#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gis n PRO 350 N 0.00 0.08 0.00 -0.67 -0.02 -1.26 -2.45 135.00 130.68 3gis n PRO 350 Ca 0.00 0.57 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 3gis n PRO 350 Cb 0.00 -1.77 0.66 0.00 -0.02 0.00 0.00 33.50 32.37 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 0.01 -0.90 -0.47 0.00 -0.00 -1.96 -2.59 116.94 111.04 3gis h PHE 352 Ca 0.00 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.97 57.75 3gis h PHE 352 Cb 0.43 0.33 -0.13 0.00 -0.00 0.00 0.00 35.95 36.58 3gis h PHE 352 CO 0.00 -0.49 0.27 2.89 -0.00 0.00 0.00 178.31 180.98 3gis n ARG 353 N -5.46 1.89 -3.82 6.09 0.00 -1.26 -4.88 116.66 109.22 3gis n ARG 353 Ca -0.11 -1.54 -0.36 0.00 -0.00 0.00 0.00 57.85 55.83 3gis n ARG 353 Cb 0.36 -1.65 -0.06 0.00 -0.00 0.00 0.00 32.46 31.10 3gis n ARG 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3gis s ALA 354 N -1.72 3.86 -0.59 2.89 0.00 -0.98 -5.01 121.76 120.22 3gis s ALA 354 Ca 0.29 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3gis s ALA 354 Cb 0.24 -2.02 0.42 0.00 0.00 0.00 0.00 23.12 21.75 3gis s ALA 354 CO 0.06 0.62 1.65 -1.71 0.00 0.00 0.00 175.76 176.38 3gis n ASN 355 N 1.75 6.42 -4.68 0.00 5.15 -1.26 -5.03 115.26 117.61 3gis n ASN 355 Ca -0.17 -3.78 -0.42 0.00 -0.60 0.00 0.00 54.58 49.61 3gis n ASN 355 Cb 0.54 -0.75 -0.03 0.00 -0.53 0.00 0.00 39.78 39.01 3gis n ASN 355 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gis h GLU 357 N 9.11 1.18 0.00 0.00 4.81 -1.10 -3.40 114.58 125.17 3gis h GLU 357 Ca -0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3gis h GLU 357 Cb 1.21 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3gis h GLU 357 CO 0.94 0.78 0.00 0.98 -0.73 0.00 0.00 179.01 180.98 3gis n TYR 358 N -4.46 0.00 -4.00 0.92 9.36 -1.26 -5.04 117.16 112.68 3gis n TYR 358 Ca 0.10 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.24 3gis n TYR 358 Cb 0.02 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.63 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 -0.55 0.51 -0.10 2.98 -0.21 -1.21 -5.06 119.66 116.03 3gis s GLN 359 Ca 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.53 3gis s GLN 359 Cb 0.00 0.18 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 3gis s GLN 359 CO 0.00 -0.10 -0.09 0.00 -2.12 0.00 0.00 175.29 172.97 3gis s GLN 361 N -0.26 2.43 0.05 0.00 2.00 -0.60 -4.94 119.66 118.33 3gis s GLN 361 Ca 0.03 -1.29 -0.30 0.00 -2.00 0.00 0.00 55.36 51.79 3gis s GLN 361 Cb -0.13 -3.27 -0.09 0.00 0.80 0.00 0.00 33.01 30.33 3gis s GLN 361 CO 0.03 -0.66 1.80 -2.14 -0.50 0.00 0.00 175.29 173.81 3gis s PRO 362 N 1.27 4.16 -0.19 1.67 0.02 -1.26 -1.28 135.00 139.40 3gis s PRO 362 Ca -0.03 2.47 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 3gis s PRO 362 Cb -0.20 -3.83 -0.21 0.00 0.02 0.00 0.00 34.50 30.28 3gis s PRO 362 CO -0.01 -0.85 0.39 -0.07 -0.33 0.00 0.00 177.00 176.13 3gis h LEU 363 N 9.48 0.00 0.00 -5.54 3.38 -1.58 -3.48 115.31 117.57 3gis h LEU 363 Ca -0.45 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 56.86 3gis h LEU 363 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3gis h LEU 363 CO 0.94 1.33 