS 574 Ca 0.19 0.53 -0.32 0.00 -2.02 0.00 0.00 58.31 56.69 3fg6 n LYS 574 Cb 0.22 -4.61 -0.17 0.00 -0.02 0.00 0.00 35.03 30.46 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 0.70 3.20 -0.00 0.00 2.20 -1.18 -4.66 119.74 120.01 3fg6 s LYS 576 Ca -0.10 -0.59 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3fg6 s LYS 576 Cb -0.16 -4.14 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 3fg6 s LYS 576 CO 0.01 -1.64 0.19 0.95 -0.36 0.00 0.00 175.35 174.50 3fg6 s THR 577 N 3.95 5.42 -0.13 3.43 -4.23 -1.26 -1.44 115.64 121.38 3fg6 s THR 577 Ca 0.25 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.62 3fg6 s THR 577 Cb -0.15 -3.55 -0.03 0.00 1.34 0.00 0.00 72.50 70.12 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 3.20 -0.34 4.79 2.96 0.34 -4.93 118.68 122.76 3fg6 s LEU 578 Ca 0.28 -0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.88 3fg6 s LEU 578 Cb -0.13 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.82 3fg6 s LEU 578 CO 0.19 0.23 0.63 -0.60 -1.32 0.00 0.00 176.35 175.48 3fg6 s ARG 579 N -0.01 3.74 0.13 1.98 3.52 -1.26 -1.03 118.95 126.03 3fg6 s ARG 579 Ca 0.00 0.12 0.11 0.00 -0.13 0.00 0.00 55.73 55.83 3fg6 s ARG 579 Cb -0.13 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 3fg6 s ARG 579 CO 0.03 -0.69 -0.25 0.96 -0.81 0.00 0.00 175.30 174.54 3fg6 s ILE 580 N 2.67 2.36 0.10 4.11 -4.36 -0.27 -4.97 121.20 120.85 3fg6 s ILE 580 Ca 0.24 -1.75 0.05 0.00 -0.26 0.00 0.00 60.65 58.94 3fg6 s ILE 580 Cb -0.15 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 3fg6 s ILE 580 CO 0.14 0.07 -0.00 -1.58 0.24 0.00 0.00 174.94 173.80 3fg6 s GLN 581 N -2.14 2.51 0.10 0.37 0.74 -1.26 -1.30 119.66 118.68 3fg6 s GLN 581 Ca 0.15 -0.87 -0.33 0.00 0.05 0.00 0.00 55.36 54.36 3fg6 s GLN 581 Cb -0.10 -2.51 -0.12 0.00 1.10 0.00 0.00 33.01 31.38 3fg6 s GLN 581 CO 0.07 0.53 1.74 -1.91 -0.55 0.00 0.00 175.29 175.17 3fg6 n GLU 582 N 0.50 2.42 0.00 1.67 2.13 -0.23 -0.81 120.64 126.32 3fg6 n GLU 582 Ca -0.11 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.59 3fg6 n GLU 582 Cb 0.52 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.52 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 3.95 3.33 0.78 8.31 0.00 -1.26 -4.86 105.19 115.44 3fg6 n GLY 583 Ca 0.18 0.00 0.04 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 -1.55 1.96 -2.07 1.61 4.71 0.01 -5.04 120.64 120.27 3fg6 n GLU 584 Ca 0.00 -2.99 -0.41 0.00 -0.01 0.00 0.00 57.16 53.74 3fg6 n GLU 584 Cb 0.00 -1.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.68 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 -3.07 4.30 1.07 3.49 8.01 -1.17 -4.52 118.70 126.82 3fg6 s GLU 585 Ca 0.40 2.22 -0.15 0.00 0.01 0.00 0.00 54.97 57.45 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 -0.39 1.11 -1.25 0.01 0.00 0.00 175.26 174.76 3fg6 s PRO 586 N -0.06 -0.11 0.37 0.39 0.04 -1.26 -4.97 135.00 129.38 3fg6 s PRO 586 Ca 0.60 0.23 0.23 0.00 0.04 0.00 0.00 61.00 62.11 3fg6 s PRO 586 Cb -0.40 -1.70 0.37 0.00 0.04 0.00 0.00 34.50 32.81 3fg6 s PRO 586 CO 0.40 -3.04 1.55 1.49 0.04 0.00 0.00 177.00 177.45 3fg6 h GLU 587 N -2.10 0.00 0.00 4.56 4.57 -2.02 -3.22 114.58 116.36 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 0.49 0.00 -0.21 1.49 -1.18 0.00 0.00 179.01 179.60 3fg6 h GLU 588 N 0.00 0.00 -0.63 1.92 4.81 -1.99 -3.02 114.58 115.67 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 0.95 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3fg6 h GLU 588 CO 0.00 0.21 0.40 0.35 -0.73 0.00 0.00 179.01 179.24 3fg6 h PHE 589 N 0.00 0.82 -0.24 0.92 3.04 -1.94 -2.08 116.94 117.46 3fg6 h PHE 589 Ca -0.00 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 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 0.54 -0.48 -1.49 -2.02 0.00 0.00 178.31 174.87 3fg6 h TRP 590 N 0.86 0.79 -0.47 0.41 4.06 -1.70 -2.99 115.95 116.91 3fg6 h TRP 590 Ca 0.23 -0.26 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 3fg6 h TRP 590 Cb -0.05 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 27.93 3fg6 h TRP 590 CO -0.02 1.00 0.21 -0.91 -3.56 0.00 0.00 178.44 175.16 3fg6 h ASN 591 N 0.51 0.59 1.36 -3.49 4.21 -1.38 0.31 115.58 117.69 3fg6 h ASN 591 Ca 0.03 -0.06 -0.07 0.00 1.21 0.00 0.00 56.30 57.41 3fg6 h ASN 591 Cb 1.02 