#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuu s ILE 13 N 0.00 3.72 0.49 3.57 1.01 -1.26 -5.12 121.20 123.61 2uuu s ILE 13 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 60.65 60.01 2uuu s ILE 13 Cb 0.00 -2.57 -0.08 0.00 0.01 0.00 0.00 42.46 39.81 2uuu s ILE 13 CO 0.00 0.55 1.01 -1.81 0.00 0.00 0.00 174.94 174.68 2uuu s ASP 14 N -0.20 6.49 0.43 3.58 1.01 -1.26 -4.97 116.67 121.75 2uuu s ASP 14 Ca 0.03 1.79 0.12 0.00 0.71 0.00 0.00 52.55 55.19 2uuu s ASP 14 Cb -0.13 -2.54 0.94 0.00 1.01 0.00 0.00 42.92 42.20 2uuu s ASP 14 CO 0.03 -0.68 2.00 -0.07 0.21 0.00 0.00 175.17 176.66 2uuu h LEU 15 N 1.41 0.17 -2.56 1.23 3.38 -1.98 -1.49 115.31 115.46 2uuu h LEU 15 Ca -0.49 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2uuu h LEU 15 Cb 1.20 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2uuu h LEU 15 CO 0.60 0.26 -0.01 0.10 0.09 0.00 0.00 178.44 179.47 2uuu h TYR 16 N 0.18 0.00 0.00 1.13 -0.00 -1.93 -0.07 116.97 116.28 2uuu h TYR 16 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.77 2uuu h TYR 16 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.95 2uuu h TYR 16 CO 0.00 0.01 -0.67 1.96 -0.00 0.00 0.00 178.16 179.47 2uuu h GLN 17 N 0.00 0.00 0.00 0.10 4.20 -1.66 -3.36 115.11 114.39 2uuu h GLN 17 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2uuu h GLN 17 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2uuu h GLN 17 CO 0.00 0.00 -1.20 1.04 -0.67 0.00 0.00 178.83 178.00 2uuu n GLN 18 N -2.17 0.30 -4.80 1.46 6.02 -0.11 -4.91 117.38 113.17 2uuu n GLN 18 Ca 0.03 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.65 2uuu n GLN 18 Cb 0.45 -1.56 -0.13 0.00 1.02 0.00 0.00 30.24 30.02 2uuu n GLN 18 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2uuu s ILE 19 N -3.22 3.17 0.24 5.09 1.01 -0.80 -2.22 121.20 124.47 2uuu s ILE 19 Ca 0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 2uuu s ILE 19 Cb 0.15 -2.28 -0.13 0.00 0.01 0.00 0.00 42.46 40.20 2uuu s ILE 19 CO 0.84 0.57 1.44 0.29 0.00 0.00 0.00 174.94 178.07 2uuu n LYS 20 N 2.73 2.10 0.00 2.79 5.02 -0.12 -4.84 118.16 125.83 2uuu n LYS 20 Ca -0.18 0.75 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 2uuu n LYS 20 Cb 0.52 -2.43 0.56 0.00 -0.02 0.00 0.00 35.03 33.67 2uuu n LYS 20 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2uuu n TRP 21 N 2.07 0.00 -2.23 2.13 4.27 -1.26 -3.78 117.44 118.64 2uuu n TRP 21 Ca 0.12 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.76 2uuu n TRP 21 Cb 0.32 -0.38 0.03 0.00 -1.36 0.00 0.00 31.31 29.92 2uuu n TRP 21 CO 0.00 0.00 0.00 0.27 -2.29 0.00 0.00 177.69 175.67 2uuu n ASN 22 N -1.40 0.81 0.00 -0.67 0.23 -1.26 -4.85 115.26 108.12 2uuu n ASN 22 Ca 0.08 -2.19 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 2uuu n ASN 22 Cb 0.32 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2uuu n ASN 22 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uuu n GLY 23 N 0.15 3.06 3.71 4.83 0.00 -1.25 -4.88 105.19 110.83 2uuu n GLY 23 Ca 0.06 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2uuu n GLY 23 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2uuu s TRP 24 N -2.02 3.28 0.00 1.61 -0.11 -1.26 -4.58 118.94 115.86 2uuu s TRP 24 Ca 0.00 0.23 0.00 0.00 1.22 0.00 0.00 56.10 57.55 2uuu s TRP 24 Cb 0.00 -1.89 0.00 0.00 -1.50 0.00 0.00 33.47 30.08 2uuu s TRP 24 CO 0.00 0.45 0.00 0.41 -4.62 0.00 0.00 176.95 173.19 2uuu n GLY 25 N 2.44 -0.58 3.72 5.86 0.00 -1.26 -4.62 105.19 110.74 2uuu n GLY 25 Ca -0.18 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2uuu n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2uuu s ASP 26 N -4.00 6.66 0.59 1.61 -1.08 -1.26 -0.95 116.67 118.24 2uuu s ASP 26 Ca 0.00 2.53 0.30 0.00 -0.52 0.00 0.00 52.55 54.87 2uuu s ASP 26 Cb 0.00 -2.59 1.83 0.00 -1.46 0.00 0.00 42.92 40.70 2uuu s ASP 26 CO 0.00 -0.77 2.25 0.71 0.52 0.00 0.00 175.17 177.88 2uuu h THR 27 N 4.07 0.51 -0.01 1.71 1.35 -1.76 -2.41 112.91 116.36 2uuu h THR 27 Ca -0.43 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2uuu h THR 27 Cb 1.21 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2uuu h THR 27 CO 0.90 0.01 -0.02 0.54 -0.25 0.00 0.00 175.52 176.69 2uuu n ARG 28 N -3.80 1.46 -4.97 4.72 1.74 -1.26 -4.85 116.66 109.70 2uuu n ARG 28 Ca -0.03 -0.74 -0.28 0.00 -0.77 0.00 0.00 57.85 56.02 2uuu n ARG 28 Cb 0.09 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.88 2uuu n ARG 28 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2uuu s LYS 29 N -2.05 2.27 -0.21 5.56 2.20 -0.91 -3.40 119.74 123.20 2uuu s LYS 29 Ca 0.38 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2uuu s LYS 29 Cb 0.21 -1.85 0.15 0.00 -1.51 0.00 0.00 37.83 34.84 2uuu s LYS 29 CO 0.36 0.20 1.17 -0.59 -0.36 0.00 0.00 175.35 176.13 2uuu s PHE 30 N 0.22 -0.21 0.48 4.03 -0.71 -0.66 -4.70 117.98 116.43 2uuu s PHE 30 Ca -0.11 0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 55.99 2uuu s PHE 30 Cb -0.15 0.48 -0.07 0.00 -1.21 0.00 0.00 43.02 42.07 2uuu s PHE 30 CO 0.05 -0.21 0.89 -0.51 -1.34 0.00 0.00 175.22 174.11 2uuu s LEU 31 N -1.21 3.67 0.06 -1.99 1.43 -1.26 -1.25 118.68 118.14 2uuu s LEU 31 Ca 0.04 1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 54.23 2uuu s LEU 31 Cb -0.01 -4.28 0.09 0.00 0.03 0.00 0.00 46.19 42.02 2uuu s LEU 31 CO -0.03 -0.54 0.74 -1.38 0.23 0.00 0.00 176.35 175.37 2uuu s HIS 32 N -2.58 -0.46 -0.31 0.29 -3.43 -0.08 -4.90 115.29 103.82 2uuu s HIS 32 Ca 0.55 0.34 -0.16 0.00 -0.80 0.00 0.00 55.06 54.99 2uuu s HIS 32 Cb -0.10 0.54 -0.02 0.00 -1.43 0.00 0.00 32.58 31.57 2uuu s HIS 32 CO 0.34 -0.68 0.39 -1.14 -2.00 0.00 0.00 174.74 171.65 2uuu s GLN 33 N -3.22 3.75 0.03 -0.38 0.74 -1.26 -0.25 119.66 119.07 2uuu s GLN 33 Ca 0.02 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.94 2uuu s GLN 33 Cb -0.01 -3.75 -0.05 0.00 1.10 0.00 0.00 33.01 30.31 2uuu s GLN 33 CO -0.09 -0.45 1.14 -0.51 -0.55 0.00 0.00 175.29 174.82 2uuu s LEU 34 N 2.11 4.36 0.07 3.68 1.43 0.67 -4.95 118.68 126.05 2uuu s LEU 34 Ca 0.14 1.89 0.06 0.00 -1.03 0.00 0.00 54.13 55.18 2uuu s LEU 34 Cb -0.16 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2uuu s LEU 34 CO 0.11 -0.42 -0.07 -0.54 0.23 0.00 0.00 176.35 175.66 2uuu s LYS 35 N 1.19 2.34 0.00 1.70 1.02 -1.26 -0.92 119.74 123.81 2uuu s LYS 35 Ca 0.56 -0.90 0.26 0.00 0.02 0.00 0.00 55.97 55.91 2uuu s LYS 35 Cb -0.26 -2.41 0.90 0.00 -0.52 0.00 0.00 37.83 35.54 2uuu s LYS 35 CO 0.28 0.54 1.66 -0.35 -0.92 0.00 0.00 175.35 176.55 2uuu n PRO 36 N 0.90 1.75 0.22 -1.68 -0.04 -1.26 -4.89 135.00 130.00 2uuu n PRO 36 Ca -0.13 -1.09 0.06 0.00 -0.04 0.00 0.00 63.50 62.29 2uuu n PRO 36 Cb 0.52 -1.46 0.50 0.00 -0.04 0.00 0.00 33.50 33.02 2uuu n PRO 36 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2uuu h SER 37 N 2.53 0.00 0.00 3.54 4.64 -2.00 -3.46 113.55 118.80 2uuu h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uuu h SER 37 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2uuu h SER 37 CO 0.00 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 2uuu n GLY 38 N -0.73 0.73 3.72 -0.77 0.00 -0.10 -5.01 105.19 103.03 2uuu n GLY 38 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2uuu n GLY 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uuu s THR 39 N -2.55 3.54 -0.02 2.61 2.01 -1.15 -4.68 115.64 115.41 2uuu s THR 39 Ca 0.00 1.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.88 2uuu s THR 39 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 2uuu s THR 39 CO 0.00 0.11 0.78 -0.63 -0.69 0.00 0.00 174.62 174.18 2uuu s ILE 40 N 0.87 4.91 0.25 1.82 1.01 -1.26 -0.24 121.20 128.56 2uuu s ILE 40 Ca 0.61 1.63 0.09 0.00 0.00 0.00 0.00 60.65 62.98 2uuu s ILE 40 Cb -0.34 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2uuu s ILE 40 CO 0.31 0.27 -0.15 0.00 0.00 0.00 0.00 174.94 175.38 2uuu s ALA 41 N 0.55 2.36 -0.16 9.38 0.00 0.65 -0.11 121.76 134.43 2uuu s ALA 41 Ca 0.41 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 2uuu s ALA 41 Cb -0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 2uuu s ALA 41 CO 0.22 0.12 -0.13 1.41 0.00 0.00 0.00 175.76 177.38 2uuu s MET 42 N -3.61 3.28 -0.12 0.00 1.75 -0.25 -0.90 119.30 119.45 2uuu s MET 42 Ca 0.26 -0.71 -0.02 0.00 -1.25 0.00 0.00 55.69 53.97 2uuu s MET 42 Cb -0.01 -2.69 -0.03 0.00 2.84 0.00 0.00 34.83 34.94 2uuu s MET 42 CO 0.11 0.02 -0.03 0.99 -0.65 0.00 0.00 175.02 175.46 2uuu s THR 43 N 0.82 3.99 0.22 10.11 2.01 -0.38 -1.17 115.64 131.25 2uuu s THR 43 Ca -0.04 -0.35 0.08 0.00 0.31 0.00 0.00 61.69 61.69 2uuu s THR 43 Cb -0.15 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 2uuu s THR 43 CO 0.00 0.55 -0.15 0.42 -0.69 0.00 0.00 174.62 174.75 2uuu s THR 44 N -0.27 1.87 0.43 -0.82 -4.23 0.28 -1.66 115.64 111.24 2uuu s THR 44 Ca 0.05 -2.24 0.21 0.00 -1.18 0.00 0.00 61.69 58.52 2uuu s THR 44 Cb -0.13 -2.10 0.41 0.00 1.34 0.00 0.00 72.50 72.02 2uuu s THR 44 CO 0.02 -0.55 1.82 1.55 -0.54 0.00 0.00 174.62 176.92 2uuu h PRO 45 N 2.50 0.32 0.00 3.99 0.13 -1.99 -2.55 132.00 134.40 2uuu h PRO 45 Ca -0.38 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2uuu h PRO 45 Cb 1.23 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2uuu h PRO 45 CO 0.62 0.21 -0.88 1.05 -0.23 0.00 0.00 178.00 178.77 2uuu h GLU 46 N 0.33 0.00 -3.07 0.86 9.09 -1.96 -3.46 114.58 116.37 2uuu h GLU 46 Ca 0.52 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.74 2uuu h GLU 46 Cb 1.44 0.00 -0.28 0.00 -1.65 0.00 0.00 28.75 28.25 2uuu h GLU 46 CO -0.19 0.23 -0.47 0.08 0.05 0.00 0.00 179.01 178.71 2uuu s VAL 47 N -3.08 -0.03 -0.22 -1.06 1.01 -0.96 -5.16 120.40 110.89 2uuu s VAL 47 Ca 0.01 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2uuu s VAL 47 Cb 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 2uuu s VAL 47 CO 0.77 0.04 0.15 -0.55 0.00 0.00 0.00 175.10 175.51 2uuu s SER 48 N 0.90 6.15 -1.04 3.32 0.15 -1.26 -0.56 113.70 121.37 2uuu s SER 48 Ca -0.06 0.16 -0.00 0.00 0.70 0.00 0.00 55.95 56.74 2uuu s SER 48 Cb -0.08 -2.10 -0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2uuu s SER 48 CO -0.06 0.11 0.87 -1.20 1.20 0.00 0.00 173.24 174.16 2uuu n SER 49 N 3.99 -2.19 -4.64 5.45 7.64 -1.19 -4.98 113.62 117.71 2uuu n SER 49 Ca -0.15 -0.54 -0.43 0.00 1.01 0.00 0.00 58.87 58.76 2uuu n SER 49 Cb 0.52 -4.52 -0.02 0.00 -1.01 0.00 0.00 64.21 59.17 2uuu n SER 49 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2uuu s VAL 50 N -3.31 4.09 0.24 0.44 1.01 -0.31 -4.78 120.40 117.77 2uuu s VAL 50 Ca 0.01 1.25 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 2uuu s VAL 50 Cb -0.00 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 2uuu s VAL 50 CO 0.63 -0.36 1.46 -2.16 0.00 0.00 0.00 175.10 174.68 2uuu s PRO 51 N 4.10 4.25 -0.69 2.72 0.04 -1.26 -1.09 135.00 143.07 2uuu s PRO 51 Ca 0.59 2.32 -0.00 0.00 0.04 0.00 0.00 61.00 63.94 2uuu s PRO 51 Cb -0.19 -3.11 0.17 0.00 0.04 0.00 0.00 34.50 31.40 2uuu s PRO 51 CO 0.22 -0.46 0.50 -0.51 0.04 0.00 0.00 177.00 176.80 2uuu s LEU 52 N -0.14 5.09 0.44 -3.56 1.43 0.84 -4.52 118.68 118.26 2uuu s LEU 52 Ca 0.61 -3.26 0.24 0.00 -1.03 0.00 0.00 54.13 50.70 2uuu s LEU 52 Cb -0.42 -1.80 0.77 0.00 0.03 0.00 0.00 46.19 44.77 2uuu s LEU 52 CO 0.42 -0.25 1.76 1.55 0.23 0.00 0.00 176.35 180.05 2uuu h PRO 53 N 6.43 0.00 0.00 1.29 0.13 -1.78 -2.65 132.00 135.41 2uuu h PRO 53 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2uuu h PRO 53 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2uuu h PRO 53 CO 0.74 0.18 -0.39 0.77 -0.23 0.00 0.00 178.00 179.07 2uuu h SER 54 N 0.00 0.00 -0.22 1.44 0.02 -1.82 -3.39 113.55 109.58 2uuu h SER 54 Ca -0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2uuu h SER 54 Cb 0.85 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 2uuu h SER 54 CO 0.02 0.01 -0.13 0.25 -1.14 0.00 0.00 176.83 175.84 2uuu h LEU 55 N 0.00 0.49 -0.48 5.07 5.85 -1.56 -1.87 115.31 122.81 2uuu h LEU 55 Ca 0.00 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2uuu h LEU 55 Cb 0.96 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 2uuu h LEU 55 CO 0.00 0.81 0.26 -0.09 -0.34 0.00 0.00 178.44 179.08 2uuu h ARG 56 N 0.18 0.51 -0.86 1.25 2.43 -1.75 0.09 114.38 116.22 2uuu h ARG 56 Ca 0.05 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2uuu h ARG 56 Cb 0.63 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2uuu h ARG 56 CO 0.04 0.34 0.55 0.78 -1.51 0.00 0.00 179.97 180.16 2uuu h GLY 57 N 0.52 1.25 0.95 2.80 0.00 -1.74 0.14 103.07 106.99 2uuu h GLY 57 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2uuu h GLY 57 CO -0.12 0.34 -0.11 -2.75 0.00 0.00 0.00 176.54 173.90 2uuu h PHE 58 N 1.06 -0.29 -0.49 5.60 3.04 -0.88 -0.83 116.94 124.14 2uuu h PHE 58 Ca 0.35 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.27 2uuu h PHE 58 Cb 0.03 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 2uuu h PHE 58 CO -0.02 -0.13 0.24 0.82 -2.02 0.00 0.00 178.31 177.19 2uuu h ILE 59 N -0.37 1.17 0.01 1.41 2.04 -0.59 -1.49 117.51 119.69 2uuu h ILE 59 Ca -0.03 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2uuu h ILE 59 Cb 0.28 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 2uuu h ILE 59 CO 0.05 0.19 -0.00 0.50 0.00 0.00 0.00 178.15 178.89 2uuu h LYS 60 N 0.69 -0.01 -0.10 2.37 3.64 -0.66 -1.80 116.57 120.69 2uuu h LYS 60 Ca 0.17 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2uuu h LYS 60 Cb 0.07 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2uuu h LYS 60 CO -0.02 0.39 -0.18 -0.22 -2.27 0.00 0.00 179.45 177.15 2uuu h LYS 61 N -0.41 -0.22 -0.02 1.90 3.64 -1.03 -3.19 116.57 117.25 2uuu h LYS 61 Ca -0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2uuu h LYS 61 Cb 0.40 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2uuu h LYS 61 CO 0.00 -0.15 -0.22 0.93 -2.27 0.00 0.00 179.45 177.74 2uuu h GLU 62 N -0.23 0.18 -1.81 1.90 4.39 -1.30 -3.35 114.58 114.35 2uuu h GLU 62 Ca 0.09 -0.17 -0.68 0.00 0.34 0.00 0.00 59.36 58.94 2uuu h GLU 62 Cb 0.36 0.04 -0.35 0.00 -0.10 0.00 0.00 28.75 28.71 2uuu h GLU 62 CO -0.24 0.88 0.17 1.28 -1.16 0.00 0.00 179.01 179.93 2uuu n LEU 63 N -4.53 6.10 0.00 1.33 4.77 -0.68 -4.61 117.00 119.38 2uuu n LEU 63 Ca -0.09 -5.08 0.00 0.00 -0.03 0.00 0.00 56.01 50.81 2uuu n LEU 63 Cb 0.47 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2uuu n LEU 63 CO 0.39 2.02 0.00 0.41 -1.33 0.00 0.00 177.39 178.88 2uuu n THR 64 N -0.48 0.00 -0.47 -5.08 -1.04 -1.20 -4.89 114.28 101.11 2uuu n THR 64 Ca 0.46 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.30 2uuu n THR 64 Cb 0.44 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 2uuu n THR 64 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2uuu n PRO 72 N 0.00 0.00 -2.32 -2.82 -0.04 -1.26 -4.59 135.00 123.98 2uuu n PRO 72 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2uuu n PRO 72 Cb 0.00 -0.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.92 2uuu n PRO 72 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2uuu s PHE 73 N 2.58 2.55 -0.08 0.54 5.36 -1.26 -5.01 117.98 122.66 2uuu s PHE 73 Ca 0.44 0.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 2uuu s PHE 73 Cb -0.47 -3.78 -0.02 0.00 -0.34 0.00 0.00 43.02 38.41 2uuu s PHE 73 CO 0.20 -2.19 -0.15 0.08 -1.46 0.00 0.00 175.22 171.70 2uuu s VAL 74 N 4.19 2.92 -0.35 3.12 1.01 -1.26 -5.10 120.40 124.93 2uuu s VAL 74 Ca 0.61 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 2uuu s VAL 74 Cb -0.22 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.01 2uuu s VAL 74 CO 0.22 0.57 0.87 -0.76 0.00 0.00 0.00 175.10 175.99 2uuu s LEU 75 N -0.29 4.05 -0.29 3.92 2.01 -1.26 -5.03 118.68 121.78 2uuu s LEU 75 Ca 0.02 0.56 -0.28 0.00 0.01 0.00 0.00 54.13 54.44 2uuu s LEU 75 Cb -0.13 -3.18 0.01 0.00 0.01 0.00 0.00 46.19 42.91 2uuu s LEU 75 CO 0.03 -0.78 1.02 -1.81 1.01 0.00 0.00 176.35 175.82 2uuu s ASP 76 N 1.80 6.94 -0.03 2.29 -0.00 -1.26 -5.02 116.67 121.40 2uuu s ASP 76 Ca 0.35 1.10 -0.30 0.00 -0.00 0.00 0.00 52.55 53.70 2uuu s ASP 76 Cb -0.13 -2.52 -0.04 0.00 -0.00 0.00 0.00 42.92 40.23 2uuu s ASP 76 CO 0.17 -0.77 1.27 -1.61 -0.00 0.00 0.00 175.17 174.23 2uuu s GLU 77 N 3.40 4.33 -0.62 8.23 2.02 -1.26 -3.13 118.70 131.67 2uuu s GLU 77 Ca 0.43 1.78 0.05 0.00 0.02 0.00 0.00 54.97 57.25 2uuu s GLU 77 Cb -0.13 -3.54 0.18 0.00 0.10 0.00 0.00 34.13 30.73 2uuu s GLU 77 CO 0.12 -0.48 0.47 0.25 0.02 0.00 0.00 175.26 175.65 2uuu n THR 78 N 4.57 0.87 -1.78 3.63 -2.24 0.75 -4.89 114.28 115.20 2uuu n THR 78 Ca 0.12 -4.49 -0.33 0.00 -2.27 0.00 0.00 64.05 57.08 2uuu n THR 78 Cb 0.45 -2.03 0.04 0.00 -2.10 0.00 0.00 70.33 66.69 2uuu n THR 78 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2uuu s PRO 79 N -1.14 2.84 0.60 -0.78 0.04 -1.26 -4.39 135.00 130.91 2uuu s PRO 79 Ca 0.28 1.37 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 2uuu s PRO 79 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2uuu s PRO 79 CO -0.17 -1.21 1.07 0.00 0.04 0.00 0.00 177.00 176.74 2uuu s ALA 80 N -2.36 2.69 0.31 8.56 0.00 -1.26 -5.01 121.76 124.68 2uuu s ALA 80 Ca 0.66 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 2uuu s ALA 80 Cb -0.20 -3.26 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 2uuu s ALA 80 CO 0.41 -0.87 1.31 -0.51 0.00 0.00 0.00 175.76 176.10 2uuu s LEU 81 N -4.44 4.43 0.57 0.00 1.43 -0.25 -5.00 118.68 115.41 2uuu s LEU 81 Ca 0.65 2.65 -0.19 0.00 -1.03 0.00 0.00 54.13 56.21 2uuu s LEU 81 Cb -0.18 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 2uuu s LEU 81 CO 0.36 -0.53 1.16 -1.10 0.23 0.00 0.00 176.35 176.46 2uuu s GLN 82 N -1.56 3.16 0.27 1.70 -1.52 -1.26 -4.95 119.66 115.51 2uuu s GLN 82 Ca 0.50 1.67 -0.02 0.00 -1.95 0.00 0.00 55.36 55.56 2uuu s GLN 82 Cb -0.39 -1.97 0.43 0.00 -0.22 0.00 0.00 33.01 30.86 2uuu s GLN 82 CO 0.51 -1.01 1.89 0.97 -0.25 0.00 0.00 175.29 177.39 2uuu h ILE 83 N 0.98 1.09 -0.66 1.08 2.10 -1.97 -1.73 117.51 118.40 2uuu h ILE 83 Ca -0.50 -0.40 0.11 0.00 1.08 0.00 0.00 64.86 65.16 2uuu h ILE 83 Cb 1.27 -0.17 -0.04 0.00 -1.09 0.00 0.00 36.82 36.79 2uuu h ILE 83 CO 0.56 0.21 0.44 1.05 -1.08 0.00 0.00 178.15 179.33 2uuu h GLU 84 N 1.15 0.42 -0.01 2.19 9.09 -2.04 -1.87 114.58 123.51 2uuu h GLU 84 Ca 0.42 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.81 2uuu h GLU 84 Cb 0.17 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 2uuu h GLU 84 CO -0.17 0.28 0.00 0.09 0.05 0.00 0.00 179.01 179.26 2uuu n ASN 85 N -4.47 0.44 -4.71 3.06 4.13 -0.66 -4.86 115.26 108.19 2uuu n ASN 85 Ca 0.11 -1.17 -0.37 0.00 1.68 0.00 0.00 54.58 54.83 2uuu n ASN 85 Cb 0.42 -0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.59 2uuu n ASN 85 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2uuu s ILE 86 N -2.00 5.24 -0.04 2.41 1.01 -0.71 -4.98 121.20 122.15 2uuu s ILE 86 Ca 0.44 0.72 -0.16 0.00 0.00 0.00 0.00 60.65 61.65 2uuu s ILE 86 Cb 0.21 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 2uuu s ILE 86 CO 0.35 0.33 0.44 -2.28 0.00 0.00 0.00 174.94 173.79 2uuu s HIS 87 N 0.73 3.66 -0.02 3.97 5.65 -1.26 -5.06 115.29 122.96 2uuu s HIS 87 Ca 0.20 0.98 0.01 0.00 0.25 0.00 0.00 55.06 56.50 2uuu