0.00 -0.46 0.09 0.00 0.00 178.44 180.34 3gis n ASN 364 N -4.49 0.97 -0.01 -0.43 0.23 -1.06 -5.00 115.26 105.47 3gis n ASN 364 Ca -0.25 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 53.89 3gis n ASN 364 Cb 0.61 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.19 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 0.78 0.00 -3.83 3.00 -1.26 -4.53 117.38 111.54 3gis n GLN 365 Ca 0.00 -0.11 0.02 0.00 -0.01 0.00 0.00 57.00 56.91 3gis n GLN 365 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 30.24 28.82 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 -1.88 0.00 -4.19 5.09 -1.04 -1.26 -4.30 114.28 106.69 3gis n THR 366 Ca -0.01 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 3gis n THR 366 Cb 0.40 1.01 -0.10 0.00 -1.82 0.00 0.00 70.33 69.82 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 -1.40 0.75 0.37 8.00 1.04 -1.26 -4.99 113.70 116.21 3gis s SER 367 Ca 0.02 -1.19 -0.14 0.00 0.48 0.00 0.00 55.95 55.12 3gis s SER 367 Cb 0.04 0.21 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3gis s SER 367 CO 0.19 -0.65 0.73 -0.72 0.98 0.00 0.00 173.24 173.77 3gis s TYR 368 N -3.86 0.26 -0.17 5.02 -0.85 -1.26 -1.49 117.35 115.00 3gis s TYR 368 Ca 0.24 -0.85 -0.07 0.00 -0.52 0.00 0.00 57.07 55.88 3gis s TYR 368 Cb 0.07 0.67 0.07 0.00 0.38 0.00 0.00 41.96 43.15 3gis s TYR 368 CO 0.03 -1.47 0.36 -1.17 -1.52 0.00 0.00 175.55 171.78 3gis s LEU 369 N -3.09 -0.35 0.27 -3.49 2.96 -0.40 -4.81 118.68 109.76 3gis s LEU 369 Ca 0.18 0.82 -0.29 0.00 -0.22 0.00 0.00 54.13 54.62 3gis s LEU 369 Cb -0.04 1.12 -0.10 0.00 0.50 0.00 0.00 46.19 47.67 3gis s LEU 369 CO 0.13 -0.22 1.27 0.00 -1.32 0.00 0.00 176.35 176.21 3gis s VAL 371 N -0.61 1.24 0.37 0.00 -7.23 -0.45 -4.86 120.40 108.86 3gis s VAL 371 Ca 0.51 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 3gis s VAL 371 Cb -0.37 -2.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 3gis s VAL 371 CO 0.45 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 175.32 3gis s ALA 373 N -2.88 3.27 -0.01 0.00 0.00 -1.26 -4.92 121.76 115.97 3gis s ALA 373 Ca 0.12 -0.45 -0.36 0.00 0.00 0.00 0.00 51.96 51.27 3gis s ALA 373 Cb 0.01 -2.73 -0.15 0.00 0.00 0.00 0.00 23.12 20.25 3gis s ALA 373 CO 0.09 -0.61 1.61 -1.91 0.00 0.00 0.00 175.76 174.94 3gis n GLU 374 N -2.51 1.66 0.00 0.00 4.07 -1.26 -0.72 120.64 121.88 3gis n GLU 374 Ca 0.03 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.74 3gis n GLU 374 Cb 0.56 -2.34 0.00 0.00 -0.06 0.00 0.00 31.44 29.60 3gis n GLU 374 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gis n GLY 375 N 3.53 2.54 3.80 8.31 0.00 -1.26 -5.06 105.19 117.04 3gis n GLY 375 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.65 2.20 0.15 1.61 0.40 0.10 0.01 117.98 119.80 3gis s PHE 376 Ca 0.00 -0.72 -0.24 0.00 -0.60 0.00 0.00 56.93 55.38 3gis s PHE 376 Cb 0.00 -1.91 0.07 0.00 0.51 0.00 0.00 43.02 41.69 3gis s PHE 376 CO 0.00 -0.03 0.68 0.00 0.70 0.00 0.00 175.22 176.57 3gis s ALA 377 N -2.69 -1.58 0.36 5.36 0.00 -0.24 -4.66 121.76 118.31 3gis s ALA 377 Ca 0.34 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.46 3gis s ALA 377 Cb 0.01 0.80 -0.11 0.00 