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 3fg6 h ASN 591 CO 0.10 0.52 -0.33 0.28 -1.29 0.00 0.00 177.43 176.71 3fg6 h SER 592 N 0.66 0.00 -0.02 5.81 0.02 -1.30 -2.59 113.55 116.13 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 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3fg6 h SER 592 CO -0.02 0.33 0.00 0.18 -1.14 0.00 0.00 176.83 176.18 3fg6 n LEU 593 N -3.27 1.34 -0.93 5.07 4.77 -1.02 -4.94 117.00 118.01 3fg6 n LEU 593 Ca 0.02 -0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 3fg6 n LEU 593 Cb 0.59 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3fg6 n LEU 593 CO 0.37 0.23 0.03 0.61 -1.33 0.00 0.00 177.39 177.30 3fg6 n GLY 594 N 1.15 0.74 0.00 -0.72 0.00 -0.93 -4.04 105.19 101.39 3fg6 n GLY 594 Ca 0.19 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.10 -4.97 105.19 105.82 3fg6 n GLY 595 Ca 0.00 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -4.02 4.32 0.16 1.61 2.20 -1.26 -4.54 119.74 118.22 3fg6 s LYS 596 Ca 0.00 1.13 0.01 0.00 -0.36 0.00 0.00 55.97 56.75 3fg6 s LYS 596 Cb 0.00 -3.57 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3fg6 s LYS 596 CO 0.00 -0.35 0.01 0.15 -0.36 0.00 0.00 175.35 174.80 3fg6 s LYS 597 N 2.21 1.05 -0.07 4.03 1.02 -1.26 -5.10 119.74 121.61 3fg6 s LYS 597 Ca 0.41 -1.50 -0.34 0.00 0.02 0.00 0.00 55.97 54.56 3fg6 s LYS 597 Cb -0.17 -0.15 -0.12 0.00 -0.52 0.00 0.00 37.83 36.87 3fg6 s LYS 597 CO 0.13 -0.15 1.87 -0.25 -0.92 0.00 0.00 175.35 176.02 3fg6 n ASP 598 N -0.20 3.45 -3.24 2.83 10.43 -1.26 -4.60 116.55 123.95 3fg6 n ASP 598 Ca -0.07 0.98 -0.13 0.00 2.57 0.00 0.00 54.79 58.15 3fg6 n ASP 598 Cb 0.63 -1.38 -0.01 0.00 1.84 0.00 0.00 41.12 42.21 3fg6 n ASP 598 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fg6 n TYR 599 N 6.49 -0.60 -2.25 1.24 0.18 -1.26 -4.34 117.16 116.62 3fg6 n TYR 599 Ca 0.22 -1.06 -0.33 0.00 1.88 0.00 0.00 57.90 58.61 3fg6 n TYR 599 Cb 0.30 -0.18 -0.04 0.00 -0.38 0.00 0.00 39.34 39.03 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 -2.95 2.95 -0.00 -3.48 -0.21 -0.96 -4.85 119.66 110.16 3fg6 s GLN 600 Ca 0.10 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.93 3fg6 s GLN 600 Cb -0.01 -5.13 -0.01 0.00 1.00 0.00 0.00 33.01 28.86 3fg6 s GLN 600 CO 0.06 -2.90 -0.05 -0.08 -2.12 0.00 0.00 175.29 170.20 3fg6 s THR 601 N 8.07 0.40 0.10 -0.19 -1.32 -1.26 -2.78 115.64 118.66 3fg6 s THR 601 Ca 0.60 -0.28 -0.19 0.00 -1.21 0.00 0.00 61.69 60.61 3fg6 s THR 601 Cb -0.04 -0.36 0.04 0.00 -1.51 0.00 0.00 72.50 70.64 3fg6 s THR 601 CO -0.03 0.07 0.46 -0.94 -2.21 0.00 0.00 174.62 171.97 3fg6 s SER 602 N -0.24 -0.35 0.26 8.08 1.04 -1.26 -4.65 113.70 116.58 3fg6 s SER 602 Ca 0.01 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.31 3fg6 s SER 602 Cb -0.03 0.49 0.52 0.00 0.10 0.00 0.00 66.02 67.10 3fg6 s SER 602 CO -0.00 -0.81 1.64 -0.65 0.98 0.00 0.00 173.24 174.40 3fg6 h PRO 603 N 2.52 0.13 0.00 4.02 0.11 -2.01 0.12 132.00 136.89 3fg6 h PRO 603 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3fg6 h PRO 603 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fg6 h PRO 603 CO 0.44 0.09 -0.02 -0.11 -0.21 0.00 0.00 178.00 178.18 3fg6 n LEU 604 N -5.31 0.83 0.05 2.35 7.94 -1.26 -2.97 117.00 118.63 3fg6 n LEU 604 Ca 0.16 0.57 -0.07 0.00 -1.11 0.00 0.00 56.01 55.56 3fg6 n LEU 604 Cb 0.54 -0.31 -0.11 0.00 0.53 0.00 0.00 43.42 44.06 3fg6 n LEU 604 CO 0.05 -0.18 0.06 -0.07 -1.11 0.00 0.00 177.39 176.14 3fg6 h LEU 605 N 0.00 0.00 -0.18 -1.96 3.38 -1.33 -3.28 115.31 111.93 3fg6 h LEU 605 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg6 h LEU 605 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3fg6 h LEU 605 CO 0.00 0.97 0.00 -0.62 0.09 0.00 0.00 178.44 178.88 3fg6 n GLU 606 N -3.29 0.05 -4.62 1.13 1.02 0.20 -2.75 120.64 112.38 3fg6 n GLU 606 Ca -0.02 0.29 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 3fg6 n GLU 606 Cb 0.94 -1.60 -0.12 0.00 -0.02 0.00 0.00 31.44 30.65 3fg6 n GLU 606 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3fg6 s THR 607 N -3.08 3.65 0.00 2.62 -1.32 -1.24 -1.23 115.64 115.04 3fg6 s THR 607 Ca 0.06 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 3fg6 s THR 607 Cb 0.10 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.58 3fg6 s THR 607 CO 0.31 0.58 0.25 1.67 -2.21 0.00 0.00 