#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg4 s ALA 374 N 0.00 3.74 -0.24 1.57 0.00 0.15 -4.67 121.76 122.30 3fg4 s ALA 374 Ca 0.00 -1.87 -0.00 0.00 0.00 0.00 0.00 51.96 50.09 3fg4 s ALA 374 Cb 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.33 3fg4 s ALA 374 CO 0.00 -0.08 -0.09 0.42 0.00 0.00 0.00 175.76 176.00 3fg4 s ILE 375 N -2.45 2.60 -0.33 0.00 1.01 -1.26 -2.43 121.20 118.34 3fg4 s ILE 375 Ca 0.42 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3fg4 s ILE 375 Cb -0.02 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 3fg4 s ILE 375 CO 0.25 0.20 0.28 -0.31 0.00 0.00 0.00 174.94 175.36 3fg4 s TYR 376 N 1.27 3.22 -0.59 3.97 1.51 0.89 -2.20 117.35 125.42 3fg4 s TYR 376 Ca -0.01 -0.09 -0.28 0.00 -1.01 0.00 0.00 57.07 55.68 3fg4 s TYR 376 Cb -0.17 -2.53 0.03 0.00 -0.11 0.00 0.00 41.96 39.18 3fg4 s TYR 376 CO -0.06 -0.35 1.23 -0.80 -1.11 0.00 0.00 175.55 174.46 3fg4 s ASN 377 N 1.73 6.38 -0.28 2.29 0.01 0.05 -1.84 114.94 123.29 3fg4 s ASN 377 Ca 0.08 0.08 -0.11 0.00 -0.71 0.00 0.00 52.86 52.20 3fg4 s ASN 377 Cb -0.17 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.89 3fg4 s ASN 377 CO 0.11 -1.55 0.21 -0.69 -1.51 0.00 0.00 177.10 173.68 3fg4 s VAL 378 N 5.17 5.30 -0.21 1.60 1.01 -0.52 -1.26 120.40 131.49 3fg4 s VAL 378 Ca 0.43 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.62 3fg4 s VAL 378 Cb -0.08 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3fg4 s VAL 378 CO 0.24 0.25 -0.09 -0.70 0.00 0.00 0.00 175.10 174.79 3fg4 s GLU 379 N 1.75 3.20 -0.15 2.72 2.12 0.80 -0.63 118.70 128.51 3fg4 s GLU 379 Ca 0.08 -0.72 -0.05 0.00 0.36 0.00 0.00 54.97 54.64 3fg4 s GLU 379 Cb -0.16 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 3fg4 s GLU 379 CO 0.10 -0.22 0.01 0.08 -0.54 0.00 0.00 175.26 174.69 3fg4 s VAL 380 N 1.40 4.35 -0.27 3.70 1.01 -0.03 -0.59 120.40 129.97 3fg4 s VAL 380 Ca 0.05 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 3fg4 s VAL 380 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.32 3fg4 s VAL 380 CO -0.07 0.51 0.10 -1.61 0.00 0.00 0.00 175.10 174.03 3fg4 s GLU 381 N 0.02 3.48 -0.13 2.72 2.02 -0.11 -0.68 118.70 126.02 3fg4 s GLU 381 Ca 0.03 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.30 3fg4 s GLU 381 Cb -0.13 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 3fg4 s GLU 381 CO 0.02 -0.29 0.26 0.99 0.02 0.00 0.00 175.26 176.26 3fg4 s THR 382 N 1.60 5.31 0.93 3.63 2.01 -0.45 -0.21 115.64 128.46 3fg4 s THR 382 Ca 0.05 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 3fg4 s THR 382 Cb -0.16 -3.58 0.15 0.00 0.01 0.00 0.00 72.50 68.92 3fg4 s THR 382 CO 0.04 0.47 1.10 -0.83 -0.69 0.00 0.00 174.62 174.72 3fg4 s GLY 383 N -0.11 1.64 0.25 4.40 0.00 -0.20 -2.05 107.32 111.24 3fg4 s GLY 383 Ca 0.16 0.24 0.24 0.00 0.00 0.00 0.00 44.72 45.37 3fg4 s GLY 383 CO 0.05 0.72 1.54 -0.55 0.00 0.00 0.00 173.10 174.86 3fg4 h ASP 384 N -1.80 0.00 -4.13 1.64 3.32 -1.89 -0.76 116.42 112.80 3fg4 h ASP 384 Ca -0.48 -0.05 -0.54 0.00 0.02 0.00 0.00 57.03 55.97 3fg4 h ASP 384 Cb 1.28 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.97 3fg4 h ASP 384 CO 0.48 0.03 0.46 0.00 -1.72 0.00 0.00 179.24 178.49 3fg4 s ARG 385 N -3.17 2.52 0.18 3.56 1.70 -1.26 -4.64 118.95 117.84 3fg4 s ARG 385 Ca 0.07 1.91 -0.32 0.00 -0.47 0.00 0.00 55.73 56.93 3fg4 s ARG 385 Cb 0.10 -1.86 -0.16 0.00 -0.57 0.00 0.00 34.95 32.46 3fg4 s ARG 385 CO 0.67 -1.58 0.98 -1.91 -1.08 0.00 0.00 175.30 172.38 3fg4 n GLU 386 N -2.10 0.83 -0.96 3.89 2.13 -1.26 -1.20 120.64 121.96 3fg4 n GLU 386 Ca 0.15 0.29 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3fg4 n GLU 386 Cb 0.49 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.54 3fg4 n GLU 386 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3fg4 n HIS 387 N 0.91 0.00 0.06 4.31 8.25 -1.26 -4.71 115.22 122.77 3fg4 n HIS 387 Ca 0.15 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.78 3fg4 n HIS 387 Cb 0.24 -1.00 0.67 0.00 1.12 0.00 0.00 29.99 31.02 3fg4 n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fg4 h ALA 388 N 0.00 2.37 -2.38 -1.41 0.00 -1.44 -3.43 119.26 112.97 3fg4 h ALA 388 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 3fg4 h ALA 388 Cb 0.45 0.02 0.14 0.00 0.00 0.00 0.00 17.79 18.40 3fg4 h ALA 388 CO 0.00 -0.48 0.27 0.20 0.00 0.00 0.00 179.25 179.24 3fg4 s GLY 389 N -4.02 1.61 0.04 0.00 0.00 -1.26 -0.90 107.32 102.79 3fg4 s GLY 389 Ca -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 44.72 44.45 3fg4 s GLY 389 CO 0.72 0.30 0.02 -1.08 0.00 0.00 0.00 173.10 173.06 3fg4 s THR 390 N -3.04 0.15 -0.26 0.90 -1.32 -1.00 -4.48 115.64 106.59 3fg4 s THR 390 Ca 0.63 -1.28 0.08 0.00 -1.21 0.00 0.00 61.69 59.91 3fg4 s THR 390 Cb -0.17 -0.93 0.18 0.00 -1.51 0.00 0.00 72.50 70.07 3fg4 s THR 390 CO 0.56 -0.70 1.13 -0.90 -2.21 0.00 0.00 174.62 172.50 3fg4 n ASP 391 N 0.76 2.48 -4.66 8.08 5.68 -1.26 -3.68 116.55 123.96 3fg4 n ASP 391 Ca -0.19 -2.31 -0.32 0.00 -0.50 0.00 0.00 54.79 51.47 3fg4 n ASP 391 Cb 0.58 -0.19 0.15 0.00 -1.14 0.00 0.00 41.12 40.52 3fg4 n ASP 391 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fg4 n ALA 392 N -0.44 -0.56 -2.64 2.12 0.00 -1.26 -4.82 120.51 112.91 3fg4 n ALA 392 Ca 0.08 -0.45 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3fg4 n ALA 392 Cb 0.43 -2.19 -0.02 0.00 0.00 0.00 0.00 19.45 17.67 3fg4 n ALA 392 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fg4 s THR 393 N -2.38 4.67 -0.15 0.00 2.01 -1.26 -4.92 115.64 113.61 3fg4 s THR 393 Ca 0.69 1.98 -0.06 0.00 0.31 0.00 0.00 61.69 64.62 3fg4 s THR 393 Cb -0.26 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 3fg4 s THR 393 CO 0.55 -0.11 0.04 -0.63 -0.69 0.00 0.00 174.62 173.78 3fg4 s ILE 394 N 2.79 4.56 0.24 1.82 -1.09 -1.26 -2.03 121.20 126.25 3fg4 s ILE 394 Ca 0.47 -0.12 0.11 0.00 -2.23 0.00 0.00 60.65 58.87 3fg4 s ILE 394 Cb -0.17 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 3fg4 s ILE 394 CO 0.11 0.51 -0.20 0.42 -1.23 0.00 0.00 174.94 174.55 3fg4 s THR 395 N 0.01 2.31 -0.04 2.92 -4.23 -0.12 -0.97 115.64 115.51 3fg4 s THR 395 Ca 0.04 -2.26 0.02 0.00 -1.18 0.00 0.00 61.69 58.31 3fg4 s THR 395 Cb -0.12 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.53 3fg4 s THR 395 CO 0.01 -0.36 -0.11 -0.51 -0.54 0.00 0.00 174.62 173.12 3fg4 s ILE 396 N -2.35 0.97 -0.16 2.99 2.07 0.17 -0.45 121.20 124.45 3fg4 s ILE 396 Ca 0.26 -0.42 -0.03 0.00 -1.41 0.00 0.00 60.65 59.05 3fg4 s ILE 396 Cb -0.05 -0.88 -0.02 0.00 0.13 0.00 0.00 42.46 41.64 3fg4 s ILE 396 CO 0.12 0.31 -0.06 -0.60 -1.91 0.00 0.00 174.94 172.80 3fg4 s ARG 397 N 0.43 3.56 -0.16 3.50 3.52 0.13 0.12 118.95 130.04 3fg4 s ARG 397 Ca -0.09 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.89 3fg4 s ARG 397 Cb -0.12 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.38 3fg4 s ARG 397 CO 0.02 0.17 -0.01 0.42 -0.81 0.00 0.00 175.30 175.09 3fg4 s ILE 398 N 0.53 4.14 -0.10 4.11 1.01 -1.26 -1.03 121.20 128.60 3fg4 s ILE 398 Ca -0.05 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3fg4 s ILE 398 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.50 3fg4 s ILE 398 CO 0.03 0.48 -0.17 -0.89 0.00 0.00 0.00 174.94 174.40 3fg4 s THR 399 N 0.39 1.56 0.00 2.92 2.01 -0.04 -0.86 115.64 121.62 3fg4 s THR 399 Ca -0.02 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.28 3fg4 s THR 399 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.97 3fg4 s THR 399 CO 0.02 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3fg4 n GLY 400 N 3.98 4.19 0.42 4.40 0.00 -0.87 0.40 105.19 117.71 3fg4 n GLY 400 Ca -0.20 -1.55 0.23 0.00 0.00 0.00 0.00 46.02 44.50 3fg4 n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 401 N 1.07 2.31 -0.06 4.61 0.00 0.16 -2.93 119.26 124.42 3fg4 h ALA 401 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg4 h ALA 401 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fg4 h ALA 401 CO 0.00 -0.68 0.00 1.63 0.00 0.00 0.00 179.25 180.20 3fg4 n LYS 402 N -4.56 2.06 -0.31 0.00 5.02 0.28 -4.99 118.16 115.66 3fg4 n LYS 402 Ca 0.24 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 3fg4 n LYS 402 Cb 0.87 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 34.45 3fg4 n LYS 402 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fg4 n GLY 403 N 1.24 0.86 3.09 0.72 0.00 -1.11 -4.93 105.19 105.06 3fg4 n GLY 403 Ca 0.13 -1.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3fg4 n GLY 403 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fg4 s ARG 404 N -2.00 0.48 0.71 1.61 1.70 -1.26 -2.05 118.95 118.14 3fg4 s ARG 404 Ca 0.00 -0.52 -0.11 0.00 -0.47 0.00 0.00 55.73 54.63 3fg4 s ARG 404 Cb 0.00 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.59 3fg4 s ARG 404 CO 0.00 -0.11 1.06 0.95 -1.08 0.00 0.00 175.30 176.12 3fg4 s THR 405 N -1.69 3.90 1.05 4.99 -4.23 -0.04 -4.85 115.64 114.78 3fg4 s THR 405 Ca -0.13 0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 60.88 3fg4 s THR 405 Cb -0.07 -3.39 0.20 0.00 1.34 0.00 0.00 72.50 70.58 3fg4 s THR 405 CO -0.00 -0.81 0.94 -0.67 -0.54 0.00 0.00 174.62 173.53 3fg4 n ASP 406 N -3.14 -0.99 -4.63 3.99 -0.08 -1.26 -4.52 116.55 105.91 3fg4 n ASP 406 Ca 0.07 0.11 -0.43 0.00 -1.51 0.00 0.00 54.79 53.04 3fg4 n ASP 406 Cb 0.54 -1.32 -0.03 0.00 2.34 0.00 0.00 41.12 42.65 3fg4 n ASP 406 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 3fg4 s TYR 407 N -2.48 1.40 -0.03 -0.67 1.51 -1.26 -4.49 117.35 111.33 3fg4 s TYR 407 Ca 0.66 0.12 -0.06 0.00 -1.01 0.00 0.00 57.07 56.77 3fg4 s TYR 407 Cb -0.23 -4.07 -0.04 0.00 -0.11 0.00 0.00 41.96 37.50 3fg4 s TYR 407 CO 0.63 -4.49 0.23 -0.51 -1.11 0.00 0.00 175.55 170.29 3fg4 s LEU 408 N 6.08 4.38 -0.01 -1.29 1.43 0.12 -4.81 118.68 124.57 3fg4 s LEU 408 Ca 0.90 0.52 -0.27 0.00 -1.03 0.00 0.00 54.13 54.25 3fg4 s LEU 408 Cb -0.35 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 3fg4 s LEU 408 CO 0.37 0.30 0.87 -0.54 0.23 0.00 0.00 176.35 177.58 3fg4 s LYS 409 N -1.56 4.52 -0.96 1.70 -0.14 -1.26 0.42 119.74 122.47 3fg4 s LYS 409 Ca 0.24 1.22 -0.03 0.00 -1.36 0.00 0.00 55.97 56.04 3fg4 s LYS 409 Cb -0.13 -3.45 0.26 0.00 -1.68 0.00 0.00 37.83 32.84 3fg4 s LYS 409 CO 0.13 0.02 1.04 1.28 -0.76 0.00 0.00 175.35 177.07 3fg4 n LEU 410 N 3.74 5.03 -3.85 3.17 4.77 -0.15 -4.94 117.00 124.78 3fg4 n LEU 410 Ca 0.03 -5.19 -0.30 0.00 -0.03 0.00 0.00 56.01 50.52 3fg4 n LEU 410 Cb 0.51 -1.16 -0.14 0.00 -2.33 0.00 0.00 43.42 40.30 3fg4 n LEU 410 CO 0.50 1.63 -0.29 -1.81 -1.33 0.00 0.00 177.39 176.09 3fg4 s ASP 411 N -0.67 4.24 0.00 -1.43 1.01 -1.26 -4.47 116.67 114.09 3fg4 s ASP 411 Ca 0.31 -2.18 0.00 0.00 0.71 0.00 0.00 52.55 51.39 3fg4 s ASP 411 Cb -0.01 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.66 3fg4 s ASP 411 CO -0.04 -0.35 0.00 0.29 0.21 0.00 0.00 175.17 175.28 3fg4 n LYS 412 N 4.17 0.00 0.00 8.23 4.76 -1.26 -5.17 118.16 128.89 3fg4 n LYS 412 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3fg4 n LYS 412 Cb 0.39 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 3fg4 n LYS 412 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fg4 n GLY 413 N 0.00 0.57 3.99 0.72 0.00 -1.26 -5.00 105.19 104.21 3fg4 n GLY 413 Ca 0.00 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.68 3fg4 n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 414 N 0.00 4.79 -0.45 1.61 1.04 -1.26 -5.07 113.70 114.35 3fg4 s SER 414 Ca 0.00 -0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.19 3fg4 s SER 414 Cb 0.00 -0.32 0.12 0.00 0.10 0.00 0.00 66.02 65.92 3fg4 s SER 414 CO 0.00 -1.53 0.18 -0.36 0.98 0.00 0.00 173.24 172.52 3fg4 s PHE 418 N -2.94 3.41 0.57 5.02 2.99 -1.24 -4.99 117.98 120.79 3fg4 s PHE 418 Ca 0.62 -3.10 -0.06 0.00 0.00 0.00 0.00 56.93 54.39 3fg4 s PHE 418 Cb -0.07 -2.87 -0.00 0.00 0.00 0.00 0.00 43.02 40.07 3fg4 s PHE 418 CO 0.41 -0.82 0.88 -1.21 -0.00 0.00 0.00 175.22 174.48 3fg4 s GLU 419 N 0.17 3.09 0.18 0.44 0.41 -1.26 -2.38 118.70 119.35 3fg4 s GLU 419 Ca 0.15 0.08 -0.33 0.00 -0.41 0.00 0.00 54.97 54.46 3fg4 s GLU 419 Cb -0.23 -2.29 -0.13 0.00 -1.78 0.00 0.00 34.13 29.70 3fg4 s GLU 419 CO -0.03 -0.58 1.67 0.00 -0.49 0.00 0.00 175.26 175.83 3fg4 n ALA 420 N -2.52 2.16 -0.89 5.21 0.00 -1.26 -1.71 120.51 121.51 3fg4 n ALA 420 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3fg4 n ALA 420 Cb 0.57 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.56 3fg4 n ALA 420 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg4 n GLY 421 N 3.75 0.79 3.87 0.00 0.00 -0.29 -4.80 105.19 108.51 3fg4 n GLY 421 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3fg4 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fg4 s SER 422 N -2.60 6.53 -0.28 1.61 1.04 -0.69 -4.81 113.70 114.50 3fg4 s SER 422 Ca 0.00 1.25 0.02 0.00 0.48 0.00 0.00 55.95 57.70 3fg4 s SER 422 Cb 0.00 -2.37 0.07 0.00 0.10 0.00 0.00 66.02 63.82 3fg4 s SER 422 CO 0.00 -0.47 -0.02 -0.54 0.98 0.00 0.00 173.24 173.19 3fg4 s LYS 423 N -3.97 1.64 -0.04 4.02 3.01 -1.26 -1.34 119.74 121.81 3fg4 s LYS 423 Ca 0.53 -1.31 0.04 0.00 -1.01 0.00 0.00 55.97 54.22 3fg4 s LYS 423 Cb -0.10 -2.75 -0.03 0.00 -1.01 0.00 0.00 37.83 33.94 3fg4 s LYS 423 CO 0.32 -0.72 -0.15 -1.21 0.51 0.00 0.00 175.35 174.11 3fg4 s GLU 424 N 1.22 2.45 -0.04 1.68 0.41 0.15 -4.95 118.70 119.62 3fg4 s GLU 424 Ca -0.01 -0.73 0.04 0.00 -0.41 0.00 0.00 54.97 53.86 3fg4 s GLU 424 Cb -0.19 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.78 3fg4 s GLU 424 CO -0.08 0.61 -0.15 -0.65 -0.49 0.00 0.00 175.26 174.49 3fg4 s GLN 425 N -0.84 2.44 0.05 1.61 -0.21 -1.26 -0.85 119.66 120.59 3fg4 s GLN 425 Ca 0.12 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 54.79 3fg4 s GLN 425 Cb -0.11 -2.33 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 3fg4 s GLN 425 CO 0.01 0.61 -0.08 0.71 -2.12 0.00 0.00 175.29 174.43 3fg4 s TYR 426 N -0.74 0.70 -0.17 0.91 1.51 0.20 -5.02 117.35 114.74 3fg4 s TYR 426 Ca 0.12 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3fg4 s TYR 426 Cb -0.11 -0.42 0.04 0.00 -0.11 0.00 0.00 41.96 41.36 3fg4 s TYR 426 CO 0.01 -0.09 -0.09 0.99 -1.11 0.00 0.00 175.55 175.27 3fg4 s THR 427 N -1.58 1.37 0.17 -0.71 2.01 -1.26 -1.44 115.64 114.20 3fg4 s THR 427 Ca -0.08 -0.74 0.09 0.00 0.31 0.00 0.00 61.69 61.27 3fg4 s THR 427 Cb -0.09 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3fg4 s THR 427 CO -0.00 0.21 -0.19 0.68 -0.69 0.00 0.00 174.62 174.63 3fg4 s VAL 428 N 1.53 1.87 -0.03 3.82 -7.23 -0.77 -4.98 120.40 114.61 3fg4 s VAL 428 Ca 0.01 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.31 3fg4 s VAL 428 Cb -0.15 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 3fg4 s VAL 428 CO -0.08 -0.31 -0.24 0.00 -0.31 0.00 0.00 175.10 174.16 3fg4 s GLN 429 N -2.82 2.12 0.00 4.82 0.00 -1.26 -0.08 119.66 122.44 3fg4 s GLN 429 Ca 0.16 -0.85 0.00 0.00 -0.00 0.00 0.00 55.36 54.68 3fg4 s GLN 429 Cb -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 33.01 31.02 3fg4 s GLN 429 CO 0.07 0.45 0.00 0.41 0.00 0.00 0.00 175.29 176.22 3fg4 n GLY 430 N 2.70 2.06 3.57 2.60 0.00 -1.02 -5.00 105.19 110.10 3fg4 n GLY 430 Ca -0.16 -0.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.45 3fg4 n GLY 430 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3fg4 n PHE 431 N 0.00 1.25 -2.14 1.61 -0.00 -1.26 0.30 117.46 117.22 3fg4 n PHE 431 Ca 0.00 0.69 -0.43 0.00 -0.00 0.00 0.00 57.45 57.72 3fg4 n PHE 431 Cb 0.00 -2.27 -0.02 0.00 -0.00 0.00 0.00 39.48 37.19 3fg4 n PHE 431 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3fg4 s ASP 432 N -0.07 6.04 0.00 -2.13 2.15 -1.26 -4.39 116.67 117.01 3fg4 s ASP 432 Ca 0.72 1.05 0.15 0.00 0.43 0.00 0.00 52.55 54.90 3fg4 s ASP 432 Cb -0.85 -2.53 0.62 0.00 -0.30 0.00 0.00 42.92 39.86 3fg4 s ASP 432 CO 0.53 -1.63 1.43 1.33 -0.17 0.00 0.00 175.17 176.66 3fg4 n VAL 433 N 7.27 0.19 -2.25 1.11 0.24 -1.26 -4.75 118.33 118.88 3fg4 n VAL 433 Ca 0.20 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3fg4 n VAL 433 Cb 0.47 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 3fg4 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3fg4 n GLY 434 N 0.93 2.48 3.67 7.63 0.00 -1.26 -0.56 105.19 118.08 3fg4 n GLY 434 Ca 0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 3fg4 n GLY 434 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fg4 s ASP 435 N -4.00 6.76 0.11 1.61 2.15 -1.26 -4.74 116.67 117.30 3fg4 s ASP 435 Ca 0.00 2.15 -0.30 0.00 0.43 0.00 0.00 52.55 54.83 3fg4 s ASP 435 Cb 0.00 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 3fg4 s ASP 435 CO 0.00 -0.83 1.14 -0.63 -0.17 0.00 0.00 175.17 174.68 3fg4 s ILE 436 N 3.28 3.99 -0.06 4.11 1.01 -1.26 0.15 121.20 132.42 3fg4 s ILE 436 Ca 0.68 1.55 0.02 0.00 0.00 0.00 0.00 60.65 62.90 3fg4 s ILE 436 Cb -0.32 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3fg4 s ILE 436 CO 0.27 0.19 -0.03 0.00 0.00 0.00 0.00 174.94 175.36 3fg4 n GLN 437 N 3.18 1.09 -3.70 2.79 6.02 0.16 -4.91 117.38 122.02 3fg4 n GLN 437 Ca 0.06 0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 3fg4 n GLN 437 Cb 0.46 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.55 3fg4 n GLN 437 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 3fg4 s LEU 438 N -5.07 0.45 0.20 1.08 0.05 -0.48 -4.23 118.68 110.67 3fg4 s LEU 438 Ca -0.07 -0.42 0.09 0.00 0.05 0.00 0.00 54.13 53.78 3fg4 s LEU 438 Cb 0.02 1.79 -0.04 0.00 -2.05 0.00 0.00 46.19 45.91 3fg4 s LEU 438 CO 0.17 -0.89 -0.17 0.27 -0.55 0.00 0.00 176.35 175.18 3fg4 s ILE 439 N -3.84 1.88 -0.13 1.48 -4.36 -0.64 -0.86 121.20 114.73 3fg4 s ILE 439 Ca 0.06 -2.10 0.01 0.00 -0.26 0.00 0.00 60.65 58.35 3fg4 s ILE 439 Cb 0.02 -1.99 0.02 0.00 1.25 0.00 0.00 42.46 41.76 3fg4 s ILE 439 CO -0.09 -0.44 -0.13 -1.61 0.24 0.00 0.00 174.94 172.91 3fg4 s GLU 440 N -3.23 2.15 -0.02 0.37 2.02 -0.19 -0.46 118.70 119.34 3fg4 s GLU 440 Ca 0.20 -0.51 -0.16 0.00 0.02 0.00 0.00 54.97 54.53 3fg4 s GLU 440 Cb -0.04 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.17 3fg4 s GLU 440 CO 0.08 -0.20 0.44 -0.51 0.02 0.00 0.00 175.26 175.09 3fg4 s LEU 441 N 1.41 4.43 -0.04 1.80 1.43 0.06 0.19 118.68 127.96 3fg4 s LEU 441 Ca 0.02 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 3fg4 s LEU 441 Cb -0.13 -2.65 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 3fg4 s LEU 441 CO -0.08 0.23 -0.17 -2.28 0.23 0.00 0.00 176.35 174.29 3fg4 s HIS 442 N -0.63 1.67 -0.09 0.29 2.46 0.41 -1.07 115.29 118.33 3fg4 s HIS 442 Ca 0.25 -0.49 0.03 0.00 0.47 0.00 0.00 55.06 55.32 3fg4 s HIS 442 Cb -0.17 -1.13 -0.02 0.00 -0.13 0.00 0.00 32.58 31.14 3fg4 s HIS 442 CO 0.13 -0.17 -0.17 0.45 -2.47 0.00 0.00 174.74 172.51 3fg4 s SER 443 N 0.08 3.69 0.00 9.88 0.15 0.13 -0.94 113.70 126.69 3fg4 s SER 443 Ca -0.05 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 56.51 3fg4 s SER 443 Cb -0.12 -1.19 1.50 0.00 -1.71 0.00 0.00 66.02 64.50 3fg4 s SER 443 CO 0.02 0.23 1.95 -0.90 1.20 0.00 0.00 173.24 175.74 3fg4 n ASP 444 N 3.06 0.00 0.00 5.45 5.75 -0.86 -4.62 116.55 125.32 3fg4 n ASP 444 Ca -0.18 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.09 3fg4 n ASP 444 Cb 0.52 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3fg4 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fg4 n GLY 445 N 0.82 0.79 0.00 6.12 0.00 -1.26 -4.86 105.19 106.80 3fg4 n GLY 445 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3fg4 n GLY 445 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 446 N -2.17 0.44 0.00 -0.02 0.00 -1.26 -4.66 105.19 97.53 3fg4 n GLY 446 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3fg4 n GLY 446 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 447 N 0.52 0.30 0.31 -0.02 0.00 -1.26 -4.91 105.19 100.14 3fg4 n GLY 447 Ca 0.00 -1.76 -0.00 0.00 0.00 0.00 0.00 46.02 44.26 3fg4 n GLY 447 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fg4 h TYR 448 N 0.00 0.74 -0.00 1.61 5.03 -2.02 -3.17 116.97 119.17 3fg4 h TYR 448 Ca 0.00 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.28 3fg4 h TYR 448 Cb 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 38.05 3fg4 h TYR 448 CO 0.00 0.57 -0.56 0.91 -1.32 0.00 0.00 178.16 177.76 3fg4 n TRP 449 N -4.35 0.00 -1.70 -3.82 7.02 -1.26 -4.93 117.44 108.39 3fg4 n TRP 449 Ca 0.04 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.10 3fg4 n TRP 449 Cb 0.15 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 28.86 3fg4 n TRP 449 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3fg4 s SER 450 N -2.86 5.81 -0.01 -0.99 0.01 -1.20 -4.91 113.70 109.55 3fg4 s SER 450 Ca 0.14 2.01 -0.23 0.00 1.31 0.00 0.00 55.95 59.18 3fg4 s SER 450 Cb 0.18 -2.52 -0.21 0.00 0.21 0.00 0.00 66.02 63.68 3fg4 s SER 450 CO 0.69 -1.66 1.14 1.23 0.41 0.00 0.00 173.24 175.05 3fg4 h GLY 451 N 13.60 0.28 -6.29 3.44 0.00 -1.92 -3.42 103.07 108.76 3fg4 h GLY 451 Ca -0.42 -0.40 -0.58 0.00 0.00 0.00 0.00 47.33 45.92 3fg4 h GLY 451 CO 0.96 0.36 -0.99 1.34 0.00 0.00 0.00 176.54 178.21 3fg4 n ASP 452 N -4.50 -0.07 0.30 0.19 2.03 -1.26 -5.01 116.55 108.23 3fg4 n ASP 452 Ca -0.09 -2.52 0.15 0.00 0.52 0.00 0.00 54.79 52.86 3fg4 n ASP 452 Cb 0.47 -0.59 0.92 0.00 -0.72 0.00 0.00 41.12 41.20 3fg4 n ASP 452 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3fg4 h PRO 453 N 5.13 0.00 -6.56 -0.67 0.13 -1.83 -3.42 132.00 124.78 3fg4 h PRO 453 Ca 0.21 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.75 3fg4 h PRO 453 Cb 0.89 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.10 3fg4 h PRO 453 CO 0.42 0.01 0.66 -0.25 -0.23 0.00 0.00 178.00 178.61 3fg4 n ASP 454 N -3.77 2.82 -3.92 1.44 10.43 -1.26 -4.65 116.55 117.64 3fg4 n ASP 454 Ca -0.03 1.13 -0.29 0.00 2.57 0.00 0.00 54.79 58.17 3fg4 n ASP 454 Cb 0.10 -1.42 -0.16 0.00 1.84 0.00 0.00 41.12 41.47 3fg4 n ASP 454 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fg4 s TRP 455 N 0.20 2.01 -0.42 1.24 -0.00 -0.74 -4.54 118.94 116.68 3fg4 s TRP 455 Ca 0.71 -1.35 -0.19 0.00 -0.00 0.00 0.00 56.10 55.27 3fg4 s TRP 455 Cb -0.66 -1.45 0.02 0.00 -0.00 0.00 0.00 33.47 31.38 3fg4 s TRP 455 CO 0.47 -0.68 0.56 0.12 -0.00 0.00 0.00 176.95 177.42 3fg4 s PHE 456 N 1.53 3.11 -0.24 5.86 5.36 -0.08 -0.15 117.98 133.37 3fg4 s PHE 456 Ca -0.01 -0.13 -0.11 0.00 -0.96 0.00 0.00 56.93 55.72 3fg4 s PHE 456 Cb -0.16 -3.16 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 3fg4 s PHE 456 CO -0.08 -0.78 0.17 0.08 -1.46 0.00 0.00 175.22 173.15 3fg4 s VAL 457 N 2.56 5.35 -0.02 3.12 1.01 -1.06 -1.04 120.40 130.32 3fg4 s VAL 457 Ca 0.19 0.