#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg6 s LYS 397 N 0.00 3.85 -0.03 1.61 2.20 -1.20 -5.04 119.74 121.14 3fg6 s LYS 397 Ca 0.00 0.32 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 3fg6 s LYS 397 Cb 0.00 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3fg6 s LYS 397 CO 0.00 0.61 -0.01 0.08 -0.36 0.00 0.00 175.35 175.67 3fg6 s VAL 398 N -1.26 0.26 -0.04 4.02 1.01 -1.26 -2.67 120.40 120.45 3fg6 s VAL 398 Ca 0.29 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3fg6 s VAL 398 Cb -0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.90 3fg6 s VAL 398 CO 0.16 0.16 -0.15 -1.61 0.00 0.00 0.00 175.10 173.65 3fg6 s GLU 399 N 0.90 1.59 -0.07 2.72 2.02 -0.37 -5.00 118.70 120.49 3fg6 s GLU 399 Ca -0.10 -0.54 0.04 0.00 0.02 0.00 0.00 54.97 54.39 3fg6 s GLU 399 Cb -0.13 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.70 3fg6 s GLU 399 CO -0.01 0.22 -0.19 0.42 0.02 0.00 0.00 175.26 175.72 3fg6 s ILE 400 N 0.06 1.60 0.11 -1.63 1.01 -1.26 -0.23 121.20 120.85 3fg6 s ILE 400 Ca -0.03 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 59.93 3fg6 s ILE 400 Cb -0.11 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3fg6 s ILE 400 CO 0.02 0.46 -0.24 0.26 0.00 0.00 0.00 174.94 175.44 3fg6 s TRP 401 N 0.27 2.04 0.14 3.97 0.51 -0.41 -1.94 118.94 123.51 3fg6 s TRP 401 Ca -0.11 -0.40 -0.09 0.00 -2.12 0.00 0.00 56.10 53.38 3fg6 s TRP 401 Cb -0.15 -1.13 -0.06 0.00 -0.81 0.00 0.00 33.47 31.33 3fg6 s TRP 401 CO 0.05 0.25 0.44 0.50 -0.51 0.00 0.00 176.95 177.67 3fg6 s ARG 402 N -1.87 3.74 0.42 4.98 3.52 0.26 -1.43 118.95 128.59 3fg6 s ARG 402 Ca 0.10 0.14 -0.18 0.00 -0.13 0.00 0.00 55.73 55.66 3fg6 s ARG 402 Cb -0.10 -2.87 -0.10 0.00 -1.56 0.00 0.00 34.95 30.32 3fg6 s ARG 402 CO 0.05 0.47 0.90 0.08 -0.81 0.00 0.00 175.30 175.99 3fg6 s VAL 403 N -1.57 4.50 -1.27 7.11 1.01 -0.92 -1.54 120.40 127.72 3fg6 s VAL 403 Ca 0.39 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 3fg6 s VAL 403 Cb -0.13 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.67 3fg6 s VAL 403 CO 0.21 -0.38 1.74 0.20 0.00 0.00 0.00 175.10 176.87 3fg6 s ASN 406 N -2.43 6.63 0.00 3.32 0.02 -1.26 -4.93 114.94 116.28 3fg6 s ASN 406 Ca 0.59 -2.30 0.00 0.00 -1.02 0.00 0.00 52.86 50.13 3fg6 s ASN 406 Cb -0.09 -2.58 0.00 0.00 0.02 0.00 0.00 41.25 38.59 3fg6 s ASN 406 CO 0.19 -1.39 0.00 0.61 0.02 0.00 0.00 177.10 176.52 3fg6 n GLY 407 N 5.54 1.22 3.73 0.66 0.00 -1.26 -5.13 105.19 109.95 3fg6 n GLY 407 Ca 0.48 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 3fg6 n GLY 407 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg6 s ARG 408 N -2.00 4.30 -0.04 1.61 0.52 -1.26 -4.90 118.95 117.17 3fg6 s ARG 408 Ca 0.00 0.32 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 3fg6 s ARG 408 Cb 0.00 -3.43 -0.00 0.00 0.52 0.00 0.00 34.95 32.04 3fg6 s ARG 408 CO 0.00 0.20 -0.17 0.42 0.02 0.00 0.00 175.30 175.77 3fg6 s ILE 409 N 0.51 1.42 0.05 1.52 1.01 -0.59 -4.92 121.20 120.20 3fg6 s ILE 409 Ca 0.23 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 3fg6 s ILE 409 Cb -0.14 -1.22 -0.07 0.00 0.01 0.00 0.00 42.46 41.04 3fg6 s ILE 409 CO 0.08 0.41 1.50 -1.10 0.00 0.00 0.00 174.94 175.83 3fg6 s GLN 410 N 0.00 4.25 0.23 2.79 -0.21 -1.26 0.91 119.66 126.38 3fg6 s GLN 410 Ca -0.03 2.13 -0.23 0.00 0.02 0.00 0.00 55.36 57.25 3fg6 s GLN 410 Cb -0.11 -3.52 -0.09 0.00 1.00 0.00 0.00 33.01 30.30 3fg6 s GLN 410 CO 0.02 -0.62 0.80 0.54 -2.12 0.00 0.00 175.29 173.91 3fg6 s VAL 411 N 2.25 4.40 0.13 1.09 0.11 -0.82 -4.84 120.40 122.71 3fg6 s VAL 411 Ca 0.68 1.58 -0.35 0.00 -2.93 0.00 0.00 61.98 60.95 3fg6 s VAL 411 Cb -0.36 -4.00 -0.15 0.00 -1.53 0.00 0.00 36.38 30.34 3fg6 s VAL 411 CO 0.29 0.30 1.42 -0.67 -3.33 0.00 0.00 175.10 173.11 3fg6 n ASP 412 N 0.98 2.19 -0.30 3.54 -0.08 -1.26 -4.88 116.55 116.74 3fg6 n ASP 412 Ca -0.02 1.11 0.03 0.00 -1.51 0.00 0.00 54.79 54.39 3fg6 n ASP 412 Cb 0.50 -1.29 0.17 0.00 2.34 0.00 0.00 41.12 42.84 3fg6 n ASP 412 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3fg6 h GLN 413 N 4.95 0.84 0.00 -0.67 5.75 -1.98 -0.24 115.11 123.75 3fg6 h GLN 413 Ca -0.46 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 57.95 3fg6 h GLN 413 Cb 1.30 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 3fg6 h GLN 413 CO 0.81 0.55 -0.20 -0.91 -2.65 0.00 0.00 178.83 176.44 3fg6 h ASN 414 N 0.86 0.00 -0.28 -0.69 4.21 -2.05 -3.11 115.58 114.52 3fg6 h ASN 414 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 3fg6 h ASN 414 Cb 0.32 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.52 3fg6 h ASN 414 CO -0.23 0.20 0.00 -1.20 -1.29 0.00 0.00 177.43 174.91 3fg6 n SER 415 N -3.98 2.69 -4.66 5.81 7.64 -0.11 -4.90 113.62 116.11 3fg6 n SER 415 Ca -0.02 -2.28 -0.42 0.00 1.01 0.00 0.00 58.87 57.16 3fg6 n SER 415 Cb 0.28 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.71 1.93 0.00 1.43 4.12 -1.18 -1.18 117.35 120.76 3fg6 s TYR 416 Ca 0.24 0.15 0.00 0.00 0.02 0.00 0.00 57.07 57.47 3fg6 s TYR 416 Cb 0.16 -3.94 0.00 0.00 -1.52 0.00 0.00 41.96 36.66 3fg6 s TYR 416 CO 0.10 -3.97 0.00 0.41 0.02 0.00 0.00 175.55 172.10 3fg6 n GLY 417 N 4.16 2.15 3.53 0.71 0.00 -1.26 -4.88 105.19 109.60 3fg6 n GLY 417 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 3.41 0.09 1.61 2.02 -0.32 0.11 118.70 124.82 3fg6 s GLU 418 Ca 0.00 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 54.83 3fg6 s GLU 418 Cb 0.00 -3.90 -0.03 0.00 0.10 0.00 0.00 34.13 30.30 3fg6 s GLU 418 CO 0.00 -0.89 -0.25 -0.06 0.02 0.00 0.00 175.26 174.07 3fg6 s PHE 419 N 2.72 2.20 0.00 1.61 0.40 -0.97 -5.01 117.98 118.93 3fg6 s PHE 419 Ca 0.22 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.96 3fg6 s PHE 419 Cb -0.14 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.08 3fg6 s PHE 419 CO 0.17 0.23 0.58 0.71 0.70 0.00 0.00 175.22 177.61 3fg6 s TYR 420 N -0.96 3.69 0.44 0.36 2.02 -1.26 -2.03 117.35 119.61 3fg6 s TYR 420 Ca 0.12 1.19 0.10 0.00 -0.37 0.00 0.00 57.07 58.11 3fg6 s TYR 420 Cb -0.10 -2.59 0.96 0.00 -0.40 0.00 0.00 41.96 39.83 3fg6 s TYR 420 CO 0.04 0.38 2.05 0.78 -1.57 0.00 0.00 175.55 177.23 3fg6 h GLY 421 N 5.53 0.35 -1.86 0.71 0.00 -1.95 -2.79 103.07 103.06 3fg6 h GLY 421 Ca -0.46 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3fg6 h GLY 421 CO 0.69 0.14 0.00 0.61 0.00 0.00 0.00 176.54 177.98 3fg6 n GLY 422 N -1.37 1.54 3.29 4.60 0.00 -1.26 -1.57 105.19 110.43 3fg6 n GLY 422 Ca 0.01 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.68 2.05 0.03 1.61 1.01 -1.06 -4.01 116.67 115.63 3fg6 s ASP 423 Ca 0.26 -1.04 0.05 0.00 0.71 0.00 0.00 52.55 52.53 3fg6 s ASP 423 Cb 0.17 -0.05 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 3fg6 s ASP 423 CO 0.12 -0.30 -0.09 0.00 0.21 0.00 0.00 175.17 175.11 3fg6 s TYR 425 N -1.04 1.28 -0.29 0.00 1.51 0.13 -2.17 117.35 116.76 3fg6 s TYR 425 Ca 0.18 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.82 3fg6 s TYR 425 Cb -0.11 -0.75 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3fg6 s TYR 425 CO 0.09 0.05 0.03 0.42 -1.11 0.00 0.00 175.55 175.03 3fg6 s ILE 426 N -0.96 3.43 -0.27 2.71 1.01 -0.51 -0.18 121.20 126.43 3fg6 s ILE 426 Ca 0.01 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 3fg6 s ILE 426 Cb -0.08 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3fg6 s ILE 426 CO 0.02 0.04 0.11 -0.63 0.00 0.00 0.00 174.94 174.47 3fg6 s ILE 427 N 1.39 4.54 -0.25 2.92 1.01 0.10 -1.29 121.20 129.62 3fg6 s ILE 427 Ca -0.00 -0.15 -0.08 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 39.10 3fg6 s ILE 427 CO -0.00 0.27 0.08 -0.22 0.00 0.00 0.00 174.94 175.07 3fg6 s LEU 428 N 1.64 3.51 -0.22 2.97 2.96 0.67 -0.43 118.68 129.78 3fg6 s LEU 428 Ca 0.06 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3fg6 s LEU 428 Cb -0.16 -1.94 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 3fg6 s LEU 428 CO 0.05 -0.05 -0.00 -0.47 -1.32 0.00 0.00 176.35 174.57 3fg6 s TYR 429 N 1.62 3.01 -0.21 5.38 5.04 0.30 -1.24 117.35 131.25 3fg6 s TYR 429 Ca 0.06 -0.70 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3fg6 s TYR 429 Cb -0.15 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.02 3fg6 s TYR 429 CO 0.04 -0.44 -0.10 0.95 -1.34 0.00 0.00 175.55 174.67 3fg6 s THR 430 N 1.42 2.88 0.07 4.34 -4.23 -1.09 -0.86 115.64 118.18 3fg6 s THR 430 Ca 0.05 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.84 3fg6 s THR 430 Cb -0.15 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.38 3fg6 s THR 430 CO -0.00 0.45 0.06 -0.72 -0.54 0.00 0.00 174.62 173.87 3fg6 s TYR 431 N 1.40 0.43 0.00 3.99 1.13 -1.00 -3.21 117.35 120.10 3fg6 s TYR 431 Ca 0.05 -0.92 -0.00 0.00 -1.41 0.00 0.00 57.07 54.79 3fg6 s TYR 431 Cb -0.14 -0.28 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 3fg6 s TYR 431 CO -0.07 -0.46 0.03 -2.30 -2.51 0.00 0.00 175.55 170.25 3fg6 n PRO 432 N 0.03 -0.00 0.00 -3.49 -0.02 -1.26 -2.66 135.00 127.59 3fg6 n PRO 432 Ca -0.13 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3fg6 n PRO 432 Cb 0.62 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 34.05 3fg6 n PRO 432 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3fg6 n ARG 433 N -4.03 0.00 0.00 -0.52 3.00 -1.26 -5.09 116.66 108.76 3fg6 n ARG 433 Ca 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3fg6 n ARG 433 Cb 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 32.46 31.87 3fg6 n ARG 433 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3fg6 n GLY 434 N 2.33 6.04 3.51 5.14 0.00 -1.09 -5.16 105.19 115.96 3fg6 n GLY 434 Ca 0.00 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 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 1.51 2.12 -0.07 1.61 -1.52 -1.26 -2.36 119.66 