174.62 175.22 3fg6 n GLN 608 N 2.48 0.00 -1.69 7.08 7.27 -1.23 -4.57 117.38 126.72 3fg6 n GLN 608 Ca -0.18 0.05 -0.17 0.00 0.07 0.00 0.00 57.00 56.78 3fg6 n GLN 608 Cb 0.53 -0.78 -0.07 0.00 2.41 0.00 0.00 30.24 32.33 3fg6 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3fg6 s ALA 609 N -3.07 0.88 -1.05 1.69 0.00 -1.26 -4.85 121.76 114.10 3fg6 s ALA 609 Ca 0.00 -1.08 -0.23 0.00 0.00 0.00 0.00 51.96 50.65 3fg6 s ALA 609 Cb 0.00 -4.59 -0.04 0.00 0.00 0.00 0.00 23.12 18.48 3fg6 s ALA 609 CO 0.00 -5.83 1.87 -1.83 0.00 0.00 0.00 175.76 169.97 3fg6 s GLU 610 N 8.39 2.77 0.55 0.00 4.04 -1.26 -4.77 118.70 128.41 3fg6 s GLU 610 Ca 0.86 -0.84 0.26 0.00 0.04 0.00 0.00 54.97 55.28 3fg6 s GLU 610 Cb -0.10 -5.20 1.45 0.00 0.02 0.00 0.00 34.13 30.30 3fg6 s GLU 610 CO 0.08 -3.37 2.01 0.22 -1.84 0.00 0.00 175.26 172.36 3fg6 h ASP 611 N 10.24 0.00 -3.67 0.83 1.82 -1.98 -3.03 116.42 120.64 3fg6 h ASP 611 Ca 0.18 0.00 -0.63 0.00 -0.39 0.00 0.00 57.03 56.19 3fg6 h ASP 611 Cb 0.97 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 40.57 3fg6 h ASP 611 CO 1.26 0.00 -0.62 -1.00 -1.61 0.00 0.00 179.24 177.28 3fg6 s HIS 612 N -4.89 3.26 0.53 0.28 3.76 -1.26 -5.11 115.29 111.86 3fg6 s HIS 612 Ca -0.05 -3.20 -0.22 0.00 -0.15 0.00 0.00 55.06 51.44 3fg6 s HIS 612 Cb 0.18 -2.68 -0.05 0.00 1.11 0.00 0.00 32.58 31.14 3fg6 s HIS 612 CO 0.67 -0.65 1.37 -1.25 -0.85 0.00 0.00 174.74 174.03 3fg6 s PRO 613 N -0.82 3.24 0.17 8.40 0.04 -1.15 -4.72 135.00 140.16 3fg6 s PRO 613 Ca 0.21 2.26 -0.31 0.00 0.04 0.00 0.00 61.00 63.20 3fg6 s PRO 613 Cb -0.15 -2.33 -0.09 0.00 0.04 0.00 0.00 34.50 31.97 3fg6 s PRO 613 CO -0.09 -1.12 1.45 -1.25 0.04 0.00 0.00 177.00 176.04 3fg6 s PRO 614 N -2.83 4.28 -0.06 0.56 0.04 -1.26 -4.89 135.00 130.85 3fg6 s PRO 614 Ca 0.70 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.99 3fg6 s PRO 614 Cb -0.41 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 30.95 3fg6 s PRO 614 CO 0.49 -0.47 -0.17 1.03 0.04 0.00 0.00 177.00 177.92 3fg6 s ARG 615 N 0.65 1.94 -0.11 4.56 0.52 -0.77 -5.00 118.95 120.75 3fg6 s ARG 615 Ca 0.64 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 55.26 3fg6 s ARG 615 Cb -0.40 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 3fg6 s ARG 615 CO 0.34 0.19 -0.12 -1.17 0.02 0.00 0.00 175.30 174.56 3fg6 s LEU 616 N 0.23 2.82 0.04 2.53 2.96 -1.26 -1.07 118.68 124.92 3fg6 s LEU 616 Ca -0.08 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 53.66 3fg6 s LEU 616 Cb -0.13 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3fg6 s LEU 616 CO 0.03 0.23 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.76 3fg6 s TYR 617 N -0.03 1.93 -0.33 5.38 1.51 0.13 -0.44 117.35 125.50 3fg6 s TYR 617 Ca -0.02 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.54 3fg6 s TYR 617 Cb -0.14 -1.16 -0.01 0.00 -0.11 0.00 0.00 41.96 40.53 3fg6 s TYR 617 CO 0.04 0.09 0.20 0.20 -1.11 0.00 0.00 175.55 174.96 3fg6 s GLY 618 N -1.12 1.92 -0.28 0.71 0.00 0.35 -1.05 107.32 107.86 3fg6 s GLY 618 Ca 0.08 -1.37 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 3fg6 s GLY 618 CO 0.02 0.74 0.09 0.00 0.00 0.00 0.00 173.10 173.94 3fg6 s SER 620 N 1.57 0.34 -0.06 0.00 0.15 -1.04 -1.54 113.70 113.12 3fg6 s SER 620 Ca 0.04 -1.03 0.14 0.00 0.70 0.00 0.00 55.95 55.81 3fg6 s SER 620 Cb -0.16 0.27 0.28 0.00 -1.71 0.00 0.00 66.02 64.69 3fg6 s SER 620 CO 0.04 -0.69 1.13 -0.46 1.20 0.00 0.00 173.24 174.45 3fg6 n ASN 621 N -0.01 1.04 0.29 5.45 2.04 -1.26 -1.25 115.26 121.56 3fg6 n ASN 621 Ca -0.10 -2.53 0.19 0.00 -0.44 0.00 0.00 54.58 51.70 3fg6 n ASN 621 Cb 0.62 -0.33 0.82 0.00 -2.53 0.00 0.00 39.78 38.36 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 0.54 0.00 -0.46 -3.83 2.10 -1.98 -2.41 116.57 110.54 3fg6 h LYS 622 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3fg6 h LYS 622 Cb 1.