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.11 3fg4 s VAL 457 Cb -0.15 -3.51 -0.19 0.00 0.00 0.00 0.00 36.38 32.53 3fg4 s VAL 457 CO 0.17 0.34 1.22 0.78 0.00 0.00 0.00 175.10 177.61 3fg4 h ASN 458 N 7.57 -0.09 -3.63 3.32 -0.26 -0.88 -0.93 115.58 120.69 3fg4 h ASN 458 Ca -0.38 -0.40 0.05 0.00 -0.56 0.00 0.00 56.30 55.01 3fg4 h ASN 458 Cb 1.17 0.02 -0.24 0.00 -1.06 0.00 0.00 38.32 38.21 3fg4 h ASN 458 CO 0.65 0.37 0.43 -0.60 -1.06 0.00 0.00 177.43 177.23 3fg4 s ARG 459 N -4.27 0.59 -0.09 0.81 3.52 -1.11 -0.47 118.95 117.92 3fg4 s ARG 459 Ca -0.15 0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 3fg4 s ARG 459 Cb 0.02 0.29 -0.01 0.00 -1.56 0.00 0.00 34.95 33.68 3fg4 s ARG 459 CO 0.62 -0.11 -0.18 0.08 -0.81 0.00 0.00 175.30 174.90 3fg4 s VAL 460 N -0.21 2.66 -0.15 7.11 1.01 -0.74 -0.94 120.40 129.15 3fg4 s VAL 460 Ca 0.01 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3fg4 s VAL 460 Cb -0.03 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.29 3fg4 s VAL 460 CO -0.02 0.55 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 3fg4 s ILE 461 N 0.04 2.51 0.02 2.22 1.01 0.24 -0.63 121.20 126.61 3fg4 s ILE 461 Ca -0.07 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 59.82 3fg4 s ILE 461 Cb -0.15 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 3fg4 s ILE 461 CO 0.05 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.67 3fg4 s ILE 462 N 0.75 1.69 -0.05 2.92 1.01 0.34 -0.14 121.20 127.72 3fg4 s ILE 462 Ca -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.53 3fg4 s ILE 462 Cb -0.16 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.88 3fg4 s ILE 462 CO 0.01 0.33 -0.13 -0.63 0.00 0.00 0.00 174.94 174.52 3fg4 s ILE 463 N -0.66 1.16 -0.05 2.92 1.01 -0.39 -1.14 121.20 124.05 3fg4 s ILE 463 Ca 0.08 -0.52 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 3fg4 s ILE 463 Cb -0.09 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3fg4 s ILE 463 CO 0.01 0.35 0.18 -0.55 0.00 0.00 0.00 174.94 174.92 3fg4 s SER 464 N 0.43 6.39 0.19 3.58 0.15 -1.26 -0.77 113.70 122.42 3fg4 s SER 464 Ca -0.10 0.41 -0.09 0.00 0.70 0.00 0.00 55.95 56.88 3fg4 s SER 464 Cb -0.14 -2.04 0.09 0.00 -1.71 0.00 0.00 66.02 62.23 3fg4 s SER 464 CO 0.03 0.32 1.67 0.77 1.20 0.00 0.00 173.24 177.22 3fg4 h SER 465 N 4.27 1.06 0.42 5.45 4.64 -1.81 -2.95 113.55 124.62 3fg4 h SER 465 Ca -0.51 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 3fg4 h SER 465 Cb 1.20 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3fg4 h SER 465 CO 0.65 1.08 -0.03 0.35 -0.87 0.00 0.00 176.83 178.01 3fg4 n THR 466 N -4.19 0.00 -4.33 2.95 -2.24 -1.26 -4.86 114.28 100.35 3fg4 n THR 466 Ca 0.04 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.59 3fg4 n THR 466 Cb 0.33 -0.37 -0.11 0.00 -2.10 0.00 0.00 70.33 68.08 3fg4 n THR 466 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3fg4 s GLN 467 N -2.45 1.27 -0.38 -0.78 -1.52 -1.12 -5.03 119.66 109.65 3fg4 s GLN 467 Ca 0.32 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.34 3fg4 s GLN 467 Cb 0.20 -1.23 0.48 0.00 -0.22 0.00 0.00 33.01 32.24 3fg4 s GLN 467 CO 0.45 0.24 1.50 -3.47 -0.25 0.00 0.00 175.29 173.76 3fg4 n ASP 468 N 0.12 4.48 -4.26 5.90 -0.08 -1.26 -4.44 116.55 117.01 3fg4 n ASP 468 Ca -0.12 -3.78 -0.17 0.00 -1.51 0.00 0.00 54.79 49.21 3fg4 n ASP 468 Cb 0.58 -0.61 -0.11 0.00 2.34 0.00 0.00 41.12 43.32 3fg4 n ASP 468 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3fg4 s ARG 469 N -3.50 1.07 -0.34 -0.67 1.81 -1.26 -5.12 118.95 110.94 3fg4 s ARG 469 Ca 0.52 -1.34 -0.11 0.00 -1.72 0.00 0.00 55.73 53.08 3fg4 s ARG 469 Cb 0.43 -0.85 -0.00 0.00 -0.45 0.00 0.00 34.95 34.09 3fg4 s ARG 469 CO 0.01 0.15 0.20 0.08 -0.68 0.00 0.00 175.30 175.05 3fg4 s VAL 470 N -2.57 4.82 -0.27 3.52 1.01 -1.26 -4.49 120.40 121.15 3fg4 s VAL 470 Ca 0.13 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 3fg4 s VAL 470 Cb -0.02 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3fg4 s VAL 470 CO 0.03 -0.04 0.46 -0.31 0.00 0.00 0.00 175.10 175.24 3fg4 s TYR 471 N 1.63 3.25 -0.16 5.22 1.51 -0.29 -4.98 117.35 123.54 3fg4 s TYR 471 Ca 0.04 0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 56.60 3fg4 s TYR 471 Cb -0.18 -2.68 -0.01 0.00 -0.11 0.00 0.00 41.96 38.98 3fg4 s TYR 471 CO 0.08 -0.28 -0.10 0.45 -1.11 0.00 0.00 175.55 174.59 3fg4 s SER 472 N 1.60 4.17 -0.42 2.29 0.15 -1.26 -0.51 113.70 119.72 3fg4 s SER 472 Ca 0.19 -0.33 0.03 0.00 0.70 0.00 0.00 55.95 56.54 3fg4 s SER 472 Cb -0.16 -1.66 0.12 0.00 -1.71 0.00 0.00 66.02 62.61 3fg4 s SER 472 CO 0.10 0.11 0.16 -0.36 1.20 0.00 0.00 173.24 174.45 3fg4 s PHE 473 N 0.68 2.93 0.55 3.44 0.40 0.20 -0.82 117.98 125.37 3fg4 s PHE 473 Ca -0.05 -2.78 -0.19 0.00 -0.60 0.00 0.00 56.93 53.32 3fg4 s PHE 473 Cb -0.15 -2.52 -0.05 0.00 0.51 0.00 0.00 43.02 40.80 3fg4 s PHE 473 CO 0.02 -0.84 1.10 -1.25 0.70 0.00 0.00 175.22 174.96 3fg4 s PRO 474 N 0.49 3.37 0.00 0.24 0.04 -1.26 -1.80 135.00 136.08 3fg4 s PRO 474 Ca 0.14 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.68 3fg4 s PRO 474 Cb -0.22 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.30 3fg4 s PRO 474 CO -0.06 -0.81 0.00 0.00 0.04 0.00 0.00 177.00 176.17 3fg4 n PHE 476 N -1.66 -2.27 -4.15 0.00 3.01 -0.36 -4.91 117.46 107.13 3fg4 n PHE 476 Ca 0.00 0.91 -0.11 0.00 1.01 0.00 0.00 57.45 59.26 3fg4 n PHE 476 Cb 0.00 -4.30 -0.09 0.00 -0.01 0.00 0.00 39.48 35.08 3fg4 n PHE 476 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3fg4 s ARG 477 N -6.34 1.16 0.11 -1.08 0.52 -1.21 -5.02 118.95 107.10 3fg4 s ARG 477 Ca 0.43 -1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 3fg4 s ARG 477 Cb -0.21 0.29 -0.06 0.00 0.52 0.00 0.00 34.95 35.49 3fg4 s ARG 477 CO 0.81 -0.38 1.09 -1.58 0.02 0.00 0.00 175.30 175.26 3fg4 s TRP 478 N -4.10 3.59 -0.27 -0.53 0.52 -1.26 -2.56 118.94 114.32 3fg4 s TRP 478 Ca 0.32 1.55 -0.11 0.00 0.02 0.00 0.00 56.10 57.88 3fg4 s TRP 478 Cb 0.06 -3.27 -0.05 0.00 -1.15 0.00 0.00 33.47 29.07 3fg4 s TRP 478 CO 0.08 -0.61 0.19 0.08 0.02 0.00 0.00 176.95 176.72 3fg4 s VAL 479 N 0.37 5.31 0.00 4.03 1.01 0.78 -4.95 120.40 126.95 3fg4 s VAL 479 Ca 0.52 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3fg4 s VAL 479 Cb -0.27 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.57 3fg4 s VAL 479 CO 0.31 0.27 0.00 -0.38 0.00 0.00 0.00 175.10 175.30 3fg4 n ILE 480 N 4.90 0.00 -0.06 2.22 2.08 -1.26 -1.80 119.36 125.44 3fg4 n ILE 480 Ca -0.14 0.21 -0.13 0.00 0.56 0.00 0.00 62.75 63.26 3fg4 n ILE 480 Cb 0.52 -1.20 -0.04 0.00 -0.75 0.00 0.00 39.64 38.17 3fg4 n ILE 480 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 3fg4 n LYS 481 N -1.94 0.27 -4.23 0.38 0.00 -1.26 -4.60 118.16 106.79 3fg4 n LYS 481 Ca 0.00 0.12 -0.17 0.00 -0.00 0.00 0.00 58.31 58.26 3fg4 n LYS 481 Cb 0.00 -0.96 -0.14 0.00 -0.00 0.00 0.00 35.03 33.94 3fg4 n LYS 481 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3fg4 s ASP 482 N -6.15 0.98 -0.12 -5.58 1.11 -1.26 0.20 116.67 105.85 3fg4 s ASP 482 Ca -0.18 -0.29 -0.05 0.00 0.18 0.00 0.00 52.55 52.21 3fg4 s ASP 482 Cb 0.06 -0.06 0.06 0.00 1.07 0.00 0.00 42.92 44.05 3fg4 s ASP 482 CO 0.23 0.01 0.26 -0.32 1.18 0.00 0.00 175.17 176.52 3fg4 s MET 483 N -0.68 0.17 -0.15 8.23 1.75 -0.23 -4.98 119.30 123.41 3fg4 s MET 483 Ca -0.01 0.69 -0.12 0.00 -1.25 0.00 0.00 55.69 55.00 3fg4 s MET 483 Cb -0.05 -0.05 -0.05 0.00 2.84 0.00 0.00 34.83 37.51 3fg4 s MET 483 CO 0.00 -0.24 0.26 0.08 -0.65 0.00 0.00 175.02 174.46 3fg4 s VAL 484 N 2.05 5.32 0.04 10.11 1.01 -1.26 -0.76 120.40 136.90 3fg4 s VAL 484 Ca -0.02 0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.48 3fg4 s VAL 484 Cb -0.11 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3fg4 s VAL 484 CO -0.09 0.44 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 3fg4 s LEU 485 N 0.12 2.16 0.08 3.92 1.43 0.40 -5.01 118.68 121.78 3fg4 s LEU 485 Ca 0.16 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 3fg4 s LEU 485 Cb -0.13 -0.60 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3fg4 s LEU 485 CO 0.04 0.04 -0.12 -0.36 0.23 0.00 0.00 176.35 176.18 3fg4 s PHE 486 N -0.82 2.71 0.55 0.29 0.40 -1.26 -1.63 117.98 118.22 3fg4 s PHE 486 Ca 0.02 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.06 3fg4 s PHE 486 Cb -0.08 -1.45 -0.05 0.00 0.51 0.00 0.00 43.02 41.95 3fg4 s PHE 486 CO 0.01 0.39 0.96 -1.25 0.70 0.00 0.00 175.22 176.04 3fg4 s PRO 487 N -1.99 3.71 3.10 0.24 0.04 -1.26 -4.36 135.00 134.48 3fg4 s PRO 487 Ca 0.19 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3fg4 s PRO 487 Cb -0.11 -2.16 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3fg4 s PRO 487 CO 0.11 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.17 3fg4 n GLY 488 N -2.22 -0.16 3.83 0.56 0.00 0.00 -4.94 105.19 102.26 3fg4 n GLY 488 Ca 0.05 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 3fg4 n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg4 s GLU 489 N 0.00 3.71 0.59 1.61 8.01 -1.26 -4.79 118.70 126.57 3fg4 s GLU 489 Ca 0.00 1.05 -0.19 0.00 0.01 0.00 0.00 54.97 55.84 3fg4 s GLU 489 Cb 0.00 -2.10 -0.05 0.00 -4.31 0.00 0.00 34.13 27.68 3fg4 s GLU 489 CO 0.00 -0.47 1.06 0.00 0.01 0.00 0.00 175.26 175.86 3fg4 n ALA 490 N -1.75 0.48 -2.51 5.21 0.00 -1.26 -5.04 120.51 115.64 3fg4 n ALA 490 Ca 0.07 0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 3fg4 n ALA 490 Cb 0.54 -2.17 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 3fg4 n ALA 490 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 491 N -1.46 0.28 0.50 0.00 -4.23 -0.46 -4.86 115.64 105.42 3fg4 s THR 491 Ca 0.76 -1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 59.68 3fg4 s THR 491 Cb -0.42 -0.98 -0.08 0.00 1.34 0.00 0.00 72.50 72.36 3fg4 s THR 491 CO 0.47 -0.73 0.97 -0.76 -0.54 0.00 0.00 174.62 174.03 3fg4 s LEU 492 N -2.25 3.66 0.38 4.79 1.43 -1.26 -4.04 118.68 121.38 3fg4 s LEU 492 Ca -0.03 1.56 0.11 0.00 -1.03 0.00 0.00 54.13 54.74 3fg4 s LEU 492 Cb -0.01 -4.49 0.88 0.00 0.03 0.00 0.00 46.19 42.60 3fg4 s LEU 492 CO -0.05 -0.56 1.89 1.55 0.23 0.00 0.00 176.35 179.42 3fg4 h PRO 493 N 1.03 0.60 -0.00 1.29 0.13 -1.97 -1.12 132.00 131.95 3fg4 h PRO 493 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3fg4 h PRO 493 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3fg4 h PRO 493 CO 0.62 0.40 -0.17 1.97 -0.23 0.00 0.00 178.00 180.58 3fg4 n PHE 494 N -4.53 0.00 -1.74 1.56 1.16 -1.26 -4.90 117.46 107.75 3fg4 n PHE 494 Ca 0.16 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.32 3fg4 n PHE 494 Cb 0.46 -0.21 0.00 0.00 -1.61 0.00 0.00 39.48 38.12 3fg4 n PHE 494 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 3fg4 n ASN 495 N -1.01 3.22 -4.67 5.98 5.03 -0.43 -4.85 115.26 118.53 3fg4 n ASN 495 Ca 0.12 1.19 -0.42 0.00 0.87 0.00 0.00 54.58 56.35 3fg4 n ASN 495 Cb 0.30 -1.56 -0.03 0.00 -1.02 0.00 0.00 39.78 37.48 3fg4 n ASN 495 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3fg4 s GLU 496 N -2.08 4.16 -0.02 3.52 2.12 -1.26 -4.97 118.70 120.18 3fg4 s GLU 496 Ca 0.56 2.46 -0.12 0.00 0.36 0.00 0.00 54.97 58.22 3fg4 s GLU 496 Cb -0.51 -3.90 0.02 0.00 0.26 0.00 0.00 34.13 30.00 3fg4 s GLU 496 CO 0.62 -0.86 0.25 0.54 -0.54 0.00 0.00 175.26 175.27 3fg4 s VAL 497 N 3.65 0.06 0.68 3.70 0.11 -1.26 -5.13 120.40 122.21 3fg4 s VAL 497 Ca 0.81 -0.50 -0.17 0.00 -2.93 0.00 0.00 61.98 59.19 3fg4 s VAL 497 Cb -0.41 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 3fg4 s VAL 497 CO 0.36 -0.27 1.06 -2.65 -3.33 0.00 0.00 175.10 170.26 3fg4 n PRO 498 N 1.49 0.74 -0.15 1.54 -0.02 -1.26 -4.84 135.00 132.50 3fg4 n PRO 498 Ca -0.21 0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.55 3fg4 n PRO 498 Cb 0.56 -2.29 0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3fg4 n PRO 498 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fg4 h ALA 499 N 0.10 0.55 -0.88 3.55 0.00 -2.00 -1.41 119.26 119.16 3fg4 h ALA 499 Ca -0.49 0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.68 3fg4 h ALA 499 Cb 1.34 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 3fg4 h ALA 499 CO 0.49 -0.28 0.57 0.97 0.00 0.00 0.00 179.25 181.00 3fg4 h ILE 500 N 0.27 0.77 -0.24 0.00 6.09 -2.00 -0.10 117.51 122.30 3fg4 h ILE 500 Ca 0.24 -0.20 -0.11 0.00 -1.37 0.00 0.00 64.86 63.42 3fg4 h ILE 500 Cb 0.29 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.73 3fg4 h ILE 500 CO -0.29 0.11 -0.29 0.58 -3.07 0.00 0.00 178.15 175.19 3fg4 h VAL 501 N 0.58 1.32 -0.42 2.19 2.07 -1.61 -2.55 116.25 117.82 3fg4 h VAL 501 Ca 0.45 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 3fg4 h VAL 501 Cb 0.88 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3fg4 h VAL 501 CO -0.20 0.46 0.26 0.28 0.02 0.00 0.00 177.57 178.39 3fg4 h SER 502 N 0.32 0.50 -0.31 0.57 0.02 -1.05 -0.40 113.55 113.19 3fg4 h SER 502 Ca 0.03 -0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 3fg4 h SER 502 Cb 0.86 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 3fg4 h SER 502 CO 0.07 0.40 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.73 3fg4 h GLU 503 N 0.56 -0.02 -0.68 3.45 5.08 -1.04 -1.14 114.58 120.79 3fg4 h GLU 503 Ca 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3fg4 h GLU 503 Cb -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 3fg4 h GLU 503 CO -0.03 -0.01 0.14 1.96 -1.00 0.00 0.00 179.01 180.07 3fg4 h GLN 504 N -0.02 1.11 -0.05 2.33 1.08 -1.20 -1.02 115.11 117.34 3fg4 h GLN 504 Ca 0.15 -0.28 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3fg4 h GLN 504 Cb 0.25 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3fg4 h GLN 504 CO -0.33 1.00 -0.02 -0.09 -0.95 0.00 0.00 178.83 178.43 3fg4 h ARG 505 N 1.04 -0.02 -0.08 1.46 2.43 -0.90 0.16 114.38 118.47 3fg4 h ARG 505 Ca 0.21 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3fg4 h ARG 505 Cb 0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 3fg4 h ARG 505 CO 0.01 -0.01 -0.12 1.96 -1.51 0.00 0.00 179.97 180.30 3fg4 h GLN 506 N -0.02 -0.16 -0.56 0.20 7.50 -0.86 -1.74 115.11 119.48 3fg4 h GLN 506 Ca 0.03 0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.29 3fg4 h GLN 506 Cb 0.06 0.04 -0.08 0.00 0.05 0.00 0.00 27.48 27.55 3fg4 h GLN 506 CO -0.06 -0.11 0.14 0.87 -1.50 0.00 0.00 178.83 178.17 3fg4 h LYS 507 N -0.17 0.27 -0.39 1.46 6.56 -0.91 -0.46 116.57 122.93 3fg4 h LYS 507 Ca 0.07 -0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.72 3fg4 h LYS 507 Cb 0.27 -0.06 -0.07 0.00 -0.57 0.00 0.00 32.23 31.79 3fg4 h LYS 507 CO -0.18 0.18 -0.09 1.49 -2.06 0.00 0.00 179.45 178.79 3fg4 h GLU 508 N 0.28 0.01 -0.78 3.15 4.81 -0.39 0.54 114.58 122.20 3fg4 h GLU 508 Ca 0.28 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 3fg4 h GLU 508 Cb 0.39 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 3fg4 h GLU 508 CO -0.35 0.01 0.39 -0.07 -0.73 0.00 0.00 179.01 178.26 3fg4 h LEU 509 N 0.01 1.00 -0.34 1.64 3.38 -0.35 -0.70 115.31 119.95 3fg4 h LEU 509 Ca 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fg4 h LEU 509 Cb 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3fg4 h LEU 509 CO -0.40 0.83 0.18 -0.33 0.09 0.00 0.00 178.44 178.81 3fg4 h GLU 510 N 1.11 0.48 -0.95 1.13 5.08 -0.63 -2.81 114.58 117.97 3fg4 h GLU 510 Ca 0.27 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3fg4 h GLU 510 Cb 0.08 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3fg4 h GLU 510 CO -0.04 0.41 0.62 1.96 -1.00 0.00 0.00 179.01 180.96 3fg4 h GLN 511 N 0.42 1.07 -0.24 2.33 4.20 -0.43 -2.54 115.11 119.91 3fg4 h GLN 511 Ca 0.12 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3fg4 h GLN 511 Cb 0.08 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 3fg4 h GLN 511 CO -0.02 0.71 -0.09 0.00 -0.67 0.00 0.00 178.83 178.76 3fg4 h ARG 512 N 1.10 0.39 0.00 1.46 2.47 -0.90 -1.95 114.38 116.95 3fg4 h ARG 512 Ca 0.41 -0.09 -0.06 0.00 -1.26 0.00 0.00 59.98 58.97 3fg4 h ARG 512 Cb 0.19 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 3fg4 h ARG 512 CO -0.16 0.50 -0.30 0.87 0.56 0.00 0.00 179.97 181.43 3fg4 h LYS 513 N 0.37 0.00 0.20 0.04 1.79 -1.24 0.32 116.57 118.04 3fg4 h LYS 513 Ca 0.08 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.21 3fg4 h LYS 513 Cb 0.40 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3fg4 h LYS 513 CO 0.02 0.30 -1.59 -0.07 -1.08 0.00 0.00 179.45 177.03 3fg4 h LEU 514 N 0.00 0.65 -0.20 2.94 3.38 -1.50 -3.38 115.31 117.19 3fg4 h LEU 514 Ca -0.00 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 56.82 3fg4 h LEU 514 Cb 0.94 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.48 3fg4 h LEU 514 CO 0.04 1.73 -0.79 0.74 0.09 0.00 0.00 178.44 180.25 3fg4 h THR 515 N 0.04 1.30 -3.59 0.22 2.02 -1.21 -3.42 112.91 108.27 3fg4 h THR 515 Ca -0.31 -2.04 -0.69 0.00 0.77 0.00 0.00 66.41 64.14 3fg4 h THR 515 Cb 2.05 2.05 -0.34 0.00 -1.74 0.00 0.00 68.15 70.17 3fg4 h THR 515 CO 0.19 0.64 -0.61 -0.31 0.37 0.00 0.00 175.52 175.80 3fg4 s TYR 516 N -3.67 3.49 0.09 3.16 1.51 0.11 -4.91 117.35 117.13 3fg4 s TYR 516 Ca -0.09 -2.24 0.09 0.00 -1.01 0.00 0.00 57.07 53.82 3fg4 s TYR 516 Cb 0.09 -2.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.07 3fg4 s TYR 516 CO 0.89 -0.91 -0.24 -0.65 -1.11 0.00 0.00 175.55 173.53 3fg4 s GLN 517 N 1.17 1.39 0.45 -0.62 -0.21 -1.26 -4.62 119.66 115.97 3fg4 s GLN 517 Ca 0.04 -1.16 -0.23 0.00 0.02 0.00 0.00 55.36 54.03 3fg4 s GLN 517 Cb -0.21 -1.68 -0.07 0.00 1.00 0.00 0.00 33.01 32.04 3fg4 s GLN 517 CO -0.03 0.41 1.17 -1.58 -2.12 0.00 0.00 175.29 173.14 3fg4 s TRP 518 N -0.99 2.89 0.08 0.91 0.52 -1.26 -0.37 118.94 120.71 3fg4 s TRP 518 Ca 0.10 1.53 -0.13 0.00 0.02 0.00 0.00 56.10 57.62 3fg4 s TRP 518 Cb -0.10 -3.39 0.02 0.00 -1.15 0.00 0.00 33.47 28.85 3fg4 s TRP 518 CO 0.04 -1.51 0.30 0.34 0.02 0.00 0.00 176.95 176.14 3fg4 s ASP 519 N -1.33 -0.09 -0.03 2.95 2.15 0.34 -4.54 116.67 116.12 3fg4 s ASP 519 Ca 0.63 -0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.26 3fg4 s ASP 519 Cb -0.29 0.39 0.03 0.00 -0.30 0.00 0.00 42.92 42.74 3fg4 s ASP 519 CO 0.35 -0.71 0.05 -0.31 -0.17 0.00 0.00 175.17 174.38 3fg4 s TYR 520 N -3.24 -0.01 0.34 -5.34 1.51 -1.26 -0.62 117.35 108.73 3fg4 s TYR 520 Ca -0.00 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.30 3fg4 s TYR 520 Cb 0.01 -0.17 0.62 0.00 -0.11 0.00 0.00 41.96 42.32 3fg4 s TYR 520 CO -0.08 -0.09 1.86 0.28 -1.11 0.00 0.00 175.55 176.42 3fg4 h VAL 521 N 6.07 1.20 -2.36 0.71 2.07 -1.87 -3.48 116.25 118.60 3fg4 h VAL 521 Ca -0.42 -0.85 0.17 0.00 0.82 0.00 0.00 66.70 66.42 3fg4 h VAL 521 Cb 1.14 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 3fg4 h VAL 521 CO 0.47 0.28 0.57 -1.54 0.02 0.00 0.00 177.57 177.37 3fg4 n SER 522 N -4.26 -1.43 0.25 0.57 3.41 -1.26 -5.00 113.62 105.90 3fg4 n SER 522 Ca 0.01 -1.68 0.15 0.00 -0.26 0.00 0.00 58.87 57.08 3fg4 n SER 522 Cb 0.27 2.31 0.47 0.00 -0.26 0.00 0.00 64.21 67.00 3fg4 n SER 522 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fg4 h ASP 523 N 1.73 0.00 -0.46 4.04 5.19 -2.01 -3.14 116.42 121.77 3fg4 h ASP 523 Ca -0.23 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.14 3fg4 h ASP 523 Cb 1.04 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.53 3fg4 h ASP 523 CO 0.31 0.03 0.04 0.47 -3.12 0.00 0.00 179.24 176.97 3fg4 n ASP 524 N -3.12 4.69 -4.20 6.45 8.00 -1.26 -4.75 116.55 122.36 3fg4 n ASP 524 Ca 0.02 -3.06 -0.24 0.00 0.71 0.00 0.00 54.79 52.22 3fg4 n ASP 524 Cb 0.40 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.72 3fg4 n ASP 524 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3fg4 s MET 525 N -2.86 1.32 0.70 -1.24 -1.94 -1.19 -4.39 119.30 109.71 3fg4 s MET 525 Ca 0.49 -0.78 -0.16 0.00 -1.71 0.00 0.00 55.69 53.53 3fg4 s MET 525 Cb 0.39 -1.35 0.02 0.00 2.01 0.00 0.00 34.83 35.90 3fg4 s MET 525 CO 0.12 0.35 1.25 -1.25 -0.01 0.00 0.00 175.02 175.48 3fg4 s PRO 526 N -0.85 2.26 0.55 2.03 0.04 -1.26 -4.77 135.00 133.00 3fg4 s PRO 526 Ca 0.06 1.91 -0.19 0.00 0.04 0.00 0.00 61.00 62.82 3fg4 s PRO 526 Cb -0.08 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 3fg4 s PRO 526 CO 0.01 -1.78 1.11 0.20 0.04 0.00 0.00 177.00 176.58 3fg4 s GLY 527 N -1.73 2.57 0.35 0.56 0.00 0.29 -4.73 107.32 104.62 3fg4 s GLY 527 Ca 0.78 0.77 0.06 0.00 0.00 0.00 0.00 44.72 46.32 3fg4 s GLY 527 CO 0.43 1.12 0.01 0.54 0.00 0.00 0.00 173.10 175.20 3fg4 s ASN 528 N -1.89 3.02 0.30 1.64 4.22 0.21 -3.81 114.94 118.64 3fg4 s ASN 528 Ca 0.71 -1.33 -0.29 0.00 -2.14 0.00 0.00 52.86 49.81 3fg4 s ASN 528 Cb -0.22 -0.22 -0.10 0.00 1.28 0.00 0.00 41.25 41.98 3fg4 s ASN 528 CO 0.27 -0.48 1.41 -0.51 -2.04 0.00 0.00 177.10 175.75 3fg4 s ILE 529 N -3.01 2.55 -0.22 0.54 2.07 -1.26 -0.51 121.20 121.36 3fg4 s ILE 529 Ca 0.34 0.51 -0.29 0.00 -1.41 0.00 0.00 60.65 59.80 3fg4 s ILE 529 Cb 0.08 -3.32 -0.01 0.00 0.13 0.00 0.00 42.46 39.33 3fg4 s ILE 529 CO 0.16 0.10 1.39 -0.75 -1.91 0.00 0.00 174.94 173.93 3fg4 s LYS 530 N -1.21 4.00 -0.30 3.50 2.20 0.50 -4.68 119.74 123.76 3fg4 s LYS 530 Ca 0.54 1.54 -0.16 0.00 -0.36 0.00 0.00 55.97 57.54 3fg4 s LYS 530 Cb -0.42 -3.89 0.17 0.00 -1.51 0.00 0.00 37.83 32.18 3fg4 s LYS 530 CO 0.51 -1.02 1.02 0.00 -0.36 0.00 0.00 175.35 175.50 3fg4 s ALA 531 N 4.28 -2.71 0.05 3.13 0.00 -1.26 -4.79 121.76 120.47 3fg4 s ALA 531 Ca 0.61 2.04 -0.33 0.00 0.00 0.00 0.00 51.96 54.28 3fg4 s ALA 531 Cb -0.21 -2.03 -0.19 0.00 0.00 0.00 0.00 23.12 20.69 3fg4 s ALA 531 CO 0.22 -0.86 1.49 0.87 0.00 0.00 0.00 175.76 177.48 3fg4 h LYS 532 N 7.22 -0.99 -5.29 0.00 1.57 -1.94 -3.46 116.57 113.68 3fg4 h LYS 532 Ca -0.17 0.07 -0.52 0.00 -1.87 0.00 0.00 60.65 58.15 3fg4 h LYS 532 Cb 1.13 0.23 -0.14 0.00 0.08 0.00 0.00 32.23 33.53 3fg4 h LYS 532 CO 0.10 -0.65 -0.59 0.95 -0.57 0.00 0.00 179.45 178.69 3fg4 s THR 533 N -5.70 1.28 0.21 -0.16 -4.23 -1.26 -4.77 115.64 101.01 3fg4 s THR 533 Ca -0.18 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.22 3fg4 s THR 533 Cb 0.03 -2.76 0.17 0.00 1.34 0.00 0.00 72.50 71.28 3fg4 s THR 533 CO 0.58 0.00 1.68 -0.74 -0.54 0.00 0.00 174.62 175.60 3fg4 h HIS 534 N 1.98 0.05 0.00 3.99 2.76 -1.90 -2.11 115.15 119.92 3fg4 h HIS 534 Ca -0.41 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3fg4 h HIS 534 Cb 1.25 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.28 3fg4 h HIS 534 CO 0.75 -0.10 0.00 -0.25 -1.30 0.00 0.00 177.93 177.02 3fg4 n ASP 535 N -5.21 0.00 0.23 3.26 10.43 -1.26 -0.33 116.55 123.67 3fg4 n ASP 535 Ca 0.08 0.49 0.14 0.00 2.57 0.00 0.00 54.79 58.07 3fg4 n ASP 535 Cb 0.32 -0.50 0.38 0.00 1.84 0.00 0.00 41.12 43.17 3fg4 n ASP 535 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 3fg4 h ASP 536 N 0.00 0.00 -3.92 -2.24 3.32 -1.78 -3.46 116.42 108.34 3fg4 h ASP 536 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3fg4 h ASP 536 Cb 0.28 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.93 3fg4 h ASP 536 CO 0.00 0.00 0.77 -0.76 -1.72 0.00 0.00 179.24 177.53 3fg4 s LEU 537 N -6.03 4.33 0.41 1.55 1.43 0.55 -4.96 118.68 115.95 3fg4 s LEU 537 Ca 0.05 3.02 -0.24 0.00 -1.03 0.00 0.00 54.13 55.93 3fg4 s LEU 537 Cb 0.07 -3.67 -0.11 0.00 0.03 0.00 0.00 46.19 42.51 3fg4 s LEU 537 CO 0.61 -0.85 0.90 -2.65 0.23 0.00 0.00 176.35 174.59 3fg4 n PRO 538 N 0.55 1.14 0.20 1.29 -0.02 -1.26 -4.76 135.00 132.14 3fg4 n PRO 538 Ca 0.01 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 3fg4 n PRO 538 Cb 0.39 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.44 3fg4 n PRO 538 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3fg4 h ARG 539 N 1.38 0.02 0.00 -0.52 2.43 -1.95 0.00 114.38 115.74 3fg4 h ARG 539 Ca -0.43 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3fg4 h ARG 539 Cb 1.35 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 3fg4 h ARG 539 CO 0.56 0.25 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.83 3fg4 h ASP 540 N 0.01 0.00 -0.11 -3.80 3.32 -1.94 -2.46 116.42 111.43 3fg4 h ASP 540 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 540 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3fg4 h ASP 540 CO 0.03 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 178.89 3fg4 n VAL 541 N -3.70 0.57 -1.27 -1.35 0.24 -0.06 -5.00 118.33 107.76 3fg4 n VAL 541 Ca -0.03 -0.78 -0.31 0.00 -2.04 0.00 0.00 64.34 61.18 3fg4 n VAL 541 Cb 0.09 0.77 0.10 0.00 -1.47 0.00 0.00 33.84 33.34 3fg4 n VAL 541 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3fg4 s GLN 542 N -0.79 1.95 0.52 7.34 -0.21 -0.91 -3.61 119.66 123.95 3fg4 s GLN 542 Ca 0.11 1.02 -0.21 0.00 0.02 0.00 0.00 55.36 56.30 3fg4 s GLN 542 Cb 0.06 -1.87 -0.08 0.00 1.00 0.00 0.00 33.01 32.12 3fg4 s GLN 542 CO 0.08 -1.81 0.95 1.19 -2.12 0.00 0.00 175.29 173.58 3fg4 n PHE 543 N -3.62 0.87 -0.88 0.91 3.72 -1.26 -4.85 117.46 112.35 3fg4 n PHE 543 Ca 0.08 0.48 -0.30 0.00 -0.05 0.00 0.00 57.45 57.67 3fg4 n PHE 543 Cb 0.54 -2.17 0.17 0.00 -0.94 0.00 0.00 39.48 37.08 3fg4 n PHE 543 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3fg4 s THR 544 N -1.43 2.37 0.35 4.37 -4.23 -1.26 -4.77 115.64 111.05 3fg4 s THR 544 Ca 0.69 0.12 0.07 0.00 -1.18 0.00 0.00 61.69 61.40 3fg4 s THR 544 Cb -0.48 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.14 3fg4 s THR 544 CO 0.52 -0.16 1.86 0.44 -0.54 0.00 0.00 174.62 176.74 3fg4 h ASP 545 N -1.89 0.30 -0.86 3.99 5.19 -1.95 -0.35 116.42 120.86 3fg4 h ASP 545 Ca -0.50 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 55.85 3fg4 h ASP 545 Cb 1.29 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 3fg4 h ASP 545 CO 0.49 0.49 0.57 -0.33 -3.12 0.00 0.00 179.24 177.34 3fg4 h GLU 546 N 0.30 1.10 0.01 3.56 3.07 -1.92 -0.09 114.58 120.61 3fg4 h GLU 546 Ca 0.06 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 58.62 3fg4 h GLU 546 Cb 0.46 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 3fg4 h GLU 546 CO 0.03 0.73 -1.12 -0.22 -1.40 0.00 0.00 179.01 177.03 3fg4 h LYS 547 N 1.14 0.01 -0.65 2.33 1.63 -1.73 -1.33 116.57 117.97 3fg4 h LYS 547 Ca 0.32 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.04 3fg4 h LYS 547 Cb -0.09 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 3fg4 h LYS 547 CO -0.08 0.94 0.18 0.77 -3.45 0.00 0.00 179.45 177.81 3fg4 h SER 548 N 0.00 0.96 -0.38 4.20 0.02 -0.85 -1.57 113.55 115.94 3fg4 h SER 548 Ca -0.06 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 3fg4 h SER 548 Cb 1.82 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 64.08 3fg4 h SER 548 CO 0.13 0.93 0.16 -0.09 -1.14 0.00 0.00 176.83 176.82 3fg4 h ARG 549 N 0.95 0.57 -0.67 3.45 2.43 -0.90 0.12 114.38 120.32 3fg4 h ARG 549 Ca 0.21 -0.10 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 3fg4 h ARG 549 Cb 0.