#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuu s GLY -2 N 0.00 2.03 0.53 -5.12 0.00 -1.26 -5.00 107.32 98.50 2uuu s GLY -2 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.74 2uuu s GLY -2 CO 0.00 0.53 1.34 -1.14 0.00 0.00 0.00 173.10 173.83 2uuu n SER -1 N -1.98 2.65 -4.70 1.64 3.41 -1.26 -4.97 113.62 108.42 2uuu n SER -1 Ca 0.07 1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 59.37 2uuu n SER -1 Cb 0.53 -1.56 0.15 0.00 -0.26 0.00 0.00 64.21 63.07 2uuu n SER -1 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2uuu s PRO 9 N -2.77 1.34 0.25 4.33 0.02 -1.26 -4.90 135.00 132.01 2uuu s PRO 9 Ca 0.70 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.91 2uuu s PRO 9 Cb -0.43 -1.77 -0.13 0.00 0.02 0.00 0.00 34.50 32.20 2uuu s PRO 9 CO 0.51 -2.39 1.47 0.36 -0.33 0.00 0.00 177.00 176.63 2uuu n LYS 10 N -3.97 2.26 -0.94 5.54 2.85 -1.26 -2.25 118.16 120.39 2uuu n LYS 10 Ca 0.12 0.80 0.00 0.00 -1.05 0.00 0.00 58.31 58.18 2uuu n LYS 10 Cb 0.52 -2.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.40 2uuu n LYS 10 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2uuu n GLU 11 N 2.12 -0.09 -1.70 -1.58 1.02 -1.26 -5.02 120.64 114.12 2uuu n GLU 11 Ca 0.11 0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 2uuu n GLU 11 Cb 0.33 -2.98 -0.03 0.00 -0.02 0.00 0.00 31.44 28.74 2uuu n GLU 11 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2uuu n HIS 12 N -2.22 2.54 -4.98 -0.32 -0.00 -0.95 -5.03 115.22 104.26 2uuu n HIS 12 Ca 0.00 0.25 -0.28 0.00 0.46 0.00 0.00 57.72 58.14 2uuu n HIS 12 Cb 0.02 -2.57 -0.15 0.00 -0.12 0.00 0.00 29.99 27.17 2uuu n HIS 12 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2uuu s ILE 13 N 0.46 1.85 0.55 3.57 1.01 -1.26 -5.03 121.20 122.36 2uuu s ILE 13 Ca 0.71 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 2uuu s ILE 13 Cb -0.57 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 2uuu s ILE 13 CO 0.43 0.41 1.00 -1.81 0.00 0.00 0.00 174.94 174.97 2uuu s ASP 14 N -0.83 6.44 0.44 3.58 1.01 -1.26 -4.96 116.67 121.09 2uuu s ASP 14 Ca 0.09 1.54 0.17 0.00 0.71 0.00 0.00 52.55 55.06 2uuu s ASP 14 Cb -0.09 -2.50 1.01 0.00 1.01 0.00 0.00 42.92 42.35 2uuu s ASP 14 CO 0.00 -0.72 1.96 -0.07 0.21 0.00 0.00 175.17 176.56 2uuu h LEU 15 N 0.51 0.00 -2.22 1.23 3.38 -1.98 -1.61 115.31 114.61 2uuu h LEU 15 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2uuu h LEU 15 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2uuu h LEU 15 CO 0.61 0.22 0.00 0.10 0.09 0.00 0.00 178.44 179.47 2uuu h TYR 16 N 0.00 0.00 0.00 1.13 -0.00 -1.93 -0.82 116.97 115.35 2uuu h TYR 16 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2uuu h TYR 16 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.15 2uuu h TYR 16 CO 0.00 0.00 -0.74 1.04 -0.00 0.00 0.00 178.16 178.46 2uuu n GLN 17 N -3.06 0.17 -0.00 0.10 6.02 -0.61 -4.21 117.38 115.78 2uuu n GLN 17 Ca -0.01 0.02 0.09 0.00 -0.01 0.00 0.00 57.00 57.09 2uuu n GLN 17 Cb 0.18 -1.58 -0.11 0.00 1.02 0.00 0.00 30.24 29.75 2uuu n GLN 17 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2uuu n GLN 18 N -1.81 0.84 -4.37 -1.09 6.02 -0.39 -4.92 117.38 111.66 2uuu n GLN 18 Ca 0.04 -0.04 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2uuu n GLN 18 Cb 0.40 -1.39 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.86 4.25 0.34 5.09 1.01 -0.73 -1.65 121.20 126.65 2uuu s ILE 19 Ca 0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.14 2uuu s ILE 19 Cb 0.14 -2.80 -0.11 0.00 0.01 0.00 0.00 42.46 39.69 2uuu s ILE 19 CO 0.76 0.59 1.53 0.29 0.00 0.00 0.00 174.94 178.11 2uuu n LYS 20 N 2.36 2.67 0.02 2.79 5.02 0.02 -4.80 118.16 126.23 2uuu n LYS 20 Ca -0.18 0.94 0.12 0.00 -2.02 0.00 0.00 58.31 57.17 2uuu n LYS 20 Cb 0.53 -2.69 0.27 0.00 -0.02 0.00 0.00 35.03 33.13 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 1.16 0.16 -1.96 2.13 4.27 -1.26 -3.94 117.44 118.00 2uuu n TRP 21 Ca 0.04 0.05 0.04 0.00 -3.89 0.00 0.00 57.50 53.74 2uuu n TRP 21 Cb 0.38 -0.40 0.06 0.00 -1.36 0.00 0.00 31.31 29.99 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 -1.68 0.95 -0.14 -0.67 6.94 -1.26 -4.85 115.26 114.55 2uuu n ASN 22 Ca 0.05 -2.45 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 2uuu n ASN 22 Cb 0.37 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 2uuu n ASN 22 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2uuu n GLY 23 N -0.22 2.88 3.74 4.83 0.00 -1.25 -4.86 105.19 110.31 2uuu n GLY 23 Ca 0.07 -0.80 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.84 3.29 0.00 1.61 -0.11 -1.26 -4.54 118.94 114.09 2uuu s TRP 24 Ca 0.00 0.28 0.00 0.00 1.22 0.00 0.00 56.10 57.60 2uuu s TRP 24 Cb 0.00 -1.84 0.00 0.00 -1.50 0.00 0.00 33.47 30.13 2uuu s TRP 24 CO 0.00 0.53 0.00 0.41 -4.62 0.00 0.00 176.95 173.27 2uuu n GLY 25 N 2.14 -0.75 3.71 5.86 0.00 -1.26 -4.57 105.19 110.32 2uuu n GLY 25 Ca -0.19 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 6.51 0.57 1.61 -1.08 -1.26 -0.80 116.67 118.21 2uuu s ASP 26 Ca 0.00 2.68 0.27 0.00 -0.52 0.00 0.00 52.55 54.98 2uuu s ASP 26 Cb 0.00 -2.58 1.56 0.00 -1.46 0.00 0.00 42.92 40.44 2uuu s ASP 26 CO 0.00 -0.91 2.07 0.71 0.52 0.00 0.00 175.17 177.55 2uuu h THR 27 N 4.30 0.56 -0.01 1.71 1.35 -1.62 -2.10 112.91 117.10 2uuu h THR 27 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2uuu h THR 27 Cb 1.21 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2uuu h THR 27 CO 0.94 0.00 -0.04 0.54 -0.25 0.00 0.00 175.52 176.70 2uuu n ARG 28 N -3.97 1.19 -4.90 4.72 1.74 -1.26 -4.85 116.66 109.32 2uuu n ARG 28 Ca 0.03 -0.48 -0.29 0.00 -0.77 0.00 0.00 57.85 56.34 2uuu n ARG 28 Cb 0.39 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.14 2.54 -0.19 5.56 2.20 -0.79 -3.40 119.74 123.52 2uuu s LYS 29 Ca 0.38 -0.70 -0.31 0.00 -0.36 0.00 0.00 55.97 54.98 2uuu s LYS 29 Cb 0.21 -1.99 0.15 0.00 -1.51 0.00 0.00 37.83 34.69 2uuu s LYS 29 CO 0.39 0.09 1.14 -0.59 -0.36 0.00 0.00 175.35 176.02 2uuu s PHE 30 N 0.55 -0.22 0.31 4.03 -0.71 -0.17 -4.73 117.98 117.04 2uuu s PHE 30 Ca -0.15 0.30 -0.14 0.00 -1.04 0.00 0.00 56.93 55.89 2uuu s PHE 30 Cb -0.17 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.04 2uuu s PHE 30 CO 0.05 -0.24 0.72 -0.51 -1.34 0.00 0.00 175.22 173.90 2uuu s LEU 31 N -1.49 4.07 0.10 -1.99 1.43 -1.26 -1.01 118.68 118.54 2uuu s LEU 31 Ca 0.05 1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 54.18 2uuu s LEU 31 Cb -0.01 -4.04 0.05 0.00 0.03 0.00 0.00 46.19 42.23 2uuu s LEU 31 CO -0.04 -0.20 0.50 -1.38 0.23 0.00 0.00 176.35 175.47 2uuu s HIS 32 N -1.97 -0.39 -0.27 0.29 -3.43 -0.30 -4.87 115.29 104.34 2uuu s HIS 32 Ca 0.53 0.24 -0.18 0.00 -0.80 0.00 0.00 55.06 54.86 2uuu s HIS 32 Cb -0.10 0.38 -0.02 0.00 -1.43 0.00 0.00 32.58 31.40 2uuu s HIS 32 CO 0.18 -0.72 0.52 -1.14 -2.00 0.00 0.00 174.74 171.58 2uuu s GLN 33 N -3.25 4.01 0.34 -0.38 0.74 -1.26 -1.06 119.66 118.81 2uuu s GLN 33 Ca -0.01 0.27 -0.27 0.00 0.05 0.00 0.00 55.36 55.40 2uuu s GLN 33 Cb 0.00 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.35 2uuu s GLN 33 CO -0.08 -0.39 1.14 -0.51 -0.55 0.00 0.00 175.29 174.90 2uuu s LEU 34 N 2.33 4.36 -0.02 3.68 1.43 0.14 -4.94 118.68 125.66 2uuu s LEU 34 Ca 0.21 2.31 0.05 0.00 -1.03 0.00 0.00 54.13 55.67 2uuu s LEU 34 Cb -0.16 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 2uuu s LEU 34 CO 0.10 -0.42 -0.16 -0.54 0.23 0.00 0.00 176.35 175.56 2uuu s LYS 35 N -1.93 1.36 0.00 1.70 1.02 -1.26 -0.70 119.74 119.93 2uuu s LYS 35 Ca 0.51 -0.58 0.29 0.00 0.02 0.00 0.00 55.97 56.22 2uuu s LYS 35 Cb -0.31 -1.30 1.35 0.00 -0.52 0.00 0.00 37.83 37.06 2uuu s LYS 35 CO 0.40 0.34 1.92 -0.35 -0.92 0.00 0.00 175.35 176.73 2uuu n PRO 36 N 2.74 1.30 0.18 -1.68 -0.04 -1.26 -4.93 135.00 131.30 2uuu n PRO 36 Ca -0.15 -0.54 0.04 0.00 -0.04 0.00 0.00 63.50 62.81 2uuu n PRO 36 Cb 0.54 -1.49 0.43 0.00 -0.04 0.00 0.00 33.50 32.94 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 1.31 0.07 0.00 3.54 4.64 -1.99 -3.46 113.55 117.66 2uuu h SER 37 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2uuu h SER 37 Cb 0.