#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis s ASP 349 N 0.00 6.45 0.60 4.52 3.68 -1.26 -4.87 116.67 125.80 3gis s ASP 349 Ca 0.00 -0.00 0.24 0.00 2.13 0.00 0.00 52.55 54.91 3gis s ASP 349 Cb 0.00 -2.43 0.82 0.00 -1.45 0.00 0.00 42.92 39.86 3gis s ASP 349 CO 0.00 -1.04 1.25 -2.65 0.13 0.00 0.00 175.17 172.86 3gis n PRO 350 N 7.09 0.02 0.00 4.34 -0.02 -1.26 0.27 135.00 145.43 3gis n PRO 350 Ca 0.05 1.00 0.13 0.00 -2.02 0.00 0.00 63.50 62.65 3gis n PRO 350 Cb 0.48 -2.50 0.39 0.00 -0.02 0.00 0.00 33.50 31.85 3gis n PRO 350 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gis h PHE 352 N 0.18 -0.36 -0.21 0.00 3.57 0.33 -3.23 116.94 117.23 3gis h PHE 352 Ca 0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3gis h PHE 352 Cb 0.48 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3gis h PHE 352 CO 0.00 -0.02 0.05 0.54 -2.23 0.00 0.00 178.31 176.65 3gis n ARG 353 N -5.05 2.04 -4.25 1.11 5.12 -1.25 -4.81 116.66 109.56 3gis n ARG 353 Ca -0.08 -0.99 -0.35 0.00 -1.93 0.00 0.00 57.85 54.51 3gis n ARG 353 Cb 0.25 -1.66 -0.10 0.00 -1.16 0.00 0.00 32.46 29.80 3gis n ARG 353 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gis s ALA 354 N -1.43 3.33 -0.83 7.54 0.00 -1.22 -5.02 121.76 124.12 3gis s ALA 354 Ca 0.17 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 3gis s ALA 354 Cb 0.14 -1.63 0.35 0.00 0.00 0.00 0.00 23.12 21.98 3gis s ALA 354 CO 0.05 0.46 1.91 0.09 0.00 0.00 0.00 175.76 178.26 3gis n ASN 355 N 2.61 7.24 -4.66 0.00 4.13 -1.26 -4.98 115.26 118.33 3gis n ASN 355 Ca -0.18 -3.81 -0.42 0.00 1.68 0.00 0.00 54.58 51.85 3gis n ASN 355 Cb 0.53 -1.02 -0.03 0.00 -1.54 0.00 0.00 39.78 37.72 3gis n ASN 355 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gis h GLU 357 N 9.85 0.42 0.00 0.00 4.81 -1.04 -3.40 114.58 125.22 3gis h GLU 357 Ca -0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3gis h GLU 357 Cb 1.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.48 3gis h GLU 357 CO 0.95 0.28 0.00 0.98 -0.73 0.00 0.00 179.01 180.49 3gis n TYR 358 N -4.97 0.00 -4.30 0.92 9.36 -1.26 -5.04 117.16 111.86 3gis n TYR 358 Ca 0.09 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.15 3gis n TYR 358 Cb 0.26 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.87 3gis n TYR 358 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3gis s GLN 359 N 0.00 1.25 -0.06 2.98 -0.21 -1.10 -5.05 119.66 117.47 3gis s GLN 359 Ca 0.00 -1.61 0.04 0.00 0.02 0.00 0.00 55.36 53.81 3gis s GLN 359 Cb 0.00 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.42 3gis s GLN 359 CO 0.00 -0.06 -0.17 0.00 -2.12 0.00 0.00 175.29 172.95 3gis s GLN 361 N 0.30 2.19 0.33 0.00 2.00 -0.65 -4.93 119.66 118.91 3gis s GLN 361 Ca -0.10 -1.52 -0.29 0.00 -2.00 0.00 0.00 55.36 51.46 3gis s GLN 361 Cb -0.14 -3.32 -0.11 0.00 0.80 0.00 0.00 33.01 30.24 3gis s GLN 361 CO 0.04 -0.81 1.43 -1.25 -0.50 0.00 0.00 175.29 174.20 3gis s PRO 362 N 1.18 4.22 -0.12 1.67 0.04 -1.26 -1.33 135.00 139.40 3gis s PRO 362 Ca 0.01 2.40 0.11 0.00 0.04 0.00 0.00 61.00 63.56 3gis s PRO 362 Cb -0.21 -3.03 -0.15 0.00 0.04 0.00 0.00 34.50 31.15 3gis s PRO 362 CO -0.03 -0.40 0.04 1.28 0.04 0.00 0.00 177.00 177.93 3gis n LEU 363 N 1.03 0.10 0.00 -3.56 4.77 -0.70 -4.90 117.00 113.74 3gis n LEU 