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 3fg4 h ARG 549 CO -0.00 0.54 0.43 1.03 -1.51 0.00 0.00 179.97 180.45 3fg4 h SER 550 N 0.48 0.72 -0.06 -3.80 0.87 -1.12 0.34 113.55 110.98 3fg4 h SER 550 Ca 0.13 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3fg4 h SER 550 Cb 0.18 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3fg4 h SER 550 CO -0.01 0.51 -0.03 0.22 -0.53 0.00 0.00 176.83 176.99 3fg4 h TYR 551 N 0.85 0.14 -0.37 2.24 3.20 -1.08 -1.89 116.97 120.07 3fg4 h TYR 551 Ca 0.26 -0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.13 3fg4 h TYR 551 Cb -0.02 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3fg4 h TYR 551 CO -0.04 0.50 0.16 1.96 -1.64 0.00 0.00 178.16 179.10 3fg4 h GLN 552 N -0.26 0.32 -0.21 1.82 4.20 -0.55 -2.08 115.11 118.35 3fg4 h GLN 552 Ca 0.01 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 3fg4 h GLN 552 Cb 0.47 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3fg4 h GLN 552 CO 0.01 0.21 -0.45 0.93 -0.67 0.00 0.00 178.83 178.86 3fg4 h GLU 553 N 0.33 0.53 -0.79 1.46 5.08 -0.99 -2.39 114.58 117.81 3fg4 h GLU 553 Ca 0.16 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3fg4 h GLU 553 Cb 0.11 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 3fg4 h GLU 553 CO -0.14 0.88 0.51 0.66 -1.00 0.00 0.00 179.01 179.91 3fg4 h SER 554 N 0.43 0.92 -0.56 1.42 4.64 -0.91 0.79 113.55 120.28 3fg4 h SER 554 Ca 0.03 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3fg4 h SER 554 Cb 0.95 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.79 3fg4 h SER 554 CO 0.08 0.68 0.16 0.03 -0.87 0.00 0.00 176.83 176.92 3fg4 h ARG 555 N 1.08 0.92 0.00 4.77 2.47 -0.90 -1.18 114.38 121.54 3fg4 h ARG 555 Ca 0.29 -0.19 -0.18 0.00 -1.26 0.00 0.00 59.98 58.64 3fg4 h ARG 555 Cb -0.10 -0.14 0.01 0.00 -1.65 0.00 0.00 29.97 28.10 3fg4 h ARG 555 CO -0.06 0.81 -0.71 0.87 0.56 0.00 0.00 179.97 181.44 3fg4 h LYS 556 N 0.88 0.47 -0.35 0.04 1.57 -0.95 -2.68 116.57 115.56 3fg4 h LYS 556 Ca 0.19 -0.52 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3fg4 h LYS 556 Cb 0.29 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3fg4 h LYS 556 CO -0.00 1.16 0.01 0.00 -0.57 0.00 0.00 179.45 180.04 3fg4 h ALA 557 N 0.33 1.37 0.16 3.86 0.00 -0.76 -1.39 119.26 122.83 3fg4 h ALA 557 Ca -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fg4 h ALA 557 Cb 1.41 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg4 h ALA 557 CO 0.14 0.44 -0.08 0.00 0.00 0.00 0.00 179.25 179.75 3fg4 h ALA 558 N 1.50 -0.22 -0.83 0.00 0.00 -1.17 0.43 119.26 118.97 3fg4 h ALA 558 Ca 0.11 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.11 3fg4 h ALA 558 Cb 0.32 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 3fg4 h ALA 558 CO 0.01 -0.60 0.39 -0.07 0.00 0.00 0.00 179.25 178.98 3fg4 h LEU 559 N -0.25 0.43 0.11 0.00 3.38 -1.20 0.34 115.31 118.12 3fg4 h LEU 559 Ca -0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3fg4 h LEU 559 Cb 0.20 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3fg4 h LEU 559 CO 0.04 0.16 -0.05 0.58 0.09 0.00 0.00 178.44 179.25 3fg4 h VAL 560 N 0.54 1.10 -1.00 1.22 2.07 -0.86 -1.72 116.25 117.60 3fg4 h VAL 560 Ca 0.46 -1.10 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3fg4 h VAL 560 Cb 0.71 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3fg4 h VAL 560 CO -0.40 0.25 0.65 0.78 0.02 0.00 0.00 177.57 178.88 3fg4 h ASN 561 N -0.69 1.06 -0.46 0.57 2.35 0.17 0.64 115.58 119.22 3fg4 h ASN 561 Ca -0.02 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3fg4 h ASN 561 Cb 0.53 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 3fg4 h ASN 561 CO 0.02 0.69 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.42 3fg4 h LEU 562 N 1.21 0.81 -0.56 1.61 3.38 -0.32 0.12 115.31 121.55 3fg4 h LEU 562 Ca 0.42 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3fg4 h LEU 562 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3fg4 h LEU 562 CO -0.16 0.92 -0.23 1.23 0.09 0.00 0.00 178.44 180.29 3fg4 h GLY 563 N 0.67 0.99 0.70 0.83 0.00 -0.43 0.43 103.07 106.27 3fg4 h GLY 563 Ca 0.13 -0.88 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3fg4 h GLY 563 CO 0.02 0.80 -0.06 -2.22 0.00 0.00 0.00 176.54 175.08 3fg4 h ILE 564 N 0.79 1.01 -0.89 2.60 2.04 -0.94 -1.23 117.51 120.90 3fg4 h ILE 564 Ca 0.10 -0.64 0.18 0.00 1.00 0.00 0.00 64.86 65.51 3fg4 h ILE 564 Cb 0.79 1.41 -0.11 0.00 -0.74 0.00 0.00 36.82 38.17 3fg4 h ILE 564 CO 0.07 0.15 0.44 1.23 0.00 0.00 0.00 178.15 180.04 3fg4 h GLY 565 N -0.48 1.50 0.85 5.37 0.00 -0.75 -1.19 103.07 108.37 3fg4 h GLY 565 Ca -0.02 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3fg4 h GLY 565 CO 0.03 -0.14 -0.01 0.23 0.00 0.00 0.00 176.54 176.66 3fg4 h SER 566 N 0.55 0.44 -0.94 0.19 0.87 0.01 -2.36 113.55 112.31 3fg4 h SER 566 Ca 0.52 -0.32 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 3fg4 h SER 566 Cb 0.86 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 3fg4 h SER 566 CO -0.43 0.65 0.62 -0.07 -0.53 0.00 0.00 176.83 177.07 3fg4 h LEU 567 N 0.22 1.07 -0.53 2.23 3.38 -0.79 -1.57 115.31 119.32 3fg4 h LEU 567 Ca 0.07 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 3fg4 h LEU 567 Cb 0.43 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3fg4 h LEU 567 CO 0.01 0.77 0.01 0.15 0.09 0.00 0.00 178.44 179.48 3fg4 h PHE 568 N 1.27 1.02 -0.66 1.13 3.04 -1.00 -3.10 116.94 118.64 3fg4 h PHE 568 Ca 0.35 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 62.13 3fg4 h PHE 568 Cb -0.13 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.11 3fg4 h PHE 568 CO -0.01 0.93 0.00 0.25 -2.02 0.00 0.00 178.31 177.46 3fg4 n THR 569 N -4.29 1.23 -0.32 4.41 -2.24 -0.91 -4.66 114.28 107.51 3fg4 n THR 569 Ca 0.02 -1.07 0.08 0.00 -2.27 0.00 0.00 64.05 60.81 3fg4 n THR 569 Cb 0.32 0.40 0.24 0.00 -2.10 0.00 0.00 70.33 69.18 3fg4 n THR 569 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3fg4 h MET 570 N 3.90 0.74 -0.46 -0.78 4.05 -1.21 -2.20 114.93 118.97 3fg4 h MET 570 Ca 0.00 -0.04 -0.27 0.00 -0.28 0.00 0.00 59.70 59.11 3fg4 h MET 570 Cb 1.08 -0.17 -0.16 0.00 -0.80 0.00 0.00 31.60 31.55 3fg4 h MET 570 CO 0.06 0.49 -0.07 1.19 0.23 0.00 0.00 176.91 178.81 3fg4 n PHE 571 N -4.77 1.47 -3.31 1.39 3.01 -1.26 -4.96 117.46 109.02 3fg4 n PHE 571 Ca 0.18 -1.78 -0.38 0.00 1.01 0.00 0.00 57.45 56.48 3fg4 n PHE 571 Cb 0.42 -0.56 -0.06 0.00 -0.01 0.00 0.00 39.48 39.27 3fg4 n PHE 571 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3fg4 s GLU 572 N -3.33 4.22 -0.24 -1.08 2.02 -0.83 -5.04 118.70 114.42 3fg4 s GLU 572 Ca 0.47 0.57 -0.19 0.00 0.02 0.00 0.00 54.97 55.85 3fg4 s GLU 572 Cb 0.42 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.29 3fg4 s GLU 572 CO 0.00 0.40 0.55 0.54 0.02 0.00 0.00 175.26 176.78 3fg4 s ASN 573 N -0.24 6.52 -0.26 -0.19 6.03 -1.26 -5.05 114.94 120.50 3fg4 s ASN 573 Ca 0.28 0.63 -0.24 0.00 -1.03 0.00 0.00 52.86 52.50 3fg4 s ASN 573 Cb -0.17 -2.30 -0.00 0.00 -3.03 0.00 0.00 41.25 35.74 3fg4 s ASN 573 CO 0.14 -0.28 0.80 0.26 -2.03 0.00 0.00 177.10 175.99 3fg4 s TRP 574 N 2.14 3.27 0.00 1.54 0.52 -1.26 -4.87 118.94 120.29 3fg4 s TRP 574 Ca 0.24 1.00 0.00 0.00 0.02 0.00 0.00 56.10 57.36 3fg4 s TRP 574 Cb -0.16 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.08 3fg4 s TRP 574 CO 0.09 -0.44 0.65 -0.40 0.02 0.00 0.00 176.95 176.87 3fg4 n ASP 575 N 6.04 1.20 -4.12 2.95 5.68 -1.26 -5.05 116.55 121.99 3fg4 n ASP 575 Ca 0.04 -1.41 -0.10 0.00 -0.50 0.00 0.00 54.79 52.82 3fg4 n ASP 575 Cb 0.48 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.37 3fg4 n ASP 575 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg4 s SER 576 N -0.41 0.19 0.21 -1.12 1.04 -1.26 -4.98 113.70 107.37 3fg4 s SER 576 Ca 0.00 -1.19 -0.05 0.00 0.48 0.00 0.00 55.95 55.18 3fg4 s SER 576 Cb 0.00 0.36 0.17 0.00 0.10 0.00 0.00 66.02 66.66 3fg4 s SER 576 CO 0.00 -0.82 1.64 1.88 0.98 0.00 0.00 173.24 176.92 3fg4 h TYR 577 N 2.70 0.95 0.00 5.02 0.99 -1.98 -3.15 116.97 121.50 3fg4 h TYR 577 Ca -0.34 -0.20 0.00 0.00 2.00 0.00 0.00 58.73 60.19 3fg4 h TYR 577 Cb 1.22 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.72 3fg4 h TYR 577 CO 0.40 0.94 0.00 -0.44 -0.00 0.00 0.00 178.16 179.06 3fg4 h ASP 578 N 0.75 0.00 -0.09 3.88 3.32 -2.01 -2.13 116.42 120.15 3fg4 h ASP 578 Ca 0.12 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.19 3fg4 h ASP 578 Cb 0.67 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 3fg4 h ASP 578 CO 0.05 0.00 0.07 0.44 -1.72 0.00 0.00 179.24 178.08 3fg4 h ASP 579 N 0.00 0.00 0.50 6.45 3.45 -1.96 -2.61 116.42 122.26 3fg4 h ASP 579 Ca 0.00 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.41 3fg4 h ASP 579 Cb 0.26 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3fg4 h ASP 579 CO 0.00 0.00 -0.25 1.88 -1.57 0.00 0.00 179.24 179.30 3fg4 h TYR 580 N 0.00 0.00 -0.54 4.55 -1.99 -1.60 -2.94 116.97 114.45 3fg4 h TYR 580 Ca 0.04 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.93 3fg4 h TYR 580 Cb 0.18 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3fg4 h TYR 580 CO 0.00 0.25 0.41 0.45 -0.00 0.00 0.00 178.16 179.26 3fg4 h HIS 581 N 0.00 0.00 0.00 4.88 3.86 -1.66 -2.53 115.15 119.70 3fg4 h HIS 581 Ca -0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3fg4 h HIS 581 Cb 0.56 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 3fg4 h HIS 581 CO 0.00 0.00 -0.09 0.97 0.86 0.00 0.00 177.93 179.67 3fg4 h ILE 582 N 0.00 1.07 0.00 2.45 6.09 -1.73 -3.12 117.51 122.26 3fg4 h ILE 582 Ca 0.26 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 3fg4 h ILE 582 Cb 1.07 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.53 3fg4 h ILE 582 CO -0.00 0.09 0.00 -0.07 -3.07 0.00 0.00 178.15 175.10 3fg4 h LEU 583 N 0.00 0.00 -2.16 2.19 3.38 -1.68 -2.35 115.31 114.69 3fg4 h LEU 583 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fg4 h LEU 583 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3fg4 h LEU 583 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3fg4 n TYR 584 N -2.60 0.29 0.09 1.13 0.18 -1.18 -4.67 117.16 110.41 3fg4 n TYR 584 Ca 0.03 -0.15 -0.07 0.00 1.88 0.00 0.00 57.90 59.59 3fg4 n TYR 584 Cb 0.34 0.00 -0.01 0.00 -0.38 0.00 0.00 39.34 39.30 3fg4 n TYR 584 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 3fg4 h ARG 585 N 4.59 0.09 -0.89 -3.48 2.43 -1.54 -3.08 114.38 112.50 3fg4 h ARG 585 Ca 0.00 -0.11 -0.49 0.00 -0.81 0.00 0.00 59.98 58.57 3fg4 h ARG 585 Cb 1.00 0.03 -0.28 0.00 -0.42 0.00 0.00 29.97 30.30 3fg4 h ARG 585 CO 0.00 0.90 0.54 0.27 -1.51 0.00 0.00 179.97 180.17 3fg4 n ASN 586 N -3.59 4.11 -4.20 -3.80 6.94 -1.26 -4.89 115.26 108.57 3fg4 n ASN 586 Ca -0.02 -3.67 -0.28 0.00 -0.02 0.00 0.00 54.58 50.59 3fg4 n ASN 586 Cb 0.81 -0.82 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 3fg4 n ASN 586 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3fg4 s TRP 587 N -3.37 1.96 -0.75 -2.53 0.52 -1.16 -4.88 118.94 108.72 3fg4 s TRP 587 Ca 0.56 -0.50 -0.25 0.00 0.02 0.00 0.00 56.10 55.93 3fg4 s TRP 587 Cb 0.47 -1.29 0.05 0.00 -1.15 0.00 0.00 33.47 31.56 3fg4 s TRP 587 CO 0.07 -0.13 1.18 0.42 0.02 0.00 0.00 176.95 178.51 3fg4 s ILE 588 N -0.20 4.01 -0.77 2.03 -1.09 -1.26 -4.75 121.20 119.17 3fg4 s ILE 588 Ca 0.00 -0.10 0.08 0.00 -2.23 0.00 0.00 60.65 58.41 3fg4 s ILE 588 Cb -0.11 -4.84 0.00 0.00 -1.58 0.00 0.00 42.46 35.93 3fg4 s ILE 588 CO 0.01 -1.71 0.58 0.18 -1.23 0.00 0.00 174.94 172.77 3fg4 n LEU 589 N 8.58 1.12 0.00 2.97 4.77 -1.26 -4.99 117.00 128.19 3fg4 n LEU 589 Ca 0.05 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3fg4 n LEU 589 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3fg4 n LEU 589 CO 0.67 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.57 3fg4 n GLY 590 N 0.80 0.90 0.00 -0.72 0.00 -1.26 -4.97 105.19 99.94 3fg4 n GLY 590 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3fg4 n GLY 590 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 591 N -1.74 3.62 3.61 -0.02 0.00 -1.26 -5.05 105.19 104.35 3fg4 n GLY 591 Ca 0.00 -1.65 -0.49 0.00 0.00 0.00 0.00 46.02 43.88 3fg4 n GLY 591 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fg4 n THR 592 N -1.10 0.27 -1.58 2.61 -1.04 -1.26 -4.86 114.28 107.32 3fg4 n THR 592 Ca 0.00 -0.07 -0.53 0.00 -2.04 0.00 0.00 64.05 61.41 3fg4 n THR 592 Cb 0.00 -1.06 -0.06 0.00 -1.82 0.00 0.00 70.33 67.39 3fg4 n THR 592 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3fg4 n PRO 593 N 2.53 1.00 0.00 -2.82 -0.02 -1.26 -4.83 135.00 129.61 3fg4 n PRO 593 Ca 0.17 0.36 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 3fg4 n PRO 593 Cb 0.24 -1.99 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 3fg4 n PRO 593 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3fg4 n ASN 594 N 2.39 0.00 -0.74 2.55 2.04 -1.26 -1.94 115.26 118.30 3fg4 n ASN 594 Ca 0.19 0.32 0.10 0.00 -0.44 0.00 0.00 54.58 54.75 3fg4 n ASN 594 Cb 0.18 -0.39 0.07 0.00 -2.53 0.00 0.00 39.78 37.11 3fg4 n ASN 594 CO 0.00 0.00 0.00 0.23 -0.44 0.00 0.00 177.26 177.05 3fg4 n MET 595 N -1.39 1.77 -0.32 -3.83 2.81 -1.26 -4.61 117.12 110.29 3fg4 n MET 595 Ca 0.03 -1.56 0.03 0.00 -1.81 0.00 0.00 57.70 54.39 3fg4 n MET 595 Cb 0.08 -1.39 0.22 0.00 -0.71 0.00 0.00 33.22 31.42 3fg4 n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fg4 h ALA 596 N 3.90 1.47 -0.01 3.04 0.00 -1.69 -0.79 119.26 125.18 3fg4 h ALA 596 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fg4 h ALA 596 Cb 0.82 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3fg4 h ALA 596 CO 0.00 0.40 -0.01 -0.40 0.00 0.00 0.00 179.25 179.24 3fg4 n ASP 597 N -4.48 1.44 -0.03 0.00 3.85 -1.26 -4.42 116.55 111.64 3fg4 n ASP 597 Ca 0.14 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.76 3fg4 n ASP 597 Cb 0.18 0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 3fg4 n ASP 597 CO 0.00 0.00 0.00 -2.11 -1.01 0.00 0.00 177.20 174.08 3fg4 n ARG 598 N 0.10 0.00 0.27 0.11 1.85 -0.86 -4.90 116.66 113.23 3fg4 n ARG 598 Ca 0.19 -0.28 0.13 0.00 -1.00 0.00 0.00 57.85 56.89 3fg4 n ARG 598 Cb 0.35 -0.26 0.75 0.00 -1.05 0.00 0.00 32.46 32.25 3fg4 n ARG 598 CO 0.00 0.00 0.00 0.11 -0.01 0.00 0.00 177.63 177.73 3fg4 h TRP 599 N 0.00 0.00 0.00 2.89 5.08 -1.37 -2.50 115.95 120.05 3fg4 h TRP 599 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fg4 h TRP 599 Cb 1.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 3fg4 h TRP 599 CO -0.00 0.10 -0.34 1.12 -1.28 0.00 0.00 178.44 178.04 3fg4 h HIS 600 N 0.00 0.00 -3.34 0.12 2.07 -1.90 -3.41 115.15 108.69 3fg4 h HIS 600 Ca -0.00 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.95 3fg4 h HIS 600 Cb 0.28 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.20 3fg4 h HIS 600 CO 0.00 0.00 0.30 -1.21 -3.07 0.00 0.00 177.93 173.95 3fg4 s GLU 601 N -3.18 4.38 0.31 5.12 2.02 -0.94 -4.97 118.70 121.44 3fg4 s GLU 601 Ca 0.07 1.03 0.07 0.00 0.02 0.00 0.00 54.97 56.16 3fg4 s GLU 601 Cb 0.11 -3.52 0.88 0.00 0.10 0.00 0.00 34.13 31.69 3fg4 s GLU 601 CO 0.68 -0.17 1.61 -0.44 0.02 0.00 0.00 175.26 176.96 3fg4 h ASP 602 N 7.09 -0.04 -0.35 -0.19 3.32 -1.88 0.29 116.42 124.66 3fg4 h ASP 602 Ca -0.34 0.23 0.04 0.00 0.02 0.00 0.00 57.03 56.98 3fg4 h ASP 602 Cb 1.16 0.32 -0.04 0.00 0.22 0.00 0.00 39.33 41.00 3fg4 h ASP 602 CO 0.80 -0.27 0.12 -0.09 -1.72 0.00 0.00 179.24 178.08 3fg4 h ARG 603 N 0.12 0.25 0.00 3.56 1.12 -1.93 0.14 114.38 117.64 3fg4 h ARG 603 Ca 0.64 -0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 59.28 3fg4 h ARG 603 Cb 1.41 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 31.28 3fg4 h ARG 603 CO -0.75 0.17 -1.08 -1.49 -3.11 0.00 0.00 179.97 173.71 3fg4 h TRP 604 N 0.26 0.00 -0.50 2.20 4.06 -1.05 -1.48 115.95 119.44 3fg4 h TRP 604 Ca 0.16 0.00 0.04 0.00 2.06 0.00 0.00 58.89 61.15 3fg4 h TRP 604 Cb 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 3fg4 h TRP 604 CO -0.14 0.95 0.25 0.35 -3.56 0.00 0.00 178.44 176.28 3fg4 h PHE 605 N 0.00 0.46 -0.00 0.49 3.57 -0.35 -2.95 116.94 118.16 3fg4 h PHE 605 Ca -0.06 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.28 3fg4 h PHE 605 Cb 1.77 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.36 3fg4 h PHE 605 CO 0.00 0.22 -0.83 0.78 -2.23 0.00 0.00 178.31 176.25 3fg4 h GLY 606 N 0.49 0.14 0.93 2.40 0.00 -0.84 -3.19 103.07 103.00 3fg4 h GLY 606 Ca 0.22 -0.25 0.11 0.00 0.00 0.00 0.00 47.33 47.41 3fg4 h GLY 606 CO -0.16 0.22 0.44 -1.82 0.00 0.00 0.00 176.54 175.22 3fg4 h TYR 607 N 0.07 0.47 0.00 5.60 3.20 -1.09 -2.53 116.97 122.69 3fg4 h TYR 607 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3fg4 h TYR 607 Cb 1.45 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.56 3fg4 h TYR 607 CO 0.02 0.21 0.00 1.96 -1.64 0.00 0.00 178.16 178.71 3fg4 h GLN 608 N 0.43 0.00 0.00 1.82 4.20 -1.52 -1.23 115.11 118.81 3fg4 h GLN 608 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3fg4 h GLN 608 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3fg4 h GLN 608 CO -0.09 0.00 0.00 0.74 -0.67 0.00 0.00 178.83 178.81 3fg4 h PHE 609 N 0.00 0.00 0.00 2.96 -1.00 -1.60 0.96 116.94 118.26 3fg4 h PHE 609 Ca 0.00 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.41 3fg4 h PHE 609 Cb 0.75 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.24 3fg4 h PHE 609 CO 0.00 0.00 -2.38 1.28 -1.61 0.00 0.00 178.31 175.60 3fg4 n LEU 610 N -2.89 2.87 -0.01 1.54 4.77 -0.86 -4.41 117.00 118.01 3fg4 n LEU 610 Ca 0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3fg4 n LEU 610 Cb 0.28 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 3fg4 n LEU 610 CO 0.25 0.87 0.43 0.59 -1.33 0.00 0.00 177.39 178.21 3fg4 n ASN 611 N -3.30 1.46 -1.66 -1.43 3.02 -0.52 -4.31 115.26 108.52 3fg4 n ASN 611 Ca -0.43 -1.76 0.00 0.00 -0.03 0.00 0.00 54.58 52.35 3fg4 n ASN 611 Cb 0.94 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 3fg4 n ASN 611 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fg4 n GLY 612 N -0.39 1.09 0.23 7.41 0.00 0.33 -4.91 105.19 108.94 3fg4 n GLY 612 Ca 0.00 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.43 3fg4 n GLY 612 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 h ALA 613 N -1.55 0.97 -1.91 4.61 0.00 -1.83 -3.37 119.26 116.18 3fg4 h ALA 613 Ca 0.00 -0.07 -0.54 0.00 0.00 0.00 0.00 54.91 54.30 3fg4 h ALA 613 Cb 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.36 3fg4 h ALA 613 CO 0.00 0.09 -0.83 -1.71 0.00 0.00 0.00 179.25 176.80 3fg4 n ASN 614 N -3.13 3.49 -1.24 0.00 4.05 -1.26 -4.27 115.26 112.90 3fg4 n ASN 614 Ca 0.03 -3.46 0.00 0.00 0.45 0.00 0.00 54.58 51.60 3fg4 n ASN 614 Cb 0.49 -0.54 0.00 0.00 1.23 0.00 0.00 39.78 40.96 3fg4 n ASN 614 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 3fg4 n PRO 615 N -0.18 0.88 0.00 1.20 -0.04 -1.26 -4.09 135.00 131.52 3fg4 n PRO 615 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3fg4 n PRO 615 Cb 0.55 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.96 3fg4 n PRO 615 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3fg4 n VAL 616 N 0.99 0.00 -0.04 0.52 0.24 -1.26 -4.76 118.33 114.02 3fg4 n VAL 616 Ca 0.00 -0.36 0.01 0.00 -2.04 0.00 0.00 64.34 61.96 3fg4 n VAL 616 Cb 0.44 0.90 -0.13 0.00 -1.47 0.00 0.00 33.84 33.58 3fg4 n VAL 616 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3fg4 n ILE 617 N -0.94 0.49 -1.71 1.34 3.06 -1.26 -4.97 119.36 115.37 3fg4 n ILE 617 Ca 0.00 -0.53 -0.43 0.00 -2.50 0.00 0.00 62.75 59.29 3fg4 n ILE 617 Cb 0.00 -0.19 -0.03 0.00 0.54 0.00 0.00 39.64 39.96 3fg4 n ILE 617 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 3fg4 n LEU 618 N -2.33 3.86 -4.15 9.51 7.94 -1.26 -4.71 117.00 125.86 3fg4 n LEU 618 Ca -0.13 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.71 3fg4 n LEU 618 Cb 0.71 -1.54 -0.12 0.00 0.53 0.00 0.00 43.42 43.01 3fg4 n LEU 618 CO 0.36 0.00 -0.44 -0.89 -1.11 0.00 0.00 177.39 175.31 3fg4 s THR 619 N 0.53 0.95 0.28 1.96 2.01 -0.24 -4.90 115.64 116.23 3fg4 s THR 619 Ca 0.71 -1.