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2uuu h SER 37 CO 0.00 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 2uuu n GLY 38 N -0.84 0.87 3.74 -0.77 0.00 0.12 -5.02 105.19 103.29 2uuu n GLY 38 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.46 3.26 0.14 2.61 2.01 -1.23 -4.65 115.64 114.33 2uuu s THR 39 Ca 0.00 1.04 -0.26 0.00 0.31 0.00 0.00 61.69 62.78 2uuu s THR 39 Cb 0.00 -3.66 -0.07 0.00 0.01 0.00 0.00 72.50 68.77 2uuu s THR 39 CO 0.00 0.16 0.80 -0.63 -0.69 0.00 0.00 174.62 174.25 2uuu s ILE 40 N 0.09 4.43 0.05 1.82 1.01 -1.26 0.28 121.20 127.61 2uuu s ILE 40 Ca 0.56 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.96 2uuu s ILE 40 Cb -0.36 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 2uuu s ILE 40 CO 0.38 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.74 2uuu s ALA 41 N -0.87 0.58 -0.16 9.38 0.00 -0.22 0.24 121.76 130.71 2uuu s ALA 41 Ca 0.37 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 2uuu s ALA 41 Cb -0.23 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2uuu s ALA 41 CO 0.26 -0.12 -0.04 1.41 0.00 0.00 0.00 175.76 177.27 2uuu s MET 42 N -2.26 3.66 -0.08 0.00 1.75 -0.21 -1.15 119.30 121.00 2uuu s MET 42 Ca -0.05 -0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 53.86 2uuu s MET 42 Cb -0.05 -2.91 -0.03 0.00 2.84 0.00 0.00 34.83 34.68 2uuu s MET 42 CO -0.02 0.23 -0.02 0.99 -0.65 0.00 0.00 175.02 175.55 2uuu s THR 43 N 0.38 4.10 0.23 10.11 2.01 -0.18 -1.05 115.64 131.25 2uuu s THR 43 Ca -0.04 -0.33 0.04 0.00 0.31 0.00 0.00 61.69 61.68 2uuu s THR 43 Cb -0.14 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.60 2uuu s THR 43 CO 0.03 0.60 -0.03 0.42 -0.69 0.00 0.00 174.62 174.95 2uuu s THR 44 N -0.80 1.19 0.63 -0.82 -4.23 -0.44 -1.00 115.64 110.17 2uuu s THR 44 Ca 0.12 -2.06 0.37 0.00 -1.18 0.00 0.00 61.69 58.94 2uuu s THR 44 Cb -0.11 -2.31 0.40 0.00 1.34 0.00 0.00 72.50 71.82 2uuu s THR 44 CO 0.02 -0.37 2.31 1.55 -0.54 0.00 0.00 174.62 177.60 2uuu h PRO 45 N 2.46 0.00 0.00 3.99 0.13 -1.98 -3.01 132.00 133.59 2uuu h PRO 45 Ca -0.38 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.55 2uuu h PRO 45 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2uuu h PRO 45 CO 0.65 0.00 -1.29 1.05 -0.23 0.00 0.00 178.00 178.17 2uuu h GLU 46 N 0.00 0.00 -2.71 0.86 9.09 -1.96 -3.47 114.58 116.39 2uuu h GLU 46 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.29 2uuu h GLU 46 Cb 0.01 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 26.85 2uuu h GLU 46 CO -0.00 0.45 -0.30 0.54 0.05 0.00 0.00 179.01 179.74 2uuu s VAL 47 N -2.83 -0.02 0.20 -1.06 0.11 -1.14 -5.17 120.40 110.50 2uuu s VAL 47 Ca -0.02 0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 58.96 2uuu s VAL 47 Cb 0.08 -0.57 -0.07 0.00 -1.53 0.00 0.00 36.38 34.29 2uuu s VAL 47 CO 0.81 0.03 0.60 -0.55 -3.33 0.00 0.00 175.10 172.66 2uuu s SER 48 N 1.08 6.82 -1.24 3.54 0.15 -1.26 -1.33 113.70 121.48 2uuu s SER 48 Ca -0.07 1.14 -0.23 0.00 0.70 0.00 0.00 55.95 57.49 2uuu s SER 48 Cb -0.07 -2.31 0.02 0.00 -1.71 0.00 0.00 66.02 61.94 2uuu s SER 48 CO -0.09 0.02 0.64 -1.20 1.20 0.00 0.00 173.24 173.81 2uuu n SER 49 N 0.47 -3.71 -4.62 5.45 7.64 -1.18 -4.92 113.62 112.74 2uuu n SER 49 Ca -0.03 -1.15 -0.43 0.00 1.01 0.00 0.00 58.87 58.27 2uuu n SER 49 Cb 0.52 -2.50 -0.03 0.00 -1.01 0.00 0.00 64.21 61.19 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 -3.63 4.55 0.46 0.44 1.01 -0.21 -4.83 120.40 118.19 2uuu s VAL 50 Ca 0.39 1.41 -0.24 0.00 0.00 0.00 0.00 61.98 63.53 2uuu s VAL 50 Cb -0.18 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 2uuu s VAL 50 CO 0.92 -0.52 1.29 -2.65 0.00 0.00 0.00 175.10 174.14 2uuu n PRO 51 N 6.82 1.87 -3.72 2.72 -0.02 -1.26 -1.05 135.00 140.37 2uuu n PRO 51 Ca 0.09 0.67 -0.30 0.00 -2.02 0.00 0.00 63.50 61.94 2uuu n PRO 51 Cb 0.48 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 2uuu n PRO 51 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2uuu n LEU 52 N -0.09 3.59 0.27 2.45 4.77 0.14 -1.59 117.00 126.54 2uuu n LEU 52 Ca 0.07 -5.24 0.18 0.00 -0.03 0.00 0.00 56.01 51.00 2uuu n LEU 52 Cb 0.41 -0.85 0.88 0.00 -2.33 0.00 0.00 43.42 41.53 2uuu n LEU 52 CO 0.58 1.76 1.04 -0.65 -1.33 0.00 0.00 177.39 178.79 2uuu h PRO 53 N 5.31 0.00 0.00 3.23 0.11 -1.78 -1.82 132.00 137.05 2uuu h PRO 53 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2uuu h PRO 53 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2uuu h PRO 53 CO 0.80 0.00 -0.64 0.43 -0.21 0.00 0.00 178.00 178.38 2uuu n SER 54 N -2.89 0.59 0.01 -2.05 7.64 -1.26 -4.52 113.62 111.14 2uuu n SER 54 Ca -0.01 -0.24 -0.17 0.00 1.01 0.00 0.00 58.87 59.45 2uuu n SER 54 Cb 0.17 0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 2uuu n SER 54 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2uuu h LEU 55 N 0.00 0.85 -0.69 -3.43 5.85 -1.17 -2.66 115.31 114.06 2uuu h LEU 55 Ca 0.00 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 2uuu h LEU 55 Cb 0.57 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2uuu h LEU 55 CO 0.00 1.40 0.40 -0.09 -0.34 0.00 0.00 178.44 179.82 2uuu h ARG 56 N 0.44 0.94 -0.10 1.25 2.43 -1.79 -2.39 114.38 115.16 2uuu h ARG 56 Ca -0.08 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 2uuu h ARG 56 Cb 1.51 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2uuu h ARG 56 CO 0.17 0.68 -0.35 0.78 -1.51 0.00 0.00 179.97 179.74 2uuu h GLY 57 N 0.93 0.22 0.76 2.80 0.00 -1.82 -0.18 103.07 105.79 2uuu h GLY 57 Ca 0.24 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2uuu h GLY 57 CO -0.04 0.17 -0.03 -2.75 0.00 0.00 0.00 176.54 173.89 2uuu h PHE 58 N 0.18 -0.07 -0.54 5.60 3.04 -1.12 -1.27 116.94 122.76 2uuu h PHE 58 Ca 0.02 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2uuu h PHE 58 Cb 0.71 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.21 2uuu h PHE 58 CO 0.01 0.18 0.35 0.82 -2.02 0.00 0.00 178.31 177.65 2uuu h ILE 59 N -0.32 1.12 -0.17 1.41 2.04 -1.25 -1.77 117.51 118.56 2uuu h ILE 59 Ca -0.01 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.66 2uuu h ILE 59 Cb 0.29 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 2uuu h ILE 59 CO 0.01 0.13 -0.19 0.50 0.00 0.00 0.00 178.15 178.60 2uuu h LYS 60 N 0.71 -0.21 -0.42 2.37 3.64 -0.95 -0.50 116.57 121.21 2uuu h LYS 60 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 2uuu h LYS 60 Cb -0.06 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2uuu h LYS 60 CO -0.06 -0.14 0.28 -0.22 -2.27 0.00 0.00 179.45 177.04 2uuu h LYS 61 N -0.22 0.56 0.15 1.90 3.64 -1.00 -3.13 116.57 118.46 2uuu h LYS 61 Ca 0.11 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.17 2uuu h LYS 61 Cb 0.39 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2uuu h LYS 61 CO -0.30 0.37 -1.29 0.93 -2.27 0.00 0.00 179.45 176.89 2uuu h GLU 62 N 0.57 0.33 -2.04 1.90 4.39 -1.13 -3.38 114.58 115.22 2uuu h GLU 62 Ca 0.16 -0.56 -0.56 0.00 0.34 0.00 0.00 59.36 58.73 2uuu h GLU 62 Cb -0.06 0.21 -0.42 0.00 -0.10 0.00 0.00 28.75 28.38 2uuu h GLU 62 CO -0.04 1.27 -0.77 1.28 -1.16 0.00 0.00 179.01 179.60 2uuu n LEU 63 N -3.57 3.85 0.00 1.33 4.77 -0.21 -4.48 117.00 118.69 2uuu n LEU 63 Ca -0.10 -5.41 0.00 0.00 -0.03 0.00 0.00 56.01 50.47 2uuu n LEU 63 Cb 1.04 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 2uuu n LEU 63 CO 0.55 2.29 0.00 0.35 -1.33 0.00 0.00 177.39 179.25 2uuu n THR 64 N -0.21 0.00 -0.43 -5.08 -2.24 -1.19 -4.85 114.28 100.29 2uuu n THR 64 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2uuu n THR 64 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2uuu n THR 64 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2uuu n LYS 71 N 0.00 -0.91 -1.66 -0.78 4.76 -1.26 -4.78 118.16 113.53 2uuu n LYS 71 Ca 0.00 0.75 -0.49 0.00 -2.87 0.00 0.00 58.31 55.71 2uuu n LYS 71 Cb 0.00 -0.71 -0.05 0.00 -1.84 0.00 0.00 35.03 32.43 2uuu n LYS 71 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2uuu n PRO 72 N -0.17 1.88 -2.75 1.97 -0.02 -1.26 -4.97 135.00 129.68 2uuu n PRO 72 Ca 0.00 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.74 2uuu n PRO 72 Cb 0.00 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.01 2uuu n PRO 72 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2uuu s PHE 73 N 1.83 3.52 -0.06 6.00 5.36 -1.26 -5.05 117.98 128.33 2uuu s PHE 73 Ca 0.85 1.53 0.04 0.00 -0.96 0.00 0.00 56.93 58.39 2uuu s PHE 73 Cb -0.77 -3.12 -0.00 0.00 -0.34 0.00 0.00 43.02 38.79 2uuu s PHE 73 CO 0.45 -0.17 -0.19 0.08 -1.46 0.00 0.00 175.22 173.93 2uuu s VAL 74 N 1.80 1.61 -0.36 3.12 1.01 -1.26 -5.10 120.40 121.23 2uuu s VAL 74 Ca 0.46 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 2uuu s VAL 74 Cb -0.18 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2uuu s VAL 74 CO 0.18 0.46 0.94 -0.76 0.00 0.00 0.00 175.10 175.93 2uuu s LEU 75 N 0.12 3.99 -0.17 3.92 1.02 -1.26 -5.03 118.68 121.26 2uuu s LEU 75 Ca -0.07 0.67 -0.28 0.00 0.02 0.00 0.00 54.13 54.47 2uuu s LEU 75 Cb -0.13 -3.30 -0.00 0.00 0.02 0.00 0.00 46.19 42.77 2uuu s LEU 75 CO 0.04 -0.85 0.97 -1.81 0.02 0.00 0.00 176.35 174.72 2uuu s ASP 76 N 1.83 7.10 -0.10 2.29 -0.00 -1.26 -5.02 116.67 121.51 2uuu s ASP 76 Ca 0.39 1.36 -0.26 0.00 -0.00 0.00 0.00 52.55 54.04 2uuu s ASP 76 Cb -0.12 -2.52 -0.02 0.00 -0.00 0.00 0.00 42.92 40.26 2uuu s ASP 76 CO 0.18 -0.52 0.85 -1.61 -0.00 0.00 0.00 175.17 174.07 2uuu s GLU 77 N 2.50 4.40 -0.59 8.23 2.02 -1.26 -3.07 118.70 130.94 2uuu s GLU 77 Ca 0.44 1.12 0.05 0.00 0.02 0.00 0.00 54.97 56.59 2uuu s GLU 77 Cb -0.17 -3.51 0.19 0.00 0.10 0.00 0.00 34.13 30.75 2uuu s GLU 77 CO 0.12 -0.17 0.51 0.25 0.02 0.00 0.00 175.26 175.99 2uuu n THR 78 N 4.29 0.81 -2.32 3.63 -2.24 0.13 -4.89 114.28 113.70 2uuu n THR 78 Ca 0.04 -4.48 -0.35 0.00 -2.27 0.00 0.00 64.05 56.98 2uuu n THR 78 Cb 0.50 -2.01 -0.01 0.00 -2.10 0.00 0.00 70.33 66.71 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 -1.26 3.47 0.71 -0.78 0.04 -1.26 -4.26 135.00 131.66 2uuu s PRO 79 Ca 0.31 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.79 2uuu s PRO 79 Cb 0.04 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2uuu s PRO 79 CO -0.14 -0.75 1.12 0.00 0.04 0.00 0.00 177.00 177.28 2uuu s ALA 80 N -1.80 2.32 0.43 8.56 0.00 -1.26 -5.01 121.76 125.00 2uuu s ALA 80 Ca 0.71 0.55 -0.25 0.00 0.00 0.00 0.00 51.96 52.97 2uuu s ALA 80 Cb -0.23 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.47 2uuu s ALA 80 CO 0.26 -1.55 1.24 -0.51 0.00 0.00 0.00 175.76 175.20 2uuu s LEU 81 N -5.21 4.12 0.57 0.00 1.43 -0.26 -5.01 118.68 114.32 2uuu s LEU 81 Ca 0.67 2.50 -0.19 0.00 -1.03 0.00 0.00 54.13 56.08 2uuu s LEU 81 Cb -0.21 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 41.91 2uuu s LEU 81 CO 0.46 -0.90 1.15 -1.10 0.23 0.00 0.00 