0.00 0.00 0.00 23.12 23.82 3gis s ALA 377 CO 0.19 -0.81 1.48 -2.14 0.00 0.00 0.00 175.76 174.48 3gis s PRO 378 N -3.66 4.14 0.15 0.00 0.02 -1.26 -1.83 135.00 132.56 3gis s PRO 378 Ca 0.04 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.28 3gis s PRO 378 Cb -0.02 -2.99 -0.07 0.00 0.02 0.00 0.00 34.50 31.44 3gis s PRO 378 CO -0.09 -0.50 1.10 0.42 -0.33 0.00 0.00 177.00 177.60 3gis s ILE 379 N -0.99 3.97 0.15 2.83 1.01 -0.43 -4.87 121.20 122.87 3gis s ILE 379 Ca 0.53 1.64 -0.19 0.00 0.00 0.00 0.00 60.65 62.63 3gis s ILE 379 Cb -0.46 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.01 3gis s ILE 379 CO 0.60 0.25 1.67 -0.65 0.00 0.00 0.00 174.94 176.81 3gis h PRO 380 N 5.43 -0.07 0.00 2.79 0.11 -1.92 -1.78 132.00 136.55 3gis h PRO 380 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gis h PRO 380 Cb 1.21 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3gis h PRO 380 CO 0.74 -0.05 -0.02 0.72 -0.21 0.00 0.00 178.00 179.17 3gis n HIS 381 N -5.30 0.14 -3.10 0.65 8.25 -1.26 -4.16 115.22 110.45 3gis n HIS 381 Ca 0.00 0.04 -0.19 0.00 -0.26 0.00 0.00 57.72 57.31 3gis n HIS 381 Cb 0.22 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.73 3gis n HIS 381 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3gis n GLU 382 N -1.62 0.80 0.21 -0.41 0.28 -1.05 -5.00 120.64 113.85 3gis n GLU 382 Ca 0.07 -2.96 0.04 0.00 -0.16 0.00 0.00 57.16 54.14 3gis n GLU 382 Cb 0.35 -1.35 0.21 0.00 1.43 0.00 0.00 31.44 32.08 3gis n GLU 382 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3gis h PRO 383 N 3.71 0.00 0.00 3.44 0.13 -1.49 0.60 132.00 138.39 3gis h PRO 383 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3gis h PRO 383 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3gis h PRO 383 CO 0.43 0.00 -0.45 -2.39 -0.23 0.00 0.00 178.00 175.36 3gis n HIS 384 N -2.08 0.43 -3.95 1.56 1.44 -1.26 -4.63 115.22 106.73 3gis n HIS 384 Ca -0.01 0.13 -0.26 0.00 -2.01 0.00 0.00 57.72 55.57 3gis n HIS 384 Cb 0.60 -0.59 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 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 -3.11 3.40 0.19 -1.40 1.81 0.21 -0.44 118.95 119.61 3gis s ARG 385 Ca 0.09 -0.61 0.11 0.00 -1.72 0.00 0.00 55.73 53.59 3gis s ARG 385 Cb 0.15 -2.94 -0.04 0.00 -0.45 0.00 0.00 34.95 31.66 3gis s ARG 385 CO 0.68 0.52 -0.24 0.00 -0.68 0.00 0.00 175.30 175.59 3gis s GLN 387 N -2.68 1.05 0.24 0.00 -2.07 -0.76 -4.88 119.66 110.55 3gis s GLN 387 Ca 0.20 -0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 53.16 3gis s GLN 387 Cb -0.08 0.48 -0.15 0.00 -1.09 0.00 0.00 33.01 32.18 3gis s GLN 387 CO 0.10 -0.39 1.13 1.28 -1.32 0.00 0.00 175.29 176.09 3gis n LEU 388 N 0.32 1.89 -4.25 2.60 4.77 -1.26 -1.08 117.00 119.98 3gis n LEU 388 Ca -0.18 1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 56.75 3gis n LEU 388 Cb 0.61 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.30 3gis n LEU 388 CO 0.19 -1.23 -0.48 0.12 -1.33 0.00 0.00 177.39 174.66 3gis s PHE 389 N -0.57 1.55 -0.29 -1.77 5.36 0.10 -4.72 117.98 117.64 3gis s PHE 389 Ca 0.66 -0.47 -0.16 0.00 -0.96 0.00 0.00 56.93 55.99 3gis s PHE 389 Cb -0.75 -0.83 0.16 0.00 -0.34 0.00 