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 3fg4 s THR 619 Cb -0.55 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 70.85 3fg4 s THR 619 CO 0.41 -0.31 1.55 -0.60 -0.69 0.00 0.00 174.62 174.98 3fg4 s ARG 620 N -1.85 4.16 -0.43 4.92 3.52 0.11 0.19 118.95 129.56 3fg4 s ARG 620 Ca -0.03 2.51 -0.18 0.00 -0.13 0.00 0.00 55.73 57.89 3fg4 s ARG 620 Cb -0.09 -3.04 0.03 0.00 -1.56 0.00 0.00 34.95 30.28 3fg4 s ARG 620 CO 0.02 -0.57 0.52 0.00 -0.81 0.00 0.00 175.30 174.45 3fg4 h ASP 622 N 8.80 0.00 -3.58 0.00 3.32 -1.86 -3.44 116.42 119.66 3fg4 h ASP 622 Ca -0.26 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3fg4 h ASP 622 Cb 1.10 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.41 3fg4 h ASP 622 CO 0.84 0.26 0.33 0.00 -1.72 0.00 0.00 179.24 178.96 3fg4 s ALA 623 N -3.16 -1.90 0.16 3.45 0.00 -1.26 -4.84 121.76 114.21 3fg4 s ALA 623 Ca -0.01 1.90 -0.32 0.00 0.00 0.00 0.00 51.96 53.53 3fg4 s ALA 623 Cb 0.09 -1.27 -0.12 0.00 0.00 0.00 0.00 23.12 21.81 3fg4 s ALA 623 CO 0.79 -0.28 1.72 1.28 0.00 0.00 0.00 175.76 179.27 3fg4 n LEU 624 N 2.28 3.72 -4.45 0.00 7.99 -1.26 -4.96 117.00 120.32 3fg4 n LEU 624 Ca -0.13 1.04 -0.45 0.00 -0.01 0.00 0.00 56.01 56.47 3fg4 n LEU 624 Cb 0.56 -1.51 -0.01 0.00 -0.11 0.00 0.00 43.42 42.34 3fg4 n LEU 624 CO 0.04 0.03 0.11 -2.65 -1.51 0.00 0.00 177.39 173.41 3fg4 n PRO 625 N 4.37 0.51 0.17 3.23 -0.02 -1.26 -4.83 135.00 137.17 3fg4 n PRO 625 Ca 0.17 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 3fg4 n PRO 625 Cb 0.33 -1.36 0.21 0.00 -0.02 0.00 0.00 33.50 32.67 3fg4 n PRO 625 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fg4 h SER 626 N 1.12 0.00 -0.11 2.55 4.64 -2.01 -2.63 113.55 117.10 3fg4 h SER 626 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3fg4 h SER 626 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3fg4 h SER 626 CO 0.55 0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 176.48 3fg4 n ASN 627 N -3.39 0.64 -3.55 4.97 2.04 -1.26 -4.29 115.26 110.42 3fg4 n ASN 627 Ca 0.01 -1.94 -0.27 0.00 -0.44 0.00 0.00 54.58 51.93 3fg4 n ASN 627 Cb 0.60 -0.08 -0.11 0.00 -2.53 0.00 0.00 39.78 37.67 3fg4 n ASN 627 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 3fg4 n PHE 628 N -0.18 0.53 -1.41 -2.53 7.35 -0.99 -3.70 117.46 116.54 3fg4 n PHE 628 Ca 0.05 -3.66 -0.30 0.00 -0.76 0.00 0.00 57.45 52.79 3fg4 n PHE 628 Cb 0.11 -0.06 -0.07 0.00 0.35 0.00 0.00 39.48 39.81 3fg4 n PHE 628 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3fg4 n PRO 629 N 2.47 3.24 -3.03 -7.13 -0.04 -1.26 -4.62 135.00 124.62 3fg4 n PRO 629 Ca 0.26 -2.18 -0.40 0.00 -0.04 0.00 0.00 63.50 61.15 3fg4 n PRO 629 Cb 0.44 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 3fg4 n PRO 629 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg4 s VAL 630 N 0.42 4.86 0.36 0.52 1.01 -1.26 -5.05 120.40 121.26 3fg4 s VAL 630 Ca 0.64 1.52 0.08 0.00 0.00 0.00 0.00 61.98 64.22 3fg4 s VAL 630 Cb 0.25 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3fg4 s VAL 630 CO -0.08 0.33 0.15 0.42 0.00 0.00 0.00 175.10 175.92 3fg4 s THR 631 N 0.21 2.83 0.53 3.92 -4.23 -1.26 -5.01 115.64 112.63 3fg4 s THR 631 Ca 0.37 -1.71 0.25 0.00 -1.18 0.00 0.00 61.69 59.43 3fg4 s THR 631 Cb -0.19 -2.96 0.39 0.00 1.34 0.00 0.00 72.50 71.08 3fg4 s THR 631 CO 0.21 -0.14 2.00 0.78 -0.54 0.00 0.00 174.62 176.93 3fg4 h ASN 632 N 1.53 0.00 0.39 3.99 2.35 -1.98 -2.81 115.58 119.05 3fg4 h ASN 632 Ca -0.43 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.10 3fg4 h ASN 632 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 3fg4 h ASN 632 CO 0.65 0.00 -0.93 -0.33 -1.65 0.00 0.00 177.43 175.16 3fg4 h GLU 633 N 0.00 0.37 -0.92 0.81 3.07 -2.01 -0.52 114.58 115.37 3fg4 h GLU 633 Ca 0.24 -0.40 0.11 0.00 -0.50 0.00 0.00 59.36 58.81 3fg4 h GLU 633 Cb 0.98 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 28.94 3fg4 h GLU 633 CO -0.00 1.08 0.59 0.45 -1.40 0.00 0.00 179.01 179.73 3fg4 h HIS 634 N 0.20 0.99 0.00 4.33 3.86 -1.90 -3.39 115.15 119.25 3fg4 h HIS 634 Ca -0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3fg4 h HIS 634 Cb 1.57 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.72 3fg4 h HIS 634 CO 0.05 0.44 0.00 1.33 0.86 0.00 0.00 177.93 180.61 3fg4 n VAL 635 N -4.55 0.00 0.23 2.45 0.24 -1.12 -4.75 118.33 110.84 3fg4 n VAL 635 Ca 0.16 -0.27 0.10 0.00 -2.04 0.00 0.00 64.34 62.29 3fg4 n VAL 635 Cb 0.33 1.42 0.68 0.00 -1.47 0.00 0.00 33.84 34.80 3fg4 n VAL 635 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fg4 h ASN 636 N 0.00 0.00 0.27 -1.34 -1.07 -1.30 -1.39 115.58 110.75 3fg4 h ASN 636 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 3fg4 h ASN 636 Cb 0.21 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.46 3fg4 h ASN 636 CO 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 177.43 177.48 3fg4 h ALA 637 N 1.96 1.12 0.00 4.14 0.00 -1.85 -2.28 119.26 122.35 3fg4 h ALA 637 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fg4 h ALA 637 Cb 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fg4 h ALA 637 CO -0.00 0.03 -1.15 0.43 0.00 0.00 0.00 179.25 178.56 3fg4 n SER 638 N -3.29 0.77 -4.84 0.00 7.64 -0.53 -4.93 113.62 108.44 3fg4 n SER 638 Ca -0.02 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.84 3fg4 n SER 638 Cb 0.15 0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 63.85 3fg4 n SER 638 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fg4 s LEU 639 N -5.35 3.71 0.00 -3.43 1.43 -0.86 -4.98 118.68 109.20 3fg4 s LEU 639 Ca -0.02 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3fg4 s LEU 639 Cb 0.10 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.87 3fg4 s LEU 639 CO 0.80 -0.52 0.50 -0.90 0.23 0.00 0.00 176.35 176.46 3fg4 n ASP 640 N -1.36 0.00 -1.10 2.29 5.75 -1.26 -4.89 116.55 115.99 3fg4 n ASP 640 Ca 0.06 -1.17 0.08 0.00 -0.01 0.00 0.00 54.79 53.75 3fg4 n ASP 640 Cb 0.54 -0.03 0.26 0.00 -1.03 0.00 0.00 41.12 40.86 3fg4 n ASP 640 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3fg4 n ARG 641 N 0.00 3.13 -1.52 0.11 1.74 -1.26 -4.74 116.66 114.12 3fg4 n ARG 641 Ca 0.00 -2.54 -0.08 0.00 -0.77 0.00 0.00 57.85 54.46 3fg4 n ARG 641 Cb 0.53 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3fg4 n ARG 641 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fg4 n GLY 642 N 0.74 0.67 3.22 -0.13 0.00 -1.26 -5.04 105.19 103.38 3fg4 n GLY 642 Ca 0.20 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 3fg4 n GLY 642 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fg4 s LYS 643 N -3.20 0.95 0.00 1.61 1.02 -1.26 -5.16 119.74 113.70 3fg4 s LYS 643 Ca 0.00 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 54.83 3fg4 s LYS 643 Cb 0.00 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.47 3fg4 s LYS 643 CO 0.00 0.16 0.00 0.27 -0.92 0.00 0.00 175.35 174.86 3fg4 n ASN 644 N 0.72 0.00 0.08 2.83 2.04 -1.26 -4.80 115.26 114.88 3fg4 n ASN 644 Ca -0.17 -0.98 -0.13 0.00 -0.44 0.00 0.00 54.58 52.86 3fg4 n ASN 644 Cb 0.56 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.73 3fg4 n ASN 644 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3fg4 h LEU 645 N 0.00 -0.20 -1.67 -4.53 5.85 -1.94 -1.61 115.31 111.22 3fg4 h LEU 645 Ca 0.00 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.51 3fg4 h LEU 645 Cb 0.00 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3fg4 h LEU 645 CO 0.00 0.22 0.35 0.44 -0.34 0.00 0.00 178.44 179.11 3fg4 h ASP 646 N -0.65 0.35 0.16 1.25 3.32 -1.98 0.13 116.42 118.99 3fg4 h ASP 646 Ca -0.02 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 3fg4 h ASP 646 Cb 0.47 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.97 3fg4 h ASP 646 CO 0.04 0.22 -1.00 -0.33 -1.72 0.00 0.00 179.24 176.45 3fg4 h GLU 647 N 0.39 0.57 -0.26 3.56 5.08 -1.90 -2.53 114.58 119.48 3fg4 h GLU 647 Ca 0.24 -0.61 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 3fg4 h GLU 647 Cb 0.43 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3fg4 h GLU 647 CO -0.06 1.23 -0.30 0.93 -1.00 0.00 0.00 179.01 179.80 3fg4 h GLU 648 N 0.32 0.53 -0.08 2.33 4.39 -0.16 0.03 114.58 121.93 3fg4 h GLU 648 Ca -0.11 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.39 3fg4 h GLU 648 Cb 1.65 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 30.25 3fg4 h GLU 648 CO 0.19 0.78 -0.09 0.82 -1.16 0.00 0.00 179.01 179.54 3fg4 h ILE 649 N 0.46 0.74 -0.48 3.13 2.04 -1.01 -0.69 117.51 121.70 3fg4 h ILE 649 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3fg4 h ILE 649 Cb 0.76 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3fg4 h ILE 649 CO 0.06 0.00 0.19 0.11 0.00 0.00 0.00 178.15 178.51 3fg4 h LYS 650 N -0.12 0.70 -0.00 2.37 6.56 -1.30 -2.43 116.57 122.35 3fg4 h LYS 650 Ca 0.06 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 3fg4 h LYS 650 Cb 0.21 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 3fg4 h LYS 650 CO -0.16 0.58 -0.03 -3.47 -2.06 0.00 0.00 179.45 174.32 3fg4 n ASP 651 N -4.35 0.12 -0.92 0.86 2.03 -0.02 -4.94 116.55 109.34 3fg4 n ASP 651 Ca 0.04 -0.39 -0.03 0.00 0.52 0.00 0.00 54.79 54.93 3fg4 n ASP 651 Cb 0.16 -0.19 0.01 0.00 -0.72 0.00 0.00 41.12 40.38 3fg4 n ASP 651 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fg4 n GLY 652 N 1.24 0.75 0.20 0.27 0.00 -0.32 -4.94 105.19 102.39 3fg4 n GLY 652 Ca 0.16 -0.55 0.05 0.00 0.00 0.00 0.00 46.02 45.67 3fg4 n GLY 652 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fg4 n HIS 653 N -2.79 0.16 -4.43 1.61 8.25 -0.88 -4.71 115.22 112.44 3fg4 n HIS 653 Ca 0.00 -0.68 -0.30 0.00 -0.26 0.00 0.00 57.72 56.48 3fg4 n HIS 653 Cb 0.51 -0.10 -0.17 0.00 1.12 0.00 0.00 29.99 31.35 3fg4 n HIS 653 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3fg4 s ILE 654 N -1.72 1.72 0.10 1.59 -1.09 -1.26 -1.04 121.20 119.50 3fg4 s ILE 654 Ca 0.17 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 57.88 3fg4 s ILE 654 Cb 0.13 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 39.42 3fg4 s ILE 654 CO 0.04 0.48 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.77 3fg4 s TYR 655 N 1.04 1.44 0.06 3.97 1.51 -0.56 0.18 117.35 124.98 3fg4 s TYR 655 Ca -0.04 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3fg4 s TYR 655 Cb -0.15 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 3fg4 s TYR 655 CO -0.04 0.13 -0.06 -1.50 -1.11 0.00 0.00 175.55 172.97 3fg4 s ILE 656 N -1.53 0.51 -0.03 2.71 2.07 0.13 -0.56 121.20 124.50 3fg4 s ILE 656 Ca 0.04 -1.43 0.06 0.00 -1.41 0.00 0.00 60.65 57.91 3fg4 s ILE 656 Cb -0.08 -1.03 -0.01 0.00 0.13 0.00 0.00 42.46 41.46 3fg4 s ILE 656 CO 0.03 -0.63 -0.21 0.68 -1.91 0.00 0.00 174.94 172.90 3fg4 s VAL 657 N -2.43 1.66 -0.24 4.00 -7.23 -0.86 -1.08 120.40 114.21 3fg4 s VAL 657 Ca -0.01 -0.88 -0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3fg4 s VAL 657 Cb -0.03 -1.39 0.07 0.00 0.56 0.00 0.00 36.38 35.58 3fg4 s VAL 657 CO -0.03 0.47 -0.01 -0.62 -0.31 0.00 0.00 175.10 174.60 3fg4 s ASP 658 N -0.30 3.71 -0.19 4.85 -1.08 -1.26 -2.33 116.67 120.07 3fg4 s ASP 658 Ca 0.03 -1.20 0.05 0.00 -0.52 0.00 0.00 52.55 50.91 3fg4 s ASP 658 Cb -0.10 -1.03 0.40 0.00 -1.46 0.00 0.00 42.92 40.73 3fg4 s ASP 658 CO 0.01 -0.28 1.34 0.49 0.52 0.00 0.00 175.17 177.25 3fg4 n PHE 659 N 4.76 1.40 -0.29 -5.34 3.01 -0.50 -4.57 117.46 115.94 3fg4 n PHE 659 Ca -0.09 -0.82 0.10 0.00 1.01 0.00 0.00 57.45 57.65 3fg4 n PHE 659 Cb 0.44 -0.48 0.20 0.00 -0.01 0.00 0.00 39.48 39.64 3fg4 n PHE 659 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3fg4 n LYS 660 N -0.03 -0.07 -0.41 -1.08 4.81 -1.26 -0.84 118.16 119.28 3fg4 n LYS 660 Ca 0.24 1.25 0.35 0.00 -0.87 0.00 0.00 58.31 59.28 3fg4 n LYS 660 Cb 0.95 -1.95 0.66 0.00 0.02 0.00 0.00 35.03 34.71 3fg4 n LYS 660 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 3fg4 h VAL 661 N 0.00 0.30 0.00 3.15 3.04 -1.96 0.31 116.25 121.08 3fg4 h VAL 661 Ca 0.47 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.11 3fg4 h VAL 661 Cb 0.90 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 30.32 3fg4 h VAL 661 CO -0.80 0.03 0.00 0.18 -1.01 0.00 0.00 177.57 175.96 3fg4 n LEU 662 N -4.44 0.00 -4.74 3.16 4.77 -0.02 -4.81 117.00 110.92 3fg4 n LEU 662 Ca 0.32 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 3fg4 n LEU 662 Cb 1.30 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 42.26 3fg4 n LEU 662 CO 0.30 -0.03 1.18 -0.69 -1.33 0.00 0.00 177.39 176.83 3fg4 s VAL 663 N -2.22 2.51 0.00 4.08 1.01 0.11 -1.88 120.40 124.01 3fg4 s VAL 663 Ca 0.31 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3fg4 s VAL 663 Cb 0.16 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3fg4 s VAL 663 CO 0.31 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.07 3fg4 n GLY 664 N 2.80 0.81 3.77 4.51 0.00 -0.10 -5.02 105.19 111.96 3fg4 n GLY 664 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3fg4 n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg4 s ALA 665 N -2.48 3.14 -0.29 4.61 0.00 -0.79 -4.38 121.76 121.57 3fg4 s ALA 665 Ca 0.00 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.83 3fg4 s ALA 665 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 3fg4 s ALA 665 CO 0.00 -0.52 0.12 0.21 0.00 0.00 0.00 175.76 175.57 3fg4 s LYS 666 N -2.33 3.48 0.25 0.00 2.47 -1.26 -1.66 119.74 120.68 3fg4 s LYS 666 Ca 0.57 -0.61 -0.07 0.00 -1.56 0.00 0.00 55.97 54.30 3fg4 s LYS 666 Cb -0.30 -3.48 -0.06 0.00 -1.46 0.00 0.00 37.83 32.52 3fg4 s LYS 666 CO 0.38 -0.32 0.54 -1.12 0.16 0.00 0.00 175.35 174.98 3fg4 s SER 667 N 1.62 6.53 0.21 1.43 0.01 0.13 -3.89 113.70 119.74 3fg4 s SER 667 Ca 0.05 0.80 -0.30 0.00 1.31 0.00 0.00 55.95 57.81 3fg4 s SER 667 Cb -0.16 -2.18 -0.16 0.00 0.21 0.00 0.00 66.02 63.73 3fg4 s SER 667 CO 0.06 -0.12 0.91 0.00 0.41 0.00 0.00 173.24 174.49 3fg4 n TYR 668 N -0.49 0.71 0.00 2.43 9.36 -0.83 -1.90 117.16 126.45 3fg4 n TYR 668 Ca -0.01 0.80 0.00 0.00 3.32 0.00 0.00 57.90 62.01 3fg4 n TYR 668 Cb 0.53 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 3fg4 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg4 n GLY 669 N 1.69 2.19 0.00 2.98 0.00 -1.25 -1.70 105.19 109.10 3fg4 n GLY 669 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3fg4 n GLY 669 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 670 N -2.00 1.66 3.69 -0.02 0.00 -0.80 -4.95 105.19 102.76 3fg4 n GLY 670 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3fg4 n GLY 670 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fg4 n PRO 671 N 0.00 2.53 -3.88 1.61 -0.02 -1.24 -4.79 135.00 129.20 3fg4 n PRO 671 Ca 0.00 0.92 -0.36 0.00 -2.02 0.00 0.00 63.50 62.04 3fg4 n PRO 671 Cb 0.00 -2.77 -0.12 0.00 -0.02 0.00 0.00 33.50 30.59 3fg4 n PRO 671 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3fg4 s VAL 672 N 2.26 4.33 0.28 -1.45 1.01 -1.26 -0.69 120.40 124.87 3fg4 s VAL 672 Ca 0.82 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 3fg4 s VAL 672 Cb -0.57 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3fg4 s VAL 672 CO 0.39 0.38 1.03 -0.22 0.00 0.00 0.00 175.10 176.68 3fg4 s LEU 673 N 1.24 4.53 0.42 3.92 2.96 -0.67 -4.84 118.68 126.25 3fg4 s LEU 673 Ca 0.04 2.10 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 3fg4 s LEU 673 Cb -0.14 -3.70 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 3fg4 s LEU 673 CO 0.03 -0.06 0.19 -1.83 -1.32 0.00 0.00 176.35 173.36 3fg4 s GLU 674 N -1.49 2.22 0.55 1.98 -1.05 -0.36 -0.92 118.70 119.64 3fg4 s GLU 674 Ca 0.45 -1.88 0.27 0.00 -0.15 0.00 0.00 54.97 53.66 3fg4 s GLU 674 Cb -0.28 -1.97 1.46 0.00 -0.44 0.00 0.00 34.13 32.91 3fg4 s GLU 674 CO 0.35 -0.16 1.99 -0.44 0.95 0.00 0.00 175.26 177.96 3fg4 h ASP 675 N 1.38 0.00 0.03 0.83 5.19 -1.98 -3.15 116.42 118.73 3fg4 h ASP 675 Ca -0.42 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.64 3fg4 h ASP 675 Cb 1.26 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.70 3fg4 h ASP 675 CO 0.70 0.00 -2.32 2.30 -3.12 0.00 0.00 179.24 176.79 3fg4 n ILE 676 N -4.13 1.31 0.00 0.35 -5.35 -1.26 0.15 119.36 110.42 3fg4 n ILE 676 Ca 0.08 -0.83 0.00 0.00 -0.27 0.00 0.00 62.75 61.73 3fg4 n ILE 676 Cb 0.58 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 3fg4 n ILE 676 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fg4 n GLY 677 N 1.71 0.09 0.00 3.28 0.00 -1.19 -4.89 105.19 104.18 3fg4 n GLY 677 Ca -0.30 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3fg4 n GLY 677 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fg4 n TYR 678 N 0.00 0.00 -2.58 1.61 4.02 -1.26 -1.22 117.16 117.73 3fg4 n TYR 678 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 3fg4 n TYR 678 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 3fg4 n TYR 678 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fg4 n ALA 689 N -3.00 -3.55 -2.76 -0.72 0.00 -1.26 -5.05 120.51 104.18 3fg4 n ALA 689 Ca 0.00 2.30 -0.42 0.00 0.00 0.00 0.00 53.44 55.31 3fg4 n ALA 689 Cb 0.00 -4.54 -0.03 0.00 0.00 0.00 0.00 19.45 14.88 3fg4 n ALA 689 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3fg4 s ASP 690 N -0.66 6.46 -0.08 0.00 3.68 -1.26 -4.95 116.67 119.87 3fg4 s ASP 690 Ca -0.27 -1.51 -0.01 0.00 2.13 0.00 0.00 52.55 52.88 3fg4 s ASP 690 Cb 0.02 -2.48 0.03 0.00 -1.45 0.00 0.00 42.92 39.04 3fg4 s ASP 690 CO 0.72 -1.35 -0.00 -0.63 0.13 0.00 0.00 175.17 174.04 3fg4 s ILE 691 N 3.98 0.42 0.27 4.11 1.01 -1.26 -3.84 121.20 125.89 3fg4 s ILE 691 Ca 0.36 0.09 0.10 0.00 0.00 0.00 0.00 60.65 61.19 3fg4 s ILE 691 Cb -0.06 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.80 3fg4 s ILE 691 CO -0.04 0.26 -0.00 -0.13 0.00 0.00 0.00 174.94 175.03 3fg4 s ARG 692 N 1.96 2.29 0.02 2.79 0.52 -0.69 -4.62 118.95 121.22 3fg4 s ARG 692 Ca 0.05 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.80 3fg4 s ARG 692 Cb -0.12 -2.16 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 3fg4 s ARG 692 CO -0.05 0.35 0.05 0.71 0.02 0.00 0.00 175.30 176.38 3fg4 s TYR 693 N -2.33 0.17 0.00 -0.53 1.51 -0.59 -4.58 117.35 111.00 3fg4 s TYR 693 Ca 0.32 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 3fg4 s TYR 693 Cb -0.06 -0.13 0.00 0.00 -0.11 0.00 0.00 41.96 41.65 3fg4 s TYR 693 CO 0.20 -0.25 0.00 0.00 -1.11 0.00 0.00 175.55 174.39 3fg4 s ALA 695 N -2.00 -1.13 -0.58 0.00 0.00 -1.26 -4.93 121.76 111.85 3fg4 s ALA 695 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 51.71 3fg4 s ALA 695 Cb 0.00 0.88 0.25 0.00 0.00 0.00 0.00 23.12 24.24 3fg4 s ALA 695 CO 0.00 -0.99 0.69 0.00 0.00 0.00 0.00 175.76 175.45 3fg4 n ALA 696 N -0.44 3.67 -1.89 0.00 0.00 -1.22 -4.69 120.51 115.93 3fg4 n ALA 696 Ca -0.05 -4.44 -0.31 0.00 0.00 0.00 0.00 53.44 48.65 3fg4 n ALA 696 Cb 0.60 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 19.19 3fg4 n ALA 696 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 697 N -2.14 3.35 0.11 0.00 0.05 -0.89 -3.02 135.00 132.45 3fg4 s PRO 697 Ca 0.38 0.63 0.08 0.00 0.05 0.00 0.00 61.00 62.15 3fg4 s PRO 697 Cb 0.15 -2.07 -0.04 0.00 0.05 0.00 0.00 34.50 32.59 3fg4 s PRO 697 CO -0.04 -0.71 -0.17 -0.51 0.05 0.00 0.00 177.00 175.63 3fg4 s LEU 698 N -5.22 2.74 -0.01 -3.56 1.02 -0.15 -1.40 118.68 112.10 3fg4 s LEU 698 Ca 0.56 -0.52 -0.07 0.00 0.02 0.00 0.00 54.13 54.12 3fg4 s LEU 698 Cb -0.11 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.52 3fg4 s LEU 698 CO 0.53 0.19 0.14 0.00 0.02 0.00 0.00 176.35 177.23 3fg4 s ALA 699 N -1.13 -0.34 0.03 4.21 0.00 -0.98 -0.24 121.76 123.31 3fg4 s ALA 699 Ca 0.18 -0.03 0.09 0.00 0.00 0.00 0.00 51.96 52.20 3fg4 s ALA 699 Cb -0.11 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 3fg4 s ALA 699 CO 0.10 -0.19 -0.26 -1.17 0.00 0.00 0.00 175.76 174.25 3fg4 s LEU 700 N -1.13 2.17 0.10 0.00 2.96 0.32 -2.03 118.68 121.07 3fg4 s LEU 700 Ca -0.12 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.29 3fg4 s LEU 700 Cb -0.06 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3fg4 s LEU 700 CO 0.01 0.27 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.80 3fg4 s PHE 701 N -0.78 1.41 -0.07 5.38 0.40 0.28 -0.10 117.98 124.49 3fg4 s PHE 701 Ca 0.12 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 3fg4 s PHE 701 Cb -0.10 -0.76 0.02 0.00 0.51 0.00 0.00 43.02 42.68 3fg4 s PHE 701 CO 0.02 0.12 -0.09 -0.47 0.70 0.00 0.00 175.22 175.50 3fg4 s TYR 702 N -1.57 1.25 -0.51 0.36 5.04 0.48 -1.50 117.35 120.90 3fg4 s TYR 702 Ca 0.04 -0.49 -0.27 0.00 -2.44 0.00 0.00 57.07 53.91 3fg4 s TYR 702 Cb -0.08 -1.00 0.03 0.00 0.35 0.00 0.00 41.96 41.26 3fg4 s TYR 702 CO 0.03 -0.31 1.06 0.08 -1.34 0.00 0.00 175.55 175.06 3fg4 s VAL 703 N 1.02 4.27 0.98 3.14 1.01 -0.21 -0.35 120.40 130.27 3fg4 s VAL 703 Ca -0.08 0.83 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 3fg4 s VAL 703 Cb -0.15 -4.58 0.20 0.00 0.00 0.00 0.00 36.38 31.86 3fg4 s VAL 703 CO -0.00 -1.07 1.27 0.54 0.00 0.00 0.00 175.10 175.84 3fg4 s ASN 704 N 2.60 2.91 0.48 3.32 2.20 -0.79 -4.83 114.94 120.83 3fg4 s ASN 704 Ca 0.40 0.38 0.15 0.00 -0.94 0.00 0.00 52.86 52.86 3fg4 s ASN 704 Cb -0.09 -0.51 1.16 0.00 -2.00 0.00 0.00 41.25 39.81 3fg4 s ASN 704 CO 0.26 -2.87 2.07 0.07 -2.94 0.00 0.00 177.10 173.69 3fg4 h LYS 705 N -1.73 0.19 0.00 3.55 5.09 -1.91 0.76 116.57 122.52 3fg4 h LYS 705 Ca -0.45 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.28 3fg4 h LYS 705 Cb 1.25 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3fg4 h LYS 705 CO 0.40 0.13 0.00 -0.07 -2.09 0.00 0.00 179.45 177.82 3fg4 h LEU 706 N 0.20 0.00 0.00 7.07 4.07 -1.98 -3.47 115.31 121.20 3fg4 h LEU 706 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3fg4 h LEU 706 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 3fg4 h LEU 706 CO -0.02 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.95 3fg4 n GLY 707 N 1.08 1.14 3.67 0.83 0.00 0.26 -5.08 105.19 107.09 3fg4 n GLY 707 Ca 0.05 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 3fg4 n GLY 707 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 708 N -2.00 3.32 -0.45 1.61 3.76 -1.26 -4.66 115.29 115.62 3fg4 s HIS 708 Ca 0.00 0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.81 3fg4 s HIS 708 Cb 0.00 -2.14 0.02 0.00 1.11 0.00 0.00 32.58 31.57 3fg4 s HIS 708 CO 0.00 0.19 1.31 -1.17 -0.85 0.00 0.00 174.74 174.22 3fg4 s LEU 709 N 0.47 3.59 -0.13 0.89 2.96 -1.26 -1.89 118.68 123.30 3fg4 s LEU 709 Ca 0.06 0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 54.54 3fg4 s LEU 709 Cb -0.12 -3.51 -0.04 0.00 0.50 0.00 0.00 46.19 43.02 3fg4 s LEU 709 CO -0.00 -1.39 0.11 -0.04 -1.32 0.00 0.00 176.35 173.71 3fg4 s MET 710 N 4.80 3.56 -0.04 1.98 -1.94 0.53 -4.01 119.30 124.19 3fg4 s MET 710 Ca 0.55 -0.20 -0.30 0.00 -1.71 0.00 0.00 55.69 54.04 3fg4 s MET 710 Cb -0.11 -3.18 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 3fg4 s MET 710 CO 0.32 0.64 1.38 -1.25 -0.01 0.00 0.00 175.02 176.11 3fg4 s PRO 711 N -0.65 4.27 0.00 2.03 0.04 -1.26 -0.39 135.00 139.04 3fg4 s PRO 711 Ca 0.13 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3fg4 s PRO 711 Cb -0.12 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3fg4 s PRO 711 CO 0.02 -0.61 0.00 0.44 0.04 0.00 0.00 177.00 176.90 3fg4 n ILE 712 N 4.84 0.00 -3.68 0.56 -5.35 0.85 -4.65 119.36 111.94 3fg4 n ILE 712 Ca 0.13 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.48 3fg4 n ILE 712 Cb 0.44 0.36 -0.09 0.00 -1.74 0.00 0.00 39.64 38.62 3fg4 n ILE 712 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fg4 s ALA 713 N -1.96 -1.30 -0.02 -1.28 0.00 -1.04 -4.36 121.76 111.80 3fg4 s ALA 713 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3fg4 s ALA 713 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3fg4 s ALA 713 CO 0.00 -0.26 -0.02 0.42 0.00 0.00 0.00 175.76 175.90 3fg4 s ILE 714 N 0.02 0.26 -0.14 0.00 1.01 -0.40 0.12 121.20 122.07 3fg4 s ILE 714 Ca -0.02 -0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3fg4 s ILE 714 Cb -0.04 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.16 3fg4 s ILE 714 CO 0.02 0.12 -0.20 -1.58 0.00 0.00 0.00 174.94 173.30 3fg4 s GLN 715 N 0.51 2.78 0.28 2.79 0.74 0.67 -0.45 119.66 126.96 3fg4 s GLN 715 Ca -0.05 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.61 3fg4 s GLN 715 Cb -0.08 -2.30 0.40 0.00 1.10 0.00 0.00 33.01 32.13 3fg4 s GLN 715 CO -0.01 -0.07 1.73 0.82 -0.55 0.00 0.00 175.29 177.22 3fg4 h ILE 716 N 5.89 1.26 -4.10 -2.34 2.04 -1.81 -0.37 117.51 118.06 3fg4 h ILE 716 Ca -0.34 -1.19 -0.36 0.00 1.00 0.00 0.00 64.86 63.97 3fg4 h ILE 716 Cb 1.18 1.23 -0.14 0.00 -0.74 0.00 0.00 36.82 38.35 3fg4 h ILE 716 CO 0.55 0.39 -0.59 0.20 0.00 0.00 0.00 178.15 178.70 3fg4 s ASN 717 N -6.78 1.11 0.18 1.72 0.01 -1.26 -2.10 114.94 107.82 3fg4 s ASN 717 Ca -0.07 -1.48 -0.02 0.00 -0.71 0.00 0.00 52.86 50.58 3fg4 s ASN 717 Cb 0.14 0.33 0.09 0.00 0.41 0.00 0.00 41.25 42.22 3fg4 s ASN 717 CO 0.79 -0.84 1.47 1.56 -1.51 0.00 0.00 177.10 178.57 3fg4 h GLN 718 N 2.36 0.47 -4.79 -0.60 1.08 -1.20 -3.43 115.11 109.00 3fg4 h GLN 718 Ca -0.35 -0.34 -0.70 0.00 -1.45 0.00 0.00 58.65 55.81 3fg4 h GLN 718 Cb 1.25 0.06 -0.19 0.00 -0.05 0.00 0.00 27.48 28.54 3fg4 h GLN 718 CO 0.54 0.96 -0.17 -2.00 -0.95 0.00 0.00 178.83 177.21 3fg4 s GLU 719 N -3.80 3.08 0.53 1.46 2.56 0.12 -4.78 118.70 117.88 3fg4 s GLU 719 Ca -0.06 -0.89 -0.21 0.00 0.00 0.00 0.00 54.97 53.81 3fg4 s GLU 719 Cb 0.11 -4.03 -0.06 0.00 2.00 0.00 0.00 34.13 32.15 3fg4 s GLU 719 CO 0.84 -0.97 1.17 -1.25 -0.56 0.00 0.00 175.26 174.50 3fg4 s PRO 720 N 2.17 3.39 0.07 4.30 0.04 -1.24 -4.80 135.00 138.93 3fg4 s PRO 720 Ca 0.11 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.66 3fg4 s PRO 720 Cb -0.19 -2.14 0.08 0.00 0.04 0.00 0.00 34.50 32.30 3fg4 s PRO 720 CO 0.12 -0.85 1.15 0.41 0.04 0.00 0.00 177.00 177.88 3fg4 n GLY 721 N 0.36 0.39 0.17 0.56 0.00 -1.22 -4.98 105.19 100.47 3fg4 n GLY 721 Ca 0.11 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.16 3fg4 n GLY 721 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fg4 h PRO 722 N 0.00 0.00 -0.33 1.61 0.11 -1.94 -3.18 132.00 128.27 3fg4 h PRO 722 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3fg4 h PRO 722 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3fg4 h PRO 722 CO 0.33 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.51 3fg4 n GLU 723 N -2.86 1.65 -2.74 1.05 1.02 -1.26 -4.39 120.64 113.11 3fg4 n GLU 723 Ca 0.03 -0.87 -0.08 0.00 -0.02 0.00 0.00 57.16 56.22 3fg4 n GLU 723 Cb 0.52 -1.26 0.07 0.00 -0.02 0.00 0.00 31.44 30.74 3fg4 n GLU 723 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3fg4 n ASN 724 N 0.19 -2.66 -2.05 1.62 5.15 -1.20 -4.53 115.26 111.77 3fg4 n ASN 724 Ca 0.08 -3.48 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 3fg4 n ASN 724 Cb 0.25 1.88 0.00 0.00 -0.53 0.00 0.00 39.78 41.38 3fg4 n ASN 724 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fg4 n PRO 725 N 1.09 0.28 -3.72 1.20 -0.04 -1.23 -3.46 135.00 129.12 3fg4 n PRO 725 Ca 0.08 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.18 3fg4 n PRO 725 Cb 0.66 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.03 3fg4 n PRO 725 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg4 s ILE 726 N -0.58 5.31 -0.04 0.52 -1.09 -1.26 -4.41 121.20 119.64 3fg4 s ILE 726 Ca 0.00 0.16 0.01 0.00 -2.23 0.00 0.00 60.65 58.59 3fg4 s ILE 726 Cb 0.00 -3.45 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 3fg4 s ILE 726 CO 0.00 0.39 -0.04 0.26 -1.23 0.00 0.00 174.94 174.33 3fg4 s TRP 727 N 0.74 3.01 0.21 3.97 0.52 0.40 -4.94 118.94 122.85 3fg4 s TRP 727 Ca 0.07 0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.28 3fg4 s TRP 727 Cb -0.12 -1.70 -0.05 0.00 -1.15 0.00 0.00 33.47 30.45 3fg4 s TRP 727 CO 0.02 0.40 0.01 0.95 0.02 0.00 0.00 176.95 178.35 3fg4 s THR 728 N -0.93 0.81 0.32 2.01 -4.23 -1.26 -1.28 115.64 111.08 3fg4 s THR 728 Ca 0.15 -2.01 0.30 0.00 -1.18 0.00 0.00 61.69 58.96 3fg4 s THR 728 Cb -0.11 -2.28 0.30 0.00 1.34 0.00 0.00 72.50 71.75 3fg4 s THR 728 CO 0.05 -0.35 1.92 1.55 -0.54 0.00 0.00 174.62 177.25 3fg4 h PRO 729 N 2.56 0.00 -0.80 3.99 0.13 -1.83 -1.85 132.00 134.21 3fg4 h PRO 729 Ca -0.38 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.56 3fg4 h PRO 729 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 3fg4 h PRO 729 CO 0.63 0.00 0.25 0.72 -0.23 0.00 0.00 178.00 179.37 3fg4 n HIS 730 N -2.65 2.17 -1.49 1.56 8.25 -1.26 -4.95 115.22 116.84 3fg4 n HIS 730 Ca -0.02 -1.08 -0.41 0.00 -0.26 0.00 0.00 57.72 55.95 3fg4 n HIS 730 Cb 0.16 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 30.66 3fg4 n HIS 730 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3fg4 n GLU 731 N -0.10 0.72 0.06 -0.41 -0.58 -0.70 -4.92 120.64 114.71 3fg4 n GLU 731 Ca 0.36 0.27 -0.18 0.00 -0.42 0.00 0.00 57.16 57.18 3fg4 n GLU 731 Cb 1.26 -1.67 -0.09 0.00 -0.57 0.00 0.00 31.44 30.37 3fg4 n GLU 731 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 3fg4 h GLU 732 N 0.83 0.60 -5.69 3.49 4.11 -1.92 -3.37 114.58 112.63 3fg4 h GLU 732 Ca -0.42 -0.67 -0.61 0.00 0.07 0.00 0.00 59.36 57.72 3fg4 h GLU 732 Cb 1.39 0.20 -0.13 0.00 0.50 0.00 0.00 28.75 30.70 3fg4 h GLU 732 CO 0.52 1.27 0.63 1.21 0.07 0.00 0.00 179.01 182.71 3fg4 s ASN 733 N -7.25 6.21 0.53 3.06 3.84 -1.26 -4.94 114.94 115.13 3fg4 s ASN 733 Ca -0.08 -0.76 0.26 0.00 0.21 0.00 0.00 52.86 52.49 3fg4 s ASN 733 Cb 0.07 -2.45 1.40 0.00 -0.55 0.00 0.00 41.25 39.73 3fg4 s ASN 733 CO 0.91 -1.46 1.97 1.05 -2.79 0.00 0.00 177.10 176.78 3fg4 h GLU 734 N 9.59 0.01 0.00 0.43 4.11 -1.95 -0.70 114.58 126.08 3fg4 h GLU 734 Ca -0.28 -0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 3fg4 h GLU 734 Cb 1.07 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3fg4 h GLU 734 CO 1.18 0.01 -0.33 0.45 0.07 0.00 0.00 179.01 180.39 3fg4 h HIS 735 N 0.01 0.00 -0.55 2.06 3.86 -1.92 -2.51 115.15 116.11 3fg4 h HIS 735 Ca 0.29 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 3fg4 h HIS 735 Cb 1.