363 Ca 0.02 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3gis n LEU 363 Cb 0.40 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3gis n LEU 363 CO 0.62 0.32 0.00 -0.46 -1.33 0.00 0.00 177.39 176.53 3gis n ASN 364 N -2.47 0.00 0.06 -1.43 0.23 -1.09 -4.98 115.26 105.58 3gis n ASN 364 Ca -0.20 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.98 3gis n ASN 364 Cb 0.89 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.95 3gis n ASN 364 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3gis n GLN 365 N 0.00 0.18 0.00 -3.83 -0.00 -1.26 -4.05 117.38 108.43 3gis n GLN 365 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 3gis n GLN 365 Cb 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 30.24 28.57 3gis n GLN 365 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3gis n THR 366 N -1.97 0.03 -3.92 -0.39 -1.04 -1.26 -4.64 114.28 101.10 3gis n THR 366 Ca 0.05 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.05 61.56 3gis n THR 366 Cb 0.40 1.17 -0.08 0.00 -1.82 0.00 0.00 70.33 70.01 3gis n THR 366 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3gis s SER 367 N -0.03 0.15 0.15 8.00 1.04 -1.26 -5.02 113.70 116.73 3gis s SER 367 Ca 0.00 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 3gis s SER 367 Cb 0.00 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3gis s SER 367 CO 0.00 -0.75 0.21 0.00 0.98 0.00 0.00 173.24 173.69 3gis n TYR 368 N -0.08 -0.93 -3.31 5.02 0.18 -1.26 -1.71 117.16 115.07 3gis n TYR 368 Ca -0.13 -0.94 -0.02 0.00 1.88 0.00 0.00 57.90 58.69 3gis n TYR 368 Cb 0.62 0.24 -0.04 0.00 -0.38 0.00 0.00 39.34 39.78 3gis n TYR 368 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 3gis s LEU 369 N 0.00 -1.05 0.03 -3.48 1.98 -0.44 -4.80 118.68 110.91 3gis s LEU 369 Ca 0.11 0.74 -0.30 0.00 -2.89 0.00 0.00 54.13 51.78 3gis s LEU 369 Cb -0.01 1.76 -0.07 0.00 0.66 0.00 0.00 46.19 48.53 3gis s LEU 369 CO 0.08 -0.27 1.60 0.00 -1.89 0.00 0.00 176.35 175.87 3gis s VAL 371 N 2.86 3.09 0.48 0.00 -7.23 -0.74 -4.80 120.40 114.07 3gis s VAL 371 Ca 0.71 -1.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.14 3gis s VAL 371 Cb -0.37 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 3gis s VAL 371 CO 0.30 -0.23 0.00 0.00 -0.31 0.00 0.00 175.10 174.87 3gis s ALA 373 N -2.84 2.84 -0.36 0.00 0.00 -1.26 -4.86 121.76 115.29 3gis s ALA 373 Ca 0.13 0.22 -0.39 0.00 0.00 0.00 0.00 51.96 51.92 3gis s ALA 373 Cb 0.04 -3.18 -0.15 0.00 0.00 0.00 0.00 23.12 19.83 3gis s ALA 373 CO 0.07 -0.75 1.97 -1.91 0.00 0.00 0.00 175.76 175.14 3gis n GLU 374 N -2.25 0.86 0.00 0.00 2.13 -1.26 -0.23 120.64 119.89 3gis n GLU 374 Ca 0.08 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.18 3gis n GLU 374 Cb 0.53 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.15 3gis n GLU 374 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gis n GLY 375 N 5.65 2.05 3.91 8.31 0.00 -1.26 -5.09 105.19 118.77 3gis n GLY 375 Ca 0.37 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.17 3gis n GLY 375 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gis s PHE 376 N -2.31 2.26 0.01 1.61 0.40 0.68 -0.67 117.98 119.96 3gis s PHE 376 Ca 0.00 -0.61 -0.28 0.00 -0.60 0.00 0.00 56.93 55.44 3gis s PHE 376 Cb 0.00 -2.12 0.08 0.00 0.51 0.00 