0.00 43.02 41.26 3gis s PHE 389 CO 0.55 0.17 1.04 0.00 -1.46 0.00 0.00 175.22 175.52 3gis n ASN 391 N 3.59 1.52 -4.61 0.00 0.23 -1.26 -4.61 115.26 110.12 3gis n ASN 391 Ca -0.18 -2.92 -0.23 0.00 -0.53 0.00 0.00 54.58 50.71 3gis n ASN 391 Cb 0.57 -0.39 -0.08 0.00 -2.08 0.00 0.00 39.78 37.80 3gis n ASN 391 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3gis s GLN 392 N -1.99 2.14 0.46 -3.83 -1.52 -1.26 -4.87 119.66 108.78 3gis s GLN 392 Ca 0.27 -1.54 0.15 0.00 -1.95 0.00 0.00 55.36 52.30 3gis s GLN 392 Cb 0.26 -2.05 1.05 0.00 -0.22 0.00 0.00 33.01 32.05 3gis s GLN 392 CO -0.03 0.32 2.01 1.15 -0.25 0.00 0.00 175.29 178.49 3gis h THR 393 N 1.95 1.08 -3.30 -0.19 2.02 -1.95 -3.43 112.91 109.08 3gis h THR 393 Ca -0.43 -0.58 -0.19 0.00 0.77 0.00 0.00 66.41 65.98 3gis h THR 393 Cb 1.25 1.31 -0.27 0.00 -1.74 0.00 0.00 68.15 68.71 3gis h THR 393 CO 0.61 0.16 -0.52 0.00 0.37 0.00 0.00 175.52 176.15 3gis s ALA 394 N -4.64 -0.43 0.02 6.16 0.00 -1.26 0.15 121.76 121.77 3gis s ALA 394 Ca -0.04 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3gis s ALA 394 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3gis s ALA 394 CO 0.69 -0.09 -0.04 0.00 0.00 0.00 0.00 175.76 176.32 3gis n PRO 396 N 1.72 2.15 -2.68 0.00 -0.02 -1.26 0.07 135.00 134.98 3gis n PRO 396 Ca -0.23 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3gis n PRO 396 Cb 0.55 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3gis n PRO 396 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gis s ALA 397 N -1.11 2.96 -1.08 3.55 0.00 -0.95 -4.61 121.76 120.51 3gis s ALA 397 Ca 0.56 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.89 3gis s ALA 397 Cb -0.55 -3.20 0.22 0.00 0.00 0.00 0.00 23.12 19.59 3gis s ALA 397 CO 0.62 -0.09 1.18 0.34 0.00 0.00 0.00 175.76 177.80 3gis s ASP 398 N -2.09 7.08 0.45 0.00 2.15 -0.95 -4.91 116.67 118.40 3gis s ASP 398 Ca 0.65 -3.09 -0.01 0.00 0.43 0.00 0.00 52.55 50.53 3gis s ASP 398 Cb -0.13 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.19 3gis s ASP 398 CO 0.17 -0.57 0.69 0.00 -0.17 0.00 0.00 175.17 175.28 3gis s ASP 400 N -4.19 7.05 0.31 0.00 2.15 -1.20 -4.90 116.67 115.91 3gis s ASP 400 Ca 0.48 2.11 0.04 0.00 0.43 0.00 0.00 52.55 55.60 3gis s ASP 400 Cb -0.10 -2.59 0.52 0.00 -0.30 0.00 0.00 42.92 40.46 3gis s ASP 400 CO 0.39 -0.46 1.81 1.55 -0.17 0.00 0.00 175.17 178.29 3gis h PRO 401 N 6.40 0.50 -2.07 4.34 0.13 -1.96 -3.36 132.00 135.98 3gis h PRO 401 Ca -0.42 -0.14 -0.53 0.00 -0.87 0.00 0.00 66.00 64.04 3gis h PRO 401 Cb 1.21 -0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.88 3gis h PRO 401 CO 0.80 0.61 -1.04 0.27 -0.23 0.00 0.00 178.00 178.42 3gis n ASN 402 N -4.21 1.56 -3.82 1.44 6.94 -1.26 -5.15 115.26 110.76 3gis n ASN 402 Ca 0.01 -3.10 -0.30 0.00 -0.02 0.00 0.00 54.58 51.17 3gis n ASN 402 Cb 0.31 -0.62 -0.15 0.00 -2.36 0.00 0.00 39.78 36.97 3gis n ASN 402 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gis s ALA 405 N -2.36 2.14 -0.42 -2.53 0.00 -1.26 -5.21 121.76 112.13 3gis s ALA 405 Ca 0.41 -2.