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.61 3fg4 h HIS 735 CO -0.00 0.33 0.00 -0.44 0.86 0.00 0.00 177.93 178.68 3fg4 h ASP 736 N 0.00 0.95 -0.06 2.45 3.32 -1.38 -0.51 116.42 121.19 3fg4 h ASP 736 Ca -0.00 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 3fg4 h ASP 736 Cb 0.75 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3fg4 h ASP 736 CO 0.04 1.03 -0.04 -0.25 -1.72 0.00 0.00 179.24 178.30 3fg4 h TRP 737 N 0.85 0.15 -0.33 4.55 -0.00 -1.59 -2.47 115.95 117.12 3fg4 h TRP 737 Ca 0.16 -0.04 0.07 0.00 -0.00 0.00 0.00 58.89 59.08 3fg4 h TRP 737 Cb 0.54 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 29.58 3fg4 h TRP 737 CO 0.04 0.55 -0.23 1.98 -0.00 0.00 0.00 178.44 180.78 3fg4 h MET 738 N -0.29 -0.18 -0.95 2.65 4.05 -1.40 -0.54 114.93 118.26 3fg4 h MET 738 Ca 0.01 0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.58 3fg4 h MET 738 Cb 0.52 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.27 3fg4 h MET 738 CO 0.01 -0.12 0.57 1.98 0.23 0.00 0.00 176.91 179.58 3fg4 h MET 739 N -0.19 0.82 -0.41 0.39 1.85 -1.14 -0.69 114.93 115.55 3fg4 h MET 739 Ca 0.17 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 59.12 3fg4 h MET 739 Cb 0.45 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 32.28 3fg4 h MET 739 CO -0.44 0.54 -0.08 0.00 -0.40 0.00 0.00 176.91 176.53 3fg4 h ALA 740 N 1.55 1.08 -0.54 0.39 0.00 -0.86 -0.32 119.26 120.56 3fg4 h ALA 740 Ca 0.50 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3fg4 h ALA 740 Cb 0.59 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3fg4 h ALA 740 CO -0.31 0.57 0.07 0.87 0.00 0.00 0.00 179.25 180.46 3fg4 h LYS 741 N 0.66 0.87 -0.29 0.00 1.57 0.29 -2.56 116.57 117.11 3fg4 h LYS 741 Ca 0.12 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3fg4 h LYS 741 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3fg4 h LYS 741 CO 0.03 0.82 0.00 0.74 -0.57 0.00 0.00 179.45 180.48 3fg4 h PHE 742 N 0.82 0.56 -0.76 -1.35 0.05 -0.57 -0.74 116.94 114.95 3fg4 h PHE 742 Ca 0.17 -0.10 0.02 0.00 3.82 0.00 0.00 57.97 61.88 3fg4 h PHE 742 Cb 0.39 -0.15 -0.04 0.00 2.00 0.00 0.00 35.95 38.15 3fg4 h PHE 742 CO 0.02 0.65 0.50 -1.49 -0.18 0.00 0.00 178.31 177.82 3fg4 h TRP 743 N 0.31 0.93 -0.30 -0.55 4.06 -1.06 0.27 115.95 119.60 3fg4 h TRP 743 Ca 0.08 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 3fg4 h TRP 743 Cb 0.43 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3fg4 h TRP 743 CO 0.04 0.56 -0.26 1.25 -3.56 0.00 0.00 178.44 176.47 3fg4 h LEU 744 N 0.98 0.75 -0.43 -4.49 5.85 -1.31 -2.91 115.31 113.75 3fg4 h LEU 744 Ca 0.29 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 3fg4 h LEU 744 Cb -0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 3fg4 h LEU 744 CO -0.07 1.05 0.27 1.23 -0.34 0.00 0.00 178.44 180.57 3fg4 h GLY 745 N 0.46 0.61 2.00 3.75 0.00 -0.39 -1.55 103.07 107.95 3fg4 h GLY 745 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3fg4 h GLY 745 CO 0.07 0.24 -0.03 -0.24 0.00 0.00 0.00 176.54 176.58 3fg4 h VAL 746 N 0.57 0.30 0.13 4.60 3.04 -0.46 0.24 116.25 124.67 3fg4 h VAL 746 Ca 0.15 -0.16 -0.22 0.00 -1.01 0.00 0.00 66.70 65.46 3fg4 h VAL 746 Cb -0.02 1.12 0.01 0.00 -2.01 0.00 0.00 31.29 30.38 3fg4 h VAL 746 CO -0.03 0.03 -1.06 0.00 -1.01 0.00 0.00 177.57 175.49 3fg4 h ALA 747 N 1.97 0.02 -0.72 3.17 0.00 -1.29 -3.02 119.26 119.39 3fg4 h ALA 747 Ca -0.00 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 3fg4 h ALA 747 Cb 0.12 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3fg4 h ALA 747 CO 0.00 0.56 0.43 1.49 0.00 0.00 0.00 179.25 181.73 3fg4 h GLU 748 N -0.35 0.97 0.03 0.00 4.81 -0.59 -1.34 114.58 118.12 3fg4 h GLU 748 Ca -0.21 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3fg4 h GLU 748 Cb 1.69 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.86 3fg4 h GLU 748 CO 0.11 0.69 -0.02 0.77 -0.73 0.00 0.00 179.01 179.83 3fg4 h SER 749 N 0.99 -0.04 -0.25 1.04 0.02 -0.62 0.56 113.55 115.26 3fg4 h SER 749 Ca 0.26 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3fg4 h SER 749 Cb -0.03 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3fg4 h SER 749 CO -0.05 0.15 0.01 0.78 -1.14 0.00 0.00 176.83 176.58 3fg4 h ASN 750 N -0.22 0.42 -0.27 3.07 4.21 -1.44 -1.73 115.58 119.61 3fg4 h ASN 750 Ca -0.00 -0.30 0.06 0.00 1.21 0.00 0.00 56.30 57.27 3fg4 h ASN 750 Cb 0.20 -0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 37.23 3fg4 h ASN 750 CO 0.01 0.61 -0.15 0.15 -1.29 0.00 0.00 177.43 176.76 3fg4 h PHE 751 N 0.21 -0.37 0.20 1.19 3.57 -1.12 -2.51 116.94 118.11 3fg4 h PHE 751 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3fg4 h PHE 751 Cb 0.39 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3fg4 h PHE 751 CO 0.03 -0.22 -0.10 1.25 -2.23 0.00 0.00 178.31 177.04 3fg4 h HIS 752 N -0.12 -0.25 -0.09 0.41 2.76 0.39 0.40 115.15 118.65 3fg4 h HIS 752 Ca 0.14 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 3fg4 h HIS 752 Cb 0.34 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3fg4 h HIS 752 CO -0.33 -0.11 -0.50 1.96 -1.30 0.00 0.00 177.93 177.64 3fg4 h GLN 753 N -0.33 0.23 0.02 5.26 1.08 -1.32 -1.04 115.11 119.01 3fg4 h GLN 753 Ca -0.03 -0.13 -0.39 0.00 -1.45 0.00 0.00 58.65 56.65 3fg4 h GLN 753 Cb 0.25 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.64 3fg4 h GLN 753 CO 0.05 0.68 -2.29 1.28 -0.95 0.00 0.00 178.83 177.59 3fg4 n LEU 754 N -3.95 2.56 -0.06 1.46 4.77 -0.95 -2.22 117.00 118.61 3fg4 n LEU 754 Ca -0.02 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 56.02 3fg4 n LEU 754 Cb 0.54 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3fg4 n LEU 754 CO 0.43 0.77 -0.22 -1.13 -1.33 0.00 0.00 177.39 175.92 3fg4 h ASN 755 N -0.32 0.00 -0.47 -1.43 -1.24 -1.06 -1.09 115.58 109.97 3fg4 h ASN 755 Ca -0.56 -0.04 -0.08 0.00 0.71 0.00 0.00 56.30 56.33 3fg4 h ASN 755 Cb 1.80 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.83 3fg4 h ASN 755 CO -0.15 0.69 -0.01 0.74 -1.29 0.00 0.00 177.43 177.41 3fg4 h THR 756 N -1.00 1.25 0.00 -3.57 2.02 -1.22 -0.33 112.91 110.06 3fg4 h THR 756 Ca -0.01 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.08 3fg4 h THR 756 Cb 0.36 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3fg4 h THR 756 CO -0.01 0.39 0.00 1.57 0.37 0.00 0.00 175.52 177.84 3fg4 n HIS 757 N -4.19 0.00 0.28 3.16 -0.00 -0.42 -3.89 115.22 110.15 3fg4 n HIS 757 Ca 0.03 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.58 3fg4 n HIS 757 Cb 0.33 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.22 3fg4 n HIS 757 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3fg4 h LEU 758 N 0.00 -0.86 0.57 0.27 5.85 -1.55 -1.74 115.31 117.85 3fg4 h LEU 758 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3fg4 h LEU 758 Cb 0.00 0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.30 3fg4 h LEU 758 CO 0.00 -0.51 -0.27 0.25 -0.34 0.00 0.00 178.44 177.57 3fg4 h LEU 759 N -0.79 -0.64 0.00 2.25 5.85 -1.24 0.12 115.31 120.86 3fg4 h LEU 759 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fg4 h LEU 759 Cb 0.66 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3fg4 h LEU 759 CO 0.02 -0.24 0.00 0.54 -0.34 0.00 0.00 178.44 178.42 3fg4 n ARG 760 N -5.28 0.67 0.00 1.25 1.74 -0.14 -0.96 116.66 113.94 3fg4 n ARG 760 Ca -0.10 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3fg4 n ARG 760 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 3fg4 n ARG 760 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fg4 n THR 761 N -1.15 0.00 0.00 0.55 -2.24 -0.66 -4.81 114.28 105.97 3fg4 n THR 761 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3fg4 n THR 761 Cb 0.17 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 3fg4 n THR 761 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3fg4 n HIS 762 N -0.82 0.00 -0.11 4.78 8.25 -1.16 -1.70 115.22 124.46 3fg4 n HIS 762 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 3fg4 n HIS 762 Cb 0.00 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.66 3fg4 n HIS 762 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3fg4 h LEU 763 N 0.00 0.95 -0.43 2.41 3.38 -0.68 -0.06 115.31 120.88 3fg4 h LEU 763 Ca 0.00 -0.47 -0.17 0.00 0.09 0.00 0.00 57.88 57.32 3fg4 h LEU 763 Cb 0.00 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3fg4 h LEU 763 CO 0.00 1.23 -0.61 0.71 0.09 0.00 0.00 178.44 179.86 3fg4 h THR 764 N 0.69 1.32 0.00 0.22 1.35 -1.10 -3.17 112.91 112.23 3fg4 h THR 764 Ca 0.05 -1.87 -0.06 0.00 -0.55 0.00 0.00 66.41 63.98 3fg4 h THR 764 Cb 0.97 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 3fg4 h THR 764 CO 0.09 0.58 -0.29 0.71 -0.25 0.00 0.00 175.52 176.37 3fg4 h THR 765 N 0.44 0.56 -1.01 6.82 1.35 -1.11 -2.84 112.91 117.13 3fg4 h THR 765 Ca -0.01 -1.50 0.26 0.00 -0.55 0.00 0.00 66.41 64.61 3fg4 h THR 765 Cb 1.17 2.05 -0.07 0.00 -1.73 0.00 0.00 68.15 69.57 3fg4 h THR 765 CO 0.12 0.28 0.67 -0.08 -0.25 0.00 0.00 175.52 176.26 3fg4 h GLU 766 N 0.00 0.30 -0.54 4.72 4.81 -0.97 -1.27 114.58 121.62 3fg4 h GLU 766 Ca -0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3fg4 h GLU 766 Cb 1.03 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 3fg4 h GLU 766 CO 0.04 0.20 0.02 0.77 -0.73 0.00 0.00 179.01 179.31 3fg4 h SER 767 N 0.31 0.88 0.04 1.04 0.02 -1.60 -1.12 113.55 113.13 3fg4 h SER 767 Ca 0.54 -0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 61.08 3fg4 h SER 767 Cb 1.52 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 3fg4 h SER 767 CO -0.20 0.93 -0.69 -0.26 -1.14 0.00 0.00 176.83 175.47 3fg4 h PHE 768 N 0.85 0.79 -0.73 3.45 -1.00 -1.43 -0.38 116.94 118.49 3fg4 h PHE 768 Ca 0.16 -0.33 -0.04 0.00 2.81 0.00 0.00 57.97 60.58 3fg4 h PHE 768 Cb 0.48 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.87 3fg4 h PHE 768 CO 0.03 1.11 0.31 0.00 -1.61 0.00 0.00 178.31 178.15 3fg4 h ALA 769 N 0.81 0.95 -0.44 2.45 0.00 -0.98 -0.64 119.26 121.41 3fg4 h ALA 769 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3fg4 h ALA 769 Cb 1.28 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3fg4 h ALA 769 CO 0.13 0.55 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 3fg4 h LEU 770 N 1.04 0.78 -1.04 0.00 5.85 -0.99 -2.89 115.31 118.05 3fg4 h LEU 770 Ca 0.25 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 3fg4 h LEU 770 Cb 0.18 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3fg4 h LEU 770 CO -0.02 0.91 0.01 -1.28 -0.34 0.00 0.00 178.44 177.72 3fg4 h SER 771 N 0.63 0.66 -0.31 1.25 0.87 -0.70 -0.08 113.55 115.87 3fg4 h SER 771 Ca 0.12 -0.14 0.06 0.00 -1.23 0.00 0.00 61.79 60.60 3fg4 h SER 771 Cb 0.53 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.25 3fg4 h SER 771 CO 0.03 0.72 -0.07 0.74 -0.53 0.00 0.00 176.83 177.72 3fg4 h THR 772 N 0.66 0.70 -0.41 2.23 2.02 -0.97 0.30 112.91 117.43 3fg4 h THR 772 Ca 0.14 -0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.17 3fg4 h THR 772 Cb 0.39 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3fg4 h THR 772 CO 0.01 0.00 -0.28 -0.50 0.37 0.00 0.00 175.52 175.12 3fg4 h TRP 773 N 0.01 1.04 -0.40 3.16 4.06 -1.13 -2.12 115.95 120.57 3fg4 h TRP 773 Ca 0.15 -0.27 -0.07 0.00 2.06 0.00 0.00 58.89 60.76 3fg4 h TRP 773 Cb 0.23 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 3fg4 h TRP 773 CO -0.29 1.07 -0.05 0.00 -3.56 0.00 0.00 178.44 175.61 3fg4 h ARG 774 N 0.76 0.67 0.00 0.49 3.08 -0.78 -3.40 114.38 115.20 3fg4 h ARG 774 Ca 0.09 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3fg4 h ARG 774 Cb 0.85 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3fg4 h ARG 774 CO 0.07 0.72 -0.73 0.09 -1.07 0.00 0.00 179.97 179.06 3fg4 n ASN 775 N -4.21 3.66 -4.49 7.04 3.02 0.10 -4.57 115.26 115.81 3fg4 n ASN 775 Ca 0.02 -0.13 -0.35 0.00 -0.03 0.00 0.00 54.58 54.08 3fg4 n ASN 775 Cb 0.31 1.00 -0.12 0.00 -0.61 0.00 0.00 39.78 40.36 3fg4 n ASN 775 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 776 N -2.73 3.42 0.67 3.41 1.43 -0.81 -4.64 118.68 119.43 3fg4 s LEU 776 Ca -0.00 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.81 3fg4 s LEU 776 Cb 0.00 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3fg4 s LEU 776 CO 0.00 0.07 1.14 0.00 0.23 0.00 0.00 176.35 177.79 3fg4 s ALA 777 N 0.98 2.39 0.57 4.21 0.00 -1.26 -4.80 121.76 123.85 3fg4 s ALA 777 Ca 0.03 0.65 0.27 0.00 0.00 0.00 0.00 51.96 52.91 3fg4 s ALA 777 Cb -0.14 -3.36 1.71 0.00 0.00 0.00 0.00 23.12 21.33 3fg4 s ALA 777 CO 0.02 -1.39 2.23 0.66 0.00 0.00 0.00 175.76 177.28 3fg4 h SER 778 N 0.03 0.00 0.63 0.00 4.64 -1.97 -0.22 113.55 116.66 3fg4 h SER 778 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fg4 h SER 778 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fg4 h SER 778 CO 0.53 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 3fg4 n ALA 779 N -2.35 2.33 -2.30 5.18 0.00 -1.26 -4.69 120.51 117.41 3fg4 n ALA 779 Ca -0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 3fg4 n ALA 779 Cb 0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.07 3fg4 n ALA 779 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s HIS 780 N -2.69 3.66 0.50 0.00 5.04 -0.10 -1.35 115.29 120.36 3fg4 s HIS 780 Ca 0.22 1.65 0.18 0.00 -1.54 0.00 0.00 55.06 55.58 3fg4 s HIS 780 Cb 0.18 -3.19 1.25 0.00 0.04 0.00 0.00 32.58 30.87 3fg4 s HIS 780 CO 0.44 -0.30 2.06 -1.00 -2.34 0.00 0.00 174.74 173.60 3fg4 h PRO 781 N 5.82 0.10 0.00 2.88 0.13 -1.89 -0.65 132.00 138.39 3fg4 h PRO 781 Ca -0.43 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 3fg4 h PRO 781 Cb 1.21 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3fg4 h PRO 781 CO 0.74 0.06 -0.91 0.82 -0.23 0.00 0.00 178.00 178.49 3fg4 h ILE 782 N 0.10 1.06 -0.21 -3.56 1.08 -1.94 0.37 117.51 114.42 3fg4 h ILE 782 Ca 0.14 -2.59 -0.01 0.00 -0.39 0.00 0.00 64.86 62.01 3fg4 h ILE 782 Cb 0.45 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.67 3fg4 h ILE 782 CO -0.01 0.60 0.08 0.15 -0.69 0.00 0.00 178.15 178.28 3fg4 h PHE 783 N 0.00 0.32 -0.52 1.37 3.57 -1.41 -1.63 116.94 118.64 3fg4 h PHE 783 Ca -0.06 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 3fg4 h PHE 783 Cb 1.59 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 3fg4 h PHE 783 CO 0.00 0.37 0.00 0.87 -2.23 0.00 0.00 178.31 177.32 3fg4 h LYS 784 N 0.17 0.92 -0.54 1.11 1.57 -0.97 -0.17 116.57 118.67 3fg4 h LYS 784 Ca 0.07 -0.29 0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3fg4 h LYS 784 Cb 0.19 -0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3fg4 h LYS 784 CO -0.00 0.94 0.11 1.25 -0.57 0.00 0.00 179.45 181.17 3fg4 h LEU 785 N 0.79 -0.00 0.00 2.94 5.85 -0.28 -3.29 115.31 121.31 3fg4 h LEU 785 Ca 0.15 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.80 3fg4 h LEU 785 Cb 0.52 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3fg4 h LEU 785 CO 0.03 0.02 -1.07 -0.07 -0.34 0.00 0.00 178.44 177.01 3fg4 h LEU 786 N 0.24 0.00 -0.73 2.25 3.38 -0.37 -3.39 115.31 116.69 3fg4 h LEU 786 Ca 0.27 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.33 3fg4 h LEU 786 Cb 0.38 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 3fg4 h LEU 786 CO -0.36 0.68 -0.51 -0.61 0.09 0.00 0.00 178.44 177.74 3fg4 h GLN 787 N 0.00 -0.16 -0.35 1.13 4.15 -1.13 0.32 115.11 119.07 3fg4 h GLN 787 Ca -0.10 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.43 3fg4 h GLN 787 Cb 1.61 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.32 3fg4 h GLN 787 CO 0.07 -0.11 0.29 -1.00 -1.93 0.00 0.00 178.83 176.16 3fg4 h PRO 788 N -0.16 0.00 0.00 -2.39 0.13 -1.78 -2.86 132.00 124.93 3fg4 h PRO 788 Ca 0.17 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 3fg4 h PRO 788 Cb 0.53 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.62 3fg4 h PRO 788 CO -0.79 0.00 -1.64 0.72 -0.23 0.00 0.00 178.00 176.06 3fg4 n HIS 789 N -4.15 0.70 0.55 1.56 8.25 0.88 -4.07 115.22 118.95 3fg4 n HIS 789 Ca 0.05 0.23 0.12 0.00 -0.26 0.00 0.00 57.72 57.87 3fg4 n HIS 789 Cb 0.46 -1.00 0.21 0.00 1.12 0.00 0.00 29.99 30.78 3fg4 n HIS 789 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3fg4 h ILE 790 N 0.00 0.00 -3.00 1.59 3.07 -0.79 -3.38 117.51 115.00 3fg4 h ILE 790 Ca -0.20 -0.53 -0.57 0.00 1.55 0.00 0.00 64.86 65.11 3fg4 h ILE 790 Cb 1.61 1.20 0.09 0.00 -0.27 0.00 0.00 36.82 39.46 3fg4 h ILE 790 CO 0.04 0.00 0.66 0.00 -1.05 0.00 0.00 178.15 177.79 3fg4 n TYR 791 N -2.20 2.38 0.00 0.16 9.36 -1.09 -3.42 117.16 122.34 3fg4 n TYR 791 Ca 0.04 0.42 0.00 0.00 3.32 0.00 0.00 57.90 61.68 3fg4 n TYR 791 Cb 0.45 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 3fg4 n TYR 791 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3fg4 n GLY 792 N 1.78 2.91 0.36 2.98 0.00 -1.26 -4.04 105.19 107.93 3fg4 n GLY 792 Ca 0.09 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.40 3fg4 n GLY 792 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3fg4 h VAL 793 N 0.00 0.97 -0.24 1.61 -1.51 -1.21 0.58 116.25 116.46 3fg4 h VAL 793 Ca 0.00 -0.29 -0.18 0.00 -1.23 0.00 0.00 66.70 64.99 3fg4 h VAL 793 Cb 0.00 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.21 3fg4 h VAL 793 CO 0.00 0.16 -0.57 -0.07 -1.23 0.00 0.00 177.57 175.85 3fg4 h LEU 794 N 0.85 0.91 0.15 4.19 3.38 -1.84 -0.26 115.31 122.69 3fg4 h LEU 794 Ca 0.39 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3fg4 h LEU 794 Cb 0.39 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fg4 h LEU 794 CO -0.16 1.31 -0.07 0.00 0.09 0.00 0.00 178.44 179.60 3fg4 h ALA 795 N 0.63 -0.21 -0.27 1.53 0.00 -1.47 -1.59 119.26 117.88 3fg4 h ALA 795 Ca -0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3fg4 h ALA 795 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3fg4 h ALA 795 CO 0.12 -0.43 -0.21 0.97 0.00 0.00 0.00 179.25 179.70 3fg4 h ILE 796 N -0.57 1.26 -0.16 0.00 6.09 -0.92 -1.02 117.51 122.18 3fg4 h ILE 796 Ca -0.02 -1.20 -0.17 0.00 -1.37 0.00 0.00 64.86 62.10 3fg4 h ILE 796 Cb 0.44 1.29 -0.00 0.00 0.47 0.00 0.00 36.82 39.01 3fg4 h ILE 796 CO 0.03 0.39 -0.60 0.44 -3.07 0.00 0.00 178.15 175.34 3fg4 h ASP 797 N 0.45 0.61 0.12 2.19 5.19 -1.07 0.15 116.42 124.06 3fg4 h ASP 797 Ca 0.07 -0.35 -0.01 0.00 -0.62 0.00 0.00 57.03 56.13 3fg4 h ASP 797 Cb 0.62 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3fg4 h ASP 797 CO 0.04 1.07 -0.06 0.74 -3.12 0.00 0.00 179.24 177.92 3fg4 h THR 798 N 0.40 1.00 -0.49 0.35 2.02 -1.08 -0.17 112.91 114.93 3fg4 h THR 798 Ca -0.00 -0.50 0.10 0.00 0.77 0.00 0.00 66.41 66.77 3fg4 h THR 798 Cb 1.16 1.32 -0.08 0.00 -1.74 0.00 0.00 68.15 68.80 3fg4 h THR 798 CO 0.11 0.12 -0.02 0.40 0.37 0.00 0.00 175.52 176.50 3fg4 h ILE 799 N -0.40 0.59 -0.40 3.11 2.04 -1.08 -2.13 117.51 119.24 3fg4 h ILE 799 Ca -0.02 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3fg4 h ILE 799 Cb 0.32 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3fg4 h ILE 799 CO 0.03 0.02 0.15 1.23 0.00 0.00 0.00 178.15 179.57 3fg4 h GLY 800 N 0.09 0.52 1.55 5.37 0.00 -0.38 -1.44 103.07 108.79 3fg4 h GLY 800 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3fg4 h GLY 800 CO -0.43 0.03 0.10 3.21 0.00 0.00 0.00 176.54 179.45 3fg4 h ARG 801 N 0.31 0.58 -0.02 4.80 3.08 -0.63 -3.08 114.38 119.42 3fg4 h ARG 801 Ca 0.18 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3fg4 h ARG 801 Cb 0.16 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3fg4 h ARG 801 CO -0.18 0.53 -0.21 1.63 -1.07 0.00 0.00 179.97 180.66 3fg4 n LYS 802 N -4.33 1.58 0.08 0.04 5.02 -0.84 -4.81 118.16 114.89 3fg4 n LYS 802 Ca 0.02 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.14 3fg4 n LYS 802 Cb 0.19 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3fg4 n LYS 802 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3fg4 n GLU 803 N 0.38 0.00 -2.06 1.97 0.28 -0.58 -5.08 120.64 115.55 3fg4 n GLU 803 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.80 3fg4 n GLU 803 Cb 0.41 -0.03 -0.05 0.00 1.43 0.00 0.00 31.44 33.20 3fg4 n GLU 803 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3fg4 s LEU 804 N -6.10 3.19 0.00 -1.84 1.43 -1.16 -4.84 118.68 109.36 3fg4 s LEU 804 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3fg4 s LEU 804 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 3fg4 s LEU 804 CO 0.00 -2.66 0.00 0.61 0.23 0.00 0.00 176.35 174.53 3fg4 n GLY 808 N 6.70 0.27 2.93 -3.19 0.00 -1.26 -4.42 105.19 106.23 3fg4 n GLY 808 Ca 0.37 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 3fg4 n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 809 N 0.00 3.03 0.09 -0.02 0.00 -1.26 -4.82 105.19 102.20 3fg4 n GLY 809 Ca 0.00 -2.29 -0.03 0.00 0.00 0.00 0.00 46.02 43.70 3fg4 n GLY 809 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fg4 h ILE 810 N 0.77 0.00 -0.73 -0.61 2.04 -1.92 -3.19 117.51 113.87 3fg4 h ILE 810 Ca -0.28 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 3fg4 h ILE 810 Cb 0.99 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 3fg4 h ILE 810 CO 0.45 0.00 0.30 -0.37 0.00 0.00 0.00 178.15 178.53 3fg4 h VAL 811 N -0.11 1.24 -0.13 1.67 -1.51 -1.98 -3.29 116.25 112.14 3fg4 h VAL 811 Ca 0.01 -0.76 -0.01 0.00 -1.23 0.00 0.00 66.70 64.71 3fg4 h VAL 811 Cb 0.13 0.36 -0.01 0.00 -2.13 0.00 0.00 31.29 29.64 3fg4 h VAL 811 CO -0.08 0.31 0.05 0.44 -1.23 0.00 0.00 177.57 177.06 3fg4 h ASP 812 N 1.06 0.16 0.53 4.19 5.19 -1.87 -2.08 116.42 123.59 3fg4 h ASP 812 Ca 0.25 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.55 3fg4 h ASP 812 Cb 0.19 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 3fg4 h ASP 812 CO -0.02 0.15 -1.56 0.00 -3.12 0.00 0.00 179.24 174.69 3fg4 n GLN 813 N -4.48 0.63 0.00 3.56 3.00 -1.24 -4.48 117.38 114.37 3fg4 n GLN 813 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3fg4 n GLN 813 Cb 