176.35 176.19 2uuu s GLN 82 N -2.43 3.19 0.31 1.70 -1.52 -1.26 -4.96 119.66 114.69 2uuu s GLN 82 Ca 0.60 1.65 0.00 0.00 -1.95 0.00 0.00 55.36 55.66 2uuu s GLN 82 Cb -0.34 -1.98 0.51 0.00 -0.22 0.00 0.00 33.01 30.99 2uuu s GLN 82 CO 0.43 -0.99 1.95 0.97 -0.25 0.00 0.00 175.29 177.39 2uuu h ILE 83 N 0.99 1.13 0.00 1.08 2.10 -1.97 -1.66 117.51 119.18 2uuu h ILE 83 Ca -0.50 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.09 2uuu h ILE 83 Cb 1.27 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 37.00 2uuu h ILE 83 CO 0.56 0.19 0.00 -1.84 -1.08 0.00 0.00 178.15 175.98 2uuu n GLU 84 N -4.45 0.20 -0.11 2.19 0.00 -1.26 -2.07 120.64 115.15 2uuu n GLU 84 Ca 0.11 0.37 0.09 0.00 0.00 0.00 0.00 57.16 57.73 2uuu n GLU 84 Cb 0.12 -1.84 0.32 0.00 0.00 0.00 0.00 31.44 30.03 2uuu n GLU 84 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2uuu n ASN 85 N -2.21 1.81 -4.75 -1.84 3.02 -0.62 -4.91 115.26 105.75 2uuu n ASN 85 Ca 0.03 -1.79 -0.36 0.00 -0.03 0.00 0.00 54.58 52.43 2uuu n ASN 85 Cb 0.27 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.22 2uuu n ASN 85 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2uuu s ILE 86 N -1.71 5.39 0.00 2.41 1.01 -0.88 -4.97 121.20 122.46 2uuu s ILE 86 Ca 0.31 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 2uuu s ILE 86 Cb 0.16 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2uuu s ILE 86 CO 0.24 0.45 0.71 -2.28 0.00 0.00 0.00 174.94 174.07 2uuu s HIS 87 N 0.17 3.68 -0.04 3.97 5.65 -1.26 -5.06 115.29 122.40 2uuu s HIS 87 Ca 0.11 1.36 0.00 0.00 0.25 0.00 0.00 55.06 56.78 2uuu s HIS 87 Cb -0.12 -2.77 0.02 0.00 -1.18 0.00 0.00 32.58 28.54 2uuu s HIS 87 CO 0.01 0.24 -0.02 0.08 -0.65 0.00 0.00 174.74 174.40 2uuu s VAL 88 N 0.14 0.37 0.49 0.89 1.01 -1.26 -4.52 120.40 117.52 2uuu s VAL 88 Ca 0.37 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.12 2uuu s VAL 88 Cb -0.19 -0.45 -0.07 0.00 0.00 0.00 0.00 36.38 35.66 2uuu s VAL 88 CO 0.20 0.20 1.25 0.47 0.00 0.00 0.00 175.10 177.23 2uuu n ASP 89 N 4.32 2.31 -4.58 3.32 8.00 -1.26 -4.90 116.55 123.75 2uuu n ASP 89 Ca -0.21 1.01 -0.39 0.00 0.71 0.00 0.00 54.79 55.91 2uuu n ASP 89 Cb 0.50 -1.51 0.03 0.00 -0.02 0.00 0.00 41.12 40.13 2uuu n ASP 89 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2uuu n PRO 90 N -0.50 0.98 -1.90 -0.24 -0.02 -1.26 -4.96 135.00 127.10 2uuu n PRO 90 Ca 0.09 0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 2uuu n PRO 90 Cb 0.43 -2.03 0.03 0.00 -0.02 0.00 0.00 33.50 31.92 2uuu n PRO 90 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2uuu s PRO 91 N -2.35 2.95 0.87 0.52 0.04 -1.26 -5.03 135.00 130.73 2uuu s PRO 91 Ca 0.70 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.11 2uuu s PRO 91 Cb -0.47 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.22 2uuu s PRO 91 CO 0.52 -1.15 1.11 0.15 0.04 0.00 0.00 177.00 177.67 2uuu s LYS 92 N -3.83 1.44 -0.05 4.56 1.02 -1.26 -5.05 119.74 116.56 2uuu s LYS 92 Ca 0.69 1.26 0.05 0.00 0.02 0.00 0.00 55.97 57.99 2uuu s LYS 92 Cb -0.22 -1.80 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2uuu s LYS 92 CO 0.37 -2.24 -0.21 -0.65 -0.92 0.00 0.00 175.35 171.70 2uuu s GLN 93 N -4.78 2.50 -0.41 1.68 -0.21 -1.26 -4.99 119.66 112.18 2uuu s GLN 93 Ca 0.64 -0.83 0.07 0.00 0.02 0.00 0.00 55.36 55.26 2uuu s GLN 93 Cb -0.20 -2.24 0.23 0.00 1.00 0.00 0.00 33.01 31.80 2uuu s GLN 93 CO 0.57 0.49 0.53 0.98 -2.12 0.00 0.00 175.29 175.74 2uuu n TYR 94 N 2.67 -0.95 -0.22 0.91 -0.00 -1.26 -5.03 117.16 113.28 2uuu n TYR 94 Ca -0.17 -3.23 0.02 0.00 -0.00 0.00 0.00 57.90 54.52 2uuu n TYR 94 Cb 0.52 0.06 0.13 0.00 -0.00 0.00 0.00 39.34 40.05 2uuu n TYR 94 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.86 175.51 2uuu h PRO 95 N 4.40 0.34 -0.45 2.98 0.11 -1.99 -1.15 132.00 136.25 2uuu h PRO 95 Ca 0.09 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 2uuu h PRO 95 Cb 0.91 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2uuu h PRO 95 CO 0.41 0.22 -0.03 1.05 -0.21 0.00 0.00 178.00 179.45 2uuu h GLU 96 N 0.35 0.75 0.01 1.05 9.09 -1.99 -0.61 114.58 123.23 2uuu h GLU 96 Ca 0.35 -0.21 -0.00 0.00 0.05 0.00 0.00 59.36 59.55 2uuu h GLU 96 Cb 0.50 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2uuu h GLU 96 CO -0.39 0.78 -0.01 0.35 0.05 0.00 0.00 179.01 179.79 2uuu h PHE 97 N 0.69 -0.02 -0.64 2.06 3.04 -1.74 -2.88 116.94 117.46 2uuu h PHE 97 Ca 0.13 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 2uuu h PHE 97 Cb 0.47 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 2uuu h PHE 97 CO 0.02 0.38 0.41 0.28 -2.02 0.00 0.00 178.31 177.38 2uuu h VAL 98 N -0.42 1.17 -0.24 1.41 2.07 -1.12 -2.26 116.25 116.87 2uuu h VAL 98 Ca -0.00 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2uuu h VAL 98 Cb 0.41 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2uuu h VAL 98 CO 0.00 0.17 -0.31 0.03 0.02 0.00 0.00 177.57 177.49 2uuu h ARG 99 N 0.87 0.48 -0.38 1.57 3.08 -1.13 -2.13 114.38 116.75 2uuu h ARG 99 Ca 0.23 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2uuu h ARG 99 Cb -0.08 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2uuu h ARG 99 CO -0.05 0.74 0.13 0.93 -1.07 0.00 0.00 179.97 180.65 2uuu h GLU 100 N 0.42 0.58 -0.99 0.04 4.39 -1.20 -2.60 114.58 115.23 2uuu h GLU 100 Ca 0.05 -0.12 0.19 0.00 0.34 0.00 0.00 59.36 59.82 2uuu h GLU 100 Cb 0.74 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.20 2uuu h GLU 100 CO 0.06 0.59 0.59 -0.07 -1.16 0.00 0.00 179.01 179.01 2uuu h LEU 101 N 0.47 0.74 -0.14 1.33 4.07 -1.09 -1.97 115.31 118.72 2uuu h LEU 101 Ca 0.12 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.18 2uuu h LEU 101 Cb 0.24 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.95 2uuu h LEU 101 CO -0.01 0.25 0.00 0.29 -1.08 0.00 0.00 178.44 177.90 2uuu n LYS 102 N -4.79 0.07 0.09 1.13 5.02 -0.83 0.10 118.16 118.95 2uuu n LYS 102 Ca 0.23 0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 2uuu n LYS 102 Cb 0.57 -1.61 0.45 0.00 -0.02 0.00 0.00 35.03 34.41 2uuu n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2uuu n ALA 103 N -1.59 2.26 0.00 7.82 0.00 -0.74 -4.25 120.51 124.00 2uuu n ALA 103 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2uuu n ALA 103 Cb 0.26 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2uuu n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2uuu n PHE 104 N -2.12 0.00 -4.36 0.00 3.72 -0.77 -5.08 117.46 108.86 2uuu n PHE 104 Ca 0.06 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.15 2uuu n PHE 104 Cb 0.40 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.84 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 -1.49 2.84 0.45 1.38 0.40 0.12 -5.12 117.98 116.56 2uuu s PHE 105 Ca 0.00 -0.08 -0.19 0.00 -0.60 0.00 0.00 56.93 56.06 2uuu s PHE 105 Cb 0.00 -1.54 -0.10 0.00 0.51 0.00 0.00 43.02 41.89 2uuu s PHE 105 CO 0.00 0.40 0.94 -0.51 0.70 0.00 0.00 175.22 176.75 2uuu s LEU 106 N -1.77 3.85 0.39 -0.37 1.43 -1.26 -4.51 118.68 116.45 2uuu s LEU 106 Ca 0.19 1.61 0.17 0.00 -1.03 0.00 0.00 54.13 55.07 2uuu s LEU 106 Cb -0.11 -4.48 1.06 0.00 0.03 0.00 0.00 46.19 42.69 2uuu s LEU 106 CO 0.11 -0.42 1.80 -0.65 0.23 0.00 0.00 176.35 177.41 2uuu h PRO 107 N 1.61 0.43 0.00 1.29 0.11 -1.94 -0.71 132.00 132.78 2uuu h PRO 107 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2uuu h PRO 107 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2uuu h PRO 107 CO 0.62 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 2uuu n ASP 108 N -4.60 0.32 -0.17 -2.05 5.75 -1.26 -2.14 116.55 112.40 2uuu n ASP 108 Ca 0.23 0.57 0.14 0.00 -0.01 0.00 0.00 54.79 55.72 2uuu n ASP 108 Cb 0.79 -0.64 0.51 0.00 -1.03 0.00 0.00 41.12 40.75 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 -1.84 0.75 -4.42 0.11 6.02 -0.27 -4.82 117.38 112.90 2uuu n GLN 109 Ca 0.04 -0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 56.35 2uuu n GLN 109 Cb 0.24 -1.49 -0.16 0.00 1.02 0.00 0.00 30.24 29.85 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 -2.49 2.13 -0.01 1.08 1.43 -0.91 -1.35 118.68 118.57 2uuu s LEU 110 Ca 0.27 -0.62 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2uuu s LEU 110 Cb 0.20 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 2uuu s LEU 110 CO 0.49 0.04 -0.09 -0.54 0.23 0.00 0.00 176.35 176.49 2uuu s LYS 111 N 1.03 0.82 0.00 1.70 -0.14 -0.23 -4.97 119.74 117.96 2uuu s LYS 111 Ca -0.02 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.32 2uuu s LYS 111 Cb -0.14 -0.79 0.07 0.00 -1.68 0.00 0.00 37.83 35.29 2uuu s LYS 111 CO -0.07 0.17 0.91 -0.40 -0.76 0.00 0.00 175.35 175.20 2uuu n ASP 112 N 3.02 0.10 -4.86 2.83 3.85 -1.26 -0.81 116.55 119.41 2uuu n ASP 112 Ca -0.15 -1.77 -0.29 0.00 -0.71 0.00 0.00 54.79 51.87 2uuu n ASP 112 Cb 0.56 -0.14 0.10 0.00 -1.35 0.00 0.00 41.12 40.30 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 -0.94 4.20 0.22 -1.12 -4.77 -1.26 -4.83 116.67 108.17 2uuu s ASP 113 Ca 0.06 0.83 -0.08 0.00 -3.30 0.00 0.00 52.55 50.06 2uuu s ASP 113 Cb 0.06 -1.35 0.28 0.00 -1.09 0.00 0.00 42.92 40.83 2uuu s ASP 113 CO -0.03 -2.10 1.83 0.50 0.70 0.00 0.00 175.17 176.07 2uuu h LYS 114 N -1.19 0.81 -0.01 2.11 3.64 -1.99 -1.50 116.57 118.44 2uuu h LYS 114 Ca -0.47 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2uuu h LYS 114 Cb 1.33 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2uuu h LYS 114 CO 0.65 0.54 0.00 1.25 -2.27 0.00 0.00 179.45 179.62 