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 3fg6 h LYS 622 CO 0.04 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.74 3fg6 n THR 623 N -3.08 0.61 0.00 0.07 -2.24 -1.26 -4.96 114.28 103.41 3fg6 n THR 623 Ca -0.00 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3fg6 n THR 623 Cb 0.25 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.28 2.18 3.81 3.38 0.00 -0.91 -4.99 105.19 109.94 3fg6 n GLY 624 Ca 0.17 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 3fg6 n GLY 624 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg6 s ARG 625 N 0.00 3.78 -0.40 1.61 1.81 -1.26 -4.95 118.95 119.53 3fg6 s ARG 625 Ca 0.00 1.19 -0.26 0.00 -1.72 0.00 0.00 55.73 54.94 3fg6 s ARG 625 Cb 0.00 -2.10 0.02 0.00 -0.45 0.00 0.00 34.95 32.42 3fg6 s ARG 625 CO 0.00 -0.43 0.93 0.12 -0.68 0.00 0.00 175.30 175.24 3fg6 s PHE 626 N -2.28 3.02 -0.08 -0.53 5.36 -1.26 -4.43 117.98 117.77 3fg6 s PHE 626 Ca 0.64 0.63 0.05 0.00 -0.96 0.00 0.00 56.93 57.28 3fg6 s PHE 626 Cb -0.14 -3.77 -0.00 0.00 -0.34 0.00 0.00 43.02 38.77 3fg6 s PHE 626 CO 0.26 -0.93 -0.23 0.14 -1.46 0.00 0.00 175.22 173.00 3fg6 s VAL 627 N 3.58 1.97 -0.24 3.12 -7.23 -0.38 -5.00 120.40 116.22 3fg6 s VAL 627 Ca 0.38 -0.99 -0.10 0.00 -1.81 0.00 0.00 61.98 59.46 3fg6 s VAL 627 Cb -0.11 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3fg6 s VAL 627 CO 0.22 0.54 0.14 -0.63 -0.31 0.00 0.00 175.10 175.06 3fg6 s ILE 628 N 0.14 5.14 0.01 -0.62 1.01 -1.26 -2.49 121.20 123.14 3fg6 s ILE 628 Ca -0.12 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3fg6 s ILE 628 Cb -0.16 -3.40 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 3fg6 s ILE 628 CO 0.06 0.34 -0.12 -1.83 0.00 0.00 0.00 174.94 173.39 3fg6 s GLU 629 N 1.17 0.93 0.26 2.79 -1.05 -0.22 -4.96 118.70 117.62 3fg6 s GLU 629 Ca 0.07 -0.56 -0.29 0.00 -0.15 0.00 0.00 54.97 54.03 3fg6 s GLU 629 Cb -0.14 -0.90 -0.09 0.00 -0.44 0.00 0.00 34.13 32.55 3fg6 s GLU 629 CO 0.05 0.24 0.99 -2.00 0.95 0.00 0.00 175.26 175.48 3fg6 s GLU 630 N -0.66 4.77 -0.18 -4.83 2.12 -1.26 0.13 118.70 118.78 3fg6 s GLU 630 Ca 0.03 1.57 -0.29 0.00 0.36 0.00 0.00 54.97 56.63 3fg6 s GLU 630 Cb -0.06 -3.21 -0.00 0.00 0.26 0.00 0.00 34.13 31.12 3fg6 s GLU 630 CO 0.00 0.40 1.12 0.42 -0.54 0.00 0.00 175.26 176.66 3fg6 s ILE 631 N -1.21 4.54 0.32 -3.70 -1.09 0.41 -4.83 121.20 115.64 3fg6 s ILE 631 Ca 0.43 1.85 -0.19 0.00 -2.23 0.00 0.00 60.65 60.51 3fg6 s ILE 631 Cb -0.27 -4.19 -0.09 0.00 -1.58 0.00 0.00 42.46 36.32 3fg6 s ILE 631 CO 0.34 -0.13 0.82 -2.16 -1.23 0.00 0.00 174.94 172.57 3fg6 s PRO 632 N 3.09 4.20 1.94 2.79 0.04 -1.26 -4.70 135.00 141.10 3fg6 s PRO 632 Ca 0.49 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.45 3fg6 s PRO 632 Cb -0.18 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3fg6 s PRO 632 CO 0.11 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.75 3fg6 n GLY 633 N -0.03 -1.47 3.77 0.56 0.00 -1.26 -4.70 105.19 102.06 3fg6 n GLY 633 Ca 0.03 -1.30 -0.41 0.00 0.00 0.00 0.00 46.02 44.34 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 4.19 0.17 1.61 0.41 -1.26 -5.02 118.70 118.80 3fg6 s GLU 634 Ca 0.00 2.45 0.09 0.00 -0.41 0.00 0.00 54.97 57.10 3fg6 s GLU 634 Cb 0.00 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.29 3fg6 s GLU 634 CO 0.00 -0.45 -0.11 -0.59 -0.49 0.00 0.00 175.26 173.62 3fg6 s PHE 635 N -0.87 2.61 0.35 1.61 -0.12 -1.26 -4.87 117.98 115.43 3fg6 s PHE 635 Ca 0.54 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 57.26 3fg6 s PHE 635 Cb -0.44 -1.29 -0.03 0.00 -0.63 0.00 0.00 43.02 40.63 3fg6 s PHE 635 CO 0.57 0.50 0.28 0.95 -0.05 0.00 0.00 175.22 177.46 3fg6 s THR 636 N -1.64 0.03 0.29 -4.49 -4.23 -1.26 -4.64 115.64 99.69 3fg6 s THR 636 Ca 0.24 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.78 3fg6 s THR 636 Cb -0.09 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.54 3fg6 s THR 636 CO 0.14 0.00 1.77 -0.61 -0.54 0.00 0.00 174.62 175.39 3fg6 h GLN 637 N 2.08 0.69 0.00 3.99 4.15 -1.92 -1.21 115.11 122.89 3fg6 h GLN 637 Ca -0.25 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3fg6 h GLN 637 Cb 1.23 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3fg6 h GLN 637 CO 0.36 0.46 0.00 -0.25 -1.93 0.00 0.00 178.83 177.47 3fg6 n ASP 638 N -4.81 0.00 0.21 -0.69 9.92 -1.26 -2.04 116.55 117.88 3fg6 n ASP 638 Ca 0.21 0.40 0.14 0.00 -0.53 0.00 0.00 54.79 55.01 3fg6 n ASP 638 Cb 0.51 -0.46 0.40 0.00 -0.64 0.00 0.00 41.12 40.93 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 -2.44 -2.24 3.32 -1.63 -3.43 116.42 110.01 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 0.29 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 3fg6 h ASP 639 CO 0.00 0.00 1.23 -0.76 -1.72 0.00 0.00 179.24 