0.11 -1.71 0.00 0.00 0.00 0.00 0.00 30.24 28.64 3fg4 n GLN 813 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3fg4 n SER 814 N -2.66 0.70 -4.03 1.08 3.41 -0.92 -4.84 113.62 106.36 3fg4 n SER 814 Ca -0.08 -0.87 -0.25 0.00 -0.26 0.00 0.00 58.87 57.41 3fg4 n SER 814 Cb 0.73 0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 64.72 3fg4 n SER 814 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fg4 s LEU 815 N -0.41 1.66 0.30 1.04 2.96 -0.83 -4.27 118.68 119.12 3fg4 s LEU 815 Ca 0.00 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3fg4 s LEU 815 Cb 0.00 -0.83 0.75 0.00 0.50 0.00 0.00 46.19 46.61 3fg4 s LEU 815 CO 0.00 0.04 1.62 0.28 -1.32 0.00 0.00 176.35 176.97 3fg4 h SER 816 N 6.93 -0.13 0.00 3.68 0.02 -1.12 0.65 113.55 123.58 3fg4 h SER 816 Ca -0.31 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3fg4 h SER 816 Cb 1.19 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.06 3fg4 h SER 816 CO 0.47 -0.23 0.00 0.18 -1.14 0.00 0.00 176.83 176.11 3fg4 n LEU 817 N -5.31 0.00 -4.70 5.07 4.32 -1.26 -1.96 117.00 113.16 3fg4 n LEU 817 Ca 0.23 0.00 -0.30 0.00 -0.02 0.00 0.00 56.01 55.91 3fg4 n LEU 817 Cb 0.73 0.00 0.14 0.00 -1.62 0.00 0.00 43.42 42.68 3fg4 n LEU 817 CO 0.02 0.00 0.67 -0.83 -1.22 0.00 0.00 177.39 176.03 3fg4 s GLY 818 N -1.46 1.65 0.00 -0.72 0.00 0.22 -0.17 107.32 106.85 3fg4 s GLY 818 Ca 0.14 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.13 3fg4 s GLY 818 CO 0.10 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.52 3fg4 n GLY 819 N -0.49 0.52 0.00 0.20 0.00 -1.26 -2.80 105.19 101.36 3fg4 n GLY 819 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3fg4 n GLY 819 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg4 n GLY 820 N -2.00 3.12 0.23 -0.02 0.00 -1.26 -4.96 105.19 100.31 3fg4 n GLY 820 Ca 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.75 3fg4 n GLY 820 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fg4 h GLY 821 N 0.00 0.00 0.96 -0.02 0.00 -1.67 -2.91 103.07 99.43 3fg4 h GLY 821 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3fg4 h GLY 821 CO 0.00 0.00 -0.31 1.12 0.00 0.00 0.00 176.54 177.35 3fg4 h HIS 822 N 0.00 0.82 -0.30 5.60 2.07 -0.81 -2.03 115.15 120.50 3fg4 h HIS 822 Ca 0.00 -0.26 -0.00 0.00 -2.85 0.00 0.00 60.37 57.26 3fg4 h HIS 822 Cb 0.19 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 29.98 3fg4 h HIS 822 CO 0.00 1.01 0.17 0.28 -3.07 0.00 0.00 177.93 176.32 3fg4 h VAL 823 N 0.40 1.12 -0.88 6.12 2.07 -1.80 -1.48 116.25 121.81 3fg4 h VAL 823 Ca 0.03 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.33 3fg4 h VAL 823 Cb 0.89 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3fg4 h VAL 823 CO 0.08 0.12 0.57 0.74 0.02 0.00 0.00 177.57 179.10 3fg4 h THR 824 N 0.38 1.01 -0.25 2.57 2.02 -1.58 -0.93 112.91 116.13 3fg4 h THR 824 Ca 0.11 -0.31 -0.17 0.00 0.77 0.00 0.00 66.41 66.81 3fg4 h THR 824 Cb 0.05 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 3fg4 h THR 824 CO -0.02 0.17 -0.51 0.15 0.37 0.00 0.00 175.52 175.67 3fg4 h PHE 825 N 0.91 0.88 -0.32 3.16 3.57 -0.90 -1.13 116.94 123.12 3fg4 h PHE 825 Ca 0.39 -0.30 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 3fg4 h PHE 825 Cb 0.32 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3fg4 h PHE 825 CO -0.00 1.08 -0.16 0.52 -2.23 0.00 0.00 178.31 177.52 3fg4 h MET 826 N 0.56 0.68 -0.39 1.11 2.86 -0.60 -0.06 114.93 119.08 3fg4 h MET 826 Ca 0.02 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3fg4 h MET 826 Cb 1.08 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 3fg4 h MET 826 CO 0.11 0.89 0.15 0.93 1.06 0.00 0.00 176.91 180.05 3fg4 h GLU 827 N 0.44 0.31 -0.24 1.72 5.08 -1.10 0.86 114.58 121.65 3fg4 h GLU 827 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fg4 h GLU 827 Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3fg4 h GLU 827 CO 0.05 0.21 0.14 -0.22 -1.00 0.00 0.00 179.01 178.18 3fg4 h LYS 828 N 0.32 0.33 -0.69 2.33 3.64 -0.83 -1.28 116.57 120.39 3fg4 h LYS 828 Ca 0.17 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3fg4 h LYS 828 Cb 0.14 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 3fg4 h LYS 828 CO -0.16 0.27 0.39 0.00 -2.27 0.00 0.00 179.45 177.68 3fg4 h PHE 830 N 0.73 0.20 -0.59 0.00 3.57 0.13 -1.44 116.94 119.54 3fg4 h PHE 830 Ca 0.31 -0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.95 3fg4 h PHE 830 Cb 0.17 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3fg4 h PHE 830 CO -0.07 0.37 0.44 0.87 -2.23 0.00 0.00 178.31 177.69 3fg4 h LYS 831 N 0.18 0.00 -0.00 1.11 1.57 -0.93 -1.17 116.57 117.32 3fg4 h LYS 831 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3fg4 h LYS 831 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3fg4 h LYS 831 CO 0.03 0.00 -0.61 0.39 -0.57 0.00 0.00 179.45 178.69 3fg4 n GLU 832 N -4.29 0.01 -1.91 3.15 -0.58 -0.56 -1.53 120.64 114.92 3fg4 n GLU 832 Ca 0.11 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 3fg4 n GLU 832 Cb 0.68 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.02 3fg4 n GLU 832 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg4 s VAL 833 N -3.00 2.48 -0.01 2.62 1.01 -0.45 -4.97 120.40 118.10 3fg4 s VAL 833 Ca 0.10 0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.50 3fg4 s VAL 833 Cb 0.17 -3.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3fg4 s VAL 833 CO 0.74 0.05 -0.15 0.21 0.00 0.00 0.00 175.10 175.95 3fg4 s ASN 834 N 0.75 1.72 0.45 3.32 2.47 -1.26 -4.16 114.94 118.23 3fg4 s ASN 834 Ca 0.65 -0.28 0.31 0.00 0.42 0.00 0.00 52.86 53.96 3fg4 s ASN 834 Cb -0.44 -0.18 1.57 0.00 -1.45 0.00 0.00 41.25 40.75 3fg4 s ASN 834 CO 0.39 0.17 1.94 0.25 -3.72 0.00 0.00 177.10 176.13 3fg4 h LEU 835 N 5.70 0.00 -0.17 3.21 5.85 -1.35 -1.21 115.31 127.34 3fg4 h LEU 835 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3fg4 h LEU 835 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3fg4 h LEU 835 CO 0.48 0.00 0.00 1.56 -0.34 0.00 0.00 178.44 180.14 3fg4 h GLN 836 N 0.00 0.00 0.00 1.25 1.08 -1.86 -2.73 115.11 112.85 3fg4 h GLN 836 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3fg4 h GLN 836 Cb 0.13 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 3fg4 h GLN 836 CO 0.00 0.00 -0.02 -0.44 -0.95 0.00 0.00 178.83 177.42 3fg4 h ASP 837 N 0.00 0.00 -0.33 1.46 3.32 -1.63 -2.80 116.42 116.44 3fg4 h ASP 837 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3fg4 h ASP 837 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3fg4 h ASP 837 CO 0.00 0.02 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32 3fg4 n TYR 838 N -3.30 0.42 -3.52 4.55 4.02 -1.03 -4.76 117.16 113.54 3fg4 n TYR 838 Ca -0.02 -0.21 -0.41 0.00 -0.01 0.00 0.00 57.90 57.24 3fg4 n TYR 838 Cb 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.36 3fg4 n TYR 838 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3fg4 s HIS 839 N -1.58 3.23 -0.03 -0.72 2.46 -1.06 -4.65 115.29 112.95 3fg4 s HIS 839 Ca 0.36 -0.57 -0.25 0.00 0.47 0.00 0.00 55.06 55.07 3fg4 s HIS 839 Cb 0.20 -2.51 -0.19 0.00 -0.13 0.00 0.00 32.58 29.95 3fg4 s HIS 839 CO 0.28 -0.53 1.15 1.25 -2.47 0.00 0.00 174.74 174.43 3fg4 h LEU 840 N 8.53 -0.09 -0.61 8.88 5.85 -1.88 0.13 115.31 136.12 3fg4 h LEU 840 Ca -0.28 -0.43 0.13 0.00 0.84 0.00 0.00 57.88 58.13 3fg4 h LEU 840 Cb 1.13 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 3fg4 h LEU 840 CO 0.68 0.41 -0.01 -0.65 -0.34 0.00 0.00 178.44 178.54 3fg4 h PRO 841 N -0.63 0.10 -0.16 5.25 0.11 -1.98 -0.54 132.00 134.16 3fg4 h PRO 841 Ca -0.01 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.91 3fg4 h PRO 841 Cb 0.52 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3fg4 h PRO 841 CO 0.02 0.07 -0.66 -0.91 -0.21 0.00 0.00 178.00 176.31 3fg4 h ASN 842 N 0.11 0.69 -0.42 -2.05 -0.26 -1.89 -2.11 115.58 109.64 3fg4 h ASN 842 Ca 0.32 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3fg4 h ASN 842 Cb 0.52 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 3fg4 h ASN 842 CO -0.53 1.16 0.26 0.00 -1.06 0.00 0.00 177.43 177.26 3fg4 h ALA 843 N 0.83 0.54 -0.21 -0.83 0.00 -0.25 0.07 119.26 119.41 3fg4 h ALA 843 Ca -0.02 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 3fg4 h ALA 843 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3fg4 h ALA 843 CO 0.13 0.02 -0.53 -0.07 0.00 0.00 0.00 179.25 178.79 3fg4 h LEU 844 N 0.56 0.68 0.04 0.00 3.38 -1.06 -2.32 115.31 116.59 3fg4 h LEU 844 Ca 0.15 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3fg4 h LEU 844 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3fg4 h LEU 844 CO -0.03 1.08 -0.05 0.50 0.09 0.00 0.00 178.44 180.04 3fg4 h LYS 845 N 0.48 -0.10 -0.36 1.13 3.64 -1.24 -1.43 116.57 118.69 3fg4 h LYS 845 Ca 0.01 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fg4 h LYS 845 Cb 1.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3fg4 h LYS 845 CO 0.10 -0.07 0.20 -0.22 -2.27 0.00 0.00 179.45 177.20 3fg4 h LYS 846 N -0.11 0.48 0.00 1.90 3.64 -0.83 -0.23 116.57 121.43 3fg4 h LYS 846 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fg4 h LYS 846 Cb 0.11 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3fg4 h LYS 846 CO -0.02 0.35 0.00 0.00 -2.27 0.00 0.00 179.45 177.51 3fg4 h ARG 847 N 0.49 0.00 -1.11 1.90 3.08 -1.27 -3.48 114.38 113.99 3fg4 h ARG 847 Ca 0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3fg4 h ARG 847 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3fg4 h ARG 847 CO -0.02 0.00 -0.20 0.41 -1.07 0.00 0.00 179.97 179.09 3fg4 n GLY 848 N 1.09 0.05 0.17 0.04 0.00 -0.10 0.05 105.19 106.50 3fg4 n GLY 848 Ca 0.05 -0.56 0.05 0.00 0.00 0.00 0.00 46.02 45.55 3fg4 n GLY 848 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3fg4 n VAL 849 N -4.00 1.40 0.35 1.61 0.24 -0.62 -4.33 118.33 112.97 3fg4 n VAL 849 Ca -0.09 -1.49 0.11 0.00 -2.04 0.00 0.00 64.34 60.84 3fg4 n VAL 849 Cb 0.57 0.20 0.26 0.00 -1.47 0.00 0.00 33.84 33.39 3fg4 n VAL 849 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3fg4 n ASP 850 N -0.69 3.20 -4.44 -1.34 5.75 -1.23 -4.84 116.55 112.95 3fg4 n ASP 850 Ca 0.08 -1.96 -0.40 0.00 -0.01 0.00 0.00 54.79 52.50 3fg4 n ASP 850 Cb 0.45 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3fg4 n ASP 850 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3fg4 s ASP 851 N -1.36 5.83 0.19 -1.12 -1.08 -1.26 -4.98 116.67 112.88 3fg4 s ASP 851 Ca 0.39 -0.72 -0.10 0.00 -0.52 0.00 0.00 52.55 51.60 3fg4 s ASP 851 Cb 0.22 -2.07 0.10 0.00 -1.46 0.00 0.00 42.92 39.71 3fg4 s ASP 851 CO 0.30 -0.31 1.72 -0.65 0.52 0.00 0.00 175.17 176.75 3fg4 h PRO 852 N 8.46 1.05 0.00 4.34 0.11 -1.89 0.09 132.00 144.16 3fg4 h PRO 852 Ca -0.29 -0.23 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3fg4 h PRO 852 Cb 1.13 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3fg4 h PRO 852 CO 0.66 0.91 -0.00 0.66 -0.21 0.00 0.00 178.00 180.02 3fg4 h SER 853 N 0.98 0.00 0.00 -2.05 4.64 -2.00 -2.89 113.55 112.23 3fg4 h SER 853 Ca 0.22 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.18 3fg4 h SER 853 Cb 0.31 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 3fg4 h SER 853 CO -0.01 0.00 -2.32 0.29 -0.87 0.00 0.00 176.83 173.93 3fg4 n LYS 854 N -3.65 0.84 -3.73 4.77 4.76 -0.98 -4.83 118.16 115.34 3fg4 n LYS 854 Ca -0.03 0.02 -0.30 0.00 -2.87 0.00 0.00 58.31 55.13 3fg4 n LYS 854 Cb 0.08 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 31.65 3fg4 n LYS 854 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3fg4 s LEU 855 N -5.58 2.63 0.62 -0.35 2.96 -0.02 -4.71 118.68 114.23 3fg4 s LEU 855 Ca -0.13 -2.26 -0.03 0.00 -0.22 0.00 0.00 54.13 51.48 3fg4 s LEU 855 Cb 0.06 -1.00 0.04 0.00 0.50 0.00 0.00 46.19 45.79 3fg4 s LEU 855 CO 0.74 -0.32 0.88 -2.16 -1.32 0.00 0.00 176.35 174.17 3fg4 s PRO 856 N 0.82 2.45 -0.90 0.98 0.04 -1.10 -4.28 135.00 133.00 3fg4 s PRO 856 Ca 0.15 -0.48 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 3fg4 s PRO 856 Cb -0.22 -2.33 0.00 0.00 0.04 0.00 0.00 34.50 31.99 3fg4 s PRO 856 CO -0.08 -0.92 0.77 0.41 0.04 0.00 0.00 177.00 177.21 3fg4 n GLY 857 N -2.60 -0.13 2.80 0.56 0.00 -1.26 -4.94 105.19 99.61 3fg4 n GLY 857 Ca 0.07 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3fg4 n GLY 857 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fg4 s PHE 858 N -3.25 2.72 -0.09 1.61 5.36 -1.26 -4.85 117.98 118.22 3fg4 s PHE 858 Ca 0.17 -2.91 0.14 0.00 -0.96 0.00 0.00 56.93 53.37 3fg4 s PHE 858 Cb -0.08 -2.29 -0.08 0.00 -0.34 0.00 0.00 43.02 40.24 3fg4 s PHE 858 CO 0.52 -0.70 1.11 1.88 -1.46 0.00 0.00 175.22 176.58 3fg4 h TYR 859 N 6.10 0.00 -0.68 10.12 -1.99 -1.94 -2.71 116.97 125.87 3fg4 h TYR 859 Ca 0.06 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.90 3fg4 h TYR 859 Cb 0.86 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.46 3fg4 h TYR 859 CO 0.53 0.64 -0.34 -0.92 -0.00 0.00 0.00 178.16 178.08 3fg4 h TYR 860 N 0.00 -0.93 0.52 4.88 3.20 -1.94 0.13 116.97 122.83 3fg4 h TYR 860 Ca -0.09 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3fg4 h TYR 860 Cb 1.57 0.51 -0.00 0.00 1.54 0.00 0.00 36.73 40.34 3fg4 h TYR 860 CO 0.00 -0.38 -0.31 -0.09 -1.64 0.00 0.00 178.16 175.74 3fg4 h ARG 861 N -0.12 -0.75 -0.45 1.82 2.43 -1.82 0.61 114.38 116.10 3fg4 h ARG 861 Ca 0.26 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3fg4 h ARG 861 Cb 0.56 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 3fg4 h ARG 861 CO -0.74 -0.50 0.12 -0.44 -1.51 0.00 0.00 179.97 176.89 3fg4 h ASP 862 N -0.78 0.67 -0.07 -3.80 3.45 -1.17 0.28 116.42 115.00 3fg4 h ASP 862 Ca -0.06 -0.22 -0.11 0.00 0.43 0.00 0.00 57.03 57.06 3fg4 h ASP 862 Cb 0.63 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3fg4 h ASP 862 CO 0.07 0.72 -0.39 0.44 -1.57 0.00 0.00 179.24 178.51 3fg4 h ASP 863 N 0.59 0.47 -0.15 6.45 3.32 -0.75 -2.29 116.42 124.06 3fg4 h ASP 863 Ca 0.14 -0.66 0.05 0.00 0.02 0.00 0.00 57.03 56.58 3fg4 h ASP 863 Cb 0.30 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3fg4 h ASP 863 CO -0.00 1.05 -0.31 1.23 -1.72 0.00 0.00 179.24 179.49 3fg4 h GLY 864 N -0.08 -0.41 1.68 2.75 0.00 0.63 -0.38 103.07 107.26 3fg4 h GLY 864 Ca -0.03 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 3fg4 h GLY 864 CO 0.08 -0.22 0.13 1.41 0.00 0.00 0.00 176.54 177.95 3fg4 h LEU 865 N -0.38 0.38 -0.40 3.11 3.38 -0.45 0.18 115.31 121.13 3fg4 h LEU 865 Ca 0.10 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3fg4 h LEU 865 Cb 0.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3fg4 h LEU 865 CO -0.36 0.34 -0.36 0.00 0.09 0.00 0.00 178.44 178.14 3fg4 h ALA 866 N 1.72 0.58 -0.36 1.53 0.00 -0.75 -2.58 119.26 119.41 3fg4 h ALA 866 Ca 0.11 -0.45 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 3fg4 h ALA 866 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3fg4 h ALA 866 CO -0.01 0.67 -0.36 -0.07 0.00 0.00 0.00 179.25 179.48 3fg4 h LEU 867 N 0.77 0.90 -0.27 0.00 3.38 -0.01 -2.17 115.31 117.92 3fg4 h LEU 867 Ca 0.07 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3fg4 h LEU 867 Cb 0.96 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3fg4 h LEU 867 CO 0.09 1.16 0.18 -0.25 0.09 0.00 0.00 178.44 179.71 3fg4 h TRP 868 N 0.70 0.34 -0.73 1.13 2.91 -0.63 -0.67 115.95 118.99 3fg4 h TRP 868 Ca 0.06 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 3fg4 h TRP 868 Cb 0.93 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.43 3fg4 h TRP 868 CO 0.05 0.21 0.36 1.49 -1.03 0.00 0.00 178.44 179.53 3fg4 h GLU 869 N 0.36 1.05 -0.26 2.65 4.81 -1.35 0.45 114.58 122.29 3fg4 h GLU 869 Ca 0.10 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3fg4 h GLU 869 Cb -0.04 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3fg4 h GLU 869 CO -0.02 0.82 0.17 0.00 -0.73 0.00 0.00 179.01 179.24 3fg4 h ALA 870 N 1.18 0.33 -0.24 2.92 0.00 -0.87 -0.08 119.26 122.50 3fg4 h ALA 870 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3fg4 h ALA 870 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fg4 h ALA 870 CO -0.03 -0.21 0.05 0.82 0.00 0.00 0.00 179.25 179.88 3fg4 h ILE 871 N 0.34 1.21 -0.40 0.00 2.04 -0.90 -2.47 117.51 117.34 3fg4 h ILE 871 Ca 0.10 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3fg4 h ILE 871 Cb -0.03 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3fg4 h ILE 871 CO -0.03 0.22 0.20 -0.08 0.00 0.00 0.00 178.15 178.46 3fg4 h GLU 872 N 0.21 0.39 -0.33 2.37 4.81 -0.64 0.26 114.58 121.65 3fg4 h GLU 872 Ca 0.07 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 3fg4 h GLU 872 Cb 0.29 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3fg4 h GLU 872 CO 0.00 0.26 0.13 1.15 -0.73 0.00 0.00 179.01 179.82 3fg4 h THR 873 N 0.40 0.93 -0.21 0.32 2.02 -1.03 0.98 112.91 116.32 3fg4 h THR 873 Ca 0.17 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3fg4 h THR 873 Cb 0.08 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3fg4 h THR 873 CO -0.12 0.05 0.08 0.15 0.37 0.00 0.00 175.52 176.05 3fg4 h PHE 874 N 0.28 0.31 -0.48 3.16 3.57 -0.95 -1.78 116.94 121.05 3fg4 h PHE 874 Ca 0.14 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3fg4 h PHE 874 Cb 0.10 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3fg4 h PHE 874 CO -0.12 0.35 0.27 0.82 -2.23 0.00 0.00 178.31 177.40 3fg4 h ILE 875 N 0.18 1.03 -0.60 1.41 2.04 -0.19 -0.75 117.51 120.63 3fg4 h ILE 875 Ca 0.07 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3fg4 h ILE 875 Cb 0.17 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3fg4 h ILE 875 CO -0.01 0.10 0.40 1.23 0.00 0.00 0.00 178.15 179.87 3fg4 h GLY 876 N 0.54 0.75 1.32 5.37 0.00 -0.65 0.74 103.07 111.14 3fg4 h GLY 876 Ca 0.20 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 47.06 3fg4 h GLY 876 CO -0.10 0.19 -0.84 0.83 0.00 0.00 0.00 176.54 176.62 3fg4 h GLU 877 N 0.62 0.65 -0.40 4.80 5.08 -0.74 -2.19 114.58 122.40 3fg4 h GLU 877 Ca 0.26 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3fg4 h GLU 877 Cb 0.23 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3fg4 h GLU 877 CO -0.07 1.19 0.23 0.82 -1.00 0.00 0.00 179.01 180.18 3fg4 h ILE 878 N 0.42 1.14 -0.49 3.13 1.08 -0.41 -2.86 117.51 119.52 3fg4 h ILE 878 Ca -0.07 -0.33 0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3fg4 h ILE 878 Cb 1.46 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 35.81 3fg4 h ILE 878 CO 0.16 0.14 0.28 0.40 -0.69 0.00 0.00 178.15 178.44 3fg4 h ILE 879 N 0.52 1.02 0.00 -0.67 2.04 -0.72 -2.75 117.51 116.96 3fg4 h ILE 879 Ca 0.14 -0.19 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3fg4 h ILE 879 Cb 0.02 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3fg4 h ILE 879 CO -0.03 0.10 -0.17 0.00 0.00 0.00 0.00 178.15 178.06 3fg4 h ALA 880 N 1.23 1.27 -0.76 1.87 0.00 -1.28 0.13 119.26 121.72 3fg4 h ALA 880 Ca 0.20 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3fg4 h ALA 880 Cb 0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3fg4 h ALA 880 CO -0.11 0.21 0.28 0.82 0.00 0.00 0.00 179.25 180.45 3fg4 h ILE 881 N 0.00 1.26 0.00 0.00 2.04 -1.26 -3.39 117.51 116.17 3fg4 h ILE 881 Ca -0.00 -0.86 -0.26 0.00 1.00 0.00 0.00 64.86 64.74 3fg4 h ILE 881 Cb 0.44 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3fg4 h ILE 881 CO 0.02 0.34 -1.99 0.49 0.00 0.00 0.00 178.15 177.01 3fg4 n PHE 882 N -4.28 0.00 -3.70 1.37 3.01 -0.47 -4.86 117.46 108.52 3fg4 n PHE 882 Ca 0.06 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.14 3fg4 n PHE 882 Cb 0.20 -0.71 -0.12 0.00 -0.01 0.00 0.00 39.48 38.85 3fg4 n PHE 882 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3fg4 s TYR 883 N -2.35 3.19 -0.79 1.38 1.51 0.34 -4.87 117.35 115.76 3fg4 s TYR 883 Ca -0.10 -0.96 0.26 0.00 -1.01 0.00 0.00 57.07 55.27 3fg4 s TYR 883 Cb 0.05 -2.32 0.79 0.00 -0.11 0.00 0.00 41.96 40.36 3fg4 s TYR 883 CO 0.56 -0.59 1.69 1.63 -1.11 0.00 0.00 175.55 177.74 3fg4 n LYS 884 N 4.91 0.20 -1.55 -0.62 4.76 -1.26 -4.39 118.16 120.20 3fg4 n LYS 884 Ca -0.13 0.13 -0.00 0.00 -2.87 0.00 0.00 58.31 55.43 3fg4 n LYS 884 Cb 0.47 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 3fg4 n LYS 884 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3fg4 n ASN 885 N -2.02 -0.14 0.10 4.39 0.23 -1.26 -5.05 115.26 111.50 3fg4 n ASN 885 Ca 0.05 -1.08 -0.05 0.00 -0.53 0.00 0.00 54.58 52.97 3fg4 n ASN 885 Cb 0.41 0.23 0.09 0.00 -2.08 0.00 0.00 39.78 38.43 3fg4 n ASN 885 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3fg4 h ASP 886 N 0.15 0.19 -0.39 0.53 3.32 -1.92 -3.26 116.42 115.05 3fg4 h ASP 886 Ca -0.02 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 3fg4 h ASP 886 Cb 0.09 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3fg4 h ASP 886 CO 0.03 0.82 -0.01 -0.78 -1.72 0.00 0.00 179.24 177.59 3fg4 h ASP 887 N 0.11 0.75 -0.94 6.45 3.58 -1.97 -1.40 116.42 122.99 3fg4 h ASP 887 Ca -0.02 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.34 3fg4 h ASP 887 Cb 1.24 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 42.02 3fg4 h ASP 887 CO 0.10 0.82 0.59 0.44 -2.88 0.00 0.00 179.24 178.31 3fg4 h ASP 888 N 0.72 0.89 0.05 2.28 3.32 -1.97 0.10 116.42 121.82 3fg4 h ASP 888 Ca 0.14 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3fg4 h ASP 888 Cb 0.45 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3fg4 h ASP 888 CO 0.02 0.52 -0.02 0.58 -1.72 0.00 0.00 179.24 178.62 3fg4 h VAL 889 N 1.00 1.01 -0.57 -1.35 2.07 -1.34 -2.85 116.25 114.22 3fg4 h VAL 889 Ca 0.44 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.78 3fg4 h VAL 889 Cb 0.32 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3fg4 h VAL 889 CO -0.22 0.05 0.37 0.11 0.02 0.00 0.00 177.57 177.90 3fg4 h LYS 890 N -0.15 0.72 0.00 1.57 6.56 -0.89 -2.49 116.57 121.89 3fg4 h LYS 890 Ca -0.01 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3fg4 h LYS 890 Cb 0.13 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 3fg4 h LYS 890 CO 0.01 0.48 0.00 0.54 -2.06 0.00 0.00 179.45 178.42 3fg4 n ARG 891 N -4.71 0.07 -2.67 3.15 1.74 0.33 -4.73 116.66 109.83 3fg4 n ARG 891 Ca 0.04 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 3fg4 n ARG 891 Cb 0.04 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 3fg4 n ARG 891 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fg4 s ASP 892 N -2.92 6.28 0.55 0.55 2.15 -0.94 -4.85 116.67 117.49 3fg4 s ASP 892 Ca 0.15 -0.37 0.31 0.00 0.43 0.00 0.00 52.55 53.08 3fg4 s ASP 892 Cb 0.17 -2.51 1.56 0.00 -0.30 0.00 0.00 42.92 41.84 3fg4 s ASP 892 CO 0.45 -1.54 2.09 -1.13 -0.17 0.00 0.00 175.17 174.86 3fg4 h ASN 893 N 9.66 0.00 0.04 -0.34 -1.24 -1.87 -1.39 115.58 120.43 3fg4 h ASN 893 Ca -0.27 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.74 3fg4 h ASN 893 Cb 1.