119.68 3fg6 s GLN 435 Ca 0.00 -0.98 0.01 0.00 -1.95 0.00 0.00 55.36 52.45 3fg6 s GLN 435 Cb 0.00 -2.25 0.02 0.00 -0.22 0.00 0.00 33.01 30.56 3fg6 s GLN 435 CO 0.00 0.53 -0.10 0.42 -0.25 0.00 0.00 175.29 175.90 3fg6 s ILE 436 N -1.03 0.99 -0.34 1.08 1.01 -0.04 -1.65 121.20 121.24 3fg6 s ILE 436 Ca 0.17 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3fg6 s ILE 436 Cb -0.11 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.45 3fg6 s ILE 436 CO 0.08 0.33 0.11 -0.63 0.00 0.00 0.00 174.94 174.83 3fg6 s ILE 437 N 0.95 3.88 -0.25 2.92 1.01 0.58 -0.54 121.20 129.76 3fg6 s ILE 437 Ca -0.10 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.33 3fg6 s ILE 437 Cb -0.15 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3fg6 s ILE 437 CO 0.00 -0.14 0.52 -0.31 0.00 0.00 0.00 174.94 175.01 3fg6 s TYR 438 N 1.43 3.29 -0.62 3.97 2.02 0.42 -0.72 117.35 127.14 3fg6 s TYR 438 Ca -0.01 0.67 -0.16 0.00 -0.37 0.00 0.00 57.07 57.21 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 -0.25 0.60 0.99 -1.57 0.00 0.00 175.55 175.35 3fg6 s THR 439 N 2.20 5.23 -0.29 -0.71 2.01 -0.35 0.01 115.64 123.74 3fg6 s THR 439 Ca 0.22 -1.64 -0.26 0.00 0.31 0.00 0.00 61.69 60.32 3fg6 s THR 439 Cb -0.16 -4.40 0.01 0.00 0.01 0.00 0.00 72.50 67.96 3fg6 s THR 439 CO 0.09 -0.96 0.91 0.86 -0.69 0.00 0.00 174.62 174.83 3fg6 s TRP 440 N 1.48 3.22 -0.23 4.92 -0.00 0.74 -0.70 118.94 128.36 3fg6 s TRP 440 Ca 0.08 1.06 -0.04 0.00 -0.00 0.00 0.00 56.10 57.20 3fg6 s TRP 440 Cb -0.24 -3.33 -0.01 0.00 -0.00 0.00 0.00 33.47 29.89 3fg6 s TRP 440 CO 0.01 -0.58 -0.02 -0.65 -0.00 0.00 0.00 176.95 175.70 3fg6 s GLN 441 N 3.16 3.33 0.33 5.86 -0.21 0.11 0.18 119.66 132.43 3fg6 s GLN 441 Ca 0.38 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.81 3fg6 s GLN 441 Cb -0.14 -3.08 -0.10 0.00 1.00 0.00 0.00 33.01 30.69 3fg6 s GLN 441 CO 0.12 -0.24 1.27 0.20 -2.12 0.00 0.00 175.29 174.52 3fg6 s GLY 442 N 1.48 3.00 0.64 3.09 0.00 -0.49 -1.35 107.32 113.70 3fg6 s GLY 442 Ca 0.05 1.19 0.35 0.00 0.00 0.00 0.00 44.72 46.32 3fg6 s GLY 442 CO -0.02 1.83 2.18 0.00 0.00 0.00 0.00 173.10 177.08 3fg6 h ALA 443 N 3.39 1.37 -0.01 3.20 0.00 -1.85 -1.48 119.26 123.87 3fg6 h ALA 443 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg6 h ALA 443 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3fg6 h ALA 443 CO 0.65 -0.17 -0.18 0.09 0.00 0.00 0.00 179.25 179.65 3fg6 n ASN 444 N -3.33 1.80 -4.67 0.00 3.02 -0.61 -5.02 115.26 106.45 3fg6 n ASN 444 Ca -0.01 -1.40 -0.43 0.00 -0.03 0.00 0.00 54.58 52.70 3fg6 n ASN 444 Cb 0.22 0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 0.24 0.98 -1.68 5.41 0.00 -0.56 -4.60 120.51 120.30 3fg6 n ALA 445 Ca 0.07 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.55 3fg6 n ALA 445 Cb 0.33 -2.22 0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.84 3.34 0.61 0.00 -4.23 -1.26 -4.87 115.64 108.39 3fg6 s THR 446 Ca 0.59 0.74 0.33 0.00 -1.18 0.00 0.00 61.69 62.17 3fg6 s THR 446 Cb -0.61 -3.26 0.37 0.00 1.34 0.00 0.00 72.50 70.34 3fg6 s THR 446 CO 0.59 -0.27 2.24 0.03 -0.54 0.00 0.00 174.62 176.66 3fg6 h ARG 447 N 0.78 0.00 -0.53 3.99 3.08 -1.99 0.24 114.38 119.94 3fg6 h ARG 447 Ca -0.49 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.55 3fg6 h ARG 447 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 3fg6 h ARG 447 CO 0.56 0.00 0.26 0.22 -1.07 0.00 0.00 179.97 179.94 3fg6 h ASP 448 N 0.00 0.69 -0.34 7.04 3.58 -2.00 -2.21 116.42 123.17 3fg6 h ASP 448 Ca 0.02 -0.12 -0.14 0.00 0.42 0.00 0.00 57.03 57.21 3fg6 h ASP 448 Cb 0.14 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3fg6 h ASP 448 CO -0.00 0.62 -0.30 -0.33 -2.88 0.00 0.00 179.24 176.34 3fg6 h GLU 449 N 0.71 0.87 -0.66 0.28 5.08 -1.33 -2.53 114.58 117.00 3fg6 h GLU 449 Ca 0.18 -0.40 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 3fg6 h GLU 449 Cb 0.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3fg6 h GLU 449 CO -0.02 1.05 0.43 -0.07 -1.00 0.00 0.00 179.01 179.40 3fg6 h LEU 450 N 0.73 0.70 -0.05 1.33 3.38 -1.23 0.19 115.31 120.36 3fg6 h LEU 450 Ca 0.08 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 3fg6 h LEU 450 Cb 0.86 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.46 3fg6 h LEU 450 CO 0.08 0.49 -0.93 0.74 0.09 0.00 0.00 178.44 178.91 3fg6 h THR 451 N 0.82 1.28 -0.51 0.22 2.02 -1.34 -2.76 112.91 112.65 3fg6 h THR 451 Ca 0.26 -2.14 -0.12 0.00 0.77 0.00 0.00 66.41 65.17 3fg6 h THR 451 Cb 0.01 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 3fg6 h THR 451 CO -0.07 0.67 -0.16 0.74 0.37 0.00 0.00 175.52 177.07 3fg6 h THR 452 N 0.41 1.27 -0.29 3.16 2.02 -0.99 -0.39 112.91 118.10 3fg6 h THR 452 Ca -0.10 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 3fg6 h THR 452 Cb 1.58 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 3fg6 h THR 452 CO 0.19 0.46 0.18 0.77 0.37 0.00 0.00 175.52 177.48 3fg6 h SER 453 N 0.88 0.35 -0.69 4.18 4.64 -0.71 0.62 113.55 122.82 3fg6 h SER 453 Ca 0.13 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 3fg6 h SER 453 Cb 0.73 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 3fg6 h SER 453 CO 0.06 0.29 0.33 0.00 -0.87 0.00 0.00 176.83 176.64 3fg6 h ALA 454 N 1.07 0.89 -0.84 5.18 0.00 -1.34 -1.89 119.26 122.32 3fg6 h ALA 454 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3fg6 h ALA 454 Cb 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3fg6 h ALA 454 CO -0.02 0.46 0.53 0.35 0.00 0.00 0.00 179.25 180.57 3fg6 h PHE 455 N 0.96 1.08 0.00 0.00 3.57 -0.75 -2.76 116.94 119.05 3fg6 h PHE 455 Ca 0.24 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.57 3fg6 h PHE 455 Cb 0.12 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 3fg6 h PHE 455 CO 0.01 0.70 -0.86 -0.07 -2.23 0.00 0.00 178.31 175.85 3fg6 h LEU 456 N 1.15 0.00 -0.59 0.59 3.38 -0.50 -1.71 115.31 117.63 3fg6 h LEU 456 Ca 0.31 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 3fg6 h LEU 456 Cb -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3fg6 h LEU 456 CO -0.06 0.86 -0.69 0.71 0.09 0.00 0.00 178.44 179.35 3fg6 h THR 457 N 0.00 1.48 -0.14 0.22 1.35 -1.32 0.90 112.91 115.40 3fg6 h THR 457 Ca -0.01 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.52 3fg6 h THR 457 Cb 1.62 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 70.28 3fg6 h THR 457 CO 0.11 0.67 0.04 0.58 -0.25 0.00 0.00 175.52 176.67 3fg6 h VAL 458 N 0.04 1.19 -0.64 6.82 2.07 -1.41 0.10 116.25 124.43 3fg6 h VAL 458 Ca -0.01 -0.59 0.07 0.00 0.82 0.00 0.00 66.70 66.98 3fg6 h VAL 458 Cb 1.23 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3fg6 h VAL 458 CO 0.10 0.18 0.32 1.56 0.02 0.00 0.00 177.57 179.74 3fg6 h GLN 459 N 0.04 0.56 -0.14 1.57 7.50 -1.13 -0.68 115.11 122.83 3fg6 h GLN 459 Ca 0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 3fg6 h GLN 459 Cb 0.24 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 3fg6 h GLN 459 CO -0.00 0.37 0.02 1.25 -1.50 0.00 0.00 178.83 178.97 3fg6 h LEU 460 N 0.58 0.22 -0.87 1.46 5.85 -0.73 -2.67 115.31 119.15 3fg6 h LEU 460 Ca 0.30 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3fg6 h LEU 460 Cb 0.26 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3fg6 h LEU 460 CO -0.22 0.42 0.49 -0.78 -0.34 0.00 0.00 178.44 178.01 3fg6 h ASP 461 N 0.01 1.08 0.24 1.25 -0.00 -0.54 -2.39 116.42 116.06 3fg6 h ASP 461 Ca 0.04 -0.09 -0.07 0.00 -0.00 0.00 0.00 57.03 56.91 3fg6 h ASP 461 Cb 0.29 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.34 3fg6 h ASP 461 CO 0.00 0.85 -0.31 0.03 -0.00 0.00 0.00 179.24 179.82 3fg6 h ARG 462 N 1.21 0.11 0.00 0.28 3.08 -1.12 0.15 114.38 118.10 3fg6 h ARG 462 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3fg6 h ARG 462 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3fg6 h ARG 462 CO -0.05 0.41 0.00 -1.13 -1.07 0.00 0.00 179.97 178.13 3fg6 n SER 463 N -4.14 0.78 -0.47 7.04 3.41 -0.93 -2.99 113.62 116.31 3fg6 n SER 463 Ca -0.02 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3fg6 n SER 463 Cb 0.38 -0.79 0.16 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.24 1.79 0.00 1.04 4.77 -0.91 -4.95 117.00 116.51 3fg6 n LEU 464 Ca 0.05 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 3fg6 n LEU 464 Cb 0.41 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3fg6 n LEU 464 CO 0.29 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3fg6 n GLY 465 N 1.37 1.20 1.26 -0.72 0.00 -1.07 -4.39 105.19 102.85 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 -0.68 0.64 0.11 -0.02 0.00 0.50 -4.94 105.19 100.80 3fg6 n GLY 466 Ca 0.00 -0.38 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 -1.61 0.00 0.00 0.00 173.32 171.71 3fg6 h GLN 467 N 0.94 0.00 -6.87 1.61 5.75 -1.77 -3.48 115.11 111.29 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 0.02 0.00 1.07 0.00 0.00 27.48 28.57 3fg6 h GLN 467 CO 0.00 0.00 0.47 0.00 -2.65 0.00 0.00 178.83 176.65 3fg6 s ALA 468 N -3.26 3.28 0.15 3.38 0.00 -1.26 -4.68 121.76 119.37 3fg6 s ALA 468 Ca 0.03 0.87 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 3fg6 s ALA 468 Cb 0.10 -3.33 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3fg6 s ALA 468 CO 0.74 -0.25 0.95 0.08 0.00 0.00 0.00 175.76 177.28 3fg6 s VAL 469 N -1.33 4.36 -0.16 0.00 1.01 -0.66 -4.93 120.40 118.69 3fg6 s VAL 469 Ca 0.50 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 64.54 3fg6 s VAL 469 Cb -0.29 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.76 3fg6 s VAL 469 CO 0.37 0.38 -0.12 -1.10 0.00 0.00 0.00 175.10 174.64 3fg6 s GLN 470 N -0.41 3.32 -0.16 2.72 -0.21 -1.26 -0.30 119.66 123.35 3fg6 s GLN 470 Ca 0.45 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 55.13 3fg6 s GLN 470 Cb -0.24 -2.71 0.03 0.00 1.00 0.00 0.00 33.01 31.10 3fg6 s GLN 470 CO 0.30 0.05 -0.09 0.42 -2.12 0.00 0.00 175.29 173.85 3fg6 s ILE 471 N 0.76 1.36 -0.44 1.08 1.01 0.10 -4.98 121.20 120.08 3fg6 s ILE 471 Ca -0.05 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 3fg6 s ILE 471 Cb -0.15 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 40.93 3fg6 s ILE 471 CO 0.01 0.26 0.98 -0.60 0.00 0.00 0.00 174.94 175.60 3fg6 s ARG 472 N 1.54 3.67 -0.31 2.79 3.52 -1.26 -1.21 118.95 127.69 3fg6 s ARG 472 Ca 0.02 0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 55.93 3fg6 s ARG 472 Cb -0.14 -3.89 0.01 0.00 -1.56 0.00 0.00 34.95 29.37 3fg6 s ARG 472 CO -0.09 -1.19 0.11 0.08 -0.81 0.00 0.00 175.30 173.40 3fg6 s VAL 473 N 3.86 4.17 0.49 7.11 1.01 0.12 -4.95 120.40 132.22 3fg6 s VAL 473 Ca 0.40 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 3fg6 s VAL 473 Cb -0.10 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 33.03 3fg6 s VAL 473 CO 0.26 0.04 1.06 -0.44 0.00 0.00 0.00 175.10 176.01 3fg6 s SER 474 N 1.53 6.23 0.18 3.32 0.01 -1.26 0.05 113.70 123.75 3fg6 s SER 474 Ca 0.03 1.99 -0.33 0.00 1.31 0.00 0.00 55.95 58.94 3fg6 s SER 474 Cb -0.17 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.35 3fg6 s SER 474 CO 0.04 -0.86 1.51 1.67 0.41 0.00 0.00 173.24 176.00 3fg6 n GLN 475 N -1.00 2.05 -1.00 12.44 7.27 -0.46 -1.53 117.38 135.16 3fg6 n GLN 475 Ca 0.10 0.74 0.00 0.00 0.07 0.00 0.00 57.00 57.90 3fg6 n GLN 475 Cb 0.52 -2.46 0.00 0.00 2.41 0.00 0.00 30.24 30.71 3fg6 n GLN 475 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fg6 n GLY 476 N 2.95 0.71 1.22 1.69 0.00 -1.26 -4.88 105.19 105.61 3fg6 n GLY 476 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.50 2.32 -2.09 1.61 4.76 -0.58 -4.80 118.16 116.88 3fg6 n LYS 477 Ca 0.00 -3.60 -0.42 0.00 -2.87 0.00 0.00 58.31 51.41 3fg6 n LYS 477 Cb 0.01 -1.82 -0.03 0.00 -1.84 0.00 0.00 35.03 31.34 3fg6 n LYS 477 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fg6 s GLU 478 N -3.29 4.23 1.10 1.97 8.01 -1.26 -4.68 118.70 124.78 3fg6 s GLU 478 Ca 0.43 2.12 -0.20 0.00 0.01 0.00 0.00 54.97 57.33 3fg6 s GLU 478 Cb 0.38 -3.69 0.06 0.00 -4.31 0.00 0.00 34.13 26.58 3fg6 s GLU 478 CO -0.03 -0.70 -0.23 -2.30 0.01 0.00 0.00 175.26 172.01 3fg6 n PRO 479 N 5.92 -1.42 0.13 0.39 -0.02 -1.26 -4.86 135.00 133.88 3fg6 n PRO 479 Ca 0.15 -0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.08 3fg6 n PRO 479 Cb 0.42 -1.58 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.95 0.15 0.72 -1.45 -1.51 -1.99 -3.30 116.25 106.92 3fg6 h VAL 480 Ca -0.51 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.93 3fg6 h VAL 480 Cb 1.35 0.15 -0.00 0.00 -2.13 0.00 0.00 31.29 30.65 3fg6 h VAL 480 CO 0.35 0.00 -0.43 -0.74 -1.23 0.00 0.00 177.57 175.53 3fg6 h HIS 481 N -0.68 -1.13 -1.60 5.19 -0.00 -1.99 -3.27 115.15 111.67 3fg6 h HIS 481 Ca 0.01 -0.01 0.51 0.00 -0.00 0.00 0.00 60.37 60.88 3fg6 h HIS 481 Cb 0.69 0.40 -0.12 0.00 -0.00 0.00 0.00 27.41 28.39 3fg6 h HIS 481 CO -0.36 -0.64 1.09 1.25 -0.00 0.00 0.00 177.93 179.27 3fg6 h LEU 482 N -1.07 0.13 -0.33 0.26 5.85 -1.92 1.73 115.31 119.96 3fg6 h LEU 482 Ca -0.10 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3fg6 h LEU 482 Cb 0.85 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3fg6 h LEU 482 CO 0.11 -0.16 -0.51 -0.07 -0.34 0.00 0.00 178.44 177.47 3fg6 h LEU 483 N 0.01 0.00 -2.16 2.25 3.38 -1.65 -3.05 115.31 114.08 3fg6 h LEU 483 Ca 0.90 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.87 3fg6 h LEU 483 Cb 3.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 43.93 3fg6 h LEU 483 CO -0.30 0.51 -0.02 0.77 0.09 0.00 0.00 178.44 179.50 3fg6 h SER 484 N 0.00 0.00 -0.35 -0.43 4.64 0.25 -3.25 113.55 114.42 3fg6 h SER 484 Ca -0.01 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 3fg6 h SER 484 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3fg6 h SER 484 CO 0.07 0.02 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.91 3fg6 h LEU 485 N 0.00 0.73 -8.24 5.97 4.07 -1.51 -3.40 115.31 112.93 3fg6 h LEU 485 Ca -0.00 -0.20 -0.65 0.00 0.08 0.00 0.00 57.88 57.11 3fg6 h LEU 485 Cb 0.27 -0.20 -0.16 0.00 1.08 0.00 0.00 40.66 41.66 3fg6 h LEU 485 CO 0.00 0.84 0.41 -0.36 -1.08 0.00 0.00 178.44 178.26 3fg6 s PHE 486 N -4.87 2.78 -0.82 1.13 0.40 -1.23 -4.89 117.98 110.47 3fg6 s PHE 486 Ca -0.09 -0.64 -0.22 0.00 -0.60 0.00 0.00 56.93 55.38 3fg6 s PHE 486 Cb 0.14 -4.18 -0.19 0.00 0.51 0.00 0.00 43.02 39.30 3fg6 s PHE 486 CO 0.81 -1.52 2.37 1.63 0.70 0.00 0.00 175.22 179.21 3fg6 n LYS 487 N 7.28 0.43 -0.07 0.44 4.76 -1.26 -3.00 118.16 126.74 3fg6 n LYS 487 Ca -0.05 -0.41 0.00 0.00 -2.87 0.00 0.00 58.31 54.98 3fg6 n LYS 487 Cb 0.45 -2.72 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 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 13.92 0.00 -4.73 4.39 8.00 -1.26 -4.87 116.55 132.00 3fg6 n ASP 488 Ca 0.53 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.65 3fg6 n ASP 488 Cb 0.33 -1.61 -0.06 0.00 -0.02 0.00 0.00 41.12 39.77 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 -0.14 4.34 0.94 -1.24 0.00 -1.16 -5.07 119.74 117.41 3fg6 s LYS 489 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 55.97 56.39 3fg6 s LYS 489 Cb 0.00 -3.42 0.15 0.00 0.00 0.00 0.00 37.83 34.56 3fg6 s LYS 489 CO 0.00 0.19 1.09 -1.25 0.00 0.00 0.00 175.35 175.38 3fg6 s PRO 490 N 0.50 0.91 -0.24 1.78 0.04 -1.26 -4.73 135.00 132.00 3fg6 s PRO 490 Ca 0.28 0.74 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 3fg6 s PRO 490 Cb -0.16 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 3fg6 s PRO 490 CO 0.12 -2.46 0.27 -1.17 0.04 0.00 0.00 177.00 173.81 3fg6 s LEU 491 N -6.34 4.10 -0.22 -3.56 0.20 -1.26 -4.78 118.68 106.81 3fg6 s LEU 491 Ca 0.64 0.24 -0.09 0.00 0.69 0.00 0.00 54.13 55.61 3fg6 s LEU 491 Cb -0.18 -2.29 -0.05 0.00 -0.43 0.00 0.00 46.19 43.24 3fg6 s LEU 491 CO 0.57 -0.04 0.13 -0.63 -0.29 0.00 0.00 176.35 176.09 3fg6 s ILE 492 N 1.44 5.13 -0.29 6.68 1.01 0.30 -3.17 121.20 132.31 3fg6 s ILE 492 Ca 0.12 0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 3fg6 s ILE 492 Cb -0.15 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 3fg6 s ILE 492 CO 0.08 0.38 0.11 -0.63 0.00 0.00 0.00 174.94 174.88 3fg6 s ILE 493 N 0.91 4.39 0.61 2.92 1.01 -0.64 -2.30 121.20 128.10 3fg6 s ILE 493 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3fg6 s ILE 493 Cb -0.13 -3.19 0.09 0.00 0.01 0.00 0.00 42.46 39.24 3fg6 s ILE 493 CO 0.03 0.15 0.84 -0.31 0.00 0.00 0.00 174.94 175.65 3fg6 s TYR 494 N 1.59 1.68 0.23 3.97 1.51 -0.86 -1.81 117.35 123.66 3fg6 s TYR 494 Ca 0.05 -0.51 -0.05 0.00 -1.01 0.00 0.00 57.07 55.55 3fg6 s TYR 494 Cb -0.16 -2.52 0.24 0.00 -0.11 0.00 0.00 41.96 39.41 3fg6 s TYR 494 CO 0.05 -1.26 1.75 -1.00 -1.11 0.00 0.00 175.55 173.98 3fg6 h PRO 509 N -0.02 0.98 -5.52 -1.71 0.13 -1.98 -3.39 132.00 120.49 3fg6 h PRO 509 Ca -0.34 -0.24 -0.59 0.00 -0.87 0.00 0.00 66.00 63.97 3fg6 h PRO 509 Cb 1.28 -0.13 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 3fg6 h PRO 509 CO 0.41 0.89 -0.33 0.99 -0.23 0.00 0.00 178.00 179.74 3fg6 s THR 510 N -5.20 5.30 0.01 1.56 2.01 -1.26 -3.70 115.64 114.35 3fg6 s THR 510 Ca -0.11 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.44 3fg6 s THR 510 Cb 0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 3fg6 s THR 510 CO 0.83 0.41 -0.03 -0.13 -0.69 0.00 0.00 174.62 175.01 3fg6 s ARG 511 N 0.35 0.21 -0.11 4.92 0.52 -0.35 -4.93 118.95 119.55 3fg6 s ARG 511 Ca 0.17 -0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 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 0.00 175.30 174.04 3fg6 s LEU 512 N -0.45 1.84 -0.09 2.53 2.96 -1.26 -0.31 118.68 123.90 3fg6 s LEU 512 Ca -0.03 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3fg6 s LEU 512 Cb -0.03 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 3fg6 s LEU 512 CO -0.00 0.04 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.55 3fg6 s PHE 513 N 0.89 2.71 -0.23 5.38 0.40 -0.01 0.25 117.98 127.37 3fg6 s PHE 513 Ca -0.08 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.63 3fg6 s PHE 513 Cb -0.15 -1.74 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 3fg6 s PHE 513 CO -0.01 -0.10 0.13 -1.14 0.70 0.00 0.00 175.22 174.80 3fg6 s GLN 514 N -0.06 4.00 -0.23 0.44 0.74 0.19 -1.24 119.66 123.51 3fg6 s GLN 514 Ca -0.04 -0.31 -0.05 0.00 0.05 0.00 0.00 55.36 55.01 3fg6 s GLN 514 Cb -0.14 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.50 3fg6 s GLN 514 CO 0.04 0.07 -0.01 0.08 -0.55 0.00 0.00 175.29 174.92 3fg6 s VAL 515 N 1.00 3.69 -0.01 1.34 1.01 0.11 -0.79 120.40 126.75 3fg6 s VAL 515 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.67 3fg6 s VAL 515 Cb -0.14 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.56 3fg6 s VAL 515 CO 0.04 0.40 -0.03 -0.60 0.00 0.00 0.00 175.10 174.91 3fg6 s ARG 516 N 1.48 0.31 -0.06 2.72 3.52 -0.61 -2.39 118.95 123.92 3fg6 s ARG 516 Ca 0.06 -0.08 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 3fg6 s ARG 516 Cb -0.15 -0.35 0.01 0.00 -1.56 0.00 0.00 34.95 32.90 3fg6 s ARG 516 CO -0.01 0.02 -0.13 0.50 -0.81 0.00 0.00 175.30 174.87 3fg6 s ARG 517 N 0.23 1.70 -0.01 5.12 3.52 -1.26 -0.42 118.95 127.83 3fg6 s ARG 517 Ca -0.02 -0.44 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3fg6 s ARG 517 Cb -0.05 -1.42 -0.00 0.00 -1.56 0.00 0.00 34.95 31.92 3fg6 s ARG 517 CO -0.01 0.06 -0.09 0.54 -0.81 0.00 0.00 175.30 174.99 3fg6 s ASN 518 N 0.56 1.09 -1.22 -2.12 2.20 -1.26 -4.97 114.94 109.22 3fg6 s ASN 518 Ca -0.13 -0.17 -0.29 0.00 -0.94 0.00 0.00 52.86 51.34 3fg6 s ASN 518 Cb -0.15 -0.15 0.03 0.00 -2.00 0.00 0.00 41.25 38.97 3fg6 s ASN 