2uuu h LEU 115 N 0.84 0.01 -0.52 5.20 5.85 -1.98 -0.99 115.31 123.72 2uuu h LEU 115 Ca 0.33 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2uuu h LEU 115 Cb 0.16 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 2uuu h LEU 115 CO -0.17 0.17 0.24 0.00 -0.34 0.00 0.00 178.44 178.34 2uuu h ALA 116 N 0.84 0.66 -0.13 1.25 0.00 -1.89 -1.91 119.26 118.09 2uuu h ALA 116 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2uuu h ALA 116 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2uuu h ALA 116 CO -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 179.25 179.16 2uuu h ARG 117 N 0.46 0.20 -0.33 0.00 3.08 -1.05 -2.67 114.38 114.07 2uuu h ARG 117 Ca 0.24 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2uuu h ARG 117 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2uuu h ARG 117 CO -0.20 0.32 0.16 0.82 -1.07 0.00 0.00 179.97 180.00 2uuu h ILE 118 N 0.04 1.16 0.00 2.04 2.04 -1.09 -2.79 117.51 118.91 2uuu h ILE 118 Ca 0.04 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2uuu h ILE 118 Cb 0.20 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2uuu h ILE 118 CO -0.00 0.16 0.00 0.35 0.00 0.00 0.00 178.15 178.66 2uuu n THR 119 N -4.76 0.94 -1.20 -0.27 -2.24 -0.73 -1.90 114.28 104.14 2uuu n THR 119 Ca -0.01 0.24 0.07 0.00 -2.27 0.00 0.00 64.05 62.08 2uuu n THR 119 Cb 0.10 -1.04 0.19 0.00 -2.10 0.00 0.00 70.33 67.48 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 -1.39 0.33 -0.07 4.78 8.25 -1.01 -4.64 115.22 121.48 2uuu n HIS 120 Ca 0.04 -1.14 -0.11 0.00 -0.26 0.00 0.00 57.72 56.26 2uuu n HIS 120 Cb 0.11 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 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 -1.14 0.74 -4.63 1.59 -1.04 -0.80 -4.57 114.28 104.43 2uuu n THR 121 Ca 0.20 -0.25 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 2uuu n THR 121 Cb 0.75 -1.18 -0.11 0.00 -1.82 0.00 0.00 70.33 67.97 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 -2.25 2.92 0.00 -1.42 0.40 -1.22 -3.70 117.98 112.71 2uuu s PHE 122 Ca -0.18 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2uuu s PHE 122 Cb 0.05 -1.70 0.00 0.00 0.51 0.00 0.00 43.02 41.88 2uuu s PHE 122 CO 0.28 0.33 0.00 0.41 0.70 0.00 0.00 175.22 176.94 2uuu n GLY 123 N 2.18 1.23 0.75 4.36 0.00 -1.26 -4.92 105.19 107.53 2uuu n GLY 123 Ca -0.18 -1.61 0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 1.46 -1.72 1.61 4.76 -0.79 -4.64 118.16 118.84 2uuu n LYS 124 Ca 0.00 -3.18 -0.30 0.00 -2.87 0.00 0.00 58.31 51.95 2uuu n LYS 124 Cb 0.00 -1.45 0.06 0.00 -1.84 0.00 0.00 35.03 31.80 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 -3.11 5.17 0.20 4.39 1.04 -1.26 -4.87 113.70 115.26 2uuu s SER 125 Ca 0.38 1.29 -0.11 0.00 0.48 0.00 0.00 55.95 57.99 2uuu s SER 125 Cb 0.37 -2.10 0.24 0.00 0.10 0.00 0.00 66.02 64.63 2uuu s SER 125 CO -0.08 -1.54 1.75 0.25 0.98 0.00 0.00 173.24 174.60 2uuu h LEU 126 N -0.79 0.21 -0.88 2.42 5.85 -1.92 -1.55 115.31 118.65 2uuu h LEU 126 Ca -0.45 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2uuu h LEU 126 Cb 1.25 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.29 2uuu h LEU 126 CO 0.61 0.13 0.54 -0.09 -0.34 0.00 0.00 178.44 179.29 2uuu h ARG 127 N 0.39 1.19 0.29 1.25 2.43 -1.96 0.20 114.38 118.17 2uuu h ARG 127 Ca 0.28 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2uuu h ARG 127 Cb 0.33 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2uuu h ARG 127 CO -0.28 0.83 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.28 2uuu h ASP 128 N 1.21 -0.77 -0.70 -3.80 3.32 -1.80 -2.07 116.42 111.81 2uuu h ASP 128 Ca 0.32 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.45 2uuu h ASP 128 Cb -0.06 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2uuu h ASP 128 CO -0.06 -0.41 0.46 -0.07 -1.72 0.00 0.00 179.24 177.43 2uuu h LEU 129 N -0.60 0.77 -0.28 1.55 3.38 -0.84 -1.13 115.31 118.16 2uuu h LEU 129 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2uuu h LEU 129 Cb 0.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2uuu h LEU 129 CO -0.06 0.55 0.14 0.40 0.09 0.00 0.00 178.44 179.57 2uuu h ILE 130 N 0.92 0.99 -0.33 1.22 1.08 -0.56 -1.43 117.51 119.40 2uuu h ILE 130 Ca 0.27 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.57 2uuu h ILE 130 Cb -0.06 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 2uuu h ILE 130 CO -0.07 0.05 -0.04 0.03 -0.69 0.00 0.00 178.15 177.43 2uuu h ARG 131 N 0.30 0.61 -0.32 2.37 3.08 -1.09 -2.88 114.38 116.45 2uuu h ARG 131 Ca 0.12 -0.21 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 2uuu h ARG 131 Cb 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2uuu h ARG 131 CO -0.08 0.76 -0.26 -0.24 -1.07 0.00 0.00 179.97 179.09 2uuu h VAL 132 N 0.40 1.27 0.00 2.04 3.04 -1.12 -0.72 116.25 121.16 2uuu h VAL 132 Ca 0.09 -1.35 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 2uuu h VAL 132 Cb 0.51 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.10 2uuu h VAL 132 CO 0.02 0.44 -0.10 0.03 -1.01 0.00 0.00 177.57 176.95 2uuu h ARG 133 N 0.56 0.00 -0.31 4.17 3.08 -1.17 -1.95 114.38 118.75 2uuu h ARG 133 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2uuu h ARG 133 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2uuu h ARG 133 CO 0.06 0.10 0.00 0.44 -1.07 0.00 0.00 179.97 179.50 2uuu n ILE 134 N -3.64 0.55 -1.76 2.04 -5.35 -1.08 -1.10 119.36 109.02 2uuu n ILE 134 Ca -0.02 -0.77 -0.05 0.00 -0.27 0.00 0.00 62.75 61.64 2uuu n ILE 134 Cb 0.22 0.89 -0.01 0.00 -1.74 0.00 0.00 39.64 39.00 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 1.06 0.38 3.42 3.28 0.00 -0.74 -4.99 105.19 107.61 2uuu n GLY 135 Ca 0.15 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.60 3.26 -0.43 1.61 0.74 -0.33 -4.43 119.66 116.47 2uuu s GLN 136 Ca 0.00 -1.33 0.02 0.00 0.05 0.00 0.00 55.36 54.10 2uuu s GLN 136 Cb 0.00 -4.45 0.14 0.00 1.10 0.00 0.00 33.01 29.80 2uuu s GLN 136 CO 0.00 -1.70 0.23 0.08 -0.55 0.00 0.00 175.29 173.36 2uuu s VAL 137 N 3.05 1.27 -0.09 1.34 1.01 -1.26 -4.51 120.40 121.21 2uuu s VAL 137 Ca 0.22 -2.46 0.15 0.00 0.00 0.00 0.00 61.98 59.89 2uuu s VAL 137 Cb -0.15 -1.90 -0.22 0.00 0.00 0.00 0.00 36.38 34.11 2uuu s VAL 137 CO 0.02 -0.90 0.55 0.29 0.00 0.00 0.00 175.10 175.06 2uuu n LYS 138 N 3.61 0.64 -3.30 2.72 5.02 -1.26 -4.65 118.16 120.94 2uuu n LYS 138 Ca 0.09 0.20 -0.25 0.00 -2.02 0.00 0.00 58.31 56.32 2uuu n LYS 138 Cb 0.35 -1.72 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 2uuu n LYS 138 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2uuu n ASN 139 N -2.92 0.31 -4.83 4.39 3.02 -1.26 -5.00 115.26 108.97 2uuu n ASN 139 Ca -0.19 -2.66 -0.33 0.00 -0.03 0.00 0.00 54.58 51.38 2uuu n ASN 139 Cb 1.03 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 39.52 2uuu n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uuu s ALA 140 N -0.87 3.08 0.88 5.41 0.00 -1.26 -4.13 121.76 124.87 2uuu s ALA 140 Ca 0.34 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.52 2uuu s ALA 140 Cb 0.12 -3.10 0.12 0.00 0.00 0.00 0.00 23.12 20.26 2uuu s ALA 140 CO -0.14 0.10 1.10 -1.25 0.00 0.00 0.00 175.76 175.58 2uuu s PRO 141 N -3.29 1.32 0.08 0.00 0.04 -1.26 -4.96 135.00 126.92 2uuu s PRO 141 Ca 0.61 1.18 0.17 0.00 0.04 0.00 0.00 61.00 63.00 2uuu s PRO 141 Cb -0.09 -1.79 -0.12 0.00 0.04 0.00 0.00 34.50 32.54 2uuu s PRO 141 CO 0.16 -2.30 0.87 -0.44 0.04 0.00 0.00 177.00 175.33 2uuu h ASP 142 N -1.61 0.00 -4.14 6.66 3.32 -0.75 -3.47 116.42 116.43 2uuu h ASP 142 Ca -0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 2uuu h ASP 142 Cb 1.26 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.59 2uuu h ASP 142 CO 0.49 0.56 -0.13 -0.22 -1.72 0.00 0.00 179.24 178.22 2uuu s LEU 143 N -5.82 0.16 -0.16 1.55 2.96 -1.04 -4.81 118.68 111.51 2uuu s LEU 143 Ca -0.02 0.85 -0.03 0.00 -0.22 0.00 0.00 54.13 54.70 2uuu s LEU 143 Cb 0.09 1.69 -0.02 0.00 0.50 0.00 0.00 46.19 48.45 2uuu s LEU 143 CO 0.81 -0.24 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.92 2uuu s ILE 144 N -0.06 3.74 -0.09 6.68 1.09 0.01 -1.20 121.20 131.37 2uuu s ILE 144 Ca -0.03 -0.40 0.02 0.00 -1.10 0.00 0.00 60.65 59.14 2uuu s ILE 144 Cb -0.03 -2.65 -0.02 0.00 -1.06 0.00 0.00 42.46 38.70 2uuu s ILE 144 CO 0.02 0.48 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.49 2uuu s VAL 145 N 0.56 2.89 -0.67 2.92 1.01 -0.25 -1.07 120.40 125.80 2uuu s VAL 145 Ca -0.03 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.22 2uuu s VAL 145 Cb -0.14 -2.16 0.16 0.00 0.00 0.00 0.00 36.38 34.24 2uuu s VAL 145 CO 0.03 0.56 0.46 -0.76 0.00 0.00 0.00 175.10 175.38 2uuu s LEU 146 N -0.11 4.85 0.71 3.92 1.43 -0.45 -1.32 118.68 127.70 2uuu s LEU 146 Ca -0.02 -3.42 -0.15 0.00 -1.03 0.00 0.00 54.13 49.51 2uuu s LEU 146 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2uuu s LEU 146 CO 0.04 -0.19 1.15 -2.16 0.23 0.00 0.00 176.35 175.42 2uuu s PRO 147 N -0.87 2.40 0.00 1.29 0.04 -1.26 -4.80 135.00 131.80 2uuu s PRO 147 Ca 0.22 1.55 0.13 0.00 0.04 0.00 0.00 61.00 62.94 2uuu s PRO 147 Cb -0.14 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2uuu s PRO 147 CO -0.09 -1.59 0.59 0.72 0.04 0.00 0.00 177.00 176.67 2uuu n HIS 148 N -2.68 0.00 -3.57 0.56 8.25 -1.26 -4.09 115.22 112.43 2uuu n HIS 148 Ca 0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.49 2uuu n HIS 148 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 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 -2.10 -0.41 0.20 0.41 1.04 -1.26 -4.75 113.70 106.83 2uuu s SER 149 Ca 0.06 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.22 2uuu s SER 149 Cb 0.10 0.55 0.27 0.00 0.10 0.00 0.00 66.02 67.04 2uuu s SER 149 CO 0.49 -0.94 1.69 -0.74 0.98 0.00 0.00 173.24 174.72 2uuu h HIS 150 N 2.00 0.08 -0.98 5.02 2.76 -1.96 -2.33 115.15 119.74 2uuu h HIS 150 Ca -0.27 0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.01 2uuu h HIS 150 Cb 1.27 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 30.22 2uuu h HIS 150 CO 0.29 -0.09 0.63 0.93 -1.30 0.00 0.00 177.93 178.40 2uuu h GLU 151 N 0.19 1.12 -0.26 5.26 3.07 -1.99 -1.65 114.58 120.32 2uuu h GLU 151 Ca 0.30 -0.07 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 2uuu h GLU 151 Cb 0.46 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2uuu h GLU 151 CO -0.44 0.74 -0.25 0.93 -1.40 0.00 0.00 179.01 178.59 2uuu h GLU 152 N 1.15 0.49 -0.52 2.33 5.08 -1.84 -1.70 114.58 119.57 2uuu h GLU 152 Ca 0.42 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 2uuu h GLU 152 Cb 0.