#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 4.62 -0.11 1.61 2.20 -0.84 -4.89 119.74 122.33 3fg6 s LYS 397 Ca 0.00 1.72 0.03 0.00 -0.36 0.00 0.00 55.97 57.36 3fg6 s LYS 397 Cb 0.00 -3.26 -0.00 0.00 -1.51 0.00 0.00 37.83 33.06 3fg6 s LYS 397 CO 0.00 0.13 -0.21 0.08 -0.36 0.00 0.00 175.35 174.99 3fg6 s VAL 398 N -0.49 2.33 -0.04 4.02 1.01 -1.26 -1.61 120.40 124.35 3fg6 s VAL 398 Ca 0.48 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.57 3fg6 s VAL 398 Cb -0.30 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3fg6 s VAL 398 CO 0.36 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 174.26 3fg6 s GLU 399 N 0.36 1.51 -0.11 2.72 2.02 -0.30 -5.00 118.70 119.89 3fg6 s GLU 399 Ca -0.17 -0.49 0.02 0.00 0.02 0.00 0.00 54.97 54.36 3fg6 s GLU 399 Cb -0.17 -1.33 0.01 0.00 0.10 0.00 0.00 34.13 32.74 3fg6 s GLU 399 CO 0.08 0.18 -0.19 0.42 0.02 0.00 0.00 175.26 175.77 3fg6 s ILE 400 N 0.15 1.75 -0.06 -1.63 1.01 -1.26 -0.11 121.20 121.04 3fg6 s ILE 400 Ca -0.05 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 59.84 3fg6 s ILE 400 Cb -0.11 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3fg6 s ILE 400 CO 0.02 0.49 -0.18 0.26 0.00 0.00 0.00 174.94 175.53 3fg6 s TRP 401 N 0.77 2.61 0.08 3.97 0.51 -0.34 -2.51 118.94 124.03 3fg6 s TRP 401 Ca -0.10 -0.40 -0.22 0.00 -2.12 0.00 0.00 56.10 53.26 3fg6 s TRP 401 Cb -0.16 -1.64 -0.07 0.00 -0.81 0.00 0.00 33.47 30.80 3fg6 s TRP 401 CO 0.01 0.00 0.67 0.50 -0.51 0.00 0.00 176.95 177.62 3fg6 s ARG 402 N -0.41 4.39 -0.26 4.98 3.52 0.33 -0.99 118.95 130.51 3fg6 s ARG 402 Ca 0.04 0.92 -0.21 0.00 -0.13 0.00 0.00 55.73 56.36 3fg6 s ARG 402 Cb -0.12 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3fg6 s ARG 402 CO 0.02 0.49 0.65 0.08 -0.81 0.00 0.00 175.30 175.73 3fg6 s VAL 403 N -0.72 4.96 0.00 7.11 1.01 -0.85 -0.66 120.40 131.25 3fg6 s VAL 403 Ca 0.33 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.46 3fg6 s VAL 403 Cb -0.20 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3fg6 s VAL 403 CO 0.21 0.00 0.00 1.21 0.00 0.00 0.00 175.10 176.52 3fg6 n GLU 404 N 5.76 0.00 -0.00 2.72 0.00 -0.29 -4.67 120.64 124.16 3fg6 n GLU 404 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 57.16 57.23 3fg6 n GLU 404 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.83 3fg6 n GLU 404 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3fg6 n ASN 405 N 0.00 1.06 -2.79 4.31 5.15 -1.26 -4.14 115.26 117.58 3fg6 n ASN 405 Ca 0.00 -0.50 -0.01 0.00 -0.60 0.00 0.00 54.58 53.47 3fg6 n ASN 405 Cb 0.00 1.27 0.07 0.00 -0.53 0.00 0.00 39.78 40.59 3fg6 n ASN 405 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3fg6 n ASN 406 N -1.61 0.87 0.00 1.20 2.85 -1.26 -5.04 115.26 112.27 3fg6 n ASN 406 Ca 0.01 -2.12 0.00 0.00 -0.11 0.00 0.00 54.58 52.36 3fg6 n ASN 406 Cb 0.29 -0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.09 3fg6 n ASN 406 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3fg6 n GLY 407 N -0.76 -1.22 3.71 8.20 0.00 -1.26 -5.13 105.19 108.74 3fg6 n GLY 407 Ca 0.02 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.37 4.17 -0.11 1.61 0.52 -1.26 -1.14 118.95 122.38 3fg6 s ARG 408 Ca 0.00 -0.17 0.03 0.00 -0.52 0.00 0.00 55.73 55.08 3fg6 s ARG 408 Cb 0.00 -3.45 0.00 0.00 0.52 0.00 0.00 34.95 32.02 3fg6 s ARG 408 CO 0.00 0.22 -0.23 0.42 0.02 0.00 0.00 175.30 175.73 3fg6 s ILE 409 N 0.57 2.08 0.09 1.52 1.01 0.17 -4.95 121.20 121.69 3fg6 s ILE 409 Ca 0.10 -1.00 -0.33 0.00 0.00 0.00 0.00 60.65 59.42 3fg6 s ILE 409 Cb -0.12 -1.80 -0.12 0.00 0.01 0.00 0.00 42.46 40.43 3fg6 s ILE 409 CO 0.01 0.56 1.75 0.00 0.00 0.00 0.00 174.94 177.26 3fg6 n GLN 410 N 3.68 2.42 -3.03 2.79 6.02 -1.26 -0.51 117.38 127.49 3fg6 n GLN 410 Ca -0.19 0.88 -0.38 0.00 -0.01 0.00 0.00 57.00 57.30 3fg6 n GLN 410 Cb 0.53 -2.72 -0.06 0.00 1.02 0.00 0.00 30.24 29.01 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 2.35 4.46 0.13 5.09 0.11 -1.04 -4.80 120.40 126.69 3fg6 s VAL 411 Ca 0.83 1.50 -0.35 0.00 -2.93 0.00 0.00 61.98 61.03 3fg6 s VAL 411 Cb -0.60 -3.98 -0.16 0.00 -1.53 0.00 0.00 36.38 30.11 3fg6 s VAL 411 CO 0.41 0.34 1.40 -0.67 -3.33 0.00 0.00 175.10 173.25 3fg6 n ASP 412 N 1.08 2.13 -0.32 3.54 -0.08 -1.26 -4.89 116.55 116.75 3fg6 n ASP 412 Ca -0.04 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.39 3fg6 n ASP 412 Cb 0.50 -1.28 0.17 0.00 2.34 0.00 0.00 41.12 42.85 3fg6 n ASP 412 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fg6 h GLN 413 N 4.84 0.92 0.00 -0.67 5.75 -1.97 0.07 115.11 124.05 3fg6 h GLN 413 Ca -0.46 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 57.94 3fg6 h GLN 413 Cb 1.31 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.64 3fg6 h GLN 413 CO 0.80 0.61 -0.22 -0.91 -2.65 0.00 0.00 178.83 176.47 3fg6 h ASN 414 N 0.95 0.00 -0.30 -0.69 4.21 -2.05 -3.12 115.58 114.57 3fg6 h ASN 414 Ca 0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.92 3fg6 h ASN 414 Cb 0.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 3fg6 h ASN 414 CO -0.22 0.22 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 3fg6 n SER 415 N -3.88 2.42 -4.65 5.81 7.64 0.00 -4.90 113.62 116.07 3fg6 n SER 415 Ca -0.02 -2.19 -0.42 0.00 1.01 0.00 0.00 58.87 57.25 3fg6 n SER 415 Cb 0.31 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.09 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 -1.66 1.70 0.00 1.43 4.12 -1.18 -1.11 117.35 120.65 3fg6 s TYR 416 Ca 0.24 0.06 0.00 0.00 0.02 0.00 0.00 57.07 57.39 3fg6 s TYR 416 Cb 0.15 -4.03 0.00 0.00 -1.52 0.00 0.00 41.96 36.56 3fg6 s TYR 416 CO 0.12 -4.29 0.00 0.41 0.02 0.00 0.00 175.55 171.80 3fg6 n GLY 417 N 4.47 2.32 3.54 0.71 0.00 -1.26 -5.00 105.19 109.96 3fg6 n GLY 417 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3fg6 n GLY 417 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg6 s GLU 418 N -0.66 3.44 0.08 1.61 2.02 -0.27 -0.60 118.70 124.31 3fg6 s GLU 418 Ca 0.00 -0.28 0.09 0.00 0.02 0.00 0.00 54.97 54.80 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 -0.83 -0.24 -0.06 0.02 0.00 0.00 175.26 174.15 3fg6 s PHE 419 N 2.59 2.08 -0.01 1.61 0.40 -0.41 -5.01 117.98 119.22 3fg6 s PHE 419 Ca 0.20 -0.39 -0.20 0.00 -0.60 0.00 0.00 56.93 55.94 3fg6 s PHE 419 Cb -0.15 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.13 3fg6 s PHE 419 CO 0.16 0.18 0.57 0.71 0.70 0.00 0.00 175.22 177.54 3fg6 s TYR 420 N -0.93 3.68 0.48 0.36 2.02 -1.26 -0.39 117.35 121.32 3fg6 s TYR 420 Ca 0.10 1.16 0.14 0.00 -0.37 0.00 0.00 57.07 58.10 3fg6 s TYR 420 Cb -0.10 -2.57 1.14 0.00 -0.40 0.00 0.00 41.96 40.03 3fg6 s TYR 420 CO 0.03 0.38 2.10 0.78 -1.57 0.00 0.00 175.55 177.27 3fg6 h GLY 421 N 5.58 0.12 -2.19 0.71 0.00 -1.90 -2.71 103.07 102.69 3fg6 h GLY 421 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3fg6 h GLY 421 CO 0.69 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.89 3fg6 n GLY 422 N -1.44 1.98 3.28 4.60 0.00 -1.26 -1.85 105.19 110.50 3fg6 n GLY 422 Ca -0.02 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.56 1.79 0.03 1.61 1.01 -1.02 -3.93 116.67 115.59 3fg6 s ASP 423 Ca 0.29 -1.09 0.06 0.00 0.71 0.00 0.00 52.55 52.52 3fg6 s ASP 423 Cb 0.21 0.00 -0.03 0.00 1.01 0.00 0.00 42.92 44.11 3fg6 s ASP 423 CO 0.11 -0.40 -0.13 0.00 0.21 0.00 0.00 175.17 174.95 3fg6 s TYR 425 N -0.97 1.32 -0.30 0.00 1.51 0.11 -2.01 117.35 117.01 3fg6 s TYR 425 Ca 0.16 -0.36 -0.06 0.00 -1.01 0.00 0.00 57.07 55.80 3fg6 s TYR 425 Cb -0.11 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.98 3fg6 s TYR 425 CO 0.07 0.05 0.06 0.42 -1.11 0.00 0.00 175.55 175.03 3fg6 s ILE 426 N -0.86 3.69 -0.27 2.71 1.01 -0.16 -0.09 121.20 127.23 3fg6 s ILE 426 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3fg6 s ILE 426 Cb -0.08 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 3fg6 s ILE 426 CO 0.01 0.01 0.11 -0.63 0.00 0.00 0.00 174.94 174.44 3fg6 s ILE 427 N 1.43 4.55 -0.25 2.92 1.01 0.13 -1.20 121.20 129.79 3fg6 s ILE 427 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 3fg6 s ILE 427 Cb -0.18 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3fg6 s ILE 427 CO 0.01 0.27 0.07 -0.22 0.00 0.00 0.00 174.94 175.07 3fg6 s LEU 428 N 1.64 3.46 -0.23 2.97 2.96 0.84 -0.49 118.68 129.82 3fg6 s LEU 428 Ca 0.06 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.68 3fg6 s LEU 428 Cb -0.16 -1.92 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3fg6 s LEU 428 CO 0.05 -0.04 0.00 -0.47 -1.32 0.00 0.00 176.35 174.57 3fg6 s TYR 429 N 1.61 3.01 -0.19 5.38 5.04 0.24 -1.16 117.35 131.28 3fg6 s TYR 429 Ca 0.06 -0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 53.96 3fg6 s TYR 429 Cb -0.15 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.00 3fg6 s TYR 429 CO 0.03 -0.46 -0.12 0.95 -1.34 0.00 0.00 175.55 174.61 3fg6 s THR 430 N 1.51 2.79 0.27 4.34 -4.23 -0.63 -1.02 115.64 118.67 3fg6 s THR 430 Ca 0.06 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.96 3fg6 s THR 430 Cb -0.15 -2.22 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 3fg6 s THR 430 CO -0.00 0.48 0.01 -0.72 -0.54 0.00 0.00 174.62 173.85 3fg6 s TYR 431 N 1.25 2.72 0.30 3.99 -0.85 -1.19 -1.98 117.35 121.59 3fg6 s TYR 431 Ca 0.03 -0.22 0.21 0.00 -0.52 0.00 0.00 57.07 56.57 3fg6 s TYR 431 Cb -0.14 -1.23 1.14 0.00 0.38 0.00 0.00 41.96 42.12 3fg6 s TYR 431 CO -0.06 0.60 1.59 -1.35 -1.52 0.00 0.00 175.55 174.82 3fg6 h PRO 432 N 1.85 0.00 0.00 -3.49 0.11 -2.02 -3.21 132.00 125.24 3fg6 h PRO 432 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fg6 h PRO 432 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3fg6 h PRO 432 CO 0.61 0.00 -0.46 0.54 -0.21 0.00 0.00 178.00 178.48 3fg6 n ARG 433 N -2.45 0.33 0.00 1.05 5.12 -1.26 -5.10 116.66 114.35 3fg6 n ARG 433 Ca -0.01 0.34 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 3fg6 n ARG 433 Cb 0.34 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 3fg6 n ARG 433 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3fg6 n GLY 434 N 1.60 5.38 3.15 -0.13 0.00 -1.21 -5.17 105.19 108.80 3fg6 n GLY 434 Ca -0.06 -1.30 