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.06 3gis s ALA 405 Cb 0.28 -1.81 0.07 0.00 0.00 0.00 0.00 23.12 21.67 3gis s ALA 405 CO -0.09 -1.78 0.27 -1.54 0.00 0.00 0.00 175.76 172.62 3gis s SER 406 N 1.04 5.72 0.48 0.00 1.04 -1.26 -4.76 113.70 115.96 3gis s SER 406 Ca 0.12 -1.41 -0.14 0.00 0.48 0.00 0.00 55.95 55.00 3gis s SER 406 Cb -0.20 -2.02 -0.07 0.00 0.10 0.00 0.00 66.02 63.83 3gis s SER 406 CO -0.14 -0.53 0.91 0.00 0.98 0.00 0.00 173.24 174.46 3gis s GLU 408 N -4.00 1.22 0.06 0.00 0.41 -1.02 -4.94 118.70 110.42 3gis s GLU 408 Ca 0.56 -1.08 0.03 0.00 -0.41 0.00 0.00 54.97 54.07 3gis s GLU 408 Cb -0.10 -1.43 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 3gis s GLU 408 CO 0.32 0.35 -0.09 0.00 -0.49 0.00 0.00 175.26 175.35 3gis s PRO 410 N -1.99 2.72 0.35 0.00 0.04 -1.26 -4.92 135.00 129.95 3gis s PRO 410 Ca -0.05 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.62 3gis s PRO 410 Cb -0.07 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3gis s PRO 410 CO -0.00 -1.24 1.17 0.39 0.04 0.00 0.00 177.00 177.37 3gis n GLU 411 N -3.21 1.79 -0.18 4.56 -0.58 -1.26 -1.82 120.64 119.93 3gis n GLU 411 Ca 0.07 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3gis n GLU 411 Cb 0.54 -2.17 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 3gis n GLU 411 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gis n GLY 412 N 0.95 1.39 3.60 0.62 0.00 -1.25 -4.64 105.19 105.86 3gis n GLY 412 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.74 2.54 0.00 1.61 1.51 -0.76 -0.06 117.35 119.45 3gis s TYR 413 Ca 0.00 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3gis s TYR 413 Cb 0.00 -1.26 -0.00 0.00 -0.11 0.00 0.00 41.96 40.59 3gis s TYR 413 CO 0.00 0.59 -0.03 -1.50 -1.11 0.00 0.00 175.55 173.50 3gis s ILE 414 N -2.45 0.23 0.17 2.71 2.07 -0.10 -4.79 121.20 119.05 3gis s ILE 414 Ca 0.32 -0.23 -0.32 0.00 -1.41 0.00 0.00 60.65 59.02 3gis s ILE 414 Cb -0.04 -0.22 -0.12 0.00 0.13 0.00 0.00 42.46 42.21 3gis s ILE 414 CO 0.18 -0.00 1.74 -0.11 -1.91 0.00 0.00 174.94 174.84 3gis n LEU 415 N 2.83 3.87 -4.64 8.50 7.94 -1.26 -1.28 117.00 132.96 3gis n LEU 415 Ca -0.14 1.04 -0.30 0.00 -1.11 0.00 0.00 56.01 55.51 3gis n LEU 415 Cb 0.59 -1.54 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 3gis n LEU 415 CO 0.25 0.11 -0.21 -0.62 -1.11 0.00 0.00 177.39 175.81 3gis s ASP 416 N 1.63 3.46 0.60 1.96 3.68 0.11 -4.89 116.67 123.22 3gis s ASP 416 Ca 0.78 -1.71 -0.20 0.00 2.13 0.00 0.00 52.55 53.55 3gis s ASP 416 Cb -0.53 0.61 -0.03 0.00 -1.45 0.00 0.00 42.92 41.52 3gis s ASP 416 CO 0.35 -0.95 1.28 0.47 0.13 0.00 0.00 175.17 176.45 3gis n ASP 417 N -1.37 2.17 -0.20 -0.34 10.43 -1.26 -3.14 116.55 122.84 3gis n ASP 417 Ca -0.13 0.89 -0.02 0.00 2.57 0.00 0.00 54.79 58.10 3gis n ASP 417 Cb 0.66 -1.54 -0.01 0.00 1.84 0.00 0.00 41.12 42.06 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 0.90 0.52 3.63 0.44 0.00 -1.26 -3.77 105.19 105.66 3gis n GLY 418 Ca 0.13 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.09 -1.98 -4.41 1.61 3.72 -1.19 -4.92 117.46 107.20 3gis n PHE 419 Ca -0.02 0.56 -0.19 0.00 -0.05 0.00 0.00 57.45 57.74 3gis n PHE 419 Cb 0.15 -3.64 -0.14 0.00 -0.94 0.00 0.00 39.48 34.91 3gis n PHE 419 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3gis