0.00 43.02 41.49 3gis s PHE 376 CO 0.00 -0.36 0.69 0.00 0.70 0.00 0.00 175.22 176.26 3gis s ALA 377 N -2.57 -1.73 0.47 5.36 0.00 -0.59 -4.63 121.76 118.08 3gis s ALA 377 Ca 0.47 1.04 -0.24 0.00 0.00 0.00 0.00 51.96 53.23 3gis s ALA 377 Cb -0.03 0.27 -0.08 0.00 0.00 0.00 0.00 23.12 23.28 3gis s ALA 377 CO 0.28 -0.52 1.35 -2.30 0.00 0.00 0.00 175.76 174.57 3gis n PRO 378 N 0.38 1.97 -2.74 0.00 -0.02 -1.26 -1.47 135.00 131.87 3gis n PRO 378 Ca -0.17 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 3gis n PRO 378 Cb 0.60 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3gis n PRO 378 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gis s ILE 379 N -1.23 4.88 0.05 4.25 1.01 -0.61 -4.81 121.20 124.74 3gis s ILE 379 Ca 0.64 2.00 -0.09 0.00 0.00 0.00 0.00 60.65 63.20 3gis s ILE 379 Cb -0.45 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 3gis s ILE 379 CO 0.55 0.15 0.62 -2.65 0.00 0.00 0.00 174.94 173.61 3gis n PRO 380 N 3.99 -0.13 -0.55 2.79 -0.02 -1.26 -0.40 135.00 139.42 3gis n PRO 380 Ca 0.06 0.61 0.10 0.00 -2.02 0.00 0.00 63.50 62.24 3gis n PRO 380 Cb 0.51 -0.90 0.35 0.00 -0.02 0.00 0.00 33.50 33.44 3gis n PRO 380 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3gis n HIS 381 N -3.85 1.35 -3.05 6.00 8.25 -1.26 -4.40 115.22 118.26 3gis n HIS 381 Ca 0.01 -0.58 -0.15 0.00 -0.26 0.00 0.00 57.72 56.73 3gis n HIS 381 Cb 0.08 -0.18 0.01 0.00 1.12 0.00 0.00 29.99 31.01 3gis n HIS 381 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3gis n GLU 382 N 1.26 0.99 -0.19 -0.41 1.02 0.47 -5.00 120.64 118.77 3gis n GLU 382 Ca 0.25 -2.96 0.29 0.00 -0.02 0.00 0.00 57.16 54.73 3gis n GLU 382 Cb 0.82 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.46 3gis n GLU 382 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3gis h PRO 383 N 3.00 0.00 0.00 3.49 0.13 -1.47 0.15 132.00 137.29 3gis h PRO 383 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3gis h PRO 383 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3gis h PRO 383 CO 0.39 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.77 3gis n HIS 384 N -4.18 0.35 -4.13 1.56 1.44 -1.26 -4.52 115.22 104.48 3gis n HIS 384 Ca 0.19 0.12 -0.29 0.00 -2.01 0.00 0.00 57.72 55.73 3gis n HIS 384 Cb 1.01 -0.69 -0.08 0.00 0.12 0.00 0.00 29.99 30.36 3gis n HIS 384 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3gis s ARG 385 N -3.08 2.56 -0.02 -1.40 0.52 0.53 -0.34 118.95 117.74 3gis s ARG 385 Ca 0.10 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3gis s ARG 385 Cb 0.13 -2.53 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 3gis s ARG 385 CO 0.45 0.52 -0.12 0.00 0.02 0.00 0.00 175.30 176.17 3gis s GLN 387 N -1.08 0.22 0.26 0.00 -2.07 -0.54 -4.91 119.66 111.54 3gis s GLN 387 Ca 0.14 -0.21 -0.27 0.00 -1.82 0.00 0.00 55.36 53.20 3gis s GLN 387 Cb -0.11 0.09 -0.16 0.00 -1.09 0.00 0.00 33.01 31.75 3gis s GLN 387 CO 0.04 -0.04 0.63 1.28 -1.32 0.00 0.00 175.29 175.88 3gis n LEU 388 N 2.32 -0.38 -4.94 2.60 4.77 -1.26 -1.54 117.00 118.57 3gis n LEU 388 Ca -0.18 1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 56.66 3gis n LEU 388 Cb 0.57 -1.06 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 3gis n LEU 388 CO 0.22 -2.61 0.17 0.12 -1.33 0.00 0.00 177.39 173.96 3gis s PHE 389 N -1.11 3.50 0.00 -1.77 5.36 0.15 -4.69 117.98 119.42 3gis s PHE 389 Ca 0.62 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 3gis s PHE 389 Cb -0.81 -1.