177.99 3fg6 s LEU 640 N -5.73 3.36 -0.42 1.55 1.43 -0.87 -4.92 118.68 113.09 3fg6 s LEU 640 Ca 0.06 0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 3fg6 s LEU 640 Cb 0.08 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3fg6 s LEU 640 CO 0.59 -1.98 2.03 0.00 0.23 0.00 0.00 176.35 177.22 3fg6 s ALA 641 N 7.35 2.37 0.58 4.21 0.00 -1.26 -4.82 121.76 130.19 3fg6 s ALA 641 Ca 0.62 0.05 0.31 0.00 0.00 0.00 0.00 51.96 52.94 3fg6 s ALA 641 Cb -0.13 -4.18 1.35 0.00 0.00 0.00 0.00 23.12 20.16 3fg6 s ALA 641 CO 0.24 -3.42 1.68 1.49 0.00 0.00 0.00 175.76 175.75 3fg6 h GLU 642 N 15.35 0.00 -0.44 0.00 4.81 -1.93 0.42 114.58 132.79 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 1.10 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.98 3fg6 n ASP 643 N -3.69 3.87 -0.78 1.04 5.75 -1.26 -2.54 116.55 118.94 3fg6 n ASP 643 Ca 0.19 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 3fg6 n ASP 643 Cb 1.14 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.79 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 0.47 0.11 -4.42 -1.12 10.43 0.14 -3.82 116.55 118.34 3fg6 n ASP 644 Ca 0.20 -0.74 -0.32 0.00 2.57 0.00 0.00 54.79 56.49 3fg6 n ASP 644 Cb 0.72 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.55 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 -1.67 2.85 -0.11 2.53 1.01 -0.59 -1.80 120.40 122.63 3fg6 s VAL 645 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.21 3fg6 s VAL 645 Cb 0.00 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 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 -0.46 3.11 -0.26 2.72 1.00 0.29 0.18 119.30 125.89 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 -2.49 -0.05 0.00 0.00 0.00 0.00 34.83 32.18 3fg6 s MET 646 CO 0.02 0.29 0.16 -0.51 0.00 0.00 0.00 175.02 174.97 3fg6 s LEU 647 N 0.13 3.92 -0.35 -0.03 1.43 -0.21 0.04 118.68 123.60 3fg6 s LEU 647 Ca -0.08 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3fg6 s LEU 647 Cb -0.15 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 44.08 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 1.54 4.55 -0.72 1.79 2.96 -0.09 0.17 118.68 128.88 3fg6 s LEU 648 Ca 0.07 -1.70 -0.25 0.00 -0.22 0.00 0.00 54.13 52.02 3fg6 s LEU 648 Cb -0.15 -1.74 0.05 0.00 0.50 0.00 0.00 46.19 44.84 3fg6 s LEU 648 CO 0.08 -0.39 1.15 -0.62 -1.32 0.00 0.00 176.35 175.25 3fg6 s ASP 649 N 1.43 6.18 -0.09 3.68 2.15 -0.23 -0.83 116.67 128.96 3fg6 s ASP 649 Ca 0.02 -0.71 0.10 0.00 0.43 0.00 0.00 52.55 52.40 3fg6 s ASP 649 Cb -0.21 -2.50 0.45 0.00 -0.30 0.00 0.00 42.92 40.36 3fg6 s ASP 649 CO -0.03 -1.66 1.28 0.00 -0.17 0.00 0.00 175.17 174.58 3fg6 n ALA 650 N 8.66 2.98 0.00 3.66 0.00 0.22 -1.84 120.51 134.18 3fg6 n ALA 650 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3fg6 n ALA 650 Cb 0.48 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3fg6 n ALA 650 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 3fg6 n TRP 651 N 0.54 0.00 0.53 0.00 -0.00 -1.26 -3.98 117.44 113.27 3fg6 n TRP 651 Ca 0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.77 3fg6 n TRP 651 Cb 0.64 0.00 0.44 0.00 -0.00 0.00 0.00 31.31 32.40 3fg6 n TRP 651 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 177.69 176.84 3fg6 n GLU 652 N 0.00 0.14 -3.57 5.87 0.28 -1.26 -4.83 120.64 117.27 3fg6 n GLU 652 Ca 0.00 0.30 -0.15 0.00 -0.16 0.00 0.00 57.16 57.15 3fg6 n GLU 652 Cb 0.00 -1.73 -0.06 0.00 1.43 0.00 0.00 31.44 31.08 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 -3.17 0.89 -0.18 3.44 0.74 -1.26 -4.32 119.66 115.81 3fg6 s GLN 653 Ca 0.07 0.51 0.00 0.00 0.05 0.00 0.00 55.36 55.99 3fg6 s GLN 653 Cb 0.11 0.42 0.01 0.00 1.10 0.00 0.00 33.01 34.66 3fg6 s GLN 653 CO 0.41 -0.22 -0.18 0.42 -0.55 0.00 0.00 175.29 175.18 3fg6 s ILE 654 N -0.56 2.29 -0.15 -2.34 1.01 -0.75 -0.61 121.20 120.08 3fg6 s ILE 654 Ca -0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.64 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 0.15 -0.36 0.00 0.00 0.00 174.94 175.30 3fg6 s PHE 655 N 1.23 3.53 -0.34 3.97 0.08 -0.01 -0.77 117.98 125.67 3fg6 s PHE 655 Ca 0.03 0.48 -0.03 0.00 0.12 0.00 0.00 56.93 57.53 3fg6 s PHE 655 Cb -0.14 -2.04 0.07 0.00 -0.57 0.00 0.00 43.02 40.34 3fg6 s PHE 655 CO -0.09 0.56 0.09 0.42 -0.10 0.00 0.00 175.22 176.10 3fg6 s ILE 