#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bze n GLY -20 N 0.00 -1.59 3.40 3.17 0.00 -1.26 -5.08 105.19 103.83 2bze n GLY -20 Ca 0.00 0.55 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 2bze n GLY -20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bze n SER -19 N 0.00 5.27 -3.03 1.61 3.41 -1.26 -4.74 113.62 114.89 2bze n SER -19 Ca 0.00 -3.00 -0.14 0.00 -0.26 0.00 0.00 58.87 55.47 2bze n SER -19 Cb 0.00 -1.54 -0.04 0.00 -0.26 0.00 0.00 64.21 62.38 2bze n SER -19 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2bze s SER -18 N 2.41 -0.25 -0.05 4.04 0.01 -1.26 -5.11 113.70 113.50 2bze s SER -18 Ca 0.41 -2.27 -0.01 0.00 1.31 0.00 0.00 55.95 55.39 2bze s SER -18 Cb -0.03 0.93 0.03 0.00 0.21 0.00 0.00 66.02 67.16 2bze s SER -18 CO -0.01 -0.10 0.02 -1.00 0.41 0.00 0.00 173.24 172.56 2bze s HIS -17 N 0.56 0.36 -1.05 2.43 3.76 -1.26 -5.06 115.29 115.02 2bze s HIS -17 Ca 0.31 0.02 -0.22 0.00 -0.15 0.00 0.00 55.06 55.02 2bze s HIS -17 Cb 0.01 -0.57 0.04 0.00 1.11 0.00 0.00 32.58 33.17 2bze s HIS -17 CO -0.11 -0.22 1.58 -3.38 -0.85 0.00 0.00 174.74 171.76 2bze s HIS -16 N 1.70 2.45 0.14 1.40 0.00 -1.26 -4.94 115.29 114.78 2bze s HIS -16 Ca -0.00 -0.72 -0.31 0.00 -3.00 0.00 0.00 55.06 51.03 2bze s HIS -16 Cb -0.13 -4.60 -0.10 0.00 -4.00 0.00 0.00 32.58 23.76 2bze s HIS -16 CO -0.03 -1.87 1.60 -1.01 -1.00 0.00 0.00 174.74 172.43 2bze s HIS -15 N 5.76 2.88 -1.05 0.38 4.02 -1.26 -4.87 115.29 121.15 2bze s HIS -15 Ca 0.51 0.52 -0.23 0.00 1.02 0.00 0.00 55.06 56.88 2bze s HIS -15 Cb -0.00 -3.95 -0.03 0.00 -1.02 0.00 0.00 32.58 27.58 2bze s HIS -15 CO -0.05 -3.60 1.83 -1.01 1.02 0.00 0.00 174.74 172.93 2bze s HIS -14 N 1.55 2.08 -0.15 1.40 0.09 -1.26 -4.85 115.29 114.15 2bze s HIS -14 Ca 0.71 0.08 -0.01 0.00 -0.00 0.00 0.00 55.06 55.85 2bze s HIS -14 Cb -0.43 -4.22 0.04 0.00 -0.00 0.00 0.00 32.58 27.97 2bze s HIS -14 CO 0.32 -1.63 -0.04 -1.58 -0.00 0.00 0.00 174.74 171.80 2bze s HIS -13 N 8.83 1.46 -0.34 1.40 5.04 -1.26 -5.10 115.29 125.32 2bze s HIS -13 Ca 0.64 -0.88 -0.25 0.00 -1.54 0.00 0.00 55.06 53.03 2bze s HIS -13 Cb -0.03 -1.21 0.01 0.00 0.04 0.00 0.00 32.58 31.40 2bze s HIS -13 CO 0.03 -0.56 0.86 -1.58 -2.34 0.00 0.00 174.74 171.14 2bze s HIS -12 N 1.71 3.14 -1.04 3.88 5.65 -1.26 -4.96 115.29 122.41 2bze s HIS -12 Ca 0.02 0.77 -0.23 0.00 0.25 0.00 0.00 55.06 55.87 2bze s HIS -12 Cb -0.15 -3.44 0.02 0.00 -1.18 0.00 0.00 32.58 27.83 2bze s HIS -12 CO -0.07 -0.71 1.66 -1.12 -0.65 0.00 0.00 174.74 173.84 2bze s SER -11 N 1.76 6.09 -1.14 9.88 0.01 -1.26 -4.90 113.70 124.14 2bze s SER -11 Ca 0.35 -1.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.02 2bze s SER -11 Cb -0.13 -2.57 0.10 0.00 0.21 0.00 0.00 66.02 63.63 2bze s SER -11 CO 0.16 -1.90 1.49 -0.44 0.41 0.00 0.00 173.24 172.96 2bze s SER -10 N 5.78 6.76 0.00 2.44 0.01 -1.26 -4.78 113.70 122.65 2bze s SER -10 Ca 0.55 -2.22 0.00 0.00 1.31 0.00 0.00 55.95 55.59 2bze s SER -10 Cb -0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2bze s SER -10 CO -0.03 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.07 2bze n GLY -9 N 5.55 0.48 2.99 3.44 0.00 -1.26 -5.05 105.19 111.34 2bze n GLY -9 Ca 0.38 -1.44 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 2bze n GLY -9 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bze s LEU -8 N 0.00 2.25 -0.23 0.99 2.34 -1.26 -5.10 118.68 117.67 2bze s LEU -8 Ca 0.00 -0.88 -0.14 0.00 0.06 0.00 0.00 54.13 53.17 2bze s LEU -8 Cb 0.00 -1.21 -0.04 0.00 -0.56 0.00 0.00 46.19 44.38 2bze s LEU -8 CO 0.00 -0.15 0.34 -0.69 -1.06 0.00 0.00 176.35 174.79 2bze s VAL -7 N 1.41 5.22 0.01 1.48 1.01 -1.26 -5.03 120.40 123.24 2bze s VAL -7 Ca -0.01 0.56 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 2bze s VAL -7 Cb -0.16 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.46 2bze s VAL -7 CO -0.08 0.24 1.94 -2.84 0.00 0.00 0.00 175.10 174.36 2bze s PRO -6 N 1.47 4.09 -0.17 2.72 0.02 -1.26 -4.91 135.00 136.96 2bze s PRO -6 Ca 0.16 2.52 -0.29 0.00 0.02 0.00 0.00 61.00 63.40 2bze s PRO -6 Cb -0.15 -4.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.19 2bze s PRO -6 CO 0.08 -1.01 1.48 -0.98 -0.33 0.00 0.00 177.00 176.24 2bze s ARG -5 N 4.51 4.05 -0.00 5.54 3.03 -1.26 -4.35 118.95 130.48 2bze s ARG -5 Ca 0.87 1.76 0.01 0.00 2.03 0.00 0.00 55.73 60.40 2bze s ARG -5 Cb -0.41 -3.92 0.02 0.00 -1.03 0.00 0.00 34.95 29.61 2bze s ARG -5 CO 0.40 -0.96 0.82 0.41 -1.13 0.00 0.00 175.30 174.83 2bze n GLY -4 N 4.14 0.09 0.16 3.88 0.00 -1.26 -3.36 105.19 108.84 2bze n GLY -4 Ca 0.16 -0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2bze n GLY -4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bze h SER -3 N 0.11 0.00 -2.23 1.61 0.02 -1.97 -3.41 113.55 107.68 2bze h SER -3 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bze h SER -3 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2bze h SER -3 CO 0.01 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 177.11 2bze n HIS -2 N -2.62 0.00 -4.35 3.45 8.25 -1.21 -5.08 115.22 113.65 2bze n HIS -2 Ca 0.04 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.28 2bze n HIS -2 Cb 0.44 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.44 2bze n HIS -2 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 