518 CO 0.04 0.10 0.68 0.18 -2.94 0.00 0.00 177.10 175.15 3fg6 n LEU 519 N 2.94 -1.02 0.00 3.54 4.77 -1.26 -3.86 117.00 122.10 3fg6 n LEU 519 Ca -0.14 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 3fg6 n LEU 519 Cb 0.56 -1.84 0.00 0.00 -2.33 0.00 0.00 43.42 39.81 3fg6 n LEU 519 CO 0.25 0.70 0.00 0.00 -1.33 0.00 0.00 177.39 177.01 3fg6 n ALA 520 N -4.79 0.00 -0.11 -1.18 0.00 -1.26 -4.89 120.51 108.28 3fg6 n ALA 520 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fg6 n ALA 520 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 8.88 0.00 -3.62 0.00 3.41 -1.25 -4.56 113.62 116.47 3fg6 n SER 521 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3fg6 n SER 521 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 3fg6 n SER 521 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3fg6 s ILE 522 N 0.00 0.00 -0.17 -1.33 2.07 -1.26 -4.86 121.20 115.65 3fg6 s ILE 522 Ca 0.00 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 58.95 3fg6 s ILE 522 Cb 0.00 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.56 3fg6 s ILE 522 CO 0.00 0.00 1.62 -0.89 -1.91 0.00 0.00 174.94 173.76 3fg6 s THR 523 N -1.63 3.68 -0.19 4.00 2.01 -1.26 -4.42 115.64 117.82 3fg6 s THR 523 Ca 0.09 0.79 -0.08 0.00 0.31 0.00 0.00 61.69 62.80 3fg6 s THR 523 Cb -0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3fg6 s THR 523 CO -0.05 -0.21 0.07 -0.13 -0.69 0.00 0.00 174.62 173.62 3fg6 s ARG 524 N 4.46 3.99 -0.21 4.92 0.52 0.44 -4.30 118.95 128.77 3fg6 s ARG 524 Ca 0.72 -0.33 -0.04 0.00 -0.52 0.00 0.00 55.73 55.55 3fg6 s ARG 524 Cb -0.27 -3.25 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 3fg6 s ARG 524 CO 0.29 0.25 -0.03 0.42 0.02 0.00 0.00 175.30 176.24 3fg6 s ILE 525 N 0.45 3.54 -0.09 1.52 1.01 -1.19 -1.58 121.20 124.87 3fg6 s ILE 525 Ca 0.04 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.25 3fg6 s ILE 525 Cb -0.12 -2.60 0.02 0.00 0.01 0.00 0.00 42.46 39.77 3fg6 s ILE 525 CO 0.00 0.43 -0.09 -0.69 0.00 0.00 0.00 174.94 174.60 3fg6 s VAL 526 N 1.26 0.99 0.18 2.92 1.01 0.03 -1.62 120.40 125.17 3fg6 s VAL 526 Ca 0.03 -0.32 -0.31 0.00 0.00 0.00 0.00 61.98 61.38 3fg6 s VAL 526 Cb -0.14 -0.97 -0.09 0.00 0.00 0.00 0.00 36.38 35.17 3fg6 s VAL 526 CO -0.01 0.34 1.43 -0.70 0.00 0.00 0.00 175.10 176.16 3fg6 s GLU 527 N 1.25 4.30 0.33 2.72 2.12 -0.75 0.54 118.70 129.21 3fg6 s GLU 527 Ca -0.04 2.20 0.04 0.00 0.36 0.00 0.00 54.97 57.53 3fg6 s GLU 527 Cb -0.14 -3.18 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 3fg6 s GLU 527 CO -0.03 -0.43 0.05 0.14 -0.54 0.00 0.00 175.26 174.45 3fg6 s VAL 528 N 0.61 1.26 0.44 3.70 -7.23 0.14 -4.89 120.40 114.43 3fg6 s VAL 528 Ca 0.63 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 3fg6 s VAL 528 Cb -0.40 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 33.66 3fg6 s VAL 528 CO 0.36 -0.01 1.28 0.47 -0.31 0.00 0.00 175.10 176.88 3fg6 n ASP 529 N -0.70 2.56 -1.90 4.85 8.00 -1.26 -4.04 116.55 124.06 3fg6 n ASP 529 Ca -0.02 1.09 -0.10 0.00 0.71 0.00 0.00 54.79 56.46 3fg6 n ASP 529 Cb 0.67 -1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 40.15 3fg6 n ASP 529 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fg6 n VAL 530 N -0.33 2.75 -4.15 2.53 0.24 -1.26 -4.74 118.33 113.37 3fg6 n VAL 530 Ca 0.07 -1.35 -0.22 0.00 -2.04 0.00 0.00 64.34 60.80 3fg6 n VAL 530 Cb 0.40 -1.81 -0.05 0.00 -1.47 0.00 0.00 33.84 30.91 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 1.81 5.26 0.31 -1.34 1.11 -1.26 -4.62 116.67 117.93 3fg6 s ASP 531 Ca 0.47 -0.37 0.09 0.00 0.18 0.00 0.00 52.55 52.92 3fg6 s ASP 531 Cb 0.24 -1.24 0.52 0.00 1.07 0.00 0.00 42.92 43.50 3fg6 s ASP 531 CO -0.02 -0.04 1.72 0.00 1.18 0.00 0.00 175.17 178.01 3fg6 h ALA 532 N 1.58 1.17 -0.05 5.23 0.00 -1.79 -2.76 119.26 122.64 3fg6 h ALA 532 Ca -0.47 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.03 3fg6 h ALA 532 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg6 h ALA 532 CO 0.61 0.58 0.00 0.27 0.00 0.00 0.00 179.25 180.70 3fg6 n ASN 533 N -4.02 0.29 0.17 0.00 0.23 -1.26 -1.87 115.26 108.80 3fg6 n ASN 533 Ca -0.02 -1.94 0.12 0.00 -0.53 0.00 0.00 54.58 52.21 3fg6 n ASN 533 Cb 0.47 -0.03 0.10 0.00 -2.08 0.00 0.00 39.78 38.24 3fg6 n ASN 533 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3fg6 h SER 534 N 0.32 0.00 -4.00 0.53 0.02 -1.78 -3.45 113.55 105.19 3fg6 h SER 534 Ca 0.00 -0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3fg6 h SER 534 Cb 0.07 0.00 0.17 0.00 0.14 0.00 0.00 62.40 62.79 3fg6 h SER 534 CO 0.00 0.00 0.20 -0.76 -1.14 0.00 0.00 176.83 175.13 3fg6 s LEU 535 N -5.84 2.25 -0.30 5.07 1.43 -0.78 -4.98 118.68 115.52 3fg6 s LEU 535 Ca 0.04 1.76 -0.11 0.00 -1.03 0.00 0.00 54.13 54.79 3fg6 s LEU 535 Cb 0.07 -4.10 0.14 0.00 0.03 0.00 0.00 46.19 42.33 3fg6 s LEU 535 CO 0.72 -3.03 0.70 0.21 0.23 0.00 0.00 176.35 175.18 3fg6 s ASN 536 N -3.00 -1.06 0.64 2.29 3.84 -1.26 -3.86 114.94 112.53 3fg6 s ASN 536 Ca 0.65 1.46 0.35 0.00 0.21 0.00 0.00 52.86 55.53 3fg6 s ASN 536 Cb -0.21 2.21 1.95 0.00 -0.55 0.00 0.00 41.25 44.65 3fg6 s ASN 536 CO 0.59 -0.20 2.16 0.28 -2.79 0.00 0.00 177.10 177.14 3fg6 h SER 537 N 7.92 0.00 1.29 -4.21 0.02 -1.89 -2.25 113.55 114.44 3fg6 h SER 537 Ca -0.18 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3fg6 h SER 537 Cb 1.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.64 3fg6 h SER 537 CO 0.10 0.00 -0.71 -1.13 -1.14 0.00 0.00 176.83 173.95 3fg6 h ASN 538 N 0.00 0.00 -0.97 3.07 -0.73 -1.86 -1.67 115.58 113.42 3fg6 h ASN 538 Ca 0.03 0.00 -0.63 0.00 1.87 0.00 0.00 56.30 57.57 3fg6 h ASN 538 Cb 0.33 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 38.81 3fg6 h ASN 538 CO -0.00 0.00 -0.51 -1.81 -0.37 0.00 0.00 177.43 174.75 3fg6 s ASP 539 N -5.62 4.18 0.03 1.15 1.01 -0.85 -3.71 116.67 112.87 3fg6 s ASP 539 Ca 0.02 -1.41 0.01 0.00 0.71 0.00 0.00 52.55 51.88 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 -0.72 0.06 -0.69 0.21 0.00 0.00 175.17 174.78 3fg6 s VAL 540 N -2.77 4.49 0.07 -1.27 1.01 -1.01 -2.25 120.40 118.68 3fg6 s VAL 540 Ca 0.24 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3fg6 s VAL 540 Cb 0.04 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 3fg6 s VAL 540 CO 0.13 0.28 -0.19 -0.36 0.00 0.00 0.00 175.10 174.96 3fg6 s PHE 541 N -1.23 1.63 -0.18 5.22 0.08 -0.33 0.08 117.98 123.25 3fg6 s PHE 541 Ca 0.24 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.89 3fg6 s PHE 541 Cb -0.12 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3fg6 s PHE 541 CO 0.16 0.12 -0.17 0.08 -0.10 0.00 0.00 175.22 175.31 3fg6 s VAL 542 N -1.01 2.39 -0.44 -0.44 1.01 -0.37 -0.31 120.40 121.23 3fg6 s VAL 542 Ca 0.05 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3fg6 s VAL 542 Cb -0.09 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.36 3fg6 s VAL 542 CO 0.03 0.51 0.30 -0.22 0.00 0.00 0.00 175.10 175.72 3fg6 s LEU 543 N 1.23 5.39 -0.16 3.92 0.20 0.56 -0.83 118.68 128.99 3fg6 s LEU 543 Ca 0.03 -1.67 -0.24 0.00 0.69 0.00 0.00 54.13 52.94 3fg6 s LEU 543 Cb -0.14 -2.00 -0.02 0.00 -0.43 0.00 0.00 46.19 43.60 3fg6 s LEU 543 CO -0.09 -0.61 0.78 -0.75 -0.29 0.00 0.00 176.35 175.40 3fg6 s LYS 544 N 1.40 4.30 0.38 1.98 2.20 0.57 -2.01 119.74 128.57 3fg6 s LYS 544 Ca 0.04 0.94 -0.00 0.00 -0.36 0.00 0.00 55.97 56.59 3fg6 s LYS 544 Cb -0.24 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 3fg6 s LYS 544 CO 0.01 -0.27 0.59 -0.51 -0.36 0.00 0.00 175.35 174.81 3fg6 s LEU 545 N 1.96 3.91 0.58 5.43 1.43 0.40 -1.21 118.68 131.17 3fg6 s LEU 545 Ca 0.37 0.46 0.33 0.00 -1.03 0.00 0.00 54.13 54.26 3fg6 s LEU 545 Cb -0.17 -3.33 1.79 0.00 0.03 0.00 0.00 46.19 44.51 3fg6 s LEU 545 CO 0.13 -0.40 2.18 -0.65 0.23 0.00 0.00 176.35 177.84 3fg6 h PRO 546 N 0.63 0.00 -0.19 1.29 0.11 -1.85 -2.68 132.00 129.32 3fg6 h PRO 546 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3fg6 h PRO 546 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3fg6 h PRO 546 CO 0.60 0.05 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 3fg6 n GLN 547 N -3.47 1.32 -3.30 1.05 10.64 -1.26 -4.89 117.38 117.48 3fg6 n GLN 547 Ca -0.02 -0.46 -0.16 0.00 -1.83 0.00 0.00 57.00 54.53 3fg6 n GLN 547 Cb 0.17 -1.14 0.08 0.00 -0.86 0.00 0.00 30.24 28.49 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 -0.12 -3.08 -2.76 2.61 3.02 -1.01 -5.04 115.26 108.89 3fg6 n ASN 548 Ca 0.04 -0.52 -0.13 0.00 -0.03 0.00 0.00 54.58 53.94 3fg6 n ASN 548 Cb 0.13 -4.49 -0.03 0.00 -0.61 0.00 0.00 39.78 34.78 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 -2.73 -1.11 0.00 6.41 3.41 -1.25 -2.98 113.62 115.37 3fg6 n SER 549 Ca -0.18 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 3fg6 n SER 549 Cb 0.62 2.11 0.00 0.00 -0.26 0.00 0.00 64.21 66.68 3fg6 n SER 549 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg6 n GLY 550 N -0.51 -0.50 3.20 5.00 0.00 -0.56 -0.45 105.19 111.36 3fg6 n GLY 550 Ca 0.01 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 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 1.71 -0.34 1.61 2.02 -0.85 -0.51 117.35 117.98 3fg6 s TYR 551 Ca 0.00 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.26 3fg6 s TYR 551 Cb 0.00 -1.09 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 3fg6 s TYR 551 CO 0.00 -0.02 0.20 0.42 -1.57 0.00 0.00 175.55 174.58 3fg6 s ILE 552 N -0.47 4.87 -0.51 2.71 1.01 -0.32 -0.32 121.20 128.16 3fg6 s ILE 552 Ca 0.07 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 3fg6 s ILE 552 Cb -0.07 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 38.96 3fg6 s ILE 552 CO -0.01 -0.04 0.45 0.86 0.00 0.00 0.00 174.94 176.21 3fg6 s TRP 553 N 1.64 3.25 -0.32 3.97 -0.00 0.58 -1.09 118.94 126.98 3fg6 s TRP 