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 2.87 0.54 -0.07 1.61 -1.52 -1.26 -3.19 119.66 118.63 3fg6 s GLN 435 Ca 0.00 -0.29 0.01 0.00 -1.95 0.00 0.00 55.36 53.13 3fg6 s GLN 435 Cb 0.00 0.23 0.02 0.00 -0.22 0.00 0.00 33.01 33.04 3fg6 s GLN 435 CO 0.00 -0.13 -0.08 0.42 -0.25 0.00 0.00 175.29 175.24 3fg6 s ILE 436 N -1.29 0.91 -0.33 1.08 1.01 -0.19 -1.81 121.20 120.59 3fg6 s ILE 436 Ca -0.14 -0.30 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3fg6 s ILE 436 Cb -0.06 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.55 3fg6 s ILE 436 CO 0.02 0.32 0.11 -0.63 0.00 0.00 0.00 174.94 174.76 3fg6 s ILE 437 N 1.07 3.93 -0.25 2.92 1.01 0.79 -0.59 121.20 130.08 3fg6 s ILE 437 Ca -0.08 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.43 3fg6 s ILE 437 Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3fg6 s ILE 437 CO -0.01 -0.10 0.52 -0.31 0.00 0.00 0.00 174.94 175.04 3fg6 s TYR 438 N 1.45 3.28 -0.64 3.97 2.02 0.36 -0.67 117.35 127.11 3fg6 s TYR 438 Ca 0.00 0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 57.20 3fg6 s TYR 438 Cb -0.19 -2.72 0.15 0.00 -0.40 0.00 0.00 41.96 38.80 3fg6 s TYR 438 CO 0.03 -0.26 0.64 0.99 -1.57 0.00 0.00 175.55 175.38 3fg6 s THR 439 N 2.24 5.20 -0.33 -0.71 2.01 -0.42 0.18 115.64 123.81 3fg6 s THR 439 Ca 0.22 -1.63 -0.26 0.00 0.31 0.00 0.00 61.69 60.33 3fg6 s THR 439 Cb -0.16 -4.43 0.01 0.00 0.01 0.00 0.00 72.50 67.94 3fg6 s THR 439 CO 0.09 -1.00 0.93 0.86 -0.69 0.00 0.00 174.62 174.82 3fg6 s TRP 440 N 1.54 3.15 -0.23 4.92 -0.00 0.87 -0.71 118.94 128.48 3fg6 s TRP 440 Ca 0.10 0.94 -0.05 0.00 -0.00 0.00 0.00 56.10 57.09 3fg6 s TRP 440 Cb -0.23 -3.51 -0.02 0.00 -0.00 0.00 0.00 33.47 29.72 3fg6 s TRP 440 CO 0.00 -0.71 0.01 -0.65 -0.00 0.00 0.00 176.95 175.60 3fg6 s GLN 441 N 3.35 3.51 0.32 5.86 -0.21 0.12 0.03 119.66 132.65 3fg6 s GLN 441 Ca 0.39 -0.55 -0.29 0.00 0.02 0.00 0.00 55.36 54.93 3fg6 s GLN 441 Cb -0.13 -3.16 -0.10 0.00 1.00 0.00 0.00 33.01 30.63 3fg6 s GLN 441 CO 0.15 -0.19 1.22 0.20 -2.12 0.00 0.00 175.29 174.56 3fg6 s GLY 442 N 1.53 3.01 0.64 3.09 0.00 -0.50 -1.13 107.32 113.96 3fg6 s GLY 442 Ca 0.06 1.11 0.35 0.00 0.00 0.00 0.00 44.72 46.24 3fg6 s GLY 442 CO 0.00 1.73 2.15 0.00 0.00 0.00 0.00 173.10 176.98 3fg6 h ALA 443 N 3.45 1.37 -0.01 3.20 0.00 -1.87 -1.82 119.26 123.57 3fg6 h ALA 443 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3fg6 h ALA 443 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.66 -0.20 -0.42 0.09 0.00 0.00 0.00 179.25 179.38 3fg6 n ASN 444 N -3.26 1.20 -4.61 0.00 3.02 -0.77 -5.03 115.26 105.80 3fg6 n ASN 444 Ca -0.01 -1.10 -0.45 0.00 -0.03 0.00 0.00 54.58 52.99 3fg6 n ASN 444 Cb 0.25 0.66 -0.02 0.00 -0.61 0.00 0.00 39.78 40.06 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 -0.57 0.10 -1.72 5.41 0.00 -0.69 -4.64 120.51 118.40 3fg6 n ALA 445 Ca 0.05 0.40 -0.34 0.00 0.00 0.00 0.00 53.44 53.54 3fg6 n ALA 445 Cb 0.27 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 -0.88 3.34 0.64 0.00 -4.23 -1.26 -4.86 115.64 108.39 3fg6 s THR 446 Ca 0.60 0.78 0.37 0.00 -1.18 0.00 0.00 61.69 62.27 3fg6 s THR 446 Cb -0.69 -3.29 0.40 0.00 1.34 0.00 0.00 72.50 70.26 3fg6 s THR 446 CO 0.59 -0.23 2.26 0.03 -0.54 0.00 0.00 174.62 176.72 3fg6 h ARG 447 N 1.00 0.00 -0.60 3.99 3.08 -1.99 0.52 114.38 120.38 3fg6 h ARG 447 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.51 3fg6 h ARG 447 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3fg6 h ARG 447 CO 0.57 0.00 0.19 0.22 -1.07 0.00 0.00 179.97 179.88 3fg6 h ASP 448 N 0.00 0.87 -0.38 7.04 3.58 -2.00 -2.23 116.42 123.30 3fg6 h ASP 448 Ca 0.01 -0.21 -0.16 0.00 0.42 0.00 0.00 57.03 57.10 3fg6 h ASP 448 Cb 0.13 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3fg6 h ASP 448 CO -0.00 0.85 -0.38 -0.33 -2.88 0.00 0.00 179.24 176.49 3fg6 h GLU 449 N 0.85 0.93 -0.70 0.28 5.08 -1.27 -2.60 114.58 117.15 3fg6 h GLU 449 Ca 0.19 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3fg6 h GLU 449 Cb 0.29 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 3fg6 h GLU 449 CO -0.01 1.15 0.46 -0.07 -1.00 0.00 0.00 179.01 179.54 3fg6 h LEU 450 N 0.75 0.64 -0.06 1.33 3.38 -1.28 0.19 115.31 120.26 3fg6 h LEU 450 Ca 0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.81 3fg6 h LEU 450 Cb 0.98 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.61 3fg6 h LEU 450 CO 0.09 0.41 -0.82 0.74 0.09 0.00 0.00 178.44 178.96 3fg6 h THR 451 N 0.73 1.31 -0.56 0.22 2.02 -1.36 -2.85 112.91 112.42 3fg6 h THR 451 Ca 0.30 -2.08 -0.11 0.00 0.77 0.00 0.00 66.41 65.30 3fg6 h THR 451 Cb 0.26 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 3fg6 h THR 451 CO -0.10 0.64 -0.07 0.74 0.37 0.00 0.00 175.52 177.10 3fg6 h THR 452 N 0.32 1.27 -0.38 3.16 2.02 -1.01 -0.44 112.91 117.84 3fg6 h THR 452 Ca -0.09 -1.22 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 3fg6 h THR 452 Cb 1.48 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3fg6 h THR 452 CO 0.16 0.44 0.24 0.77 0.37 0.00 0.00 175.52 177.50 3fg6 h SER 453 N 0.93 0.45 -0.63 4.18 4.64 -0.72 0.42 113.55 122.82 3fg6 h SER 453 Ca 0.15 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 3fg6 h SER 453 Cb 0.63 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 3fg6 h SER 453 CO 0.04 0.36 0.25 0.00 -0.87 0.00 0.00 176.83 176.61 3fg6 h ALA 454 N 1.11 0.82 -0.64 5.18 0.00 -1.34 -1.71 119.26 122.68 3fg6 h ALA 454 Ca 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3fg6 h ALA 454 Cb -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3fg6 h ALA 454 CO -0.03 0.44 0.33 0.35 0.00 0.00 0.00 179.25 180.34 3fg6 h PHE 455 N 0.88 0.89 0.00 0.00 3.57 -0.76 -2.73 116.94 118.80 3fg6 h PHE 455 Ca 0.21 -0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.49 3fg6 h PHE 455 Cb 0.21 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3fg6 h PHE 455 CO 0.01 0.64 -0.95 -0.07 -2.23 0.00 0.00 178.31 175.71 3fg6 h LEU 456 N 0.90 0.00 -0.63 0.59 3.38 -0.56 -1.90 115.31 117.10 3fg6 h LEU 456 Ca 0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 3fg6 h LEU 456 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fg6 h LEU 456 CO -0.03 0.91 -0.65 0.71 0.09 0.00 0.00 178.44 179.47 3fg6 h THR 457 N 0.00 1.43 -0.23 0.22 1.35 -1.26 0.78 112.91 115.20 3fg6 h THR 457 Ca -0.02 -2.14 -0.01 0.00 -0.55 0.00 0.00 66.41 63.68 3fg6 h THR 457 Cb 1.71 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 70.25 3fg6 h THR 457 CO 0.12 0.62 0.09 0.58 -0.25 0.00 0.00 175.52 176.68 3fg6 h VAL 458 N 0.10 1.17 -0.57 6.82 2.07 -1.44 0.14 116.25 124.55 3fg6 h VAL 458 Ca -0.01 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3fg6 h VAL 458 Cb 1.17 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 3fg6 h VAL 458 CO 0.10 0.17 0.30 1.56 0.02 0.00 0.00 177.57 179.71 3fg6 h GLN 459 N 0.22 0.55 -0.12 1.57 7.50 -1.15 -0.85 115.11 122.83 3fg6 h GLN 459 Ca 0.08 -0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.18 3fg6 h GLN 459 Cb 0.17 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 3fg6 h GLN 459 CO -0.01 0.37 0.04 1.25 -1.50 0.00 0.00 178.83 178.98 3fg6 h LEU 460 N 0.57 0.17 -0.81 1.46 5.85 -0.73 -2.66 115.31 119.17 3fg6 h LEU 460 Ca 0.25 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3fg6 h LEU 460 Cb 0.15 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3fg6 h LEU 460 CO -0.17 0.32 0.46 -0.78 -0.34 0.00 0.00 178.44 177.93 3fg6 h ASP 461 N 0.02 1.00 0.17 1.25 -0.00 -0.53 -2.45 116.42 115.89 3fg6 h ASP 461 Ca 0.04 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.03 56.92 3fg6 h ASP 461 Cb 0.20 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.27 3fg6 h ASP 461 CO -0.00 0.80 -0.25 0.03 -0.00 0.00 0.00 179.24 179.82 3fg6 h ARG 462 N 1.12 0.14 0.00 0.28 3.08 -1.14 0.21 114.38 118.07 3fg6 h ARG 462 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3fg6 h ARG 462 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3fg6 h ARG 462 CO -0.05 0.39 0.00 -1.13 -1.07 0.00 0.00 179.97 178.11 3fg6 n SER 463 N -4.19 0.74 -0.44 7.04 3.41 -0.95 -2.89 113.62 116.33 3fg6 n SER 463 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 3fg6 n SER 463 Cb 0.34 -0.77 0.10 0.00 -0.26 0.00 0.00 64.21 63.62 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 1.78 0.00 1.04 4.77 -0.89 -4.95 117.00 116.56 3fg6 n LEU 464 Ca 0.05 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 3fg6 n LEU 464 Cb 0.41 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3fg6 n LEU 464 CO 0.29 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3fg6 n GLY 465 N 1.40 1.21 1.31 -0.72 0.00 -1.01 -4.38 105.19 102.99 3fg6 n GLY 465 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3fg6 n GLY 465 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 466 N -0.41 0.65 0.12 -0.02 0.00 0.68 -4.93 105.19 101.27 3fg6 n GLY 466 Ca 0.00 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3fg6 n GLY 466 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3fg6 h GLN 467 N 1.38 0.00 -6.85 1.61 5.75 -1.77 -3.48 115.11 111.76 3fg6 h GLN 467 Ca 0.00 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.00 3fg6 h GLN 467 Cb 0.00 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.58 3fg6 h GLN 467 CO 0.00 0.00 0.49 0.00 -2.65 0.00 0.00 178.83 176.67 3fg6 s ALA 468 N -3.23 3.35 0.19 3.38 0.00 -1.26 -4.67 121.76 119.52 3fg6 s ALA 468 Ca 0.05 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 3fg6 s ALA 468 Cb 0.10 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3fg6 s ALA 468 CO 0.72 -0.27 1.00 0.08 0.00 0.00 0.00 175.76 177.29 3fg6 s VAL 469 N -1.24 4.12 -0.15 0.00 1.01 -0.75 -4.93 120.40 118.46 3fg6 s VAL 469 Ca 0.48 1.93 0.00 0.00 0.00 0.00 0.00 61.98 64.39 3fg6 s VAL 469 Cb -0.32 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.83 3fg6 s VAL 469 CO 0.41 0.38 -0.15 -1.10 0.00 0.00 0.00 175.10 174.63 3fg6 s GLN 470 N -0.64 3.23 -0.15 2.72 -0.21 -1.26 -0.15 119.66 123.21 3fg6 s GLN 470 Ca 0.45 -0.75 -0.00 0.00 0.02 0.00 0.00 55.36 55.08 3fg6 s GLN 470 Cb -0.26 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.16 