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.97 3gis s PHE 389 CO 0.58 0.14 0.00 0.00 -1.46 0.00 0.00 175.22 174.47 3gis n ASN 391 N 0.00 1.71 -4.92 0.00 5.03 -1.26 -4.97 115.26 110.85 3gis n ASN 391 Ca 0.00 -3.61 -0.26 0.00 0.87 0.00 0.00 54.58 51.58 3gis n ASN 391 Cb 0.00 -0.49 0.07 0.00 -1.02 0.00 0.00 39.78 38.34 3gis n ASN 391 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gis s GLN 392 N -2.86 2.16 0.51 3.52 -1.52 -1.26 -4.71 119.66 115.50 3gis s GLN 392 Ca 0.36 -0.25 0.34 0.00 -1.95 0.00 0.00 55.36 53.87 3gis s GLN 392 Cb 0.35 -2.16 1.69 0.00 -0.22 0.00 0.00 33.01 32.68 3gis s GLN 392 CO -0.06 -1.27 2.04 1.15 -0.25 0.00 0.00 175.29 176.89 3gis h THR 393 N -0.63 0.00 -3.46 -0.19 2.02 -1.96 -3.41 112.91 105.29 3gis h THR 393 Ca -0.44 -0.18 -0.33 0.00 0.77 0.00 0.00 66.41 66.23 3gis h THR 393 Cb 1.32 1.04 -0.35 0.00 -1.74 0.00 0.00 68.15 68.41 3gis h THR 393 CO 0.60 0.00 -0.74 0.00 0.37 0.00 0.00 175.52 175.75 3gis s ALA 394 N -3.78 0.20 0.14 6.16 0.00 -1.26 -0.38 121.76 122.84 3gis s ALA 394 Ca -0.01 0.23 0.08 0.00 0.00 0.00 0.00 51.96 52.26 3gis s ALA 394 Cb 0.10 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3gis s ALA 394 CO 0.40 -0.20 -0.19 0.00 0.00 0.00 0.00 175.76 175.78 3gis s PRO 396 N -2.51 4.33 0.66 0.00 0.02 -1.26 0.12 135.00 136.36 3gis s PRO 396 Ca 0.12 2.21 -0.13 0.00 0.02 0.00 0.00 61.00 63.22 3gis s PRO 396 Cb -0.07 -3.11 -0.00 0.00 0.02 0.00 0.00 34.50 31.34 3gis s PRO 396 CO 0.06 -0.28 1.07 0.00 -0.33 0.00 0.00 177.00 177.52 3gis s ALA 397 N -0.48 2.58 -0.98 -1.55 0.00 -0.11 -4.72 121.76 116.49 3gis s ALA 397 Ca 0.54 0.33 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 3gis s ALA 397 Cb -0.40 -3.24 0.27 0.00 0.00 0.00 0.00 23.12 19.75 3gis s ALA 397 CO 0.46 -1.18 1.09 -3.47 0.00 0.00 0.00 175.76 172.67 3gis n ASP 398 N -2.65 5.21 -4.85 0.00 2.03 -1.06 -4.93 116.55 110.29 3gis n ASP 398 Ca 0.09 -3.24 -0.32 0.00 0.52 0.00 0.00 54.79 51.84 3gis n ASP 398 Cb 0.53 -1.16 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 3gis n ASP 398 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gis s ASP 400 N -2.55 5.71 0.00 0.00 -0.00 -1.12 -4.95 116.67 113.75 3gis s ASP 400 Ca 0.54 -1.02 0.00 0.00 -0.00 0.00 0.00 52.55 52.07 3gis s ASP 400 Cb -0.10 -2.01 0.00 0.00 -0.00 0.00 0.00 42.92 40.81 3gis s ASP 400 CO 0.22 -0.39 0.90 -2.65 -0.00 0.00 0.00 175.17 173.25 3gis n PRO 401 N 4.98 0.00 0.00 8.23 -0.02 -1.26 -4.41 135.00 142.52 3gis n PRO 401 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3gis n PRO 401 Cb 0.46 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 3gis n PRO 401 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gis n ALA 405 N 4.23 0.00 -1.37 3.55 0.00 -1.26 -5.23 120.51 120.43 3gis n ALA 405 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.91 3gis n ALA 405 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3gis n ALA 405 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gis n SER 406 N 0.00 1.45 -4.91 0.00 7.64 -1.26 -4.85 113.62 111.69 3gis n SER 406 Ca 0.00 0.48 -0.30 0.00 1.01 0.00 0.00 58.87 