656 N -0.50 3.18 -0.27 0.64 1.01 -0.48 -0.92 121.20 123.86 3fg6 s ILE 656 Ca 0.13 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.99 3fg6 s ILE 656 Cb -0.12 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.36 3fg6 s ILE 656 CO 0.02 -0.34 0.51 0.86 0.00 0.00 0.00 174.94 175.99 3fg6 s TRP 657 N 1.22 3.25 -0.31 3.97 -0.00 0.11 0.09 118.94 127.27 3fg6 s TRP 657 Ca 0.00 0.56 -0.11 0.00 -0.00 0.00 0.00 56.10 56.55 3fg6 s TRP 657 Cb -0.21 -2.74 -0.03 0.00 -0.00 0.00 0.00 33.47 30.49 3fg6 s TRP 657 CO -0.02 -0.32 0.19 0.42 -0.00 0.00 0.00 176.95 177.23 3fg6 s ILE 658 N 2.31 5.07 0.57 5.86 1.01 0.91 -0.55 121.20 136.39 3fg6 s ILE 658 Ca 0.20 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 3fg6 s ILE 658 Cb -0.16 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 3fg6 s ILE 658 CO 0.10 0.12 1.09 -0.83 0.00 0.00 0.00 174.94 175.42 3fg6 s GLY 659 N 1.70 2.37 0.00 6.18 0.00 -0.74 -2.02 107.32 114.81 3fg6 s GLY 659 Ca 0.06 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3fg6 s GLY 659 CO 0.09 0.94 0.79 0.58 0.00 0.00 0.00 173.10 175.50 3fg6 n LYS 660 N -1.65 0.00 -0.29 2.90 2.85 -1.06 -2.25 118.16 118.66 3fg6 n LYS 660 Ca 0.10 0.30 0.04 0.00 -1.05 0.00 0.00 58.31 57.70 3fg6 n LYS 660 Cb 0.52 -1.52 0.06 0.00 -0.65 0.00 0.00 35.03 33.44 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 -1.29 1.01 -4.82 -5.58 8.00 -1.05 -5.05 116.55 107.77 3fg6 n ASP 661 Ca 0.00 -2.40 -0.33 0.00 0.71 0.00 0.00 54.79 52.76 3fg6 n ASP 661 Cb 0.02 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 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 -1.19 3.08 0.88 2.24 0.00 -0.95 -4.57 121.76 121.25 3fg6 s ALA 662 Ca 0.13 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 3fg6 s ALA 662 Cb 0.11 -3.13 0.13 0.00 0.00 0.00 0.00 23.12 20.23 3fg6 s ALA 662 CO 0.01 0.15 1.15 -0.80 0.00 0.00 0.00 175.76 176.27 3fg6 s ASN 663 N -2.11 3.18 0.28 0.00 -0.87 -1.26 -4.94 114.94 109.21 3fg6 s ASN 663 Ca 0.60 2.17 0.10 0.00 -1.57 0.00 0.00 52.86 54.16 3fg6 s ASN 663 Cb -0.10 -2.57 0.39 0.00 -0.02 0.00 0.00 41.25 38.95 3fg6 s ASN 663 CO 0.15 -2.93 1.64 -0.33 -2.57 0.00 0.00 177.10 173.05 3fg6 h GLU 664 N -1.67 0.03 -0.29 -0.60 4.39 -2.00 -2.90 114.58 111.55 3fg6 h GLU 664 Ca -0.43 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.07 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 0.43 0.60 -0.51 -0.39 -1.16 0.00 0.00 179.01 177.99 3fg6 h VAL 665 N 0.02 1.28 -0.62 3.13 -1.51 -1.98 -1.98 116.25 114.59 3fg6 h VAL 665 Ca -0.01 -1.70 0.05 0.00 -1.23 0.00 0.00 66.70 63.82 3fg6 h VAL 665 Cb 1.04 1.60 -0.05 0.00 -2.13 0.00 0.00 31.29 31.74 3fg6 h VAL 665 CO 0.08 0.55 0.34 -0.33 -1.23 0.00 0.00 177.57 176.98 3fg6 h GLU 666 N 0.64 0.63 0.20 5.19 5.08 -1.93 0.11 114.58 124.51 3fg6 h GLU 666 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3fg6 h GLU 666 Cb 1.09 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3fg6 h GLU 666 CO 0.11 0.41 -0.10 0.87 -1.00 0.00 0.00 179.01 179.31 3fg6 h LYS 667 N 0.65 -0.26 0.00 2.33 1.57 -1.37 -2.31 116.57 117.16 3fg6 h LYS 667 Ca 0.27 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.00 3fg6 h LYS 667 Cb 0.15 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3fg6 h LYS 667 CO -0.17 -0.12 -0.32 0.87 -0.57 0.00 0.00 179.45 179.14 3fg6 h LYS 668 N -0.35 0.00 0.09 3.15 6.56 -1.09 -1.68 116.57 123.26 3fg6 h LYS 668 Ca -0.03 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.30 3fg6 h LYS 668 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 3fg6 h LYS 668 CO 0.05 0.32 -1.16 0.93 -2.06 0.00 0.00 179.45 177.53 3fg6 h GLU 669 N 0.00 0.29 -0.02 3.15 4.39 -0.82 -2.22 114.58 119.36 3fg6 h GLU 669 Ca -0.00 -0.44 -0.13 0.00 0.34 0.00 0.00 59.36 59.13 3fg6 h GLU 669 Cb 1.07 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3fg6 h GLU 669 CO 0.04 1.18 -0.59 0.66 -1.16 0.00 0.00 179.01 179.14 3fg6 h SER 670 N 0.11 0.06 -0.44 1.42 4.64 -1.33 -2.14 113.55 115.87 3fg6 h SER 670 Ca -0.12 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.05 3fg6 h SER 670 Cb 1.86 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.92 3fg6 h SER 670 CO 0.19 0.64 -0.17 0.25 -0.87 0.00 0.00 176.83 176.88 3fg6 h LEU 671 N 0.04 0.94 -0.30 5.97 6.46 -1.31 -1.65 115.31 125.45 3fg6 h LEU 671 Ca -0.01 