3fg6 s GLN 470 CO 0.33 0.04 -0.09 0.42 -2.12 0.00 0.00 175.29 173.87 3fg6 s ILE 471 N 0.75 1.25 -0.43 1.08 1.01 0.15 -4.98 121.20 120.04 3fg6 s ILE 471 Ca -0.06 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 3fg6 s ILE 471 Cb -0.15 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.04 3fg6 s ILE 471 CO 0.01 0.29 0.94 -0.60 0.00 0.00 0.00 174.94 175.58 3fg6 s ARG 472 N 1.60 3.67 -0.32 2.79 3.52 -1.26 -1.30 118.95 127.64 3fg6 s ARG 472 Ca 0.03 0.36 -0.08 0.00 -0.13 0.00 0.00 55.73 55.90 3fg6 s ARG 472 Cb -0.14 -3.88 0.01 0.00 -1.56 0.00 0.00 34.95 29.39 3fg6 s ARG 472 CO -0.09 -1.13 0.12 0.08 -0.81 0.00 0.00 175.30 173.48 3fg6 s VAL 473 N 3.70 4.19 0.46 7.11 1.01 0.11 -4.95 120.40 132.02 3fg6 s VAL 473 Ca 0.38 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3fg6 s VAL 473 Cb -0.11 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3fg6 s VAL 473 CO 0.24 -0.03 1.07 -0.44 0.00 0.00 0.00 175.10 175.94 3fg6 s SER 474 N 1.52 6.38 -0.17 3.32 0.01 -1.26 0.15 113.70 123.65 3fg6 s SER 474 Ca 0.02 2.06 -0.37 0.00 1.31 0.00 0.00 55.95 58.96 3fg6 s SER 474 Cb -0.18 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.33 3fg6 s SER 474 CO 0.04 -0.76 1.76 1.67 0.41 0.00 0.00 173.24 176.37 3fg6 n GLN 475 N -0.62 1.57 -0.64 12.44 7.27 -0.28 -1.09 117.38 136.02 3fg6 n GLN 475 Ca 0.08 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.72 3fg6 n GLN 475 Cb 0.51 -2.32 0.00 0.00 2.41 0.00 0.00 30.24 30.84 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 4.13 0.76 0.73 1.69 0.00 -1.26 -4.88 105.19 106.37 3fg6 n GLY 476 Ca 0.24 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.27 1.38 -1.92 1.61 4.76 -0.25 -4.82 118.16 116.64 3fg6 n LYS 477 Ca 0.00 -3.13 -0.42 0.00 -2.87 0.00 0.00 58.31 51.89 3fg6 n LYS 477 Cb 0.00 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.79 4.19 0.60 1.97 8.01 -1.26 -4.73 118.70 124.69 3fg6 s GLU 478 Ca 0.37 2.32 -0.19 0.00 0.01 0.00 0.00 54.97 57.48 3fg6 s GLU 478 Cb 0.37 -3.80 -0.03 0.00 -4.31 0.00 0.00 34.13 26.36 3fg6 s GLU 478 CO -0.08 -0.80 1.21 -2.30 0.01 0.00 0.00 175.26 173.30 3fg6 n PRO 479 N 6.34 1.21 -0.31 0.39 -0.02 -1.26 -4.83 135.00 136.53 3fg6 n PRO 479 Ca 0.17 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.29 3fg6 n PRO 479 Cb 0.41 -2.42 0.44 0.00 -0.02 0.00 0.00 33.50 31.91 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 0.79 0.64 -0.16 -1.45 -1.51 -2.01 -1.26 116.25 111.29 3fg6 h VAL 480 Ca -0.50 -0.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.72 3fg6 h VAL 480 Cb 1.34 0.05 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 3fg6 h VAL 480 CO 0.54 0.10 -0.20 -0.74 -1.23 0.00 0.00 177.57 176.03 3fg6 h HIS 481 N 0.54 0.30 0.81 5.19 -0.00 -2.01 -3.03 115.15 116.95 3fg6 h HIS 481 Ca 0.55 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.37 60.83 3fg6 h HIS 481 Cb 1.17 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 28.50 3fg6 h HIS 481 CO -0.00 0.47 -0.39 1.25 -0.00 0.00 0.00 177.93 179.26 3fg6 h LEU 482 N 0.25 -0.92 -0.90 0.26 5.85 -1.58 -3.11 115.31 115.17 3fg6 h LEU 482 Ca 0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3fg6 h LEU 482 Cb 0.51 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3fg6 h LEU 482 CO 0.03 -0.58 0.30 0.18 -0.34 0.00 0.00 178.44 178.03 3fg6 n LEU 483 N -5.35 0.35 0.15 2.25 4.32 -1.15 0.96 117.00 118.53 3fg6 n LEU 483 Ca -0.13 0.57 0.01 0.00 -0.02 0.00 0.00 56.01 56.44 3fg6 n LEU 483 Cb 0.43 -0.51 0.19 0.00 -1.62 0.00 0.00 43.42 41.91 3fg6 n LEU 483 CO 0.32 -0.69 0.53 0.28 -1.22 0.00 0.00 177.39 176.62 3fg6 h SER 484 N 0.00 0.00 0.30 -1.43 0.02 -1.46 -3.17 113.55 107.81 3fg6 h SER 484 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fg6 h SER 484 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3fg6 h SER 484 CO 0.00 0.55 0.00 0.18 -1.14 0.00 0.00 176.83 176.42 3fg6 n LEU 485 N -3.59 0.00 -4.26 5.07 7.99 0.27 -4.05 117.00 118.44 3fg6 n LEU 485 Ca -0.00 0.21 -0.43 0.00 -0.01 0.00 0.00 56.01 55.78 3fg6 n LEU 485 Cb 0.62 -0.21 -0.03 0.00 -0.11 0.00 0.00 43.42 43.68 3fg6 n LEU 485 CO 0.40 -0.06 0.49 -0.36 -1.51 0.00 0.00 177.39 176.35 3fg6 s PHE 486 N -2.43 3.93 -0.92 -1.77 0.40 -1.20 -4.99 117.98 111.00 3fg6 s PHE 486 Ca 0.24 -2.56 -0.24 0.00 -0.60 0.00 0.00 56.93 53.76 3fg6 s PHE 486 Cb 0.15 -3.62 -0.19 0.00 0.51 0.00 0.00 43.02 39.86 3fg6 s PHE 486 CO 0.31 -0.90 2.17 1.63 0.70 0.00 0.00 175.22 179.12 3fg6 n LYS 487 N 3.09 0.25 -0.32 0.44 4.76 -1.26 -3.41 118.16 121.72 3fg6 n LYS 487 Ca 0.18 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.38 3fg6 n LYS 487 Cb 0.41 -3.59 0.00 0.00 -1.84 0.00 0.00 35.03 30.01 3fg6 n LYS 487 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3fg6 n ASP 488 N 18.24 0.00 -4.81 4.39 8.00 -1.26 -4.97 116.55 136.14 3fg6 n ASP 488 Ca 0.42 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.53 3fg6 n ASP 488 Cb 0.44 -1.06 -0.06 0.00 -0.02 0.00 0.00 41.12 40.43 3fg6 n ASP 488 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3fg6 s LYS 489 N -0.24 4.16 0.57 -1.24 -2.85 -1.22 -5.07 119.74 113.84 3fg6 s LYS 489 Ca 0.00 0.68 -0.16 0.00 -1.00 0.00 0.00 55.97 55.49 3fg6 s LYS 489 Cb 0.00 -3.24 -0.05 0.00 -2.06 0.00 0.00 37.83 32.48 3fg6 s LYS 489 CO 0.00 0.64 1.04 -2.14 0.10 0.00 0.00 175.35 174.99 3fg6 s PRO 490 N -1.07 3.49 0.06 1.78 0.02 -1.26 -4.84 135.00 133.17 3fg6 s PRO 490 Ca 0.28 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.17 3fg6 s PRO 490 Cb -0.19 -2.06 -0.05 0.00 0.02 0.00 0.00 34.50 32.22 3fg6 s PRO 490 CO 0.18 -0.67 1.17 -1.17 -0.33 0.00 0.00 177.00 176.18 3fg6 s LEU 491 N -4.32 4.37 -0.11 -5.54 2.96 -1.14 -4.85 118.68 110.05 3fg6 s LEU 491 Ca 0.63 1.98 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 3fg6 s LEU 491 Cb -0.15 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.95 3fg6 s LEU 491 CO 0.34 -0.44 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.16 3fg6 s ILE 492 N 1.02 2.97 -0.16 6.68 1.01 0.23 -0.98 121.20 131.97 3fg6 s ILE 492 Ca 0.58 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.52 3fg6 s ILE 492 Cb -0.29 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.00 3fg6 s ILE 492 CO 0.29 0.54 -0.12 -0.63 0.00 0.00 0.00 174.94 175.03 3fg6 s ILE 493 N 0.07 1.52 0.63 2.92 1.01 0.10 -1.29 121.20 126.15 3fg6 s ILE 493 Ca -0.06 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.91 3fg6 s ILE 493 Cb -0.15 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 40.92 3fg6 s ILE 493 CO 0.05 0.34 0.87 -0.31 0.00 0.00 0.00 174.94 175.89 3fg6 s TYR 494 N 1.49 1.80 0.25 3.97 1.51 0.48 -1.49 117.35 125.35 3fg6 s TYR 494 Ca 0.03 -0.39 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 3fg6 s TYR 494 Cb -0.14 -2.68 0.28 0.00 -0.11 0.00 0.00 41.96 39.31 3fg6 s TYR 494 CO -0.10 -1.33 1.83 -1.00 -1.11 0.00 0.00 175.55 173.84 3fg6 h PRO 509 N -0.15 1.08 -5.54 -1.71 0.13 -1.98 -3.38 132.00 120.45 3fg6 h PRO 509 Ca -0.35 -0.18 -0.59 0.00 -0.87 0.00 0.00 66.00 64.01 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 0.42 0.86 -0.31 0.99 -0.23 0.00 0.00 178.00 179.74 3fg6 s THR 510 N -5.53 5.29 0.01 1.56 2.01 -1.26 -3.71 115.64 114.01 3fg6 s THR 510 Ca -0.11 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.49 3fg6 s THR 510 Cb 0.16 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3fg6 s THR 510 CO 0.82 0.39 -0.04 -0.13 -0.69 0.00 0.00 174.62 174.97 3fg6 s ARG 511 N 0.39 0.32 -0.12 4.92 0.52 -0.31 -4.95 118.95 119.73 3fg6 s ARG 511 Ca 0.18 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 55.09 3fg6 s ARG 511 Cb -0.13 -0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.13 3fg6 s ARG 511 CO 0.05 0.05 -0.18 -1.17 0.02 0.00 0.00 175.30 174.07 3fg6 s LEU 512 N -0.57 1.87 -0.08 2.53 2.96 -1.26 -0.38 118.68 123.75 3fg6 s LEU 512 Ca -0.03 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3fg6 s LEU 512 Cb -0.04 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.41 3fg6 s LEU 512 CO -0.00 0.05 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.57 3fg6 s PHE 513 N 0.86 2.72 -0.23 5.38 0.40 -0.15 -0.21 117.98 126.76 3fg6 s PHE 513 Ca -0.08 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.79 3fg6 s PHE 513 Cb -0.15 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 3fg6 s PHE 513 CO -0.00 0.02 0.12 -1.14 0.70 0.00 0.00 175.22 174.92 3fg6 s GLN 514 N -0.31 4.00 -0.24 0.44 0.74 0.20 -1.55 119.66 122.94 3fg6 s GLN 514 Ca 0.03 -0.31 -0.05 0.00 0.05 0.00 0.00 55.36 55.07 3fg6 s GLN 514 Cb -0.13 -3.43 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 3fg6 s GLN 514 CO 0.03 0.08 0.01 0.08 -0.55 0.00 0.00 175.29 174.94 3fg6 s VAL 515 N 0.95 3.73 -0.01 1.34 1.01 0.94 -0.54 120.40 127.81 3fg6 s VAL 515 Ca 0.06 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3fg6 s VAL 515 Cb -0.13 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3fg6 s VAL 515 CO 0.03 0.35 -0.03 -0.60 0.00 0.00 0.00 175.10 174.85 3fg6 s ARG 516 N 1.52 0.37 -0.07 2.72 3.52 -0.14 -2.47 118.95 124.40 3fg6 s ARG 516 Ca 0.05 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 3fg6 s ARG 516 Cb -0.15 -0.41 0.01 0.00 -1.56 0.00 0.00 34.95 32.84 3fg6 s ARG 516 CO -0.00 0.02 -0.13 0.50 -0.81 0.00 0.00 175.30 174.87 3fg6 s ARG 517 N 0.27 1.83 -0.05 5.12 3.52 -1.26 -0.10 118.95 128.28 3fg6 s ARG 517 Ca -0.03 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 3fg6 s ARG 517 Cb -0.06 -1.50 0.01 0.00 -1.56 0.00 0.00 34.95 31.83 3fg6 s ARG 517 CO -0.00 0.03 -0.13 0.54 -0.81 0.00 0.00 175.30 174.93 3fg6 s ASN 518 N 0.67 1.75 -1.30 -2.12 2.20 -1.26 -4.94 114.94 109.94 3fg6 s ASN 518 Ca -0.14 -0.29 -0.27 0.00 -0.94 0.00 0.00 52.86 51.22 3fg6 s ASN 518 Cb -0.16 -0.67 0.04 0.00 -2.00 0.00 0.00 41.25 38.46 3fg6 s ASN 518 CO 0.04 0.07 0.52 0.18 -2.94 0.00 0.00 177.10 174.97 3fg6 n LEU 519 N 3.55 -0.36 0.00 3.54 4.77 -1.26 -3.95 117.00 123.28 3fg6 n LEU 519 Ca -0.21 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 3fg6 n LEU 519 Cb 0.52 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3fg6 n LEU 519 CO 