60.05 3gis n SER 406 Cb 0.00 -1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 62.06 3gis n SER 406 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gis s GLU 408 N -2.75 1.48 0.01 0.00 0.41 -1.09 -4.93 118.70 111.83 3gis s GLU 408 Ca 0.38 -1.41 0.01 0.00 -0.41 0.00 0.00 54.97 53.54 3gis s GLU 408 Cb -0.12 -1.89 -0.01 0.00 -1.78 0.00 0.00 34.13 30.33 3gis s GLU 408 CO 0.27 0.43 -0.03 0.00 -0.49 0.00 0.00 175.26 175.44 3gis s PRO 410 N -0.49 2.08 0.43 0.00 0.04 -1.26 -4.89 135.00 130.91 3gis s PRO 410 Ca -0.04 1.34 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 3gis s PRO 410 Cb -0.04 -1.86 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 3gis s PRO 410 CO -0.00 -1.80 1.34 -0.85 0.04 0.00 0.00 177.00 175.72 3gis n GLU 411 N -3.41 2.09 -0.17 4.56 0.00 -1.26 -1.99 120.64 120.45 3gis n GLU 411 Ca 0.10 0.74 0.00 0.00 0.00 0.00 0.00 57.16 58.00 3gis n GLU 411 Cb 0.52 -2.48 0.00 0.00 0.00 0.00 0.00 31.44 29.48 3gis n GLU 411 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gis n GLY 412 N 0.71 0.97 3.58 -1.84 0.00 -1.25 -4.68 105.19 102.69 3gis n GLY 412 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 3gis n GLY 412 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gis s TYR 413 N -2.56 2.45 -0.03 1.61 1.51 -0.84 -1.36 117.35 118.13 3gis s TYR 413 Ca 0.00 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3gis s TYR 413 Cb 0.00 -1.47 0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3gis s TYR 413 CO 0.00 0.54 0.07 -1.50 -1.11 0.00 0.00 175.55 173.55 3gis s ILE 414 N -2.60 -0.04 0.21 2.71 2.07 -0.18 -4.83 121.20 118.54 3gis s ILE 414 Ca 0.34 0.14 -0.32 0.00 -1.41 0.00 0.00 60.65 59.39 3gis s ILE 414 Cb 0.03 -0.13 -0.14 0.00 0.13 0.00 0.00 42.46 42.35 3gis s ILE 414 CO 0.17 0.06 1.36 -0.11 -1.91 0.00 0.00 174.94 174.52 3gis n LEU 415 N 3.84 2.65 -4.41 8.50 7.94 -1.26 -1.17 117.00 133.10 3gis n LEU 415 Ca -0.23 1.13 -0.20 0.00 -1.11 0.00 0.00 56.01 55.61 3gis n LEU 415 Cb 0.53 -1.37 -0.10 0.00 0.53 0.00 0.00 43.42 43.02 3gis n LEU 415 CO 0.21 -0.69 -0.25 -0.62 -1.11 0.00 0.00 177.39 174.94 3gis s ASP 416 N 0.30 1.99 0.22 1.96 3.68 0.74 -4.85 116.67 120.70 3gis s ASP 416 Ca 0.71 -1.43 -0.32 0.00 2.13 0.00 0.00 52.55 53.64 3gis s ASP 416 Cb -0.72 0.11 -0.14 0.00 -1.45 0.00 0.00 42.92 40.72 3gis s ASP 416 CO 0.49 -0.71 1.33 0.47 0.13 0.00 0.00 175.17 176.88 3gis n ASP 417 N -0.71 2.29 -0.14 -0.34 10.43 -1.26 -3.48 116.55 123.33 3gis n ASP 417 Ca -0.02 1.14 0.00 0.00 2.57 0.00 0.00 54.79 58.48 3gis n ASP 417 Cb 0.66 -1.36 0.00 0.00 1.84 0.00 0.00 41.12 42.26 3gis n ASP 417 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gis n GLY 418 N 2.12 0.95 3.49 0.44 0.00 -1.26 -4.28 105.19 106.65 3gis n GLY 418 Ca 0.13 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 3gis n GLY 418 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gis n PHE 419 N -2.40 -2.03 -4.35 1.61 3.72 -1.23 -4.94 117.46 107.83 3gis n PHE 419 Ca 0.00 0.65 -0.21 0.00 -0.05 0.00 0.00 57.45 57.84 3gis n PHE 419 Cb 0.33 -3.70 -0.11 0.00 -0.94 0.00 0.00 39.48 35.06 3gis n PHE 419 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3gis s ILE 420 N -3.12 1.85 -0.19 4.37 -4.36 -1.23 -0.94 121.20 117.58 3gis s ILE 420 Ca 0.48 -2.09 