2bze s MET -1 N -1.05 1.34 -0.02 -0.41 -2.45 -1.26 -3.31 119.30 112.14 2bze s MET -1 Ca 0.00 -1.47 -0.30 0.00 -1.25 0.00 0.00 55.69 52.67 2bze s MET -1 Cb 0.00 -1.40 -0.07 0.00 1.25 0.00 0.00 34.83 34.62 2bze s MET -1 CO 0.00 0.28 1.80 0.08 1.05 0.00 0.00 175.02 178.23 2bze s VAL 345 N -2.15 3.34 -0.03 10.11 1.01 0.94 -4.78 120.40 128.83 2bze s VAL 345 Ca 0.18 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.61 2bze s VAL 345 Cb -0.05 -3.27 0.06 0.00 0.00 0.00 0.00 36.38 33.12 2bze s VAL 345 CO 0.08 -0.04 0.89 -1.20 0.00 0.00 0.00 175.10 174.83 2bze n SER 346 N 7.43 0.86 -3.96 3.32 7.64 -1.26 -4.86 113.62 122.79 2bze n SER 346 Ca 0.19 -1.96 -0.20 0.00 1.01 0.00 0.00 58.87 57.91 2bze n SER 346 Cb 0.42 -0.16 -0.16 0.00 -1.01 0.00 0.00 64.21 63.31 2bze n SER 346 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bze s LEU 347 N -0.79 1.63 0.43 -3.43 1.43 -1.26 -4.98 118.68 111.70 2bze s LEU 347 Ca 0.07 -0.17 0.30 0.00 -1.03 0.00 0.00 54.13 53.30 2bze s LEU 347 Cb 0.06 -0.51 1.48 0.00 0.03 0.00 0.00 46.19 47.25 2bze s LEU 347 CO 0.01 0.02 1.90 -0.65 0.23 0.00 0.00 176.35 177.85 2bze h PRO 348 N 6.69 0.00 0.12 1.29 0.11 -1.93 -2.54 132.00 135.74 2bze h PRO 348 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 2bze h PRO 348 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bze h PRO 348 CO 0.48 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.15 2bze h GLU 349 N 0.00 -0.15 -0.00 1.05 4.39 -1.93 0.20 114.58 118.13 2bze h GLU 349 Ca 0.00 0.01 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 2bze h GLU 349 Cb 0.14 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2bze h GLU 349 CO 0.00 0.05 -0.77 0.93 -1.16 0.00 0.00 179.01 178.06 2bze h GLU 350 N -0.33 0.03 0.00 2.33 4.39 -1.89 -1.82 114.58 117.28 2bze h GLU 350 Ca -0.02 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2bze h GLU 350 Cb 0.27 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2bze h GLU 350 CO 0.03 0.78 -0.38 1.25 -1.16 0.00 0.00 179.01 179.53 2bze h LEU 351 N 0.02 0.00 -0.13 1.33 7.12 -1.38 -2.84 115.31 119.43 2bze h LEU 351 Ca -0.01 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.77 2bze h LEU 351 Cb 1.35 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.48 2bze h LEU 351 CO 0.10 0.38 -1.00 0.78 -0.13 0.00 0.00 178.44 178.57 2bze h ASN 352 N 0.00 0.35 0.22 1.25 2.35 0.20 -0.09 115.58 119.86 2bze h ASN 352 Ca -0.00 -0.31 -0.13 0.00 -0.55 0.00 0.00 56.30 55.30 2bze h ASN 352 Cb 0.92 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2bze h ASN 352 CO 0.05 1.15 -0.50 0.08 -1.65 0.00 0.00 177.43 176.56 2bze h ARG 353 N 0.12 0.32 -0.01 0.81 0.11 -1.23 -2.61 114.38 111.91 2bze h ARG 353 Ca -0.07 -0.19 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2bze h ARG 353 Cb 1.66 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.76 2bze h ARG 353 CO 0.16 0.75 -0.26 1.33 0.10 0.00 0.00 179.97 182.05 2bze n VAL 354 N -3.96 0.00 -2.33 0.08 0.24 -1.09 -4.78 118.33 106.50 2bze n VAL 354 Ca -0.02 -0.08 -0.42 0.00 -2.04 0.00 0.00 64.34 61.77 2bze n VAL 354 Cb 0.55 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 33.13 2bze n VAL 354 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2bze s ARG 355 N -2.61 4.37 0.12 7.34 3.00 -0.05 -2.50 118.95 128.62 2bze s ARG 355 Ca 0.22 1.87 0.05 0.00 -1.00 0.00 0.00 55.73 56.87 2bze s ARG 355 Cb 0.19 -3.36 -0.04 0.00 0.00 0.00 0.00 34.95 31.74 2bze s ARG 355 CO 0.55 -0.36 0.05 -0.51 0.00 0.00 0.00 175.30 175.02 2bze s LEU 356 N 1.34 3.62 0.31 -0.88 1.43 -0.26 -4.95 118.68 119.29 2bze s LEU 356 Ca 0.61 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.64 2bze s LEU 356 Cb -0.31 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2bze s LEU 356 CO 0.29 0.14 0.23 -0.94 0.23 0.00 0.00 176.35 176.29 2bze s SER 357 N -2.60 5.20 0.55 2.29 1.04 -1.26 -3.34 113.70 115.58 2bze s SER 357 Ca 0.28 -0.49 0.31 0.00 0.48 0.00 0.00 55.95 56.53 2bze s SER 357 Cb -0.11 -1.03 1.57 0.00 0.10 0.00 0.00 66.02 66.55 2bze s SER 357 CO 0.21 -0.25 2.10 0.08 0.98 0.00 0.00 173.24 176.35 2bze h ARG 358 N 1.39 0.00 0.00 4.02 0.11 -1.75 -1.11 114.38 117.04 2bze h ARG 358 Ca -0.45 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.55 2bze h ARG 358 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 2bze h ARG 358 CO 0.60 0.09 -0.34 0.45 0.10 0.00 0.00 179.97 180.86 2bze h HIS 359 N 0.00 0.00 0.10 4.08 3.86 -1.91 0.25 115.15 121.54 2bze h HIS 359 Ca -0.00 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 58.92 2bze h HIS 359 Cb 0.32 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.81 2bze h HIS 359 CO 0.00 0.34 -1.20 0.87 0.86 0.00 0.00 177.93 178.79 2bze h LYS 360 N 0.00 0.56 -0.62 2.45 1.57 -1.61 -2.46 116.57 116.47 2bze h LYS 360 Ca -0.00 -0.75 -0.09 0.00 -1.87 0.00 0.00 60.65 57.94 2bze h LYS 360 Cb 0.62 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2bze h LYS 360 CO 0.04 1.33 0.04 -0.07 -0.57 0.00 0.00 179.45 180.22 2bze h LEU 361 N 0.25 1.04 -0.16 2.94 3.38 -1.16 -2.27 115.31 119.33 2bze h LEU 361 Ca -0.17 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.55 2bze h LEU 361 Cb 1.88 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 2bze h LEU 361 CO 0.22 1.07 -0.10 -0.08 0.09 0.00 0.00 178.44 179.65 2bze h GLU 362 N 0.97 -0.10 0.00 1.13 4.22 -0.48 0.11 114.58 120.43 2bze h GLU 362 Ca 0.18 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.54 2bze h GLU 362 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2bze h GLU 362 CO 0.02 -0.06 -0.41 0.07 -2.18 0.00 0.00 179.01 176.45 2bze h ARG 363 N -0.10 0.00 -0.00 1.92 0.11 -1.27 -1.39 114.38 113.65 2bze h ARG 363 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 2bze h ARG 363 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 2bze h ARG 363 CO -0.22 0.41 -0.30 0.91 0.10 0.00 0.00 179.97 180.87 2bze n TRP 364 N -3.82 0.00 0.16 4.08 8.01 -0.87 -3.80 117.44 121.19 2bze n TRP 364 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 2bze n TRP 364 Cb 0.47 -0.19 0.25 0.00 -2.01 0.00 0.00 31.31 29.83 2bze n TRP 364 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2bze h HIS 366 N 0.00 0.00 -3.31 0.00 2.07 -1.68 -3.45 115.15 108.78 2bze h HIS 366 Ca -0.01 0.00 -0.35 0.00 -2.85 0.00 0.00 60.37 57.17 2bze h HIS 366 Cb 0.92 0.00 0.16 0.00 2.57 0.00 0.00 27.41 31.06 2bze h HIS 366 CO 0.00 0.00 0.23 -1.33 -3.07 0.00 0.00 177.93 173.76 2bze n MET 367 N -2.36 -1.93 0.00 5.12 2.00 -0.76 -5.09 117.12 114.11 2bze n MET 367 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 57.70 56.14 2bze n MET 367 Cb 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.43 2bze n MET 367 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2bze n PRO 368 N -3.82 0.14 -1.55 0.03 -0.02 -1.26 -4.87 135.00 123.64 2bze n PRO 368 Ca 0.13 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 2bze n PRO 368 Cb 0.49 0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.93 2bze n PRO 368 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2bze n PHE 369 N -1.39 1.45 1.06 6.00 -0.00 -1.26 -4.79 117.46 118.53 2bze n PHE 369 Ca 0.00 0.11 0.12 0.00 -0.00 0.00 0.00 57.45 57.68 2bze n PHE 369 Cb 0.00 -2.63 0.21 0.00 -0.00 0.00 0.00 39.48 37.05 2bze n PHE 369 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.76 178.73 2bze n PHE 370 N 14.75 0.00 -0.17 -5.13 1.16 -1.26 -4.27 117.46 122.54 2bze n PHE 370 Ca 0.38 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 56.14 2bze n PHE 370 Cb 0.49 -0.17 0.54 0.00 -1.61 0.00 0.00 39.48 38.73 2bze n PHE 370 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2bze h ALA 371 N 3.21 2.23 -0.60 1.98 0.00 -1.96 0.91 119.26 125.04 2bze h ALA 371 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2bze h ALA 371 Cb 0.52 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2bze h ALA 371 CO 0.00 -0.46 0.07 -0.22 0.00 0.00 0.00 179.25 178.64 2bze h LYS 372 N 0.34 1.01 -0.08 0.00 1.63 -1.95 -0.04 116.57 117.47 2bze h LYS 372 Ca 0.39 -0.28 -0.20 0.00 -0.85 0.00 0.00 60.65 59.71 2bze h LYS 372 Cb 1.02 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2bze h LYS 372 CO -0.11 0.96 -0.77 1.15 -3.45 0.00 0.00 179.45 177.22 2bze h THR 373 N 0.91 1.36 0.00 1.00 2.02 -1.19 -3.27 112.91 113.74 2bze h THR 373 Ca 0.18 -2.14 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 2bze h THR 373 Cb 0.46 2.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 2bze h THR 373 CO 0.02 0.65 -0.94 -0.37 0.37 0.00 0.00 175.52 175.25 2bze h VAL 374 N 0.33 0.03 -2.54 3.16 -1.51 -0.89 -3.44 116.25 111.39 2bze h VAL 374 Ca -0.04 -1.05 -0.54 0.00 -1.23 0.00 0.00 66.70 63.84 2bze h VAL 374 Cb 1.37 1.57 0.01 0.00 -2.13 0.00 0.00 31.29 32.10 2bze h VAL 374 CO 0.14 0.01 1.12 -0.89 -1.23 0.00 0.00 177.57 176.72 2bze s THR 375 N -3.33 3.29 0.00 7.19 2.01 -0.04 -0.92 115.64 123.84 2bze s THR 375 Ca -0.00 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2bze s THR 375 Cb 0.09 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.32 2bze s THR 375 CO 0.78 -0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 2bze n GLY 376 N 4.24 2.76 3.93 4.40 0.00 -0.08 -5.00 105.19 115.45 2bze n GLY 376 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2bze n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bze s PHE 378 N -3.08 2.05 0.23 0.00 0.08213.80 -0.12 117.98 330.94 2bze s PHE 378 Ca 0.57 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 57.30 2bze s PHE 378 Cb -0.11 -1.11 -0.05 0.00 -0.57 0.00 0.00 43.02 41.19 2bze s PHE 378 CO 0.44 0.29 -0.13 0.14 -0.10 0.00 0.00 175.22 175.86 2bze s VAL 379 N -1.18 1.75 -0.48 -0.44 -7.23 0.14 -1.10 120.40 111.86 2bze s VAL 379 Ca 0.11 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 57.85 2bze s VAL 379 Cb -0.10 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.73 2bze s VAL 379 CO 0.05 -0.52 0.80 -0.60 -0.31 0.00 0.00 175.10 174.53 2bze s ARG 380 N -3.66 3.35 -0.01 4.82 6.06 -1.21 -2.36 118.95 125.93 2bze s ARG 380 Ca 0.24 -0.24 0.07 0.00 -2.50 0.00 0.00 55.73 53.30 2bze s ARG 380 Cb 0.00 -3.99 -0.02 0.00 0.06 0.00 0.00 34.95 31.00 2bze s ARG 380 CO 0.08 -1.22 -0.22 -1.50 -2.50 0.00 0.00 175.30 169.94 2bze s ILE 381 N 3.37 2.42 -0.18 4.11 1.10 -1.06 0.03 121.20 131.00 2bze s ILE 381 Ca 0.28 -1.05 0.01 0.00 -0.51 0.00 0.00 60.65 59.38 2bze s ILE 381 Cb -0.13 -1.91 0.02 0.00 0.15 0.00 0.00 42.46 40.59 2bze s ILE 381 CO 0.20 0.53 -0.20 -0.83 -2.11 0.00 0.00 174.94 172.53 2bze s GLY 382 N -0.83 1.38 -0.41 1.50 0.00 -1.25 -0.37 107.32 107.35 2bze s GLY 382 Ca 0.11 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 