0.25 0.74 0.00 0.00 -1.33 0.00 0.00 177.39 177.06 3fg6 n ALA 520 N -4.97 0.00 -0.72 -1.18 0.00 -1.26 -5.02 120.51 107.36 3fg6 n ALA 520 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3fg6 n ALA 520 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3fg6 n ALA 520 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fg6 n SER 521 N 8.98 0.00 -4.16 0.00 3.41 -1.25 -4.70 113.62 115.90 3fg6 n SER 521 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 3fg6 n SER 521 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.56 -0.07 -1.33 2.07 -1.26 -5.04 121.20 116.14 3fg6 s ILE 522 Ca 0.00 -1.91 -0.30 0.00 -1.41 0.00 0.00 60.65 57.03 3fg6 s ILE 522 Cb 0.00 -1.72 -0.03 0.00 0.13 0.00 0.00 42.46 40.84 3fg6 s ILE 522 CO 0.00 -0.83 1.29 -0.89 -1.91 0.00 0.00 174.94 172.60 3fg6 s THR 523 N -3.71 4.09 -0.16 4.00 2.01 -1.26 -4.53 115.64 116.08 3fg6 s THR 523 Ca 0.13 1.41 -0.05 0.00 0.31 0.00 0.00 61.69 63.49 3fg6 s THR 523 Cb 0.06 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 3fg6 s THR 523 CO -0.04 -0.04 -0.00 -0.13 -0.69 0.00 0.00 174.62 173.72 3fg6 s ARG 524 N 2.67 3.78 -0.20 4.92 0.52 0.85 -2.89 118.95 128.61 3fg6 s ARG 524 Ca 0.58 -0.45 -0.02 0.00 -0.52 0.00 0.00 55.73 55.32 3fg6 s ARG 524 Cb -0.26 -3.02 -0.00 0.00 0.52 0.00 0.00 34.95 32.19 3fg6 s ARG 524 CO 0.22 0.26 -0.10 0.42 0.02 0.00 0.00 175.30 176.12 3fg6 s ILE 525 N 0.34 2.98 -0.09 1.52 1.01 -0.15 -0.96 121.20 125.85 3fg6 s ILE 525 Ca -0.01 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3fg6 s ILE 525 Cb -0.13 -2.32 0.02 0.00 0.01 0.00 0.00 42.46 40.03 3fg6 s ILE 525 CO 0.02 0.47 -0.11 -0.69 0.00 0.00 0.00 174.94 174.62 3fg6 s VAL 526 N 1.29 1.18 0.19 2.92 1.01 0.29 -0.72 120.40 126.56 3fg6 s VAL 526 Ca 0.03 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3fg6 s VAL 526 Cb -0.14 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 3fg6 s VAL 526 CO -0.05 0.38 1.43 -0.70 0.00 0.00 0.00 175.10 176.16 3fg6 s GLU 527 N 1.13 4.29 0.31 2.72 2.12 -0.56 0.63 118.70 129.35 3fg6 s GLU 527 Ca -0.05 2.22 0.04 0.00 0.36 0.00 0.00 54.97 57.53 3fg6 s GLU 527 Cb -0.14 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.02 3fg6 s GLU 527 CO -0.02 -0.43 0.05 0.14 -0.54 0.00 0.00 175.26 174.45 3fg6 s VAL 528 N 0.51 1.20 0.47 3.70 -7.23 0.70 -4.90 120.40 114.86 3fg6 s VAL 528 Ca 0.62 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.54 3fg6 s VAL 528 Cb -0.40 -2.74 -0.08 0.00 0.56 0.00 0.00 36.38 33.72 3fg6 s VAL 528 CO 0.37 -0.04 1.23 0.47 -0.31 0.00 0.00 175.10 176.82 3fg6 n ASP 529 N -0.66 2.27 -1.90 4.85 8.00 -1.26 -4.18 116.55 123.68 3fg6 n ASP 529 Ca -0.03 1.04 -0.10 0.00 0.71 0.00 0.00 54.79 56.42 3fg6 n ASP 529 Cb 0.66 -1.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.16 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 -0.57 2.75 -4.18 2.53 0.24 -1.26 -4.75 118.33 113.10 3fg6 n VAL 530 Ca 0.08 -1.33 -0.23 0.00 -2.04 0.00 0.00 64.34 60.83 3fg6 n VAL 530 Cb 0.41 -1.83 -0.06 0.00 -1.47 0.00 0.00 33.84 30.90 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 1.86 5.15 0.30 -1.34 1.11 -1.26 -4.69 116.67 117.79 3fg6 s ASP 531 Ca 0.48 -0.39 0.05 0.00 0.18 0.00 0.00 52.55 52.87 3fg6 s ASP 531 Cb 0.24 -1.19 0.47 0.00 1.07 0.00 0.00 42.92 43.51 3fg6 s ASP 531 CO -0.01 -0.02 1.74 0.00 1.18 0.00 0.00 175.17 178.06 3fg6 h ALA 532 N 1.70 1.16 -0.01 5.23 0.00 -1.81 -2.75 119.26 122.78 3fg6 h ALA 532 Ca -0.47 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.10 3fg6 h ALA 532 Cb 1.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3fg6 h ALA 532 CO 0.61 0.54 0.00 0.27 0.00 0.00 0.00 179.25 180.67 3fg6 n ASN 533 N -4.11 0.07 0.17 0.00 0.23 -1.26 -1.86 115.26 108.49 3fg6 n ASN 533 Ca -0.01 -1.96 0.11 0.00 -0.53 0.00 0.00 54.58 52.20 3fg6 n ASN 533 Cb 0.41 -0.01 0.10 0.00 -2.08 0.00 0.00 39.78 38.20 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 0.07 0.00 -4.24 0.53 0.02 -1.78 -3.37 113.55 104.78 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 0.02 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.71 3fg6 h SER 534 CO 0.00 0.02 0.32 -0.76 -1.14 0.00 0.00 176.83 175.27 3fg6 s LEU 535 N -5.88 3.11 -0.22 5.07 1.43 -0.78 -4.86 118.68 116.54 3fg6 s LEU 535 Ca 0.04 2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3fg6 s LEU 535 Cb 0.07 -4.56 0.10 0.00 0.03 0.00 0.00 46.19 41.83 3fg6 s LEU 535 CO 0.72 -2.39 0.47 0.21 0.23 0.00 0.00 176.35 175.59 3fg6 s ASN 536 N -2.63 -0.45 0.60 2.29 3.84 -1.25 -1.76 114.94 115.58 3fg6 s ASN 536 Ca 0.68 1.08 0.30 0.00 0.21 0.00 0.00 52.86 55.13 3fg6 s ASN 536 Cb -0.23 1.56 1.66 0.00 -0.55 0.00 0.00 41.25 43.69 3fg6 s ASN 536 CO 0.51 -0.23 2.04 0.28 -2.79 0.00 0.00 177.10 176.91 3fg6 h SER 537 N 8.13 0.00 1.55 -4.21 0.02 -1.79 -2.21 113.55 115.04 3fg6 h SER 537 Ca -0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.77 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 -0.46 -1.13 -1.14 0.00 0.00 176.83 174.23 3fg6 h ASN 538 N 0.00 0.00 -0.94 3.07 -0.73 -1.83 -0.76 115.58 114.39 3fg6 h ASN 538 Ca 0.10 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.64 3fg6 h ASN 538 Cb 0.65 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.13 3fg6 h ASN 538 CO -0.00 0.08 -0.49 -1.81 -0.37 0.00 0.00 177.43 174.83 3fg6 s ASP 539 N -5.93 4.23 0.03 1.15 1.01 -0.83 -3.46 116.67 112.86 3fg6 s ASP 539 Ca 0.04 -1.40 0.02 0.00 0.71 0.00 0.00 52.55 51.91 3fg6 s ASP 539 Cb 0.07 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 3fg6 s ASP 539 CO 0.72 -0.74 0.04 -0.69 0.21 0.00 0.00 175.17 174.71 3fg6 s VAL 540 N -2.76 4.40 0.04 -1.27 1.01 -1.03 -2.18 120.40 118.62 3fg6 s VAL 540 Ca 0.24 -0.63 0.07 0.00 0.00 0.00 0.00 61.98 61.66 3fg6 s VAL 540 Cb 0.03 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 3fg6 s VAL 540 CO 0.13 0.28 -0.19 -0.36 0.00 0.00 0.00 175.10 174.97 3fg6 s PHE 541 N -1.22 1.62 -0.21 5.22 0.08 -0.14 -0.04 117.98 123.29 3fg6 s PHE 541 Ca 0.24 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.91 3fg6 s PHE 541 Cb -0.12 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.39 3fg6 s PHE 541 CO 0.15 0.08 -0.12 0.08 -0.10 0.00 0.00 175.22 175.31 3fg6 s VAL 542 N -0.83 2.64 -0.46 -0.44 1.01 -0.60 -0.04 120.40 121.68 3fg6 s VAL 542 Ca 0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.05 3fg6 s VAL 542 Cb -0.09 -2.22 0.09 0.00 0.00 0.00 0.00 36.38 34.16 3fg6 s VAL 542 CO 0.02 0.40 0.36 -0.22 0.00 0.00 0.00 175.10 175.66 3fg6 s LEU 543 N 1.35 5.56 -0.17 3.92 0.20 0.48 -0.98 118.68 129.04 3fg6 s LEU 543 Ca 0.04 -1.51 -0.24 0.00 0.69 0.00 0.00 54.13 53.10 3fg6 s LEU 543 Cb -0.14 -2.10 -0.02 0.00 -0.43 0.00 0.00 46.19 43.49 3fg6 s LEU 543 CO -0.08 -0.65 0.76 -0.75 -0.29 0.00 0.00 176.35 175.35 3fg6 s LYS 544 N 1.53 4.28 0.36 1.98 2.20 0.49 -1.87 119.74 128.70 3fg6 s LYS 544 Ca 0.04 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 3fg6 s LYS 544 Cb -0.25 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 3fg6 s LYS 544 CO 0.04 -0.28 0.56 -0.51 -0.36 0.00 0.00 175.35 174.80 3fg6 s LEU 545 N 2.00 3.97 0.60 5.43 1.43 0.52 -1.16 118.68 131.47 3fg6 s LEU 545 Ca 0.35 0.41 0.36 0.00 -1.03 0.00 0.00 54.13 54.23 3fg6 s LEU 545 Cb -0.16 -3.28 1.88 0.00 0.03 0.00 0.00 46.19 44.66 3fg6 s LEU 545 CO 0.12 -0.34 2.20 -0.65 0.23 0.00 0.00 176.35 177.91 3fg6 h PRO 546 N 0.72 0.00 -0.30 1.29 0.11 -1.85 -2.59 132.00 129.38 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 0.00 178.00 178.43 3fg6 n GLN 547 N -3.31 1.47 -3.31 1.05 10.64 -1.26 -4.88 117.38 117.77 3fg6 n GLN 547 Ca -0.02 -0.61 -0.16 0.00 -1.83 0.00 0.00 57.00 54.38 3fg6 n GLN 547 Cb 0.17 -1.23 0.08 0.00 -0.86 0.00 0.00 30.24 28.40 3fg6 n GLN 547 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3fg6 n ASN 548 N 0.01 -2.54 -2.68 2.61 3.02 -0.98 -5.03 115.26 109.67 3fg6 n ASN 548 Ca 0.06 -0.55 -0.12 0.00 -0.03 0.00 0.00 54.58 53.94 3fg6 n ASN 548 Cb 0.20 -4.65 -0.02 0.00 -0.61 0.00 0.00 39.78 34.69 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 -2.87 -1.19 0.00 6.41 3.41 -1.25 -3.09 113.62 115.04 3fg6 n SER 549 Ca -0.23 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 3fg6 n SER 549 Cb 0.64 2.21 0.00 0.00 -0.26 0.00 0.00 64.21 66.80 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 -0.49 -0.52 3.19 5.00 0.00 -0.63 -0.35 105.19 111.38 3fg6 n GLY 550 Ca 0.00 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 3fg6 n GLY 550 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fg6 s TYR 551 N -3.00 1.68 -0.34 1.61 2.02 -0.78 -0.68 117.35 117.86 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 -1.08 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3fg6 s TYR 551 CO 0.00 -0.03 0.21 0.42 -1.57 0.00 0.00 175.55 174.58 3fg6 s ILE 552 N -0.44 4.94 -0.41 2.71 1.01 -0.13 -0.39 121.20 128.49 3fg6 s ILE 552 Ca 0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 3fg6 s ILE 552 Cb -0.07 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.87 3fg6 s ILE 552 CO -0.01 -0.02 0.28 0.86 0.00 0.00 0.00 174.94 176.05 3fg6 s TRP 553 N 1.66 3.25 -0.35 3.97 -0.00 0.94 -1.23 118.94 127.18 3fg6 s TRP 553 Ca 0.05 -0.87 -0.22 0.00 -0.00 0.00 0.00 56.10 55.05 3fg6 s TRP 553 Cb -0.18 -2.65 0.00 0.00 -0.00 0.00 0.00 33.47 30.64 3fg6 s TRP 553 CO 0.08 -0.67 0.73 0.08 -0.00 0.00 0.00 176.95 177.17 3fg6 s VAL 554 N 1.60 4.80 0.81 5.86 1.01 -0.38 -0.96 120.40 133.15 3fg6 s VAL 554 Ca 0.03 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 3fg6 s VAL 554 Cb -0.20 -4.15 0.08 0.00 0.00 0.00 0.00 36.38 32.12 3fg6 s VAL 554 CO 0.07 -0.35 1.12 -0.83 0.00 0.00 0.00 175.10 175.12 3fg6 s GLY 555 N 1.78 1.78 0.38 4.51 0.00 -0.93 -1.53 107.32 113.31 3fg6 s GLY 555 Ca 0.29 0.47 0.11 0.00 0.00 0.00 0.00 44.72 45.59 3fg6 s GLY 555 CO 0.15 0.85 1.87 0.50 0.00 0.00 0.00 173.10 176.47 3fg6 h LYS 556 N -1.24 0.12 -0.74 2.90 1.57 -1.51 -2.96 116.57 114.72 3fg6 h LYS 556 Ca -0.44 -0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 57.82 3fg6 h LYS 556 Cb 1.25 -0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 3fg6 h LYS 556 CO 0.48 0.38 0.04 0.41 -0.57 0.00 0.00 179.45 180.18 3fg6 n GLY 557 N -0.67 5.68 3.86 3.86 0.00 -0.41 -4.74 105.19 112.78 3fg6 n GLY 557 Ca -0.01 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.56 3.78 0.59 4.61 0.00 -1.12 -3.91 121.76 122.15 3fg6 s ALA 558 Ca 0.54 -0.