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 3gis s ILE 420 Cb -0.24 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.48 3gis s ILE 420 CO 0.59 -0.44 -0.02 0.00 0.24 0.00 0.00 174.94 175.30 3gis s THR 422 N 0.89 4.54 0.15 0.00 2.01 -0.31 -1.34 115.64 121.58 3gis s THR 422 Ca 0.00 -0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.53 3gis s THR 422 Cb -0.14 -2.92 -0.09 0.00 0.01 0.00 0.00 72.50 69.35 3gis s THR 422 CO 0.02 0.61 1.46 -0.62 -0.69 0.00 0.00 174.62 175.39 3gis s ASP 423 N -0.89 6.72 -0.21 3.53 2.15 0.49 -1.01 116.67 127.45 3gis s ASP 423 Ca 0.13 2.48 -0.28 0.00 0.43 0.00 0.00 52.55 55.31 3gis s ASP 423 Cb -0.11 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3gis s ASP 423 CO 0.03 -0.72 1.00 -0.63 -0.17 0.00 0.00 175.17 174.68 3gis s ILE 424 N 0.95 4.72 -0.93 4.11 1.01 -0.46 -4.93 121.20 125.67 3gis s ILE 424 Ca 0.66 1.95 -0.20 0.00 0.00 0.00 0.00 60.65 63.06 3gis s ILE 424 Cb -0.40 -4.28 0.11 0.00 0.01 0.00 0.00 42.46 37.91 3gis s ILE 424 CO 0.32 -0.13 1.17 -0.62 0.00 0.00 0.00 174.94 175.69 3gis s ASP 425 N 1.20 6.59 0.63 3.58 3.68 -1.26 -4.84 116.67 126.24 3gis s ASP 425 Ca 0.43 -1.90 0.36 0.00 2.13 0.00 0.00 52.55 53.57 3gis s ASP 425 Cb -0.16 -2.43 2.07 0.00 -1.45 0.00 0.00 42.92 40.96 3gis s ASP 425 CO 0.08 -1.15 2.29 -0.33 0.13 0.00 0.00 175.17 176.18 3gis h GLU 426 N 9.02 0.00 0.17 4.34 3.07 -1.93 -0.28 114.58 128.97 3gis h GLU 426 Ca 0.14 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 3gis h GLU 426 Cb 1.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 3gis h GLU 426 CO 1.16 0.00 -0.08 0.00 -1.40 0.00 0.00 179.01 178.69 3gis h GLU 428 N -0.92 0.04 -0.10 0.00 4.22 -1.92 -2.87 114.58 113.03 3gis h GLU 428 Ca -0.02 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 59.25 3gis h GLU 428 Cb 0.49 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3gis h GLU 428 CO 0.04 0.30 -0.55 -0.97 -2.18 0.00 0.00 179.01 175.64 3gis h ASN 429 N 0.04 0.66 -4.13 1.04 -1.24 -1.11 -3.50 115.58 107.33 3gis h ASN 429 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 56.30 56.36 3gis h ASN 429 Cb 0.48 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.33 3gis h ASN 429 CO 0.03 1.20 0.00 0.61 -1.29 0.00 0.00 177.43 177.99 3gis n GLY 430 N 0.75 -2.00 1.21 1.57 0.00 -0.34 -4.98 105.19 101.40 3gis n GLY 430 Ca -0.08 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3gis n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gis n GLY 431 N -1.47 0.75 0.07 -0.02 0.00 -1.26 -4.90 105.19 98.36 3gis n GLY 431 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3gis n GLY 431 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gis n PHE 432 N -2.00 0.00 -4.18 1.61 3.72 -1.26 -5.00 117.46 110.35 3gis n PHE 432 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3gis n PHE 432 Cb 0.00 -0.57 -0.17 0.00 -0.94 0.00 0.00 39.48 37.81 3gis n PHE 432 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gis h SER 434 N 7.35 0.00 -0.20 0.00 0.02 -1.94 -3.47 113.55 115.30 3gis h SER 434 Ca -0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3gis h SER 434 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3gis h SER 434 CO 0.44 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 3gis n GLY 435 N 1.15 1.86 3.72 -3.77 