s ILE 420 N -3.50 0.88 -0.37 4.37 1.01 -1.21 -2.24 121.20 120.15 3gis s ILE 420 Ca 0.41 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 3gis s ILE 420 Cb -0.13 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.58 3gis s ILE 420 CO 0.84 0.16 0.53 0.00 0.00 0.00 0.00 174.94 176.46 3gis s THR 422 N 2.43 5.42 0.36 0.00 2.01 -0.41 -1.47 115.64 123.99 3gis s THR 422 Ca 0.19 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.21 3gis s THR 422 Cb -0.15 -3.47 -0.11 0.00 0.01 0.00 0.00 72.50 68.78 3gis s THR 422 CO 0.14 0.57 1.52 -0.67 -0.69 0.00 0.00 174.62 175.49 3gis n ASP 423 N 2.31 3.84 -4.70 3.53 2.03 0.12 -0.92 116.55 122.76 3gis n ASP 423 Ca -0.18 1.21 -0.41 0.00 0.52 0.00 0.00 54.79 55.93 3gis n ASP 423 Cb 0.54 -1.62 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 3gis n ASP 423 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gis s ILE 424 N -0.88 4.94 -0.92 5.18 1.01 0.91 -4.84 121.20 126.60 3gis s ILE 424 Ca 0.55 1.68 -0.16 0.00 0.00 0.00 0.00 60.65 62.72 3gis s ILE 424 Cb -0.48 -4.15 0.17 0.00 0.01 0.00 0.00 42.46 38.01 3gis s ILE 424 CO 0.61 0.14 1.02 -0.62 0.00 0.00 0.00 174.94 176.09 3gis s ASP 425 N 0.98 6.73 0.61 3.58 3.68 -1.26 -4.80 116.67 126.18 3gis s ASP 425 Ca 0.42 -2.40 0.34 0.00 2.13 0.00 0.00 52.55 53.04 3gis s ASP 425 Cb -0.18 -2.33 1.96 0.00 -1.45 0.00 0.00 42.92 40.92 3gis s ASP 425 CO 0.19 -0.84 2.27 -0.33 0.13 0.00 0.00 175.17 176.58 3gis h GLU 426 N 8.27 0.00 0.05 4.34 3.07 -1.94 -1.32 114.58 127.06 3gis h GLU 426 Ca 0.15 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3gis h GLU 426 Cb 1.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3gis h GLU 426 CO 0.99 0.01 -0.03 0.00 -1.40 0.00 0.00 179.01 178.59 3gis h GLU 428 N -0.74 0.00 -0.12 0.00 3.07 -1.92 -3.09 114.58 111.78 3gis h GLU 428 Ca -0.01 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3gis h GLU 428 Cb 0.62 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3gis h GLU 428 CO 0.01 0.43 0.00 -0.97 -1.40 0.00 0.00 179.01 177.08 3gis h ASN 429 N 0.00 0.20 -4.36 1.42 -1.24 -1.27 -3.50 115.58 106.84 3gis h ASN 429 Ca -0.00 -0.30 0.00 0.00 0.71 0.00 0.00 56.30 56.70 3gis h ASN 429 Cb 0.85 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.85 3gis h ASN 429 CO 0.06 0.46 0.00 0.61 -1.29 0.00 0.00 177.43 177.26 3gis n GLY 430 N -0.30 -0.80 2.60 1.57 0.00 -0.56 -4.96 105.19 102.74 3gis n GLY 430 Ca -0.06 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.73 2.63 0.10 -0.02 0.00 -1.26 -4.80 105.19 101.11 3gis n GLY 431 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.42 -4.22 1.61 3.72 -1.26 -4.95 117.46 110.78 3gis n PHE 432 Ca 0.00 0.14 -0.17 0.00 -0.05 0.00 0.00 57.45 57.37 3gis n PHE 432 Cb 0.00 -1.08 -0.15 0.00 -0.94 0.00 0.00 39.48 37.32 3gis n PHE 432 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gis n SER 434 N 3.16 0.66 0.00 0.00 7.64 -1.26 -4.96 113.62 118.86 3gis n SER 434 Ca -0.16 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.28 3gis n SER 434 Cb 0.56 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 3gis n SER 434 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gis