553 Ca 0.05 -1.17 -0.27 0.00 -0.00 0.00 0.00 56.10 54.70 3fg6 s TRP 553 Cb -0.18 -3.55 0.01 0.00 -0.00 0.00 0.00 33.47 29.76 3fg6 s TRP 553 CO 0.08 -0.94 0.99 0.08 -0.00 0.00 0.00 176.95 177.17 3fg6 s VAL 554 N 1.61 4.59 0.84 5.86 1.01 -0.43 -1.18 120.40 132.69 3fg6 s VAL 554 Ca 0.03 1.57 -0.10 0.00 0.00 0.00 0.00 61.98 63.48 3fg6 s VAL 554 Cb -0.28 -4.34 0.10 0.00 0.00 0.00 0.00 36.38 31.86 3fg6 s VAL 554 CO 0.04 -0.42 1.12 -0.83 0.00 0.00 0.00 175.10 175.01 3fg6 s GLY 555 N 1.65 1.69 0.39 4.51 0.00 -0.95 -1.04 107.32 113.56 3fg6 s GLY 555 Ca 0.42 0.42 0.13 0.00 0.00 0.00 0.00 44.72 45.69 3fg6 s GLY 555 CO 0.15 0.80 1.87 0.50 0.00 0.00 0.00 173.10 176.42 3fg6 h LYS 556 N -1.46 0.01 -0.80 2.90 1.57 -1.67 -3.03 116.57 114.09 3fg6 h LYS 556 Ca -0.43 -0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.78 3fg6 h LYS 556 Cb 1.25 -0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.21 3fg6 h LYS 556 CO 0.47 0.32 -0.14 0.41 -0.57 0.00 0.00 179.45 179.94 3fg6 n GLY 557 N -0.62 6.07 3.88 3.86 0.00 -0.70 -5.03 105.19 112.66 3fg6 n GLY 557 Ca -0.02 -2.40 -0.36 0.00 0.00 0.00 0.00 46.02 43.24 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 -3.65 3.87 0.59 4.61 0.00 -1.15 -4.66 121.76 121.37 3fg6 s ALA 558 Ca 0.55 -0.60 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 3fg6 s ALA 558 Cb 0.45 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3fg6 s ALA 558 CO 0.02 0.64 0.98 -1.54 0.00 0.00 0.00 175.76 175.85 3fg6 s SER 559 N -1.38 6.18 0.29 0.00 1.04 -1.26 -4.98 113.70 113.58 3fg6 s SER 559 Ca 0.21 1.28 -0.00 0.00 0.48 0.00 0.00 55.95 57.92 3fg6 s SER 559 Cb -0.13 -2.37 0.42 0.00 0.10 0.00 0.00 66.02 64.04 3fg6 s SER 559 CO 0.11 -0.83 1.82 -0.61 0.98 0.00 0.00 173.24 174.71 3fg6 h GLN 560 N -0.21 0.77 -0.38 4.02 5.75 -2.00 -2.39 115.11 120.67 3fg6 h GLN 560 Ca -0.45 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 57.88 3fg6 h GLN 560 Cb 1.20 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.62 3fg6 h GLN 560 CO 0.62 0.73 0.21 0.93 -2.65 0.00 0.00 178.83 178.67 3fg6 h GLU 561 N 0.74 0.51 -0.15 1.69 3.07 -2.00 -1.49 114.58 116.96 3fg6 h GLU 561 Ca 0.16 -0.04 -0.15 0.00 -0.50 0.00 0.00 59.36 58.83 3fg6 h GLU 561 Cb 0.33 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3fg6 h GLU 561 CO 0.00 0.37 -0.54 0.93 -1.40 0.00 0.00 179.01 178.38 3fg6 h GLU 562 N 0.52 0.43 -0.47 2.33 5.08 -1.81 -2.20 114.58 118.45 3fg6 h GLU 562 Ca 0.14 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 3fg6 h GLU 562 Cb 0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3fg6 h GLU 562 CO -0.02 0.86 -0.14 1.49 -1.00 0.00 0.00 179.01 180.20 3fg6 h GLU 563 N 0.33 0.90 -0.75 2.33 4.81 -1.03 -1.93 114.58 119.24 3fg6 h GLU 563 Ca 0.01 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 3fg6 h GLU 563 Cb 1.05 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 3fg6 h GLU 563 CO 0.09 0.98 0.37 0.87 -0.73 0.00 0.00 179.01 180.59 3fg6 h LYS 564 N 0.80 1.08 -0.26 1.92 1.57 -1.14 -1.34 116.57 119.19 3fg6 h LYS 564 Ca 0.12 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3fg6 h LYS 564 Cb 0.67 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3fg6 h LYS 564 CO 0.05 0.84 0.17 0.78 -0.57 0.00 0.00 179.45 180.71 3fg6 h GLY 565 N 1.06 0.37 0.07 3.86 0.00 -1.25 -1.70 103.07 105.48 3fg6 h GLY 565 Ca 0.26 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.52 3fg6 h GLY 565 CO -0.03 0.12 -0.31 0.00 0.00 0.00 0.00 176.54 176.32 3fg6 h ALA 566 N 1.10 -0.28 -0.05 3.60 0.00 -1.10 -1.13 119.26 121.40 3fg6 h ALA 566 Ca 0.10 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fg6 h ALA 566 Cb -0.03 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fg6 h ALA 566 CO -0.03 -0.76 0.05 0.93 0.00 0.00 0.00 179.25 179.44 3fg6 h GLU 567 N -0.33 0.00 -0.04 0.00 5.08 -1.04 -1.92 114.58 116.32 3fg6 h GLU 567 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3fg6 h GLU 567 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3fg6 h GLU 567 CO -0.41 0.00 -0.19 -0.92 -1.00 0.00 0.00 179.01 176.49 3fg6 h TYR 568 N 0.00 0.26 -0.64 4.33 3.20 -0.29 -3.08 116.97 120.75 3fg6 h TYR 568 Ca 0.02 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.79 3fg6 h TYR 568 Cb 0.12 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3fg6 h TYR 568 CO 0.00 0.83 0.41 0.28 -1.64 0.00 0.00 178.16 178.04 3fg6 h VAL 569 N -0.38 1.12 -0.72 1.81 2.07 -0.83 -2.40 116.25 116.92 3fg6 h VAL 569 Ca -0.01 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 67.38 3fg6 h VAL 569 Cb 0.86 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 3fg6 h VAL 569 CO 0.04 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.83 3fg6 h ALA 570 N 1.26 0.79 -0.02 1.67 0.00 -1.43 0.24 119.26 121.78 3fg6 h ALA 570 Ca 0.25 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.25 3fg6 h ALA 570 Cb -0.04 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fg6 h ALA 570 CO -0.08 -0.40 -0.52 0.66 0.00 0.00 0.00 179.25 178.92 3fg6 h SER 571 N 0.15 0.05 0.08 0.00 4.64 -1.35 0.37 113.55 117.49 3fg6 h SER 571 Ca 0.39 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.51 3fg6 h SER 571 Cb 0.68 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3fg6 h SER 571 CO -0.59 0.56 -0.66 0.58 -0.87 0.00 0.00 176.83 175.85 3fg6 h VAL 572 N 0.04 1.34 -0.00 0.95 2.07 -0.67 -2.72 116.25 117.25 3fg6 h VAL 572 Ca -0.00 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.55 3fg6 h VAL 572 Cb 0.93 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3fg6 h VAL 572 CO 0.07 0.60 -0.09 0.18 0.02 0.00 0.00 177.57 178.36 3fg6 n LEU 573 N -3.91 0.27 -3.62 2.57 4.77 0.69 -4.94 117.00 112.83 3fg6 n LEU 573 Ca -0.04 0.15 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 3fg6 n LEU 573 Cb 0.67 -0.26 0.04 0.00 -2.33 0.00 0.00 43.42 41.55 3fg6 n LEU 573 CO 0.49 0.05 -0.06 0.29 -1.33 0.00 0.00 177.39 176.83 3fg6 n LYS 574 N -1.16 -3.04 -4.74 3.23 5.02 0.15 -4.98 118.16 112.64 3fg6 n LYS 574 Ca 0.13 0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 56.69 3fg6 n LYS 574 Cb 0.28 -4.90 -0.16 0.00 -0.02 0.00 0.00 35.03 30.22 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 0.73 3.25 0.01 0.00 2.20 -1.16 -4.63 119.74 120.14 3fg6 s LYS 576 Ca -0.09 -0.44 -0.02 0.00 -0.36 0.00 0.00 55.97 55.06 3fg6 s LYS 576 Cb -0.16 -4.12 -0.04 0.00 -1.51 0.00 0.00 37.83 32.00 3fg6 s LYS 576 CO 0.00 -1.66 0.18 0.95 -0.36 0.00 0.00 175.35 174.46 3fg6 s THR 577 N 4.17 5.37 -0.12 3.43 -4.23 -1.26 -1.49 115.64 121.51 3fg6 s THR 577 Ca 0.28 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.55 3fg6 s THR 577 Cb -0.13 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.15 3fg6 s THR 577 CO 0.16 0.28 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.22 3fg6 s LEU 578 N -2.06 3.06 -0.29 4.79 2.96 0.33 -4.93 118.68 122.53 3fg6 s LEU 578 Ca 0.29 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.85 3fg6 s LEU 578 Cb -0.13 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 3fg6 s LEU 578 CO 0.21 0.23 0.58 -0.60 -1.32 0.00 0.00 176.35 175.45 3fg6 s ARG 579 N -0.03 3.94 0.12 1.98 3.52 -1.26 -1.18 118.95 126.04 3fg6 s ARG 579 Ca -0.01 0.27 0.10 0.00 -0.13 0.00 0.00 55.73 55.96 3fg6 s ARG 579 Cb -0.14 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 3fg6 s ARG 579 CO 0.03 -0.50 -0.23 0.96 -0.81 0.00 0.00 175.30 174.76 3fg6 s ILE 580 N 2.48 2.52 0.11 4.11 -4.36 -0.25 -4.97 121.20 120.85 3fg6 s ILE 580 Ca 0.23 -1.63 0.05 0.00 -0.26 0.00 0.00 60.65 59.04 3fg6 s ILE 580 Cb -0.15 -2.13 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 3fg6 s ILE 580 CO 0.11 0.10 0.03 -1.58 0.24 0.00 0.00 174.94 173.84 3fg6 s GLN 581 N -2.07 2.60 0.13 0.37 0.74 -1.26 -1.31 119.66 118.86 3fg6 s GLN 581 Ca 0.16 -0.87 -0.32 0.00 0.05 0.00 0.00 55.36 54.37 3fg6 s GLN 581 Cb -0.10 -2.54 -0.11 0.00 1.10 0.00 0.00 33.01 31.35 3fg6 s GLN 581 CO 0.08 0.52 1.78 -1.91 -0.55 0.00 0.00 175.29 175.21 3fg6 n GLU 582 N 0.32 2.67 0.00 1.67 2.13 -0.21 -0.95 120.64 126.26 3fg6 n GLU 582 Ca -0.10 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.69 3fg6 n GLU 582 Cb 0.53 -2.83 0.00 0.00 0.27 0.00 0.00 31.44 29.40 3fg6 n GLU 582 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fg6 n GLY 583 N 4.08 3.30 0.85 8.31 0.00 -1.26 -4.85 105.19 115.63 3fg6 n GLY 583 Ca 0.18 0.00 0.02 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 -1.48 1.93 -2.15 1.61 4.71 -0.13 -5.04 120.64 120.10 3fg6 n GLU 584 Ca 0.00 -3.05 -0.41 0.00 -0.01 0.00 0.00 57.16 53.68 3fg6 n GLU 584 Cb 0.00 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 28.66 3fg6 n GLU 584 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3fg6 s GLU 585 N -3.11 4.34 1.04 3.49 8.01 -1.17 -4.51 118.70 126.79 3fg6 s GLU 585 Ca 0.41 2.13 -0.14 0.00 0.01 0.00 0.00 54.97 57.38 3fg6 s GLU 585 Cb 0.37 -3.18 0.21 0.00 -4.31 0.00 0.00 34.13 27.22 3fg6 s GLU 585 CO 0.01 -0.33 1.11 -1.25 0.01 0.00 0.00 175.26 174.81 3fg6 s PRO 586 N 0.03 0.07 0.33 0.39 0.04 -1.26 -4.97 135.00 129.64 3fg6 s PRO 586 Ca 0.59 0.28 0.24 0.00 0.04 0.00 0.00 61.00 62.15 3fg6 s PRO 586 Cb -0.38 -1.72 0.48 0.00 0.04 0.00 0.00 34.50 32.92 3fg6 s PRO 586 CO 0.38 -2.92 1.62 1.49 0.04 0.00 0.00 177.00 177.61 3fg6 h GLU 587 N -2.02 0.00 0.00 4.56 4.57 -2.02 -3.20 114.58 116.47 3fg6 h GLU 587 Ca -0.51 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 3fg6 h GLU 587 Cb 1.