2bze s GLY 382 CO 0.01 0.26 0.20 -0.26 0.00 0.00 0.00 173.10 173.31 2bze s ILE 383 N 1.26 3.43 0.00 0.90 -4.36 0.67 -4.43 121.20 118.68 2bze s ILE 383 Ca 0.04 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 2bze s ILE 383 Cb -0.13 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.29 2bze s ILE 383 CO -0.12 -0.63 0.00 0.61 0.24 0.00 0.00 174.94 175.04 2bze n GLY 384 N 4.66 1.00 2.51 6.27 0.00 -1.26 -4.40 105.19 113.97 2bze n GLY 384 Ca -0.04 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2bze n GLY 384 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2bze n ASN 385 N 1.12 6.51 0.00 1.61 2.04 -1.26 -3.55 115.26 121.72 2bze n ASN 385 Ca 0.00 -2.72 0.00 0.00 -0.44 0.00 0.00 54.58 51.42 2bze n ASN 385 Cb 0.30 -1.60 0.00 0.00 -2.53 0.00 0.00 39.78 35.96 2bze n ASN 385 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 2bze n HIS 386 N 4.66 0.00 -4.31 -2.53 8.25 -1.26 -5.00 115.22 115.03 2bze n HIS 386 Ca 0.66 -0.01 -0.22 0.00 -0.26 0.00 0.00 57.72 57.89 2bze n HIS 386 Cb 0.30 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.38 2bze n HIS 386 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2bze n ASN 387 N -0.01 2.77 0.02 0.41 3.02 -1.23 -5.03 115.26 115.21 2bze n ASN 387 Ca 0.00 -2.51 -0.03 0.00 -0.03 0.00 0.00 54.58 52.01 2bze n ASN 387 Cb 0.23 0.17 0.22 0.00 -0.61 0.00 0.00 39.78 39.79 2bze n ASN 387 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2bze h SER 388 N 0.75 0.47 -3.46 6.41 0.02 -1.99 -3.35 113.55 112.41 2bze h SER 388 Ca -0.28 -0.15 -0.70 0.00 -0.84 0.00 0.00 61.79 59.81 2bze h SER 388 Cb 0.91 -0.13 -0.19 0.00 0.14 0.00 0.00 62.40 63.13 2bze h SER 388 CO 0.47 0.70 -0.21 -0.54 -1.14 0.00 0.00 176.83 176.10 2bze s LYS 389 N -4.56 3.07 -0.73 3.45 3.01 -1.26 -5.01 119.74 117.71 2bze s LYS 389 Ca -0.07 -0.89 -0.26 0.00 -1.01 0.00 0.00 55.97 53.74 2bze s LYS 389 Cb 0.14 -4.01 -0.01 0.00 -1.01 0.00 0.00 37.83 32.94 2bze s LYS 389 CO 0.79 -0.92 1.69 -2.14 0.51 0.00 0.00 175.35 175.28 2bze s PRO 390 N 2.08 2.84 -0.84 -1.68 0.02 -1.26 -4.75 135.00 131.41 2bze s PRO 390 Ca 0.11 0.10 -0.25 0.00 0.02 0.00 0.00 61.00 60.97 2bze s PRO 390 Cb -0.19 -4.53 0.03 0.00 0.02 0.00 0.00 34.50 29.83 2bze s PRO 390 CO 0.12 -2.65 1.45 0.08 -0.33 0.00 0.00 177.00 175.68 2bze s VAL 391 N 8.06 3.74 0.10 3.83 1.01 -1.26 -4.97 120.40 130.90 2bze s VAL 391 Ca 0.58 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2bze s VAL 391 Cb -0.09 -4.80 -0.04 0.00 0.00 0.00 0.00 36.38 31.45 2bze s VAL 391 CO 0.13 -1.72 0.09 -0.31 0.00 0.00 0.00 175.10 173.29 2bze s TYR 392 N 6.14 3.18 0.20 5.22 2.02 -1.26 -0.23 117.35 132.61 2bze s TYR 392 Ca 0.45 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 2bze s TYR 392 Cb -0.05 -1.60 -0.04 0.00 -0.40 0.00 0.00 41.96 39.87 2bze s TYR 392 CO 0.05 0.52 0.08 1.03 -1.57 0.00 0.00 175.55 175.66 2bze s ARG 393 N -2.54 1.21 -0.07 -0.62 1.81 0.50 -4.93 118.95 114.31 2bze s ARG 393 Ca 0.30 -1.62 -0.14 0.00 -1.72 0.00 0.00 55.73 52.54 2bze s ARG 393 Cb -0.12 -0.00 -0.05 0.00 -0.45 0.00 0.00 34.95 34.33 2bze s ARG 393 CO 0.22 -0.29 0.37 0.08 -0.68 0.00 0.00 175.30 175.00 2bze s VAL 394 N -3.92 5.16 -0.03 3.52 1.01 -1.26 -2.55 120.40 122.34 2bze s VAL 394 Ca 0.33 0.73 0.00 0.00 0.00 0.00 0.00 61.98 63.05 2bze s VAL 394 Cb 0.07 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2bze s VAL 394 CO 0.09 0.50 0.01 0.00 0.00 0.00 0.00 175.10 175.70 2bze s ALA 395 N -0.47 0.26 0.09 5.51 0.00 -1.00 -4.54 121.76 121.61 2bze s ALA 395 Ca 0.22 0.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 2bze s ALA 395 Cb -0.15 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 2bze s ALA 395 CO 0.10 -0.08 0.92 -2.00 0.00 0.00 0.00 175.76 174.71 2bze s GLU 396 N 1.02 4.65 -0.28 0.00 2.12 0.36 -0.69 118.70 125.89 2bze s GLU 396 Ca -0.10 1.38 -0.28 0.00 0.36 0.00 0.00 54.97 56.33 2bze s GLU 396 Cb -0.13 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 30.89 2bze s GLU 396 CO -0.02 0.21 1.01 0.42 -0.54 0.00 0.00 175.26 176.34 2bze s ILE 397 N 0.04 4.64 -0.68 -3.70 1.01 0.83 -0.67 121.20 122.68 2bze s ILE 397 Ca 0.46 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.91 2bze s ILE 397 Cb -0.23 -4.32 0.17 0.00 0.01 0.00 0.00 42.46 38.09 2bze s ILE 397 CO 0.28 -0.30 0.47 0.42 0.00 0.00 0.00 174.94 175.82 2bze s THR 398 N 3.32 3.19 0.18 2.92 -4.23 0.89 -0.90 115.64 121.02 2bze s THR 398 Ca 0.42 -3.76 0.00 0.00 -1.18 0.00 0.00 61.69 57.18 2bze s THR 398 Cb -0.14 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.61 2bze s THR 398 CO 0.11 -0.94 0.00 0.61 -0.54 0.00 0.00 174.62 173.85 2bze n GLY 399 N 2.56 -1.97 3.07 3.99 0.00 -1.26 -2.48 105.19 109.10 2bze n GLY 399 Ca 0.14 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2bze n GLY 399 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bze s VAL 400 N -1.55 1.61 0.23 1.61 1.01 -1.26 -1.69 120.40 120.36 2bze s VAL 400 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.35 2bze s VAL 400 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 2bze s VAL 400 CO 0.00 0.46 0.15 0.68 0.00 0.00 0.00 175.10 176.40 2bze s VAL 401 N 1.08 4.32 0.30 2.92 -7.23 0.26 -4.93 120.40 117.12 2bze s VAL 401 Ca -0.04 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 2bze s VAL 401 