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2uuu h GLU 152 CO -0.17 0.71 -0.03 0.28 -1.00 0.00 0.00 179.01 178.79 2uuu h VAL 153 N 0.43 1.27 -0.31 3.13 2.07 -0.90 -0.88 116.25 121.06 2uuu h VAL 153 Ca 0.06 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.47 2uuu h VAL 153 Cb 0.67 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2uuu h VAL 153 CO 0.05 0.40 0.11 -0.33 0.02 0.00 0.00 177.57 177.82 2uuu h GLU 154 N 0.81 0.24 -0.18 1.57 5.08 -1.10 0.88 114.58 121.89 2uuu h GLU 154 Ca 0.14 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2uuu h GLU 154 Cb 0.57 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2uuu h GLU 154 CO 0.03 0.16 0.06 -0.09 -1.00 0.00 0.00 179.01 178.17 2uuu h ARG 155 N 0.25 0.14 -0.27 2.33 9.65 -1.14 -0.89 114.38 124.45 2uuu h ARG 155 Ca 0.14 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2uuu h ARG 155 Cb 0.11 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 2uuu h ARG 155 CO -0.14 0.09 0.15 1.25 2.80 0.00 0.00 179.97 184.13 2uuu h LEU 156 N 0.14 0.24 -0.41 3.80 5.85 -0.80 -1.28 115.31 122.85 2uuu h LEU 156 Ca 0.08 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2uuu h LEU 156 Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 2uuu h LEU 156 CO -0.08 0.18 -0.08 0.58 -0.34 0.00 0.00 178.44 178.70 2uuu h VAL 157 N 0.31 1.27 -0.19 1.05 2.07 -0.71 -0.60 116.25 119.45 2uuu h VAL 157 Ca 0.11 -1.16 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2uuu h VAL 157 Cb 0.00 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 2uuu h VAL 157 CO -0.05 0.39 -0.14 1.56 0.02 0.00 0.00 177.57 179.35 2uuu h GLN 158 N 0.59 -0.13 -0.61 1.57 4.20 -1.02 -0.98 115.11 118.73 2uuu h GLN 158 Ca 0.11 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.85 2uuu h GLN 158 Cb 0.60 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2uuu h GLN 158 CO 0.04 -0.09 0.37 -0.07 -0.67 0.00 0.00 178.83 178.41 2uuu h LEU 159 N -0.14 0.60 -0.81 1.46 3.38 -1.14 -1.10 115.31 117.58 2uuu h LEU 159 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2uuu h LEU 159 Cb 0.30 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2uuu h LEU 159 CO -0.27 0.42 0.43 0.00 0.09 0.00 0.00 178.44 179.10 2uuu h ALA 160 N 1.27 1.03 -0.12 1.53 0.00 -0.86 -0.13 119.26 121.99 2uuu h ALA 160 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2uuu h ALA 160 Cb 0.03 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2uuu h ALA 160 CO -0.11 0.56 0.05 1.25 0.00 0.00 0.00 179.25 181.00 2uuu h HIS 161 N 1.12 0.18 -0.68 0.00 -0.00 -0.96 0.12 115.15 114.94 2uuu h HIS 161 Ca 0.28 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.69 2uuu h HIS 161 Cb 0.05 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.36 2uuu h HIS 161 CO 0.01 0.26 0.39 -0.22 -0.00 0.00 0.00 177.93 178.37 2uuu h LYS 162 N 0.04 0.72 -0.07 5.26 3.64 -0.92 -2.94 116.57 122.30 2uuu h LYS 162 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2uuu h LYS 162 Cb 0.16 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2uuu h LYS 162 CO -0.00 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.31 2uuu n TYR 163 N -4.75 0.07 -3.44 1.91 4.01 -0.09 -4.97 117.16 109.90 2uuu n TYR 163 Ca 0.08 -0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 2uuu n TYR 163 Cb 0.15 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.24 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 0.67 -4.73 -4.45 7.72 2.85 -0.18 -5.03 115.26 112.11 2uuu n ASN 164 Ca 0.17 -0.77 -0.33 0.00 -0.11 0.00 0.00 54.58 53.54 2uuu n ASN 164 Cb 0.45 -4.66 -0.13 0.00 1.24 0.00 0.00 39.78 36.68 2uuu n ASN 164 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2uuu s VAL 165 N -3.44 3.59 0.19 3.44 1.01 0.24 -4.66 120.40 120.76 2uuu s VAL 165 Ca 0.31 -0.47 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2uuu s VAL 165 Cb -0.06 -2.55 -0.10 0.00 0.00 0.00 0.00 36.38 33.67 2uuu s VAL 165 CO 0.77 0.50 1.46 -0.69 0.00 0.00 0.00 175.10 177.15 2uuu s VAL 166 N 0.37 2.82 -0.08 2.92 1.01 -0.06 -4.68 120.40 122.70 2uuu s VAL 166 Ca -0.06 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2uuu s VAL 166 Cb -0.15 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2uuu s VAL 166 CO 0.04 0.07 -0.18 0.27 0.00 0.00 0.00 175.10 175.30 2uuu s ILE 167 N 0.58 1.59 -0.21 2.22 -4.36 -0.20 -0.28 121.20 120.53 2uuu s ILE 167 Ca 0.63 -0.75 -0.01 0.00 -0.26 0.00 0.00 60.65 60.27 2uuu s ILE 167 Cb -0.41 -1.40 0.06 0.00 1.25 0.00 0.00 42.46 41.96 2uuu s ILE 167 CO 0.36 0.46 -0.02 -0.63 0.24 0.00 0.00 174.94 175.35 2uuu s ILE 168 N 0.49 1.08 0.41 8.37 1.01 0.07 -1.45 121.20 131.18 2uuu s ILE 168 Ca -0.16 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 2uuu s ILE 168 Cb -0.17 -1.43 -0.09 0.00 0.01 0.00 0.00 42.46 40.79 2uuu s ILE 168 CO 0.06 -0.11 1.05 -2.16 0.00 0.00 0.00 174.94 173.78 2uuu s PRO 169 N 1.61 4.11 0.01 2.79 0.04 -1.26 -1.30 135.00 140.99 2uuu s PRO 169 Ca -0.03 1.50 0.03 0.00 0.04 0.00 0.00 61.00 62.54 2uuu s PRO 169 Cb -0.18 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 2uuu s PRO 169 CO -0.07 -0.19 -0.11 0.00 0.04 0.00 0.00 177.00 176.67 2uuu s MET 170 N -2.60 0.81 0.00 4.56 0.23 -0.04 -4.86 119.30 117.40 2uuu s MET 170 Ca 0.59 -0.51 0.00 0.00 -1.03 0.00 0.00 55.69 54.74 2uuu s MET 170 Cb -0.21 -0.78 0.00 0.00 -1.53 0.00 0.00 34.83 32.31 2uuu s MET 170 CO 0.27 0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.87 2uuu n GLY 171 N 2.43 0.23 0.10 3.16 0.00 -1.26 -1.46 105.19 108.39 2uuu n GLY 171 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 4.50 -1.64 2.39 -0.02 0.00 -1.26 -4.81 105.19 104.35 2uuu n GLY 172 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 1.31 -0.30 0.02 -0.02 0.00 -1.26 -4.91 105.19 100.03 2uuu n GLY 173 Ca 0.05 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.78 0.47 -4.65 1.61 3.41 -1.26 -3.22 113.62 108.20 2uuu n SER 174 Ca -0.24 -0.01 -0.36 0.00 -0.26 0.00 0.00 58.87 58.00 2uuu n SER 174 Cb 0.68 0.07 0.08 0.00 -0.26 0.00 0.00 64.21 64.78 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 -1.66 0.94 -0.26 4.04 0.23 -1.26 -4.23 115.26 113.05 2uuu n ASN 175 Ca 0.05 0.72 0.08 0.00 -0.53 0.00 0.00 54.58 54.90 2uuu n ASN 175 Cb 0.36 -1.45 0.14 0.00 -2.08 0.00 0.00 39.78 36.76 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 -2.31 1.77 0.03 1.53 -5.35 -1.26 -1.89 119.36 111.87 2uuu n ILE 176 Ca 0.14 -1.91 0.02 0.00 -0.27 0.00 0.00 62.75 60.73 2uuu n ILE 176 Cb 0.49 -0.08 0.04 0.00 -1.74 0.00 0.00 39.64 38.35 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 -0.99 0.61 -1.37 7.28 0.24 -1.26 -4.67 118.33 118.18 2uuu n VAL 177 Ca 0.14 -0.81 -0.02 0.00 -2.04 0.00 0.00 64.34 61.61 2uuu n VAL 177 Cb 0.61 0.73 -0.01 0.00 -1.47 0.00 0.00 33.84 33.70 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 0.02 0.47 0.26 7.63 0.00 -1.26 -4.96 105.19 107.35 2uuu n GLY 178 Ca 0.04 -0.92 0.17 0.00 0.00 0.00 0.00 46.02 45.30 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 0.03 1.00 -0.01 4.61 0.00 -1.94 -2.84 119.26 120.11 2uuu h ALA 179 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2uuu h ALA 179 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2uuu h ALA 179 CO 0.07 0.00 -0.43 0.44 0.00 0.00 0.00 179.25 179.33 2uuu n ILE 180 N -3.00 0.00 -2.50 0.00 -5.35 -1.26 -4.98 119.36 102.26 2uuu n ILE 180 Ca 0.01 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 61.77 2uuu n ILE 180 Cb 0.29 1.19 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 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 -2.15 4.27 0.30 6.28 2.12 -1.08 -4.81 118.70 123.64 2uuu s GLU 181 Ca 0.14 1.57 -0.29 0.00 0.36 0.00 0.00 54.97 56.75 2uuu s GLU 181 Cb 0.14 -3.68 -0.12 0.00 0.26 0.00 0.00 34.13 30.73 2uuu s GLU 181 CO 0.49 -0.62 1.42 -2.30 -0.54 0.00 0.00 175.26 173.71 2uuu n PRO 182 N 6.19 2.30 0.01 4.30 -0.02 -1.26 -4.91 135.00 141.62 2uuu n PRO 182 Ca 0.13 0.81 0.01 0.00 -2.02 0.00 0.00 63.50 62.43 2uuu n PRO 182 Cb 0.46 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 2uuu n PRO 182 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2uuu n VAL 183 N 1.28 0.97 -4.11 -1.45 0.31 -1.26 -4.84 118.33 109.23 2uuu n VAL 183 Ca 0.07 -0.67 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 2uuu n VAL 183 Cb 0.35 -0.54 -0.07 0.00 -0.91 0.00 0.00 33.84 32.67 2uuu n VAL 183 