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.11 3fg4 h ASN 893 CO 1.20 0.08 -0.02 -0.33 -1.29 0.00 0.00 177.43 177.07 3fg4 h GLU 894 N 0.00 -0.05 -0.32 6.67 5.08 -1.89 -0.25 114.58 123.83 3fg4 h GLU 894 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3fg4 h GLU 894 Cb 0.35 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3fg4 h GLU 894 CO 0.01 0.62 -0.02 0.97 -1.00 0.00 0.00 179.01 179.58 3fg4 h ILE 895 N -0.90 1.20 -0.24 3.13 6.09 -1.82 -0.21 117.51 124.76 3fg4 h ILE 895 Ca -0.00 -0.80 -0.02 0.00 -1.37 0.00 0.00 64.86 62.66 3fg4 h ILE 895 Cb 0.69 0.99 -0.01 0.00 0.47 0.00 0.00 36.82 38.95 3fg4 h ILE 895 CO 0.01 0.27 0.07 1.56 -3.07 0.00 0.00 178.15 176.99 3fg4 h GLN 896 N 0.47 0.37 -0.50 2.19 1.08 -1.32 -2.54 115.11 114.87 3fg4 h GLN 896 Ca 0.10 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 3fg4 h GLN 896 Cb 0.35 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3fg4 h GLN 896 CO 0.01 0.47 0.24 0.77 -0.95 0.00 0.00 178.83 179.37 3fg4 h SER 897 N 0.21 0.63 -0.13 1.46 0.02 -0.71 -1.94 113.55 113.08 3fg4 h SER 897 Ca 0.08 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3fg4 h SER 897 Cb 0.26 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 3fg4 h SER 897 CO -0.00 0.54 0.08 -0.25 -1.14 0.00 0.00 176.83 176.06 3fg4 h TRP 898 N 0.70 0.17 0.04 3.45 7.01 -0.82 0.15 115.95 126.65 3fg4 h TRP 898 Ca 0.18 0.00 -0.22 0.00 2.11 0.00 0.00 58.89 60.96 3fg4 h TRP 898 Cb 0.07 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3fg4 h TRP 898 CO 0.01 0.13 -1.01 0.97 -2.79 0.00 0.00 178.44 175.74 3fg4 h ILE 899 N 0.16 1.58 -0.54 2.65 6.09 -1.32 -3.05 117.51 123.08 3fg4 h ILE 899 Ca 0.05 -3.02 -0.10 0.00 -1.37 0.00 0.00 64.86 60.42 3fg4 h ILE 899 Cb 0.00 2.73 -0.02 0.00 0.47 0.00 0.00 36.82 40.00 3fg4 h ILE 899 CO -0.01 0.87 -0.06 0.22 -3.07 0.00 0.00 178.15 176.11 3fg4 h TYR 900 N 0.06 1.10 -0.68 2.19 3.20 -1.22 0.10 116.97 121.72 3fg4 h TYR 900 Ca -0.06 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.57 3fg4 h TYR 900 Cb 1.72 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.68 3fg4 h TYR 900 CO 0.03 1.01 0.28 0.22 -1.64 0.00 0.00 178.16 178.06 3fg4 h ASP 901 N 0.87 0.90 0.24 -2.11 3.58 -0.73 0.03 116.42 119.21 3fg4 h ASP 901 Ca 0.15 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 3fg4 h ASP 901 Cb 0.61 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 3fg4 h ASP 901 CO 0.04 0.80 -0.60 0.58 -2.88 0.00 0.00 179.24 177.18 3fg4 h VAL 902 N 0.97 1.36 -0.18 2.25 2.07 -1.27 -1.63 116.25 119.82 3fg4 h VAL 902 Ca 0.23 -1.93 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3fg4 h VAL 902 Cb 0.17 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3fg4 h VAL 902 CO -0.02 0.58 0.06 -0.74 0.02 0.00 0.00 177.57 177.47 3fg4 h HIS 903 N 0.27 0.29 0.02 1.57 -0.00 -0.06 0.13 115.15 117.38 3fg4 h HIS 903 Ca -0.00 -0.03 -0.27 0.00 -0.00 0.00 0.00 60.37 60.06 3fg4 h HIS 903 Cb 1.12 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.41 3fg4 h HIS 903 CO 0.03 0.37 -1.49 1.17 -0.00 0.00 0.00 177.93 178.01 3fg4 n LYS 904 N -4.82 0.60 0.00 5.26 3.00 -0.07 -4.53 118.16 117.60 3fg4 n LYS 904 Ca -0.04 0.50 0.09 0.00 -0.00 0.00 0.00 58.31 58.85 3fg4 n LYS 904 Cb 0.14 -1.72 -0.04 0.00 0.00 0.00 0.00 35.03 33.41 3fg4 n LYS 904 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3fg4 n ASN 905 N -4.24 1.39 -0.03 3.14 5.03 -0.65 -4.61 115.26 115.28 3fg4 n ASN 905 Ca -0.34 -1.19 -0.03 0.00 0.87 0.00 0.00 54.58 53.89 3fg4 n ASN 905 Cb 0.76 0.68 -0.01 0.00 -1.02 0.00 0.00 39.78 40.19 3fg4 n ASN 905 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fg4 n GLY 906 N 1.30 -0.42 3.18 7.41 0.00 -0.45 -4.51 105.19 111.70 3fg4 n GLY 906 Ca 0.06 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3fg4 n GLY 906 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3fg4 n TRP 907 N -3.22 4.47 -2.34 1.61 7.02 0.34 -0.55 117.44 124.76 3fg4 n TRP 907 Ca -0.05 -3.85 -0.42 0.00 -1.02 0.00 0.00 57.50 52.16 3fg4 n TRP 907 Cb 0.18 -1.40 -0.03 0.00 -2.42 0.00 0.00 31.31 27.64 3fg4 n TRP 907 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3fg4 s ARG 908 N -1.56 4.32 -1.11 -0.99 0.52 -1.26 -4.81 118.95 114.06 3fg4 s ARG 908 Ca 0.30 1.81 -0.22 0.00 -0.52 0.00 0.00 55.73 57.10 3fg4 s ARG 908 Cb -0.06 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.83 3fg4 s ARG 908 CO -0.07 -0.51 1.78 0.08 0.02 0.00 0.00 175.30 176.59 3fg4 s VAL 909 N 2.32 3.75 0.63 3.52 1.01 -1.26 -4.96 120.40 125.41 3fg4 s VAL 909 Ca 0.60 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3fg4 s VAL 909 Cb -0.28 -4.70 0.08 0.00 0.00 0.00 0.00 36.38 31.48 3fg4 s VAL 909 CO 0.24 -1.46 0.88 0.20 0.00 0.00 0.00 175.10 174.97 3fg4 s ASN 910 N 5.96 4.84 0.10 3.32 0.01 -1.26 -4.94 114.94 122.96 3fg4 s ASN 910 Ca 0.60 -0.16 -0.33 0.00 -0.71 0.00 0.00 52.86 52.26 3fg4 s ASN 910 Cb -0.01 -0.48 -0.13 0.00 0.41 0.00 0.00 41.25 41.04 3fg4 s ASN 910 CO 0.03 -1.49 1.70 -2.65 -1.51 0.00 0.00 177.10 173.18 3fg4 n PRO 911 N -2.59 2.29 -0.27 -0.60 -0.02 -1.26 -1.70 135.00 130.84 3fg4 n PRO 911 Ca 0.11 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3fg4 n PRO 911 Cb 0.60 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3fg4 n PRO 911 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fg4 n GLY 912 N 3.80 0.75 3.87 -1.23 0.00 -1.26 -5.06 105.19 106.07 3fg4 n GLY 912 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3fg4 n GLY 912 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fg4 s HIS 913 N -2.26 3.61 0.85 1.61 3.76 -0.69 -4.94 115.29 117.24 3fg4 s HIS 913 Ca 0.00 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.45 3fg4 s HIS 913 Cb 0.00 -2.04 0.10 0.00 1.11 0.00 0.00 32.58 31.76 3fg4 s HIS 913 CO 0.00 0.66 1.09 -0.65 -0.85 0.00 0.00 174.74 174.99 3fg4 s GLN 914 N -1.40 1.62 0.35 1.40 -1.52 -0.58 -4.85 119.66 114.67 3fg4 s GLN 914 Ca 0.23 0.93 -0.28 0.00 -1.95 0.00 0.00 55.36 54.29 3fg4 s GLN 914 Cb -0.14 -1.84 -0.12 0.00 -0.22 0.00 0.00 33.01 30.69 3fg4 s GLN 914 CO 0.12 -2.02 1.39 -3.47 -0.25 0.00 0.00 175.29 171.06 3fg4 n ASP 915 N -3.75 3.23 -1.44 5.90 2.03 -1.26 -4.85 116.55 116.42 3fg4 n ASP 915 Ca 0.08 1.21 0.11 0.00 0.52 0.00 0.00 54.79 56.71 3fg4 n ASP 915 Cb 0.55 -1.54 0.34 0.00 -0.72 0.00 0.00 41.12 39.74 3fg4 n ASP 915 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3fg4 n HIS 916 N 0.51 1.12 -1.17 -0.67 8.25 -1.26 -4.62 115.22 117.38 3fg4 n HIS 916 Ca 0.04 -0.53 -0.06 0.00 -0.26 0.00 0.00 57.72 56.91 3fg4 n HIS 916 Cb 0.37 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 3fg4 n HIS 916 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fg4 n GLY 917 N 1.57 0.68 3.60 -1.41 0.00 -1.26 -1.10 105.19 107.27 3fg4 n GLY 917 Ca 0.25 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3fg4 n GLY 917 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg4 s VAL 918 N -1.76 5.11 0.81 1.61 1.01 -1.26 -4.56 120.40 121.35 3fg4 s VAL 918 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 3fg4 s VAL 918 Cb 0.00 -3.79 0.08 0.00 0.00 0.00 0.00 36.38 32.66 3fg4 s VAL 918 CO 0.00 0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 3fg4 s PRO 919 N 2.21 1.98 0.15 2.72 0.04 -1.26 -4.80 135.00 136.05 3fg4 s PRO 919 Ca 0.18 1.09 0.23 0.00 0.04 0.00 0.00 61.00 62.54 3fg4 s PRO 919 Cb -0.16 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.60 3fg4 s PRO 919 CO 0.10 -1.81 1.10 0.00 0.04 0.00 0.00 177.00 176.43 3fg4 n ALA 920 N -3.63 2.76 -3.13 8.56 0.00 -1.26 -4.50 120.51 119.31 3fg4 n ALA 920 Ca 0.09 -0.27 -0.11 0.00 0.00 0.00 0.00 53.44 53.15 3fg4 n ALA 920 Cb 0.53 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 3fg4 n ALA 920 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fg4 s SER 921 N -4.84 0.32 -0.15 0.00 1.04 -1.26 -4.19 113.70 104.61 3fg4 s SER 921 Ca 0.02 -1.18 -0.04 0.00 0.48 0.00 0.00 55.95 55.22 3fg4 s SER 921 Cb 0.11 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.85 3fg4 s SER 921 CO 0.78 -1.27 -0.01 -0.36 0.98 0.00 0.00 173.24 173.36 3fg4 s PHE 922 N -3.43 3.09 -0.11 5.02 0.40 -1.26 -5.01 117.98 116.68 3fg4 s PHE 922 Ca 0.25 -0.14 0.20 0.00 -0.60 0.00 0.00 56.93 56.64 3fg4 s PHE 922 Cb -0.01 -1.95 -0.29 0.00 0.51 0.00 0.00 43.02 41.27 3fg4 s PHE 922 CO 0.14 0.09 0.27 0.39 0.70 0.00 0.00 175.22 176.81 3fg4 n GLU 923 N 3.30 0.68 -4.00 0.44 1.02 -1.26 -4.26 120.64 116.57 3fg4 n GLU 923 Ca -0.17 -0.10 -0.08 0.00 -0.02 0.00 0.00 57.16 56.78 3fg4 n GLU 923 Cb 0.53 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 3fg4 n GLU 923 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3fg4 s SER 924 N -4.99 0.28 0.29 1.62 1.04 -1.26 -4.73 113.70 105.94 3fg4 s SER 924 Ca -0.09 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3fg4 s SER 924 Cb 0.10 0.29 0.51 0.00 0.10 0.00 0.00 66.02 67.02 3fg4 s SER 924 CO 0.86 -0.70 1.88 0.03 0.98 0.00 0.00 173.24 176.29 3fg4 h ARG 925 N 2.90 1.03 -0.69 4.02 3.08 -1.87 -2.05 114.38 120.79 3fg4 h ARG 925 Ca -0.34 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.59 3fg4 h ARG 925 Cb 1.18 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.97 3fg4 h ARG 925 CO 0.59 0.68 0.20 0.93 -1.07 0.00 0.00 179.97 181.31 3fg4 h GLU 926 N 1.06 1.07 -0.10 0.04 3.07 -1.99 -0.91 114.58 116.83 3fg4 h GLU 926 Ca 0.44 -0.23 -0.11 0.00 -0.50 0.00 0.00 59.36 58.96 3fg4 h GLU 926 Cb 0.29 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3fg4 h GLU 926 CO -0.19 0.92 -0.37 0.37 -1.40 0.00 0.00 179.01 178.34 3fg4 h GLN 927 N 1.03 0.42 -0.81 2.33 4.15 -1.91 -1.66 115.11 118.66 3fg4 h GLN 927 Ca 0.22 -0.32 0.11 0.00 0.77 0.00 0.00 58.65 59.44 3fg4 h GLN 927 Cb 0.31 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.98 3fg4 h GLN 927 CO -0.01 0.95 0.43 1.25 -1.93 0.00 0.00 178.83 179.52 3fg4 h LEU 928 N -0.03 0.57 0.02 -2.39 5.85 -1.11 -2.20 115.31 116.02 3fg4 h LEU 928 Ca -0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fg4 h LEU 928 Cb 1.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3fg4 h LEU 928 CO 0.08 0.30 -0.12 0.50 -0.34 0.00 0.00 178.44 178.85 3fg4 h LYS 929 N 0.68 -0.21 -0.76 1.25 3.64 -1.13 -1.05 116.57 119.00 3fg4 h LYS 929 Ca 0.41 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.85 3fg4 h LYS 929 Cb 0.47 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 3fg4 h LYS 929 CO -0.29 -0.14 0.47 1.49 -2.27 0.00 0.00 179.45 178.71 3fg4 h GLU 930 N -0.21 0.86 -0.01 1.90 4.81 -0.93 0.17 114.58 121.16 3fg4 h GLU 930 Ca 0.04 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3fg4 h GLU 930 Cb 0.26 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3fg4 h GLU 930 CO -0.11 0.57 -0.50 0.28 -0.73 0.00 0.00 179.01 178.52 3fg4 h VAL 931 N 0.89 1.45 -0.82 0.32 2.07 -1.33 -0.27 116.25 118.57 3fg4 h VAL 931 Ca 0.32 -2.01 0.01 0.00 0.82 0.00 0.00 66.70 65.83 3fg4 h VAL 931 Cb 0.10 2.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3fg4 h VAL 931 CO -0.14 0.58 0.53 -0.07 0.02 0.00 0.00 177.57 178.49 3fg4 h LEU 932 N -0.18 0.95 -0.34 2.57 3.38 -0.95 -1.61 115.31 119.12 3fg4 h LEU 932 Ca -0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3fg4 h LEU 932 Cb 1.21 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3fg4 h LEU 932 CO 0.10 0.70 -0.09 0.74 0.09 0.00 0.00 178.44 179.98 3fg4 h THR 933 N 1.12 1.28 -0.93 0.22 2.02 -0.59 -0.87 112.91 115.15 3fg4 h THR 933 Ca 0.30 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.39 3fg4 h THR 933 Cb -0.11 1.33 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 3fg4 h THR 933 CO -0.06 0.38 0.60 0.28 0.37 0.00 0.00 175.52 177.09 3fg4 h SER 934 N 0.45 0.94 0.01 4.18 0.02 -0.47 -0.95 113.55 117.73 3fg4 h SER 934 Ca 0.09 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fg4 h SER 934 Cb 0.60 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3fg4 h SER 934 CO 0.04 0.60 -0.00 0.25 -1.14 0.00 0.00 176.83 176.57 3fg4 h LEU 935 N 1.06 -0.01 -1.03 5.07 5.85 -1.01 -2.38 115.31 122.87 3fg4 h LEU 935 Ca 0.40 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 3fg4 h LEU 935 Cb 0.19 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3fg4 h LEU 935 CO -0.15 0.67 0.17 0.58 -0.34 0.00 0.00 178.44 179.37 3fg4 h VAL 936 N -0.70 1.22 -0.62 1.05 2.07 -1.10 -1.05 116.25 117.12 3fg4 h VAL 936 Ca -0.00 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3fg4 h VAL 936 Cb 0.68 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3fg4 h VAL 936 CO 0.00 0.30 0.06 0.15 0.02 0.00 0.00 177.57 178.10 3fg4 h PHE 937 N 0.84 1.13 0.25 1.57 3.57 -1.23 -2.37 116.94 120.70 3fg4 h PHE 937 Ca 0.19 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3fg4 h PHE 937 Cb 0.26 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3fg4 h PHE 937 CO 0.02 0.97 -0.12 1.15 -2.23 0.00 0.00 178.31 178.10 3fg4 h THR 938 N 0.95 0.81 -0.80 4.41 2.02 -0.91 0.15 112.91 119.53 3fg4 h THR 938 Ca 0.18 -0.35 0.15 0.00 0.77 0.00 0.00 66.41 67.16 3fg4 h THR 938 Cb 0.48 1.01 -0.10 0.00 -1.74 0.00 0.00 68.15 67.80 3fg4 h THR 938 CO 0.02 0.08 0.36 -0.26 0.37 0.00 0.00 175.52 176.08 3fg4 h PHE 939 N -0.51 0.61 0.00 3.16 0.05 -1.18 -1.72 116.94 117.34 3fg4 h PHE 939 Ca -0.03 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3fg4 h PHE 939 Cb 0.38 -0.15 0.00 0.00 2.00 0.00 0.00 35.95 38.18 3fg4 h PHE 939 CO -0.01 0.09 0.00 -1.13 -0.18 0.00 0.00 178.31 177.08 3fg4 n SER 940 N -4.97 0.00 -0.04 2.17 3.41 -0.90 -2.82 113.62 110.48 3fg4 n SER 940 Ca 0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.65 3fg4 n SER 940 Cb 0.45 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 3fg4 n SER 940 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg4 h GLN 942 N -0.14 -0.37 -0.74 0.00 5.75 -0.93 0.01 115.11 118.68 3fg4 h GLN 942 Ca 0.02 0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.61 3fg4 h GLN 942 Cb 0.48 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.05 3fg4 h GLN 942 CO 0.01 -0.25 0.42 1.25 -2.65 0.00 0.00 178.83 177.62 3fg4 h HIS 943 N -0.39 0.78 -0.38 3.99 2.76 -1.30 -2.07 115.15 118.54 3fg4 h HIS 943 Ca -0.01 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3fg4 h HIS 943 Cb 0.35 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 3fg4 h HIS 943 CO -0.13 0.37 0.16 0.00 -1.30 0.00 0.00 177.93 177.03 3fg4 h ALA 944 N 1.38 0.45 -0.16 5.26 0.00 -0.74 0.68 119.26 126.13 3fg4 h ALA 944 Ca 0.33 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 3fg4 h ALA 944 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fg4 h ALA 944 CO -0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 178.79 3fg4 h ALA 945 N 1.22 1.63 0.00 0.00 0.00 -0.37 -0.02 119.26 121.72 3fg4 h ALA 945 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fg4 h ALA 945 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fg4 h ALA 945 CO -0.15 0.27 -1.56 1.33 0.00 0.00 0.00 179.25 179.14 3fg4 n VAL 946 N -4.36 0.00 -0.07 0.00 0.24 -0.84 -4.24 118.33 109.07 3fg4 n VAL 946 Ca -0.01 -0.31 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 3fg4 n VAL 946 Cb 0.20 0.38 -0.02 0.00 -1.47 0.00 0.00 33.84 32.93 3fg4 n VAL 946 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3fg4 n ASN 947 N -1.94 1.61 0.00 -1.34 2.85 0.24 -4.58 115.26 112.11 3fg4 n ASN 947 Ca -0.01 0.45 0.09 0.00 -0.11 0.00 0.00 54.58 54.99 3fg4 n ASN 947 Cb 0.44 -0.77 0.44 0.00 1.24 0.00 0.00 39.78 41.13 3fg4 n ASN 947 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3fg4 n PHE 948 N -4.25 0.00 1.15 1.20 3.01 -0.06 -1.87 117.46 116.64 3fg4 n PHE 948 Ca -0.09 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.50 3fg4 n PHE 948 Cb 0.33 -0.34 0.64 0.00 -0.01 0.00 0.00 39.48 40.10 3fg4 n PHE 948 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3fg4 n SER 949 N -1.34 0.00 0.18 4.37 3.41 -1.24 -4.23 113.62 114.77 3fg4 n SER 949 Ca 0.08 0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3fg4 n SER 949 Cb 0.16 -0.37 0.32 0.00 -0.26 0.00 0.00 64.21 64.06 3fg4 n SER 949 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fg4 h GLN 950 N 0.00 0.00 0.37 4.33 4.20 -1.63 -3.06 115.11 119.32 3fg4 h GLN 950 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3fg4 h GLN 950 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3fg4 h GLN 950 CO 0.00 0.42 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.19 3fg4 h LYS 951 N 0.00 -0.47 -0.74 1.46 3.11 -1.83 0.18 116.57 118.27 3fg4 h LYS 951 Ca -0.00 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 57.94 3fg4 h LYS 951 Cb 0.88 0.11 -0.05 0.00 -1.00 0.00 0.00 32.23 32.17 3fg4 h LYS 951 CO 0.05 -0.27 0.48 -0.44 -2.81 0.00 0.00 179.45 176.47 3fg4 h ASP 952 N -0.56 0.67 0.06 4.20 3.45 -1.87 0.13 116.42 122.50 3fg4 h ASP 952 Ca -0.05 0.01 -0.14 0.00 0.43 0.00 0.00 57.03 57.27 3fg4 h ASP 952 Cb 0.42 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 3fg4 h ASP 952 CO 0.08 0.43 -0.70 -0.74 -1.57 0.00 0.00 179.24 176.74 3fg4 h HIS 953 N 0.76 0.23 0.00 4.55 2.76 -1.42 -3.35 115.15 118.67 3fg4 h HIS 953 Ca 0.32 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 3fg4 h HIS 953 Cb 0.28 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.23 3fg4 h HIS 953 CO -0.00 1.27 -1.24 0.66 -1.30 0.00 0.00 177.93 177.33 3fg4 n TYR 954 N -4.32 0.00 -0.24 5.26 4.02 0.61 -4.11 117.16 118.39 3fg4 n TYR 954 Ca -0.18 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.76 3fg4 n TYR 954 Cb 0.69 -0.17 0.17 0.00 -0.02 0.00 0.00 39.34 40.00 3fg4 n TYR 954 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3fg4 h GLY 955 N 3.66 1.04 -7.21 2.72 0.00 -0.83 -3.15 103.07 99.31 3fg4 h GLY 955 Ca 0.00 -0.11 -0.69 0.00 0.00 0.00 0.00 47.33 46.54 3fg4 h GLY 955 CO 0.00 -0.11 0.24 -0.12 0.00 0.00 0.00 176.54 176.55 3fg4 s PHE 956 N -6.04 2.94 0.28 5.60 5.36 -1.26 -4.59 117.98 120.26 3fg4 s PHE 956 Ca -0.13 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 54.95 3fg4 s PHE 956 Cb 0.20 -4.09 0.64 0.00 -0.34 0.00 0.00 43.02 39.43 3fg4 s PHE 956 CO 0.76 -1.38 1.71 1.15 -1.46 0.00 0.00 175.22 176.00 3fg4 h THR 957 N 5.91 0.54 0.00 0.12 2.02 -1.85 0.35 112.91 120.00 3fg4 h THR 957 Ca -0.27 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3fg4 h THR 957 Cb 1.08 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3fg4 h THR 957 CO 1.11 0.08 0.00 -0.65 0.37 0.00 0.00 175.52 176.43 3fg4 h PRO 958 N 0.43 0.00 -0.13 6.66 0.11 -1.91 -0.50 132.00 136.66 3fg4 h PRO 958 Ca 0.51 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.53 3fg4 h PRO 958 Cb 0.91 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3fg4 h PRO 958 CO -0.49 0.00 -0.34 -0.97 -0.21 0.00 0.00 178.00 175.99 3fg4 h ASN 959 N 0.00 0.26 -0.47 -2.05 -0.73 -1.21 -3.42 115.58 107.97 3fg4 h ASN 959 Ca 0.00 -0.10 -0.15 0.00 1.87 0.00 0.00 56.30 57.93 3fg4 h ASN 959 Cb 0.08 -0.07 -0.15 0.00 0.27 0.00 0.00 38.32 38.45 3fg4 h ASN 959 CO 0.00 0.59 -0.41 0.00 -0.37 0.00 0.00 177.43 177.24 3fg4 n ALA 960 N -2.48 -2.10 -1.77 1.57 0.00 -0.24 -5.00 120.51 110.48 3fg4 n ALA 960 Ca -0.01 -0.96 -0.35 0.00 0.00 0.00 0.00 53.44 52.12 3fg4 n ALA 960 Cb 0.43 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3fg4 n ALA 960 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fg4 s PRO 961 N 0.76 3.35 0.00 0.00 0.04 -0.90 -4.84 135.00 133.41 3fg4 s PRO 961 Ca 0.30 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.95 3fg4 s PRO 961 Cb 0.11 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.65 3fg4 s PRO 961 CO -0.13 -0.85 0.00 0.00 0.04 0.00 0.00 177.00 176.06 3fg4 n ALA 962 N -1.30 1.73 -2.57 8.56 0.00 -1.26 -3.23 120.51 122.44 3fg4 n ALA 962 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 3fg4 n ALA 962 Cb 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 3fg4 n ALA 962 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3fg4 s ILE 963 N -0.97 1.31 0.05 0.00 1.01 -1.26 -0.51 121.20 120.83 3fg4 s ILE 963 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.73 3fg4 s ILE 963 Cb 0.00 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 3fg4 s ILE 963 CO 0.00 0.15 -0.17 -0.76 0.00 0.00 0.00 174.94 174.16 3fg4 s LEU 964 N -0.97 2.19 0.00 2.97 1.43 -1.22 -3.82 118.68 119.27 3fg4 s LEU 964 Ca 0.04 -0.52 0.17 0.00 -1.03 0.00 0.00 54.13 52.79 3fg4 s LEU 964 Cb -0.08 -0.76 -0.05 0.00 0.03 0.00 0.00 46.19 45.33 3fg4 s LEU 964 CO 0.01 0.07 0.83 0.54 0.23 0.00 0.00 176.35 178.03 3fg4 n ARG 965 N 1.74 1.64 -4.25 1.70 1.74 0.13 -1.53 116.66 117.82 3fg4 n ARG 965 Ca -0.18 -0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 56.15 3fg4 n ARG 965 Cb 0.54 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 3fg4 n ARG 965 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3fg4 s HIS 966 N -2.12 1.26 0.91 -1.55 3.76 -1.26 -4.83 115.29 111.46 3fg4 s HIS 966 Ca 0.12 -0.84 -0.13 0.00 -0.15 0.00 0.00 55.06 54.06 3fg4 s HIS 966 Cb 0.13 -0.68 0.14 0.00 1.11 0.00 0.00 32.58 33.28 3fg4 s HIS 966 CO 0.49 -0.00 1.16 -1.25 -0.85 0.00 0.00 174.74 174.29 3fg4 s PRO 967 N -3.80 1.16 1.02 8.40 0.04 -1.26 -4.83 135.00 135.74 3fg4 s PRO 967 Ca 0.19 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 3fg4 s PRO 967 Cb 0.04 -1.85 0.20 0.00 0.04 0.00 0.00 34.50 32.92 3fg4 s PRO 967 CO 0.02 -2.16 1.08 -1.25 0.04 0.00 0.00 177.00 174.73 3fg4 s PRO 968 N -5.41 0.27 0.39 0.56 0.04 -1.26 -5.00 135.00 124.59 3fg4 s PRO 968 Ca 0.65 0.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 3fg4 s PRO 968 Cb -0.13 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 3fg4 s PRO 968 CO 0.52 -2.88 0.87 -1.25 0.04 0.00 0.00 177.00 174.30 3fg4 s PRO 969 N -4.83 4.14 0.00 0.56 0.04 -1.26 -4.98 135.00 128.66 3fg4 s PRO 969 Ca 0.66 0.94 0.24 0.00 0.04 0.00 0.00 61.00 62.87 3fg4 s PRO 969 Cb -0.20 -2.28 0.23 0.00 0.04 0.00 0.00 34.50 32.30 3fg4 s PRO 969 CO 0.59 0.04 1.25 1.63 0.04 0.00 0.00 177.00 180.55 3fg4 n LYS 970 N -0.55 1.43 -3.70 4.56 4.01 -1.26 -4.74 118.16 117.92 3fg4 n LYS 970 Ca 0.06 -1.12 -0.11 0.00 -0.51 0.00 0.00 58.31 56.63 3fg4 n LYS 970 Cb 0.54 -1.48 -0.06 0.00 -0.51 0.00 0.00 35.03 33.52 3fg4 n LYS 970 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 3fg4 s LYS 971 N -2.34 0.96 0.94 1.97 -2.85 -1.26 -4.04 119.74 113.12 3fg4 s LYS 971 Ca 0.23 -0.64 -0.13 0.00 -1.00 0.00 0.00 55.97 54.43 3fg4 s LYS 971 Cb 0.19 0.42 0.16 0.00 -2.06 0.00 0.00 37.83 36.53 3fg4 s LYS 971 CO 0.49 -0.35 1.15 0.15 0.10 0.00 0.00 175.35 176.90 3fg4 s LYS 972 N -3.32 0.86 0.00 1.78 1.02 -1.26 -4.40 119.74 114.41 3fg4 s LYS 972 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.17 3fg4 s LYS 972 Cb 0.01 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 3fg4 s LYS 972 CO -0.08 -2.37 0.00 0.41 -0.92 0.00 0.00 175.35 172.39 3fg4 n GLY 973 N -2.26 0.57 0.97 -3.33 0.00 -1.26 -4.91 105.19 94.97 3fg4 n GLY 973 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3fg4 n GLY 973 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3fg4 n GLU 974 N -1.92 2.29 -2.71 1.61 -0.00 -1.26 -4.97 120.64 113.68 3fg4 n GLU 974 Ca 0.00 -1.96 -0.42 0.00 -0.00 0.00 0.00 57.16 54.78 3fg4 n GLU 974 Cb 0.06 -1.46 -0.03 0.00 -0.00 0.00 0.00 31.44 30.01 3fg4 n GLU 974 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3fg4 s ALA 975 N -1.87 3.51 0.27 -1.84 0.00 -1.26 -4.98 121.76 115.58 3fg4 s ALA 975 Ca 0.29 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.61 3fg4 s ALA 975 Cb 0.20 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3fg4 s ALA 975 CO 0.30 -0.76 -0.01 0.95 0.00 0.00 0.00 175.76 176.24 3fg4 s THR 976 N 2.42 3.39 0.25 0.00 -4.23 -1.26 -4.63 115.64 111.58 3fg4 s THR 976 Ca 0.46 -1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 3fg4 s THR 976 Cb -0.17 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.08 3fg4 s THR 976 CO 0.13 -0.37 1.71 0.25 -0.54 0.00 0.00 174.62 175.80 3fg4 h LEU 977 N 1.90 0.20 -0.14 4.79 5.85 -1.97 0.13 115.31 126.06 3fg4 h LEU 977 Ca -0.44 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.45 3fg4 h LEU 977 Cb 1.25 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 3fg4 h LEU 977 CO 0.60 0.05 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.98 3fg4 h GLN 978 N 0.38 -0.18 -0.54 1.25 5.75 -1.95 -1.88 115.11 117.94 3fg4 h GLN 978 Ca 0.43 0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.84 3fg4 h GLN 978 Cb 0.69 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3fg4 h GLN 978 CO -0.45 -0.12 -0.05 0.66 -2.65 0.00 0.00 178.83 176.22 3fg4 h SER 979 N -0.19 0.99 -0.66 -0.69 4.64 -1.60 -2.32 113.55 113.71 3fg4 h SER 979 Ca 0.10 -0.33 0.13 0.00 -0.47 0.00 0.00 61.79 61.22 3fg4 h SER 979 Cb 0.34 -0.27 -0.09 0.00 -0.31 0.00 0.00 62.40 62.07 3fg4 h SER 979 CO -0.26 1.08 0.17 0.40 -0.87 0.00 0.00 176.83 177.35 3fg4 h ILE 980 N 0.87 0.61 0.00 0.95 2.04 -0.68 -2.72 117.51 118.58 3fg4 h ILE 980 Ca 0.15 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3fg4 h ILE 980 Cb 0.61 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3fg4 h ILE 980 CO 0.04 0.05 -0.39 -0.07 0.00 0.00 0.00 178.15 177.78 3fg4 h LEU 981 N 0.29 0.00 0.00 1.44 3.38 -0.78 0.18 115.31 119.82 3fg4 h LEU 981 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 3fg4 h LEU 981 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3fg4 h LEU 981 CO -0.43 0.39 -0.26 -1.54 0.09 0.00 0.00 178.44 176.69 3fg4 n SER 982 N -3.73 0.54 -0.06 -0.43 3.41 -1.09 -3.55 113.62 108.71 3fg4 n SER 982 Ca -0.01 0.29 -0.18 0.00 -0.26 0.00 0.00 58.87 58.71 3fg4 n SER 982 Cb 0.47 -0.28 -0.13 0.00 -0.26 0.00 0.00 64.21 64.01 3fg4 n SER 982 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3fg4 n THR 983 N -1.92 1.62 -0.83 6.66 -1.04 -0.33 -4.55 114.28 113.89 