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.96 3fg6 s ALA 558 Cb 0.45 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 3fg6 s ALA 558 CO 0.02 0.57 1.01 -1.54 0.00 0.00 0.00 175.76 175.81 3fg6 s SER 559 N -1.35 6.30 0.32 0.00 1.04 -1.26 -4.98 113.70 113.76 3fg6 s SER 559 Ca 0.25 1.42 0.02 0.00 0.48 0.00 0.00 55.95 58.11 3fg6 s SER 559 Cb -0.14 -2.46 0.54 0.00 0.10 0.00 0.00 66.02 64.05 3fg6 s SER 559 CO 0.13 -0.81 1.90 -0.61 0.98 0.00 0.00 173.24 174.83 3fg6 h GLN 560 N -0.08 0.73 -0.34 4.02 5.75 -2.00 -2.27 115.11 120.93 3fg6 h GLN 560 Ca -0.45 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 57.91 3fg6 h GLN 560 Cb 1.19 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.59 3fg6 h GLN 560 CO 0.62 0.62 0.08 0.93 -2.65 0.00 0.00 178.83 178.43 3fg6 h GLU 561 N 0.72 0.49 -0.14 1.69 3.07 -1.99 -1.45 114.58 116.97 3fg6 h GLU 561 Ca 0.17 -0.08 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3fg6 h GLU 561 Cb 0.18 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3fg6 h GLU 561 CO -0.01 0.46 -0.52 0.93 -1.40 0.00 0.00 179.01 178.47 3fg6 h GLU 562 N 0.48 0.39 -0.41 2.33 5.08 -1.78 -1.87 114.58 118.80 3fg6 h GLU 562 Ca 0.11 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 3fg6 h GLU 562 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3fg6 h GLU 562 CO -0.00 0.81 -0.23 1.49 -1.00 0.00 0.00 179.01 180.07 3fg6 h GLU 563 N 0.30 0.83 -0.69 2.33 4.81 -0.97 -1.72 114.58 119.46 3fg6 h GLU 563 Ca 0.01 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3fg6 h GLU 563 Cb 1.01 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3fg6 h GLU 563 CO 0.09 0.98 0.30 0.87 -0.73 0.00 0.00 179.01 180.51 3fg6 h LYS 564 N 0.72 1.02 -0.34 1.92 1.57 -1.10 -1.28 116.57 119.08 3fg6 h LYS 564 Ca 0.10 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 3fg6 h LYS 564 Cb 0.76 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 3fg6 h LYS 564 CO 0.06 0.83 0.17 0.78 -0.57 0.00 0.00 179.45 180.73 3fg6 h GLY 565 N 0.98 0.46 0.28 3.86 0.00 -1.19 -1.72 103.07 105.74 3fg6 h GLY 565 Ca 0.23 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.50 3fg6 h GLY 565 CO -0.02 0.09 -0.18 0.00 0.00 0.00 0.00 176.54 176.43 3fg6 h ALA 566 N 1.18 -0.02 0.00 3.60 0.00 -0.99 -1.00 119.26 122.04 3fg6 h ALA 566 Ca 0.14 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3fg6 h ALA 566 Cb 0.05 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3fg6 h ALA 566 CO -0.10 -0.59 -0.03 0.93 0.00 0.00 0.00 179.25 179.45 3fg6 h GLU 567 N -0.17 0.00 -0.05 0.00 5.08 -1.01 -2.14 114.58 116.29 3fg6 h GLU 567 Ca 0.13 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.40 3fg6 h GLU 567 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.63 3fg6 h GLU 567 CO -0.34 0.03 -0.33 -0.92 -1.00 0.00 0.00 179.01 176.45 3fg6 h TYR 568 N 0.00 0.43 -0.61 4.33 3.20 -0.27 -3.10 116.97 120.95 3fg6 h TYR 568 Ca -0.00 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3fg6 h TYR 568 Cb 0.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3fg6 h TYR 568 CO 0.00 0.95 0.35 0.28 -1.64 0.00 0.00 178.16 178.10 3fg6 h VAL 569 N -0.22 1.19 -0.73 1.81 2.07 -0.95 -2.36 116.25 117.06 3fg6 h VAL 569 Ca -0.03 -0.44 0.16 0.00 0.82 0.00 0.00 66.70 67.21 3fg6 h VAL 569 Cb 1.01 0.38 -0.12 0.00 -1.52 0.00 0.00 31.29 31.04 3fg6 h VAL 569 CO 0.07 0.20 0.06 0.00 0.02 0.00 0.00 177.57 177.91 3fg6 h ALA 570 N 1.17 0.81 0.00 1.67 0.00 -1.46 0.18 119.26 121.63 3fg6 h ALA 570 Ca 0.22 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.23 3fg6 h ALA 570 Cb 0.01 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3fg6 h ALA 570 CO -0.04 -0.40 -0.53 0.66 0.00 0.00 0.00 179.25 178.94 3fg6 h SER 571 N 0.15 0.00 0.15 0.00 4.64 -1.36 0.33 113.55 117.46 3fg6 h SER 571 Ca 0.40 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.53 3fg6 h SER 571 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3fg6 h SER 571 CO -0.60 0.53 -0.71 0.58 -0.87 0.00 0.00 176.83 175.76 3fg6 h VAL 572 N 0.00 1.35 -0.00 0.95 2.07 -0.53 -2.68 116.25 117.41 3fg6 h VAL 572 Ca -0.01 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.47 3fg6 h VAL 572 Cb 0.95 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3fg6 h VAL 572 CO 0.07 0.63 -0.05 0.18 0.02 0.00 0.00 177.57 178.41 3fg6 n LEU 573 N -3.88 0.51 -3.69 2.57 4.77 0.44 -4.93 117.00 112.80 3fg6 n LEU 573 Ca -0.05 -0.08 -0.26 0.00 -0.03 0.00 0.00 56.01 55.59 3fg6 n LEU 573 Cb 0.70 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.72 3fg6 n LEU 573 CO 0.49 0.09 -0.09 0.29 -1.33 0.00 0.00 177.39 176.84 3fg6 n LYS 574 N -0.76 -2.78 -4.79 3.23 5.02 -0.54 -4.98 118.16 112.57 3fg6 n LYS 574 Ca 0.18 0.53 -0.33 0.00 -2.02 0.00 0.00 58.31 56.68 3fg6 n LYS 574 Cb 0.24 -4.67 -0.16 0.00 -0.02 0.00 0.00 35.03 30.42 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 0.59 3.23 0.01 0.00 2.20 -1.18 -4.60 119.74 119.99 3fg6 s LYS 576 Ca -0.10 -0.52 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 3fg6 s LYS 576 Cb -0.16 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 3fg6 s LYS 576 CO 0.03 -1.61 0.17 0.95 -0.36 0.00 0.00 175.35 174.53 3fg6 s THR 577 N 3.94 5.27 -0.10 3.43 -4.23 -1.26 -1.61 115.64 121.08 3fg6 s THR 577 Ca 0.26 -0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3fg6 s THR 577 Cb -0.14 -3.48 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 3fg6 s THR 577 CO 0.15 0.29 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.22 3fg6 s LEU 578 N -2.02 3.03 -0.24 4.79 2.96 0.15 -4.93 118.68 122.42 3fg6 s LEU 578 Ca 0.28 -0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 3fg6 s LEU 578 Cb -0.13 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 3fg6 s LEU 578 CO 0.20 0.26 0.38 -0.60 -1.32 0.00 0.00 176.35 175.27 3fg6 s ARG 579 N -0.21 4.10 0.11 1.98 3.52 -1.26 -0.96 118.95 126.22 3fg6 s ARG 579 Ca 0.02 0.12 0.07 0.00 -0.13 0.00 0.00 55.73 55.81 3fg6 s ARG 579 Cb -0.13 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3fg6 s ARG 579 CO 0.03 -0.15 -0.17 0.96 -0.81 0.00 0.00 175.30 175.16 3fg6 s ILE 580 N 1.67 1.48 0.10 4.11 -4.36 -0.36 -4.97 121.20 118.86 3fg6 s ILE 580 Ca 0.17 -1.57 0.05 0.00 -0.26 0.00 0.00 60.65 59.04 3fg6 s ILE 580 Cb -0.15 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.06 3fg6 s ILE 580 CO 0.09 -0.22 0.00 -1.58 0.24 0.00 0.00 174.94 173.47 3fg6 s GLN 581 N -2.15 2.54 0.08 0.37 0.74 -1.26 -1.24 119.66 118.74 3fg6 s GLN 581 Ca 0.06 -0.85 -0.33 0.00 0.05 0.00 0.00 55.36 54.29 3fg6 s GLN 581 Cb -0.08 -2.53 -0.12 0.00 1.10 0.00 0.00 33.01 31.37 3fg6 s GLN 581 CO 0.04 0.54 1.74 -1.91 -0.55 0.00 0.00 175.29 175.14 3fg6 n GLU 582 N 0.52 2.37 0.00 1.67 2.13 -0.58 -0.85 120.64 125.89 3fg6 n GLU 582 Ca -0.11 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.57 3fg6 n GLU 582 Cb 0.52 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.54 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 3.94 3.31 0.91 8.31 0.00 -1.26 -4.86 105.19 115.53 3fg6 n GLY 583 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.52 1.93 -2.21 1.61 4.71 -0.03 -5.04 120.64 120.09 3fg6 n GLU 584 Ca 0.00 -3.08 -0.41 0.00 -0.01 0.00 0.00 57.16 53.65 3fg6 n GLU 584 Cb 0.00 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 28.64 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 -3.14 4.38 1.05 3.49 8.01 -1.18 -4.50 118.70 126.82 3fg6 s GLU 585 Ca 0.42 2.06 -0.15 0.00 0.01 0.00 0.00 54.97 57.31 3fg6 s GLU 585 Cb 0.38 -3.19 0.21 0.00 -4.31 0.00 0.00 34.13 27.22 3fg6 s GLU 585 CO 0.01 -0.26 1.12 -1.25 0.01 0.00 0.00 175.26 174.89 3fg6 s PRO 586 N -0.13 0.03 0.31 0.39 0.04 -1.26 -4.97 135.00 129.41 3fg6 s PRO 586 Ca 0.57 0.21 0.24 0.00 0.04 0.00 0.00 61.00 62.06 3fg6 s PRO 586 Cb -0.37 -1.72 0.44 0.00 0.04 0.00 0.00 34.50 32.90 3fg6 s PRO 586 CO 0.38 -2.93 1.56 1.49 0.04 0.00 0.00 177.00 177.55 3fg6 h GLU 587 N -2.03 0.00 0.00 4.56 4.57 -2.02 -3.20 114.58 116.46 3fg6 h GLU 587 Ca -0.50 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 3fg6 h GLU 587 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3fg6 h GLU 587 CO 0.50 0.00 -0.12 1.49 -1.18 0.00 0.00 179.01 179.70 3fg6 h GLU 588 N 0.00 0.00 -0.62 1.92 4.81 -1.99 -3.05 114.58 115.65 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 0.89 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3fg6 h GLU 588 CO 0.00 0.12 0.34 0.35 -0.73 0.00 0.00 179.01 179.10 3fg6 h PHE 589 N 0.00 0.85 -0.19 0.92 3.04 -1.94 -2.18 116.94 117.44 3fg6 h PHE 589 Ca -0.00 -0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.76 3fg6 h PHE 589 Cb 0.97 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.21 3fg6 h PHE 589 CO 0.00 0.61 -0.57 -1.49 -2.02 0.00 0.00 178.31 174.83 3fg6 h TRP 590 N 0.84 0.74 -0.42 0.41 4.06 -1.70 -2.98 115.95 116.89 3fg6 h TRP 590 Ca 0.22 -0.27 -0.01 0.00 2.06 0.00 0.00 58.89 60.89 3fg6 h TRP 590 Cb 0.04 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.04 3fg6 h TRP 590 CO -0.01 1.02 0.21 -0.91 -3.56 0.00 0.00 178.44 175.19 3fg6 h ASN 591 N 0.44 0.51 1.43 -3.49 4.21 -1.41 0.33 115.58 117.61 3fg6 h ASN 591 Ca 0.00 -0.04 -0.07 0.00 1.21 0.00 0.00 56.30 57.40 3fg6 h ASN 591 Cb 1.13 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 3fg6 h ASN 591 CO 0.11 0.43 -0.36 0.28 -1.29 0.00 0.00 177.43 176.61 3fg6 h SER 592 N 0.58 0.00 0.00 5.81 0.02 -1.28 -2.66 113.55 116.02 3fg6 h SER 592 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3fg6 h SER 592 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3fg6 h SER 592 CO -0.02 0.36 -0.01 0.18 -1.14 0.00 0.00 176.83 176.19 3fg6 n LEU 593 N -3.25 1.33 -0.92 5.07 4.77 -1.03 -4.94 117.00 118.03 3fg6 n LEU 593 Ca 0.02 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 55.53 3fg6 n LEU 593 Cb 0.63 -0.01 