n GLY 435 N 1.42 3.97 3.65 0.23 0.00 -1.26 -5.05 105.19 108.15 3gis n GLY 435 Ca 0.03 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 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 4.29 4.66 -0.15 1.61 1.01 0.67 -4.87 120.40 127.62 3gis s VAL 436 Ca 0.00 1.81 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 3gis s VAL 436 Cb 0.00 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 3gis s VAL 436 CO 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 175.10 174.82 3gis s HIS 438 N 0.14 2.71 0.17 0.00 5.65 0.10 -4.91 115.29 119.16 3gis s HIS 438 Ca 0.00 -1.26 -0.29 0.00 0.25 0.00 0.00 55.06 53.77 3gis s HIS 438 Cb -0.13 -1.85 -0.07 0.00 -1.18 0.00 0.00 32.58 29.35 3gis s HIS 438 CO 0.02 -0.58 0.91 1.21 -0.65 0.00 0.00 174.74 175.66 3gis s ASN 439 N 0.84 7.53 0.15 9.88 2.47 -1.26 -0.77 114.94 133.78 3gis s ASN 439 Ca -0.06 1.82 0.06 0.00 0.42 0.00 0.00 52.86 55.11 3gis s ASN 439 Cb -0.15 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 37.03 3gis s ASN 439 CO -0.02 0.08 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.54 3gis s LEU 440 N -0.69 2.46 -0.17 3.21 1.43 -0.94 -4.91 118.68 119.07 3gis s LEU 440 Ca 0.42 -0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 3gis s LEU 440 Cb -0.24 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 3gis s LEU 440 CO 0.30 -0.16 1.70 -2.84 0.23 0.00 0.00 176.35 175.59 3gis s PRO 441 N -3.02 3.84 0.00 1.29 0.02 -1.26 -2.31 135.00 133.56 3gis s PRO 441 Ca 0.14 1.88 0.00 0.00 0.02 0.00 0.00 61.00 63.03 3gis s PRO 441 Cb -0.03 -4.06 0.00 0.00 0.02 0.00 0.00 34.50 30.42 3gis s PRO 441 CO 0.04 -1.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.87 3gis n GLY 442 N 4.63 1.90 0.00 0.52 0.00 -1.26 -4.81 105.19 106.17 3gis n GLY 442 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.00 -3.53 2.61 5.66 -0.98 -3.87 114.28 112.17 3gis n THR 443 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 3gis n THR 443 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 -1.08 -0.31 -0.12 1.09 -0.71 -1.26 -2.22 117.98 113.38 3gis s PHE 444 Ca 0.00 0.16 -0.00 0.00 -1.04 0.00 0.00 56.93 56.05 3gis s PHE 444 Cb 0.00 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 3gis s PHE 444 CO 0.00 -0.56 -0.10 -2.00 -1.34 0.00 0.00 175.22 171.22 3gis s GLU 445 N -3.11 3.26 -0.19 1.99 2.12 0.05 -0.51 118.70 122.31 3gis s GLU 445 Ca 0.06 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.77 3gis s GLU 445 Cb -0.01 -2.67 0.04 0.00 0.26 0.00 0.00 34.13 31.75 3gis s GLU 445 CO -0.08 0.34 -0.09 0.00 -0.54 0.00 0.00 175.26 174.89 3gis s ILE 447 N 1.45 4.14 0.02 0.00 1.09 0.13 -1.34 121.20 126.69 3gis s ILE 447 Ca -0.01 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 58.87 3gis s ILE 447 Cb -0.16 -2.87 0.01 0.00 -1.06 0.00 0.00 42.46 38.38 3gis s ILE 447 CO -0.08 0.34 0.08 0.00 -0.10 0.00 0.00 174.94 175.18 3gis n GLY 449 N -0.05 -0.61 3.74 0.00 0.00 -1.26 -1.68 105.19 105.33 3gis n GLY 449 Ca -0.00 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 3gis n GLY 449 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gis n PRO 450 N -0.65 2.68 0.10 1.61 -0.04 -1.26 -4.77 