Cb -0.14 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 2bze s VAL 401 CO -0.04 -0.30 0.52 -1.61 -0.31 0.00 0.00 175.10 173.37 2bze s GLU 402 N -3.64 3.55 0.32 4.82 8.01 -1.26 0.08 118.70 130.58 2bze s GLU 402 Ca 0.32 -0.20 0.05 0.00 0.01 0.00 0.00 54.97 55.15 2bze s GLU 402 Cb -0.08 -2.69 -0.06 0.00 -4.31 0.00 0.00 34.13 26.99 2bze s GLU 402 CO 0.24 0.22 0.01 0.95 0.01 0.00 0.00 175.26 176.69 2bze s THR 403 N -2.15 1.48 -1.54 3.63 -4.23 0.18 -4.76 115.64 108.25 2bze s THR 403 Ca 0.41 -2.04 0.19 0.00 -1.18 0.00 0.00 61.69 59.08 2bze s THR 403 Cb -0.10 -2.72 0.67 0.00 1.34 0.00 0.00 72.50 71.68 2bze s THR 403 CO 0.33 -0.10 1.56 0.00 -0.54 0.00 0.00 174.62 175.87 2bze n ALA 404 N -0.70 2.78 -3.59 3.99 0.00 -1.26 -4.71 120.51 117.02 2bze n ALA 404 Ca -0.04 -1.39 -0.25 0.00 0.00 0.00 0.00 53.44 51.76 2bze n ALA 404 Cb 0.66 -0.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.95 2bze n ALA 404 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bze s LYS 405 N -1.50 0.09 0.18 0.00 2.36 -1.26 -5.11 119.74 114.51 2bze s LYS 405 Ca 0.48 -0.08 -0.30 0.00 -2.55 0.00 0.00 55.97 53.52 2bze s LYS 405 Cb 0.29 -1.67 -0.09 0.00 -1.05 0.00 0.00 37.83 35.31 2bze s LYS 405 CO 0.27 -0.70 1.34 0.08 1.55 0.00 0.00 175.35 177.89 2bze s VAL 406 N 2.16 3.19 0.39 4.02 1.01 -1.26 -4.48 120.40 125.43 2bze s VAL 406 Ca 0.03 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.04 2bze s VAL 406 Cb -0.16 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2bze s VAL 406 CO -0.12 0.13 0.22 -0.72 0.00 0.00 0.00 175.10 174.60 2bze s TYR 407 N 0.32 2.66 -0.34 5.22 -0.85 -0.46 -4.88 117.35 119.01 2bze s TYR 407 Ca 0.59 -0.51 -0.15 0.00 -0.52 0.00 0.00 57.07 56.47 2bze s TYR 407 Cb -0.37 -1.93 -0.01 0.00 0.38 0.00 0.00 41.96 40.03 2bze s TYR 407 CO 0.37 0.15 0.35 -1.14 -1.52 0.00 0.00 175.55 173.76 2bze s GLN 408 N -3.95 3.56 0.27 -3.49 -0.44 -1.26 -3.73 119.66 110.62 2bze s GLN 408 Ca 0.42 -0.43 0.02 0.00 -2.50 0.00 0.00 55.36 52.88 2bze s GLN 408 Cb 0.01 -3.80 -0.05 0.00 -1.64 0.00 0.00 33.01 27.52 2bze s GLN 408 CO 0.24 -0.52 0.06 -1.17 0.50 0.00 0.00 175.29 174.40 2bze s LEU 409 N 2.00 1.91 0.00 3.68 2.96 -1.25 -4.94 118.68 123.04 2bze s LEU 409 Ca 0.11 -1.34 -0.35 0.00 -0.22 0.00 0.00 54.13 52.33 2bze s LEU 409 Cb -0.17 -0.15 -0.18 0.00 0.50 0.00 0.00 46.19 46.20 2bze s LEU 409 CO 0.12 -0.65 0.93 0.61 -1.32 0.00 0.00 176.35 176.04 2bze n GLY 410 N -0.51 -0.27 3.55 7.98 0.00 -1.26 -3.62 105.19 111.07 2bze n GLY 410 Ca -0.02 0.66 -0.17 0.00 0.00 0.00 0.00 46.02 46.50 2bze n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bze n GLY 411 N 1.33 -0.19 3.08 -0.02 0.00 -1.26 -4.82 105.19 103.32 2bze n GLY 411 Ca 0.18 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.40 2bze n GLY 411 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bze s THR 412 N 12.20 0.40 -0.27 2.61 -1.32 -1.24 -5.07 115.64 122.96 2bze s THR 412 Ca 1.00 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 60.07 2bze s THR 412 Cb -0.27 -1.02 0.07 0.00 -1.51 0.00 0.00 72.50 69.77 2bze s THR 412 CO 0.18 -0.68 -0.03 -0.13 -2.21 0.00 0.00 174.62 171.75 2bze s ARG 413 N -2.68 1.58 -0.02 7.08 3.00 -1.26 -3.89 118.95 122.75 2bze s ARG 413 Ca -0.02 -1.21 0.01 0.00 0.00 0.00 0.00 55.73 54.51 2bze s ARG 413 Cb -0.02 -2.68 0.01 0.00 0.00 0.00 0.00 34.95 32.27 2bze s ARG 413 CO -0.04 -0.70 -0.04 -0.08 0.00 0.00 0.00 175.30 174.45 2bze s THR 414 N 1.29 0.39 -0.85 0.02 -1.32 -1.24 -4.95 115.64 108.97 2bze s THR 414 Ca -0.02 -0.12 -0.01 0.00 -1.21 0.00 0.00 61.69 60.33 2bze s THR 414 Cb -0.19 -0.39 0.35 0.00 -1.51 0.00 0.00 72.50 70.76 2bze s THR 414 CO -0.08 0.15 1.93 -0.46 -2.21 0.00 0.00 174.62 173.95 2bze n ASN 415 N 3.55 7.30 -4.15 8.08 6.94 -1.26 -1.36 115.26 134.37 2bze n ASN 415 Ca -0.20 -3.81 -0.10 0.00 -0.02 0.00 0.00 54.58 50.46 2bze n ASN 415 Cb 0.54 -1.04 -0.10 0.00 -2.36 0.00 0.00 39.78 36.82 2bze n ASN 415 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2bze s LYS 416 N -4.08 0.80 0.18 -3.83 0.00 -1.26 0.49 119.74 112.03 2bze s LYS 416 Ca 0.50 -1.33 -0.04 0.00 0.00 0.00 0.00 55.97 55.10 2bze s LYS 416 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 2bze s LYS 416 CO -0.35 -0.07 0.18 0.20 0.00 0.00 0.00 175.35 175.31 2bze s GLY 417 N -3.02 0.98 0.21 0.59 0.00 0.11 -4.24 107.32 101.95 2bze s GLY 417 Ca 0.12 -1.35 0.07 0.00 0.00 0.00 0.00 44.72 43.56 2bze s GLY 417 CO -0.05 -1.17 0.13 1.08 0.00 0.00 0.00 173.10 173.08 2bze s LEU 418 N -3.07 3.68 -0.60 0.66 1.02 -0.07 0.91 118.68 121.22 2bze s LEU 418 Ca 0.28 -0.26 -0.20 0.00 0.02 0.00 0.00 54.13 53.97 2bze s LEU 418 Cb 0.05 -2.26 0.09 0.00 0.02 0.00 0.00 46.19 44.10 2bze s LEU 418 CO 0.06 0.03 0.77 -1.58 0.02 0.00 0.00 176.35 175.64 2bze s GLN 419 N -3.41 3.07 0.04 1.70 2.00 -0.68 -1.35 119.66 121.04 2bze s GLN 419 Ca 0.31 -1.15 -0.15 0.00 -2.00 0.00 0.00 55.36 52.38 2bze s GLN 419 Cb -0.09 -4.24 -0.06 0.00 0.80 0.00 0.00 33.01 29.42 2bze s GLN 419 CO 0.23 -1.58 0.46 -0.51 -0.50 0.00 0.00 175.29 173.39 2bze s LEU 420 N 3.04 4.45 -0.04 3.68 1.43 0.58 -0.08 118.68 131.74 2bze s LEU 420 Ca 0.15 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 2bze s LEU 420 Cb -0.22 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.22 2bze s LEU 420 CO 0.08 