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 1.17 0.75 0.00 -0.72 0.00 -0.93 -4.26 105.19 101.19 3fg6 n GLY 594 Ca 0.19 -0.55 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 2.63 3.68 -0.02 0.00 0.11 -5.00 105.19 105.88 3fg6 n GLY 595 Ca -0.00 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3fg6 n GLY 595 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fg6 s LYS 596 N -4.00 4.34 0.37 1.61 2.20 -1.26 -4.57 119.74 118.43 3fg6 s LYS 596 Ca 0.00 1.09 0.02 0.00 -0.36 0.00 0.00 55.97 56.71 3fg6 s LYS 596 Cb 0.00 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3fg6 s LYS 596 CO 0.00 -0.28 0.06 1.63 -0.36 0.00 0.00 175.35 176.40 3fg6 n LYS 597 N 4.99 0.83 -3.11 4.03 5.02 -1.26 -5.10 118.16 123.56 3fg6 n LYS 597 Ca 0.05 -2.89 -0.39 0.00 -2.02 0.00 0.00 58.31 53.05 3fg6 n LYS 597 Cb 0.49 1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 36.61 3fg6 n LYS 597 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg6 s ASP 598 N -3.14 6.86 0.46 4.39 -0.00 -1.26 -4.82 116.67 119.16 3fg6 s ASP 598 Ca 0.08 1.03 0.04 0.00 -0.00 0.00 0.00 52.55 53.71 3fg6 s ASP 598 Cb 0.00 -2.37 0.04 0.00 -0.00 0.00 0.00 42.92 40.59 3fg6 s ASP 598 CO 0.06 -0.14 0.36 0.00 -0.00 0.00 0.00 175.17 175.45 3fg6 n TYR 599 N 4.11 -0.81 -1.95 4.23 0.18 -1.26 -4.38 117.16 117.28 3fg6 n TYR 599 Ca -0.02 -1.95 -0.43 0.00 1.88 0.00 0.00 57.90 57.38 3fg6 n TYR 599 Cb 0.51 -0.38 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 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 -3.92 3.85 -0.18 -3.48 -0.21 -0.72 -4.84 119.66 110.16 3fg6 s GLN 600 Ca 0.28 1.98 -0.29 0.00 0.02 0.00 0.00 55.36 57.35 3fg6 s GLN 600 Cb -0.02 -4.09 0.12 0.00 1.00 0.00 0.00 33.01 30.02 3fg6 s GLN 600 CO 0.18 -1.25 0.99 -0.08 -2.12 0.00 0.00 175.29 173.01 3fg6 s THR 601 N 5.24 0.00 -0.03 -0.19 -1.32 -1.26 -2.31 115.64 115.77 3fg6 s THR 601 Ca 0.78 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.98 3fg6 s THR 601 Cb -0.31 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 69.78 3fg6 s THR 601 CO 0.32 0.00 0.85 -0.94 -2.21 0.00 0.00 174.62 172.64 3fg6 s SER 602 N -0.85 -0.43 0.32 8.08 1.04 -1.26 -4.66 113.70 115.93 3fg6 s SER 602 Ca -0.01 0.20 0.07 0.00 0.48 0.00 0.00 55.95 56.68 3fg6 s SER 602 Cb -0.01 0.41 0.89 0.00 0.10 0.00 0.00 66.02 67.42 3fg6 s SER 602 CO 0.00 -0.60 1.59 -0.65 0.98 0.00 0.00 173.24 174.56 3fg6 h PRO 603 N 2.27 0.04 0.00 4.02 0.11 -2.01 0.14 132.00 136.57 3fg6 h PRO 603 Ca -0.23 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.77 3fg6 h PRO 603 Cb 1.22 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3fg6 h PRO 603 CO 0.33 0.03 -0.85 1.25 -0.21 0.00 0.00 178.00 178.54 3fg6 h LEU 604 N 0.04 0.00 -0.11 2.35 5.85 -1.96 -3.18 115.31 118.30 3fg6 h LEU 604 Ca 0.65 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.32 3fg6 h LEU 604 Cb 1.46 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3fg6 h LEU 604 CO -0.84 0.42 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.47 3fg6 h LEU 605 N 0.00 0.31 -1.83 2.25 3.38 -1.22 -3.17 115.31 115.03 3fg6 h LEU 605 Ca -0.06 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3fg6 h LEU 605 Cb 1.38 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3fg6 h LEU 605 CO 0.04 0.76 0.00 -0.33 0.09 0.00 0.00 178.44 179.01 3fg6 h GLU 606 N -0.13 0.00 -5.21 1.13 5.08 -0.96 -3.29 114.58 111.21 3fg6 h GLU 606 Ca 0.01 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.75 3fg6 h GLU 606 Cb 0.69 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.77 3fg6 h GLU 606 CO 0.03 0.00 -0.56 -0.08 -1.00 0.00 0.00 179.01 177.40 3fg6 s THR 607 N -3.71 4.81 -1.85 1.13 -1.32 -1.20 -2.01 115.64 111.49 3fg6 s THR 607 Ca -0.02 -0.02 0.05 0.00 -1.21 0.00 0.00 61.69 60.49 3fg6 s THR 607 Cb 0.09 -3.19 0.14 0.00 -1.51 0.00 0.00 72.50 68.03 3fg6 s THR 607 CO 0.30 0.43 0.85 1.67 -2.21 0.00 0.00 174.62 175.66 3fg6 n GLN 608 N 3.83 0.14 -1.49 7.08 7.27 -1.25 -4.84 117.38 128.12 3fg6 n GLN 608 Ca -0.16 0.06 -0.41 0.00 0.07 0.00 0.00 57.00 56.56 3fg6 n GLN 608 Cb 0.52 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.68 3fg6 n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3fg6 n ALA 609 N -1.08 -1.09 -0.42 1.69 0.00 -1.26 -4.93 120.51 113.43 3fg6 n ALA 609 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fg6 n ALA 609 Cb 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3fg6 n ALA 609 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3fg6 n GLU 610 N 0.41 -0.03 -0.16 0.00 0.28 -1.26 -4.84 120.64 115.04 3fg6 n GLU 610 Ca 0.11 -0.48 -0.04 0.00 -0.16 0.00 0.00 57.16 56.60 3fg6 n GLU 610 Cb 0.40 -0.79 0.06 0.00 1.43 0.00 0.00 31.44 32.54 3fg6 n GLU 610 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3fg6 h ASP 611 N 0.00 0.25 -3.27 -1.84 3.32 -2.00 -3.27 116.42 109.61 3fg6 h ASP 611 Ca 0.00 0.05 -0.62 0.00 0.02 0.00 0.00 57.03 56.48 3fg6 h ASP 611 Cb 0.33 0.01 -0.42 0.00 0.22 0.00 0.00 39.33 39.47 3fg6 h ASP 611 CO 0.00 0.17 -0.60 -1.00 -1.72 0.00 0.00 179.24 176.09 3fg6 s HIS 612 N -6.13 3.37 0.64 4.55 3.76 -1.26 -5.11 115.29 115.11 3fg6 s HIS 612 Ca -0.13 -3.25 -0.16 0.00 -0.15 0.00 0.00 55.06 51.37 3fg6 s HIS 612 Cb 0.14 -2.63 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 3fg6 s HIS 612 CO 0.73 -0.59 1.13 -1.25 -0.85 0.00 0.00 174.74 173.91 3fg6 s PRO 613 N -1.18 2.85 0.30 8.40 0.04 -1.24 -4.76 135.00 139.42 3fg6 s PRO 613 Ca 0.24 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3fg6 s PRO 613 Cb -0.08 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 3fg6 s PRO 613 CO -0.14 -1.23 1.54 -0.35 0.04 0.00 0.00 177.00 176.86 3fg6 n PRO 614 N -2.17 2.57 -4.86 0.56 -0.04 -1.26 -4.89 135.00 124.91 3fg6 n PRO 614 Ca 0.11 0.91 -0.28 0.00 -0.04 0.00 0.00 63.50 64.21 3fg6 n PRO 614 Cb 0.51 -2.66 -0.17 0.00 -0.04 0.00 0.00 33.50 31.15 3fg6 n PRO 614 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3fg6 s ARG 615 N -0.81 2.24 -0.11 0.54 0.52 -0.89 -5.01 118.95 115.43 3fg6 s ARG 615 Ca 0.62 -0.62 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3fg6 s ARG 615 Cb -0.52 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.16 3fg6 s ARG 615 CO 0.52 0.11 -0.11 -1.17 0.02 0.00 0.00 175.30 174.67 3fg6 s LEU 616 N 0.47 2.89 0.05 2.53 2.96 -1.26 -1.08 118.68 125.25 3fg6 s LEU 616 Ca -0.15 -0.21 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 3fg6 s LEU 616 Cb -0.16 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 3fg6 s LEU 616 CO 0.06 0.24 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.79 3fg6 s TYR 617 N -0.07 1.98 -0.33 5.38 1.51 0.11 0.05 117.35 125.97 3fg6 s TYR 617 Ca -0.01 -0.39 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 3fg6 s TYR 617 Cb -0.14 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.54 3fg6 s TYR 617 CO 0.03 0.12 0.19 0.20 -1.11 0.00 0.00 175.55 174.99 3fg6 s GLY 618 N -1.28 1.91 -0.28 0.71 0.00 0.35 -1.05 107.32 107.69 3fg6 s GLY 618 Ca 0.09 -1.44 -0.08 0.00 0.00 0.00 0.00 44.72 43.29 3fg6 s GLY 618 CO 0.02 0.75 0.09 0.00 0.00 0.00 0.00 173.10 173.96 3fg6 s SER 620 N 1.58 0.32 -0.05 0.00 0.15 -1.00 -1.66 113.70 113.03 3fg6 s SER 620 Ca 0.05 -1.00 0.11 0.00 0.70 0.00 0.00 55.95 55.80 3fg6 s SER 620 Cb -0.16 0.28 0.19 0.00 -1.71 0.00 0.00 66.02 64.62 3fg6 s SER 620 CO 0.04 -0.70 1.09 -0.46 1.20 0.00 0.00 173.24 174.41 3fg6 n ASN 621 N -0.02 0.89 0.16 5.45 2.04 -1.26 -1.29 115.26 121.23 3fg6 n ASN 621 Ca -0.10 -2.43 0.12 0.00 -0.44 0.00 0.00 54.58 51.73 3fg6 n ASN 621 Cb 0.62 -0.30 0.58 0.00 -2.53 0.00 0.00 39.78 38.15 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 0.30 0.00 -0.38 -3.83 2.10 -1.97 -0.39 116.57 112.40 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 1.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 3fg6 h LYS 622 CO 0.02 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 177.72 3fg6 n THR 623 N -2.34 0.50 0.00 0.07 -2.24 -1.26 -5.00 114.28 104.01 3fg6 n THR 623 Ca 0.00 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3fg6 n THR 623 Cb 0.14 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 1.43 2.15 3.80 3.38 0.00 -0.16 -4.99 105.19 110.81 3fg6 n GLY 624 Ca 0.19 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 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 3.50 -0.42 1.61 1.81 -1.26 -4.92 118.95 119.27 3fg6 s ARG 625 Ca 0.00 1.28 -0.25 0.00 -1.72 0.00 0.00 55.73 55.04 3fg6 s ARG 625 Cb 0.00 -2.05 0.02 0.00 -0.45 0.00 0.00 34.95 32.47 3fg6 s ARG 625 CO 0.00 -0.67 0.90 0.12 -0.68 0.00 0.00 175.30 174.97 3fg6 s PHE 626 N -2.24 3.00 -0.09 -0.53 5.36 -1.26 -4.34 117.98 117.88 3fg6 s PHE 626 Ca 0.65 0.53 0.04 0.00 -0.96 0.00 0.00 56.93 57.20 3fg6 s PHE 626 Cb -0.17 -3.79 -0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3fg6 s PHE 626 CO 0.30 -0.96 -0.24 0.14 -1.46 0.00 0.00 175.22 173.00 3fg6 s VAL 627 N 3.57 2.02 -0.25 3.12 -7.23 -0.41 -4.99 120.40 116.23 3fg6 s VAL 627 Ca 0.37 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.42 3fg6 s VAL 627 Cb -0.11 -1.74 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3fg6 s VAL 627 CO 0.23 0.55 0.16 -0.63 -0.31 0.00 0.00 175.10 175.10 3fg6 s ILE 628 N 0.27 5.29 0.02 -0.62 1.01 -1.26 -2.39 121.20 123.53 3fg6 s ILE 628 Ca -0.16 0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.69 3fg6 s ILE 628 Cb -0.17 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 3fg6 s ILE 628 CO 0.08 0.32 -0.14 -1.83 0.00 0.00 0.00 174.94 173.37 3fg6 s GLU 629 N 1.28 0.98 0.27 2.79 -1.05 -0.56 -4.95 118.70 117.45 3fg6 s GLU 629 Ca 0.07 -0.67 -0.29 0.00 -0.15 0.00 0.00 54.97 53.93 3fg6 s GLU 629 Cb -0.14 -0.98 -0.09 0.00 -0.44 0.00 0.00 34.13 32.48 3fg6 s GLU 629 CO 0.06 0.25 0.95 -2.00 0.95 0.00 0.00 175.26 175.48 3fg6 s GLU 630 N -0.88 4.77 -0.17 -4.83 2.12 -1.26 0.13 118.70 118.58 3fg6 s GLU 630 Ca 0.03 1.47 -0.29 0.00 0.36 0.00 0.00 54.97 56.54 3fg6 s GLU 630 Cb -0.07 -3.15 -0.00 0.00 0.26 0.00 0.00 34.13 31.17 3fg6 s GLU 630 CO 0.01 0.43 1.10 0.42 -0.54 0.00 0.00 175.26 176.67 3fg6 s ILE 631 N -1.29 4.57 0.31 -3.70 -1.09 0.11 -4.84 121.20 115.26 3fg6 