135.00 132.66 3gis n PRO 450 Ca 0.00 0.95 0.05 0.00 -0.04 0.00 0.00 63.50 64.46 3gis n PRO 450 Cb 0.00 -2.73 0.27 0.00 -0.04 0.00 0.00 33.50 31.00 3gis n PRO 450 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gis n ASP 451 N 2.03 0.25 0.06 3.54 5.68 -1.26 -0.66 116.55 126.19 3gis n ASP 451 Ca 0.08 0.52 -0.15 0.00 -0.50 0.00 0.00 54.79 54.74 3gis n ASP 451 Cb 0.37 -0.52 -0.14 0.00 -1.14 0.00 0.00 41.12 39.69 3gis n ASP 451 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3gis h SER 452 N 0.00 0.33 -2.10 -1.12 0.02 -1.98 -3.38 113.55 105.31 3gis h SER 452 Ca 0.00 -0.45 -0.52 0.00 -0.84 0.00 0.00 61.79 59.98 3gis h SER 452 Cb 0.34 -0.11 -0.41 0.00 0.14 0.00 0.00 62.40 62.37 3gis h SER 452 CO 0.00 1.37 -1.00 0.00 -1.14 0.00 0.00 176.83 176.07 3gis n ALA 453 N -2.63 2.96 -1.65 3.77 0.00 0.17 -5.11 120.51 118.03 3gis n ALA 453 Ca -0.15 -3.87 -0.40 0.00 0.00 0.00 0.00 53.44 49.03 3gis n ALA 453 Cb 1.03 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 19.65 3gis n ALA 453 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gis n LEU 454 N 0.14 3.61 -4.24 0.00 4.77 -0.80 -4.45 117.00 116.04 3gis n LEU 454 Ca 0.27 0.97 -0.29 0.00 -0.03 0.00 0.00 56.01 56.94 3gis n LEU 454 Cb 0.56 -1.42 -0.16 0.00 -2.33 0.00 0.00 43.42 40.07 3gis n LEU 454 CO 0.26 -1.30 -0.54 0.00 -1.33 0.00 0.00 177.39 174.47 3gis s ALA 455 N -1.34 1.89 0.08 -1.18 0.00 -0.67 -5.00 121.76 115.53 3gis s ALA 455 Ca 0.67 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.77 3gis s ALA 455 Cb -0.48 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 3gis s ALA 455 CO 0.53 0.42 -0.23 0.20 0.00 0.00 0.00 175.76 176.69 3gis s GLY 456 N -0.36 1.28 0.08 0.00 0.00 -1.26 -2.16 107.32 104.90 3gis s GLY 456 Ca 0.04 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.56 3gis s GLY 456 CO 0.01 -1.18 -0.08 1.20 0.00 0.00 0.00 173.10 173.05 3gis s GLN 457 N -1.58 0.72 -0.15 2.90 -1.52 -0.45 -4.98 119.66 114.61 3gis s GLN 457 Ca 0.09 -1.10 -0.00 0.00 -1.95 0.00 0.00 55.36 52.40 3gis s GLN 457 Cb -0.10 -0.28 0.03 0.00 -0.22 0.00 0.00 33.01 32.44 3gis s GLN 457 CO 0.03 0.02 -0.07 0.42 -0.25 0.00 0.00 175.29 175.44 3gis s ILE 458 N -2.64 1.16 0.00 1.08 1.01 -1.26 -0.28 121.20 120.26 3gis s ILE 458 Ca 0.03 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.16 3gis s ILE 458 Cb -0.01 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.22 3gis s ILE 458 CO -0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.79 3gis n GLY 459 N 4.88 1.95 3.14 6.18 0.00 0.34 -4.94 105.19 116.74 3gis n GLY 459 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.67 0.67 0.93 2.61 -4.23 -1.26 -4.95 115.64 106.73 3gis s THR 460 Ca 0.00 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 3gis s THR 460 Cb 0.00 -1.38 0.15 0.00 1.34 0.00 0.00 72.50 72.62 3gis s THR 460 CO 0.00 -0.72 1.12 -0.62 -0.54 0.00 0.00 174.62 173.85 3gis s ASP 461 N -2.62 2.87 -0.04 3.99 -1.08 -1.24 -4.63 116.67 113.93 3gis s ASP 461 Ca 0.06 1.98 -0.04 0.00 -0.52 0.00 0.00 52.55 54.02 3gis s ASP 461 Cb 0.01 -2.49 -0.04 0.00 -1.46 0.00 0.00 42.92 38.94 3gis s ASP 461 CO -0.03 -3.10 0.18 0.00 0.52 0.00 0.00 175.17 172.74