s HIS 87 Cb -0.14 -2.40 0.01 0.00 -1.18 0.00 0.00 32.58 28.87 2uuu s HIS 87 CO 0.07 0.47 -0.03 0.08 -0.65 0.00 0.00 174.74 174.68 2uuu s VAL 88 N -0.47 0.35 0.62 0.89 1.01 -1.26 -4.48 120.40 117.06 2uuu s VAL 88 Ca 0.25 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.96 2uuu s VAL 88 Cb -0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2uuu s VAL 88 CO 0.13 0.15 1.26 -1.81 0.00 0.00 0.00 175.10 174.82 2uuu s ASP 89 N 0.52 4.84 0.53 3.32 1.01 -1.26 -4.97 116.67 120.66 2uuu s ASP 89 Ca -0.06 2.53 -0.21 0.00 0.71 0.00 0.00 52.55 55.53 2uuu s ASP 89 Cb -0.09 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.15 2uuu s ASP 89 CO -0.01 -1.84 0.94 -2.65 0.21 0.00 0.00 175.17 171.83 2uuu n PRO 90 N -1.77 1.06 -1.73 8.23 -0.02 -1.26 -4.96 135.00 134.55 2uuu n PRO 90 Ca 0.15 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.67 2uuu n PRO 90 Cb 0.49 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.95 2uuu n PRO 90 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2uuu s PRO 91 N -2.41 2.57 0.95 0.52 0.02 -1.26 -4.99 135.00 130.40 2uuu s PRO 91 Ca 0.70 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 63.39 2uuu s PRO 91 Cb -0.47 -1.88 0.16 0.00 0.02 0.00 0.00 34.50 32.33 2uuu s PRO 91 CO 0.52 -1.51 1.09 0.15 -0.33 0.00 0.00 177.00 176.92 2uuu s LYS 92 N -3.64 0.83 -0.08 5.54 1.02 -1.26 -5.05 119.74 117.10 2uuu s LYS 92 Ca 0.76 1.03 0.01 0.00 0.02 0.00 0.00 55.97 57.79 2uuu s LYS 92 Cb -0.30 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2uuu s LYS 92 CO 0.39 -2.59 -0.10 -0.65 -0.92 0.00 0.00 175.35 171.48 2uuu s GLN 93 N -4.76 2.91 -0.43 1.68 -0.21 -1.26 -5.00 119.66 112.58 2uuu s GLN 93 Ca 0.65 -0.62 0.06 0.00 0.02 0.00 0.00 55.36 55.47 2uuu s GLN 93 Cb -0.20 -2.57 0.20 0.00 1.00 0.00 0.00 33.01 31.44 2uuu s GLN 93 CO 0.59 0.51 0.53 0.98 -2.12 0.00 0.00 175.29 175.77 2uuu n TYR 94 N 2.67 -1.60 -0.21 0.91 -0.00 -1.26 -5.01 117.16 112.65 2uuu n TYR 94 Ca -0.18 -2.84 0.01 0.00 -0.00 0.00 0.00 57.90 54.90 2uuu n TYR 94 Cb 0.53 0.47 0.12 0.00 -0.00 0.00 0.00 39.34 40.46 2uuu n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 2uuu h PRO 95 N 4.87 0.37 -0.04 2.98 0.13 -1.99 -1.68 132.00 136.64 2uuu h PRO 95 Ca 0.13 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.14 2uuu h PRO 95 Cb 0.95 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2uuu h PRO 95 CO 0.33 0.25 -0.41 1.05 -0.23 0.00 0.00 178.00 178.98 2uuu h GLU 96 N 0.38 0.09 -0.03 0.86 9.09 -1.99 0.95 114.58 123.93 2uuu h GLU 96 Ca 0.33 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.60 2uuu h GLU 96 Cb 0.45 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 2uuu h GLU 96 CO -0.35 0.49 -0.36 0.35 0.05 0.00 0.00 179.01 179.19 2uuu h PHE 97 N 0.08 0.42 -0.49 2.06 3.04 -1.92 -3.10 116.94 117.02 2uuu h PHE 97 Ca 0.00 -0.21 -0.04 0.00 3.98 0.00 0.00 57.97 61.71 2uuu h PHE 97 Cb 0.77 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 2uuu h PHE 97 CO 0.00 0.98 0.14 0.28 -2.02 0.00 0.00 178.31 177.70 2uuu h VAL 98 N -0.26 1.20 -0.38 1.41 2.07 -1.09 -1.90 116.25 117.31 2uuu h VAL 98 Ca -0.04 -0.70 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2uuu h VAL 98 Cb 1.05 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 2uuu h VAL 98 CO 0.07 0.26 0.04 -0.09 0.02 0.00 0.00 177.57 177.87 2uuu h ARG 99 N 0.71 0.14 -0.41 1.57 2.43 -0.91 -1.58 114.38 116.33 2uuu h ARG 99 Ca 0.16 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2uuu h ARG 99 Cb 0.23 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2uuu h ARG 99 CO -0.01 0.09 0.12 0.93 -1.51 0.00 0.00 179.97 179.60 2uuu h GLU 100 N 0.15 0.64 -0.22 0.20 4.39 -1.31 -2.81 114.58 115.61 2uuu h GLU 100 Ca 0.19 -0.14 0.06 0.00 0.34 0.00 0.00 59.36 59.80 2uuu h GLU 100 Cb 0.24 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.73 2uuu h GLU 100 CO -0.28 0.64 -0.34 -0.07 -1.16 0.00 0.00 179.01 177.80 2uuu h LEU 101 N 0.52 -1.08 -2.15 1.33 4.07 -1.17 -2.67 115.31 114.16 2uuu h LEU 101 Ca 0.13 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.26 2uuu h LEU 101 Cb 0.27 0.47 0.00 0.00 1.08 0.00 0.00 40.66 42.48 2uuu h LEU 101 CO -0.00 -0.36 0.00 0.11 -1.08 0.00 0.00 178.44 177.11 2uuu h LYS 102 N -0.36 0.00 0.00 1.13 1.57 -1.18 0.17 116.57 117.89 2uuu h LYS 102 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2uuu h LYS 102 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2uuu h LYS 102 CO -0.42 0.00 -0.21 0.00 -0.57 0.00 0.00 179.45 178.25 2uuu h ALA 103 N 2.02 0.96 0.00 3.86 0.00 -1.21 -3.38 119.26 121.51 2uuu h ALA 103 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2uuu h ALA 103 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2uuu h ALA 103 CO 0.00 0.26 -1.46 1.19 0.00 0.00 0.00 179.25 179.24 2uuu n PHE 104 N -3.29 0.00 -3.54 0.00 3.72 -0.46 -5.06 117.46 108.83 2uuu n PHE 104 Ca 0.01 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.05 2uuu n PHE 104 Cb 0.47 -0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2uuu n PHE 104 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2uuu s PHE 105 N -2.16 3.63 0.56 1.38 0.40 0.46 -5.08 117.98 117.17 2uuu s PHE 105 Ca -0.11 0.88 -0.19 0.00 -0.60 0.00 0.00 56.93 56.91 2uuu s PHE 105 Cb 0.03 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 2uuu s PHE 105 CO 0.19 0.55 1.17 -0.51 0.70 0.00 0.00 175.22 177.32 2uuu s LEU 106 N -1.64 3.73 0.36 -0.37 1.43 -1.26 -4.55 118.68 116.38 2uuu s LEU 106 Ca 0.30 2.28 0.05 0.00 -1.03 0.00 0.00 54.13 55.74 2uuu s LEU 106 Cb -0.15 -4.57 0.73 0.00 0.03 0.00 0.00 46.19 42.23 2uuu s LEU 106 CO 0.16 -1.37 1.96 -0.65 0.23 0.00 0.00 176.35 176.69 2uuu h PRO 107 N 1.12 0.75 0.00 1.29 0.11 -1.93 -1.12 132.00 132.22 2uuu h PRO 107 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 2uuu h PRO 107 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2uuu h PRO 107 CO 0.56 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.45 2uuu n ASP 108 N -4.48 0.16 -0.03 -2.05 5.75 -1.26 -2.14 116.55 112.50 2uuu n ASP 108 Ca 0.10 0.56 0.13 0.00 -0.01 0.00 0.00 54.79 55.56 2uuu n ASP 108 Cb 0.21 -0.58 0.35 0.00 -1.03 0.00 0.00 41.12 40.07 2uuu n ASP 108 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2uuu n GLN 109 N -1.69 0.14 -4.57 0.11 6.02 -0.42 -4.80 117.38 112.16 2uuu n GLN 109 Ca 0.01 -0.07 -0.33 0.00 -0.01 0.00 0.00 57.00 56.60 2uuu n GLN 109 Cb 0.09 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 29.69 2uuu n GLN 109 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2uuu s LEU 110 N -2.91 2.35 -0.01 1.08 1.43 -0.91 -0.91 118.68 118.80 2uuu s LEU 110 Ca 0.14 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 2uuu s LEU 110 Cb 0.18 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 2uuu s LEU 110 CO 0.64 0.08 -0.14 -0.54 0.23 0.00 0.00 176.35 176.61 2uuu s LYS 111 N 0.83 1.18 0.00 1.70 -0.14 0.11 -4.97 119.74 118.45 2uuu s LYS 111 Ca -0.06 -0.52 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 2uuu s LYS 111 Cb -0.15 -1.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.86 2uuu s LYS 111 CO -0.01 0.31 0.76 -0.40 -0.76 0.00 0.00 175.35 175.25 2uuu n ASP 112 N 2.73 0.00 -4.71 2.83 3.85 -1.26 -0.67 116.55 119.32 2uuu n ASP 112 Ca -0.14 -1.58 -0.30 0.00 -0.71 0.00 0.00 54.79 52.06 2uuu n ASP 112 Cb 0.55 -0.12 0.14 0.00 -1.35 0.00 0.00 41.12 40.34 2uuu n ASP 112 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.20 177.70 2uuu s ASP 113 N -0.58 3.53 0.17 -1.12 -4.77 -1.26 -4.78 116.67 107.86 2uuu s ASP 113 Ca 0.00 1.68 -0.18 0.00 -3.30 0.00 0.00 52.55 50.75 2uuu s ASP 113 Cb 0.00 -2.33 0.09 0.00 -1.09 0.00 0.00 42.92 39.59 2uuu s ASP 113 CO 0.00 -2.63 1.66 0.50 0.70 0.00 0.00 175.17 175.40 2uuu h LYS 114 N -1.54 -0.04 -0.39 2.11 3.64 -1.99 -1.07 116.57 117.28 2uuu h LYS 114 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2uuu h LYS 114 Cb 1.27 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 2uuu h LYS 114 CO 0.52 -0.02 0.22 1.25 -2.27 0.00 0.00 179.45 179.15 2uuu h LEU 115 N -0.04 0.49 -0.96 5.20 5.85 -1.99 -0.05 115.31 123.81 2uuu h LEU 115 Ca 0.19 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2uuu h LEU 115 Cb 0.33 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2uuu h LEU 115 CO -0.43 0.42 0.45 0.00 -0.34 0.00 0.00 178.44 178.55 2uuu h ALA 116 N 1.08 1.20 -0.07 1.25 0.00 -1.86 -0.95 119.26 119.91 2uuu h ALA 116 Ca 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2uuu h ALA 116 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2uuu h ALA 116 CO -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 2uuu h ARG 117 N 1.19 0.14 -0.39 0.00 3.08 -0.65 -2.68 114.38 115.07 2uuu h ARG 117 Ca 0.30 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.32 2uuu h ARG 117 Cb 0.04 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2uuu h ARG 117 CO -0.05 0.44 0.21 0.82 -1.07 0.00 0.00 179.97 180.33 2uuu h ILE 118 N -0.18 1.01 0.00 2.04 2.04 -0.92 -2.54 117.51 118.96 2uuu h ILE 118 Ca 0.02 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2uuu h ILE 118 Cb 0.39 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2uuu h ILE 118 CO 0.01 0.08 0.00 0.35 0.00 0.00 0.00 178.15 178.58 2uuu n THR 119 N -4.90 0.95 -0.96 -0.27 -2.24 -0.37 -2.03 114.28 104.46 2uuu n THR 119 Ca 0.01 0.28 0.09 0.00 -2.27 0.00 0.00 64.05 62.16 2uuu n THR 119 Cb 0.08 -1.16 0.24 0.00 -2.10 0.00 0.00 70.33 67.39 2uuu n THR 119 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2uuu n HIS 120 N -1.96 0.82 -0.12 4.78 8.25 -0.98 -4.48 115.22 121.53 2uuu n HIS 120 Ca 0.02 -0.87 -0.17 0.00 -0.26 0.00 0.00 57.72 56.44 2uuu n HIS 120 Cb 0.19 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 30.91 2uuu n HIS 120 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2uuu n THR 121 N -0.55 1.36 -4.78 1.59 -1.04 -0.86 -4.57 114.28 105.44 2uuu n THR 121 Ca 0.20 -0.51 -0.31 0.00 -2.04 0.00 0.00 64.05 61.39 2uuu n THR 121 Cb 0.84 -1.36 -0.13 0.00 -1.82 0.00 0.00 70.33 67.86 2uuu n THR 121 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2uuu s PHE 122 N -2.47 2.55 0.00 -1.42 0.40 -1.23 -4.03 117.98 111.78 2uuu s PHE 122 Ca -0.32 -0.26 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 2uuu s PHE 122 Cb 0.08 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2uuu s PHE 122 CO 0.54 0.21 0.00 0.41 0.70 0.00 0.00 175.22 177.08 2uuu n GLY 123 N 1.78 1.40 0.30 4.36 0.00 -1.26 -4.94 105.19 106.84 2uuu n GLY 123 Ca -0.16 -1.70 0.08 0.00 0.00 0.00 0.00 46.02 44.24 2uuu n GLY 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uuu n LYS 124 N 0.00 1.27 -1.32 1.61 4.76 -0.66 -4.66 118.16 119.16 2uuu n LYS 124 Ca 0.00 -2.71 -0.30 0.00 -2.87 0.00 0.00 58.31 52.43 2uuu n LYS 124 Cb 0.00 -1.44 0.11 0.00 -1.84 0.00 0.00 35.03 31.86 2uuu n LYS 124 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2uuu s SER 125 N -2.87 3.98 0.20 4.39 1.04 -1.25 -4.86 113.70 114.33 2uuu s SER 125 Ca 0.32 1.50 -0.11 0.00 0.48 0.00 0.00 55.95 58.14 2uuu s SER 125 Cb 0.30 -2.21 0.23 0.00 0.10 0.00 0.00 66.02 64.43 2uuu s SER 125 CO -0.01 -2.32 1.73 0.25 0.98 0.00 0.00 173.24 173.87 2uuu h LEU 126 N -1.33 0.13 -0.98 2.42 5.85 -1.91 -1.98 115.31 117.52 2uuu h LEU 126 Ca -0.48 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2uuu h LEU 126 Cb 1.27 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2uuu h LEU 126 CO 0.55 0.09 0.04 -0.09 -0.34 0.00 0.00 178.44 178.69 2uuu h ARG 127 N 0.33 0.78 0.21 1.25 2.43 -1.96 0.54 114.38 117.97 2uuu h ARG 127 Ca 0.27 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2uuu h ARG 127 Cb 0.34 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2uuu h ARG 127 CO -0.30 0.76 -0.11 -0.44 -1.51 0.00 0.00 179.97 178.37 2uuu h ASP 128 N 0.74 -0.26 -0.48 -3.80 3.32 -1.80 -1.93 116.42 112.21 2uuu h ASP 128 Ca 0.15 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 2uuu h ASP 128 Cb 0.39 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2uuu h ASP 128 CO 0.01 -0.18 0.15 -0.07 -1.72 0.00 0.00 179.24 177.43 2uuu h LEU 129 N -0.30 0.69 -0.29 1.55 3.38 -0.95 -1.89 115.31 117.51 2uuu h LEU 129 Ca -0.03 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 57.80 2uuu h LEU 129 Cb 0.23 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2uuu h LEU 129 CO 0.04 0.71 -0.06 0.40 0.09 0.00 0.00 178.44 179.63 2uuu h ILE 130 N 0.64 0.72 0.26 1.22 1.08 -0.86 -1.42 117.51 119.15 2uuu h ILE 130 Ca 0.15 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.61 2uuu h ILE 130 Cb 0.27 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2uuu h ILE 130 CO -0.01 0.00 -0.13 0.03 -0.69 0.00 0.00 178.15 177.36 2uuu h ARG 131 N 0.02 -0.34 -0.42 2.37 3.08 -1.19 -2.56 114.38 115.34 2uuu h ARG 131 Ca 0.14 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2uuu h ARG 131 Cb 0.21 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2uuu h ARG 131 CO -0.29 -0.18 0.21 -0.24 -1.07 0.00 0.00 179.97 178.40 2uuu h VAL 132 N -0.41 1.15 0.00 2.04 3.04 -1.30 0.53 116.25 121.29 2uuu h VAL 132 Ca -0.04 -0.41 -0.04 0.00 -1.01 0.00 0.00 66.70 65.21 2uuu h VAL 132 Cb 0.31 0.60 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 2uuu h VAL 132 CO 0.06 0.17 -0.20 0.03 -1.01 0.00 0.00 177.57 176.61 2uuu h ARG 133 N 0.59 0.00 -0.61 4.17 3.08 -1.04 -1.39 114.38 119.18 2uuu h ARG 133 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2uuu h ARG 133 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2uuu h ARG 133 CO -0.02 0.20 0.00 0.44 -1.07 0.00 0.00 179.97 179.52 2uuu n ILE 134 N -3.40 1.00 -1.69 2.04 -5.35 -0.98 -1.09 119.36 109.88 2uuu n ILE 134 Ca -0.00 -1.00 -0.06 0.00 -0.27 0.00 0.00 62.75 61.42 2uuu n ILE 134 Cb 0.40 0.50 -0.01 0.00 -1.74 0.00 0.00 39.64 38.79 2uuu n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2uuu n GLY 135 N 1.27 0.46 3.41 3.28 0.00 -0.53 -4.98 105.19 108.10 2uuu n GLY 135 Ca 0.20 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 2uuu n GLY 135 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2uuu s GLN 136 N -3.50 3.29 -0.50 1.61 0.74 0.12 -4.46 119.66 116.96 2uuu s GLN 136 Ca 0.00 -1.48 0.03 0.00 0.05 0.00 0.00 55.36 53.95 2uuu s GLN 136 Cb 0.00 -4.47 0.13 0.00 1.10 0.00 0.00 33.01 29.77 2uuu s GLN 136 CO 0.00 -1.64 0.24 0.08 -0.55 0.00 0.00 175.29 173.42 2uuu s VAL 137 N 2.68 2.71 -0.03 1.34 1.01 -1.26 -4.47 120.40 122.38 2uuu s VAL 137 Ca 0.21 -3.05 -0.18 0.00 0.00 0.00 0.00 61.98 58.96 2uuu s VAL 137 Cb -0.15 -2.88 -0.11 0.00 0.00 0.00 0.00 36.38 33.24 2uuu s VAL 137 CO 0.01 -0.77 0.76 0.50 0.00 0.00 0.00 175.10 175.59 2uuu h LYS 138 N 6.84 -0.50 -3.61 2.72 3.64 -1.93 -3.44 116.57 120.29 2uuu h LYS 138 Ca -0.07 0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 58.87 2uuu h LYS 138 Cb 0.93 0.11 -0.39 0.00 -0.41 0.00 0.00 32.23 32.47 2uuu h LYS 138 CO 0.66 -0.26 -0.77 -0.80 -2.27 0.00 0.00 179.45 176.01 2uuu s ASN 139 N -4.98 2.22 0.29 4.20 0.01 -1.26 -4.95 114.94 110.46 2uuu s ASN 139 Ca -0.10 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.65 2uuu s ASN 139 Cb 0.01 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 41.14 2uuu s ASN 139 CO 0.32 -0.25 0.44 0.00 -1.51 0.00 0.00 177.10 176.09 2uuu s ALA 140 N 1.93 3.87 0.62 0.60 0.00 -1.26 -4.38 121.76 123.13 2uuu s ALA 140 Ca 0.02 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 2uuu s ALA 140 Cb -0.15 -1.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2uuu s ALA 140 CO -0.07 0.12 1.13 -1.25 0.00 0.00 0.00 175.76 175.69 2uuu s PRO 141 N -4.11 2.97 0.33 0.00 0.04 -1.26 -4.94 135.00 128.01 2uuu s PRO 141 Ca 0.37 1.50 0.17 0.00 0.04 0.00 0.00 61.00 63.09 2uuu s PRO 141 Cb -0.09 -1.96 0.31 0.00 0.04 0.00 0.00 34.50 32.80 2uuu s PRO 141 CO 0.32 -1.14 1.56 -0.44 0.04 0.00 0.00 177.00 177.34 2uuu h ASP 142 N 0.45 0.00 -4.52 6.66 3.32 -1.23 -3.47 116.42 117.63 2uuu h ASP 142 Ca -0.48 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.47 2uuu h ASP 142 Cb 1.26 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 2uuu h ASP 142 CO 0.55 0.41 -0.11 -0.22 -1.72 0.00 0.00 179.24 178.15 2uuu s LEU 143 N -6.59 0.18 -0.20 1.55 2.96 -1.10 -4.78 118.68 110.70 2uuu s LEU 143 Ca 0.03 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 2uuu s LEU 143 Cb 0.08 1.74 -0.03 0.00 0.50 0.00 0.00 46.19 48.49 2uuu s LEU 143 CO 0.71 -0.36 0.01 -0.63 -1.32 0.00 0.00 176.35 174.76 2uuu s ILE 144 N -0.61 4.01 -0.14 6.68 1.09 0.16 -0.98 121.20 131.42 2uuu s ILE 144 Ca -0.07 -0.29 -0.03 0.00 -1.10 0.00 0.00 60.65 59.16 2uuu s ILE 144 Cb -0.03 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.52 2uuu s ILE 144 CO 0.04 0.43 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.58 2uuu s VAL 145 N 0.99 3.95 -0.68 2.92 1.01 -0.32 -0.71 120.40 127.56 2uuu s VAL 145 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2uuu s VAL 145 Cb -0.14 -2.71 0.17 0.00 0.00 0.00 0.00 36.38 33.70 2uuu s VAL 145 CO 0.02 0.52 0.50 -0.76 0.00 0.00 0.00 175.10 175.38 2uuu s LEU 146 N 0.04 5.05 0.77 3.92 1.43 -0.09 -1.56 118.68 128.24 2uuu s LEU 146 Ca 0.00 -3.29 -0.12 0.00 -1.03 0.00 0.00 54.13 49.69 2uuu s LEU 146 Cb -0.13 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.36 2uuu s LEU 146 CO 0.03 -0.24 1.14 -2.16 0.23 0.00 0.00 176.35 175.34 2uuu s PRO 147 N -0.68 2.05 0.00 1.29 0.04 -1.26 -4.82 135.00 131.62 2uuu s PRO 147 Ca 0.21 1.45 0.10 0.00 0.04 0.00 0.00 61.00 62.80 2uuu s PRO 147 Cb -0.15 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 2uuu s PRO 147 CO -0.07 -1.84 0.49 0.72 0.04 0.00 0.00 177.00 176.34 2uuu n HIS 148 N -3.25 0.00 -3.75 0.56 8.25 -1.26 -4.20 115.22 111.56 2uuu n HIS 148 Ca 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.49 2uuu n HIS 148 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 2uuu n HIS 148 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2uuu s SER 149 N -1.71 -0.32 0.17 0.41 1.04 -1.26 -4.75 113.70 107.27 2uuu s SER 149 Ca 0.05 -0.47 -0.15 0.00 0.48 0.00 0.00 55.95 55.86 2uuu s SER 149 Cb 0.08 0.68 0.12 0.00 0.10 0.00 0.00 66.02 67.00 2uuu s SER 149 CO 0.34 -1.23 1.70 -0.74 0.98 0.00 0.00 173.24 174.29 2uuu h HIS 150 N 2.03 0.01 -0.80 5.02 2.76 -1.96 -1.51 115.15 120.69 2uuu h HIS 150 Ca -0.24 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.01 2uuu h HIS 150 Cb 1.26 0.06 -0.05 0.00 1.55 0.00 0.00 27.41 30.24 2uuu h HIS 150 CO 0.38 -0.07 0.53 0.93 -1.30 0.00 0.00 177.93 178.40 2uuu h GLU 151 N 0.13 0.93 -0.33 5.26 3.07 -1.99 -0.61 114.58 121.03 2uuu h GLU 151 Ca 0.20 -0.06 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 2uuu h GLU 151 Cb 0.28 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.97 2uuu h GLU 151 CO -0.32 0.61 -0.07 0.93 -1.40 0.00 0.00 179.01 178.76 2uuu h GLU 152 N 0.95 0.64 -0.34 2.33 5.08 -1.78 -1.92 114.58 119.54 2uuu h GLU 152 Ca 0.33 -0.24 0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2uuu h GLU 152 Cb 0.09 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.25 2uuu h GLU 152 CO -0.10 0.81 0.02 0.28 -1.00 0.00 0.00 179.01 179.02 2uuu h VAL 153 N 0.42 0.77 -0.77 3.13 2.07 -0.81 -1.18 116.25 119.89 2uuu h VAL 153 Ca 0.09 