0.27 -0.11 -0.60 0.23 0.00 0.00 176.35 176.21 2bze s ARG 421 N -1.30 1.33 -0.47 1.70 3.52 0.16 -0.58 118.95 123.30 2bze s ARG 421 Ca 0.28 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2bze s ARG 421 Cb -0.17 -1.17 0.12 0.00 -1.56 0.00 0.00 34.95 32.17 2bze s ARG 421 CO 0.16 0.10 0.26 -1.01 -0.81 0.00 0.00 175.30 174.00 2bze s HIS 422 N 0.37 3.53 0.00 5.12 3.76 -0.34 -0.49 115.29 127.24 2bze s HIS 422 Ca -0.07 -2.57 0.00 0.00 -0.15 0.00 0.00 55.06 52.27 2bze s HIS 422 Cb -0.12 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.39 2bze s HIS 422 CO 0.02 -0.93 0.00 0.41 -0.85 0.00 0.00 174.74 173.39 2bze n GLY 423 N 4.21 3.76 3.04 -2.22 0.00 -1.26 -2.04 105.19 110.68 2bze n GLY 423 Ca 0.01 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2bze n GLY 423 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bze s ASN 424 N -4.00 5.50 -0.07 1.61 0.01 -1.25 -4.86 114.94 111.88 2bze s ASN 424 Ca 0.00 -3.59 -0.03 0.00 -0.71 0.00 0.00 52.86 48.53 2bze s ASN 424 Cb 0.00 -1.82 0.04 0.00 0.41 0.00 0.00 41.25 39.88 2bze s ASN 424 CO 0.00 -0.19 0.12 -0.62 -1.51 0.00 0.00 177.10 174.91 2bze s ASP 425 N -0.36 0.67 -0.18 -1.22 -1.08 -0.86 -4.93 116.67 108.70 2bze s ASP 425 Ca 0.25 0.25 0.01 0.00 -0.52 0.00 0.00 52.55 52.53 2bze s ASP 425 Cb -0.09 0.14 0.03 0.00 -1.46 0.00 0.00 42.92 41.53 2bze s ASP 425 CO -0.12 -0.22 -0.16 -1.58 0.52 0.00 0.00 175.17 173.61 2bze s GLN 426 N 2.01 2.56 0.29 4.34 0.74 -1.26 -1.20 119.66 127.13 2bze s GLN 426 Ca 0.01 -0.76 0.03 0.00 0.05 0.00 0.00 55.36 54.69 2bze s GLN 426 Cb -0.12 -2.39 -0.04 0.00 1.10 0.00 0.00 33.01 31.56 2bze s GLN 426 CO -0.05 -0.27 0.17 1.03 -0.55 0.00 0.00 175.29 175.62 2bze s ARG 427 N 1.37 1.55 -0.16 1.67 0.52 0.25 -5.00 118.95 119.15 2bze s ARG 427 Ca 0.03 -1.88 -0.02 0.00 -0.52 0.00 0.00 55.73 53.35 2bze s ARG 427 Cb -0.14 0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 2bze s ARG 427 CO -0.11 -0.47 -0.10 0.08 0.02 0.00 0.00 175.30 174.73 2bze s VAL 428 N -3.68 3.24 -0.07 3.52 1.01 -1.26 -0.31 120.40 122.85 2bze s VAL 428 Ca 0.37 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2bze s VAL 428 Cb 0.05 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 34.04 2bze s VAL 428 CO 0.18 0.50 -0.13 -0.36 0.00 0.00 0.00 175.10 175.29 2bze s PHE 429 N 0.63 1.51 0.56 5.22 0.40 -0.45 -4.91 117.98 120.94 2bze s PHE 429 Ca -0.06 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 55.63 2bze s PHE 429 Cb -0.15 -1.10 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2bze s PHE 429 CO 0.03 -0.28 0.93 1.03 0.70 0.00 0.00 175.22 177.62 2bze s ARG 430 N 0.63 3.58 0.62 0.44 3.00 -1.26 -0.89 118.95 125.08 2bze s ARG 430 Ca -0.15 0.52 0.38 0.00 0.00 0.00 0.00 55.73 56.49 2bze s ARG 430 Cb -0.16 -2.20 2.10 0.00 0.00 0.00 0.00 34.95 34.69 2bze s ARG 430 CO 0.04 -0.42 2.29 -0.07 0.00 0.00 0.00 175.30 177.14 2bze h LEU 431 N -0.09 0.00 -1.60 2.53 4.07 -1.96 -0.90 115.31 117.36 2bze h LEU 431 Ca -0.45 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.47 2bze h LEU 431 Cb 1.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.93 2bze h LEU 431 CO 0.62 0.01 -0.16 1.05 -1.08 0.00 0.00 178.44 178.88 2bze h GLU 432 N 0.00 0.00 -0.00 1.13 4.11 -1.92 -2.82 114.58 115.08 2bze h GLU 432 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bze h GLU 432 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2bze h GLU 432 CO 0.00 0.16 -0.80 1.19 0.07 0.00 0.00 179.01 179.63 2bze n PHE 433 N -3.52 0.00 -2.32 2.06 3.72 -0.34 -4.93 117.46 112.13 2bze n PHE 433 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 2bze n PHE 433 Cb 0.32 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 2bze n PHE 433 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2bze s VAL 434 N -2.84 3.60 0.36 -4.37 1.01 -1.07 -3.87 120.40 113.23 2bze s VAL 434 Ca 0.12 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.27 2bze s VAL 434 Cb 0.17 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2bze s VAL 434 CO 0.77 0.14 0.65 -0.44 0.00 0.00 0.00 175.10 176.22 2bze s SER 435 N 0.65 6.41 -0.24 3.32 0.01 0.10 -4.29 113.70 119.66 2bze s SER 435 Ca 0.58 0.82 0.13 0.00 1.31 0.00 0.00 55.95 58.78 2bze s SER 435 Cb -0.33 -2.19 0.54 0.00 0.21 0.00 0.00 66.02 64.25 2bze s SER 435 CO 0.33 -0.33 1.48 0.59 0.41 0.00 0.00 173.24 175.73 2bze n ASN 436 N -1.39 3.41 -4.94 2.44 3.02 -1.26 -3.64 115.26 112.90 2bze n ASN 436 Ca -0.01 -3.34 -0.24 0.00 -0.03 0.00 0.00 54.58 50.96 2bze n ASN 436 Cb 0.54 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2bze n ASN 436 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bze s GLN 437 N -3.02 3.29 0.45 3.52 1.11 -1.26 -4.99 119.66 118.76 2bze s GLN 437 Ca 0.45 -0.33 -0.01 0.00 0.01 0.00 0.00 55.36 55.48 2bze s GLN 437 Cb 0.38 -2.57 -0.01 0.00 -1.01 0.00 0.00 33.01 29.79 2bze s GLN 437 CO 0.06 -0.10 0.68 -1.83 0.01 0.00 0.00 175.29 174.11 2bze s GLU 438 N -4.49 3.17 0.25 2.91 -1.05 -1.26 -4.80 118.70 113.44 2bze s GLU 438 Ca 0.45 -0.35 -0.10 0.00 -0.15 0.00 0.00 54.97 54.82 2bze s GLU 438 Cb -0.10 -2.53 -0.07 0.00 -0.44 0.00 0.00 34.13 30.99 2bze s GLU 438 CO 0.38 -0.23 0.58 -0.06 0.95 0.00 0.00 175.26 176.88 2bze s PHE 439 N -2.57 3.43 0.53 4.83 0.40 -1.26 -5.09 117.98 118.24 2bze s PHE 439 Ca 0.47 0.89 0.01 0.00 -0.60 0.00 0.00 56.93 57.70 2bze s PHE 439 Cb -0.10 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.15 2bze s PHE 439 CO 0.39 0.23 0.03 0.95 0.70 0.00 0.00 175.22 177.52 2bze s THR 440 N -1.88 1.09 0.24 0.64 -4.23 -1.26 -4.91 115.64 105.33 2bze s THR 440 Ca 0.48 -1.96 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 2bze s THR 440 Cb -0.11 -2.05 0.11 0.00 1.34 0.00 0.00 72.50 71.79 2bze s THR 440 CO 0.22 0.00 1.74 1.05 -0.54 0.00 0.00 174.62 177.09 2bze h GLU 441 N 1.25 0.90 -0.53 3.99 4.11 -1.98 0.14 114.58 122.46 2bze h GLU 441 Ca -0.43 -0.24 -0.09 0.00 0.07 0.00 0.00 59.36 58.67 2bze h GLU 441 Cb 1.