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2uuu s SER 184 N -5.49 0.35 -0.16 4.52 1.04 -1.26 -5.07 113.70 107.63 2uuu s SER 184 Ca -0.05 -1.28 0.14 0.00 0.48 0.00 0.00 55.95 55.24 2uuu s SER 184 Cb 0.09 0.53 0.38 0.00 0.10 0.00 0.00 66.02 67.12 2uuu s SER 184 CO 0.83 -1.07 1.19 -0.46 0.98 0.00 0.00 173.24 174.71 2uuu n ASN 185 N -0.66 1.72 -0.08 7.02 6.94 -1.26 -4.83 115.26 124.10 2uuu n ASN 185 Ca 0.01 -3.48 -0.12 0.00 -0.02 0.00 0.00 54.58 50.97 2uuu n ASN 185 Cb 0.63 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.53 2uuu n ASN 185 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 2uuu h GLU 186 N 0.75 0.47 -6.22 -3.83 -0.00 -2.04 -3.45 114.58 100.26 2uuu h GLU 186 Ca -0.02 -0.18 -0.55 0.00 -0.00 0.00 0.00 59.36 58.61 2uuu h GLU 186 Cb 1.10 -0.03 -0.08 0.00 -0.00 0.00 0.00 28.75 29.75 2uuu h GLU 186 CO 0.01 0.70 -0.60 1.03 -0.00 0.00 0.00 179.01 180.15 2uuu s ARG 187 N -4.77 2.57 0.24 1.06 0.52 -1.26 -5.08 118.95 112.23 2uuu s ARG 187 Ca -0.14 -1.20 -0.31 0.00 -0.52 0.00 0.00 55.73 53.56 2uuu s ARG 187 Cb 0.07 -2.37 -0.12 0.00 0.52 0.00 0.00 34.95 33.06 2uuu s ARG 187 CO 0.76 0.40 1.64 0.34 0.02 0.00 0.00 175.30 178.47 2uuu n PHE 188 N -0.82 2.73 -4.63 -0.53 7.35 -1.26 -4.81 117.46 115.49 2uuu n PHE 188 Ca -0.08 0.17 -0.27 0.00 -0.76 0.00 0.00 57.45 56.51 2uuu n PHE 188 Cb 0.58 -2.62 -0.17 0.00 0.35 0.00 0.00 39.48 37.62 2uuu n PHE 188 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 2uuu s THR 189 N 0.61 1.43 -0.16 -2.13 -1.32 -1.26 -0.88 115.64 111.92 2uuu s THR 189 Ca 0.71 -0.63 -0.02 0.00 -1.21 0.00 0.00 61.69 60.54 2uuu s THR 189 Cb -0.52 -1.29 -0.02 0.00 -1.51 0.00 0.00 72.50 69.16 2uuu s THR 189 CO 0.40 0.42 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.46 2uuu s VAL 190 N 0.75 3.31 -0.16 5.08 1.01 0.61 0.07 120.40 131.07 2uuu s VAL 190 Ca -0.12 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2uuu s VAL 190 Cb -0.16 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 2uuu s VAL 190 CO 0.02 0.49 0.62 -0.55 0.00 0.00 0.00 175.10 175.69 2uuu s SER 191 N 0.66 6.75 -0.56 3.32 0.15 -0.34 -0.75 113.70 122.93 2uuu s SER 191 Ca -0.05 0.90 -0.13 0.00 0.70 0.00 0.00 55.95 57.38 2uuu s SER 191 Cb -0.15 -2.35 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 2uuu s SER 191 CO 0.02 -0.20 0.48 -0.63 1.20 0.00 0.00 173.24 174.11 2uuu s ILE 192 N 1.51 4.83 -0.40 6.45 1.01 -0.42 -1.10 121.20 133.09 2uuu s ILE 192 Ca 0.30 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 2uuu s ILE 192 Cb -0.16 -4.11 0.02 0.00 0.01 0.00 0.00 42.46 38.22 2uuu s ILE 192 CO 0.12 -0.86 1.20 -0.62 0.00 0.00 0.00 174.94 174.77 2uuu s ASP 193 N 2.89 6.66 0.00 3.58 -1.08 -0.44 -0.86 116.67 127.42 2uuu s ASP 193 Ca 0.07 0.78 0.30 0.00 -0.52 0.00 0.00 52.55 53.18 2uuu s ASP 193 Cb -0.25 -2.55 1.52 0.00 -1.46 0.00 0.00 42.92 40.19 2uuu s ASP 193 CO -0.01 -1.17 2.03 0.23 0.52 0.00 0.00 175.17 176.77 2uuu n MET 194 N 7.58 0.76 0.00 4.34 2.81 -0.54 -4.12 117.12 127.95 2uuu n MET 194 Ca 0.13 -0.13 0.08 0.00 -1.81 0.00 0.00 57.70 55.97 2uuu n MET 194 Cb 0.48 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.86 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 -1.00 0.02 0.06 0.03 1.74 -1.26 -0.91 116.66 115.34 2uuu n ARG 195 Ca 0.18 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.58 2uuu n ARG 195 Cb 0.22 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.48 0.19 -3.04 5.56 1.74 -1.26 -4.36 116.66 114.01 2uuu n ARG 196 Ca 0.04 0.12 -0.44 0.00 -0.77 0.00 0.00 57.85 56.80 2uuu n ARG 196 Cb 0.20 -1.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.08 3.98 -0.04 5.56 -1.94 -0.09 -4.78 119.30 118.91 2uuu s MET 197 Ca 0.10 -2.52 0.19 0.00 -1.71 0.00 0.00 55.69 51.75 2uuu s MET 197 Cb 0.14 -4.90 0.35 0.00 2.01 0.00 0.00 34.83 32.43 2uuu s MET 197 CO 0.62 -1.65 1.15 0.27 -0.01 0.00 0.00 175.02 175.40 2uuu n ASN 198 N 5.21 1.02 -4.56 3.03 6.94 -1.26 -1.67 115.26 123.96 2uuu n ASN 198 Ca 0.30 -2.38 -0.32 0.00 -0.02 0.00 0.00 54.58 52.16 2uuu n ASN 198 Cb 0.44 -0.33 -0.11 0.00 -2.36 0.00 0.00 39.78 37.42 2uuu n ASN 198 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2uuu s LYS 199 N -0.69 2.53 -0.11 -3.83 -0.14 -1.26 -4.68 119.74 111.56 2uuu s LYS 199 Ca 0.29 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.89 2uuu s LYS 199 Cb 0.32 -2.47 -0.03 0.00 -1.68 0.00 0.00 37.83 33.97 2uuu s LYS 199 CO -0.12 0.61 1.33 0.08 -0.76 0.00 0.00 175.35 176.50 2uuu s VAL 200 N -0.92 4.09 -0.03 3.17 1.01 -1.26 -1.29 120.40 125.16 2uuu s VAL 200 Ca 0.15 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.40 2uuu s VAL 200 Cb -0.11 -3.88 -0.30 0.00 0.00 0.00 0.00 36.38 32.09 2uuu s VAL 200 CO 0.05 -0.08 0.74 -0.07 0.00 0.00 0.00 175.10 175.74 2uuu h LEU 201 N 9.37 0.57 -7.00 3.92 3.38 -0.27 -3.48 115.31 121.80 2uuu h LEU 201 Ca -0.31 -0.83 -0.02 0.00 0.09 0.00 0.00 57.88 56.81 2uuu h LEU 201 Cb 1.13 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.56 2uuu h LEU 201 CO 0.94 1.69 0.23 -1.66 0.09 0.00 0.00 178.44 179.73 2uuu s TRP 202 N -2.59 -0.55 -0.05 1.13 1.48 -1.08 -4.99 118.94 112.29 2uuu s TRP 202 Ca -0.14 0.51 0.04 0.00 -1.06 0.00 0.00 56.10 55.46 2uuu s TRP 202 Cb 0.06 0.52 -0.00 0.00 -1.16 0.00 0.00 33.47 32.89 2uuu s TRP 202 CO 0.86 -0.77 -0.18 0.08 -4.06 0.00 0.00 176.95 172.88 2uuu s VAL 203 N -3.09 1.49 -0.36 -0.66 1.01 -1.26 -0.90 120.40 116.63 2uuu s VAL 203 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 2uuu s VAL 203 Cb -0.01 -1.29 0.09 0.00 0.00 0.00 0.00 36.38 35.18 2uuu s VAL 203 CO -0.07 0.43 0.10 -0.62 0.00 0.00 0.00 175.10 174.94 2uuu s ASP 204 N 0.08 5.01 0.50 3.32 -1.08 0.64 -4.97 116.67 120.16 2uuu s ASP 204 Ca -0.05 -1.87 0.29 0.00 -0.52 0.00 0.00 52.55 50.40 2uuu s ASP 204 Cb -0.12 -1.74 0.88 0.00 -1.46 0.00 0.00 42.92 40.48 2uuu s ASP 204 CO 0.03 -0.42 1.81 0.03 0.52 0.00 0.00 175.17 177.13 2uuu h ARG 205 N 7.91 0.00 -0.09 4.34 3.08 -1.94 0.14 114.38 127.82 2uuu h ARG 205 Ca -0.13 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 2uuu h ARG 205 Cb 1.04 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.10 2uuu h ARG 205 CO 0.60 0.00 -0.54 0.00 -1.07 0.00 0.00 179.97 178.97 2uuu h ARG 206 N 0.00 0.52 0.00 0.04 3.08 -1.95 -3.24 114.38 112.83 2uuu h ARG 206 Ca -0.00 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2uuu h ARG 206 Cb 0.75 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2uuu h ARG 206 CO 0.00 1.07 -0.35 0.39 -1.07 0.00 0.00 179.97 180.01 2uuu n GLU 207 N -4.21 0.18 -3.67 0.04 -0.58 -1.15 -4.97 120.64 106.27 2uuu n GLU 207 Ca -0.08 0.09 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 2uuu n GLU 207 Cb 0.62 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.88 2uuu n GLU 207 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2uuu n MET 208 N -1.93 -1.88 -4.14 3.49 2.81 0.44 -4.94 117.12 110.96 2uuu n MET 208 Ca 0.05 0.50 -0.12 0.00 -1.81 0.00 0.00 57.70 56.32 2uuu n MET 208 Cb 0.40 -4.41 -0.11 0.00 -0.71 0.00 0.00 33.22 28.39 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 -3.53 0.74 -0.01 2.03 -4.23 -0.93 -1.44 115.64 108.27 2uuu s THR 209 Ca 0.38 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 59.24 2uuu s THR 209 Cb -0.13 -1.30 -0.00 0.00 1.34 0.00 0.00 72.50 72.41 2uuu s THR 209 CO 0.85 -0.64 0.05 0.00 -0.54 0.00 0.00 174.62 174.34 2uuu s ALA 210 N -2.66 -0.12 -0.25 3.99 0.00 0.04 -0.26 121.76 122.49 2uuu s ALA 210 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 2uuu s ALA 210 Cb -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2uuu s ALA 210 CO -0.02 -0.09 0.12 0.00 0.00 0.00 0.00 175.76 175.77 2uuu s ILE 212 N 1.43 1.09 0.11 0.00 1.01 0.18 0.55 121.20 125.56 2uuu s ILE 212 Ca 0.06 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 59.93 2uuu s ILE 212 Cb -0.15 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.25 2uuu s ILE 212 CO 0.06 0.34 1.46 -1.10 0.00 0.00 0.00 174.94 175.70 2uuu s GLN 213 N 0.51 4.28 0.00 2.79 -0.21 -0.42 -1.26 119.66 125.35 2uuu s GLN 213 Ca -0.11 2.16 0.29 0.00 0.02 0.00 0.00 55.36 57.72 2uuu s GLN 213 Cb -0.14 -3.29 1.24 0.00 1.00 0.00 0.00 33.01 31.81 2uuu s GLN 213 CO 0.03 -0.52 1.87 1.33 -2.12 0.00 0.00 175.29 175.88 2uuu n VAL 214 N 4.10 0.00 0.71 1.09 0.24 -0.73 -2.75 118.33 121.00 2uuu n VAL 214 Ca 0.13 -0.04 0.08 0.00 -2.04 0.00 0.00 64.34 62.47 2uuu n VAL 214 Cb 0.41 -0.19 0.40 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 1.32 -0.94 3.76 7.63 0.00 -0.67 0.30 105.19 116.59 2uuu n GLY 215 Ca 0.13 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.74 2.47 0.45 -0.61 2.07 -1.10 -4.32 121.20 117.42 2uuu s ILE 216 Ca 0.13 0.44 -0.14 0.00 -1.41 0.00 0.00 60.65 59.68 2uuu s ILE 216 Cb 0.11 -3.28 -0.07 0.00 0.13 0.00 0.00 42.46 39.35 2uuu s ILE 216 CO 0.28 0.09 0.87 -0.04 -1.91 0.00 0.00 174.94 174.23 2uuu s MET 217 N -1.34 3.88 0.15 3.50 -1.94 -1.26 -2.38 119.30 119.91 2uuu s MET 217 Ca 0.54 0.71 -0.31 0.00 -1.71 0.00 0.00 55.69 54.93 2uuu s MET 217 Cb -0.43 -2.27 -0.06 0.00 2.01 0.00 0.00 34.83 34.08 2uuu s MET 217 CO 0.52 -0.13 1.55 0.78 -0.01 0.00 0.00 175.02 177.73 2uuu h GLY 218 N 1.17 -0.83 1.58 -0.03 0.00 -1.30 -0.52 103.07 103.14 2uuu h GLY 218 Ca -0.47 0.71 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 2uuu h GLY 218 CO 0.63 -0.08 -0.06 -2.55 0.00 0.00 0.00 176.54 174.47 2uuu h PRO 219 N -0.25 0.52 -0.51 4.80 0.11 -1.81 -1.63 132.00 133.22 2uuu h PRO 219 Ca 0.12 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2uuu h PRO 219 Cb 0.54 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 2uuu h PRO 219 CO -0.72 0.59 -0.14 1.49 -0.21 0.00 0.00 178.00 179.01 2uuu h GLU 220 N 0.49 0.98 0.17 1.05 4.57 -1.82 -0.41 114.58 119.61 2uuu h GLU 220 Ca 0.10 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2uuu h GLU 220 Cb 0.41 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2uuu h GLU 220 CO 0.02 1.05 -0.09 1.25 -1.18 0.00 0.00 179.01 180.05 2uuu h LEU 221 N 0.87 -0.23 -0.87 1.64 6.46 -0.67 -0.33 115.31 122.18 2uuu h LEU 221 Ca 0.13 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.83 2uuu h LEU 221 Cb 0.70 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.67 2uuu h LEU 221 CO 0.05 -0.16 0.00 -0.33 -0.62 0.00 0.00 178.44 177.39 2uuu h GLU 222 N -0.25 0.84 0.28 1.25 4.39 -1.16 -0.78 114.58 119.15 2uuu h GLU 222 Ca -0.02 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 2uuu h GLU 222 Cb 0.20 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2uuu h GLU 222 CO 0.03 0.84 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.36 2uuu h LYS 223 N 0.78 -0.37 -0.64 2.33 3.64 -1.00 -0.53 116.57 120.78 2uuu h LYS 223 Ca 0.15 0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2uuu h LYS 223 Cb 0.46 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2uuu h LYS 223 CO 0.02 -0.24 0.07 1.96 -2.27 0.00 0.00 179.45 178.99 2uuu h GLN 224 N -0.39 1.08 -0.66 1.90 1.08 -0.87 -2.67 115.11 114.58 2uuu h GLN 224 Ca -0.04 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 56.80 2uuu h GLN 224 Cb 0.30 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 2uuu h GLN 224 CO 0.06 1.01 0.16 -0.07 -0.95 0.00 0.00 178.83 179.05 2uuu h LEU 225 N 1.01 0.99 -1.19 1.46 3.38 -1.12 -3.01 115.31 116.83 2uuu h LEU 225 Ca 0.19 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2uuu h LEU 225 Cb 0.47 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 2uuu h LEU 225 CO 0.02 0.96 0.57 -0.74 0.09 0.00 0.00 178.44 179.34 2uuu h HIS 226 N 0.97 1.01 -0.41 1.13 2.76 -0.60 -0.78 115.15 119.23 2uuu h HIS 226 Ca 0.21 0.03 0.12 0.00 -2.20 0.00 0.00 60.37 58.52 2uuu h HIS 226 Cb 0.36 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 2uuu h HIS 226 CO 0.03 0.55 0.30 0.87 -1.30 0.00 0.00 177.93 178.38 2uuu h LYS 227 N 1.01 0.00 -0.62 5.26 1.57 -1.34 -0.14 116.57 122.31 2uuu h LYS 227 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 2uuu h LYS 227 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2uuu h LYS 227 CO -0.12 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.80 2uuu n GLN 228 N -4.33 3.27 -0.94 3.15 1.13 -0.38 -4.95 117.38 114.33 2uuu n GLN 228 Ca 0.07 -2.71 0.00 0.00 -1.94 0.00 0.00 57.00 52.42 2uuu n GLN 228 Cb 0.50 -1.71 0.00 0.00 0.11 0.00 0.00 30.24 29.14 2uuu n GLN 228 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2uuu n GLY 229 N 1.13 0.44 3.36 1.08 0.00 -0.07 -4.99 105.19 106.15 2uuu n GLY 229 Ca 0.23 -0.81 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.00 0.67 0.02 1.61 -7.23 -0.73 -2.15 120.40 110.59 2uuu s VAL 230 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2uuu s VAL 230 Cb 0.00 -2.64 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2uuu s VAL 230 CO 0.00 0.00 0.24 -0.55 -0.31 0.00 0.00 175.10 174.48 2uuu s SER 231 N -3.38 -0.06 -0.22 4.85 0.15 0.14 -2.21 113.70 112.97 2uuu s SER 231 Ca 0.36 -0.18 -0.18 0.00 0.70 0.00 0.00 55.95 56.65 2uuu s SER 231 Cb 0.07 0.29 -0.15 0.00 -1.71 0.00 0.00 66.02 64.53 2uuu s SER 231 CO 0.15 -0.51 -0.01 -0.11 1.20 0.00 0.00 173.24 173.96 2uuu n LEU 232 N 0.95 1.89 0.00 3.45 7.94 -1.26 -1.35 117.00 128.61 2uuu n LEU 232 Ca -0.20 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.11 2uuu n LEU 232 Cb 0.58 -0.91 0.00 0.00 0.53 0.00 0.00 43.42 43.62 2uuu n LEU 232 CO 0.22 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.37 2uuu n GLY 233 N 1.40 0.78 3.64 -3.96 0.00 -1.26 -4.82 105.19 100.97 2uuu n GLY 233 Ca -0.36 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 3.31 -0.43 1.61 5.04 -1.26 -4.48 115.29 117.07 2uuu s HIS 234 Ca 0.00 0.89 0.07 0.00 -1.54 0.00 0.00 55.06 54.48 2uuu s HIS 234 Cb 0.00 -2.86 0.23 0.00 0.04 0.00 0.00 32.58 29.99 2uuu s HIS 234 CO 0.00 -0.30 0.51 -3.47 -2.34 0.00 0.00 174.74 169.14 2uuu n ASP 235 N 5.59 0.54 -4.70 9.88 2.03 -1.26 -4.97 116.55 123.66 2uuu n ASP 235 Ca 0.00 -2.73 -0.30 0.00 0.52 0.00 0.00 54.79 52.28 2uuu n ASP 235 Cb 0.49 -0.63 0.14 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.07 1.25 0.45 -0.67 0.04 -1.23 -0.80 135.00 132.96 2uuu s PRO 236 Ca 0.35 1.06 0.31 0.00 0.04 0.00 0.00 61.00 62.76 2uuu s PRO 236 Cb 0.13 -1.79 1.48 0.00 0.04 0.00 0.00 34.50 34.36 2uuu s PRO 236 CO -0.12 -2.31 1.93 -0.44 0.04 0.00 0.00 177.00 176.10 2uuu h ASP 237 N -1.61 0.00 -0.60 6.66 5.19 -1.98 -0.41 116.42 123.67 2uuu h ASP 237 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2uuu h ASP 237 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.78 2uuu h ASP 237 CO 0.51 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.09 2uuu n SER 238 N -2.67 4.14 -0.33 6.45 3.41 -1.26 -4.63 113.62 118.73 2uuu n SER 238 Ca -0.00 -2.31 0.27 0.00 -0.26 0.00 0.00 58.87 56.56 2uuu n SER 238 Cb 0.17 -0.52 0.51 0.00 -0.26 0.00 0.00 64.21 64.10 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 3.72 0.82 0.00 7.33 3.57 -1.41 -1.21 116.94 129.75 2uuu h PHE 239 Ca 0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2uuu h PHE 239 Cb 1.23 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 2uuu h PHE 239 CO 0.64 -0.32 -0.34 0.93 -2.23 0.00 0.00 178.31 176.99 2uuu h GLU 240 N 0.16 0.00 -0.35 1.11 5.08 -1.85 -3.22 114.58 115.51 2uuu h GLU 240 Ca 0.77 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.87 2uuu h GLU 240 Cb 1.88 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.77 2uuu h GLU 240 CO -0.69 0.34 -0.98 1.19 -1.00 0.00 0.00 179.01 177.86 2uuu n PHE 241 N -3.66 1.14 -4.30 4.33 3.72 -0.49 -4.55 117.46 113.66 2uuu n PHE 241 Ca -0.01 -1.71 -0.16 0.00 -0.05 0.00 0.00 57.45 55.52 2uuu n PHE 241 Cb 0.45 -0.24 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 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 -3.29 1.24 0.23 4.37 1.04 -1.04 -4.49 113.70 111.75 2uuu s SER 242 Ca 0.34 -1.34 0.11 0.00 0.48 0.00 0.00 55.95 55.54 2uuu s SER 242 Cb 0.36 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 2uuu s SER 242 CO -0.06 -0.69 -0.19 0.42 0.98 0.00 0.00 173.24 173.70 2uuu s THR 243 N -3.72 2.21 0.16 2.02 -4.23 -1.26 -1.60 115.64 109.22 2uuu s THR 243 Ca 0.35 -2.23 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 2uuu s THR 243 Cb 0.07 -2.15 0.04 0.00 1.34 0.00 0.00 72.50 71.81 2uuu s THR 243 CO 0.12 -0.37 1.73 0.25 -0.54 0.00 0.00 174.62 175.80 2uuu h LEU 244 N 2.65 0.00 -0.59 4.79 5.85 -1.41 -0.19 115.31 126.41 2uuu h LEU 244 Ca -0.41 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.46 2uuu h LEU 244 Cb 1.23 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 2uuu h LEU 244 CO 0.57 0.04 0.20 1.23 -0.34 0.00 0.00 178.44 180.14 2uuu h GLY 245 N 0.20 0.80 1.01 3.75 0.00 -0.44 -1.15 103.07 107.24 2uuu h GLY 245 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2uuu h GLY 245 CO -0.24 -0.03 0.21 -1.33 0.00 0.00 0.00 176.54 175.15 2uuu h GLY 246 N 0.37 1.04 0.58 4.60 0.00 -1.68 -0.88 103.07 107.10 2uuu h GLY 246 Ca 0.30 -0.60 0.08 0.00 0.00 0.00 0.00 47.33 47.10 2uuu h GLY 246 CO -0.31 0.56 0.39 1.49 0.00 0.00 0.00 176.54 178.67 2uuu h TRP 247 N 0.90 0.71 -0.20 5.60 6.55 -0.22 -1.46 115.95 127.83 2uuu h TRP 247 Ca 0.20 0.03 -0.06 0.00 0.95 0.00 0.00 58.89 60.01 2uuu h TRP 247 Cb 0.27 -0.21 -0.00 0.00 -0.86 0.00 0.00 29.16 28.35 2uuu h TRP 247 CO 0.02 0.30 -0.10 -0.07 -1.05 0.00 0.00 178.44 177.54 2uuu h LEU 248 N 0.69 0.43 -1.01 -4.49 3.38 -1.11 -0.33 115.31 112.87 2uuu h LEU 248 Ca 0.34 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2uuu h LEU 248 Cb 0.28 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2uuu h LEU 248 CO -0.22 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.06 2uuu h ALA 249 N 0.69 1.00 -0.00 1.53 0.00 -0.94 -1.21 119.26 120.33 2uuu h ALA 249 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2uuu h ALA 249 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2uuu h ALA 249 CO 0.03 0.00 -0.24 0.25 0.00 0.00 0.00 179.25 179.29 2uuu n THR 250 N -2.62 0.00 -3.99 0.00 -2.24 -0.57 -1.28 114.28 103.58 2uuu n THR 250 Ca 0.02 -0.38 -0.27 0.00 -2.27 0.00 0.00 64.05 61.14 2uuu n THR 250 Cb 0.27 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 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 -4.27 5.09 0.51 0.00 1.04 -1.03 -4.97 113.70 110.07 2uuu s SER 252 Ca 0.06 2.31 -0.19 0.00 0.48 0.00 0.00 55.95 58.61 2uuu s SER 252 Cb -0.02 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 2uuu s SER 252 CO 0.90 -1.65 1.04 -0.94 0.98 0.00 0.00 173.24 173.57 2uuu s SER 253 N -1.80 6.24 0.04 7.02 1.04 -1.26 -4.53 113.70 120.45 2uuu s SER 253 Ca 0.75 1.88 0.04 0.00 0.48 0.00 0.00 55.95 59.10 2uuu s SER 253 Cb -0.28 -2.55 -0.02 0.00 0.10 0.00 0.00 66.02 63.27 2uuu s SER 253 CO 0.35 -0.85 -0.11 -0.83 0.98 0.00 0.00 173.24 172.79 2uuu s GLY 254 N -2.22 0.64 -0.13 7.32 0.00 -1.26 -3.57 107.32 108.10 2uuu s GLY 254 Ca 0.66 -0.77 0.14 0.00 0.00 0.00 0.00 44.72 44.74 2uuu s GLY 254 CO 0.24 -0.79 1.49 1.42 0.00 0.00 0.00 173.10 175.46 2uuu n HIS 255 N 1.72 1.39 -1.17 1.90 8.25 0.02 -2.51 115.22 124.82 2uuu n HIS 255 Ca -0.20 -0.52 0.09 0.00 -0.26 0.00 0.00 57.72 56.83 2uuu n HIS 255 Cb 0.55 -0.29 0.14 0.00 1.12 0.00 0.00 29.99 31.51 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 0.75 1.27 0.27 -0.41 3.00 -1.26 -4.55 117.38 116.45 2uuu n GLN 256 Ca 0.22 -2.62 0.15 0.00 -0.01 0.00 0.00 57.00 54.73 2uuu n GLN 256 Cb 0.85 -1.48 0.70 0.00 0.00 0.00 0.00 30.24 30.31 2uuu n GLN 256 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2uuu h SER 257 N 0.13 0.00 -0.05 1.08 4.64 -1.71 -1.48 113.55 116.16 2uuu h SER 257 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2uuu h SER 257 Cb 1.