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.69 2uuu h VAL 153 Cb 0.57 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 2uuu h VAL 153 CO 0.03 0.02 0.35 -0.33 0.02 0.00 0.00 177.57 177.66 2uuu h GLU 154 N 0.13 0.51 -0.52 1.57 5.08 -0.94 -0.60 114.58 119.81 2uuu h GLU 154 Ca 0.17 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2uuu h GLU 154 Cb 0.21 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2uuu h GLU 154 CO -0.26 0.34 0.16 -0.09 -1.00 0.00 0.00 179.01 178.16 2uuu h ARG 155 N 0.53 0.81 -0.42 2.33 9.65 -0.58 -2.15 114.38 124.55 2uuu h ARG 155 Ca 0.41 -0.18 -0.15 0.00 -1.10 0.00 0.00 59.98 58.96 2uuu h ARG 155 Cb 0.57 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2uuu h ARG 155 CO -0.36 0.76 -0.32 1.25 2.80 0.00 0.00 179.97 184.10 2uuu h LEU 156 N 0.72 1.00 -0.30 3.80 5.85 -0.56 -1.26 115.31 124.55 2uuu h LEU 156 Ca 0.17 -0.44 -0.13 0.00 0.84 0.00 0.00 57.88 58.32 2uuu h LEU 156 Cb 0.28 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2uuu h LEU 156 CO -0.00 1.23 -0.31 0.58 -0.34 0.00 0.00 178.44 179.60 2uuu h VAL 157 N 0.78 1.30 -0.35 1.05 2.07 -1.09 0.01 116.25 120.02 2uuu h VAL 157 Ca 0.08 -1.48 0.05 0.00 0.82 0.00 0.00 66.70 66.16 2uuu h VAL 157 Cb 0.91 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 2uuu h VAL 157 CO 0.08 0.48 0.09 1.56 0.02 0.00 0.00 177.57 179.80 2uuu h GLN 158 N 0.50 0.21 -0.54 1.57 4.20 -1.27 -1.10 115.11 118.68 2uuu h GLN 158 Ca 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2uuu h GLN 158 Cb 0.89 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.60 2uuu h GLN 158 CO 0.08 0.14 0.24 -0.07 -0.67 0.00 0.00 178.83 178.55 2uuu h LEU 159 N 0.22 0.73 -0.58 1.46 3.38 -1.05 -1.21 115.31 118.26 2uuu h LEU 159 Ca 0.16 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2uuu h LEU 159 Cb 0.17 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2uuu h LEU 159 CO -0.20 0.68 0.36 0.00 0.09 0.00 0.00 178.44 179.37 2uuu h ALA 160 N 1.08 0.75 -0.29 1.53 0.00 -0.80 -0.81 119.26 120.72 2uuu h ALA 160 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2uuu h ALA 160 Cb 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2uuu h ALA 160 CO -0.02 0.09 0.15 1.25 0.00 0.00 0.00 179.25 180.73 2uuu h HIS 161 N 0.71 0.40 -0.25 0.00 -0.00 -1.11 0.97 115.15 115.87 2uuu h HIS 161 Ca 0.23 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.63 2uuu h HIS 161 Cb 0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.25 2uuu h HIS 161 CO -0.05 0.34 -0.01 -0.22 -0.00 0.00 0.00 177.93 177.99 2uuu h LYS 162 N 0.34 0.06 -0.02 5.26 3.64 -0.99 -3.12 116.57 121.76 2uuu h LYS 162 Ca 0.10 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2uuu h LYS 162 Cb 0.08 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2uuu h LYS 162 CO -0.01 0.04 -0.01 0.66 -2.27 0.00 0.00 179.45 177.86 2uuu n TYR 163 N -5.16 0.00 -3.37 1.91 4.01 -0.33 -4.96 117.16 109.26 2uuu n TYR 163 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 2uuu n TYR 163 Cb 0.13 -0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 2uuu n TYR 163 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2uuu n ASN 164 N 0.23 -4.89 -4.46 7.72 5.15 0.01 -5.03 115.26 113.99 2uuu n ASN 164 Ca 0.18 -0.72 -0.34 0.00 -0.60 0.00 0.00 54.58 53.10 2uuu n ASN 164 Cb 0.37 -4.94 -0.12 0.00 -0.53 0.00 0.00 39.78 34.56 2uuu n ASN 164 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2uuu s VAL 165 N -3.41 3.93 0.28 3.44 1.01 0.12 -4.69 120.40 121.10 2uuu s VAL 165 Ca 0.30 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2uuu s VAL 165 Cb -0.05 -2.76 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 2uuu s VAL 165 CO 0.75 0.45 1.41 -0.69 0.00 0.00 0.00 175.10 177.03 2uuu s VAL 166 N 0.79 2.61 -0.05 2.92 1.01 -0.48 -4.67 120.40 122.53 2uuu s VAL 166 Ca -0.00 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.56 2uuu s VAL 166 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2uuu s VAL 166 CO 0.02 0.10 -0.16 0.27 0.00 0.00 0.00 175.10 175.33 2uuu s ILE 167 N -0.41 1.38 -0.22 2.22 -4.36 0.12 -0.90 121.20 119.02 2uuu s ILE 167 Ca 0.56 -0.67 -0.00 0.00 -0.26 0.00 0.00 60.65 60.28 2uuu s ILE 167 Cb -0.42 -1.20 0.06 0.00 1.25 0.00 0.00 42.46 42.15 2uuu s ILE 167 CO 0.48 0.40 -0.03 -0.63 0.24 0.00 0.00 174.94 175.40 2uuu s ILE 168 N 0.20 1.24 0.46 8.37 1.01 -0.11 -1.19 121.20 131.19 2uuu s ILE 168 Ca -0.07 -1.01 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 2uuu s ILE 168 Cb -0.13 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 2uuu s ILE 168 CO 0.03 -0.12 1.04 -2.16 0.00 0.00 0.00 174.94 173.73 2uuu s PRO 169 N 1.53 3.92 -0.03 2.79 0.04 -1.26 -0.98 135.00 141.01 2uuu s PRO 169 Ca -0.04 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.40 2uuu s PRO 169 Cb -0.18 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 32.15 2uuu s PRO 169 CO -0.07 -0.33 -0.03 1.41 0.04 0.00 0.00 177.00 178.02 2uuu s MET 170 N -3.03 0.53 0.00 4.56 -2.45 0.43 -4.87 119.30 114.48 2uuu s MET 170 Ca 0.64 -0.08 0.00 0.00 -1.25 0.00 0.00 55.69 55.01 2uuu s MET 170 Cb -0.18 -0.58 0.00 0.00 1.25 0.00 0.00 34.83 35.32 2uuu s MET 170 CO 0.22 -0.03 0.00 0.41 1.05 0.00 0.00 175.02 176.67 2uuu n GLY 171 N 3.70 0.31 0.04 2.11 0.00 -1.26 -1.32 105.19 108.77 2uuu n GLY 171 Ca -0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.94 2uuu n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuu n GLY 172 N 5.00 -1.58 2.41 -0.02 0.00 -1.26 -4.81 105.19 104.94 2uuu n GLY 172 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2uuu n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuu n GLY 173 N 1.43 -0.33 0.04 -0.02 0.00 -1.26 -4.90 105.19 100.15 2uuu n GLY 173 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2uuu n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 174 N -1.91 0.29 -4.70 1.61 3.41 -1.26 -3.11 113.62 107.95 2uuu n SER 174 Ca -0.22 -0.10 -0.36 0.00 -0.26 0.00 0.00 58.87 57.93 2uuu n SER 174 Cb 0.67 -0.16 0.09 0.00 -0.26 0.00 0.00 64.21 64.55 2uuu n SER 174 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2uuu n ASN 175 N -1.29 1.49 -0.43 4.04 0.23 -1.26 -4.28 115.26 113.76 2uuu n ASN 175 Ca 0.10 0.74 0.09 0.00 -0.53 0.00 0.00 54.58 54.97 2uuu n ASN 175 Cb 0.31 -1.51 0.19 0.00 -2.08 0.00 0.00 39.78 36.68 2uuu n ASN 175 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2uuu n ILE 176 N -2.38 2.07 -0.24 1.53 -5.35 -1.26 -1.65 119.36 112.08 2uuu n ILE 176 Ca 0.15 -2.20 0.03 0.00 -0.27 0.00 0.00 62.75 60.46 2uuu n ILE 176 Cb 0.49 -0.25 0.05 0.00 -1.74 0.00 0.00 39.64 38.19 2uuu n ILE 176 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 2uuu n VAL 177 N -1.09 1.20 -1.87 7.28 0.24 -1.26 -4.66 118.33 118.17 2uuu n VAL 177 Ca 0.19 -1.24 -0.10 0.00 -2.04 0.00 0.00 64.34 61.15 2uuu n VAL 177 Cb 0.75 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2uuu n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuu n GLY 178 N -0.51 0.38 0.18 7.63 0.00 -1.26 -4.93 105.19 106.67 2uuu n GLY 178 Ca 0.05 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.59 2uuu n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuu h ALA 179 N 0.30 1.12 -0.04 4.61 0.00 -1.94 -2.80 119.26 120.51 2uuu h ALA 179 Ca -0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2uuu h ALA 179 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2uuu h ALA 179 CO 0.28 0.50 0.00 0.44 0.00 0.00 0.00 179.25 180.47 2uuu n ILE 180 N -3.75 0.01 -2.01 0.00 -5.35 -1.26 -4.99 119.36 102.02 2uuu n ILE 180 Ca -0.01 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.60 2uuu n ILE 180 Cb 0.48 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.61 2uuu n ILE 180 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2uuu s GLU 181 N -1.99 4.22 0.28 6.28 2.12 -1.06 -4.83 118.70 123.73 2uuu s GLU 181 Ca 0.31 2.24 -0.30 0.00 0.36 0.00 0.00 54.97 57.58 2uuu s GLU 181 Cb 0.20 -3.56 -0.10 0.00 0.26 0.00 0.00 34.13 30.93 2uuu s GLU 181 CO 0.31 -0.68 1.43 -2.14 -0.54 0.00 0.00 175.26 173.63 2uuu s PRO 182 N 2.46 4.26 -0.00 4.30 0.02 -1.26 -4.91 135.00 139.87 2uuu s PRO 182 Ca 0.71 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.07 2uuu s PRO 182 Cb -0.38 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2uuu s PRO 182 CO 0.31 -0.40 0.69 0.28 -0.33 0.00 0.00 177.00 177.55 2uuu n VAL 183 N 1.79 0.07 -3.18 3.83 0.31 -1.26 -4.72 118.33 115.16 2uuu n VAL 183 Ca 0.05 -0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.06 2uuu n VAL 183 Cb 0.40 0.80 -0.06 0.00 -0.91 0.00 0.00 33.84 34.08 2uuu n VAL 183 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2uuu n SER 184 N -0.04 2.68 0.00 4.52 7.64 -1.26 -4.92 113.62 122.24 2uuu n SER 184 Ca 0.00 -3.28 0.07 0.00 1.01 0.00 0.00 58.87 56.67 2uuu n SER 184 Cb 0.56 -0.62 0.44 0.00 -1.01 0.00 0.00 64.21 63.57 2uuu n SER 184 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2uuu n ASN 185 N 0.50 0.00 0.04 6.43 6.94 -1.26 -2.45 115.26 125.45 2uuu n ASN 185 Ca 0.28 -0.51 -0.01 0.00 -0.02 0.00 0.00 54.58 54.31 2uuu n ASN 185 Cb 0.48 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.82 2uuu n ASN 185 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2uuu h GLU 186 N 0.00 0.00 -6.57 -3.83 3.07 -2.04 -3.47 114.58 101.73 2uuu h GLU 186 Ca 0.00 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.21 2uuu h GLU 186 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 27.75 2uuu h GLU 186 CO 0.00 0.33 -0.76 1.03 -1.40 0.00 0.00 179.01 178.21 2uuu s ARG 187 N -2.90 1.95 0.15 2.33 0.52 -1.03 -5.09 118.95 114.89 2uuu s ARG 187 Ca -0.02 -1.21 -0.34 0.00 -0.52 0.00 0.00 55.73 53.64 2uuu s ARG 187 Cb 0.09 -2.15 -0.14 0.00 0.52 0.00 0.00 34.95 33.27 2uuu s ARG 187 CO 0.81 0.46 1.61 0.34 0.02 0.00 0.00 175.30 178.53 2uuu n PHE 188 N 0.44 2.32 -4.91 -0.53 7.35 -1.26 -4.83 117.46 116.02 2uuu n PHE 188 Ca -0.13 0.23 -0.26 0.00 -0.76 0.00 0.00 57.45 56.53 2uuu n PHE 188 Cb 0.54 -2.56 -0.16 0.00 0.35 0.00 0.00 39.48 37.65 2uuu n PHE 188 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2uuu s THR 189 N 1.10 1.50 -0.12 -2.13 -4.23 -1.26 -1.38 115.64 109.12 2uuu s THR 189 Ca 0.79 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 60.52 2uuu s THR 189 Cb -0.66 -1.25 -0.01 0.00 1.34 0.00 0.00 72.50 71.92 2uuu s THR 189 CO 0.38 0.42 -0.19 -0.69 -0.54 0.00 0.00 174.62 174.01 2uuu s VAL 190 N -0.36 2.54 -0.28 2.29 1.01 -0.08 -0.58 120.40 124.94 2uuu s VAL 190 Ca 0.05 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.98 2uuu s VAL 190 Cb -0.08 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 2uuu s VAL 190 CO -0.00 0.54 0.64 -0.55 0.00 0.00 0.00 175.10 175.73 2uuu s SER 191 N 0.38 6.56 -0.61 3.32 0.15 -0.15 -0.93 113.70 122.41 2uuu s SER 191 Ca -0.14 0.61 -0.20 0.00 0.70 0.00 0.00 55.95 56.92 2uuu s SER 191 Cb -0.17 -2.34 0.09 0.00 -1.71 0.00 0.00 66.02 61.89 2uuu s SER 191 CO 0.07 -0.43 0.78 -0.63 1.20 0.00 0.00 173.24 174.23 2uuu s ILE 192 N 2.57 4.68 -0.40 6.45 1.01 -0.15 -1.17 121.20 134.18 2uuu s ILE 192 Ca 0.26 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 2uuu s ILE 192 Cb -0.15 -4.54 0.02 0.00 0.01 0.00 0.00 42.46 37.79 2uuu s ILE 192 CO 0.10 -1.22 0.92 -0.62 0.00 0.00 0.00 174.94 174.12 2uuu s ASP 193 N 3.62 6.60 0.00 3.58 -1.08 -0.60 -0.43 116.67 128.36 2uuu s ASP 193 Ca 0.15 0.38 0.31 0.00 -0.52 0.00 0.00 52.55 52.87 2uuu s ASP 193 Cb -0.22 -2.45 1.60 0.00 -1.46 0.00 0.00 42.92 40.39 2uuu s ASP 193 CO 0.08 -0.92 2.06 0.23 0.52 0.00 0.00 175.17 177.13 2uuu n MET 194 N 6.90 1.18 0.06 4.34 2.81 -0.43 -4.14 117.12 127.83 2uuu n MET 194 Ca 0.06 -0.31 0.11 0.00 -1.81 0.00 0.00 57.70 55.76 2uuu n MET 194 Cb 0.48 -1.49 0.45 0.00 -0.71 0.00 0.00 33.22 31.95 2uuu n MET 194 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2uuu n ARG 195 N -0.64 0.11 0.08 0.03 1.74 -1.26 -1.22 116.66 115.49 2uuu n ARG 195 Ca 0.22 0.23 0.13 0.00 -0.77 0.00 0.00 57.85 57.65 2uuu n ARG 195 Cb 0.20 -1.66 0.46 0.00 -1.02 0.00 0.00 32.46 30.44 2uuu n ARG 195 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2uuu n ARG 196 N -1.86 0.18 -3.07 5.56 1.74 -1.26 -4.34 116.66 113.60 2uuu n ARG 196 Ca 0.04 0.19 -0.45 0.00 -0.77 0.00 0.00 57.85 56.87 2uuu n ARG 196 Cb 0.28 -1.73 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 2uuu n ARG 196 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 2uuu s MET 197 N -3.10 3.91 -0.06 5.56 -1.94 -0.35 -4.80 119.30 118.52 2uuu s MET 197 Ca 0.10 -2.47 0.21 0.00 -1.71 0.00 0.00 55.69 51.82 2uuu s MET 197 Cb 0.13 -4.83 0.41 0.00 2.01 0.00 0.00 34.83 32.55 2uuu s MET 197 CO 0.54 -1.60 1.18 0.27 -0.01 0.00 0.00 175.02 175.40 2uuu n ASN 198 N 5.07 1.18 -4.53 3.03 2.04 -1.26 -1.43 115.26 119.35 2uuu n ASN 198 Ca 0.27 -2.55 -0.33 0.00 -0.44 0.00 0.00 54.58 51.54 2uuu n ASN 198 Cb 0.44 -0.36 -0.12 0.00 -2.53 0.00 0.00 39.78 37.21 2uuu n ASN 198 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 2uuu s LYS 199 N -0.95 2.52 -0.21 -3.83 1.02 -1.26 -4.68 119.74 112.34 2uuu s LYS 199 Ca 0.34 -0.70 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 2uuu s LYS 199 Cb 0.37 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 35.24 2uuu s LYS 199 CO -0.13 0.62 1.21 0.08 -0.92 0.00 0.00 175.35 176.21 2uuu s VAL 200 N -0.85 4.36 0.01 3.17 1.01 -1.26 -1.20 120.40 125.63 2uuu s VAL 200 Ca 0.14 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 2uuu s VAL 200 Cb -0.11 -4.12 -0.34 0.00 0.00 0.00 0.00 36.38 31.81 2uuu s VAL 200 CO 0.03 -0.22 0.97 -0.07 0.00 0.00 0.00 175.10 175.81 2uuu h LEU 201 N 9.88 0.73 -7.01 3.92 3.38 -0.51 -3.48 115.31 122.22 2uuu h LEU 201 Ca -0.24 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.80 2uuu h LEU 201 Cb 1.09 -0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.48 2uuu h LEU 201 CO 0.99 1.61 0.26 -1.66 0.09 0.00 0.00 178.44 179.73 2uuu s TRP 202 N -2.56 -0.50 -0.09 1.13 1.48 -1.10 -4.99 118.94 112.31 2uuu s TRP 202 Ca -0.10 0.30 0.03 0.00 -1.06 0.00 0.00 56.10 55.27 2uuu s TRP 202 Cb 0.03 0.56 0.01 0.00 -1.16 0.00 0.00 33.47 32.91 2uuu s TRP 202 CO 0.91 -0.80 -0.18 0.08 -4.06 0.00 0.00 176.95 172.91 2uuu s VAL 203 N -3.64 1.59 -0.41 -0.66 1.01 -1.26 -1.33 120.40 115.70 2uuu s VAL 203 Ca 0.02 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 2uuu s VAL 203 Cb -0.01 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 35.02 2uuu s VAL 203 CO -0.12 0.46 0.25 -0.62 0.00 0.00 0.00 175.10 175.06 2uuu s ASP 204 N 0.57 5.73 0.26 3.32 -1.08 0.48 -4.95 116.67 121.00 2uuu s ASP 204 Ca -0.15 -1.27 0.24 0.00 -0.52 0.00 0.00 52.55 50.85 2uuu s ASP 204 Cb -0.17 -2.02 0.45 0.00 -1.46 0.00 0.00 42.92 39.72 2uuu s ASP 204 CO 0.05 -0.49 1.52 0.03 0.52 0.00 0.00 175.17 176.81 2uuu h ARG 205 N 8.46 0.00 -0.04 4.34 3.08 -1.97 0.16 114.38 128.40 2uuu h ARG 205 Ca -0.25 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 2uuu h ARG 205 Cb 1.09 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.15 2uuu h ARG 205 CO 0.73 0.00 -0.39 0.00 -1.07 0.00 0.00 179.97 179.25 2uuu h ARG 206 N 0.00 0.33 0.00 0.04 3.08 -1.96 -3.32 114.38 112.54 2uuu h ARG 206 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2uuu h ARG 206 Cb 0.86 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2uuu h ARG 206 CO 0.00 0.97 0.00 0.93 -1.07 0.00 0.00 179.97 180.80 2uuu h GLU 207 N -0.21 0.00 -5.81 0.04 4.39 -1.98 -3.48 114.58 107.53 2uuu h GLU 207 Ca -0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.32 2uuu h GLU 207 Cb 1.08 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.86 2uuu h GLU 207 CO 0.08 0.00 -0.86 -1.33 -1.16 0.00 0.00 179.01 175.74 2uuu n MET 208 N -2.89 -3.11 -4.09 2.33 2.81 0.51 -4.94 117.12 107.75 2uuu n MET 208 Ca 0.04 0.71 -0.09 0.00 -1.81 0.00 0.00 57.70 56.55 2uuu n MET 208 Cb 0.50 -5.26 -0.10 0.00 -0.71 0.00 0.00 33.22 27.65 2uuu n MET 208 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2uuu s THR 209 N -3.47 0.35 -0.08 2.03 -4.23 -1.00 -1.35 115.64 107.88 2uuu s THR 209 Ca 0.31 -1.60 -0.07 0.00 -1.18 0.00 0.00 61.69 59.14 2uuu s THR 209 Cb -0.07 -1.24 0.02 0.00 1.34 0.00 0.00 72.50 72.56 2uuu s THR 209 CO 0.79 -0.81 0.22 0.00 -0.54 0.00 0.00 174.62 174.27 2uuu s ALA 210 N -3.14 -0.53 -0.26 3.99 0.00 -0.42 -0.39 121.76 121.02 2uuu s ALA 210 Ca 0.02 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 2uuu s ALA 210 Cb 0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2uuu s ALA 210 CO -0.06 -0.12 0.31 0.00 0.00 0.00 0.00 175.76 175.89 2uuu s ILE 212 N 1.74 0.83 0.10 0.00 1.01 -0.13 0.31 121.20 125.05 2uuu s ILE 212 Ca 0.13 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 2uuu s ILE 212 Cb -0.15 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 2uuu s ILE 212 CO 0.09 0.27 1.47 -1.10 0.00 0.00 0.00 174.94 175.68 2uuu s GLN 213 N 0.49 4.27 0.00 2.79 -0.21 -0.34 -1.59 119.66 125.08 2uuu s GLN 213 Ca -0.08 2.16 0.29 0.00 0.02 0.00 0.00 55.36 57.75 2uuu s GLN 213 Cb -0.12 -3.34 1.32 0.00 1.00 0.00 0.00 33.01 31.86 2uuu s GLN 213 CO 0.01 -0.55 1.94 1.33 -2.12 0.00 0.00 175.29 175.90 2uuu n VAL 214 N 4.21 0.00 1.11 1.09 0.24 -0.55 -2.65 118.33 121.77 2uuu n VAL 214 Ca 0.13 -0.01 0.10 0.00 -2.04 0.00 0.00 64.34 62.52 2uuu n VAL 214 Cb 0.41 -0.36 0.56 0.00 -1.47 0.00 0.00 33.84 32.99 2uuu n VAL 214 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuu n GLY 215 N 1.35 -0.86 3.77 7.63 0.00 -0.52 -0.57 105.19 116.00 2uuu n GLY 215 Ca 0.12 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2uuu n GLY 215 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2uuu s ILE 216 N -2.36 2.09 0.40 -0.61 2.07 -1.05 -4.31 121.20 117.43 2uuu s ILE 216 Ca 0.24 0.08 -0.19 0.00 -1.41 0.00 0.00 60.65 59.37 2uuu s ILE 216 Cb 0.14 -3.05 -0.10 0.00 0.13 0.00 0.00 42.46 39.58 2uuu s ILE 216 CO 0.29 0.02 0.89 -0.04 -1.91 0.00 0.00 174.94 174.19 2uuu s MET 217 N -1.40 4.15 0.15 3.50 -1.94 -1.26 -2.34 119.30 120.15 2uuu s MET 217 Ca 0.57 0.98 -0.32 0.00 -1.71 0.00 0.00 55.69 55.21 2uuu s MET 217 Cb -0.47 -2.25 -0.09 0.00 2.01 0.00 0.00 34.83 34.03 2uuu s MET 217 CO 0.56 0.01 1.54 0.78 -0.01 0.00 0.00 175.02 177.91 2uuu h GLY 218 N 1.97 -0.91 1.02 -0.03 0.00 -1.17 -0.40 103.07 103.55 2uuu h GLY 218 Ca -0.49 0.76 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2uuu h GLY 218 CO 0.62 -0.03 0.52 -2.55 0.00 0.00 0.00 176.54 175.11 2uuu h PRO 219 N -0.18 1.22 -0.79 4.80 0.11 -1.80 -1.61 132.00 133.74 2uuu h PRO 219 Ca 0.12 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 66.15 2uuu h PRO 219 Cb 0.49 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.30 2uuu h PRO 219 CO -0.79 0.86 0.50 1.49 -0.21 0.00 0.00 178.00 179.86 2uuu h GLU 220 N 1.23 0.94 -0.34 1.05 4.57 -1.86 -0.17 114.58 120.00 2uuu h GLU 220 Ca 0.32 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2uuu h GLU 220 Cb -0.03 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.33 2uuu h GLU 220 CO -0.06 0.62 0.22 1.25 -1.18 0.00 0.00 179.01 179.86 2uuu h LEU 221 N 0.97 0.39 -0.72 1.64 6.46 -0.66 -1.32 115.31 122.07 2uuu h LEU 221 Ca 0.32 -0.02 -0.12 0.00 -0.12 0.00 0.00 57.88 57.94 2uuu h LEU 221 Cb 0.04 