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 3fg6 h GLU 587 CO 0.52 0.00 -0.13 1.49 -1.18 0.00 0.00 179.01 179.71 3fg6 h GLU 588 N 0.00 0.00 -0.62 1.92 4.81 -1.99 -3.02 114.58 115.67 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 0.90 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.25 3fg6 h GLU 588 CO 0.00 0.13 0.34 0.35 -0.73 0.00 0.00 179.01 179.10 3fg6 h PHE 589 N 0.00 0.86 -0.19 0.92 3.04 -1.94 -2.11 116.94 117.52 3fg6 h PHE 589 Ca -0.00 -0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.77 3fg6 h PHE 589 Cb 0.98 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 3fg6 h PHE 589 CO 0.00 0.62 -0.52 -1.49 -2.02 0.00 0.00 178.31 174.90 3fg6 h TRP 590 N 0.84 0.66 -0.50 0.41 -0.00 -1.70 -2.97 115.95 112.69 3fg6 h TRP 590 Ca 0.22 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.89 58.86 3fg6 h TRP 590 Cb 0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.06 3fg6 h TRP 590 CO -0.01 0.94 0.21 -0.91 -0.00 0.00 0.00 178.44 178.68 3fg6 h ASN 591 N 0.41 0.64 1.28 -3.49 4.21 -1.38 0.36 115.58 117.62 3fg6 h ASN 591 Ca 0.01 -0.07 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 3fg6 h ASN 591 Cb 1.05 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.08 3fg6 h ASN 591 CO 0.10 0.57 -0.38 0.28 -1.29 0.00 0.00 177.43 176.71 3fg6 h SER 592 N 0.70 0.00 -0.02 5.81 0.02 -1.30 -2.51 113.55 116.26 3fg6 h SER 592 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3fg6 h SER 592 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3fg6 h SER 592 CO -0.02 0.38 0.00 0.18 -1.14 0.00 0.00 176.83 176.23 3fg6 n LEU 593 N -3.30 1.27 -0.89 5.07 4.77 -1.05 -4.94 117.00 117.93 3fg6 n LEU 593 Ca 0.01 -0.44 -0.03 0.00 -0.03 0.00 0.00 56.01 55.53 3fg6 n LEU 593 Cb 0.61 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.70 3fg6 n LEU 593 CO 0.38 0.22 0.03 0.61 -1.33 0.00 0.00 177.39 177.29 3fg6 n GLY 594 N 1.14 0.76 0.00 -0.72 0.00 -0.93 -3.53 105.19 101.90 3fg6 n GLY 594 Ca 0.19 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.65 3fg6 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg6 n GLY 595 N -0.70 2.58 3.58 -0.02 0.00 0.12 -4.94 105.19 105.82 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 -4.03 3.49 0.27 1.61 2.20 -1.26 -4.53 119.74 117.50 3fg6 s LYS 596 Ca 0.00 0.27 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 3fg6 s LYS 596 Cb 0.00 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 3fg6 s LYS 596 CO 0.00 -1.71 0.31 0.15 -0.36 0.00 0.00 175.35 173.74 3fg6 s LYS 597 N 5.01 3.10 0.10 4.03 1.02 -1.26 -5.09 119.74 126.67 3fg6 s LYS 597 Ca 0.44 -0.98 -0.31 0.00 0.02 0.00 0.00 55.97 55.14 3fg6 s LYS 597 Cb -0.08 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.46 3fg6 s LYS 597 CO 0.25 0.32 1.29 -0.51 -0.92 0.00 0.00 175.35 175.78 3fg6 s ASP 598 N -3.96 6.95 0.17 2.83 -0.00 -1.26 -4.75 116.67 116.66 3fg6 s ASP 598 Ca 0.36 2.20 0.01 0.00 -0.00 0.00 0.00 52.55 55.12 3fg6 s ASP 598 Cb -0.08 -2.59 -0.04 0.00 -0.00 0.00 0.00 42.92 40.21 3fg6 s ASP 598 CO 0.27 -0.55 0.04 -0.72 -0.00 0.00 0.00 175.17 174.22 3fg6 s TYR 599 N 0.93 1.15 -0.00 4.23 -0.85 -1.26 -4.54 117.35 117.00 3fg6 s TYR 599 Ca 0.61 -1.14 -0.39 0.00 -0.52 0.00 0.00 57.07 55.63 3fg6 s TYR 599 Cb -0.33 -0.65 -0.19 0.00 0.38 0.00 0.00 41.96 41.17 3fg6 s TYR 599 CO 0.31 -0.36 1.21 1.04 -1.52 0.00 0.00 175.55 176.23 3fg6 n GLN 600 N -0.23 0.42 -3.36 -3.49 1.13 -1.25 -4.93 117.38 105.66 3fg6 n GLN 600 Ca -0.05 0.15 -0.15 0.00 -1.94 0.00 0.00 57.00 55.02 3fg6 n GLN 600 Cb 0.64 -1.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.20 3fg6 n GLN 600 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3fg6 s THR 601 N 0.41 -0.47 -0.10 5.09 2.01 -1.26 -2.83 115.64 118.50 3fg6 s THR 601 Ca 0.90 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 62.21 3fg6 s THR 601 Cb -1.17 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 70.45 3fg6 s THR 601 CO 0.55 -0.43 0.47 -0.94 -0.69 0.00 0.00 174.62 173.58 3fg6 s SER 602 N 2.29 -0.43 -0.01 3.53 1.04 -1.26 -5.07 113.70 113.78 3fg6 s SER 602 Ca 0.11 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 56.99 3fg6 s SER 602 Cb -0.13 0.66 -0.34 0.00 0.10 0.00 0.00 66.02 66.31 3fg6 s SER 602 CO -0.28 -0.36 0.88 -0.65 0.98 0.00 0.00 173.24 173.81 3fg6 h PRO 603 N 4.35 0.46 -5.92 4.02 0.11 -2.00 -3.45 132.00 129.57 3fg6 h PRO 603 Ca -0.28 -0.78 -0.64 0.00 0.11 0.00 0.00 66.00 64.41 3fg6 h PRO 603 Cb 1.17 0.29 -0.07 0.00 0.11 0.00 0.00 31.00 32.50 3fg6 h PRO 603 CO 0.31 1.37 -0.53 -1.25 -0.21 0.00 0.00 178.00 177.69 3fg6 s PRO 613 N -2.56 3.27 0.30 1.05 0.04 -1.26 -5.09 135.00 130.74 3fg6 s PRO 613 Ca -0.12 -0.42 -0.29 0.00 0.04 0.00 0.00 61.00 60.20 3fg6 s PRO 613 Cb 0.04 -2.98 -0.10 0.00 0.04 0.00 0.00 34.50 31.50 3fg6 s PRO 613 CO 0.90 0.65 1.17 -1.25 0.04 0.00 0.00 177.00 178.50 3fg6 s PRO 614 N -2.00 4.54 -0.04 0.56 0.04 -1.26 -4.87 135.00 131.97 3fg6 s PRO 614 Ca 0.27 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.27 3fg6 s PRO 614 Cb -0.12 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3fg6 s PRO 614 CO 0.19 0.08 -0.10 1.03 0.04 0.00 0.00 177.00 178.23 3fg6 s ARG 615 N -1.57 1.24 -0.10 4.56 0.52 -0.86 -5.00 118.95 117.73 3fg6 s ARG 615 Ca 0.46 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3fg6 s ARG 615 Cb -0.34 -1.11 -0.02 0.00 0.52 0.00 0.00 34.95 34.00 3fg6 s ARG 615 CO 0.45 0.08 -0.13 -1.17 0.02 0.00 0.00 175.30 174.55 3fg6 s LEU 616 N 0.38 2.77 0.04 2.53 2.96 -1.26 -1.06 118.68 125.04 3fg6 s LEU 616 Ca -0.07 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 3fg6 s LEU 616 Cb -0.12 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 3fg6 s LEU 616 CO 0.01 0.24 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.76 3fg6 s TYR 617 N -0.09 1.87 -0.32 5.38 1.51 0.97 0.54 117.35 127.21 3fg6 s TYR 617 Ca -0.02 -0.38 -0.11 0.00 -1.01 0.00 0.00 57.07 55.56 3fg6 s TYR 617 Cb -0.14 -1.13 -0.01 0.00 -0.11 0.00 0.00 41.96 40.57 3fg6 s TYR 617 CO 0.04 0.08 0.19 0.20 -1.11 0.00 0.00 175.55 174.95 3fg6 s GLY 618 N -1.12 1.91 -0.27 0.71 0.00 0.28 -1.10 107.32 107.72 3fg6 s GLY 618 Ca 0.08 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.35 3fg6 s GLY 618 CO 0.02 0.72 0.09 0.00 0.00 0.00 0.00 173.10 173.93 3fg6 s SER 620 N 1.59 0.32 -0.07 0.00 0.15 -1.02 -1.65 113.70 113.01 3fg6 s SER 620 Ca 0.05 -0.90 0.14 0.00 0.70 0.00 0.00 55.95 55.94 3fg6 s SER 620 Cb -0.16 0.27 0.27 0.00 -1.71 0.00 0.00 66.02 64.69 3fg6 s SER 620 CO 0.04 -0.68 1.13 -0.46 1.20 0.00 0.00 173.24 174.47 3fg6 n ASN 621 N 0.01 1.16 0.20 5.45 2.04 -1.26 -0.90 115.26 121.95 3fg6 n ASN 621 Ca -0.13 -2.65 0.05 0.00 -0.44 0.00 0.00 54.58 51.42 3fg6 n ASN 621 Cb 0.62 -0.35 0.40 0.00 -2.53 0.00 0.00 39.78 37.92 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 0.48 0.00 -0.08 -3.83 2.10 -1.98 -2.07 116.57 111.20 3fg6 h LYS 622 Ca -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3fg6 h LYS 622 Cb 1.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 3fg6 h LYS 622 CO 0.03 0.35 0.00 0.25 -2.00 0.00 0.00 179.45 178.08 3fg6 n THR 623 N -3.76 0.10 0.00 0.07 -2.24 -1.26 -4.94 114.28 102.24 3fg6 n THR 623 Ca -0.01 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3fg6 n THR 623 Cb 0.44 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.75 2.17 3.80 3.38 0.00 -0.78 -4.99 105.19 109.52 3fg6 n GLY 624 Ca 0.08 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 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 3.51 -0.42 1.61 1.81 -1.26 -4.91 118.95 119.29 3fg6 s ARG 625 Ca 0.00 1.27 -0.25 0.00 -1.72 0.00 0.00 55.73 55.03 3fg6 s ARG 625 Cb 0.00 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.46 3fg6 s ARG 625 CO 0.00 -0.67 0.90 0.12 -0.68 0.00 0.00 175.30 174.98 3fg6 s PHE 626 N -2.27 3.00 -0.09 -0.53 5.36 -1.26 -4.31 117.98 117.88 3fg6 s PHE 626 Ca 0.65 0.54 0.04 0.00 -0.96 0.00 0.00 56.93 57.20 3fg6 s PHE 626 Cb -0.16 -3.78 -0.00 0.00 -0.34 0.00 0.00 43.02 38.74 3fg6 s PHE 626 CO 0.30 -0.95 -0.24 0.14 -1.46 0.00 0.00 175.22 173.01 3fg6 s VAL 627 N 3.56 2.09 -0.25 3.12 -7.23 -0.08 -4.98 120.40 116.64 3fg6 s VAL 627 Ca 0.36 -1.02 -0.10 0.00 -1.81 0.00 0.00 61.98 59.41 3fg6 s VAL 627 Cb -0.11 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3fg6 s VAL 627 CO 0.22 0.56 0.16 -0.63 -0.31 0.00 0.00 175.10 175.10 3fg6 s ILE 628 N 0.21 5.27 0.02 -0.62 1.01 -1.26 -2.42 121.20 123.40 3fg6 s ILE 628 Ca -0.15 0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.69 3fg6 s ILE 628 Cb -0.17 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.82 3fg6 s ILE 628 CO 0.08 0.33 -0.12 -1.83 0.00 0.00 0.00 174.94 173.39 3fg6 s GLU 629 N 1.19 0.90 0.27 2.79 -1.05 -0.54 -4.96 118.70 117.31 3fg6 s GLU 629 Ca 0.07 -0.60 -0.29 0.00 -0.15 0.00 0.00 54.97 54.00 3fg6 s GLU 629 Cb -0.14 -0.88 -0.09 0.00 -0.44 0.00 0.00 34.13 32.58 3fg6 s GLU 629 CO 0.06 0.23 0.97 -2.00 0.95 0.00 0.00 175.26 175.46 3fg6 s GLU 630 N -0.77 4.74 -0.16 -4.83 2.12 -1.26 0.10 118.70 118.65 3fg6 s GLU 630 Ca 0.02 1.51 -0.29 0.00 0.36 0.00 0.00 54.97 56.56 3fg6 s GLU 630 Cb -0.06 -3.14 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 3fg6 s GLU 630 CO 0.00 0.40 1.08 0.42 -0.54 0.00 0.00 175.26 176.62 3fg6 s ILE 631 N -1.29 4.60 0.30 -3.70 -1.09 0.19 -4.85 121.20 115.36 3fg6 s ILE 631 Ca 0.44 1.91 -0.19 0.00 -2.23 0.00 0.00 60.65 60.58 3fg6 s ILE 631 Cb -0.25 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.31 3fg6 s ILE 631 CO 0.32 -0.09 0.78 -2.16 -1.23 0.00 0.00 174.94 172.56 3fg6 s PRO 632 N 2.72 4.18 3.38 2.79 0.04 -1.26 -4.65 135.00 142.20 3fg6 s PRO 632 Ca 0.49 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.40 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 0.13 0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.81 3fg6 n GLY 633 N 0.09 0.02 3.76 0.56 0.00 -1.26 -4.70 105.19 103.66 3fg6 n GLY 633 Ca 0.02 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 4.57 0.19 1.61 0.41 -1.26 -5.04 118.70 119.18 3fg6 s GLU 634 Ca 0.00 