s ILE 631 Ca 0.44 1.88 -0.19 0.00 -2.23 0.00 0.00 60.65 60.55 3fg6 s ILE 631 Cb -0.25 -4.21 -0.09 0.00 -1.58 0.00 0.00 42.46 36.33 3fg6 s ILE 631 CO 0.30 -0.11 0.80 -2.16 -1.23 0.00 0.00 174.94 172.55 3fg6 s PRO 632 N 2.88 4.22 2.61 2.79 0.04 -1.26 -4.70 135.00 141.58 3fg6 s PRO 632 Ca 0.49 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3fg6 s PRO 632 Cb -0.18 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.76 3fg6 s PRO 632 CO 0.12 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.80 3fg6 n GLY 633 N 0.11 -0.81 3.76 0.56 0.00 -1.26 -4.69 105.19 102.86 3fg6 n GLY 633 Ca 0.02 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 4.41 0.18 1.61 0.41 -1.26 -5.04 118.70 119.01 3fg6 s GLU 634 Ca 0.00 2.13 0.09 0.00 -0.41 0.00 0.00 54.97 56.78 3fg6 s GLU 634 Cb 0.00 -3.10 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 3fg6 s GLU 634 CO 0.00 -0.13 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.97 3fg6 s PHE 635 N -1.01 2.67 0.34 1.61 -0.12 -1.26 -4.90 117.98 115.29 3fg6 s PHE 635 Ca 0.49 -0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 3fg6 s PHE 635 Cb -0.38 -1.30 -0.03 0.00 -0.63 0.00 0.00 43.02 40.69 3fg6 s PHE 635 CO 0.49 0.52 0.26 0.25 -0.05 0.00 0.00 175.22 176.69 3fg6 n THR 636 N -0.02 0.00 -0.31 -4.49 -2.24 -1.26 -4.75 114.28 101.21 3fg6 n THR 636 Ca -0.10 -2.38 0.10 0.00 -2.27 0.00 0.00 64.05 59.39 3fg6 n THR 636 Cb 0.56 1.15 0.27 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.58 0.00 -0.78 4.15 -1.91 -1.13 115.11 116.02 3fg6 h GLN 637 Ca -0.24 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.14 3fg6 h GLN 637 Cb 1.18 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.74 3fg6 h GLN 637 CO 0.36 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.39 3fg6 n ASP 638 N -4.89 0.00 0.17 -0.69 9.92 -1.26 -1.82 116.55 117.98 3fg6 n ASP 638 Ca 0.20 0.46 0.13 0.00 -0.53 0.00 0.00 54.79 55.05 3fg6 n ASP 638 Cb 0.52 -0.48 0.40 0.00 -0.64 0.00 0.00 41.12 40.91 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 -2.47 -2.24 3.32 -1.61 -3.42 116.42 109.99 3fg6 h ASP 639 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3fg6 h ASP 639 Cb 0.30 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 1.22 -0.76 -1.72 0.00 0.00 179.24 177.98 3fg6 s LEU 640 N -5.27 3.37 -0.40 1.55 1.43 -0.76 -4.92 118.68 113.68 3fg6 s LEU 640 Ca 0.07 0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 53.32 3fg6 s LEU 640 Cb 0.09 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 3fg6 s LEU 640 CO 0.57 -1.95 1.94 0.00 0.23 0.00 0.00 176.35 177.14 3fg6 s ALA 641 N 7.25 2.54 0.61 4.21 0.00 -1.26 -4.84 121.76 130.27 3fg6 s ALA 641 Ca 0.61 0.10 0.27 0.00 0.00 0.00 0.00 51.96 52.93 3fg6 s ALA 641 Cb -0.13 -4.13 1.20 0.00 0.00 0.00 0.00 23.12 20.06 3fg6 s ALA 641 CO 0.24 -3.17 1.62 1.49 0.00 0.00 0.00 175.76 175.94 3fg6 h GLU 642 N 14.47 0.00 -0.23 0.00 4.81 -1.93 -1.60 114.58 130.11 3fg6 h GLU 642 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3fg6 h GLU 642 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3fg6 h GLU 642 CO 1.08 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.96 3fg6 n ASP 643 N -3.38 3.19 -0.80 1.04 5.75 -1.26 -2.86 116.55 118.22 3fg6 n ASP 643 Ca 0.13 -2.57 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 3fg6 n ASP 643 Cb 1.00 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 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 -0.26 0.14 -4.45 -1.12 10.43 -0.60 -3.78 116.55 116.91 3fg6 n ASP 644 Ca 0.15 -0.75 -0.33 0.00 2.57 0.00 0.00 54.79 56.44 3fg6 n ASP 644 Cb 0.64 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 43.46 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 -1.66 3.02 -0.11 2.53 1.01 -0.67 -1.83 120.40 122.69 3fg6 s VAL 645 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3fg6 s VAL 645 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3fg6 s VAL 645 CO 0.00 0.58 -0.16 -0.04 0.00 0.00 0.00 175.10 175.48 3fg6 s MET 646 N -0.54 3.16 -0.27 2.72 1.00 0.39 0.04 119.30 125.80 3fg6 s MET 646 Ca 0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 55.69 54.91 3fg6 s MET 646 Cb -0.12 -2.50 -0.05 0.00 0.00 0.00 0.00 34.83 32.17 3fg6 s MET 646 CO 0.01 0.26 0.17 -0.51 0.00 0.00 0.00 175.02 174.96 3fg6 s LEU 647 N 0.19 3.94 -0.36 -0.03 1.43 -0.21 -0.00 118.68 123.64 3fg6 s LEU 647 Ca -0.10 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3fg6 s LEU 647 Cb -0.16 -2.09 0.08 0.00 0.03 0.00 0.00 46.19 44.05 3fg6 s LEU 647 CO 0.06 -0.04 0.11 -0.22 0.23 0.00 0.00 176.35 176.49 3fg6 s LEU 648 N 1.69 4.63 -0.71 1.79 2.96 0.02 0.09 118.68 129.15 3fg6 s LEU 648 Ca 0.07 -1.64 -0.25 0.00 -0.22 0.00 0.00 54.13 52.09 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 0.10 -0.41 1.15 -0.62 -1.32 0.00 0.00 176.35 175.25 3fg6 s ASP 649 N 1.55 6.17 -0.08 3.68 2.15 -0.24 -0.72 116.67 129.18 3fg6 s ASP 649 Ca 0.02 -0.70 0.10 0.00 0.43 0.00 0.00 52.55 52.40 3fg6 s ASP 649 Cb -0.21 -2.50 0.43 0.00 -0.30 0.00 0.00 42.92 40.34 3fg6 s ASP 649 CO -0.02 -1.67 1.26 0.00 -0.17 0.00 0.00 175.17 174.57 3fg6 n ALA 650 N 8.66 2.94 0.00 3.66 0.00 0.28 -2.10 120.51 133.95 3fg6 n ALA 650 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 3fg6 n ALA 650 Cb 0.48 -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 0.53 0.00 0.53 0.00 -0.00 -1.26 -3.99 117.44 113.25 3fg6 n TRP 651 Ca 0.15 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.76 3fg6 n TRP 651 Cb 0.61 0.00 0.45 0.00 -0.00 0.00 0.00 31.31 32.37 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 -3.58 5.87 0.28 -1.26 -4.83 120.64 117.26 3fg6 n GLU 652 Ca 0.00 0.29 -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 -3.16 0.86 -0.18 3.44 0.74 -1.26 -4.31 119.66 115.79 3fg6 s GLN 653 Ca 0.07 0.53 0.00 0.00 0.05 0.00 0.00 55.36 56.01 3fg6 s GLN 653 Cb 0.11 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.64 3fg6 s GLN 653 CO 0.42 -0.20 -0.17 0.42 -0.55 0.00 0.00 175.29 175.21 3fg6 s ILE 654 N -0.50 2.38 -0.15 -2.34 1.01 -0.74 -0.56 121.20 120.30 3fg6 s ILE 654 Ca -0.04 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3fg6 s ILE 654 Cb -0.02 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 3fg6 s ILE 654 CO 0.04 0.52 0.13 -0.36 0.00 0.00 0.00 174.94 175.27 3fg6 s PHE 655 N 1.17 3.52 -0.35 3.97 0.08 0.10 -0.90 117.98 125.56 3fg6 s PHE 655 Ca 0.02 0.45 -0.02 0.00 0.12 0.00 0.00 56.93 57.49 3fg6 s PHE 655 Cb -0.14 -2.01 0.08 0.00 -0.57 0.00 0.00 43.02 40.38 3fg6 s PHE 655 CO -0.08 0.58 0.10 0.42 -0.10 0.00 0.00 175.22 176.14 3fg6 s ILE 656 N -0.55 3.11 -0.28 0.64 1.01 -0.47 -0.80 121.20 123.86 3fg6 s ILE 656 Ca 0.12 -1.75 -0.18 0.00 0.00 0.00 0.00 60.65 58.85 3fg6 s ILE 656 Cb -0.12 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 3fg6 s ILE 656 CO 0.02 -0.41 0.53 0.86 0.00 0.00 0.00 174.94 175.94 3fg6 s TRP 657 N 1.18 3.24 -0.31 3.97 -0.00 0.99 0.02 118.94 128.04 3fg6 s TRP 657 Ca 0.02 0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 56.56 3fg6 s TRP 657 Cb -0.21 -2.80 -0.03 0.00 -0.00 0.00 0.00 33.47 30.43 3fg6 s TRP 657 CO -0.03 -0.35 0.21 0.42 -0.00 0.00 0.00 176.95 177.19 3fg6 s ILE 658 N 2.37 5.19 0.61 5.86 1.01 0.92 -0.46 121.20 136.69 3fg6 s ILE 658 Ca 0.21 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.61 3fg6 s ILE 658 Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3fg6 s ILE 658 CO 0.10 0.11 1.09 -0.83 0.00 0.00 0.00 174.94 175.41 3fg6 s GLY 659 N 1.72 2.24 0.42 6.18 0.00 -0.76 -2.07 107.32 115.05 3fg6 s GLY 659 Ca 0.06 0.54 0.28 0.00 0.00 0.00 0.00 44.72 45.61 3fg6 s GLY 659 CO 0.10 0.88 1.87 0.07 0.00 0.00 0.00 173.10 176.02 3fg6 h LYS 660 N 0.45 0.00 -0.00 2.90 2.10 -1.84 -2.85 116.57 117.32 3fg6 h LYS 660 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3fg6 h LYS 660 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3fg6 h LYS 660 CO 0.56 0.00 -0.09 -0.25 -2.00 0.00 0.00 179.45 177.67 3fg6 n ASP 661 N -2.50 2.25 -4.82 7.07 8.00 -1.15 -5.06 116.55 120.34 3fg6 n ASP 661 Ca -0.02 -3.23 -0.33 0.00 0.71 0.00 0.00 54.79 51.92 3fg6 n ASP 661 Cb 0.07 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.65 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 -2.94 3.07 0.86 2.24 0.00 -1.08 -4.61 121.76 119.30 3fg6 s ALA 662 Ca 0.33 0.38 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3fg6 s ALA 662 Cb 0.30 -3.12 0.11 0.00 0.00 0.00 0.00 23.12 20.41 3fg6 s ALA 662 CO 0.01 0.15 1.15 -0.80 0.00 0.00 0.00 175.76 176.28 3fg6 s ASN 663 N -2.16 3.35 0.27 0.00 -0.87 -1.26 -4.95 114.94 109.32 3fg6 s ASN 663 Ca 0.61 2.19 0.07 0.00 -1.57 0.00 0.00 52.86 54.16 3fg6 s ASN 663 Cb -0.10 -2.57 0.35 0.00 -0.02 0.00 0.00 41.25 38.92 3fg6 s ASN 663 CO 0.14 -2.82 1.62 -0.33 -2.57 0.00 0.00 177.10 173.14 3fg6 h GLU 664 N -1.47 0.16 -0.33 -0.60 4.39 -2.00 -2.89 114.58 111.84 3fg6 h GLU 664 Ca -0.44 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 59.02 3fg6 h GLU 664 Cb 1.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3fg6 h GLU 664 CO 0.44 0.67 -0.39 -0.39 -1.16 0.00 0.00 179.01 178.18 3fg6 h VAL 665 N 0.12 1.28 -0.60 3.13 -1.51 -1.99 -1.78 116.25 114.91 3fg6 h VAL 665 Ca -0.00 -1.56 0.04 0.00 -1.23 0.00 0.00 66.70 63.95 3fg6 h VAL 665 Cb 1.01 1.44 -0.04 0.00 -2.13 0.00 0.00 31.29 31.57 3fg6 h VAL 665 CO 0.08 0.51 0.34 -0.33 -1.23 0.00 0.00 177.57 176.94 3fg6 h GLU 666 N 0.64 0.64 0.34 5.19 5.08 -1.92 -0.70 114.58 123.84 3fg6 h GLU 666 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3fg6 h GLU 666 Cb 0.94 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.05 3fg6 h GLU 666 CO 0.09 0.42 -0.17 0.87 -1.00 0.00 0.00 179.01 179.23 3fg6 h LYS 667 N 0.66 -0.45 0.00 2.33 1.57 -1.34 -2.29 116.57 117.06 3fg6 h LYS 667 Ca 0.25 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3fg6 h LYS 667 Cb 0.09 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3fg6 h LYS 667 CO -0.14 -0.24 -0.21 0.87 -0.57 0.00 0.00 179.45 179.17 3fg6 h LYS 668 N -0.56 0.00 0.00 3.15 6.56 -1.14 -2.54 116.57 122.04 3fg6 h LYS 668 Ca -0.05 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3fg6 h LYS 668 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.08 3fg6 h LYS 668 CO 0.08 0.21 -0.70 0.93 -2.06 0.00 0.00 179.45 177.90 3fg6 h GLU 669 N 0.00 0.00 -0.13 3.15 4.39 -1.17 -3.08 114.58 117.75 3fg6 h GLU 669 Ca -0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3fg6 h GLU 669 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 3fg6 h GLU 669 CO 0.03 0.00 -0.34 0.77 -1.16 0.00 0.00 179.01 178.31 3fg6 h SER 670 N 0.00 0.26 0.00 1.42 0.02 -0.97 -2.15 113.55 112.13 3fg6 h SER 670 Ca 0.