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2uuu h LEU 221 CO -0.12 0.30 -0.58 -0.33 -0.62 0.00 0.00 178.44 177.09 2uuu h GLU 222 N 0.45 0.00 -0.02 1.25 4.39 -0.89 -1.36 114.58 118.40 2uuu h GLU 222 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2uuu h GLU 222 Cb -0.04 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 2uuu h GLU 222 CO -0.03 0.58 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.18 2uuu h LYS 223 N 0.00 0.03 -0.40 2.33 3.64 -0.90 -1.15 116.57 120.12 2uuu h LYS 223 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2uuu h LYS 223 Cb 1.11 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2uuu h LYS 223 CO 0.08 0.38 0.14 1.96 -2.27 0.00 0.00 179.45 179.74 2uuu h GLN 224 N -0.31 0.61 -0.69 1.90 4.20 -1.12 -2.71 115.11 116.98 2uuu h GLN 224 Ca 0.00 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2uuu h GLN 224 Cb 0.37 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2uuu h GLN 224 CO 0.00 0.59 0.45 -0.07 -0.67 0.00 0.00 178.83 179.13 2uuu h LEU 225 N 0.50 0.77 -1.42 1.46 3.38 -1.29 -2.98 115.31 115.72 2uuu h LEU 225 Ca 0.13 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2uuu h LEU 225 Cb 0.22 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2uuu h LEU 225 CO -0.01 0.55 0.45 -0.74 0.09 0.00 0.00 178.44 178.79 2uuu h HIS 226 N 0.91 0.71 -0.39 1.13 2.76 -0.94 -0.64 115.15 118.69 2uuu h HIS 226 Ca 0.26 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.56 2uuu h HIS 226 Cb -0.08 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.63 2uuu h HIS 226 CO -0.03 0.37 0.28 0.87 -1.30 0.00 0.00 177.93 178.13 2uuu h LYS 227 N 0.70 0.00 -0.43 5.26 1.57 -1.33 -0.30 116.57 122.05 2uuu h LYS 227 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2uuu h LYS 227 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2uuu h LYS 227 CO -0.10 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.82 2uuu n GLN 228 N -4.41 3.78 -1.43 3.15 6.02 -0.30 -4.96 117.38 119.22 2uuu n GLN 228 Ca 0.06 -2.94 -0.08 0.00 -0.01 0.00 0.00 57.00 54.04 2uuu n GLN 228 Cb 0.47 -1.99 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 2uuu n GLN 228 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uuu n GLY 229 N 0.14 0.77 3.41 1.08 0.00 -0.12 -5.02 105.19 105.45 2uuu n GLY 229 Ca 0.24 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2uuu n GLY 229 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uuu s VAL 230 N -2.31 0.48 0.05 1.61 -7.23 -0.88 -1.90 120.40 110.22 2uuu s VAL 230 Ca 0.00 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 2uuu s VAL 230 Cb 0.00 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.50 2uuu s VAL 230 CO 0.00 0.00 0.35 -0.55 -0.31 0.00 0.00 175.10 174.59 2uuu s SER 231 N -3.48 -0.19 -0.21 4.85 0.15 0.48 -2.59 113.70 112.71 2uuu s SER 231 Ca 0.31 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.64 2uuu s SER 231 Cb 0.04 0.39 -0.17 0.00 -1.71 0.00 0.00 66.02 64.56 2uuu s SER 231 CO 0.17 -0.64 0.13 -0.11 1.20 0.00 0.00 173.24 173.99 2uuu n LEU 232 N 0.52 1.87 0.00 3.45 7.94 -1.26 -1.12 117.00 128.40 2uuu n LEU 232 Ca -0.18 0.42 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2uuu n LEU 232 Cb 0.60 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.60 2uuu n LEU 232 CO 0.21 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 2uuu n GLY 233 N 1.42 0.69 3.65 -3.96 0.00 -1.26 -4.80 105.19 100.93 2uuu n GLY 233 Ca -0.33 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2uuu n GLY 233 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2uuu s HIS 234 N -2.00 3.34 -0.41 1.61 5.04 -1.26 -4.54 115.29 117.07 2uuu s HIS 234 Ca 0.00 0.79 0.08 0.00 -1.54 0.00 0.00 55.06 54.38 2uuu s HIS 234 Cb 0.00 -2.73 0.25 0.00 0.04 0.00 0.00 32.58 30.13 2uuu s HIS 234 CO 0.00 -0.19 0.53 -3.47 -2.34 0.00 0.00 174.74 169.27 2uuu n ASP 235 N 5.14 0.41 -4.65 9.88 2.03 -1.26 -5.00 116.55 123.10 2uuu n ASP 235 Ca -0.03 -2.73 -0.30 0.00 0.52 0.00 0.00 54.79 52.25 2uuu n ASP 235 Cb 0.50 -0.64 0.17 0.00 -0.72 0.00 0.00 41.12 40.43 2uuu n ASP 235 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2uuu s PRO 236 N -1.21 0.63 0.54 -0.67 0.04 -1.24 -1.68 135.00 131.42 2uuu s PRO 236 Ca 0.35 0.97 0.33 0.00 0.04 0.00 0.00 61.00 62.69 2uuu s PRO 236 Cb 0.16 -1.73 1.39 0.00 0.04 0.00 0.00 34.50 34.36 2uuu s PRO 236 CO -0.11 -2.71 2.00 -0.44 0.04 0.00 0.00 177.00 175.78 2uuu h ASP 237 N -1.90 0.00 -0.28 6.66 5.19 -1.97 -1.36 116.42 122.77 2uuu h ASP 237 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2uuu h ASP 237 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 2uuu h ASP 237 CO 0.51 0.04 0.00 -1.54 -3.12 0.00 0.00 179.24 175.12 2uuu n SER 238 N -3.16 2.28 -0.33 6.45 3.41 -1.26 -4.56 113.62 116.45 2uuu n SER 238 Ca 0.00 -2.18 0.23 0.00 -0.26 0.00 0.00 58.87 56.66 2uuu n SER 238 Cb 0.30 -0.38 0.45 0.00 -0.26 0.00 0.00 64.21 64.33 2uuu n SER 238 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2uuu h PHE 239 N 1.77 0.79 -0.06 7.33 3.57 -1.59 -1.80 116.94 126.95 2uuu h PHE 239 Ca 0.00 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2uuu h PHE 239 Cb 0.74 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2uuu h PHE 239 CO 0.32 -0.23 -0.39 0.93 -2.23 0.00 0.00 178.31 176.71 2uuu h GLU 240 N 0.25 0.12 -0.32 1.11 5.08 -1.86 -3.26 114.58 115.71 2uuu h GLU 240 Ca 0.71 -0.05 -0.25 0.00 -1.00 0.00 0.00 59.36 58.77 2uuu h GLU 240 Cb 1.64 -0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.56 2uuu h GLU 240 CO -0.65 0.50 -0.89 1.19 -1.00 0.00 0.00 179.01 178.16 2uuu n PHE 241 N -4.05 1.07 -4.29 4.33 3.72 -0.69 -4.56 117.46 112.98 2uuu n PHE 241 Ca -0.02 -1.63 -0.15 0.00 -0.05 0.00 0.00 57.45 55.60 2uuu n PHE 241 Cb 0.45 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.64 2uuu n PHE 241 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2uuu s SER 242 N -3.20 1.22 0.21 4.37 1.04 -1.11 -4.46 113.70 111.77 2uuu s SER 242 Ca 0.37 -1.30 0.11 0.00 0.48 0.00 0.00 55.95 55.60 2uuu s SER 242 Cb 0.37 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 2uuu s SER 242 CO -0.06 -0.67 -0.17 0.42 0.98 0.00 0.00 173.24 173.75 2uuu s THR 243 N -3.71 2.71 0.25 2.02 -4.23 -1.26 -1.12 115.64 110.29 2uuu s THR 243 Ca 0.33 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.80 2uuu s THR 243 Cb 0.07 -2.35 0.23 0.00 1.34 0.00 0.00 72.50 71.79 2uuu s THR 243 CO 0.10 -0.20 1.70 0.25 -0.54 0.00 0.00 174.62 175.93 2uuu h LEU 244 N 2.81 0.13 -0.83 4.79 5.85 -1.47 -0.87 115.31 125.71 2uuu h LEU 244 Ca -0.45 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 2uuu h LEU 244 Cb 1.22 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2uuu h LEU 244 CO 0.53 0.01 0.27 1.23 -0.34 0.00 0.00 178.44 180.14 2uuu h GLY 245 N 0.34 1.22 0.95 3.75 0.00 -1.12 -0.96 103.07 107.24 2uuu h GLY 245 Ca 0.42 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2uuu h GLY 245 CO -0.47 0.64 0.17 -1.33 0.00 0.00 0.00 176.54 175.55 2uuu h GLY 246 N 1.13 0.60 0.92 4.60 0.00 -1.73 -0.75 103.07 107.84 2uuu h GLY 246 Ca 0.25 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2uuu h GLY 246 CO -0.01 0.29 0.58 1.49 0.00 0.00 0.00 176.54 178.89 2uuu h TRP 247 N 0.47 1.09 -0.26 5.60 6.55 -0.42 0.01 115.95 129.00 2uuu h TRP 247 Ca 0.13 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.92 2uuu h TRP 247 Cb 0.15 -0.37 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 2uuu h TRP 247 CO -0.01 0.65 -0.14 -0.07 -1.05 0.00 0.00 178.44 177.82 2uuu h LEU 248 N 1.15 0.57 -1.12 -4.49 3.38 -1.13 -0.28 115.31 113.39 2uuu h LEU 248 Ca 0.35 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2uuu h LEU 248 Cb -0.05 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2uuu h LEU 248 CO -0.10 0.86 -0.01 0.00 0.09 0.00 0.00 178.44 179.28 2uuu h ALA 249 N 0.73 1.00 -0.01 1.53 0.00 -0.71 -1.79 119.26 120.01 2uuu h ALA 249 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2uuu h ALA 249 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2uuu h ALA 249 CO 0.04 0.02 -0.19 0.25 0.00 0.00 0.00 179.25 179.37 2uuu n THR 250 N -3.11 0.00 -4.04 0.00 -2.24 -0.05 -1.26 114.28 103.59 2uuu n THR 250 Ca 0.01 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 2uuu n THR 250 Cb 0.36 1.20 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 2uuu n THR 250 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2uuu s SER 252 N -3.79 5.77 0.44 0.00 1.04 -0.99 -4.98 113.70 111.19 2uuu s SER 252 Ca 0.40 2.17 -0.22 0.00 0.48 0.00 0.00 55.95 58.77 2uuu s SER 252 Cb -0.22 -2.58 -0.09 0.00 0.10 0.00 0.00 66.02 63.23 2uuu s SER 252 CO 0.82 -1.19 1.06 -0.94 0.98 0.00 0.00 173.24 173.97 2uuu s SER 253 N -1.77 6.51 0.12 7.02 1.04 -1.26 -4.55 113.70 120.81 2uuu s SER 253 Ca 0.72 2.02 0.08 0.00 0.48 0.00 0.00 55.95 59.25 2uuu s SER 253 Cb -0.24 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 2uuu s SER 253 CO 0.27 -0.66 -0.20 -0.83 0.98 0.00 0.00 173.24 172.80 2uuu s GLY 254 N -1.72 1.25 -0.08 7.32 0.00 -1.26 -3.67 107.32 109.16 2uuu s GLY 254 Ca 0.63 -1.29 0.18 0.00 0.00 0.00 0.00 44.72 44.23 2uuu s GLY 254 CO 0.25 -1.31 1.55 1.42 0.00 0.00 0.00 173.10 175.01 2uuu n HIS 255 N 0.89 1.26 -1.20 1.90 8.25 -0.68 -2.98 115.22 122.66 2uuu n HIS 255 Ca -0.18 -0.53 0.09 0.00 -0.26 0.00 0.00 57.72 56.84 2uuu n HIS 255 Cb 0.55 -0.17 0.16 0.00 1.12 0.00 0.00 29.99 31.65 2uuu n HIS 255 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2uuu n GLN 256 N 1.16 1.40 0.26 -0.41 6.02 -1.26 -4.51 117.38 120.04 2uuu n GLN 256 Ca 0.24 -2.77 0.13 0.00 -0.01 0.00 0.00 57.00 54.59 2uuu n GLN 256 Cb 0.76 -1.54 0.66 0.00 1.02 0.00 0.00 30.24 31.14 2uuu n GLN 256 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2uuu h SER 257 N 0.29 0.00 0.36 1.08 4.64 -1.75 -1.33 113.55 116.84 2uuu h SER 257 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uuu h SER 257 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2uuu h SER 257 CO 0.01 0.13 0.00 0.47 -0.87 0.00 0.00 176.83 176.57 2uuu n ASP 258 N -3.42 0.53 -0.04 4.97 8.00 -1.26 -1.69 116.55 123.64 2uuu n ASP 258 Ca -0.01 0.68 -0.08 0.00 0.71 0.00 0.00 54.79 56.10 2uuu n ASP 258 Cb 0.31 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.60 2uuu n ASP 258 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2uuu n LYS 259 N -2.15 0.16 0.00 -1.24 3.00 -0.67 -4.85 118.16 112.40 2uuu n LYS 259 Ca 0.01 0.07 0.11 0.00 -0.00 0.00 0.00 58.31 58.49 2uuu n LYS 259 Cb 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 35.03 34.35 2uuu n LYS 259 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2uuu n TYR 260 N -3.30 0.00 0.00 5.64 4.01 -0.59 -5.07 117.16 117.84 2uuu n TYR 260 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2uuu n TYR 260 Cb 0.61 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2uuu n TYR 260 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2uuu n GLY 261 N 1.49 1.28 3.82 2.72 0.00 -0.68 -4.74 105.19 109.08 2uuu n GLY 261 Ca 0.05 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 2uuu n GLY 261 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uuu s ASP 262 N -0.09 5.06 0.35 1.61 1.01 -1.26 -4.45 116.67 118.91 2uuu s ASP 262 Ca 0.00 1.40 0.06 0.00 0.71 0.00 0.00 52.55 54.73 2uuu s ASP 262 Cb 0.00 -2.22 0.74 0.00 1.01 0.00 0.00 42.92 42.45 2uuu s ASP 262 CO 0.00 -1.62 1.92 -0.29 0.21 0.00 0.00 175.17 175.39 2uuu h ILE 263 N -0.84 0.96 -0.06 0.77 6.09 -1.94 -1.49 117.51 121.00 2uuu h ILE 263 Ca -0.45 -0.26 -0.09 0.00 -1.37 0.00 0.00 64.86 62.68 2uuu h ILE 263 Cb 1.24 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2uuu h ILE 263 CO 0.59 0.14 -0.38 1.05 -3.07 0.00 0.00 178.15 176.48 2uuu h GLU 264 N 0.77 0.13 -0.28 2.19 9.09 -1.93 -1.10 114.58 123.45 2uuu h GLU 264 Ca 0.37 -0.05 -0.18 0.00 0.05 0.00 0.00 59.36 59.55 2uuu h GLU 264 Cb 0.42 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.51 2uuu h GLU 264 CO -0.14 0.50 -0.53 -0.44 0.05 0.00 0.00 179.01 178.44 2uuu h ASP 265 N 0.11 0.92 0.33 3.06 3.32 -1.68 -3.27 116.42 119.21 2uuu h ASP 265 Ca 0.01 -0.49 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2uuu h ASP 265 Cb 0.73 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 2uuu h ASP 265 CO 0.06 1.27 -0.37 0.24 -1.72 0.00 0.00 179.24 178.71 2uuu h MET 266 N 0.64 0.06 -6.36 3.56 2.86 -0.90 -3.43 114.93 111.37 2uuu h MET 266 Ca 0.02 -0.03 -0.57 0.00 -2.06 0.00 0.00 59.70 57.06 2uuu h MET 266 Cb 1.13 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 2uuu h MET 266 CO 0.12 0.43 1.07 0.00 1.06 0.00 0.00 176.91 179.59 2uuu s ALA 267 N -4.19 3.22 -0.14 6.32 0.00 -0.45 -0.45 121.76 126.07 2uuu s ALA 267 Ca -0.03 0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 2uuu s ALA 267 Cb 0.14 -3.86 -0.25 0.00 0.00 0.00 0.00 23.12 19.15 2uuu s ALA 267 CO 0.74 -2.04 0.59 0.28 0.00 0.00 0.00 175.76 175.33 2uuu h VAL 268 N 6.20 1.36 -2.91 0.00 2.07 -0.87 -3.48 116.25 118.61 2uuu h VAL 268 Ca -0.30 -2.34 0.08 0.00 0.82 0.00 0.00 66.70 64.96 2uuu h VAL 268 Cb 1.12 2.91 -0.06 0.00 -1.52 0.00 0.00 31.29 33.74 2uuu h VAL 268 CO 1.03 0.56 0.26 -0.94 0.02 0.00 0.00 177.57 178.51 2uuu s SER 269 N -6.67 -0.28 0.12 0.57 1.04 -1.09 -4.76 113.70 102.64 2uuu s SER 269 Ca -0.21 -0.53 -0.25 0.00 0.48 0.00 0.00 55.95 55.44 2uuu s SER 269 Cb 0.01 0.69 0.07 0.00 0.10 0.00 0.00 66.02 66.89 2uuu s SER 269 CO 0.70 -1.26 0.87 0.72 0.98 0.00 0.00 173.24 175.26 2uuu s PHE 270 N -3.82 -0.24 -0.14 5.02 -0.12 -1.26 -0.72 117.98 116.70 2uuu s PHE 270 Ca 0.10 -0.03 -0.04 0.00 -0.05 0.00 0.00 56.93 56.92 2uuu s PHE 270 Cb -0.05 0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 42.92 2uuu s PHE 270 CO 0.05 -0.80 -0.01 1.03 -0.05 0.00 0.00 175.22 175.44 2uuu s ARG 271 N -3.36 3.58 -0.16 1.99 0.52 -0.70 -3.41 118.95 117.41 2uuu s ARG 271 Ca 0.09 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2uuu s ARG 271 Cb -0.02 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.54 2uuu s ARG 271 CO -0.02 0.35 -0.15 0.99 0.02 0.00 0.00 175.30 176.49 2uuu s THR 272 N 0.09 1.68 -0.24 0.02 2.01 -0.66 -1.51 115.64 117.02 2uuu s THR 272 Ca 0.01 -0.74 -0.18 0.00 0.31 0.00 0.00 61.69 61.09 2uuu s THR 272 Cb -0.13 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2uuu s THR 272 CO 0.02 0.44 0.53 -0.69 -0.69 0.00 0.00 174.62 174.23 2uuu s VAL 273 N 1.44 5.07 0.31 3.82 1.01 0.99 -0.20 120.40 132.84 2uuu s VAL 273 Ca 0.04 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.05 2uuu s VAL 273 Cb -0.13 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2uuu s VAL 273 CO -0.11 0.10 -0.12 0.42 0.00 0.00 0.00 175.10 175.40 2uuu s THR 274 N 2.15 2.16 0.51 3.92 -4.23 -0.50 -0.70 115.64 118.96 2uuu s THR 274 Ca 0.22 -2.24 0.41 0.00 -1.18 0.00 0.00 61.69 58.91 2uuu s THR 274 Cb -0.16 -2.49 0.42 0.00 1.34 0.00 0.00 72.50 71.61 2uuu s THR 274 CO 0.09 -0.29 2.26 -0.65 -0.54 0.00 0.00 174.62 175.49 2uuu h PRO 275 N 2.16 0.00 -0.43 3.99 0.11 -1.88 -2.21 132.00 133.75 2uuu h PRO 275 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2uuu h PRO 275 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2uuu h PRO 275 CO 0.67 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.71 2uuu n THR 276 N -2.97 1.96 0.00 -1.15 -2.24 -1.18 -4.91 114.28 103.78 2uuu n THR 276 Ca -0.03 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2uuu n THR 276 Cb 0.08 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2uuu n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2uuu n GLY 277 N 0.31 2.74 3.72 3.38 0.00 -0.83 -5.06 105.19 109.45 2uuu n GLY 277 Ca 0.21 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.81 2uuu n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uuu s THR 278 N -2.00 5.10 -0.27 2.61 2.01 -1.26 -1.40 115.64 120.43 2uuu s THR 278 Ca 0.00 1.24 -0.13 0.00 0.31 0.00 0.00 61.69 63.12 2uuu s THR 278 Cb 0.00 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2uuu s THR 278 CO 0.00 0.28 0.27 -0.76 -0.69 0.00 0.00 174.62 173.72 2uuu s LEU 279 N 0.77 4.04 0.06 4.42 1.43 0.73 -4.97 118.68 125.16 2uuu s LEU 279 Ca 0.33 0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 2uuu s LEU 279 Cb -0.17 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.75 2uuu s LEU 279 CO 0.15 -0.10 0.17 -1.61 0.23 0.00 0.00 176.35 175.18 2uuu s GLU 280 N 1.83 3.26 0.16 1.70 0.41 -1.26 -1.66 118.70 123.14 2uuu s GLU 280 Ca 0.11 -0.51 0.10 0.00 -0.41 0.00 0.00 54.97 54.25 2uuu s GLU 280 Cb -0.16 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 2uuu s GLU 280 CO 0.10 0.60 -0.21 -0.51 -0.49 0.00 0.00 175.26 174.75 2uuu s LEU 281 N -2.44 2.41 0.11 1.80 1.43 -1.22 -5.04 118.68 115.73 2uuu s LEU 281 Ca 0.33 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2uuu s LEU 281 Cb -0.13 -0.99 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 2uuu s LEU 281 CO 0.26 0.05 0.47 -0.13 0.23 0.00 0.00 176.35 177.23 2uuu s ARG 282 N -2.57 3.86 -0.02 1.70 0.52 -1.26 -4.71 118.95 116.47 2uuu s ARG 282 Ca 0.16 0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 55.66 2uuu s ARG 282 Cb -0.07 -2.97 -0.15 0.00 0.52 0.00 0.00 34.95 32.28 2uuu s ARG 282 CO 0.07 0.52 2.28 0.09 0.02 0.00 0.00 175.30 178.29 2uuu n ASN 283 N 0.87 3.03 0.00 0.23 5.03 -1.26 -4.64 115.26 118.52 2uuu n ASN 283 Ca -0.07 -2.06 0.00 0.00 0.87 0.00 0.00 54.58 53.32 2uuu n ASN 283 Cb 0.52 -0.81 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 2uuu n ASN 283 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2uuu n GLY 288 N 2.74 1.53 3.83 7.41 0.00 -1.26 -5.00 105.19 114.44 2uuu n GLY 288 Ca 0.25 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 2uuu n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuu s ALA 289 N -2.19 1.91 0.00 4.61 0.00 -1.26 -4.90 121.76 119.93 2uuu s ALA 289 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2uuu s ALA 289 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.22 2uuu s ALA 289 CO 0.00 -2.45 0.00 0.41 0.00 0.00 0.00 175.76 173.72 2uuu n GLY 290 N -2.78 -1.03 3.74 0.00 0.00 -1.26 -4.92 105.19 98.94 2uuu n GLY 290 Ca 0.11 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 2uuu n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 291 N -2.51 3.68 -0.95 -0.61 -1.09 -1.26 -4.97 121.20 113.49 2uuu s ILE 291 Ca 0.00 1.42 -0.23 0.00 -2.23 0.00 0.00 60.65 59.62 2uuu s ILE 291 Cb 0.00 -3.