0.00 -1.26 -5.03 105.19 101.86 3gis n GLY 435 Ca 0.03 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3gis n GLY 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gis s VAL 436 N 2.76 3.96 -0.03 1.61 1.01 -1.13 -4.90 120.40 123.68 3gis s VAL 436 Ca 0.00 1.53 0.05 0.00 0.00 0.00 0.00 61.98 63.56 3gis s VAL 436 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3gis s VAL 436 CO 0.00 0.19 -0.17 0.00 0.00 0.00 0.00 175.10 175.11 3gis s HIS 438 N -0.73 1.82 0.19 0.00 5.65 -0.29 -4.97 115.29 116.97 3gis s HIS 438 Ca 0.12 -1.19 -0.30 0.00 0.25 0.00 0.00 55.06 53.93 3gis s HIS 438 Cb -0.10 -1.37 -0.08 0.00 -1.18 0.00 0.00 32.58 29.85 3gis s HIS 438 CO 0.01 -0.65 1.14 1.21 -0.65 0.00 0.00 174.74 175.80 3gis s ASN 439 N 1.59 7.19 0.20 9.88 2.47 -1.26 -0.10 114.94 134.91 3gis s ASN 439 Ca -0.00 2.17 0.07 0.00 0.42 0.00 0.00 52.86 55.51 3gis s ASN 439 Cb -0.16 -2.61 -0.05 0.00 -1.45 0.00 0.00 41.25 36.99 3gis s ASN 439 CO -0.08 -0.27 -0.13 -0.76 -3.72 0.00 0.00 177.10 172.14 3gis s LEU 440 N -0.43 2.54 -0.56 3.21 1.43 -0.81 -4.89 118.68 119.16 3gis s LEU 440 Ca 0.50 -1.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 3gis s LEU 440 Cb -0.31 -0.60 0.00 0.00 0.03 0.00 0.00 46.19 45.32 3gis s LEU 440 CO 0.36 -0.22 1.55 -2.84 0.23 0.00 0.00 176.35 175.44 3gis s PRO 441 N -3.67 3.13 0.00 1.29 0.02 -1.26 -2.69 135.00 131.81 3gis s PRO 441 Ca 0.22 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.78 3gis s PRO 441 Cb 0.00 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.32 3gis s PRO 441 CO 0.06 -2.14 0.00 0.41 -0.33 0.00 0.00 177.00 175.00 3gis n GLY 442 N 5.39 3.06 0.00 0.52 0.00 -1.26 -4.93 105.19 107.97 3gis n GLY 442 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3gis n GLY 442 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3gis n THR 443 N -1.24 0.00 -3.58 2.61 5.66 -1.10 -3.76 114.28 112.88 3gis n THR 443 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 3gis n THR 443 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 3gis n THR 443 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3gis s PHE 444 N -0.11 -0.22 -0.16 1.09 -0.71 -1.26 -1.93 117.98 114.68 3gis s PHE 444 Ca 0.00 0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 56.06 3gis s PHE 444 Cb 0.00 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 3gis s PHE 444 CO 0.00 -0.29 0.05 -1.21 -1.34 0.00 0.00 175.22 172.43 3gis s GLU 445 N -2.10 3.78 -0.33 1.99 2.02 0.85 -1.03 118.70 123.88 3gis s GLU 445 Ca 0.06 -0.35 0.03 0.00 0.02 0.00 0.00 54.97 54.73 3gis s GLU 445 Cb -0.01 -3.13 0.10 0.00 0.10 0.00 0.00 34.13 31.19 3gis s GLU 445 CO -0.05 0.37 0.04 0.00 0.02 0.00 0.00 175.26 175.65 3gis s ILE 447 N 1.02 4.82 0.00 0.00 -4.36 -0.66 -2.25 121.20 119.77 3gis s ILE 447 Ca 0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.23 3gis s ILE 447 Cb -0.19 -4.29 0.00 0.00 1.25 0.00 0.00 42.46 39.24 3gis s ILE 447 CO -0.10 -0.76 0.00 0.00 0.24 0.00 0.00 174.94 174.32 3gis n GLY 449 N 5.00 -2.15 3.74 0.00 0.00 -1.26 -2.85 105.19 107.67 3gis n GLY 449 Ca 0.00 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3gis n GLY 449 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gis s PRO 450 N -2.31 2.38 0.00 1.61 0.04 -1.26 -4.67 135.00 130.79 3gis s PRO 