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 3fg6 h SER 670 Cb 0.85 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.31 3fg6 h SER 670 CO 0.00 0.59 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.21 3fg6 h LEU 671 N 0.22 -0.00 -1.96 5.07 3.38 -1.56 -2.07 115.31 118.39 3fg6 h LEU 671 Ca 0.03 -0.65 0.20 0.00 0.09 0.00 0.00 57.88 57.54 3fg6 h LEU 671 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3fg6 h LEU 671 CO 0.05 0.65 0.50 0.11 0.09 0.00 0.00 178.44 179.84 3fg6 h LYS 672 N -0.66 0.04 0.00 1.13 1.57 -1.50 -1.63 116.57 115.52 3fg6 h LYS 672 Ca -0.00 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3fg6 h LYS 672 Cb 0.65 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 3fg6 h LYS 672 CO 0.00 0.02 -1.79 0.43 -0.57 0.00 0.00 179.45 177.55 3fg6 n SER 673 N -4.35 0.80 0.15 0.86 7.64 -0.81 -2.51 113.62 115.41 3fg6 n SER 673 Ca 0.14 0.37 0.02 0.00 1.01 0.00 0.00 58.87 60.41 3fg6 n SER 673 Cb 0.74 0.04 0.20 0.00 -1.01 0.00 0.00 64.21 64.18 3fg6 n SER 673 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fg6 h ALA 674 N 0.98 0.88 0.00 -0.43 0.00 -1.01 0.27 119.26 119.95 3fg6 h ALA 674 Ca -0.32 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.12 3fg6 h ALA 674 Cb 2.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3fg6 h ALA 674 CO 0.07 0.65 -0.19 0.87 0.00 0.00 0.00 179.25 180.65 3fg6 h LYS 675 N 0.00 0.00 0.09 0.00 1.57 -1.39 -2.91 116.57 113.93 3fg6 h LYS 675 Ca -0.01 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 3fg6 h LYS 675 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3fg6 h LYS 675 CO 0.07 0.00 -1.50 1.98 -0.57 0.00 0.00 179.45 179.43 3fg6 h MET 676 N 0.00 0.19 0.00 3.15 1.85 -1.29 -3.33 114.93 115.49 3fg6 h MET 676 Ca 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 59.70 58.76 3fg6 h MET 676 Cb 0.80 0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.95 3fg6 h MET 676 CO 0.00 1.03 0.00 0.66 -0.40 0.00 0.00 176.91 178.20 3fg6 n TYR 677 N -3.39 0.00 -2.76 1.39 4.02 0.07 -5.09 117.16 111.39 3fg6 n TYR 677 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3fg6 n TYR 677 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.35 3fg6 n TYR 677 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3fg6 n LEU 678 N -0.60 0.00 -0.24 7.72 4.77 -1.20 -5.03 117.00 122.41 3fg6 n LEU 678 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3fg6 n LEU 678 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3fg6 n LEU 678 CO 0.02 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.49 3fg6 n THR 689 N 0.00 -0.85 -1.39 -5.08 -1.04 -1.26 -5.07 114.28 99.60 3fg6 n THR 689 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 3fg6 n THR 689 Cb 0.00 -0.91 0.10 0.00 -1.82 0.00 0.00 70.33 67.69 3fg6 n THR 689 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg6 n PRO 690 N 1.73 0.59 -3.52 -2.82 -0.02 -1.26 -4.89 135.00 124.81 3fg6 n PRO 690 Ca 0.00 0.27 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 3fg6 n PRO 690 Cb 0.00 -2.41 -0.14 0.00 -0.02 0.00 0.00 33.50 30.93 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 -1.78 0.07 -0.17 4.25 2.07 -1.26 -1.79 121.20 122.59 3fg6 s ILE 691 Ca 0.77 -1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.70 3fg6 s ILE 691 Cb -0.34 -1.08 -0.05 0.00 0.13 0.00 0.00 42.46 41.13 3fg6 s ILE 691 CO 0.47 -0.83 0.24 -0.69 -1.91 0.00 0.00 174.94 172.22 3fg6 s VAL 692 N 1.65 5.34 -0.17 4.00 1.01 -0.08 -4.97 120.40 127.18 3fg6 s VAL 692 Ca 0.13 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 3fg6 s VAL 692 Cb -0.19 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3fg6 s VAL 692 CO -0.21 0.42 0.28 -0.63 0.00 0.00 0.00 175.10 174.96 3fg6 s ILE 693 N 0.34 5.31 -0.09 2.22 1.01 -1.26 -1.37 121.20 127.36 3fg6 s ILE 693 Ca 0.14 0.51 0.03 0.00 0.00 0.00 0.00 60.65 61.33 3fg6 s ILE 693 Cb -0.12 -3.62 0.01 0.00 0.01 0.00 0.00 42.46 38.74 3fg6 s ILE 693 CO 0.02 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.54 3fg6 s ILE 694 N 0.57 1.51 0.25 2.92 1.09 0.10 -4.94 121.20 122.69 3fg6 s ILE 694 Ca 0.15 -0.68 -0.14 0.00 -1.10 0.00 0.00 60.65 58.88 3fg6 s ILE 694 Cb -0.13 -1.35 -0.08 0.00 -1.06 0.00 0.00 42.46 39.84 3fg6 s ILE 694 CO 0.04 0.44 0.65 -0.54 -0.10 0.00 0.00 174.94 175.43 3fg6 s LYS 695 N 0.66 4.00 0.30 2.79 -0.14 -1.26 -0.05 119.74 126.03 3fg6 s LYS 695 Ca -0.14 0.58 -0.29 0.00 -1.36 0.00 0.00 55.97 54.76 3fg6 s LYS 695 Cb -0.16 -2.67 -0.11 0.00 -1.68 0.00 0.00 37.83 33.22 3fg6 s LYS 695 CO 0.04 0.30 1.48 -1.14 -0.76 0.00 0.00 175.35 175.27 3fg6 s GLN 696 N -2.55 4.20 0.00 1.68 0.74 -0.88 -1.59 119.66 121.26 3fg6 s GLN 696 Ca 0.47 2.43 0.00 0.00 0.05 0.00 0.00 55.36 58.32 3fg6 s GLN 696 Cb -0.13 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.94 3fg6 s GLN 696 CO 0.19 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 3fg6 n GLY 697 N 1.67 1.13 0.33 2.59 0.00 -1.26 -4.80 105.19 104.85 3fg6 n GLY 697 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -2.39 1.61 8.25 -0.62 -5.06 115.22 115.00 3fg6 n HIS 698 Ca 0.00 -1.23 -0.42 0.00 -0.26 0.00 0.00 57.72 55.81 3fg6 n HIS 698 Cb 0.00 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 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 -3.03 4.43 0.59 -0.41 8.01 -1.20 -4.55 118.70 122.55 3fg6 s GLU 699 Ca 0.35 1.81 -0.16 0.00 0.01 0.00 0.00 54.97 56.98 3fg6 s GLU 699 Cb 0.32 -3.33 -0.04 0.00 -4.31 0.00 0.00 34.13 26.78 3fg6 s GLU 699 CO -0.02 -0.25 1.06 -1.25 0.01 0.00 0.00 175.26 174.82 3fg6 s PRO 700 N 0.91 3.28 0.48 0.39 0.04 -1.26 -4.84 135.00 134.00 3fg6 s PRO 700 Ca 0.58 1.25 0.18 0.00 0.04 0.00 0.00 61.00 63.05 3fg6 s PRO 700 Cb -0.30 -2.03 1.19 0.00 0.04 0.00 0.00 34.50 33.41 3fg6 s PRO 700 CO 0.30 -0.85 2.02 -1.35 0.04 0.00 0.00 177.00 177.17 3fg6 h PRO 701 N 0.47 0.19 0.00 0.56 0.11 -1.95 -1.09 132.00 130.28 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 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3fg6 h PRO 701 CO 0.57 0.13 -0.14 0.00 -0.21 0.00 0.00 178.00 178.34 3fg6 h THR 702 N 0.20 0.76 0.06 -1.15 1.03 -1.88 -1.51 112.91 110.42 3fg6 h THR 702 Ca 0.21 -0.57 -0.29 0.00 -0.01 0.00 0.00 66.41 65.75 3fg6 h THR 702 Cb 0.58 1.34 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 3fg6 h THR 702 CO -0.04 0.14 -1.54 0.15 -0.01 0.00 0.00 175.52 174.23 3fg6 h PHE 703 N 0.00 0.25 -0.11 0.00 3.57 -1.62 -3.39 116.94 115.64 3fg6 h PHE 703 Ca -0.00 -0.18 0.03 0.00 3.53 0.00 0.00 57.97 61.35 3fg6 h PHE 703 Cb 0.33 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3fg6 h PHE 703 CO 0.00 1.60 0.08 1.15 -2.23 0.00 0.00 178.31 178.92 3fg6 h THR 704 N -0.50 0.88 0.00 4.41 2.02 -1.09 -2.94 112.91 115.68 3fg6 h THR 704 Ca -0.37 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3fg6 h THR 704 Cb 1.64 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3fg6 h THR 704 CO -0.06 0.00 -0.04 1.23 0.37 0.00 0.00 175.52 177.03 3fg6 h GLY 705 N 0.00 0.00 0.91 2.16 0.00 -1.47 -2.53 103.07 102.14 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 -3.78 0.00 -4.58 5.60 7.02 -1.11 -4.71 117.44 115.88 3fg6 n TRP 706 Ca -0.03 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.14 3fg6 n TRP 706 Cb 0.13 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.90 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 2.71 -0.13 -5.99 0.40 -0.95 -5.02 117.98 107.00 3fg6 s PHE 707 Ca 0.38 -0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.31 3fg6 s PHE 707 Cb 0.17 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 3fg6 s PHE 707 CO 0.29 0.30 0.77 -1.17 0.70 0.00 0.00 175.22 176.11 3fg6 s LEU 708 N -1.40 4.22 0.46 -0.37 2.96 -1.26 -4.72 118.68 118.58 3fg6 s LEU 708 Ca 0.16 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.22 3fg6 s LEU 708 Cb -0.11 -3.15 0.00 0.00 0.50 0.00 0.00 46.19 43.43 3fg6 s LEU 708 CO 0.06 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3fg6 n GLY 709 N 3.37 -2.84 3.13 7.98 0.00 -1.26 -4.86 105.19 110.71 3fg6 n GLY 709 Ca 0.02 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.48 -1.51 -0.72 1.61 -0.11 -1.26 -4.93 118.94 108.55 3fg6 s TRP 710 Ca 0.00 0.35 -0.26 0.00 1.22 0.00 0.00 56.10 57.41 3fg6 s TRP 710 Cb 0.00 0.27 -0.01 0.00 -1.50 0.00 0.00 33.47 32.23 3fg6 s TRP 710 CO 0.00 -1.00 1.75 0.34 -4.62 0.00 0.00 176.95 173.42 3fg6 s ASP 711 N 2.05 5.48 0.58 5.86 3.68 -1.26 -4.80 116.67 128.25 3fg6 s ASP 711 Ca 0.15 -0.11 0.33 0.00 2.13 0.00 0.00 52.55 55.06 3fg6 s ASP 711 Cb -0.04 -2.54 1.79 0.00 -1.45 0.00 0.00 42.92 40.68 3fg6 s ASP 711 CO -0.11 -2.30 2.18 -1.28 0.13 0.00 0.00 175.17 173.79 3fg6 h SER 712 N 13.06 0.00 -0.78 -0.34 0.87 -2.03 -3.19 113.55 121.14 3fg6 h SER 712 Ca -0.17 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.88 3fg6 h SER 712 Cb 1.10 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 62.77 3fg6 h SER 712 CO 1.24 0.05 0.13 -1.20 -0.53 0.00 0.00 176.83 176.52 3fg6 n SER 713 N -3.46 5.33 0.00 6.23 7.64 -1.26 -4.76 113.62 123.34 3fg6 n SER 713 Ca -0.02 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.10 3fg6 n SER 713 Cb 0.17 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.67 3fg6 n SER 713 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3fg6 n LYS 714 N -0.93 0.00 0.00 1.43 5.02 -1.21 -5.24 118.16 117.23 3fg6 n LYS 714 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3fg6 n LYS 714 Cb 0.94 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3fg6 n LYS 714 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21