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.04 2uuu s ILE 291 CO 0.00 0.23 1.34 0.21 -1.23 0.00 0.00 174.94 175.49 2uuu s ASN 292 N 0.05 6.47 0.58 3.58 3.84 -1.26 -4.89 114.94 123.30 2uuu s ASN 292 Ca 0.52 -1.43 0.32 0.00 0.21 0.00 0.00 52.86 52.48 2uuu s ASN 292 Cb -0.31 -2.53 1.79 0.00 -0.55 0.00 0.00 41.25 39.65 2uuu s ASN 292 CO 0.36 -1.46 2.20 1.88 -2.79 0.00 0.00 177.10 177.30 2uuu h TYR 293 N 9.62 0.00 -0.41 0.43 -1.99 -2.01 -2.53 116.97 120.07 2uuu h TYR 293 Ca 0.11 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.90 2uuu h TYR 293 Cb 1.02 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 2uuu h TYR 293 CO 1.22 0.04 0.28 1.57 -0.00 0.00 0.00 178.16 181.27 2uuu h LYS 294 N 0.00 0.30 0.00 4.88 2.10 -1.97 -0.56 116.57 121.32 2uuu h LYS 294 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2uuu h LYS 294 Cb 0.15 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2uuu h LYS 294 CO 0.01 0.20 0.00 0.72 -2.00 0.00 0.00 179.45 178.37 2uuu n HIS 295 N -4.48 0.67 -0.06 0.07 8.25 -0.95 -1.29 115.22 117.44 2uuu n HIS 295 Ca 0.05 0.29 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 2uuu n HIS 295 Cb 0.26 -0.96 0.03 0.00 1.12 0.00 0.00 29.99 30.44 2uuu n HIS 295 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2uuu h ILE 296 N 0.00 1.29 0.05 1.59 2.04 -1.30 -3.37 117.51 117.80 2uuu h ILE 296 Ca 0.00 -1.61 -0.35 0.00 1.00 0.00 0.00 64.86 63.90 2uuu h ILE 296 Cb 0.26 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2uuu h ILE 296 CO 0.00 0.52 -2.03 -0.38 0.00 0.00 0.00 178.15 176.26 2uuu n ILE 297 N -4.03 1.63 -1.74 -0.67 2.08 -0.78 -4.66 119.36 111.18 2uuu n ILE 297 Ca -0.02 -0.72 -0.42 0.00 0.56 0.00 0.00 62.75 62.15 2uuu n ILE 297 Cb 0.55 -1.28 -0.03 0.00 -0.75 0.00 0.00 39.64 38.13 2uuu n ILE 297 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2uuu s LEU 298 N -6.44 4.37 0.00 1.39 1.43 -0.41 -1.75 118.68 117.27 2uuu s LEU 298 Ca -0.17 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2uuu s LEU 298 Cb 0.07 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2uuu s LEU 298 CO 0.77 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2uuu n GLY 299 N 3.98 0.81 0.01 -3.19 0.00 -0.68 -4.91 105.19 101.22 2uuu n GLY 299 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 2uuu n GLY 299 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 300 N 0.00 0.03 -3.97 1.61 3.41 -0.72 -4.74 113.62 109.24 2uuu n SER 300 Ca 0.00 -0.17 -0.31 0.00 -0.26 0.00 0.00 58.87 58.13 2uuu n SER 300 Cb 0.00 -0.27 0.02 0.00 -0.26 0.00 0.00 64.21 63.70 2uuu n SER 300 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2uuu n GLU 301 N -1.27 -5.15 -0.92 4.33 1.02 -0.38 -1.82 120.64 116.45 2uuu n GLU 301 Ca 0.14 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.84 2uuu n GLU 301 Cb 0.24 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 2uuu n GLU 301 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2uuu n GLY 302 N -1.64 0.47 0.01 0.62 0.00 -1.26 -4.85 105.19 98.53 2uuu n GLY 302 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 2uuu n GLY 302 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2uuu n THR 303 N -2.37 0.00 -1.23 2.61 -2.24 -0.75 -3.47 114.28 106.83 2uuu n THR 303 Ca 0.00 -0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2uuu n THR 303 Cb 0.10 -0.45 0.07 0.00 -2.10 0.00 0.00 70.33 67.94 2uuu n THR 303 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2uuu n LEU 304 N -1.39 1.41 0.00 3.22 4.77 -1.26 -4.72 117.00 119.03 2uuu n LEU 304 Ca 0.10 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.98 2uuu n LEU 304 Cb 0.30 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2uuu n LEU 304 CO 0.26 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 2uuu n GLY 305 N -0.78 0.25 3.32 -0.72 0.00 -1.25 -4.76 105.19 101.24 2uuu n GLY 305 Ca 0.08 -2.30 -0.34 0.00 0.00 0.00 0.00 46.02 43.46 2uuu n GLY 305 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 306 N -0.87 3.15 0.12 -0.61 -1.09 0.12 -4.50 121.20 117.52 2uuu s ILE 306 Ca 0.00 -0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 2uuu s ILE 306 Cb 0.00 -2.39 -0.06 0.00 -1.58 0.00 0.00 42.46 38.43 2uuu s ILE 306 CO 0.00 0.47 1.00 -0.63 -1.23 0.00 0.00 174.94 174.55 2uuu s ILE 307 N 1.04 4.35 -0.09 2.92 1.01 -1.26 -0.01 121.20 129.17 2uuu s ILE 307 Ca -0.00 1.96 -0.03 0.00 0.00 0.00 0.00 60.65 62.58 2uuu s ILE 307 Cb -0.15 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.03 2uuu s ILE 307 CO -0.01 0.30 -0.10 0.35 0.00 0.00 0.00 174.94 175.48 2uuu n THR 308 N 2.72 0.47 -3.90 2.92 -2.24 -0.57 -4.82 114.28 108.87 2uuu n THR 308 Ca 0.03 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.55 2uuu n THR 308 Cb 0.48 -1.46 -0.14 0.00 -2.10 0.00 0.00 70.33 67.12 2uuu n THR 308 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2uuu s GLU 309 N -2.16 0.04 0.03 -0.78 2.02 -1.26 -1.49 118.70 115.11 2uuu s GLU 309 Ca -0.12 -0.01 0.04 0.00 0.02 0.00 0.00 54.97 54.90 2uuu s GLU 309 Cb 0.04 -0.05 -0.02 0.00 0.10 0.00 0.00 34.13 34.20 2uuu s GLU 309 CO 0.16 0.01 -0.13 0.00 0.02 0.00 0.00 175.26 175.31 2uuu s ALA 310 N 0.03 1.09 -0.27 5.21 0.00 -0.62 -1.71 121.76 125.47 2uuu s ALA 310 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.08 2uuu s ALA 310 Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2uuu s ALA 310 CO -0.00 0.21 0.24 0.08 0.00 0.00 0.00 175.76 176.28 2uuu s VAL 311 N -0.78 5.28 -0.01 0.00 1.01 0.11 -0.96 120.40 125.05 2uuu s VAL 311 Ca 0.01 0.28 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2uuu s VAL 311 Cb -0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2uuu s VAL 311 CO 0.01 0.23 -0.17 -0.04 0.00 0.00 0.00 175.10 175.13 2uuu s MET 312 N 1.81 2.27 0.14 2.72 -1.94 -0.03 -0.23 119.30 124.05 2uuu s MET 312 Ca 0.09 -0.85 -0.30 0.00 -1.71 0.00 0.00 55.69 52.92 2uuu s MET 312 Cb -0.16 -2.26 -0.07 0.00 2.01 0.00 0.00 34.83 34.35 2uuu s MET 312 CO 0.10 0.58 1.23 0.15 -0.01 0.00 0.00 175.02 177.07 2uuu s LYS 313 N -1.03 4.45 0.31 2.03 1.02 0.40 -1.30 119.74 125.62 2uuu s LYS 313 Ca 0.13 1.88 0.07 0.00 0.02 0.00 0.00 55.97 58.07 2uuu s LYS 313 Cb -0.10 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 2uuu s LYS 313 CO 0.03 -0.19 -0.06 0.14 -0.92 0.00 0.00 175.35 174.35 2uuu s VAL 314 N 0.41 1.81 0.16 3.17 -7.23 -0.46 -4.82 120.40 113.43 2uuu s VAL 314 Ca 0.56 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2uuu s VAL 314 Cb -0.32 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.02 2uuu s VAL 314 CO 0.34 -0.24 -0.13 -1.38 -0.31 0.00 0.00 175.10 173.38 2uuu s HIS 315 N -2.90 1.46 0.46 2.82 -3.43 -0.27 -4.67 115.29 108.76 2uuu s HIS 315 Ca 0.31 -0.63 -0.25 0.00 -0.80 0.00 0.00 55.06 53.69 2uuu s HIS 315 Cb 0.04 -0.72 -0.08 0.00 -1.43 0.00 0.00 32.58 30.39 2uuu s HIS 315 CO 0.14 0.19 1.42 0.00 -2.00 0.00 0.00 174.74 174.49 2uuu s ALA 316 N -2.82 3.20 -0.19 -1.38 0.00 -1.26 -0.39 121.76 118.92 2uuu s ALA 316 Ca 0.16 1.45 -0.38 0.00 0.00 0.00 0.00 51.96 53.19 2uuu s ALA 316 Cb -0.01 -3.59 -0.15 0.00 0.00 0.00 0.00 23.12 19.38 2uuu s ALA 316 CO 0.03 -1.21 1.73 0.28 0.00 0.00 0.00 175.76 176.60 2uuu n VAL 317 N -0.27 0.33 -1.97 0.00 0.31 -0.80 -4.72 118.33 111.22 2uuu n VAL 317 Ca 0.06 -0.06 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 2uuu n VAL 317 Cb 0.42 -1.33 0.03 0.00 -0.91 0.00 0.00 33.84 32.05 2uuu n VAL 317 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2uuu s PRO 318 N 3.27 3.04 0.30 5.55 0.04 -1.26 -4.93 135.00 141.01 2uuu s PRO 318 Ca 0.95 1.93 0.13 0.00 0.04 0.00 0.00 61.00 64.05 2uuu s PRO 318 Cb -0.96 -2.04 0.43 0.00 0.04 0.00 0.00 34.50 31.96 2uuu s PRO 318 CO 0.60 -1.18 1.63 -0.56 0.04 0.00 0.00 177.00 177.53 2uuu h GLN 319 N 1.09 0.00 -4.96 4.56 3.07 -1.88 -3.44 115.11 113.56 2uuu h GLN 319 Ca -0.50 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 57.70 2uuu h GLN 319 Cb 1.30 0.00 -0.32 0.00 0.08 0.00 0.00 27.48 28.54 2uuu h GLN 319 CO 0.56 0.55 -0.82 0.00 0.09 0.00 0.00 178.83 179.21 2uuu s ALA 320 N -3.54 1.37 -0.18 0.06 0.00 -0.04 -4.86 121.76 114.58 2uuu s ALA 320 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2uuu s ALA 320 Cb 0.12 -0.51 0.06 0.00 0.00 0.00 0.00 23.12 22.78 2uuu s ALA 320 CO 0.74 0.21 0.03 0.08 0.00 0.00 0.00 175.76 176.82 2uuu s VAL 321 N 0.27 0.49 -0.10 0.00 1.01 -1.26 -1.35 120.40 119.46 2uuu s VAL 321 Ca -0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 2uuu s VAL 321 Cb -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2uuu s VAL 321 CO 0.03 -0.14 -0.08 -1.61 0.00 0.00 0.00 175.10 173.30 2uuu s GLU 322 N 1.88 1.49 -0.05 2.72 2.02 0.37 -4.77 118.70 122.35 2uuu s GLU 322 Ca 0.00 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 54.78 2uuu s GLU 322 Cb -0.16 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 2uuu s GLU 322 CO -0.08 -0.22 -0.20 0.71 0.02 0.00 0.00 175.26 175.50 2uuu s TYR 323 N 1.54 2.56 0.04 1.61 1.51 -1.26 -0.68 117.35 122.67 2uuu s TYR 323 Ca 0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 57.07 55.71 2uuu s TYR 323 Cb -0.13 -1.61 -0.02 0.00 -0.11 0.00 0.00 41.96 40.09 2uuu s TYR 323 CO -0.06 0.00 -0.10 0.71 -1.11 0.00 0.00 175.55 174.99 2uuu s TYR 324 N -0.47 0.87 0.08 2.71 2.02 0.02 -4.05 117.35 118.52 2uuu s TYR 324 Ca 0.06 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 2uuu s TYR 324 Cb -0.12 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 2uuu s TYR 324 CO 0.01 -0.02 0.08 0.20 -1.57 0.00 0.00 175.55 174.26 2uuu s GLY 325 N -1.18 2.03 0.01 0.71 0.00 -0.69 -1.17 107.32 107.03 2uuu s GLY 325 Ca -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 2uuu s GLY 325 CO 0.01 -0.98 -0.01 -1.36 0.00 0.00 0.00 173.10 170.76 2uuu s PHE 326 N -1.38 0.13 0.01 1.90 0.08 -0.17 -0.17 117.98 118.38 2uuu s PHE 326 Ca 0.29 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 57.09 2uuu s PHE 326 Cb -0.12 -0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.20 2uuu s PHE 326 CO 0.22 -0.10 0.00 -0.51 -0.10 0.00 0.00 175.22 174.73 2uuu s LEU 327 N -0.76 3.50 0.20 -0.37 1.43 -0.20 -0.03 118.68 122.46 2uuu s LEU 327 Ca -0.08 -0.02 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 2uuu s LEU 327 Cb -0.05 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 2uuu s LEU 327 CO -0.00 0.27 -0.23 -0.36 0.23 0.00 0.00 176.35 176.26 2uuu s PHE 328 N -1.10 2.32 0.33 0.29 0.08 -0.20 -0.09 117.98 119.61 2uuu s PHE 328 Ca 0.20 -0.35 0.10 0.00 0.12 0.00 0.00 56.93 57.01 2uuu s PHE 328 Cb -0.12 -1.13 0.58 0.00 -0.57 0.00 0.00 43.02 41.79 2uuu s PHE 328 CO 0.11 0.53 1.76 -1.35 -0.10 0.00 0.00 175.22 176.16 2uuu h PRO 329 N 3.07 0.08 -3.88 0.24 0.11 -1.87 -2.09 132.00 127.65 2uuu h PRO 329 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2uuu h PRO 329 Cb 1.21 -0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2uuu h PRO 329 CO 0.50 0.48 -0.42 0.95 -0.21 0.00 0.00 178.00 179.30 2uuu s THR 330 N -4.09 0.15 0.22 -1.15 -4.23 -1.24 -3.61 115.64 101.68 2uuu s THR 330 Ca -0.03 -1.29 -0.08 0.00 -1.18 0.00 0.00 61.69 59.11 2uuu s THR 330 Cb 0.14 -1.39 0.17 0.00 1.34 0.00 0.00 72.50 72.76 2uuu s THR 330 CO 0.75 -0.69 1.80 0.15 -0.54 0.00 0.00 174.62 176.09 2uuu h PHE 331 N 2.80 0.72 -0.67 3.99 3.57 -1.90 -2.49 116.94 122.97 2uuu h PHE 331 Ca -0.34 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.33 2uuu h PHE 331 Cb 1.19 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.60 2uuu h PHE 331 CO 0.44 0.32 0.02 0.00 -2.23 0.00 0.00 178.31 176.85 2uuu h ALA 332 N 1.39 0.69 -0.41 2.41 0.00 -1.96 -0.79 119.26 120.59 2uuu h ALA 332 Ca 0.33 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 2uuu h ALA 332 Cb 0.26 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2uuu h ALA 332 CO -0.21 -0.40 0.22 0.45 0.00 0.00 0.00 179.25 179.31 2uuu h HIS 333 N 0.12 0.57 -0.77 0.00 3.86 -1.80 -1.94 115.15 115.19 2uuu h HIS 333 Ca 0.36 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.57 2uuu h HIS 333 Cb 0.60 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.84 2uuu h HIS 333 CO -0.38 0.44 0.50 0.00 0.86 0.00 0.00 177.93 179.35 2uuu h ALA 334 N 1.07 1.00 -0.64 2.45 0.00 -1.26 -1.30 119.26 120.59 2uuu h ALA 334 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2uuu h ALA 334 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2uuu h ALA 334 CO -0.02 0.34 0.19 0.28 0.00 0.00 0.00 179.25 180.03 2uuu h VAL 335 N 0.99 1.25 -0.75 0.00 2.07 -0.97 -1.23 116.25 117.61 2uuu h VAL 335 Ca 0.30 -0.87 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 2uuu h VAL 335 Cb -0.04 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2uuu h VAL 335 CO -0.09 0.33 0.28 0.28 0.02 0.00 0.00 177.57 178.39 2uuu h SER 336 N 0.92 1.06 -0.55 0.57 0.02 -0.97 -1.64 113.55 112.96 2uuu h SER 336 Ca 0.20 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2uuu h SER 336 Cb 0.31 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2uuu h SER 336 CO -0.00 0.96 0.31 0.00 -1.14 0.00 0.00 176.83 176.96 2uuu h ALA 337 N 1.14 0.71 -0.22 3.77 0.00 -0.96 -1.66 119.26 122.04 2uuu h ALA 337 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2uuu h ALA 337 Cb 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2uuu h ALA 337 CO -0.02 0.21 -0.09 -0.07 0.00 0.00 0.00 179.25 179.29 2uuu h LEU 338 N 0.74 -0.30 -0.39 0.00 4.07 -0.83 -0.74 115.31 117.87 2uuu h LEU 338 Ca 0.20 0.08 0.06 0.00 0.08 0.00 0.00 57.88 58.29 2uuu h LEU 338 Cb 0.03 0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 2uuu h LEU 338 CO -0.03 -0.12 0.10 1.56 -1.08 0.00 0.00 178.44 178.87 2uuu h GLN 339 N -0.05 0.23 -0.03 1.13 4.20 -1.14 -2.36 115.11 117.08 2uuu h GLN 339 Ca 0.11 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 2uuu h GLN 339 Cb 0.23 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2uuu h GLN 339 CO -0.26 0.15 -0.79 1.96 -0.67 0.00 0.00 178.83 179.23 2uuu h GLN 340 N 0.23 0.27 -0.07 1.46 4.20 -1.07 -1.70 115.11 118.43 2uuu h GLN 340 Ca 0.19 -0.25 0.02 0.00 0.06 0.00 0.00 58.65 58.66 2uuu h GLN 340 Cb 0.21 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2uuu h GLN 340 CO -0.23 0.93 -0.04 0.82 -0.67 0.00 0.00 178.83 179.64 2uuu h ILE 341 N 0.17 0.86 -0.60 2.54 2.04 -1.08 -1.15 117.51 120.29 2uuu h ILE 341 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 2uuu h ILE 341 Cb 1.38 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2uuu h ILE 341 CO 0.13 0.00 0.19 -0.09 0.00 0.00 0.00 178.15 178.38 2uuu h ARG 342 N -0.04 0.93 -0.44 2.37 2.43 -1.30 -2.44 114.38 115.89 2uuu h ARG 342 Ca 0.05 -0.20 0.06 0.00 -0.81 0.00 0.00 59.98 59.07 2uuu h ARG 342 Cb 0.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2uuu h ARG 342 CO -0.10 0.83 0.30 0.77 -1.51 0.00 0.00 179.97 180.25 2uuu h SER 343 N 0.85 0.31 0.83 -3.80 0.02 -1.17 -1.43 113.55 109.16 2uuu h SER 343 Ca 0.19 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2uuu h SER 343 Cb 0.28 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2uuu h SER 343 CO -0.01 0.21 0.00 0.77 -1.14 0.00 0.00 176.83 176.66 2uuu h SER 344 N 0.36 0.00 -0.03 3.07 4.64 -0.70 -3.47 113.55 117.43 2uuu h SER 344 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 2uuu h SER 344 Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2uuu h SER 344 CO -0.04 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 175.28 2uuu n GLU 345 N -3.03 -1.32 -3.88 4.77 1.02 -0.54 -4.96 120.64 112.71 2uuu n GLU 345 Ca 0.00 0.36 -0.34 0.00 -0.02 0.00 0.00 57.16 57.17 2uuu n GLU 345 Cb 0.26 -4.36 -0.13 0.00 -0.02 0.00 0.00 31.44 27.19 2uuu n GLU 345 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2uuu s VAL 346 N -1.38 2.90 0.03 2.62 1.01 -1.26 -5.10 120.40 119.22 2uuu s VAL 346 Ca 0.00 -2.47 0.06 0.00 0.00 0.00 0.00 61.98 59.57 2uuu s VAL 346 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2uuu s VAL 346 CO 0.00 -0.70 -0.15 0.27 0.00 0.00 0.00 175.10 174.52 2uuu s ILE 347 N 0.68 3.03 0.92 2.22 -4.36 -1.26 -4.75 121.20 117.68 2uuu s ILE 347 Ca 0.12 -1.05 -0.11 0.00 -0.26 0.00 0.00 60.65 59.35 2uuu s ILE 347 Cb -0.22 -2.28 0.14 0.00 1.25 0.00 0.00 42.46 41.36 2uuu s ILE 347 CO -0.05 0.37 1.09 -2.16 0.24 0.00 0.00 174.94 174.43 2uuu s PRO 348 N -1.38 1.03 0.26 0.37 0.04 -1.26 -4.94 135.00 129.10 2uuu s PRO 348 Ca 0.15 1.01 -0.03 0.00 0.04 0.00 0.00 61.00 62.18 2uuu s PRO 348 Cb -0.11 -1.77 0.32 0.00 0.04 0.00 0.00 34.50 32.98 2uuu s PRO 348 CO 0.06 -2.45 1.77 1.15 0.04 0.00 0.00 177.00 177.56 2uuu h THR 349 N -1.71 1.24 -2.96 1.26 2.02 -1.40 -3.44 112.91 107.91 2uuu h THR 349 Ca -0.49 -0.96 -0.13 0.00 0.77 0.00 0.00 66.41 65.60 2uuu h THR 349 Cb 1.28 0.78 -0.23 0.00 -1.74 0.00 0.00 68.15 68.25 2uuu h THR 349 CO 0.51 0.35 -0.30 -0.32 0.37 0.00 0.00 175.52 176.13 2uuu s MET 350 N -5.08 0.51 -0.01 6.66 -2.45 -1.08 -4.37 119.30 113.48 2uuu s MET 350 Ca -0.10 0.19 -0.03 0.00 -1.25 0.00 0.00 55.69 54.50 2uuu s MET 350 Cb 0.15 0.24 -0.00 0.00 1.25 0.00 0.00 34.83 36.46 2uuu s MET 350 CO 0.81 -0.10 0.07 -1.50 1.05 0.00 0.00 175.02 175.35 2uuu s ILE 351 N -0.45 0.05 -0.02 10.11 2.07 -1.26 -0.83 121.20 130.86 2uuu s ILE 351 Ca -0.06 -0.39 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 2uuu s ILE 351 Cb -0.04 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 42.33 2uuu s ILE 351 CO 0.02 -0.21 0.05 -0.60 -1.91 0.00 0.00 174.94 172.29 2uuu s ARG 352 N -0.67 0.03 -0.15 3.50 3.52 -0.52 -4.61 118.95 120.04 2uuu s ARG 352 Ca -0.08 0.14 -0.02 0.00 -0.13 0.00 0.00 55.73 55.65 2uuu s ARG 352 Cb -0.05 -0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 2uuu s ARG 352 CO 0.00 -0.08 -0.09 0.08 -0.81 0.00 0.00 175.30 174.41 2uuu s VAL 353 N 0.49 3.35 -0.14 7.11 1.01 -0.69 -1.24 120.40 130.29 2uuu s VAL 353 Ca -0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 2uuu s VAL 353 Cb -0.06 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2uuu s VAL 353 CO -0.02 0.50 0.05 -0.31 0.00 0.00 0.00 175.10 175.33 2uuu s TYR 354 N 0.54 3.28 1.07 5.22 2.02 -0.06 0.16 117.35 129.59 2uuu s TYR 354 Ca -0.06 0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.68 2uuu s TYR 354 Cb -0.15 -1.95 0.22 0.00 -0.40 0.00 0.00 41.96 39.68 2uuu s TYR 354 CO 0.03 0.36 1.09 0.16 -1.57 0.00 0.00 175.55 175.63 2uuu s ASP 355 N -0.31 2.03 0.34 2.29 -4.77 -0.31 -3.24 116.67 112.70 2uuu s ASP 355 Ca 0.08 1.04 0.03 0.00 -3.30 0.00 0.00 52.55 50.41 2uuu s ASP 355 Cb -0.12 -1.61 0.65 0.00 -1.09 0.00 0.00 42.92 40.75 2uuu s ASP 355 CO 0.02 -3.48 1.95 -0.65 0.70 0.00 0.00 175.17 173.70 2uuu h PRO 356 N -2.14 0.85 -0.18 2.11 0.11 -1.85 0.84 132.00 131.74 2uuu h PRO 356 Ca -0.53 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.50 2uuu h PRO 356 Cb 1.33 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2uuu h PRO 356 CO 0.52 0.56 0.01 0.93 -0.21 0.00 0.00 178.00 179.81 2uuu h GLU 357 N 0.87 0.31 0.00 1.05 3.07 -1.88 -0.81 114.58 117.19 2uuu h GLU 357 Ca 0.33 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2uuu h GLU 357 Cb 0.18 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2uuu h GLU 357 CO -0.11 0.51 -0.39 1.49 -1.40 0.00 0.00 179.01 179.11 2uuu h GLU 358 N 0.07 0.00 -0.34 2.33 4.81 -1.69 -2.01 114.58 117.74 2uuu h GLU 358 Ca 0.05 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2uuu h GLU 358 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2uuu h GLU 358 CO 0.01 0.39 0.09 1.15 -0.73 0.00 0.00 179.01 179.92 2uuu h THR 359 N 0.00 1.22 -0.28 0.32 2.02 -0.48 -0.62 112.91 115.09 2uuu h THR 359 Ca -0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 2uuu h THR 359 Cb 0.72 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2uuu h THR 359 CO 0.05 0.24 0.19 1.56 0.37 0.00 0.00 175.52 177.93 2uuu h GLN 360 N 0.40 0.37 -0.32 6.66 4.20 -0.92 -1.79 115.11 123.71 2uuu h GLN 360 Ca 0.11 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.86 2uuu h GLN 360 Cb 0.28 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 