1.90 0.09 0.00 -0.41 0.00 0.00 54.97 56.55 3fg6 s GLU 634 Cb 0.00 -3.16 -0.04 0.00 -1.78 0.00 0.00 34.13 29.15 3fg6 s GLU 634 CO 0.00 0.12 -0.08 -0.59 -0.49 0.00 0.00 175.26 174.22 3fg6 s PHE 635 N -1.15 2.65 0.33 1.61 -0.12 -1.26 -5.04 117.98 115.00 3fg6 s PHE 635 Ca 0.46 -0.22 0.08 0.00 -0.05 0.00 0.00 56.93 57.19 3fg6 s PHE 635 Cb -0.34 -1.28 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 3fg6 s PHE 635 CO 0.44 0.53 0.27 0.25 -0.05 0.00 0.00 175.22 176.66 3fg6 n THR 636 N -0.11 0.00 -0.31 -4.49 -2.24 -1.26 -4.68 114.28 101.19 3fg6 n THR 636 Ca -0.10 -2.40 0.10 0.00 -2.27 0.00 0.00 64.05 59.38 3fg6 n THR 636 Cb 0.56 1.18 0.27 0.00 -2.10 0.00 0.00 70.33 70.24 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 -1.92 -1.14 115.11 116.00 3fg6 h GLN 637 Ca -0.23 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.15 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 0.34 0.38 0.00 -0.25 -1.93 0.00 0.00 178.83 177.38 3fg6 n ASP 638 N -4.89 0.00 0.18 -0.69 9.92 -1.26 -2.03 116.55 117.79 3fg6 n ASP 638 Ca 0.20 0.36 0.13 0.00 -0.53 0.00 0.00 54.79 54.95 3fg6 n ASP 638 Cb 0.52 -0.44 0.35 0.00 -0.64 0.00 0.00 41.12 40.92 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 -2.55 -2.24 3.32 -1.61 -3.43 116.42 109.91 3fg6 h ASP 639 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3fg6 h ASP 639 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 3fg6 h ASP 639 CO 0.00 0.00 1.20 -0.76 -1.72 0.00 0.00 179.24 177.96 3fg6 s LEU 640 N -5.51 3.39 -0.43 1.55 1.43 -0.86 -4.92 118.68 113.33 3fg6 s LEU 640 Ca 0.07 0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 53.38 3fg6 s LEU 640 Cb 0.08 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.29 3fg6 s LEU 640 CO 0.60 -1.90 1.90 0.00 0.23 0.00 0.00 176.35 177.19 3fg6 s ALA 641 N 7.07 2.52 0.50 4.21 0.00 -1.26 -4.84 121.76 129.96 3fg6 s ALA 641 Ca 0.61 -0.01 0.29 0.00 0.00 0.00 0.00 51.96 52.85 3fg6 s ALA 641 Cb -0.13 -4.14 1.39 0.00 0.00 0.00 0.00 23.12 20.24 3fg6 s ALA 641 CO 0.25 -3.22 1.84 1.49 0.00 0.00 0.00 175.76 176.13 3fg6 h GLU 642 N 14.34 0.11 -0.57 0.00 4.81 -1.93 -0.44 114.58 130.90 3fg6 h GLU 642 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3fg6 h GLU 642 Cb 1.18 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3fg6 h GLU 642 CO 1.10 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 179.05 3fg6 n ASP 643 N -4.33 4.27 -0.77 1.04 5.75 -1.26 -2.29 116.55 118.96 3fg6 n ASP 643 Ca 0.22 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3fg6 n ASP 643 Cb 0.99 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.93 0.18 -4.42 -1.12 10.43 -0.17 -3.85 116.55 118.52 3fg6 n ASP 644 Ca 0.23 -0.70 -0.33 0.00 2.57 0.00 0.00 54.79 56.56 3fg6 n ASP 644 Cb 0.78 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.60 3fg6 n ASP 644 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3fg6 s VAL 645 N -1.59 2.92 -0.10 2.53 1.01 -0.66 -1.83 120.40 122.69 3fg6 s VAL 645 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3fg6 s VAL 645 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3fg6 s VAL 645 CO 0.00 0.57 -0.14 -0.04 0.00 0.00 0.00 175.10 175.49 3fg6 s MET 646 N -0.39 3.02 -0.26 2.72 1.00 0.40 0.04 119.30 125.83 3fg6 s MET 646 Ca 0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 55.69 54.94 3fg6 s MET 646 Cb -0.12 -2.51 -0.04 0.00 0.00 0.00 0.00 34.83 32.16 3fg6 s MET 646 CO 0.02 0.37 0.13 -0.51 0.00 0.00 0.00 175.02 175.02 3fg6 s LEU 647 N -0.06 3.73 -0.35 -0.03 1.43 -0.26 0.05 118.68 123.18 3fg6 s LEU 647 Ca -0.03 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3fg6 s LEU 647 Cb -0.14 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.14 3fg6 s LEU 647 CO 0.04 -0.03 0.10 -0.22 0.23 0.00 0.00 176.35 176.47 3fg6 s LEU 648 N 1.62 4.57 -0.74 1.79 2.96 0.03 -0.02 118.68 128.89 3fg6 s LEU 648 Ca 0.07 -1.62 -0.24 0.00 -0.22 0.00 0.00 54.13 52.11 3fg6 s LEU 648 Cb -0.15 -1.78 0.05 0.00 0.50 0.00 0.00 46.19 44.81 3fg6 s LEU 648 CO 0.07 -0.40 1.16 -0.62 -1.32 0.00 0.00 176.35 175.24 3fg6 s ASP 649 N 1.51 6.21 -0.09 3.68 2.15 -0.22 -0.79 116.67 129.12 3fg6 s ASP 649 Ca 0.02 -0.82 0.10 0.00 0.43 0.00 0.00 52.55 52.27 3fg6 s ASP 649 Cb -0.21 -2.50 0.44 0.00 -0.30 0.00 0.00 42.92 40.35 3fg6 s ASP 649 CO -0.02 -1.62 1.25 0.00 -0.17 0.00 0.00 175.17 174.62 3fg6 n ALA 650 N 8.53 2.99 0.00 3.66 0.00 0.33 -2.04 120.51 133.98 3fg6 n ALA 650 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.50 3fg6 n ALA 650 Cb 0.48 -1.04 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 0.50 0.00 0.54 0.00 -0.00 -1.26 -3.97 117.44 113.25 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 0.64 0.00 0.43 0.00 -0.00 0.00 0.00 31.31 32.38 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 0.11 -3.59 5.87 0.28 -1.26 -4.83 120.64 117.23 3fg6 n GLU 652 Ca 0.00 0.28 -0.14 0.00 -0.16 0.00 0.00 57.16 57.15 3fg6 n GLU 652 Cb 0.00 -1.69 -0.06 0.00 1.43 0.00 0.00 31.44 31.12 3fg6 n GLU 652 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3fg6 s GLN 653 N -3.14 0.79 -0.17 3.44 0.74 -1.25 -4.31 119.66 115.75 3fg6 s GLN 653 Ca 0.07 0.55 0.00 0.00 0.05 0.00 0.00 55.36 56.04 3fg6 s GLN 653 Cb 0.11 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.61 3fg6 s GLN 653 CO 0.40 -0.18 -0.17 0.42 -0.55 0.00 0.00 175.29 175.21 3fg6 s ILE 654 N -0.37 2.41 -0.14 -2.34 1.01 -0.74 -0.52 121.20 120.51 3fg6 s ILE 654 Ca -0.03 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.71 3fg6 s ILE 654 Cb -0.03 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 3fg6 s ILE 654 CO 0.02 0.52 0.13 -0.36 0.00 0.00 0.00 174.94 175.25 3fg6 s PHE 655 N 1.14 3.50 -0.34 3.97 0.08 0.03 -0.76 117.98 125.60 3fg6 s PHE 655 Ca 0.01 0.43 -0.02 0.00 0.12 0.00 0.00 56.93 57.47 3fg6 s PHE 655 Cb -0.14 -2.00 0.07 0.00 -0.57 0.00 0.00 43.02 40.38 3fg6 s PHE 655 CO -0.07 0.56 0.07 0.42 -0.10 0.00 0.00 175.22 176.11 3fg6 s ILE 656 N -0.54 3.04 -0.30 0.64 1.01 -0.44 -0.79 121.20 123.81 3fg6 s ILE 656 Ca 0.12 -1.67 -0.18 0.00 0.00 0.00 0.00 60.65 58.92 3fg6 s ILE 656 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 3fg6 s ILE 656 CO 0.02 -0.33 0.52 0.86 0.00 0.00 0.00 174.94 176.00 3fg6 s TRP 657 N 1.19 3.22 -0.32 3.97 -0.00 0.11 0.09 118.94 127.20 3fg6 s TRP 657 Ca 0.00 0.43 -0.13 0.00 -0.00 0.00 0.00 56.10 56.40 3fg6 s TRP 657 Cb -0.21 -2.83 -0.03 0.00 -0.00 0.00 0.00 33.47 30.41 3fg6 s TRP 657 CO -0.03 -0.41 0.25 0.42 -0.00 0.00 0.00 176.95 177.19 3fg6 s ILE 658 N 2.37 5.27 0.62 5.86 1.01 0.98 -0.45 121.20 136.85 3fg6 s ILE 658 Ca 0.20 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 3fg6 s ILE 658 Cb -0.15 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 3fg6 s ILE 658 CO 0.11 0.05 1.08 -0.83 0.00 0.00 0.00 174.94 175.35 3fg6 s GLY 659 N 1.73 2.16 0.22 6.18 0.00 -0.76 -2.00 107.32 114.84 3fg6 s GLY 659 Ca 0.07 0.47 0.16 0.00 0.00 0.00 0.00 44.72 45.43 3fg6 s GLY 659 CO 0.11 0.81 1.50 0.58 0.00 0.00 0.00 173.10 176.10 3fg6 n LYS 660 N -2.16 0.11 -0.19 2.90 2.85 -0.97 -2.71 118.16 117.98 3fg6 n LYS 660 Ca 0.10 0.55 0.08 0.00 -1.05 0.00 0.00 58.31 57.99 3fg6 n LYS 660 Cb 0.52 -1.81 0.12 0.00 -0.65 0.00 0.00 35.03 33.22 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 -2.03 1.95 -4.83 -5.58 8.00 -1.11 -5.05 116.55 107.90 3fg6 n ASP 661 Ca -0.00 -2.98 -0.33 0.00 0.71 0.00 0.00 54.79 52.18 3fg6 n ASP 661 Cb 0.06 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.46 3.09 0.84 2.24 0.00 -1.10 -4.65 121.76 119.72 3fg6 s ALA 662 Ca 0.28 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 3fg6 s ALA 662 Cb 0.25 -3.08 0.10 0.00 0.00 0.00 0.00 23.12 20.39 3fg6 s ALA 662 CO 0.02 0.16 1.15 -0.80 0.00 0.00 0.00 175.76 176.29 3fg6 s ASN 663 N -2.20 3.51 0.28 0.00 -0.87 -1.26 -4.95 114.94 109.45 3fg6 s ASN 663 Ca 0.61 2.17 0.08 0.00 -1.57 0.00 0.00 52.86 54.15 3fg6 s ASN 663 Cb -0.09 -2.56 0.40 0.00 -0.02 0.00 0.00 41.25 38.97 3fg6 s ASN 663 CO 0.14 -2.71 1.64 -0.33 -2.57 0.00 0.00 177.10 173.27 3fg6 h GLU 664 N -1.36 0.11 -0.30 -0.60 4.39 -2.00 -2.88 114.58 111.94 3fg6 h GLU 664 Ca -0.44 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.04 3fg6 h GLU 664 Cb 1.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 3fg6 h GLU 664 CO 0.45 0.62 -0.43 -0.39 -1.16 0.00 0.00 179.01 178.11 3fg6 h VAL 665 N 0.08 1.29 -0.66 3.13 -1.51 -1.99 -2.07 116.25 114.53 3fg6 h VAL 665 Ca -0.00 -1.61 0.03 0.00 -1.23 0.00 0.00 66.70 63.89 3fg6 h VAL 665 Cb 0.99 1.51 -0.04 0.00 -2.13 0.00 0.00 31.29 31.62 3fg6 h VAL 665 CO 0.08 0.52 0.40 -0.33 -1.23 0.00 0.00 177.57 177.01 3fg6 h GLU 666 N 0.61 0.75 -0.18 5.19 5.08 -1.92 0.94 114.58 125.05 3fg6 h GLU 666 Ca 0.04 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3fg6 h GLU 666 Cb 0.99 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3fg6 h GLU 666 CO 0.09 0.50 0.10 0.87 -1.00 0.00 0.00 179.01 179.58 3fg6 h LYS 667 N 0.78 0.25 0.00 2.33 1.57 -1.36 -2.58 116.57 117.56 3fg6 h LYS 667 Ca 0.27 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 3fg6 h LYS 667 Cb 0.05 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3fg6 h LYS 667 CO -0.12 0.23 -0.60 0.87 -0.57 0.00 0.00 179.45 179.27 3fg6 h LYS 668 N 0.20 0.00 0.00 3.15 6.56 -0.97 -1.86 116.57 123.66 3fg6 h LYS 668 Ca 0.06 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.43 3fg6 h LYS 668 Cb 0.05 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 3fg6 h LYS 668 CO -0.01 0.60 -1.16 0.93 -2.06 0.00 0.00 179.45 177.75 3fg6 h GLU 669 N 0.00 0.00 -0.02 3.15 4.39 -0.85 -0.44 114.58 120.81 3fg6 h GLU 669 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.48 3fg6 h GLU 669 Cb 1.