3fg4 n THR 983 Ca 0.05 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.05 61.11 3fg4 n THR 983 Cb 0.40 -1.46 0.15 0.00 -1.82 0.00 0.00 70.33 67.59 3fg4 n THR 983 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3fg4 s LEU 984 N -6.65 2.82 0.58 -4.42 1.43 0.48 0.17 118.68 113.09 3fg4 s LEU 984 Ca -0.26 2.08 -0.20 0.00 -1.03 0.00 0.00 54.13 54.73 3fg4 s LEU 984 Cb 0.08 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 3fg4 s LEU 984 CO 0.71 -2.89 1.15 -2.65 0.23 0.00 0.00 176.35 172.89 3fg4 n PRO 985 N -4.09 1.21 -0.74 1.29 -0.02 -1.25 -4.61 135.00 126.80 3fg4 n PRO 985 Ca 0.11 0.46 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 3fg4 n PRO 985 Cb 0.52 -2.35 0.24 0.00 -0.02 0.00 0.00 33.50 31.89 3fg4 n PRO 985 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3fg4 s SER 986 N -1.13 1.13 0.14 2.55 1.04 -1.26 -4.74 113.70 111.43 3fg4 s SER 986 Ca 0.75 1.27 -0.17 0.00 0.48 0.00 0.00 55.95 58.28 3fg4 s SER 986 Cb -0.42 -1.96 0.01 0.00 0.10 0.00 0.00 66.02 63.74 3fg4 s SER 986 CO 0.47 -4.07 1.78 0.50 0.98 0.00 0.00 173.24 172.90 3fg4 h LYS 987 N -2.54 0.34 -0.22 4.02 3.64 -1.98 0.28 116.57 120.12 3fg4 h LYS 987 Ca -0.58 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.74 3fg4 h LYS 987 Cb 1.34 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 3fg4 h LYS 987 CO 0.50 0.23 -0.03 0.66 -2.27 0.00 0.00 179.45 178.54 3fg4 h SER 988 N 0.35 0.40 -1.00 4.20 4.64 -1.99 -1.06 113.55 119.10 3fg4 h SER 988 Ca 0.13 -0.34 0.17 0.00 -0.47 0.00 0.00 61.79 61.28 3fg4 h SER 988 Cb 0.03 -0.11 -0.10 0.00 -0.31 0.00 0.00 62.40 61.91 3fg4 h SER 988 CO -0.08 0.64 0.61 1.56 -0.87 0.00 0.00 176.83 178.70 3fg4 h GLN 989 N 0.15 0.79 -0.17 4.77 4.20 -1.86 -0.65 115.11 122.34 3fg4 h GLN 989 Ca 0.06 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3fg4 h GLN 989 Cb 0.45 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3fg4 h GLN 989 CO 0.02 0.52 -0.40 0.00 -0.67 0.00 0.00 178.83 178.30 3fg4 h ALA 990 N 1.62 0.28 -0.37 3.87 0.00 -0.58 -2.69 119.26 121.37 3fg4 h ALA 990 Ca 0.56 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3fg4 h ALA 990 Cb 0.79 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3fg4 h ALA 990 CO -0.35 0.38 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 3fg4 h ALA 991 N 0.56 0.33 -0.90 0.00 0.00 -0.75 -2.17 119.26 116.34 3fg4 h ALA 991 Ca -0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fg4 h ALA 991 Cb 1.01 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3fg4 h ALA 991 CO 0.09 -0.40 0.54 0.87 0.00 0.00 0.00 179.25 180.34 3fg4 h LYS 992 N 0.09 1.23 -0.97 0.00 1.57 -1.16 -0.87 116.57 116.47 3fg4 h LYS 992 Ca 0.18 -0.12 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3fg4 h LYS 992 Cb 0.26 -0.26 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3fg4 h LYS 992 CO -0.31 0.87 0.62 0.00 -0.57 0.00 0.00 179.45 180.06 3fg4 h ALA 993 N 1.29 1.54 0.01 3.86 0.00 -1.23 -0.64 119.26 124.09 3fg4 h ALA 993 Ca 0.32 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.03 3fg4 h ALA 993 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3fg4 h ALA 993 CO -0.06 0.26 -0.89 0.82 0.00 0.00 0.00 179.25 179.38 3fg4 h ILE 994 N 1.00 1.50 0.29 0.00 2.04 -0.67 -1.60 117.51 120.07 3fg4 h ILE 994 Ca 0.45 -2.65 -0.01 0.00 1.00 0.00 0.00 64.86 63.65 3fg4 h ILE 994 Cb 0.39 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3fg4 h ILE 994 CO -0.21 0.77 -0.15 0.00 0.00 0.00 0.00 178.15 178.56 3fg4 h ALA 995 N 0.96 -0.41 -0.54 1.87 0.00 -0.88 -0.56 119.26 119.70 3fg4 h ALA 995 Ca -0.05 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3fg4 h ALA 995 Cb 1.53 0.17 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 3fg4 h ALA 995 CO 0.14 -0.73 0.04 1.15 0.00 0.00 0.00 179.25 179.85 3fg4 h THR 996 N -0.41 0.61 -0.73 0.00 2.02 -1.05 -0.15 112.91 113.19 3fg4 h THR 996 Ca -0.04 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3fg4 h THR 996 Cb 0.33 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 3fg4 h THR 996 CO 0.05 0.03 0.46 0.58 0.37 0.00 0.00 175.52 177.01 3fg4 h VAL 997 N 0.16 1.20 -0.17 3.16 2.07 -1.14 0.31 116.25 121.84 3fg4 h VAL 997 Ca 0.28 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3fg4 h VAL 997 Cb 0.42 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3fg4 h VAL 997 CO -0.42 0.20 0.06 0.22 0.02 0.00 0.00 177.57 177.65 3fg4 h TYR 998 N 1.00 0.26 -0.35 1.57 3.20 0.61 -1.61 116.97 121.65 3fg4 h TYR 998 Ca 0.27 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3fg4 h TYR 998 Cb -0.08 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3fg4 h TYR 998 CO 0.00 0.33 0.14 0.82 -1.64 0.00 0.00 178.16 177.82 3fg4 h ILE 999 N 0.11 1.18 0.00 1.81 2.04 -0.91 -2.87 117.51 118.87 3fg4 h ILE 999 Ca 0.06 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.35 3fg4 h ILE 999 Cb 0.19 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3fg4 h ILE 999 CO -0.00 0.20 0.00 0.18 0.00 0.00 0.00 178.15 178.53 3fg4 n LEU 1000N -4.70 0.67 -0.50 1.44 4.77 0.07 -3.25 117.00 115.50 3fg4 n LEU 1000Ca -0.01 0.62 0.05 0.00 -0.03 0.00 0.00 56.01 56.64 3fg4 n LEU 1000Cb 0.14 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3fg4 n LEU 1000CO 0.36 -0.37 0.61 0.35 -1.33 0.00 0.00 177.39 177.01 3fg4 n THR 1001N -2.19 1.25 -2.53 -5.08 -2.24 -0.62 -4.87 114.28 98.01 3fg4 n THR 1001Ca 0.04 -1.21 -0.43 0.00 -2.27 0.00 0.00 64.05 60.18 3fg4 n THR 1001Cb 0.31 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3fg4 n THR 1001CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3fg4 s LYS 1002N -1.39 3.97 0.21 -0.78 2.47 -1.09 -5.00 119.74 118.12 3fg4 s LYS 1002Ca 0.21 1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 55.45 3fg4 s LYS 1002Cb 0.14 -3.82 -0.09 0.00 -1.46 0.00 0.00 37.83 32.60 3fg4 s LYS 1002CO 0.10 -1.04 1.22 -0.06 0.16 0.00 0.00 175.35 175.73 3fg4 s PHE 1003N 4.06 3.38 0.34 4.03 0.40 -1.26 -5.02 117.98 123.91 3fg4 s PHE 1003Ca 0.51 1.41 -0.25 0.00 -0.60 0.00 0.00 56.93 58.00 3fg4 s PHE 1003Cb -0.14 -3.47 -0.10 0.00 0.51 0.00 0.00 43.02 39.82 3fg4 s PHE 1003CO 0.20 -1.32 0.93 0.45 0.70 0.00 0.00 175.22 176.18 3fg4 s SER 1004N 0.01 7.25 0.52 1.36 0.15 -1.26 -4.94 113.70 116.79 3fg4 s SER 1004Ca 0.52 1.78 0.18 0.00 0.70 0.00 0.00 55.95 59.14 3fg4 s SER 1004Cb -0.34 -2.56 1.30 0.00 -1.71 0.00 0.00 66.02 62.71 3fg4 s SER 1004CO 0.39 -0.11 2.10 -0.33 1.20 0.00 0.00 173.24 176.49 3fg4 h GLU 1005N 2.96 0.01 -0.53 5.44 3.07 -1.96 -0.84 114.58 122.73 3fg4 h GLU 1005Ca -0.47 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 3fg4 h GLU 1005Cb 1.19 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3fg4 h GLU 1005CO 0.64 0.01 0.00 -0.40 -1.40 0.00 0.00 179.01 177.86 3fg4 n ASP 1006N -4.49 2.86 -4.74 1.42 5.75 -1.26 -4.99 116.55 111.09 3fg4 n ASP 1006Ca 0.01 -2.04 -0.37 0.00 -0.01 0.00 0.00 54.79 52.38 3fg4 n ASP 1006Cb 0.24 -0.36 0.05 0.00 -1.03 0.00 0.00 41.12 40.01 3fg4 n ASP 1006CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3fg4 s GLU 1007N -1.37 2.83 -0.09 0.11 2.02 -0.32 -4.99 118.70 116.89 3fg4 s GLU 1007Ca 0.35 1.98 0.04 0.00 0.02 0.00 0.00 54.97 57.36 3fg4 s GLU 1007Cb 0.19 -1.95 -0.01 0.00 0.10 0.00 0.00 34.13 32.46 3fg4 s GLU 1007CO 0.23 -1.36 -0.22 1.03 0.02 0.00 0.00 175.26 174.96 3fg4 s ARG 1008N -3.28 2.91 0.40 1.61 0.52 -1.26 -5.03 118.95 114.83 3fg4 s ARG 1008Ca 0.79 -0.85 0.08 0.00 -0.52 0.00 0.00 55.73 55.22 3fg4 s ARG 1008Cb -0.35 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 32.81 3fg4 s ARG 1008CO 0.38 0.27 0.49 0.71 0.02 0.00 0.00 175.30 177.17 3fg4 s TYR 1009N 0.12 2.83 -0.46 -0.53 1.51 -1.26 -1.87 117.35 117.69 3fg4 s TYR 1009Ca -0.11 -0.39 -0.43 0.00 -1.01 0.00 0.00 57.07 55.13 3fg4 s TYR 1009Cb -0.16 -2.24 -0.18 0.00 -0.11 0.00 0.00 41.96 39.27 3fg4 s TYR 1009CO 0.06 -0.25 1.63 -0.11 -1.11 0.00 0.00 175.55 175.77 3fg4 n LEU 1010N -1.72 1.01 0.00 -1.29 7.94 0.14 0.03 117.00 123.10 3fg4 n LEU 1010Ca 0.05 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.93 3fg4 n LEU 1010Cb 0.60 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3fg4 n LEU 1010CO 0.40 -0.76 0.00 0.61 -1.11 0.00 0.00 177.39 176.53 3fg4 n GLY 1011N 4.62 1.78 3.56 -3.96 0.00 -1.26 -4.91 105.19 105.01 3fg4 n GLY 1011Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3fg4 n GLY 1011CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg4 s ASN 1012N -3.20 5.56 -0.26 1.61 3.84 0.10 -4.77 114.94 117.82 3fg4 s ASN 1012Ca 0.00 0.39 0.10 0.00 0.21 0.00 0.00 52.86 53.55 3fg4 s ASN 1012Cb 0.00 -2.53 0.48 0.00 -0.55 0.00 0.00 41.25 38.64 3fg4 s ASN 1012CO 0.00 -2.14 1.38 -1.22 -2.79 0.00 0.00 177.10 172.33 3fg4 n TYR 1013N 11.64 0.73 0.31 0.43 4.01 -1.26 -4.72 117.16 128.30 3fg4 n TYR 1013Ca 0.18 -1.54 0.18 0.00 -0.16 0.00 0.00 57.90 56.56 3fg4 n TYR 1013Cb 0.51 -0.41 1.03 0.00 -0.31 0.00 0.00 39.34 40.16 3fg4 n TYR 1013CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3fg4 h SER 1014N 1.00 0.00 -0.78 7.72 4.64 -1.99 -2.92 113.55 121.23 3fg4 h SER 1014Ca 0.14 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.92 3fg4 h SER 1014Cb 1.44 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.19 3fg4 h SER 1014CO 0.26 0.01 -0.16 0.00 -0.87 0.00 0.00 176.83 176.07 3fg4 n ALA 1015N -2.21 5.36 -2.61 5.18 0.00 -1.26 -4.99 120.51 119.98 3fg4 n ALA 1015Ca -0.03 -3.60 -0.22 0.00 0.00 0.00 0.00 53.44 49.59 3fg4 n ALA 1015Cb 0.09 -0.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 3fg4 n ALA 1015CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3fg4 s THR 1016N -4.48 3.61 -0.23 0.00 -4.23 -1.10 -4.93 115.64 104.28 3fg4 s THR 1016Ca 0.55 -1.56 0.15 0.00 -1.18 0.00 0.00 61.69 59.64 3fg4 s THR 1016Cb 0.44 -3.13 0.75 0.00 1.34 0.00 0.00 72.50 71.91 3fg4 s THR 1016CO 0.02 -0.25 1.67 0.00 -0.54 0.00 0.00 174.62 175.51 3fg4 n ALA 1017N -1.18 3.68 -1.93 3.99 0.00 -1.26 -5.00 120.51 118.81 3fg4 n ALA 1017Ca -0.04 -2.04 -0.41 0.00 0.00 0.00 0.00 53.44 50.94 3fg4 n ALA 1017Cb 0.60 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3fg4 n ALA 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3fg4 s TRP 1018N -2.80 3.30 0.00 0.00 0.52 -1.26 -4.80 118.94 113.91 3fg4 s TRP 1018Ca 0.52 1.37 0.00 0.00 0.02 0.00 0.00 56.10 58.01 3fg4 s TRP 1018Cb 0.40 -3.53 0.00 0.00 -1.15 0.00 0.00 33.47 29.19 3fg4 s TRP 1018CO 0.14 -1.53 0.00 0.39 0.02 0.00 0.00 176.95 175.97 3fg4 n GLU 1019N 2.04 2.82 -1.99 4.98 -0.58 -1.26 -5.02 120.64 121.63 3fg4 n GLU 1019Ca 0.03 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 3fg4 n GLU 1019Cb 0.43 -0.89 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 3fg4 n GLU 1019CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3fg4 s ASP 1020N -2.40 6.65 0.32 1.62 -1.08 -1.26 -4.89 116.67 115.63 3fg4 s ASP 1020Ca 0.00 2.46 0.04 0.00 -0.52 0.00 0.00 52.55 54.53 3fg4 s ASP 1020Cb 0.00 -2.57 0.65 0.00 -1.46 0.00 0.00 42.92 39.53 3fg4 s ASP 1020CO 0.00 -0.83 1.87 0.11 0.52 0.00 0.00 175.17 176.84 3fg4 h LYS 1021N 7.76 0.87 -0.71 4.34 6.56 -1.99 -0.64 116.57 132.76 3fg4 h LYS 1021Ca -0.42 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.05 3fg4 h LYS 1021Cb 1.20 -0.20 -0.03 0.00 -0.57 0.00 0.00 32.23 32.64 3fg4 h LYS 1021CO 0.92 0.57 0.18 -0.44 -2.06 0.00 0.00 179.45 178.62 3fg4 h ASP 1022N 0.89 1.06 -0.60 0.86 3.45 -2.00 -0.81 116.42 119.28 3fg4 h ASP 1022Ca 0.44 -0.22 -0.08 0.00 0.43 0.00 0.00 57.03 57.60 3fg4 h ASP 1022Cb 0.47 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3fg4 h ASP 1022CO -0.20 1.01 0.06 0.00 -1.57 0.00 0.00 179.24 178.54 3fg4 h ALA 1023N 1.12 0.94 -0.43 3.45 0.00 -1.70 -0.02 119.26 122.61 3fg4 h ALA 1023Ca 0.22 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3fg4 h ALA 1023Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3fg4 h ALA 1023CO 0.00 0.65 0.25 -0.07 0.00 0.00 0.00 179.25 180.08 3fg4 h LEU 1024N 0.96 0.52 -0.81 0.00 3.38 -0.81 -1.30 115.31 117.26 3fg4 h LEU 1024Ca 0.19 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.15 3fg4 h LEU 1024Cb 0.47 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 3fg4 h LEU 1024CO 0.02 0.43 0.49 0.44 0.09 0.00 0.00 178.44 179.91 3fg4 h ASP 1025N 0.56 0.77 -0.69 -0.43 3.32 -0.69 -1.60 116.42 117.66 3fg4 h ASP 1025Ca 0.15 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3fg4 h ASP 1025Cb 0.01 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3fg4 h ASP 1025CO -0.03 0.50 0.35 0.00 -1.72 0.00 0.00 179.24 178.33 3fg4 h ALA 1026N 1.39 1.27 -0.16 3.45 0.00 -0.52 -1.49 119.26 123.19 3fg4 h ALA 1026Ca 0.35 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3fg4 h ALA 1026Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fg4 h ALA 1026CO -0.17 0.57 -0.17 0.82 0.00 0.00 0.00 179.25 180.30 3fg4 h ILE 1027N 1.01 1.34 -0.53 0.00 2.04 -0.93 -1.75 117.51 118.70 3fg4 h ILE 1027Ca 0.25 -1.34 0.11 0.00 1.00 0.00 0.00 64.86 64.88 3fg4 h ILE 1027Cb 0.10 1.86 -0.09 0.00 -0.74 0.00 0.00 36.82 37.95 3fg4 h ILE 1027CO -0.03 0.40 -0.05 0.78 0.00 0.00 0.00 178.15 179.24 3fg4 h ASN 1028N 0.03 -0.34 -0.09 1.72 2.35 -0.91 0.30 115.58 118.64 3fg4 h ASN 1028Ca 0.02 0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 3fg4 h ASN 1028Cb 0.71 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.33 3fg4 h ASN 1028CO 0.04 -0.12 -0.21 0.03 -1.65 0.00 0.00 177.43 175.52 3fg4 h ARG 1029N 0.06 0.50 -0.06 0.81 3.08 -1.15 0.05 114.38 117.67 3fg4 h ARG 1029Ca 0.26 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3fg4 h ARG 1029Cb 0.41 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3fg4 h ARG 1029CO -0.49 0.68 -0.06 0.35 -1.07 0.00 0.00 179.97 179.39 3fg4 h PHE 1030N 0.45 0.18 -0.50 3.04 3.57 -0.39 0.16 116.94 123.44 3fg4 h PHE 1030Ca 0.07 -0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3fg4 h PHE 1030Cb 0.61 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.26 3fg4 h PHE 1030CO 0.02 0.59 0.18 1.96 -2.23 0.00 0.00 178.31 178.83 3fg4 h GLN 1031N -0.29 0.35 -0.86 1.11 4.20 -0.14 -0.05 115.11 119.42 3fg4 h GLN 1031Ca 0.01 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.72 3fg4 h GLN 1031Cb 0.56 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 3fg4 h GLN 1031CO 0.01 0.23 0.57 -0.44 -0.67 0.00 0.00 178.83 178.53 3fg4 h ASP 1032N 0.36 0.96 -0.49 1.46 3.32 -0.87 -0.02 116.42 121.15 3fg4 h ASP 1032Ca 0.24 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3fg4 h ASP 1032Cb 0.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fg4 h ASP 1032CO -0.24 0.68 0.19 0.50 -1.72 0.00 0.00 179.24 178.65 3fg4 h LYS 1033N 1.13 0.73 -0.85 3.56 1.63 0.25 -2.05 116.57 120.97 3fg4 h LYS 1033Ca 0.33 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 60.01 3fg4 h LYS 1033Cb -0.08 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.39 3fg4 h LYS 1033CO -0.09 0.65 0.56 -0.07 -3.45 0.00 0.00 179.45 177.06 3fg4 h LEU 1034N 0.64 0.95 -0.43 5.20 3.38 -0.56 0.73 115.31 125.23 3fg4 h LEU 1034Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3fg4 h LEU 1034Cb 0.20 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3fg4 h LEU 1034CO -0.01 0.68 0.18 -0.08 0.09 0.00 0.00 178.44 179.30 3fg4 h GLU 1035N 1.12 0.63 -0.63 1.13 4.81 -0.65 0.20 114.58 121.19 3fg4 h GLU 1035Ca 0.32 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3fg4 h GLU 1035Cb -0.07 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 3fg4 h GLU 1035CO -0.08 0.57 0.35 -0.44 -0.73 0.00 0.00 179.01 178.68 3fg4 h ASP 1036N 0.55 0.79 -0.55 1.04 3.32 -0.92 -2.12 116.42 118.54 3fg4 h ASP 1036Ca 0.14 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3fg4 h ASP 1036Cb 0.17 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3fg4 h ASP 1036CO -0.01 0.66 0.22 0.40 -1.72 0.00 0.00 179.24 178.78 3fg4 h ILE 1037N 0.86 1.22 0.37 0.35 2.04 -0.45 -1.94 117.51 119.95 3fg4 h ILE 1037Ca 0.22 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 3fg4 h ILE 1037Cb 0.04 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3fg4 h ILE 1037CO -0.04 0.27 -0.20 0.28 0.00 0.00 0.00 178.15 178.47 3fg4 h SER 1038N 0.85 -0.48 -0.58 1.72 0.02 -0.31 -2.25 113.55 112.52 3fg4 h SER 1038Ca 0.20 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.29 3fg4 h SER 1038Cb 0.19 0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.75 3fg4 h SER 1038CO -0.02 -0.33 -0.18 0.11 -1.14 0.00 0.00 176.83 175.28 3fg4 h LYS 1039N -0.53 -0.04 -0.29 3.45 1.57 -1.16 -1.93 116.57 117.65 3fg4 h LYS 1039Ca -0.05 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 3fg4 h LYS 1039Cb 0.42 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3fg4 h LYS 1039CO 0.06 -0.02 -0.07 0.87 -0.57 0.00 0.00 179.45 179.72 3fg4 h LYS 1040N -0.04 0.46 -0.21 3.15 1.57 -1.17 -0.74 116.57 119.58 3fg4 h LYS 1040Ca 0.27 -0.11 -0.19 0.00 -1.87 0.00 0.00 60.65 58.75 3fg4 h LYS 1040Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3fg4 h LYS 1040CO -0.61 0.55 -0.63 0.82 -0.57 0.00 0.00 179.45 179.00 3fg4 h ILE 1041N 0.44 1.29 -0.22 1.86 2.04 -0.95 -1.40 117.51 120.56 3fg4 h ILE 1041Ca 0.09 -1.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.04 3fg4 h ILE 1041Cb 0.40 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3fg4 h ILE 1041CO 0.02 0.59 -0.11 0.11 0.00 0.00 0.00 178.15 178.76 3fg4 h LYS 1042N 0.56 0.47 -0.54 2.37 1.57 -0.87 0.18 116.57 120.31 3fg4 h LYS 1042Ca -0.01 -0.20 0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3fg4 h LYS 1042Cb 1.23 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.45 3fg4 h LYS 1042CO 0.13 0.74 0.13 1.96 -0.57 0.00 0.00 179.45 181.84 3fg4 h GLN 1043N 0.18 0.26 -0.76 3.15 4.20 -1.13 -2.01 115.11 119.00 3fg4 h GLN 1043Ca 0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3fg4 h GLN 1043Cb 0.60 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.29 3fg4 h GLN 1043CO 0.03 0.17 0.40 -0.09 -0.67 0.00 0.00 178.83 178.68 3fg4 h ARG 1044N 0.27 1.06 -0.14 1.46 1.12 -1.03 -3.03 114.38 114.09 3fg4 h ARG 1044Ca 0.27 -0.13 -0.06 0.00 -1.11 0.00 0.00 59.98 58.95 3fg4 h ARG 1044Cb 0.37 -0.20 -0.01 0.00 -0.01 0.00 0.00 29.97 30.11 3fg4 h ARG 1044CO -0.34 0.80 -0.19 -0.91 -3.11 0.00 0.00 179.97 176.22 3fg4 h ASN 1045N 1.05 0.23 1.25 -3.80 2.35 0.04 -3.02 115.58 113.67 3fg4 h ASN 1045Ca 0.26 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3fg4 h ASN 1045Cb 0.05 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3fg4 h ASN 1045CO -0.04 0.43 -0.01 1.05 -1.65 0.00 0.00 177.43 177.21 3fg4 h GLU 1046N 0.22 0.00 -0.63 0.81 4.11 -1.28 -2.32 114.58 115.49 3fg4 h GLU 1046Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.47 3fg4 h GLU 1046Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3fg4 h GLU 1046CO 0.03 0.01 0.00 0.09 0.07 0.00 0.00 179.01 179.21 3fg4 n ASN 1047N -3.10 3.90 -4.62 3.06 3.02 -1.14 -4.94 115.26 111.44 3fg4 n ASN 1047Ca 0.01 -2.27 -0.31 0.00 -0.03 0.00 0.00 54.58 51.99 3fg4 n ASN 1047Cb 0.36 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.94 3fg4 n ASN 1047CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fg4 s LEU 1048N -1.45 3.23 0.19 3.41 1.43 -0.87 -5.03 118.68 119.59 3fg4 s LEU 1048Ca 0.43 -0.21 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 3fg4 s LEU 1048Cb 0.26 -1.92 0.10 0.00 0.03 0.00 0.00 46.19 44.66 3fg4 s LEU 1048CO 0.23 0.23 1.59 -0.08 0.23 0.00 0.00 176.35 178.55 3fg4 h GLU 1049N 4.02 0.88 -4.22 1.70 4.81 -1.92 -3.38 114.58 116.47 3fg4 h GLU 1049Ca -0.48 -0.37 -0.63 0.00 -0.13 0.00 0.00 59.36 57.75 3fg4 h GLU 1049Cb 1.17 -0.03 -0.40 0.00 0.63 0.00 0.00 28.75 30.12 3fg4 h GLU 1049CO 0.55 1.02 -0.74 0.08 -0.73 0.00 0.00 179.01 179.19 3fg4 s VAL 1050N -4.61 1.68 0.43 0.32 1.01 -1.26 -5.12 120.40 112.85 3fg4 s VAL 1050Ca -0.10 -1.92 -0.24 0.00 0.00 0.00 0.00 61.98 59.71 3fg4 s VAL 1050Cb 0.13 -2.24 -0.10 0.00 0.00 0.00 0.00 36.38 34.16 3fg4 s VAL 1050CO 0.85 -0.61 1.08 -2.65 0.00 0.00 0.00 175.10 173.77 3fg4 n PRO 1051N 4.51 1.47 -3.70 2.72 -0.02 -1.26 -4.98 135.00 133.74 3fg4 n PRO 1051Ca 0.01 0.53 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 3fg4 n PRO 1051Cb 0.42 -2.13 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 3fg4 n PRO 1051CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3fg4 s TYR 1052N -1.26 3.40 -0.81 6.00 5.04 -1.26 -4.96 117.35 123.49 3fg4 s TYR 1052Ca 0.63 -1.83 0.10 0.00 -2.44 0.00 0.00 57.07 53.53 3fg4 s TYR 1052Cb -0.54 -2.89 -0.03 0.00 0.35 0.00 0.00 41.96 38.86 3fg4 s TYR 1052CO 0.56 -0.87 0.58 0.44 -1.34 0.00 0.00 175.55 174.92 3fg4 n ILE 1053N 4.78 0.00 0.28 3.14 -5.35 -1.26 -4.63 119.36 116.31 3fg4 n ILE 1053Ca -0.08 -0.37 0.16 0.00 -0.27 0.00 0.00 62.75 62.19 3fg4 n ILE 1053Cb 0.43 1.09 0.76 0.00 -1.74 0.00 0.00 39.64 40.18 3fg4 n ILE 1053CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3fg4 h TYR 1054N 0.86 0.00 -0.31 4.28 0.99 -1.94 -2.42 116.97 118.42 3fg4 h TYR 1054Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3fg4 h TYR 1054Cb 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.04 3fg4 h TYR 1054CO 0.00 0.07 0.00 1.28 -0.00 0.00 0.00 178.16 179.51 3fg4 n LEU 1055N -3.29 4.21 -4.72 3.88 4.77 -1.26 -4.51 117.00 116.07 3fg4 n LEU 1055Ca -0.01 -3.02 -0.42 0.00 -0.03 0.00 0.00 56.01 52.53 3fg4 n LEU 1055Cb 0.26 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3fg4 n LEU 1055CO 0.28 0.68 1.19 -0.76 -1.33 0.00 0.00 177.39 177.44 3fg4 s LEU 1056N -2.83 4.37 0.40 2.23 1.43 -0.91 -4.91 118.68 118.46 3fg4 s LEU 1056Ca 0.44 2.61 0.14 0.00 -1.03 0.00 0.00 54.13 56.29 3fg4 s LEU 1056Cb 0.36 -3.60 0.99 0.00 0.03 0.00 0.00 46.19 43.97 3fg4 s LEU 1056CO 0.10 -0.79 1.89 -0.65 0.23 0.00 0.00 176.35 177.13 3fg4 h PRO 1057N 6.39 0.48 0.00 1.29 0.11 -1.91 0.27 132.00 138.63 3fg4 h PRO 1057Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fg4 h PRO 1057Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3fg4 h PRO 1057CO 0.88 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 3fg4 n GLU 1058N -4.51 0.11 -0.03 1.05 0.28 -1.26 -2.49 120.64 113.79 3fg4 n GLU 1058Ca 0.17 0.29 0.06 0.00 -0.16 0.00 0.00 57.16 57.52 3fg4 n GLU 1058Cb 0.56 -1.69 0.07 0.00 1.43 0.00 0.00 31.44 31.80 3fg4 n GLU 1058CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3fg4 n ARG 1059N -1.90 0.96 -3.59 3.44 1.74 0.93 -4.90 116.66 113.34 3fg4 n ARG 1059Ca 0.04 -1.33 -0.41 0.00 -0.77 0.00 0.00 57.85 55.38 3fg4 n ARG 1059Cb 0.24 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 3fg4 n ARG 1059CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3fg4 s ILE 1060N -1.00 4.65 0.59 0.55 1.01 -1.00 -4.94 121.20 121.07 3fg4 s ILE 1060Ca 0.15 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 3fg4 s ILE 1060Cb 0.10 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 3fg4 s ILE 1060CO 0.15 -0.22 1.32 -2.84 0.00 0.00 0.00 174.94 173.35 3fg4 s PRO 1061N 1.57 2.86 0.56 2.79 0.02 -1.26 0.26 135.00 141.80 3fg4 s PRO 1061Ca 0.03 2.13 0.26 0.00 0.02 0.00 0.00 61.00 63.43 3fg4 s PRO 1061Cb -0.19 -2.05 1.50 0.00 0.02 0.00 0.00 34.50 33.78 3fg4 s PRO 1061CO 0.07 -1.37 2.06 -0.91 -0.33 0.00 0.00 177.00 176.52 3fg4 h ASN 1062N 1.01 0.00 -3.89 2.53 2.35 -1.61 -3.40 115.58 112.57 3fg4 h ASN 1062Ca -0.51 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 54.92 3fg4 h ASN 1062Cb 1.32 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.61 3fg4 h ASN 1062CO 0.55 0.00 -0.30 0.61 -1.65 0.00 0.00 177.43 176.64 3fg4 n GLY 1063N -1.51 3.39 3.18 2.83 0.00 -1.26 -3.80 105.19 108.02 3fg4 n GLY 1063Ca 0.04 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3fg4 n GLY 1063CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg4 s THR 1064N -2.75 4.04 0.00 2.61 2.01 -1.13 -4.61 115.64 115.82 3fg4 s THR 1064Ca 0.21 -2.11 0.00 0.00 0.31 0.00 0.00 61.69 60.10 3fg4 s THR 1064Cb 0.01 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.86 3fg4 s THR 1064CO 0.15 -0.80 0.70 0.00 -0.69 0.00 0.00 174.62 173.98 3fg4 n ALA 1065N 4.51 1.86 -1.63 7.40 0.00 -1.26 -1.29 120.51 130.10 3fg4 n ALA 1065Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3fg4 n ALA 1065Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 3fg4 n ALA 1065CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01