2uuu h GLN 360 CO -0.00 0.25 -0.09 1.25 -0.67 0.00 0.00 178.83 179.57 2uuu h LEU 361 N 0.38 -0.32 -1.25 1.46 5.85 -1.24 -1.02 115.31 119.16 2uuu h LEU 361 Ca 0.10 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.11 2uuu h LEU 361 Cb -0.04 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2uuu h LEU 361 CO -0.02 -0.12 0.60 0.28 -0.34 0.00 0.00 178.44 178.85 2uuu h SER 362 N -0.01 0.63 1.20 1.25 0.02 -0.77 -1.72 113.55 114.14 2uuu h SER 362 Ca 0.16 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2uuu h SER 362 Cb 0.25 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2uuu h SER 362 CO -0.34 0.26 -0.58 -0.26 -1.14 0.00 0.00 176.83 174.77 2uuu h PHE 363 N 0.63 0.00 -0.35 3.45 0.04 -0.55 -2.96 116.94 117.21 2uuu h PHE 363 Ca 0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.28 2uuu h PHE 363 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2uuu h PHE 363 CO -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 2uuu n ALA 364 N -2.01 2.46 0.62 2.45 0.00 -0.46 -3.80 120.51 119.77 2uuu n ALA 364 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 53.44 52.76 2uuu n ALA 364 Cb 0.50 -0.99 0.19 0.00 0.00 0.00 0.00 19.45 19.15 2uuu n ALA 364 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 2uuu n TRP 365 N 0.84 0.61 -2.87 0.00 -0.00 -0.71 -3.76 117.44 111.55 2uuu n TRP 365 Ca 0.17 -0.29 -0.42 0.00 -0.00 0.00 0.00 57.50 56.96 2uuu n TRP 365 Cb 0.43 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.31 31.66 2uuu n TRP 365 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2uuu s LYS 366 N -1.51 3.85 0.00 5.87 2.20 -1.25 -5.10 119.74 123.81 2uuu s LYS 366 Ca 0.28 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2uuu s LYS 366 Cb 0.15 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2uuu s LYS 366 CO 0.18 -0.86 0.81 -2.30 -0.36 0.00 0.00 175.35 172.81 2uuu n PRO 367 N 6.56 0.00 0.00 4.03 -0.02 -1.26 -4.39 135.00 139.92 2uuu n PRO 367 Ca 0.05 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2uuu n PRO 367 Cb 0.48 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 2uuu n PRO 367 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2uuu n SER 373 N -2.17 0.00 -0.00 2.55 2.88 -1.26 -4.86 113.62 110.76 2uuu n SER 373 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 2uuu n SER 373 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 2uuu n SER 373 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2uuu h GLU 374 N 0.00 0.53 0.00 -1.46 4.11 -2.04 -2.73 114.58 112.99 2uuu h GLU 374 Ca 0.00 -0.21 -0.20 0.00 0.07 0.00 0.00 59.36 59.02 2uuu h GLU 374 Cb 0.00 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2uuu h GLU 374 CO 0.00 0.75 -0.97 0.74 0.07 0.00 0.00 179.01 179.60 2uuu h PHE 375 N 0.46 0.00 -0.04 2.06 -1.00 -2.00 -3.26 116.94 113.15 2uuu h PHE 375 Ca 0.06 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 2uuu h PHE 375 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 2uuu h PHE 375 CO 0.03 0.97 -0.14 0.00 -1.61 0.00 0.00 178.31 177.56 2uuu h THR 376 N 0.00 1.46 0.00 -1.55 1.03 -1.91 -2.82 112.91 109.12 2uuu h THR 376 Ca -0.01 -1.57 -0.02 0.00 -0.01 0.00 0.00 66.41 64.80 2uuu h THR 376 Cb 1.75 2.39 -0.00 0.00 -1.07 0.00 0.00 68.15 71.22 2uuu h THR 376 CO 0.13 0.43 -0.10 0.77 -0.01 0.00 0.00 175.52 176.73 2uuu h SER 377 N -0.39 0.00 -0.45 0.00 4.64 -1.64 -0.96 113.55 114.75 2uuu h SER 377 Ca -0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.19 2uuu h SER 377 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.85 2uuu h SER 377 CO 0.03 0.10 -0.19 0.00 -0.87 0.00 0.00 176.83 175.90 2uuu h ALA 378 N 1.90 0.63 -0.84 5.18 0.00 -1.59 -1.86 119.26 122.67 2uuu h ALA 378 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2uuu h ALA 378 Cb 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2uuu h ALA 378 CO 0.01 0.59 0.51 0.52 0.00 0.00 0.00 179.25 180.88 2uuu h MET 379 N 0.76 1.14 -0.17 0.00 2.86 -1.06 -2.30 114.93 116.16 2uuu h MET 379 Ca 0.10 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 2uuu h MET 379 Cb 0.76 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2uuu h MET 379 CO 0.06 0.80 -0.28 0.28 1.06 0.00 0.00 176.91 178.84 2uuu h VAL 380 N 1.16 1.26 -0.65 -2.22 2.07 -0.99 -1.35 116.25 115.53 2uuu h VAL 380 Ca 0.30 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.52 2uuu h VAL 380 Cb -0.05 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2uuu h VAL 380 CO -0.06 0.38 0.13 0.11 0.02 0.00 0.00 177.57 178.15 2uuu h LYS 381 N 0.29 1.06 -0.54 1.57 1.57 -1.16 -2.37 116.57 116.98 2uuu h LYS 381 Ca 0.04 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2uuu h LYS 381 Cb 0.64 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2uuu h LYS 381 CO 0.05 0.97 0.15 0.87 -0.57 0.00 0.00 179.45 180.92 2uuu h LYS 382 N 0.98 0.82 -0.61 3.15 1.57 -0.79 -2.06 116.57 119.62 2uuu h LYS 382 Ca 0.20 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.74 2uuu h LYS 382 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2uuu h LYS 382 CO 0.01 0.72 0.04 -0.92 -0.57 0.00 0.00 179.45 178.74 2uuu h TYR 383 N 0.79 1.12 0.24 -1.35 5.03 -1.14 -2.24 116.97 119.43 2uuu h TYR 383 Ca 0.18 -0.17 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2uuu h TYR 383 Cb 0.26 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.24 2uuu h TYR 383 CO 0.02 0.97 -0.12 -0.07 -1.32 0.00 0.00 178.16 177.64 2uuu h LEU 384 N 0.96 -0.27 -0.32 2.82 3.38 -1.01 -1.89 115.31 118.98 2uuu h LEU 384 Ca 0.18 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2uuu h LEU 384 Cb 0.49 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 2uuu h LEU 384 CO 0.02 -0.09 -0.23 -0.74 0.09 0.00 0.00 178.44 177.50 2uuu h HIS 385 N -0.45 -0.59 -0.63 1.13 2.76 -1.37 -2.78 115.15 113.22 2uuu h HIS 385 Ca -0.03 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.24 2uuu h HIS 385 Cb 0.34 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.56 2uuu h HIS 385 CO -0.03 -0.30 0.34 -0.92 -1.30 0.00 0.00 177.93 175.72 2uuu h TYR 386 N -0.19 0.61 -0.00 5.26 5.03 -1.26 -3.04 116.97 123.38 2uuu h TYR 386 Ca 0.17 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.50 2uuu h TYR 386 Cb 0.45 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.55 2uuu h TYR 386 CO -0.42 0.28 0.00 0.44 -1.32 0.00 0.00 178.16 177.14 2uuu n ILE 387 N -4.83 0.00 -0.04 1.81 -5.35 -0.73 -1.35 119.36 108.88 2uuu n ILE 387 Ca 0.08 -0.01 -0.15 0.00 -0.27 0.00 0.00 62.75 62.40 2uuu n ILE 387 Cb 0.18 -0.34 -0.08 0.00 -1.74 0.00 0.00 39.64 37.66 2uuu n ILE 387 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2uuu h ARG 388 N 0.09 0.49 0.16 6.28 2.43 -1.51 -3.37 114.38 118.95 2uuu h ARG 388 Ca 0.00 -0.35 -0.36 0.00 -0.81 0.00 0.00 59.98 58.47 2uuu h ARG 388 Cb 0.02 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2uuu h ARG 388 CO 0.00 0.96 -1.87 0.77 -1.51 0.00 0.00 179.97 178.32 2uuu h SER 389 N 0.10 0.52 -3.62 -3.80 0.02 -1.70 -3.44 113.55 101.62 2uuu h SER 389 Ca -0.01 -0.94 -0.69 0.00 -0.84 0.00 0.00 61.79 59.31 2uuu h SER 389 Cb 0.99 -0.17 -0.24 0.00 0.14 0.00 0.00 62.40 63.12 2uuu h SER 389 CO 0.08 1.82 -0.54 -0.36 -1.14 0.00 0.00 176.83 176.69 2uuu s PHE 390 N -2.57 3.21 -0.10 3.45 0.40 -0.46 -5.05 117.98 116.86 2uuu s PHE 390 Ca -0.19 -0.79 -0.39 0.00 -0.60 0.00 0.00 56.93 54.97 2uuu s PHE 390 Cb 0.06 -2.39 -0.17 0.00 0.51 0.00 0.00 43.02 41.04 2uuu s PHE 390 CO 0.81 -0.55 1.49 -3.47 0.70 0.00 0.00 175.22 174.20 2uuu n ASP 391 N 4.98 1.78 0.22 1.36 4.64 -1.26 -3.99 116.55 124.28 2uuu n ASP 391 Ca -0.13 1.11 0.15 0.00 -1.38 0.00 0.00 54.79 54.54 2uuu n ASP 391 Cb 0.48 -1.13 0.58 0.00 -1.04 0.00 0.00 41.12 40.01 2uuu n ASP 391 CO 0.00 0.00 0.00 2.19 -0.82 0.00 0.00 177.20 178.57 2uuu h PHE 392 N 5.50 0.00 0.00 -0.67 -5.15 -1.96 -2.14 116.94 112.52 2uuu h PHE 392 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2uuu h PHE 392 Cb 1.34 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.51 2uuu h PHE 392 CO 0.67 0.00 0.00 0.87 -2.00 0.00 0.00 178.31 177.85 2uuu h LYS 393 N 0.00 0.00 0.00 6.09 1.57 -1.96 -3.17 116.57 119.10 2uuu h LYS 393 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2uuu h LYS 393 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2uuu h LYS 393 CO 0.00 0.00 -0.22 0.09 -0.57 0.00 0.00 179.45 178.75 2uuu n ASN 394 N -3.07 1.08 -4.73 0.86 5.03 -0.83 -4.76 115.26 108.85 2uuu n ASN 394 Ca -0.02 -0.38 -0.42 0.00 0.87 0.00 0.00 54.58 54.63 2uuu n ASN 394 Cb 0.13 0.98 -0.03 0.00 -1.02 0.00 0.00 39.78 39.84 2uuu n ASN 394 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2uuu s VAL 395 N -1.20 3.28 -0.03 2.41 1.01 -1.06 -3.73 120.40 121.08 2uuu s VAL 395 Ca 0.00 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2uuu s VAL 395 Cb 0.00 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 2uuu s VAL 395 CO 0.00 0.12 -0.24 0.00 0.00 0.00 0.00 175.10 174.98 2uuu s LEU 397 N -0.51 4.43 -0.02 0.00 2.96 -1.20 -1.04 118.68 123.30 2uuu s LEU 397 Ca 0.07 0.74 0.05 0.00 -0.22 0.00 0.00 54.13 54.76 2uuu s LEU 397 Cb -0.11 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 2uuu s LEU 397 CO 0.00 0.34 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.66 2uuu s SER 398 N -1.17 1.88 -0.11 3.68 0.15 0.96 -0.88 113.70 118.21 2uuu s SER 398 Ca 0.22 -0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.59 2uuu s SER 398 Cb -0.15 -0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 2uuu s SER 398 CO 0.11 0.17 -0.15 -0.63 1.20 0.00 0.00 173.24 173.94 2uuu s ILE 399 N -0.22 2.86 -0.06 6.45 1.09 -0.38 -1.00 121.20 129.93 2uuu s ILE 399 Ca 0.03 -0.75 -0.00 0.00 -1.10 0.00 0.00 60.65 58.83 2uuu s ILE 399 Cb -0.08 -2.17 0.03 0.00 -1.06 0.00 0.00 42.46 39.18 2uuu s ILE 399 CO 0.00 0.54 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.74 2uuu s ILE 400 N 0.15 0.43 0.13 2.92 1.01 -0.32 -1.44 121.20 124.07 2uuu s ILE 400 Ca -0.08 0.03 0.10 0.00 0.00 0.00 0.00 60.65 60.70 2uuu s ILE 400 Cb -0.15 -0.53 -0.04 0.00 0.01 0.00 0.00 42.46 41.75 2uuu s ILE 400 CO 0.05 0.24 -0.23 -0.83 0.00 0.00 0.00 174.94 174.17 2uuu s GLY 401 N 1.57 1.42 -0.03 6.18 0.00 -0.01 -0.80 107.32 115.64 2uuu s GLY 401 Ca -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 44.72 43.33 2uuu s GLY 401 CO -0.03 -1.39 -0.03 -1.36 0.00 0.00 0.00 173.10 170.29 2uuu s PHE 402 N -1.26 0.54 0.03 1.90 0.08 0.15 -0.93 117.98 118.49 2uuu s PHE 402 Ca 0.11 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.08 2uuu s PHE 402 Cb -0.09 -0.50 -0.02 0.00 -0.57 0.00 0.00 43.02 41.84 2uuu s PHE 402 CO 0.06 -0.13 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.75 2uuu s GLU 403 N 0.71 0.63 0.00 0.44 2.02 -1.26 -0.48 118.70 120.76 2uuu s GLU 403 Ca -0.08 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2uuu s GLU 403 Cb -0.12 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.59 2uuu s GLU 403 CO -0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2uuu n GLY 404 N 1.93 0.56 3.76 -1.39 0.00 -0.46 -4.81 105.19 104.80 2uuu n GLY 404 Ca -0.19 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2uuu n GLY 404 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2uuu n PRO 405 N 0.00 2.63 -0.32 1.61 -0.02 -1.26 -0.86 135.00 136.78 2uuu n PRO 405 Ca 0.00 0.92 0.07 0.00 -2.02 0.00 0.00 63.50 62.47 2uuu n PRO 405 Cb 0.00 -2.65 0.17 0.00 -0.02 0.00 0.00 33.50 31.00 2uuu n PRO 405 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2uuu h LYS 406 N 3.23 0.02 -0.94 -0.52 3.64 -1.91 -0.79 116.57 119.29 2uuu h LYS 406 Ca -0.50 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 58.96 2uuu h LYS 406 Cb 1.24 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.99 2uuu h LYS 406 CO 0.66 0.01 0.59 0.87 -2.27 0.00 0.00 179.45 179.32 2uuu h LYS 407 N 0.02 1.01 0.03 1.90 1.57 -2.00 -0.22 116.57 118.88 2uuu h LYS 407 Ca 0.47 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2uuu h LYS 407 Cb 0.81 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2uuu h LYS 407 CO -0.89 0.67 -0.02 0.28 -0.57 0.00 0.00 179.45 178.92 2uuu h VAL 408 N 1.04 1.30 -0.55 0.50 2.07 -1.57 -2.66 116.25 116.38 2uuu h VAL 408 Ca 0.43 -1.07 0.06 0.00 0.82 0.00 0.00 66.70 66.93 2uuu h VAL 408 Cb 0.25 2.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 2uuu h VAL 408 CO -0.20 0.27 0.25 0.58 0.02 0.00 0.00 177.57 178.49 2uuu h VAL 409 N -0.52 0.89 -0.50 2.57 2.07 -1.00 -0.70 116.25 119.07 2uuu h VAL 409 Ca -0.00 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2uuu h VAL 409 Cb 0.48 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2uuu h VAL 409 CO 0.01 0.09 0.33 0.44 0.02 0.00 0.00 177.57 178.45 2uuu h ASP 410 N 0.47 0.56 -0.28 0.57 3.32 -1.05 0.14 116.42 120.15 2uuu h ASP 410 Ca 0.25 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 2uuu h ASP 410 Cb 0.22 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2uuu h ASP 410 CO -0.21 0.41 -0.01 0.15 -1.72 0.00 0.00 179.24 177.85 2uuu h PHE 411 N 0.67 0.55 -0.20 4.55 3.57 -1.08 -1.29 116.94 123.70 2uuu h PHE 411 Ca 0.18 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 2uuu h PHE 411 Cb -0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2uuu h PHE 411 CO -0.04 0.66 0.05 0.45 -2.23 0.00 0.00 178.31 177.19 2uuu h HIS 412 N 0.28 0.34 -0.28 0.41 3.86 -0.95 -1.81 115.15 117.01 2uuu h HIS 412 Ca 0.08 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.28 2uuu h HIS 412 Cb 0.45 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 2uuu h HIS 412 CO 0.04 0.45 0.06 -0.09 0.86 0.00 0.00 177.93 179.25 2uuu h ARG 413 N 0.14 0.17 -0.53 2.45 2.43 -0.70 0.47 114.38 118.82 2uuu h ARG 413 Ca 0.06 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2uuu h ARG 413 Cb 0.28 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2uuu h ARG 413 CO 0.00 0.11 0.03 1.79 -1.51 0.00 0.00 179.97 180.40 2uuu h THR 414 N 0.17 1.26 -0.05 0.20 1.35 -1.18 -0.15 112.91 114.51 2uuu h THR 414 Ca 0.13 -1.04 0.03 0.00 -0.55 0.00 0.00 66.41 64.98 2uuu h THR 414 Cb 0.13 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.41 2uuu h THR 414 CO -0.17 0.37 -0.15 -1.28 -0.25 0.00 0.00 175.52 174.04 2uuu h SER 415 N 0.78 -0.45 -0.51 5.36 0.87 -1.13 -2.31 113.55 116.16 2uuu h SER 415 Ca 0.15 0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 2uuu h SER 415 Cb 0.48 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2uuu h SER 415 CO 0.02 -0.20 -0.06 0.58 -0.53 0.00 0.00 176.83 176.64 2uuu h VAL 416 N -0.23 1.27 -0.60 2.23 2.07 -0.67 -2.86 116.25 117.46 2uuu h VAL 416 Ca 0.07 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2uuu h VAL 416 Cb 0.32 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2uuu h VAL 416 CO -0.18 0.41 0.23 -0.26 0.02 0.00 0.00 177.57 177.80 2uuu h PHE 417 N 0.81 0.88 -0.06 1.57 -1.00 -1.00 -0.38 116.94 117.77 2uuu h PHE 417 Ca 0.14 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.88 2uuu h PHE 417 Cb 0.60 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2uuu h PHE 417 CO 0.04 0.69 -0.02 0.22 -1.61 0.00 0.00 178.31 177.63 2uuu h ASP 418 N 0.86 -0.07 -0.54 2.17 1.82 -1.20 -0.70 116.42 118.76 2uuu h ASP 418 Ca 0.20 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.85 2uuu h ASP 418 Cb 0.18 0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 2uuu h ASP 418 CO -0.02 -0.03 0.28 0.40 -1.61 0.00 0.00 179.24 178.26 2uuu h ILE 419 N -0.01 1.19 -0.66 2.25 2.04 -1.28 -2.27 117.51 118.76 2uuu h ILE 419 Ca 0.03 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.43 2uuu h ILE 419 Cb 0.06 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2uuu h ILE 419 CO -0.07 0.21 0.39 -0.07 0.00 0.00 0.00 178.15 178.61 2uuu h LEU 420 N 0.72 0.62 -1.06 1.44 3.38 -0.84 -2.47 115.31 117.09 2uuu h LEU 420 Ca 0.19 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2uuu h LEU 420 Cb 0.08 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 2uuu h LEU 420 CO -0.03 0.42 0.63 0.77 0.09 0.00 0.00 178.44 180.32 2uuu h SER 421 N 0.75 1.07 0.42 -0.43 4.64 -0.85 -0.71 113.55 118.45 2uuu h SER 421 Ca 0.28 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2uuu h SER 421 Cb 0.09 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2uuu h SER 421 CO -0.14 0.75 0.00 0.29 -0.87 0.00 0.00 176.83 176.86 2uuu n LYS 422 N -4.42 0.05 -0.50 4.77 5.02 -0.88 -2.99 118.16 119.20 2uuu n LYS 422 Ca 0.12 0.24 0.07 0.00 -2.02 0.00 0.00 58.31 56.72 2uuu n LYS 422 Cb 0.06 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.75 2uuu n LYS 422 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2uuu n ASN 423 N -1.45 1.81 -1.68 4.39 3.02 -0.32 -4.99 115.26 116.05 2uuu n ASN 423 Ca 0.04 -3.60 -0.16 0.00 -0.03 0.00 0.00 54.58 50.83 2uuu n ASN 423 Cb 0.15 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2uuu n ASN 423 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uuu n ALA 424 N -1.12 -0.42 -1.78 5.41 0.00 -1.13 -4.76 120.51 116.72 2uuu n ALA 424 Ca 0.17 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.41 2uuu n ALA 424 Cb 0.70 -1.78 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 2uuu n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2uuu s ALA 425 N -2.75 3.09 -0.22 0.00 0.00 -0.92 -4.44 121.76 116.51 2uuu s ALA 425 Ca 0.00 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.72 2uuu s ALA 425 Cb 0.00 -3.29 0.05 0.00 0.00 0.00 0.00 23.12 19.88 2uuu s ALA 425 CO 0.00 -0.27 -0.12 0.12 0.00 0.00 0.00 175.76 175.48 2uuu s PHE 426 N -1.62 2.83 0.18 0.00 5.36 0.87 -4.72 117.98 120.88 2uuu s PHE 426 Ca 0.58 -1.91 -0.32 0.00 -0.96 0.00 0.00 56.93 54.32 2uuu s PHE 426 Cb -0.23 -1.81 -0.11 0.00 -0.34 0.00 0.00 43.02 40.52 2uuu s PHE 426 CO 0.29 -0.81 1.73 0.20 -1.46 0.00 0.00 175.22 175.17 2uuu s GLY 427 N 1.26 1.28 0.00 13.12 0.00 -1.26 -1.03 107.32 120.68 2uuu s GLY 427 Ca -0.03 1.53 0.25 0.00 0.00 0.00 0.00 44.72 46.47 2uuu s GLY 427 CO -0.08 2.92 1.41 1.04 0.00 0.00 0.00 173.10 178.40 2uuu n LEU 428 N 4.42 1.83 0.00 0.66 4.77 0.77 -4.91 117.00 124.53 2uuu n LEU 428 Ca 0.16 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2uuu n LEU 428 Cb 0.36 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2uuu n LEU 428 CO 0.64 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 2uuu n GLY 429 N 1.33 -1.20 3.34 -0.72 0.00 -1.23 -4.62 105.19 102.08 2uuu n GLY 429 Ca 0.13 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 2uuu n GLY 429 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uuu s SER 430 N -4.00 1.66 0.16 1.61 0.15 -1.26 -1.70 113.70 110.32 2uuu s SER 430 Ca 0.00 -1.30 0.04 0.00 0.70 0.00 0.00 55.95 55.39 2uuu s SER 430 Cb 0.00 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.32 2uuu s SER 430 CO 0.00 -0.61 -0.07 0.00 1.20 0.00 0.00 173.24 173.76 2uuu s ALA 431 N -3.53 1.46 0.62 5.45 0.00 -1.26 -4.96 121.76 119.54 2uuu s ALA 431 Ca 0.33 -1.54 -0.17 0.00 0.00 0.00 0.00 51.96 50.58 2uuu s ALA 431 Cb 0.07 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 2uuu s ALA 431 CO 0.11 -0.16 1.15 -1.25 0.00 0.00 0.00 175.76 175.61 2uuu s PRO 432 N -3.79 2.90 1.82 0.00 0.04 -1.26 -4.67 135.00 130.03 2uuu s PRO 432 Ca 0.19 