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.02 3fg6 h GLU 669 CO 0.08 0.81 -0.88 0.66 -1.16 0.00 0.00 179.01 178.51 3fg6 h SER 670 N 0.00 0.50 -0.65 1.42 4.64 -1.50 0.62 113.55 118.58 3fg6 h SER 670 Ca -0.08 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.84 3fg6 h SER 670 Cb 1.80 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 63.70 3fg6 h SER 670 CO 0.11 1.17 0.36 0.25 -0.87 0.00 0.00 176.83 177.85 3fg6 h LEU 671 N 0.23 0.82 0.28 5.97 6.46 -1.35 -2.42 115.31 125.30 3fg6 h LEU 671 Ca -0.06 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.59 3fg6 h LEU 671 Cb 1.50 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 3fg6 h LEU 671 CO 0.15 0.67 -0.13 0.11 -0.62 0.00 0.00 178.44 178.62 3fg6 h LYS 672 N 0.89 -0.36 0.00 1.25 6.56 -0.99 -3.25 116.57 120.68 3fg6 h LYS 672 Ca 0.23 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3fg6 h LYS 672 Cb 0.04 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 3fg6 h LYS 672 CO -0.04 -0.15 0.00 0.43 -2.06 0.00 0.00 179.45 177.63 3fg6 n SER 673 N -5.19 0.00 -0.05 0.86 7.64 0.20 -1.63 113.62 115.45 3fg6 n SER 673 Ca -0.10 -1.24 -0.02 0.00 1.01 0.00 0.00 58.87 58.52 3fg6 n SER 673 Cb 0.21 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.29 3fg6 n SER 673 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fg6 n ALA 674 N -0.66 1.96 0.67 -0.43 0.00 -0.92 -4.50 120.51 116.63 3fg6 n ALA 674 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3fg6 n ALA 674 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 19.25 3fg6 n ALA 674 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fg6 n LYS 675 N -2.37 0.67 -0.11 0.00 5.02 -0.64 -2.67 118.16 118.06 3fg6 n LYS 675 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 55.90 3fg6 n LYS 675 Cb 0.78 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3fg6 n LYS 675 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3fg6 n MET 676 N 0.17 0.56 -1.79 1.97 2.81 -1.26 -4.76 117.12 114.82 3fg6 n MET 676 Ca 0.00 0.51 -0.38 0.00 -1.81 0.00 0.00 57.70 56.02 3fg6 n MET 676 Cb 0.17 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 30.95 3fg6 n MET 676 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3fg6 n TYR 677 N -4.41 2.86 -4.87 2.03 4.01 -1.09 -5.22 117.16 110.47 3fg6 n TYR 677 Ca -0.35 -2.01 -0.30 0.00 -0.16 0.00 0.00 57.90 55.08 3fg6 n TYR 677 Cb 0.69 -2.30 -0.14 0.00 -0.31 0.00 0.00 39.34 37.28 3fg6 n TYR 677 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fg6 s LEU 678 N 5.31 2.20 0.00 7.72 1.43 -1.26 -5.10 118.68 128.98 3fg6 s LEU 678 Ca 0.59 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3fg6 s LEU 678 Cb 0.07 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 45.00 3fg6 s LEU 678 CO 0.09 0.26 0.00 0.41 0.23 0.00 0.00 176.35 177.34 3fg6 n THR 689 N 1.72 0.00 -1.33 5.49 -1.04 -1.26 -5.26 114.28 112.60 3fg6 n THR 689 Ca -0.17 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.49 3fg6 n THR 689 Cb 0.52 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.13 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 1.72 0.50 -3.52 -2.82 -0.02 -1.26 -4.87 135.00 124.72 3fg6 n PRO 690 Ca 0.00 0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 61.42 3fg6 n PRO 690 Cb 0.00 -2.33 -0.14 0.00 -0.02 0.00 0.00 33.50 31.01 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 -1.85 0.06 -0.17 4.25 2.07 -1.26 -1.79 121.20 122.51 3fg6 s ILE 691 Ca 0.75 -1.18 -0.12 0.00 -1.41 0.00 0.00 60.65 58.68 3fg6 s ILE 691 Cb -0.33 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.15 3fg6 s ILE 691 CO 0.49 -0.83 0.24 -0.69 -1.91 0.00 0.00 174.94 172.23 3fg6 s VAL 692 N 1.65 5.34 -0.18 4.00 1.01 0.06 -4.97 120.40 127.32 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 0.27 -0.63 0.00 0.00 0.00 175.10 174.95 3fg6 s ILE 693 N 0.34 5.32 -0.09 2.22 1.01 -1.26 -1.33 121.20 127.40 3fg6 s ILE 693 Ca 0.14 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.29 3fg6 s ILE 693 Cb -0.12 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3fg6 s ILE 693 CO 0.02 0.38 -0.16 -0.63 0.00 0.00 0.00 174.94 174.55 3fg6 s ILE 694 N 0.60 1.49 0.20 2.92 1.09 0.11 -4.94 121.20 122.67 3fg6 s ILE 694 Ca 0.15 -0.67 -0.15 0.00 -1.10 0.00 0.00 60.65 58.87 3fg6 s ILE 694 Cb -0.13 -1.34 -0.08 0.00 -1.06 0.00 0.00 42.46 39.86 3fg6 s ILE 694 CO 0.03 0.44 0.62 -0.54 -0.10 0.00 0.00 174.94 175.39 3fg6 s LYS 695 N 0.67 4.03 0.28 2.79 -0.14 -1.26 -0.02 119.74 126.09 3fg6 s LYS 695 Ca -0.13 0.58 -0.30 0.00 -1.36 0.00 0.00 55.97 54.76 3fg6 s LYS 695 Cb -0.16 -2.80 -0.11 0.00 -1.68 0.00 0.00 37.83 33.07 3fg6 s LYS 695 CO 0.04 0.39 1.58 -1.14 -0.76 0.00 0.00 175.35 175.46 3fg6 s GLN 696 N -2.24 4.14 0.00 1.68 0.74 -0.85 -2.37 119.66 120.77 3fg6 s GLN 696 Ca 0.43 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.38 3fg6 s GLN 696 Cb -0.14 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 30.93 3fg6 s GLN 696 CO 0.20 -0.61 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 3fg6 n GLY 697 N 2.27 0.77 0.00 2.59 0.00 -1.26 -4.84 105.19 104.72 3fg6 n GLY 697 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.40 0.00 -1.64 1.61 8.25 -1.00 -5.10 115.22 114.95 3fg6 n HIS 698 Ca 0.00 -0.29 -0.48 0.00 -0.26 0.00 0.00 57.72 56.69 3fg6 n HIS 698 Cb 0.00 -0.03 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 3fg6 n HIS 698 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg6 n GLU 699 N -0.30 1.75 -2.01 -0.41 4.71 -1.24 -4.88 120.64 118.27 3fg6 n GLU 699 Ca 0.00 0.63 -0.33 0.00 -0.01 0.00 0.00 57.16 57.45 3fg6 n GLU 699 Cb 0.36 -2.32 0.02 0.00 -1.01 0.00 0.00 31.44 28.49 3fg6 n GLU 699 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 3fg6 s PRO 700 N 0.45 3.24 0.49 3.49 0.04 -1.26 -4.84 135.00 136.61 3fg6 s PRO 700 Ca 0.78 1.24 0.18 0.00 0.04 0.00 0.00 61.00 63.25 3fg6 s PRO 700 Cb -0.77 -2.02 1.21 0.00 0.04 0.00 0.00 34.50 32.96 3fg6 s PRO 700 CO 0.44 -0.88 2.02 -1.35 0.04 0.00 0.00 177.00 177.28 3fg6 h PRO 701 N 0.40 0.17 0.00 0.56 0.11 -1.89 -0.94 132.00 130.42 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 0.11 -0.15 0.00 -0.21 0.00 0.00 178.00 178.32 3fg6 h THR 702 N 0.17 0.79 0.08 -1.15 1.03 -1.91 -1.54 112.91 110.39 3fg6 h THR 702 Ca 0.20 -0.59 -0.31 0.00 -0.01 0.00 0.00 66.41 65.71 3fg6 h THR 702 Cb 0.58 1.35 -0.02 0.00 -1.07 0.00 0.00 68.15 68.99 3fg6 h THR 702 CO -0.03 0.15 -1.65 0.15 -0.01 0.00 0.00 175.52 174.13 3fg6 h PHE 703 N 0.00 0.31 -0.02 0.00 3.57 -1.59 -3.39 116.94 115.83 3fg6 h PHE 703 Ca -0.00 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.28 3fg6 h PHE 703 Cb 0.34 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3fg6 h PHE 703 CO 0.00 1.65 0.01 1.15 -2.23 0.00 0.00 178.31 178.89 3fg6 h THR 704 N -0.37 0.85 0.00 4.41 2.02 -1.12 -2.98 112.91 115.72 3fg6 h THR 704 Ca -0.38 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3fg6 h THR 704 Cb 1.73 0.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3fg6 h THR 704 CO -0.02 0.00 -0.05 1.23 0.37 0.00 0.00 175.52 177.04 3fg6 h GLY 705 N 0.00 0.00 1.12 2.16 0.00 -1.47 -2.27 103.07 102.61 3fg6 h GLY 705 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 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 -3.98 0.00 -4.47 5.60 7.02 -1.13 -4.66 117.44 115.82 3fg6 n TRP 706 Ca -0.03 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.12 3fg6 n TRP 706 Cb 0.14 -0.06 -0.13 0.00 -2.42 0.00 0.00 31.31 28.84 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 -2.12 2.98 -0.89 -5.99 0.40 -0.86 -4.98 117.98 106.52 3fg6 s PHE 707 Ca 0.38 -0.37 -0.25 0.00 -0.60 0.00 0.00 56.93 56.09 3fg6 s PHE 707 Cb 0.19 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.81 3fg6 s PHE 707 CO 0.33 -0.07 1.47 -1.17 0.70 0.00 0.00 175.22 176.48 3fg6 s LEU 708 N 0.37 3.34 0.00 -0.37 2.96 -1.26 -4.51 118.68 119.20 3fg6 s LEU 708 Ca -0.05 -0.92 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 3fg6 s LEU 708 Cb -0.15 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 43.98 3fg6 s LEU 708 CO 0.03 -1.80 0.00 0.61 -1.32 0.00 0.00 176.35 173.87 3fg6 n GLY 709 N 6.29 -1.46 3.26 7.98 0.00 -1.26 -4.94 105.19 115.07 3fg6 n GLY 709 Ca 0.23 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3fg6 n GLY 709 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fg6 s TRP 710 N 0.00 2.80 -0.69 1.61 -0.11 -1.26 -4.72 118.94 116.57 3fg6 s TRP 710 Ca 0.00 -1.06 -0.19 0.00 1.22 0.00 0.00 56.10 56.08 3fg6 s TRP 710 Cb 0.00 -1.91 0.12 0.00 -1.50 0.00 0.00 33.47 30.18 3fg6 s TRP 710 CO 0.00 -0.49 0.82 0.34 -4.62 0.00 0.00 176.95 173.00 3fg6 s ASP 711 N 0.89 6.34 0.62 5.86 -1.08 -1.26 -4.63 116.67 123.41 3fg6 s ASP 711 Ca -0.04 -1.67 0.38 0.00 -0.52 0.00 0.00 52.55 50.70 3fg6 s ASP 711 Cb -0.15 -2.32 2.05 0.00 -1.46 0.00 0.00 42.92 41.04 3fg6 s ASP 711 CO -0.01 -1.07 2.27 -1.28 0.52 0.00 0.00 175.17 175.59 3fg6 h SER 712 N 8.98 0.00 -0.49 -0.34 0.87 -2.02 -0.81 113.55 119.74 3fg6 h SER 712 Ca -0.16 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.14 3fg6 h SER 712 Cb 1.07 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 62.87 3fg6 h SER 712 CO 1.07 0.02 0.02 -0.24 -0.53 0.00 0.00 176.83 177.17 3fg6 n SER 713 N -3.33 2.91 0.02 6.23 2.88 -1.26 -4.57 113.62 116.50 3fg6 n SER 713 Ca -0.02 -3.77 -0.13 0.00 -1.33 0.00 0.00 58.87 53.61 3fg6 n SER 713 Cb 0.12 -0.67 -0.09 0.00 -0.75 0.00 0.00 64.21 62.82 3fg6 n SER 713 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3fg6 h LYS 714 N 1.08 -0.06 -0.01 -1.46 1.63 -1.56 -3.55 116.57 112.65 3fg6 h LYS 714 Ca 0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 3fg6 h LYS 714 Cb 1.81 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 33.45 3fg6 h LYS 714 CO 0.55 0.34 0.00 0.91 -3.45 0.00 0.00 179.45 177.80