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 3fg6 h LEU 671 Cb 1.06 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 3fg6 h LEU 671 CO 0.08 1.09 0.17 0.11 -0.62 0.00 0.00 178.44 179.27 3fg6 h LYS 672 N 0.82 0.42 0.00 1.25 1.57 -1.14 -0.30 116.57 119.19 3fg6 h LYS 672 Ca 0.12 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3fg6 h LYS 672 Cb 0.72 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3fg6 h LYS 672 CO 0.05 0.35 -0.36 0.77 -0.57 0.00 0.00 179.45 179.69 3fg6 h SER 673 N 0.37 0.00 0.54 0.86 0.02 -1.34 0.28 113.55 114.29 3fg6 h SER 673 Ca 0.11 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.81 3fg6 h SER 673 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fg6 h SER 673 CO -0.02 0.36 -1.10 0.00 -1.14 0.00 0.00 176.83 174.94 3fg6 h ALA 674 N 1.64 0.24 0.07 3.77 0.00 -1.15 -2.64 119.26 121.19 3fg6 h ALA 674 Ca -0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 54.91 53.88 3fg6 h ALA 674 Cb 0.80 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.60 3fg6 h ALA 674 CO 0.05 0.92 -0.90 0.87 0.00 0.00 0.00 179.25 180.19 3fg6 h LYS 675 N 0.12 0.49 -0.26 0.00 1.57 -0.80 -3.09 116.57 114.60 3fg6 h LYS 675 Ca -0.10 -0.62 0.06 0.00 -1.87 0.00 0.00 60.65 58.12 3fg6 h LYS 675 Cb 1.79 0.20 -0.08 0.00 0.08 0.00 0.00 32.23 34.22 3fg6 h LYS 675 CO 0.18 1.25 -0.32 1.98 -0.57 0.00 0.00 179.45 181.97 3fg6 h MET 676 N 0.01 -0.31 0.00 3.15 1.85 -0.58 -2.83 114.93 116.22 3fg6 h MET 676 Ca -0.13 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 3fg6 h MET 676 Cb 1.62 0.07 -0.00 0.00 0.43 0.00 0.00 31.60 33.72 3fg6 h MET 676 CO 0.17 -0.21 -0.05 -0.92 -0.40 0.00 0.00 176.91 175.51 3fg6 h TYR 677 N -0.32 0.00 -2.13 1.39 3.20 -1.50 -3.51 116.97 114.10 3fg6 h TYR 677 Ca 0.13 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3fg6 h TYR 677 Cb 0.54 0.00 0.04 0.00 1.54 0.00 0.00 36.73 38.84 3fg6 h TYR 677 CO -0.47 0.05 0.05 1.28 -1.64 0.00 0.00 178.16 177.43 3fg6 n LEU 678 N -3.46 0.00 -0.55 2.82 4.77 -1.07 -5.10 117.00 114.41 3fg6 n LEU 678 Ca -0.02 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3fg6 n LEU 678 Cb 0.17 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3fg6 n LEU 678 CO 0.26 -0.92 0.00 0.41 -1.33 0.00 0.00 177.39 175.82 3fg6 n THR 689 N -2.61 -0.73 -1.33 -5.08 -1.04 -1.26 -5.01 114.28 97.21 3fg6 n THR 689 Ca 0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 3fg6 n THR 689 Cb 0.11 -1.47 0.09 0.00 -1.82 0.00 0.00 70.33 67.24 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 -0.04 0.48 -3.54 -2.82 -0.02 -1.26 -4.86 135.00 122.94 3fg6 n PRO 690 Ca 0.00 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.41 3fg6 n PRO 690 Cb 0.00 -2.21 -0.14 0.00 -0.02 0.00 0.00 33.50 31.13 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 -1.84 0.14 -0.19 4.25 2.07 -1.26 -1.82 121.20 122.55 3fg6 s ILE 691 Ca 0.73 -1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.66 3fg6 s ILE 691 Cb -0.34 -1.12 -0.05 0.00 0.13 0.00 0.00 42.46 41.08 3fg6 s ILE 691 CO 0.51 -0.81 0.20 -0.69 -1.91 0.00 0.00 174.94 172.23 3fg6 s VAL 692 N 1.66 5.36 -0.17 4.00 1.01 0.05 -4.97 120.40 127.35 3fg6 s VAL 692 Ca 0.12 0.34 -0.14 0.00 0.00 0.00 0.00 61.98 62.29 3fg6 s VAL 692 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3fg6 s VAL 692 CO -0.22 0.41 0.32 -0.63 0.00 0.00 0.00 175.10 174.98 3fg6 s ILE 693 N 0.47 5.28 -0.09 2.22 1.01 -1.26 -1.38 121.20 127.46 3fg6 s ILE 693 Ca 0.11 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.38 3fg6 s ILE 693 Cb -0.12 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.70 3fg6 s ILE 693 CO 0.01 0.36 -0.16 -0.63 0.00 0.00 0.00 174.94 174.52 3fg6 s ILE 694 N 0.65 1.47 0.23 2.92 1.09 0.11 -4.94 121.20 122.72 3fg6 s ILE 694 Ca 0.17 -0.66 -0.15 0.00 -1.10 0.00 0.00 60.65 58.92 3fg6 s ILE 694 Cb -0.13 -1.31 -0.08 0.00 -1.06 0.00 0.00 42.46 39.87 3fg6 s ILE 694 CO 0.05 0.43 0.64 -0.54 -0.10 0.00 0.00 174.94 175.42 3fg6 s LYS 695 N 0.68 4.00 0.29 2.79 -0.14 -1.26 -0.06 119.74 126.05 3fg6 s LYS 695 Ca -0.13 0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 54.75 3fg6 s LYS 695 Cb -0.16 -2.72 -0.11 0.00 -1.68 0.00 0.00 37.83 33.16 3fg6 s LYS 695 CO 0.03 0.34 1.55 -1.14 -0.76 0.00 0.00 175.35 175.37 3fg6 s GLN 696 N -2.43 4.15 0.00 1.68 0.74 -0.86 -2.26 119.66 120.69 3fg6 s GLN 696 Ca 0.45 2.52 0.00 0.00 0.05 0.00 0.00 55.36 58.38 3fg6 s GLN 696 Cb -0.13 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.94 3fg6 s GLN 696 CO 0.20 -0.57 0.00 0.41 -0.55 0.00 0.00 175.29 174.77 3fg6 n GLY 697 N 1.94 0.93 0.14 2.59 0.00 -1.26 -4.82 105.19 104.71 3fg6 n GLY 697 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.12 3fg6 n GLY 697 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3fg6 n HIS 698 N -2.07 0.00 -1.88 1.61 -0.00 -0.96 -5.09 115.22 106.84 3fg6 n HIS 698 Ca 0.00 -0.41 -0.42 0.00 0.46 0.00 0.00 57.72 57.35 3fg6 n HIS 698 Cb 0.00 -0.07 -0.03 0.00 -0.12 0.00 0.00 29.99 29.78 3fg6 n HIS 698 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 3fg6 s GLU 699 N -1.06 4.19 0.61 1.57 8.01 -1.23 -4.77 118.70 126.01 3fg6 s GLU 699 Ca 0.09 2.44 -0.16 0.00 0.01 0.00 0.00 54.97 57.35 3fg6 s GLU 699 Cb 0.08 -3.11 -0.03 0.00 -4.31 0.00 0.00 34.13 26.76 3fg6 s GLU 699 CO 0.01 -0.61 1.07 -1.25 0.01 0.00 0.00 175.26 174.49 3fg6 s PRO 700 N 0.65 3.19 0.45 0.39 0.04 -1.26 -4.84 135.00 133.62 3fg6 s PRO 700 Ca 0.68 1.28 0.15 0.00 0.04 0.00 0.00 61.00 63.15 3fg6 s PRO 700 Cb -0.45 -2.01 1.09 0.00 0.04 0.00 0.00 34.50 33.17 3fg6 s PRO 700 CO 0.36 -0.92 2.00 -1.35 0.04 0.00 0.00 177.00 177.13 3fg6 h PRO 701 N 0.39 0.32 0.00 0.56 0.11 -1.94 -1.21 132.00 130.23 3fg6 h PRO 701 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3fg6 h PRO 701 Cb 1.23 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fg6 h PRO 701 CO 0.57 0.21 -0.09 0.00 -0.21 0.00 0.00 178.00 178.47 3fg6 h THR 702 N 0.33 0.79 0.06 -1.15 1.03 -1.89 -1.42 112.91 110.66 3fg6 h THR 702 Ca 0.24 -0.35 -0.27 0.00 -0.01 0.00 0.00 66.41 66.03 3fg6 h THR 702 Cb 0.53 1.20 -0.02 0.00 -1.07 0.00 0.00 68.15 68.80 3fg6 h THR 702 CO -0.06 0.09 -1.45 0.15 -0.01 0.00 0.00 175.52 174.24 3fg6 h PHE 703 N 0.00 0.23 -0.21 0.00 3.57 -1.64 -3.39 116.94 115.50 3fg6 h PHE 703 Ca -0.00 -0.17 0.06 0.00 3.53 0.00 0.00 57.97 61.39 3fg6 h PHE 703 Cb 0.20 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3fg6 h PHE 703 CO 0.00 1.57 0.16 1.15 -2.23 0.00 0.00 178.31 178.96 3fg6 h THR 704 N -0.55 0.82 0.00 4.41 2.02 -1.09 -2.91 112.91 115.62 3fg6 h THR 704 Ca -0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3fg6 h THR 704 Cb 1.59 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 3fg6 h THR 704 CO -0.06 0.00 -0.04 1.23 0.37 0.00 0.00 175.52 177.02 3fg6 h GLY 705 N 0.00 0.00 0.88 2.16 0.00 -1.45 -2.46 103.07 102.20 3fg6 h GLY 705 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 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 -4.08 0.00 -4.23 5.60 7.02 -1.10 -4.76 117.44 115.89 3fg6 n TRP 706 Ca -0.03 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.15 3fg6 n TRP 706 Cb 0.13 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.92 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 -2.00 2.76 -0.45 -5.99 0.40 -0.93 -4.98 117.98 106.79 3fg6 s PHE 707 Ca 0.35 -0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 56.27 3fg6 s PHE 707 Cb 0.16 -1.45 0.03 0.00 0.51 0.00 0.00 43.02 42.27 3fg6 s PHE 707 CO 0.27 0.43 1.01 -1.17 0.70 0.00 0.00 175.22 176.46 3fg6 s LEU 708 N -2.18 3.87 0.10 -0.37 2.96 -1.26 -4.79 118.68 117.01 3fg6 s LEU 708 Ca 0.21 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3fg6 s LEU 708 Cb -0.11 -3.34 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3fg6 s LEU 708 CO 0.14 -1.10 0.00 0.61 -1.32 0.00 0.00 176.35 174.68 3fg6 n GLY 709 N 4.81 -1.51 3.23 7.98 0.00 -1.26 -4.87 105.19 113.55 3fg6 n GLY 709 Ca 0.08 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.71 3fg6 n GLY 709 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fg6 s TRP 710 N -1.45 -1.30 -1.03 1.61 -0.11 -1.26 -4.95 118.94 110.46 3fg6 s TRP 710 Ca 0.00 1.52 -0.24 0.00 1.22 0.00 0.00 56.10 58.61 3fg6 s TRP 710 Cb 0.00 0.51 -0.07 0.00 -1.50 0.00 0.00 33.47 32.41 3fg6 s TRP 710 CO 0.00 -0.70 1.96 0.34 -4.62 0.00 0.00 176.95 173.93 3fg6 s ASP 711 N 2.86 5.03 0.00 5.86 2.15 -1.26 -4.92 116.67 126.38 3fg6 s ASP 711 Ca 0.12 -1.10 0.00 0.00 0.43 0.00 0.00 52.55 51.99 3fg6 s ASP 711 Cb -0.13 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3fg6 s ASP 711 CO -0.18 -2.96 0.44 -0.24 -0.17 0.00 0.00 175.17 172.05