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2uuu s PRO 432 Cb 0.04 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2uuu s PRO 432 CO 0.02 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.25 2uuu n GLY 433 N 0.02 0.78 0.00 0.56 0.00 -1.26 -4.61 105.19 100.68 2uuu n GLY 433 Ca 0.12 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2uuu n GLY 433 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uuu n LYS 434 N 4.08 0.00 0.32 1.61 4.81 -1.26 -4.50 118.16 123.21 2uuu n LYS 434 Ca 0.00 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.63 2uuu n LYS 434 Cb 0.00 0.00 1.04 0.00 0.02 0.00 0.00 35.03 36.09 2uuu n LYS 434 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2uuu h THR 435 N 1.46 0.00 -0.03 3.15 2.02 -1.95 0.12 112.91 117.67 2uuu h THR 435 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2uuu h THR 435 Cb 0.59 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2uuu h THR 435 CO 0.00 0.00 -0.21 -0.50 0.37 0.00 0.00 175.52 175.18 2uuu h TRP 436 N 0.00 -0.61 0.00 3.16 4.06 -1.91 -3.03 115.95 117.62 2uuu h TRP 436 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 2uuu h TRP 436 Cb 0.20 0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 2uuu h TRP 436 CO 0.00 -0.21 0.00 0.00 -3.56 0.00 0.00 178.44 174.67 2uuu n ALA 437 N -2.71 1.64 0.33 1.49 0.00 0.35 -2.80 120.51 118.81 2uuu n ALA 437 Ca -0.03 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.52 2uuu n ALA 437 Cb 0.15 -1.30 0.24 0.00 0.00 0.00 0.00 19.45 18.54 2uuu n ALA 437 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2uuu n GLU 438 N -1.87 2.24 0.08 0.00 1.02 -0.81 -4.40 120.64 116.91 2uuu n GLU 438 Ca 0.03 -1.92 -0.09 0.00 -0.02 0.00 0.00 57.16 55.16 2uuu n GLU 438 Cb 0.19 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2uuu n GLU 438 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2uuu h LYS 439 N 3.18 0.10 -0.04 3.49 3.11 -1.50 -3.11 116.57 121.81 2uuu h LYS 439 Ca 0.00 -0.14 0.01 0.00 -2.81 0.00 0.00 60.65 57.71 2uuu h LYS 439 Cb 0.73 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.00 2uuu h LYS 439 CO 0.00 1.00 0.04 0.07 -2.81 0.00 0.00 179.45 177.75 2uuu h ARG 440 N 0.04 0.00 -0.04 1.90 0.11 -1.83 -2.83 114.38 111.73 2uuu h ARG 440 Ca -0.04 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.97 2uuu h ARG 440 Cb 1.69 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.76 2uuu h ARG 440 CO 0.14 0.00 -0.27 1.88 0.10 0.00 0.00 179.97 181.82 2uuu h TYR 441 N 0.00 0.08 0.00 4.08 0.99 -1.78 -2.88 116.97 117.46 2uuu h TYR 441 Ca 0.02 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2uuu h TYR 441 Cb 0.10 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.81 2uuu h TYR 441 CO 0.00 0.35 0.00 -0.44 -0.00 0.00 0.00 178.16 178.07 2uuu h ASP 442 N 0.07 0.00 -0.41 3.88 3.45 -1.69 -3.38 116.42 118.35 2uuu h ASP 442 Ca 0.01 0.00 0.07 0.00 0.43 0.00 0.00 57.03 57.54 2uuu h ASP 442 Cb 0.52 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.23 2uuu h ASP 442 CO 0.04 0.00 0.02 -0.07 -1.57 0.00 0.00 179.24 177.66 2uuu h LEU 443 N 0.00 -0.12 -2.34 1.55 3.38 -1.63 -1.59 115.31 114.55 2uuu h LEU 443 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2uuu h LEU 443 Cb 0.74 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2uuu h LEU 443 CO 0.00 -0.03 0.12 1.55 0.09 0.00 0.00 178.44 180.17 2uuu h PRO 444 N 0.13 0.00 -0.46 1.13 0.13 -1.80 -0.45 132.00 130.68 2uuu h PRO 444 Ca 0.20 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.23 2uuu h PRO 444 Cb 0.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.39 2uuu h PRO 444 CO -0.32 0.00 -0.11 1.88 -0.23 0.00 0.00 178.00 179.23 2uuu h TYR 445 N 0.00 0.93 -0.24 1.56 -1.99 -1.55 -2.66 116.97 113.01 2uuu h TYR 445 Ca 0.05 -0.18 -0.07 0.00 2.00 0.00 0.00 58.73 60.53 2uuu h TYR 445 Cb 0.29 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2uuu h TYR 445 CO 0.00 0.91 -0.14 0.82 -0.00 0.00 0.00 178.16 179.75 2uuu h ILE 446 N 0.76 1.22 -0.65 -2.88 2.04 -1.04 -2.75 117.51 114.21 2uuu h ILE 446 Ca 0.13 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.07 2uuu h ILE 446 Cb 0.61 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 2uuu h ILE 446 CO 0.04 0.31 0.35 -0.09 0.00 0.00 0.00 178.15 178.76 2uuu h ARG 447 N 0.38 0.62 -0.81 2.37 2.43 -1.14 -0.97 114.38 117.26 2uuu h ARG 447 Ca 0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2uuu h ARG 447 Cb 0.48 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2uuu h ARG 447 CO 0.03 0.41 0.41 -0.44 -1.51 0.00 0.00 179.97 178.86 2uuu h ASP 448 N 0.63 1.03 -0.50 -3.80 3.32 -1.38 -1.98 116.42 113.75 2uuu h ASP 448 Ca 0.30 -0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2uuu h ASP 448 Cb 0.22 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2uuu h ASP 448 CO -0.20 0.86 0.10 0.15 -1.72 0.00 0.00 179.24 178.43 2uuu h PHE 449 N 1.14 0.91 -0.23 4.55 3.04 -1.12 -1.34 116.94 123.90 2uuu h PHE 449 Ca 0.28 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 2uuu h PHE 449 Cb 0.08 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 2uuu h PHE 449 CO 0.01 0.78 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.00 2uuu h LEU 450 N 0.84 0.41 -1.64 0.59 3.38 -0.85 -2.69 115.31 115.35 2uuu h LEU 450 Ca 0.18 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2uuu h LEU 450 Cb 0.35 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2uuu h LEU 450 CO 0.01 0.63 0.21 -0.07 0.09 0.00 0.00 178.44 179.30 2uuu h LEU 451 N 0.18 0.39 -0.72 1.67 3.38 -1.22 -0.20 115.31 118.78 2uuu h LEU 451 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2uuu h LEU 451 Cb 0.43 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2uuu h LEU 451 CO 0.01 0.30 0.00 0.44 0.09 0.00 0.00 178.44 179.28 2uuu h ASP 452 N 0.46 0.00 -1.29 -0.43 3.32 -1.14 -3.34 116.42 114.00 2uuu h ASP 452 Ca 0.12 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.66 2uuu h ASP 452 Cb -0.02 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.11 2uuu h ASP 452 CO -0.02 0.00 -0.89 1.41 -1.72 0.00 0.00 179.24 178.02 2uuu n HIS 453 N -2.65 2.63 -2.14 4.55 8.25 -0.26 -0.18 115.22 125.42 2uuu n HIS 453 Ca 0.03 -2.94 -0.13 0.00 -0.26 0.00 0.00 57.72 54.41 2uuu n HIS 453 Cb 0.34 -0.19 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 2uuu n HIS 453 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2uuu n ASN 454 N -0.37 -4.16 -4.26 0.41 5.15 -1.10 -4.52 115.26 106.41 2uuu n ASN 454 Ca 0.29 0.03 -0.14 0.00 -0.60 0.00 0.00 54.58 54.16 2uuu n ASN 454 Cb 0.73 -3.28 -0.10 0.00 -0.53 0.00 0.00 39.78 36.59 2uuu n ASN 454 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2uuu s MET 455 N -4.47 1.15 0.09 1.20 -1.94 -0.25 -0.37 119.30 114.71 2uuu s MET 455 Ca 0.00 -1.56 -0.06 0.00 -1.71 0.00 0.00 55.69 52.36 2uuu s MET 455 Cb 0.00 -0.35 -0.02 0.00 2.01 0.00 0.00 34.83 36.47 2uuu s MET 455 CO 0.00 -0.11 0.13 1.67 -0.01 0.00 0.00 175.02 176.69 2uuu s TRP 456 N -3.59 0.32 -0.16 -0.03 1.48 -0.38 -2.87 118.94 113.70 2uuu s TRP 456 Ca 0.25 -0.77 -0.12 0.00 -1.06 0.00 0.00 56.10 54.39 2uuu s TRP 456 Cb 0.06 -0.18 0.05 0.00 -1.16 0.00 0.00 33.47 32.24 2uuu s TRP 456 CO 0.05 -0.51 0.41 0.54 -4.06 0.00 0.00 176.95 173.38 2uuu s VAL 457 N -3.90 -0.01 0.37 -0.66 0.11 -1.26 -2.41 120.40 112.64 2uuu s VAL 457 Ca 0.08 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.23 2uuu s VAL 457 Cb 0.06 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 2uuu s VAL 457 CO -0.09 0.02 0.20 -0.62 -3.33 0.00 0.00 175.10 171.28 2uuu s ASP 458 N 0.82 2.28 0.05 3.54 3.68 -0.31 -4.86 116.67 121.87 2uuu s ASP 458 Ca -0.05 -1.73 0.01 0.00 2.13 0.00 0.00 52.55 52.91 2uuu s ASP 458 Cb -0.06 0.56 -0.03 0.00 -1.45 0.00 0.00 42.92 41.94 2uuu s ASP 458 CO -0.06 -1.01 -0.05 0.68 0.13 0.00 0.00 175.17 174.86 2uuu s VAL 459 N -3.32 0.37 -0.08 1.11 -7.23 -1.26 -1.39 120.40 108.60 2uuu s VAL 459 Ca 0.31 -1.45 -0.09 0.00 -1.81 0.00 0.00 61.98 58.94 2uuu s VAL 459 Cb 0.02 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.95 2uuu s VAL 459 CO 0.20 -0.71 0.24 0.00 -0.31 0.00 0.00 175.10 174.53 2uuu s ALA 460 N -2.67 -0.60 -0.02 1.32 0.00 -0.95 -5.00 121.76 113.85 2uuu s ALA 460 Ca -0.02 0.60 0.05 0.00 0.00 0.00 0.00 51.96 52.60 2uuu s ALA 460 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2uuu s ALA 460 CO -0.04 -0.13 -0.18 -2.00 0.00 0.00 0.00 175.76 173.41 2uuu s GLU 461 N -0.10 1.45 0.03 0.00 2.12 -1.26 -0.11 118.70 120.82 2uuu s GLU 461 Ca -0.02 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 2uuu s GLU 461 Cb -0.02 -1.39 -0.01 0.00 0.26 0.00 0.00 34.13 32.96 2uuu s GLU 461 CO 0.01 0.37 0.07 -0.08 -0.54 0.00 0.00 175.26 175.09 2uuu s THR 462 N -0.38 0.12 -0.14 -1.70 -1.32 0.07 -4.83 115.64 107.46 2uuu s THR 462 Ca 0.06 -1.03 -0.11 0.00 -1.21 0.00 0.00 61.69 59.40 2uuu s THR 462 Cb -0.07 -0.73 -0.05 0.00 -1.51 0.00 0.00 72.50 70.15 2uuu s THR 462 CO -0.01 -0.57 0.23 -0.89 -2.21 0.00 0.00 174.62 171.17 2uuu s THR 463 N -2.24 5.35 -0.04 5.08 2.01 -1.26 -0.02 115.64 124.52 2uuu s THR 463 Ca -0.08 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.24 2uuu s THR 463 Cb -0.03 -3.54 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2uuu s THR 463 CO -0.03 0.49 0.19 0.54 -0.69 0.00 0.00 174.62 175.12 2uuu s VAL 464 N -0.16 0.03 0.71 3.82 0.11 -0.71 -1.18 120.40 123.03 2uuu s VAL 464 Ca 0.15 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 2uuu s VAL 464 Cb -0.13 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 2uuu s VAL 464 CO 0.04 -0.16 1.07 -0.94 -3.33 0.00 0.00 175.10 171.78 2uuu s SER 465 N -0.55 5.08 0.29 3.54 1.04 -1.26 -1.40 113.70 120.43 2uuu s SER 465 Ca -0.06 1.72 0.02 0.00 0.48 0.00 0.00 55.95 58.10 2uuu s SER 465 Cb -0.04 -2.51 0.56 0.00 0.10 0.00 0.00 66.02 64.13 2uuu s SER 465 CO 0.01 -1.64 1.85 1.88 0.98 0.00 0.00 173.24 176.32 2uuu h TYR 466 N -0.74 1.12 -0.21 5.02 -1.99 -1.61 -0.76 116.97 117.79 2uuu h TYR 466 Ca -0.44 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.33 2uuu h TYR 466 Cb 1.22 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 2uuu h TYR 466 CO 0.60 0.47 0.14 0.00 -0.00 0.00 0.00 178.16 179.37 2uuu h ALA 467 N 1.53 1.89 0.00 3.88 0.00 -1.92 -3.11 119.26 121.53 2uuu h ALA 467 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2uuu h ALA 467 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2uuu h ALA 467 CO -0.24 0.09 -0.80 0.09 0.00 0.00 0.00 179.25 178.40 2uuu n ASN 468 N -4.51 0.77 0.14 0.00 3.02 -0.85 -4.73 115.26 109.11 2uuu n ASN 468 Ca 0.00 -0.79 -0.14 0.00 -0.03 0.00 0.00 54.58 53.62 2uuu n ASN 468 Cb 0.10 1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 40.26 2uuu n ASN 468 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2uuu h LEU 469 N 0.00 -1.14 -0.64 3.41 5.85 -1.08 -1.50 115.31 120.21 2uuu h LEU 469 Ca 0.00 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 2uuu h LEU 469 Cb 0.39 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2uuu h LEU 469 CO 0.00 -0.48 -0.61 1.56 -0.34 0.00 0.00 178.44 178.56 2uuu h GLN 470 N -0.66 0.24 -0.27 1.25 4.20 -1.85 0.79 115.11 118.81 2uuu h GLN 470 Ca 0.01 -0.17 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 2uuu h GLN 470 Cb 0.67 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2uuu h GLN 470 CO -0.20 0.78 -0.17 1.79 -0.67 0.00 0.00 178.83 180.36 2uuu h THR 471 N 0.17 1.30 -0.27 -0.54 1.35 -1.87 -1.58 112.91 111.48 2uuu h THR 471 Ca -0.01 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 64.56 2uuu h THR 471 Cb 1.12 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2uuu h THR 471 CO 0.10 0.41 0.14 0.25 -0.25 0.00 0.00 175.52 176.16 2uuu h LEU 472 N 0.32 0.34 0.11 3.87 5.85 -1.00 0.74 115.31 125.55 2uuu h LEU 472 Ca 0.06 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2uuu h LEU 472 Cb 0.70 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2uuu h LEU 472 CO 0.05 0.35 -0.22 -0.25 -0.34 0.00 0.00 178.44 178.03 2uuu h TRP 473 N 0.31 -0.58 -0.33 1.25 7.01 -0.87 0.42 115.95 123.15 2uuu h TRP 473 Ca 0.09 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.07 2uuu h TRP 473 Cb 0.09 0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.38 2uuu h TRP 473 CO -0.03 -0.32 0.06 -0.22 -2.79 0.00 0.00 178.44 175.15 2uuu h LYS 474 N -0.41 0.53 -0.16 2.65 3.64 -1.19 -2.60 116.57 119.04 2uuu h LYS 474 Ca 0.03 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 2uuu h LYS 474 Cb 0.43 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 2uuu h LYS 474 CO -0.13 0.61 0.03 0.22 -2.27 0.00 0.00 179.45 177.92 2uuu h ASP 475 N 0.37 0.24 -0.02 4.20 3.58 -0.80 -1.43 116.42 122.56 2uuu h ASP 475 Ca 0.10 -0.25 0.02 0.00 0.42 0.00 0.00 57.03 57.32 2uuu h ASP 475 Cb 0.33 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2uuu h ASP 475 CO 0.00 0.43 -0.11 0.00 -2.88 0.00 0.00 179.24 176.68 2uuu h ALA 476 N 0.82 -0.10 -0.11 -0.78 0.00 -0.94 0.10 119.26 118.26 2uuu h ALA 476 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2uuu h ALA 476 Cb 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2uuu h ALA 476 CO 0.00 -0.59 -0.03 0.87 0.00 0.00 0.00 179.25 179.50 2uuu h LYS 477 N -0.18 -0.01 -0.65 0.00 1.57 -1.45 -0.58 116.57 115.28 2uuu h LYS 477 Ca 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2uuu h LYS 477 Cb 0.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2uuu h LYS 477 CO -0.13 -0.01 0.29 1.96 -0.57 0.00 0.00 179.45 181.00 2uuu h GLN 478 N -0.01 0.94 -0.16 3.15 4.20 -1.13 -2.75 115.11 119.35 2uuu h GLN 478 Ca 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2uuu h GLN 478 Cb 0.09 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2uuu h GLN 478 CO -0.11 0.77 0.03 1.15 -0.67 0.00 0.00 178.83 179.99 2uuu h THR 479 N 0.90 1.22 -0.31 -0.54 2.02 -0.49 -2.28 112.91 113.43 2uuu h THR 479 Ca 0.22 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.72 2uuu h THR 479 Cb 0.15 1.39 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 2uuu h THR 479 CO -0.02 0.21 0.11 0.15 0.37 0.00 0.00 175.52 176.34 2uuu h PHE 480 N 0.05 0.19 -0.05 3.16 3.57 -1.10 -1.40 116.94 121.36 2uuu h PHE 480 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 2uuu h PHE 480 Cb 0.30 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2uuu h PHE 480 CO 0.02 0.08 -0.00 0.28 -2.23 0.00 0.00 178.31 176.46 2uuu h VAL 481 N 0.24 1.26 -0.87 1.41 2.07 -1.46 -3.12 116.25 115.77 2uuu h VAL 481 Ca 0.14 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.90 2uuu h VAL 481 Cb 0.10 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2uuu h VAL 481 CO -0.14 0.22 0.56 0.50 0.02 0.00 0.00 177.57 178.73 2uuu h LYS 482 N -0.20 1.04 -0.65 1.57 1.63 -1.37 0.71 116.57 119.29 2uuu h LYS 482 Ca 0.02 -0.06 0.13 0.00 -0.85 0.00 0.00 60.65 59.89 2uuu h LYS 482 Cb 0.35 -0.23 -0.12 0.00 -0.60 0.00 0.00 32.23 31.62 2uuu h LYS 482 CO 0.00 0.69 -0.12 1.25 -3.45 0.00 0.00 179.45 177.82 2uuu h HIS 483 N 1.07 -0.27 0.13 1.91 2.76 -1.19 0.66 115.15 120.22 2uuu h HIS 483 Ca 0.36 0.06 -0.21 0.00 -2.20 0.00 0.00 60.37 58.37 2uuu h HIS 483 Cb 0.05 0.22 0.02 0.00 1.55 0.00 0.00 27.41 29.25 2uuu h HIS 483 CO -0.02 -0.26 -0.91 0.74 -1.30 0.00 0.00 177.93 176.18 2uuu h PHE 484 N 0.02 0.66 -0.83 5.26 -1.00 -1.48 -3.30 116.94 116.28 2uuu h PHE 484 Ca 0.32 -0.45 0.20 0.00 2.81 0.00 0.00 57.97 60.85 2uuu h PHE 484 Cb 0.51 -0.04 -0.12 0.00 3.61 0.00 0.00 35.95 39.91 2uuu h PHE 484 CO -0.49 1.33 0.28 -0.22 -1.61 0.00 0.00 178.31 177.60 2uuu h LYS 485 N -0.19 0.32 -0.02 1.51 3.64 -0.51 0.36 116.57 121.67 2uuu h LYS 485 Ca -0.15 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2uuu h LYS 485 Cb 1.68 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.43 2uuu h LYS 485 CO 0.17 0.21 0.02 -0.44 -2.27 0.00 0.00 179.45 177.14 2uuu h ASP 486 N 0.32 0.00 -0.26 4.20 3.32 -0.95 -1.68 116.42 121.38 2uuu h ASP 486 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 2uuu h ASP 486 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.47 2uuu h ASP 486 CO -0.54 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 176.98 2uuu n GLN 487 N -4.17 2.02 -1.97 3.56 6.02 0.12 -4.94 117.38 118.01 2uuu n GLN 487 Ca -0.02 -1.54 -0.09 0.00 -0.01 0.00 0.00 57.00 55.34 2uuu n GLN 487 Cb 0.11 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 2uuu n GLN 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uuu n GLY 488 N 1.26 0.23 3.18 1.08 0.00 -0.63 -5.05 105.19 105.26 2uuu n GLY 488 Ca 0.17 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 2uuu n GLY 488 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 489 N -2.42 1.87 0.52 -0.61 1.01 -0.73 -5.00 121.20 115.85 2uuu s ILE 489 Ca 0.00 -0.91 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 2uuu s ILE 489 Cb 0.00 -1.63 -0.07 0.00 0.01 0.00 0.00 42.46 40.78 2uuu s ILE 489 CO 0.00 0.52 1.08 -2.16 0.00 0.00 0.00 174.94 174.38 2uuu s PRO 490 N 0.42 3.54 0.06 2.79 0.04 -1.26 -3.06 135.00 137.52 2uuu s PRO 490 Ca -0.18 1.46 -0.21 0.00 0.04 0.00 0.00 61.00 62.11 2uuu s PRO 490 Cb -0.17 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2uuu s PRO 490 CO 0.08 -0.66 0.50 0.00 0.04 0.00 0.00 177.00 176.95 2uuu s ALA 491 N -1.93 -1.26 -0.03 8.56 0.00 -1.26 -3.88 121.76 121.96 2uuu s ALA 491 Ca 0.69 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.13 2uuu s ALA 491 Cb -0.20 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.35 2uuu s ALA 491 CO 0.25 -0.52 0.08 -0.46 0.00 0.00 0.00 175.76 175.11 2uuu s TRP 492 N -2.59 -0.08 -0.06 0.00 -0.00 -0.22 -4.90 118.94 111.08 2uuu s TRP 492 Ca -0.04 0.21 -0.05 0.00 -0.00 0.00 0.00 56.10 56.22 2uuu s TRP 492 Cb -0.01 0.03 0.02 0.00 -0.00 0.00 0.00 33.47 33.51 2uuu s TRP 492 CO -0.03 -0.04 0.15 -1.50 -0.00 0.00 0.00 176.95 175.53 2uuu s ILE 493 N 0.04 -0.01 0.38 5.86 2.07 -1.26 -0.68 121.20 127.60 2uuu s ILE 493 Ca -0.00 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.32 2uuu s ILE 493 Cb -0.01 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.33 2uuu s ILE 493 CO 0.00 0.02 0.14 0.00 -1.91 0.00 0.00 174.94 173.19 2uuu s ALA 495 N -3.30 -1.31 0.09 0.00 0.00 -1.26 -0.80 121.76 115.18 2uuu s ALA 495 Ca 0.28 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.70 2uuu s ALA 495 Cb 0.03 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2uuu s ALA 495 CO 0.16 -0.56 0.07 -3.38 0.00 0.00 0.00 175.76 172.05 2uuu s HIS 496 N -2.80 0.53 -0.16 0.00 -3.43 -0.58 -1.16 115.29 107.68 2uuu s HIS 496 Ca -0.03 -0.99 -0.02 0.00 -0.80 0.00 0.00 55.06 53.21 2uuu s HIS 496 Cb -0.00 -0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 30.81 2uuu s HIS 496 CO -0.05 -0.48 -0.09 0.42 -2.00 0.00 0.00 174.74 172.55 2uuu s ILE 497 N -3.95 3.31 -0.08 -5.38 1.01 0.12 -1.44 121.20 114.80 2uuu s ILE 497 Ca 0.12 -0.55 0.12 0.00 0.00 0.00 0.00 60.65 60.34 2uuu s ILE 497 Cb 0.07 -2.44 -0.18 0.00 0.01 0.00 0.00 42.46 39.92 2uuu s ILE 497 CO -0.06 0.49 0.15 -1.54 0.00 0.00 0.00 174.94 173.97 2uuu n SER 498 N 3.92 1.93 -3.72 3.58 3.41 -1.15 -1.70 113.62 119.89 2uuu n SER 498 Ca -0.18 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.29 2uuu n SER 498 