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2bze h GLU 441 CO 0.72 0.87 -0.03 1.03 0.07 0.00 0.00 179.01 181.67 2bze h SER 442 N 0.85 0.94 -0.55 3.06 0.87 -1.98 0.46 113.55 117.19 2bze h SER 442 Ca 0.17 -0.32 -0.08 0.00 -1.23 0.00 0.00 61.79 60.32 2bze h SER 442 Cb 0.43 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2bze h SER 442 CO 0.02 1.04 0.01 -0.33 -0.53 0.00 0.00 176.83 177.03 2bze h GLU 443 N 0.83 0.97 -0.64 2.24 4.39 -1.88 -1.20 114.58 119.29 2bze h GLU 443 Ca 0.15 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2bze h GLU 443 Cb 0.57 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2bze h GLU 443 CO 0.03 0.97 0.41 0.35 -1.16 0.00 0.00 179.01 179.61 2bze h PHE 444 N 0.85 0.78 0.00 4.33 3.04 -0.38 -2.14 116.94 123.43 2bze h PHE 444 Ca 0.16 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 2bze h PHE 444 Cb 0.52 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 2bze h PHE 444 CO 0.04 0.48 -0.22 0.52 -2.02 0.00 0.00 178.31 177.11 2bze h MET 445 N 0.84 0.00 -0.48 1.11 2.86 -0.44 0.21 114.93 119.03 2bze h MET 445 Ca 0.24 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 2bze h MET 445 Cb -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2bze h MET 445 CO -0.07 0.22 -0.11 0.87 1.06 0.00 0.00 176.91 178.89 2bze h LYS 446 N 0.00 0.87 -0.02 1.72 1.57 -0.59 0.98 116.57 121.10 2bze h LYS 446 Ca -0.00 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 2bze h LYS 446 Cb 0.42 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.66 2bze h LYS 446 CO 0.03 0.94 -0.36 2.35 -0.57 0.00 0.00 179.45 181.83 2bze h TRP 447 N 0.79 0.41 -0.63 -1.35 7.01 -0.92 -2.20 115.95 119.04 2bze h TRP 447 Ca 0.13 -0.21 0.13 0.00 2.11 0.00 0.00 58.89 61.05 2bze h TRP 447 Cb 0.62 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 27.53 2bze h TRP 447 CO 0.04 0.99 0.10 -0.22 -2.79 0.00 0.00 178.44 176.55 2bze h LYS 448 N -0.29 0.21 0.00 2.65 1.63 -0.54 0.24 116.57 120.48 2bze h LYS 448 Ca -0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2bze h LYS 448 Cb 1.07 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2bze h LYS 448 CO 0.07 0.14 -0.06 1.05 -3.45 0.00 0.00 179.45 177.20 2bze h GLU 449 N 0.21 0.00 0.18 1.90 4.11 -0.78 0.21 114.58 120.42 2bze h GLU 449 Ca 0.34 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.52 2bze h GLU 449 Cb 0.54 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.82 2bze h GLU 449 CO -0.47 0.06 -1.08 0.00 0.07 0.00 0.00 179.01 177.59 2bze h ALA 450 N 1.94 -0.11 -0.60 1.06 0.00 -0.29 -0.74 119.26 120.53 2bze h ALA 450 Ca -0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 2bze h ALA 450 Cb 0.54 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2bze h ALA 450 CO 0.01 0.51 -0.01 0.52 0.00 0.00 0.00 179.25 180.28 2bze h MET 451 N -0.13 1.06 -0.57 0.00 2.86 -0.30 -0.58 114.93 117.27 2bze h MET 451 Ca -0.19 -0.34 -0.11 0.00 -2.06 0.00 0.00 59.70 57.00 2bze h MET 451 Cb 1.85 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 33.39 2bze h MET 451 CO 0.20 1.04 -0.06 0.35 1.06 0.00 0.00 176.91 179.50 2bze h PHE 452 N 0.96 1.16 -0.29 -0.22 3.57 -0.66 0.33 116.94 121.79 2bze h PHE 452 Ca 0.17 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 2bze h PHE 452 Cb 0.57 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 2bze h PHE 452 CO 0.04 1.05 0.03 1.03 -2.23 0.00 0.00 178.31 178.24 2bze h SER 453 N 0.94 0.39 1.50 0.41 0.87 -0.77 -1.34 113.55 115.55 2bze h SER 453 Ca 0.15 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2bze h SER 453 Cb 0.63 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2bze h SER 453 CO 0.04 0.43 -0.41 0.00 -0.53 0.00 0.00 176.83 176.37 2bze h ALA 454 N 1.63 0.76 0.00 6.23 0.00 -0.48 -3.47 119.26 123.93 2bze h ALA 454 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bze h ALA 454 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bze h ALA 454 CO 0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2bze n GLY 455 N 1.08 0.51 3.92 0.00 0.00 0.20 -4.91 105.19 106.00 2bze n GLY 455 Ca 0.02 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 2bze n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bze s MET 456 N -1.38 3.52 0.20 1.61 -1.94 0.92 -4.98 119.30 117.25 2bze s MET 456 Ca 0.00 -0.07 -0.09 0.00 -1.71 0.00 0.00 55.69 53.82 2bze s MET 456 Cb 0.00 -2.52 -0.07 0.00 2.01 0.00 0.00 34.83 34.25 2bze s MET 456 CO 0.00 -0.02 0.52 -1.14 -0.01 0.00 0.00 175.02 174.36 2bze s GLN 457 N -4.51 3.79 0.52 2.03 0.74 -1.26 -4.39 119.66 116.58 2bze s GLN 457 Ca 0.44 0.23 -0.02 0.00 0.05 0.00 0.00 55.36 56.05 2bze s GLN 457 Cb -0.10 -2.72 0.01 0.00 1.10 0.00 0.00 33.01 31.30 