450 Ca 0.00 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.61 3gis s PRO 450 Cb 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3gis s PRO 450 CO 0.00 -1.61 0.37 -0.40 0.04 0.00 0.00 177.00 175.40 3gis n ASP 451 N -2.68 0.94 0.00 6.66 5.75 -1.26 -1.34 116.55 124.62 3gis n ASP 451 Ca 0.12 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.80 3gis n ASP 451 Cb 0.51 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.33 3gis n ASP 451 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3gis n SER 452 N 0.40 0.63 -2.69 -1.12 2.88 -1.26 -4.87 113.62 107.59 3gis n SER 452 Ca 0.00 -0.12 -0.08 0.00 -1.33 0.00 0.00 58.87 57.35 3gis n SER 452 Cb 0.19 0.36 0.09 0.00 -0.75 0.00 0.00 64.21 64.10 3gis n SER 452 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gis n ALA 453 N -0.42 1.79 -1.78 -1.46 0.00 -0.45 -5.14 120.51 113.06 3gis n ALA 453 Ca 0.00 -1.81 -0.36 0.00 0.00 0.00 0.00 53.44 51.27 3gis n ALA 453 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 3gis n ALA 453 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gis s LEU 454 N -3.16 3.95 -0.30 0.00 2.34 -0.71 -4.26 118.68 116.55 3gis s LEU 454 Ca 0.23 2.14 -0.10 0.00 0.06 0.00 0.00 54.13 56.47 3gis s LEU 454 Cb 0.41 -4.36 0.19 0.00 -0.56 0.00 0.00 46.19 41.87 3gis s LEU 454 CO -0.05 -0.86 1.01 0.00 -1.06 0.00 0.00 176.35 175.39 3gis s ALA 455 N -1.70 -3.95 0.43 1.48 0.00 -1.13 -5.02 121.76 111.86 3gis s ALA 455 Ca 0.65 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.98 3gis s ALA 455 Cb -0.24 -2.83 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3gis s ALA 455 CO 0.28 -2.11 0.44 0.41 0.00 0.00 0.00 175.76 174.79 3gis n GLY 456 N 5.01 2.43 3.80 0.00 0.00 -1.26 -4.34 105.19 110.83 3gis n GLY 456 Ca 0.09 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 3gis n GLY 456 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gis s GLN 457 N -3.84 2.22 -0.12 1.61 0.00 -0.95 -4.92 119.66 113.66 3gis s GLN 457 Ca 0.34 -2.36 0.00 0.00 -0.00 0.00 0.00 55.36 53.34 3gis s GLN 457 Cb -0.03 -1.63 -0.02 0.00 0.00 0.00 0.00 33.01 31.34 3gis s GLN 457 CO 0.21 -0.44 -0.13 0.42 0.00 0.00 0.00 175.29 175.35 3gis s ILE 458 N -2.87 3.07 0.00 3.63 1.01 -1.26 -1.62 121.20 123.16 3gis s ILE 458 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.07 3gis s ILE 458 Cb 0.00 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.19 3gis s ILE 458 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3gis n GLY 459 N 3.38 1.57 3.15 6.18 0.00 -0.20 -4.97 105.19 114.31 3gis n GLY 459 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 3gis n GLY 459 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gis s THR 460 N -3.40 0.44 0.00 2.61 -4.23 -1.26 -4.96 115.64 104.84 3gis s THR 460 Ca 0.00 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3gis s THR 460 Cb 0.00 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3gis s THR 460 CO 0.00 -0.77 0.00 -0.67 -0.54 0.00 0.00 174.62 172.64 3gis n ASP 461 N -0.04 0.00 -0.08 3.99 2.03 -1.24 -4.59 116.55 116.63 3gis n ASP 461 Ca -0.10 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.14 3gis n ASP 461 Cb 0.62 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.88 3gis n ASP 461 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28