Cb 0.52 1.14 -0.08 0.00 -0.26 0.00 0.00 64.21 65.53 2uuu n SER 498 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2uuu s HIS 499 N -2.56 -0.24 0.08 7.33 3.76 -1.26 -4.71 115.29 117.69 2uuu s HIS 499 Ca -0.06 0.35 0.06 0.00 -0.15 0.00 0.00 55.06 55.26 2uuu s HIS 499 Cb 0.06 0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.86 2uuu s HIS 499 CO 0.53 -0.44 -0.17 0.95 -0.85 0.00 0.00 174.74 174.76 2uuu s THR 500 N -1.49 1.36 0.49 1.30 -4.23 -1.26 -1.09 115.64 110.72 2uuu s THR 500 Ca -0.12 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 2uuu s THR 500 Cb -0.04 -1.26 0.01 0.00 1.34 0.00 0.00 72.50 72.54 2uuu s THR 500 CO 0.04 -0.11 0.04 0.00 -0.54 0.00 0.00 174.62 174.05 2uuu n TYR 501 N 1.33 0.94 -0.26 3.99 0.18 0.11 -4.96 117.16 118.49 2uuu n TYR 501 Ca -0.20 -2.38 0.06 0.00 1.88 0.00 0.00 57.90 57.26 2uuu n TYR 501 Cb 0.54 -0.33 0.20 0.00 -0.38 0.00 0.00 39.34 39.36 2uuu n TYR 501 CO 0.00 0.00 0.00 1.15 -2.08 0.00 0.00 176.86 175.93 2uuu h THR 502 N 1.18 0.53 0.00 -3.48 2.02 -2.01 -2.98 112.91 108.17 2uuu h THR 502 Ca -0.40 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 2uuu h THR 502 Cb 1.22 0.19 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 2uuu h THR 502 CO 0.66 0.06 -0.44 -3.20 0.37 0.00 0.00 175.52 172.96 2uuu n ASN 503 N -5.12 1.58 0.00 4.18 5.15 -1.26 -5.05 115.26 114.74 2uuu n ASN 503 Ca 0.15 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 51.00 2uuu n ASN 503 Cb 0.48 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 2uuu n ASN 503 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2uuu n GLY 504 N -0.82 -0.84 3.17 8.20 0.00 -1.13 -1.51 105.19 112.27 2uuu n GLY 504 Ca 0.14 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.30 2uuu n GLY 504 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2uuu s VAL 505 N -3.00 0.51 -0.29 1.61 -7.23 -0.49 0.09 120.40 111.60 2uuu s VAL 505 Ca 0.00 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 2uuu s VAL 505 Cb 0.00 -1.84 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2uuu s VAL 505 CO 0.00 -0.71 0.58 0.00 -0.31 0.00 0.00 175.10 174.66 2uuu s LEU 507 N 2.48 2.48 -0.14 0.00 2.96 0.96 -2.96 118.68 124.47 2uuu s LEU 507 Ca 0.23 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2uuu s LEU 507 Cb -0.15 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.02 2uuu s LEU 507 CO 0.11 0.17 -0.18 -0.47 -1.32 0.00 0.00 176.35 174.65 2uuu s TYR 508 N 0.33 2.38 -0.09 5.38 6.14 -0.52 -0.75 117.35 130.23 2uuu s TYR 508 Ca -0.14 -1.25 -0.04 0.00 0.64 0.00 0.00 57.07 56.28 2uuu s TYR 508 Cb -0.17 -1.67 -0.04 0.00 0.42 0.00 0.00 41.96 40.50 2uuu s TYR 508 CO 0.07 -0.62 0.09 -0.06 0.64 0.00 0.00 175.55 175.67 2uuu s PHE 509 N 1.09 3.42 -0.10 4.97 0.40 0.84 -1.53 117.98 127.07 2uuu s PHE 509 Ca -0.02 0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.71 2uuu s PHE 509 Cb -0.14 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2uuu s PHE 509 CO -0.06 0.63 -0.18 0.42 0.70 0.00 0.00 175.22 176.73 2uuu s ILE 510 N -1.03 1.62 0.01 0.64 1.01 0.02 -2.23 121.20 121.24 2uuu s ILE 510 Ca 0.16 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2uuu s ILE 510 Cb -0.12 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2uuu s ILE 510 CO 0.06 0.46 -0.03 0.72 0.00 0.00 0.00 174.94 176.15 2uuu s PHE 511 N 0.72 0.27 0.01 3.97 -0.71 -0.49 -0.44 117.98 121.31 2uuu s PHE 511 Ca -0.12 -0.25 -0.11 0.00 -1.04 0.00 0.00 56.93 55.41 2uuu s PHE 511 Cb -0.16 -0.18 0.01 0.00 -1.21 0.00 0.00 43.02 41.48 2uuu s PHE 511 CO 0.03 -0.07 0.23 0.00 -1.34 0.00 0.00 175.22 174.07 2uuu s ALA 512 N -0.65 -0.54 0.20 1.99 0.00 0.14 -1.16 121.76 121.73 2uuu s ALA 512 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 2uuu s ALA 512 Cb -0.05 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.25 2uuu s ALA 512 CO -0.00 -0.28 0.44 0.45 0.00 0.00 0.00 175.76 176.37 2uuu n SER 513 N 1.15 -1.20 -4.81 0.00 2.88 -1.01 -1.06 113.62 109.57 2uuu n SER 513 Ca -0.21 -1.81 -0.34 0.00 -1.33 0.00 0.00 58.87 55.18 2uuu n SER 513 Cb 0.57 1.99 -0.07 0.00 -0.75 0.00 0.00 64.21 65.95 2uuu n SER 513 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2uuu s LYS 514 N -2.05 4.29 0.69 -1.46 1.02 -1.25 -1.25 119.74 119.73 2uuu s LYS 514 Ca 0.09 1.07 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 2uuu s LYS 514 Cb -0.03 -2.46 0.01 0.00 -0.52 0.00 0.00 37.83 34.84 2uuu s LYS 514 CO 0.06 0.13 1.10 -0.65 -0.92 0.00 0.00 175.35 175.07 2uuu s GLN 515 N -2.72 2.68 0.00 1.68 -0.21 0.50 -4.79 119.66 116.81 2uuu s GLN 515 Ca 0.56 1.30 0.00 0.00 0.02 0.00 0.00 55.36 57.23 2uuu s GLN 515 Cb -0.13 -1.94 0.00 0.00 1.00 0.00 0.00 33.01 31.94 2uuu s GLN 515 CO 0.17 -1.33 0.00 0.27 -2.12 0.00 0.00 175.29 172.29 2uuu n ASN 516 N -2.73 0.00 -2.58 5.90 0.23 -1.26 -4.95 115.26 109.86 2uuu n ASN 516 Ca 0.10 -0.62 -0.27 0.00 -0.53 0.00 0.00 54.58 53.26 2uuu n ASN 516 Cb 0.52 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.22 2uuu n ASN 516 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2uuu n GLU 517 N -0.62 3.35 -2.14 -3.83 1.02 -1.26 -5.16 120.64 112.00 2uuu n GLU 517 Ca 0.00 -4.56 -0.02 0.00 -0.02 0.00 0.00 57.16 52.56 2uuu n GLU 517 Cb 0.00 -2.23 -0.01 0.00 -0.02 0.00 0.00 31.44 29.18 2uuu n GLU 517 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2uuu n ASP 520 N -0.42 -0.06 0.02 1.62 2.03 -1.26 -5.21 116.55 113.27 2uuu n ASP 520 Ca 0.37 -1.17 0.11 0.00 0.52 0.00 0.00 54.79 54.61 2uuu n ASP 520 Cb 0.61 0.14 0.46 0.00 -0.72 0.00 0.00 41.12 41.61 2uuu n ASP 520 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2uuu n MET 521 N -0.05 0.04 0.17 -0.67 1.56 -1.26 -4.18 117.12 112.73 2uuu n MET 521 Ca 0.01 0.16 0.08 0.00 -0.27 0.00 0.00 57.70 57.68 2uuu n MET 521 Cb 0.05 -1.56 0.59 0.00 2.15 0.00 0.00 33.22 34.44 2uuu n MET 521 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2uuu h ALA 522 N 2.68 1.96 -0.23 -5.12 0.00 -2.04 -2.69 119.26 113.83 2uuu h ALA 522 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2uuu h ALA 522 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2uuu h ALA 522 CO 0.00 0.02 -0.48 -0.56 0.00 0.00 0.00 179.25 178.23 2uuu h GLN 523 N 0.15 0.61 0.01 0.00 3.07 -2.00 -1.61 115.11 115.32 2uuu h GLN 523 Ca 0.06 -0.35 -0.19 0.00 0.09 0.00 0.00 58.65 58.26 2uuu h GLN 523 Cb 0.07 0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.63 2uuu h GLN 523 CO -0.01 0.95 -0.87 1.88 0.09 0.00 0.00 178.83 180.87 2uuu h TYR 524 N 0.48 0.13 -0.10 0.06 -1.99 -1.79 -2.46 116.97 111.31 2uuu h TYR 524 Ca 0.02 -0.08 -0.16 0.00 2.00 0.00 0.00 58.73 60.51 2uuu h TYR 524 Cb 1.02 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 2uuu h TYR 524 CO 0.04 0.91 -0.63 0.82 -0.00 0.00 0.00 178.16 179.31 2uuu h ILE 525 N 0.05 1.37 -0.16 -2.88 5.03 -1.48 -2.62 117.51 116.82 2uuu h ILE 525 Ca -0.03 -1.98 -0.22 0.00 -0.12 0.00 0.00 64.86 62.52 2uuu h ILE 525 Cb 1.52 1.97 0.01 0.00 -3.03 0.00 0.00 36.82 37.29 2uuu h ILE 525 CO 0.12 0.60 -0.76 -0.08 -0.68 0.00 0.00 178.15 177.35 2uuu h GLU 526 N 0.28 0.76 -0.24 2.37 4.81 -1.28 -2.29 114.58 118.98 2uuu h GLU 526 Ca -0.01 -0.61 -0.12 0.00 -0.13 0.00 0.00 59.36 58.49 2uuu h GLU 526 Cb 1.17 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2uuu h GLU 526 CO 0.11 1.22 -0.32 0.00 -0.73 0.00 0.00 179.01 179.29 2uuu h ALA 527 N 0.61 0.36 -0.89 2.92 0.00 -1.48 -1.65 119.26 119.12 2uuu h ALA 527 Ca -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.47 2uuu h ALA 527 Cb 1.38 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2uuu h ALA 527 CO 0.15 0.40 0.59 0.87 0.00 0.00 0.00 179.25 181.26 2uuu h LYS 528 N 0.35 1.15 -0.40 0.00 1.79 -1.55 -1.75 116.57 116.15 2uuu h LYS 528 Ca 0.03 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 2uuu h LYS 528 Cb 0.90 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 31.27 2uuu h LYS 528 CO 0.08 0.76 0.27 -0.22 -1.08 0.00 0.00 179.45 179.25 2uuu h LYS 529 N 1.18 0.53 -0.13 3.15 1.63 -1.22 0.15 116.57 121.86 2uuu h LYS 529 Ca 0.34 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 60.14 2uuu h LYS 529 Cb -0.09 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.38 2uuu h LYS 529 CO -0.09 0.35 -0.10 1.25 -3.45 0.00 0.00 179.45 177.41 2uuu h LEU 530 N 0.55 -0.33 -0.01 5.20 6.46 -0.96 -0.79 115.31 125.43 2uuu h LEU 530 Ca 0.15 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2uuu h LEU 530 Cb -0.06 0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.03 2uuu h LEU 530 CO -0.03 -0.14 0.00 0.24 -0.62 0.00 0.00 178.44 177.89 2uuu h MET 531 N -0.11 0.02 -0.56 1.25 2.86 -1.01 -2.12 114.93 115.26 2uuu h MET 531 Ca 0.08 -0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.82 2uuu h MET 531 Cb 0.24 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 2uuu h MET 531 CO -0.20 0.20 0.13 1.15 1.06 0.00 0.00 176.91 179.25 2uuu h THR 532 N -0.17 0.70 -0.32 2.22 2.02 -0.62 -1.21 112.91 115.52 2uuu h THR 532 Ca 0.00 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2uuu h THR 532 Cb 0.19 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2uuu h THR 532 CO -0.00 0.05 0.21 0.44 0.37 0.00 0.00 175.52 176.59 2uuu h ASP 533 N 0.27 0.38 -0.51 4.18 3.32 -1.01 -1.54 116.42 121.51 2uuu h ASP 533 Ca 0.28 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2uuu h ASP 533 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2uuu h ASP 533 CO -0.35 0.30 -0.06 0.40 -1.72 0.00 0.00 179.24 177.80 2uuu h ILE 534 N 0.43 1.27 0.01 0.35 1.08 -1.10 -0.97 117.51 118.58 2uuu h ILE 534 Ca 0.12 -1.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 2uuu h ILE 534 Cb -0.02 1.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.72 2uuu h ILE 534 CO -0.02 0.41 -0.02 0.40 -0.69 0.00 0.00 178.15 178.23 2uuu h ILE 535 N 0.80 0.94 -0.69 -0.67 2.04 -1.11 -2.65 117.51 116.17 2uuu h ILE 535 Ca 0.14 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.10 2uuu h ILE 535 Cb 0.60 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.55 2uuu h ILE 535 CO 0.04 0.00 0.32 0.15 0.00 0.00 0.00 178.15 178.65 2uuu h PHE 536 N -0.05 0.56 -1.14 1.37 3.04 -1.23 -1.85 116.94 117.65 2uuu h PHE 536 Ca 0.01 0.03 0.33 0.00 3.98 0.00 0.00 57.97 62.31 2uuu h PHE 536 Cb 0.05 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.37 2uuu h PHE 536 CO -0.09 0.18 0.81 -0.22 -2.02 0.00 0.00 178.31 176.96 2uuu h LYS 537 N 0.53 0.03 -0.51 1.11 3.64 -0.80 0.37 116.57 120.94 2uuu h LYS 537 Ca 0.35 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.67 2uuu h LYS 537 Cb 0.40 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2uuu h LYS 537 CO -0.29 0.02 0.06 0.66 -2.27 0.00 0.00 179.45 177.63 2uuu n TYR 538 N -4.23 1.80 -1.61 1.91 4.02 -0.92 -4.93 117.16 113.19 2uuu n TYR 538 Ca 0.25 -0.92 -0.20 0.00 -0.01 0.00 0.00 57.90 57.02 2uuu n TYR 538 Cb 1.18 -0.50 -0.08 0.00 -0.02 0.00 0.00 39.34 39.92 2uuu n TYR 538 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2uuu n GLY 539 N 0.04 1.83 3.75 2.72 0.00 0.13 -4.88 105.19 108.78 2uuu n GLY 539 Ca 0.29 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2uuu n GLY 539 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uuu s GLY 540 N -2.76 2.85 0.07 -0.02 0.00 -0.74 -4.87 107.32 101.84 2uuu s GLY 540 Ca 0.00 1.21 -0.25 0.00 0.00 0.00 0.00 44.72 45.68 2uuu s GLY 540 CO 0.00 1.68 0.77 -1.35 0.00 0.00 0.00 173.10 174.20 2uuu s SER 541 N -1.19 7.25 -0.11 1.64 1.04 -0.32 -4.32 113.70 117.69 2uuu s SER 541 Ca 0.73 1.49 0.02 0.00 0.48 0.00 0.00 55.95 58.67 2uuu s SER 541 Cb -0.37 -2.47 -0.01 0.00 0.10 0.00 0.00 66.02 63.27 2uuu s SER 541 CO 0.42 0.06 -0.19 -0.76 0.98 0.00 0.00 173.24 173.76 2uuu s LEU 542 N -0.31 2.40 0.00 2.42 1.43 -1.26 -4.03 118.68 119.33 2uuu s LEU 542 Ca 0.38 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2uuu s LEU 542 Cb -0.21 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.50 2uuu s LEU 542 CO 0.24 0.18 0.00 -0.24 0.23 0.00 0.00 176.35 176.75 2uuu n SER 543 N 3.42 0.00 0.00 2.29 2.88 -1.26 -5.15 113.62 115.80 2uuu n SER 543 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2uuu n SER 543 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2uuu n SER 543 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2uuu n THR 561 N 0.00 0.02 -2.87 2.46 5.66 -1.26 -5.21 114.28 113.08 2uuu n THR 561 Ca 0.00 0.12 -0.26 0.00 -3.05 0.00 0.00 64.05 60.86 2uuu n THR 561 Cb 0.00 -1.12 0.02 0.00 -1.55 0.00 0.00 70.33 67.68 2uuu n THR 561 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2uuu n ARG 562 N -0.65 -1.30 0.08 1.09 5.12 -1.26 -4.84 116.66 114.90 2uuu n ARG 562 Ca 0.00 0.91 0.11 0.00 -1.93 0.00 0.00 57.85 56.94 2uuu n ARG 562 Cb 0.12 -1.42 0.43 0.00 -1.16 0.00 0.00 32.46 30.44 2uuu n ARG 562 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uuu n GLY 563 N -0.33 -1.24 0.14 -0.13 0.00 -1.26 -2.85 105.19 99.52 2uuu n GLY 563 Ca -0.09 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2uuu n GLY 563 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2uuu h TRP 564 N 0.00 0.00 -0.13 1.61 4.06 -2.00 -3.11 115.95 116.38 2uuu h TRP 564 Ca 0.00 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2uuu h TRP 564 Cb 0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 2uuu h TRP 564 CO 0.00 0.00 0.03 0.82 -3.56 0.00 0.00 178.44 175.73 2uuu h ILE 565 N 0.00 1.20 -0.61 1.49 2.04 -1.89 0.11 117.51 119.85 2uuu h ILE 565 Ca 0.00 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2uuu h ILE 565 Cb 0.44 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2uuu h ILE 565 CO 0.00 0.18 0.38 0.78 0.00 0.00 0.00 178.15 179.49 2uuu h ASN 566 N 0.00 0.71 -0.05 1.72 2.35 -1.76 -0.52 115.58 118.03 2uuu h ASN 566 Ca 0.04 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2uuu h ASN 566 Cb 0.25 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2uuu h ASN 566 CO 0.00 0.54 0.03 0.58 -1.65 0.00 0.00 177.43 176.92 2uuu h VAL 567 N 0.83 1.11 -0.74 2.81 2.07 -1.47 -1.86 116.25 118.98 2uuu h VAL 567 Ca 0.22 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2uuu h VAL 567 Cb -0.06 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2uuu h VAL 567 CO -0.04 0.09 0.31 0.22 0.02 0.00 0.00 177.57 178.17 2uuu h TYR 568 N -0.03 1.12 -0.81 1.57 5.03 -0.70 -2.00 116.97 121.15 2uuu h TYR 568 Ca 0.02 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.25 2uuu h TYR 568 Cb 0.12 -0.34 -0.04 0.00 1.55 0.00 0.00 36.73 38.02 2uuu h TYR 568 CO -0.03 0.85 0.51 0.00 -1.32 0.00 0.00 178.16 178.17 2uuu h ARG 569 N 1.06 1.08 -0.04 1.82 2.47 -1.01 0.95 114.38 120.71 2uuu h ARG 569 Ca 0.25 -0.08 0.03 0.00 -1.26 0.00 0.00 59.98 58.92 2uuu h ARG 569 Cb 0.19 -0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 28.23 2uuu h ARG 569 CO -0.02 0.73 -0.21 1.03 0.56 0.00 0.00 179.97 182.06 2uuu h SER 570 N 1.10 -0.62 -0.05 7.04 0.87 -1.10 0.81 113.55 121.60 2uuu h SER 570 Ca 0.29 0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.97 2uuu h SER 570 Cb -0.09 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.11 2uuu h SER 570 CO -0.06 -0.27 -0.10 -0.07 -0.53 0.00 0.00 176.83 175.80 2uuu h LEU 571 N -0.31 -0.30 -0.17 2.23 3.38 -0.96 -1.50 115.31 117.69 2uuu h LEU 571 Ca 0.07 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2uuu h LEU 571 Cb 0.41 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2uuu h LEU 571 CO -0.22 -0.14 0.08 0.50 0.09 0.00 0.00 178.44 178.75 2uuu h LYS 572 N -0.15 0.25 0.00 1.13 1.63 -0.74 -0.99 116.57 117.70 2uuu h LYS 572 Ca 0.05 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2uuu h LYS 572 Cb 0.22 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 2uuu h LYS 572 CO -0.13 0.30 -0.25 0.93 -3.45 0.00 0.00 179.45 176.84 2uuu h GLU 573 N 0.14 0.00 0.05 1.90 5.08 -0.79 0.17 114.58 121.13 2uuu h GLU 573 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2uuu h GLU 573 Cb 0.14 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2uuu h GLU 573 CO -0.01 0.25 -0.52 1.15 -1.00 0.00 0.00 179.01 178.88 2uuu h THR 574 N 0.00 1.52 0.12 1.13 2.02 -1.10 -3.11 112.91 113.49 2uuu h THR 574 Ca -0.00 -2.22 -0.27 0.00 0.77 0.00 0.00 66.41 64.68 2uuu h THR 574 Cb 0.44 2.92 0.01 0.00 -1.74 0.00 0.00 68.15 69.78 2uuu h THR 574 CO 0.03 0.62 -1.21 0.40 0.37 0.00 0.00 175.52 175.74 2uuu h ILE 575 N -0.38 1.45 -2.05 3.11 2.04 -1.12 -3.41 117.51 117.14 2uuu h ILE 575 Ca -0.08 -2.87 -0.57 0.00 1.00 0.00 0.00 64.86 62.35 2uuu h ILE 575 Cb 1.31 2.84 -0.39 0.00 -0.74 0.00 0.00 36.82 39.84 2uuu h ILE 575 CO 0.10 0.84 -1.04 -0.67 0.00 0.00 0.00 178.15 177.38 2uuu n ASP 576 N -3.61 0.51 0.30 1.72 2.03 0.60 -3.13 116.55 114.98 2uuu n ASP 576 Ca -0.09 -2.75 0.19 0.00 0.52 0.00 0.00 54.79 52.66 2uuu n ASP 576 Cb 0.99 -0.64 0.95 0.00 -0.72 0.00 0.00 41.12 41.71 2uuu n ASP 576 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2uuu h PRO 577 N 4.15 0.00 -0.28 -0.67 0.13 -1.67 -1.59 132.00 132.07 2uuu h PRO 577 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2uuu h PRO 577 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2uuu h PRO 577 CO 0.49 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 179.92 2uuu n LYS 578 N -3.24 2.24 -3.87 0.86 5.02 -1.26 -4.97 118.16 112.94 2uuu n LYS 578 Ca -0.02 -1.86 -0.24 0.00 -2.02 0.00 0.00 58.31 54.18 2uuu n LYS 578 Cb 0.17 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 2uuu n LYS 578 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2uuu n ASP 579 N 1.09 -0.75 0.10 4.39 4.64 -0.60 -4.91 116.55 120.51 2uuu n ASP 579 Ca 0.18 -0.93 0.12 0.00 -1.38 0.00 0.00 54.79 52.77 2uuu n ASP 579 Cb 0.52 -3.43 0.06 0.00 -1.04 0.00 0.00 41.12 37.22 2uuu n ASP 579 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 2uuu h ILE 580 N -1.85 0.00 -3.48 5.18 3.07 -1.88 -3.41 117.51 115.14 2uuu h ILE 580 Ca -0.62 -0.84 -0.61 0.00 1.55 0.00 0.00 64.86 64.34 2uuu h ILE 580 Cb 1.37 1.37 -0.12 0.00 -0.27 0.00 0.00 36.82 39.18 2uuu h ILE 580 CO 0.61 0.00 0.51 0.00 -1.05 0.00 0.00 178.15 178.22 2uuu n ASN 582 N 7.14 -2.25 -4.71 0.00 5.15 -0.33 -4.30 115.26 115.96 2uuu n ASN 582 Ca 0.03 -0.63 -0.34 0.00 -0.60 0.00 0.00 54.58 53.04 2uuu n ASN 582 Cb 0.48 -0.83 0.11 0.00 -0.53 0.00 0.00 39.78 39.01 2uuu n ASN 582 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2uuu s PRO 583 N -5.44 1.93 -1.10 1.20 0.04 -1.26 -4.05 135.00 126.32 2uuu s PRO 583 Ca 0.18 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 2uuu s PRO 583 Cb -0.10 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2uuu s PRO 583 CO 0.50 -1.99 0.10 0.54 0.04 0.00 0.00 177.00 176.19 2uuu n ARG 584 N -2.99 -1.61 -4.67 4.56 1.74 -1.26 -4.89 116.66 107.54 2uuu n ARG 584 Ca 0.13 0.63 -0.33 0.00 -0.77 0.00 0.00 57.85 57.50 2uuu n ARG 584 Cb 0.50 -4.85 -0.12 0.00 -1.02 0.00 0.00 32.46 26.98 2uuu n ARG 584 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2uuu s LYS 585 N -4.82 2.93 0.00 5.56 -0.14 -1.26 -5.09 119.74 116.92 2uuu s LYS 585 Ca 0.05 -0.59 0.28 0.00 -1.36 0.00 0.00 55.97 54.35 2uuu s LYS 585 Cb -0.02 -2.60 1.69 0.00 -1.68 0.00 0.00 37.83 35.22 2uuu s LYS 585 CO 0.06 0.53 2.03 1.28 -0.76 0.00 0.00 175.35 178.50