2bze s GLN 457 CO 0.40 0.36 0.78 -0.51 -0.55 0.00 0.00 175.29 175.78 2bze s LEU 458 N -2.68 3.43 0.77 3.68 1.02 -1.26 -5.07 118.68 118.56 2bze s LEU 458 Ca 0.45 0.45 -0.12 0.00 0.02 0.00 0.00 54.13 54.94 2bze s LEU 458 Cb -0.12 -3.30 0.05 0.00 0.02 0.00 0.00 46.19 42.84 2bze s LEU 458 CO 0.21 -0.91 1.10 -2.16 0.02 0.00 0.00 176.35 174.62 2bze s PRO 459 N -4.77 2.35 0.42 1.29 0.04 -1.26 -4.77 135.00 128.31 2bze s PRO 459 Ca 0.52 0.52 0.01 0.00 0.04 0.00 0.00 61.00 62.08 2bze s PRO 459 Cb -0.10 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2bze s PRO 459 CO 0.41 -1.41 0.64 0.95 0.04 0.00 0.00 177.00 177.63 2bze s THR 460 N -3.27 4.24 -0.28 1.26 -4.23 -1.26 -0.04 115.64 112.06 2bze s THR 460 Ca 0.60 -0.50 0.28 0.00 -1.18 0.00 0.00 61.69 60.88 2bze s THR 460 Cb -0.13 -3.56 0.31 0.00 1.34 0.00 0.00 72.50 70.47 2bze s THR 460 CO 0.53 -0.38 1.82 -0.07 -0.54 0.00 0.00 174.62 175.98 2bze h LEU 461 N 0.49 0.00 -0.67 4.79 -0.00 -1.75 -1.81 115.31 116.36 2bze h LEU 461 Ca -0.47 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.38 2bze h LEU 461 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 2bze h LEU 461 CO 0.58 0.00 0.30 -0.78 -0.00 0.00 0.00 178.44 178.54 2bze h ASP 462 N 0.00 0.90 0.12 -0.43 1.82 -1.79 -0.05 116.42 116.99 2bze h ASP 462 Ca 0.00 -0.15 -0.27 0.00 -0.39 0.00 0.00 57.03 56.22 2bze h ASP 462 Cb 0.49 -0.23 0.02 0.00 0.68 0.00 0.00 39.33 40.28 2bze h ASP 462 CO 0.00 0.80 -1.10 -0.33 -1.61 0.00 0.00 179.24 177.00 2bze h GLU 463 N 0.94 0.62 -0.73 0.28 4.39 -1.74 -3.09 114.58 115.25 2bze h GLU 463 Ca 0.23 -0.72 0.04 0.00 0.34 0.00 0.00 59.36 59.24 2bze h GLU 463 Cb 0.16 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 2bze h GLU 463 CO -0.02 1.31 0.45 0.82 -1.16 0.00 0.00 179.01 180.40 2bze h ILE 464 N 0.32 1.07 -0.73 3.13 1.08 -1.12 -0.61 117.51 120.66 2bze h ILE 464 Ca -0.14 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2bze h ILE 464 Cb 1.76 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2bze h ILE 464 CO 0.21 0.16 0.47 -1.13 -0.69 0.00 0.00 178.15 177.16 2bze h ASN 465 N 0.86 0.85 -0.68 1.72 -0.00 -1.00 0.15 115.58 117.47 2bze h ASN 465 Ca 0.30 -0.04 -0.08 0.00 -0.00 0.00 0.00 56.30 56.49 2bze h ASN 465 Cb 0.07 -0.21 -0.03 0.00 -0.00 0.00 0.00 38.32 38.15 2bze h ASN 465 CO -0.13 0.63 0.12 0.11 -0.00 0.00 0.00 177.43 178.16 2bze h LYS 466 N 0.99 1.12 0.27 6.67 1.57 -1.30 0.16 116.57 126.06 2bze h LYS 466 Ca 0.26 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2bze h LYS 466 Cb -0.09 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.09 2bze h LYS 466 CO -0.05 1.02 -0.13 0.87 -0.57 0.00 0.00 179.45 180.58 2bze h LYS 467 N 1.05 -0.35 -0.31 3.15 1.79 -0.46 -0.87 116.57 120.57 2bze h LYS 467 Ca 0.21 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.71 2bze h LYS 467 Cb 0.43 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2bze h LYS 467 CO 0.01 -0.05 0.20 1.05 -1.08 0.00 0.00 179.45 179.58 2bze h GLU 468 N -0.67 0.41 -0.18 3.15 4.11 -0.65 0.46 114.58 121.22 2bze h GLU 468 Ca -0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2bze h GLU 468 Cb 0.47 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2bze h GLU 468 CO 0.06 0.27 0.10 1.25 0.07 0.00 0.00 179.01 180.76 2bze h LEU 469 N 0.42 0.22 -1.01 3.06 7.12 -0.82 0.09 115.31 124.39 2bze h LEU 469 Ca 0.11 -0.08 -0.09 0.00 0.13 0.00 0.00 57.88 57.96 2bze h LEU 469 Cb -0.05 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 2bze h LEU 469 CO -0.02 0.23 -0.23 0.28 -0.13 0.00 0.00 178.44 178.57 2bze h SER 470 N 0.19 0.44 0.16 1.25 0.02 0.42 -1.04 113.55 114.99 2bze h SER 470 Ca 0.06 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2bze h SER 470 Cb 0.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2bze h SER 470 CO -0.01 0.67 -0.08 0.40 -1.14 0.00 0.00 176.83 176.68 2bze h ILE 471 N 0.40 0.95 -0.19 3.27 1.08 -0.63 -1.72 117.51 120.67 2bze h ILE 471 Ca 0.06 -0.58 -0.08 0.00 -0.39 0.00 0.00 64.86 63.87 2bze h ILE 471 Cb 0.62 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 2bze h ILE 471 CO 0.04 0.14 -0.23 0.07 -0.69 0.00 0.00 178.15 177.48 2bze h LYS 472 N -0.50 0.35 -0.06 2.37 2.10 -0.75 -2.05 116.57 118.02 2bze h LYS 472 Ca -0.02 -0.12 -0.18 0.00 -2.00 0.00 0.00 60.65 58.34 2bze h LYS 472 Cb 0.39 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.68 2bze h LYS 472 CO 0.04 0.56 -0.72 0.93 -2.00 0.00 0.00 179.45 178.26 2bze h GLU 473 N 0.31 0.31 -0.39 0.07 4.39 -1.15 -1.34 114.58 116.79 2bze h GLU 473 Ca 0.05 -0.26 -0.16 0.00 0.34 0.00 0.00 59.36 59.33 2bze h GLU 473 Cb 0.58 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2bze h GLU 473 CO 0.04 0.91 -0.38 0.00 -1.16 0.00 0.00 179.01 178.41 2bze h ALA 474 N 1.02 0.58 0.00 3.43 0.00 -0.95 -3.14 119.26 120.19 2bze h ALA 474 Ca -0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2bze h ALA 474 Cb 1.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2bze h ALA 474 CO 0.12 0.68 -0.37 1.37 0.00 0.00 0.00 179.25 181.04 2bze h LEU 475 N 0.77 0.00 -1.00 0.00 8.10 -1.38 -3.52 115.31 118.29 2bze h LEU 475 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.05 2bze h LEU 475 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.20 2bze h LEU 475 CO 0.10 0.23 0.00 -3.20 -4.11 0.00 0.00 178.44 171.46