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2uuu h SER 257 CO 0.00 0.10 0.06 0.44 -0.87 0.00 0.00 176.83 176.55 2uuu h ASP 258 N 0.00 0.00 0.00 4.97 3.32 -1.85 -1.13 116.42 121.73 2uuu h ASP 258 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2uuu h ASP 258 Cb 0.46 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2uuu h ASP 258 CO 0.01 0.00 -2.18 1.17 -1.72 0.00 0.00 179.24 176.52 2uuu n LYS 259 N -3.83 0.50 0.00 3.56 3.00 -0.65 -4.78 118.16 115.95 2uuu n LYS 259 Ca -0.02 0.22 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 2uuu n LYS 259 Cb 0.15 -1.34 0.12 0.00 0.00 0.00 0.00 35.03 33.96 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 -4.09 0.00 -0.05 5.64 4.01 -0.66 -5.08 117.16 116.94 2uuu n TYR 260 Ca -0.43 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.31 2uuu n TYR 260 Cb 0.79 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 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 1.43 -3.18 3.91 2.72 0.00 -0.43 -4.77 105.19 104.87 2uuu n GLY 261 Ca 0.08 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.19 5.75 0.34 1.61 1.01 -1.26 -4.45 116.67 118.47 2uuu s ASP 262 Ca 0.00 0.88 0.05 0.00 0.71 0.00 0.00 52.55 54.19 2uuu s ASP 262 Cb 0.00 -1.91 0.69 0.00 1.01 0.00 0.00 42.92 42.71 2uuu s ASP 262 CO 0.00 -1.00 1.93 -0.29 0.21 0.00 0.00 175.17 176.02 2uuu h ILE 263 N -0.19 1.00 -0.39 0.77 6.09 -1.94 -0.95 117.51 121.91 2uuu h ILE 263 Ca -0.45 -0.29 -0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2uuu h ILE 263 Cb 1.24 0.09 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 2uuu h ILE 263 CO 0.61 0.15 0.24 1.05 -3.07 0.00 0.00 178.15 177.13 2uuu h GLU 264 N 0.83 0.52 0.00 2.19 9.09 -1.93 -0.48 114.58 124.80 2uuu h GLU 264 Ca 0.36 -0.04 -0.08 0.00 0.05 0.00 0.00 59.36 59.66 2uuu h GLU 264 Cb 0.33 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 2uuu h GLU 264 CO -0.14 0.37 -1.00 -0.44 0.05 0.00 0.00 179.01 177.85 2uuu h ASP 265 N 0.53 0.00 0.88 3.06 3.32 -1.59 -3.20 116.42 119.41 2uuu h ASP 265 Ca 0.14 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 2uuu h ASP 265 Cb -0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2uuu h ASP 265 CO -0.03 0.29 -0.15 0.24 -1.72 0.00 0.00 179.24 177.87 2uuu h MET 266 N 0.00 0.00 -6.19 3.56 2.86 -0.46 -3.43 114.93 111.27 2uuu h MET 266 Ca -0.06 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.99 2uuu h MET 266 Cb 1.27 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.84 2uuu h MET 266 CO 0.03 0.15 0.64 0.00 1.06 0.00 0.00 176.91 178.79 2uuu s ALA 267 N -3.72 3.32 -0.14 6.32 0.00 -0.27 -0.51 121.76 126.76 2uuu s ALA 267 Ca 0.00 -0.55 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 2uuu s ALA 267 Cb 0.10 -3.62 -0.21 0.00 0.00 0.00 0.00 23.12 19.39 2uuu s ALA 267 CO 0.60 -1.83 0.60 0.28 0.00 0.00 0.00 175.76 175.41 2uuu h VAL 268 N 5.95 1.43 -2.92 0.00 2.07 -1.34 -3.48 116.25 117.97 2uuu h VAL 268 Ca -0.23 -2.11 0.05 0.00 0.82 0.00 0.00 66.70 65.22 2uuu h VAL 268 Cb 1.07 2.74 -0.08 0.00 -1.52 0.00 0.00 31.29 33.50 2uuu h VAL 268 CO 1.02 0.49 0.25 -0.94 0.02 0.00 0.00 177.57 178.41 2uuu s SER 269 N -6.16 -0.38 0.22 0.57 1.04 -1.06 -4.88 113.70 103.05 2uuu s SER 269 Ca -0.17 -0.33 -0.23 0.00 0.48 0.00 0.00 55.95 55.71 2uuu s SER 269 Cb -0.02 0.64 0.04 0.00 0.10 0.00 0.00 66.02 66.79 2uuu s SER 269 CO 0.57 -1.13 0.73 0.72 0.98 0.00 0.00 173.24 175.11 2uuu s PHE 270 N -3.77 -0.28 -0.12 5.02 -0.12 -1.26 -0.11 117.98 117.34 2uuu s PHE 270 Ca 0.07 -0.08 -0.03 0.00 -0.05 0.00 0.00 56.93 56.85 2uuu s PHE 270 Cb -0.03 0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2uuu s PHE 270 CO -0.02 -1.04 -0.03 1.03 -0.05 0.00 0.00 175.22 175.11 2uuu s ARG 271 N -3.74 3.36 -0.15 1.99 0.52 -0.68 -3.32 118.95 116.92 2uuu s ARG 271 Ca 0.08 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2uuu s ARG 271 Cb -0.04 -2.83 0.03 0.00 0.52 0.00 0.00 34.95 32.62 2uuu s ARG 271 CO 0.00 0.43 -0.13 0.99 0.02 0.00 0.00 175.30 176.61 2uuu s THR 272 N -0.14 1.53 -0.25 0.02 2.01 -0.37 -1.60 115.64 116.84 2uuu s THR 272 Ca 0.03 -0.66 -0.20 0.00 0.31 0.00 0.00 61.69 61.17 2uuu s THR 272 Cb -0.13 -1.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2uuu s THR 272 CO 0.02 0.40 0.62 -0.69 -0.69 0.00 0.00 174.62 174.28 2uuu s VAL 273 N 1.50 5.00 0.32 3.82 1.01 0.54 -0.70 120.40 131.88 2uuu s VAL 273 Ca 0.04 1.10 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2uuu s VAL 273 Cb -0.13 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 2uuu s VAL 273 CO -0.10 0.04 -0.08 0.42 0.00 0.00 0.00 175.10 175.37 2uuu s THR 274 N 2.45 2.01 -0.75 3.92 -4.23 -0.52 -1.11 115.64 117.41 2uuu s THR 274 Ca 0.26 -2.18 0.12 0.00 -1.18 0.00 0.00 61.69 58.70 2uuu s THR 274 Cb -0.16 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.24 2uuu s THR 274 CO 0.09 -0.25 1.37 -2.65 -0.54 0.00 0.00 174.62 172.64 2uuu n PRO 275 N -0.70 0.06 -0.22 3.99 -0.02 -1.25 -1.76 135.00 135.10 2uuu n PRO 275 Ca -0.05 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 2uuu n PRO 275 Cb 0.63 -1.65 0.17 0.00 -0.02 0.00 0.00 33.50 32.63 2uuu n PRO 275 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2uuu n THR 276 N -1.77 1.82 0.00 3.45 -2.24 -1.21 -4.94 114.28 109.38 2uuu n THR 276 Ca 0.01 -1.80 0.00 0.00 -2.27 0.00 0.00 64.05 59.99 2uuu n THR 276 Cb 0.09 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 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 -0.72 2.16 3.67 3.38 0.00 -0.72 -5.05 105.19 107.92 2uuu n GLY 277 Ca 0.15 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.72 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 -1.66 5.11 -0.29 2.61 2.01 -1.26 -1.44 115.64 120.71 2uuu s THR 278 Ca 0.00 0.97 -0.20 0.00 0.31 0.00 0.00 61.69 62.78 2uuu s THR 278 Cb 0.00 -3.85 -0.01 0.00 0.01 0.00 0.00 72.50 68.65 2uuu s THR 278 CO 0.00 0.19 0.60 -0.76 -0.69 0.00 0.00 174.62 173.96 2uuu s LEU 279 N 1.55 4.13 0.01 4.42 1.43 0.12 -4.96 118.68 125.38 2uuu s LEU 279 Ca 0.25 0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2uuu s LEU 279 Cb -0.15 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 2uuu s LEU 279 CO 0.10 -0.42 0.11 -1.61 0.23 0.00 0.00 176.35 174.75 2uuu s GLU 280 N 2.52 3.12 0.15 1.70 0.41 -1.26 -1.23 118.70 124.10 2uuu s GLU 280 Ca 0.24 -0.49 0.11 0.00 -0.41 0.00 0.00 54.97 54.42 2uuu s GLU 280 Cb -0.15 -2.89 -0.04 0.00 -1.78 0.00 0.00 34.13 29.27 2uuu s GLU 280 CO 0.11 0.64 -0.23 -0.51 -0.49 0.00 0.00 175.26 174.78 2uuu s LEU 281 N -1.93 2.49 0.00 1.80 1.43 -1.21 -5.05 118.68 116.21 2uuu s LEU 281 Ca 0.25 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2uuu s LEU 281 Cb -0.12 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.79 2uuu s LEU 281 CO 0.17 0.16 0.00 0.54 0.23 0.00 0.00 176.35 177.45 2uuu n ARG 282 N 0.63 0.00 0.00 1.70 1.74 -1.26 -4.70 116.66 114.76 2uuu n ARG 282 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2uuu n ARG 282 Cb 0.54 -0.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 2uuu n ARG 282 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uuu n GLY 290 N 2.70 2.48 3.71 -0.13 0.00 -1.26 -4.72 105.19 107.97 2uuu n GLY 290 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 4.42 -1.05 -0.61 -1.09 -1.26 -4.99 121.20 116.63 2uuu s ILE 291 Ca 0.00 1.74 -0.21 0.00 -2.23 0.00 0.00 60.65 59.94 2uuu s ILE 291 Cb 0.00 -4.11 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 2uuu s ILE 291 CO 0.00 0.12 1.44 0.21 -1.23 0.00 0.00 174.94 175.48 2uuu s ASN 292 N 1.07 6.58 0.59 3.58 3.84 -1.26 -4.90 114.94 124.44 2uuu s ASN 292 Ca 0.55 -1.72 0.33 0.00 0.21 0.00 0.00 52.86 52.23 2uuu s ASN 292 Cb -0.25 -2.54 1.87 0.00 -0.55 0.00 0.00 41.25 39.78 2uuu s ASN 292 CO 0.28 -1.37 2.24 1.88 -2.79 0.00 0.00 177.10 177.33 2uuu h TYR 293 N 9.28 0.00 -0.63 0.43 -1.99 -2.02 -2.91 116.97 119.13 2uuu h TYR 293 Ca 0.23 0.00 0.17 0.00 2.00 0.00 0.00 58.73 61.13 2uuu h TYR 293 Cb 0.99 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.69 2uuu h TYR 293 CO 1.28 0.02 0.44 1.57 -0.00 0.00 0.00 178.16 181.48 2uuu h LYS 294 N 0.00 0.08 0.00 4.88 2.10 -1.97 -0.90 116.57 120.77 2uuu h LYS 294 Ca -0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2uuu h LYS 294 Cb 0.08 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2uuu h LYS 294 CO 0.00 0.05 0.00 0.72 -2.00 0.00 0.00 179.45 178.23 2uuu n HIS 295 N -4.38 0.74 0.06 0.07 8.25 -1.10 -1.76 115.22 117.10 2uuu n HIS 295 Ca 0.12 0.29 -0.08 0.00 -0.26 0.00 0.00 57.72 57.79 2uuu n HIS 295 Cb 0.64 -0.97 0.05 0.00 1.12 0.00 0.00 29.99 30.84 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 1.39 0.02 1.59 2.04 -1.39 -3.36 117.51 117.80 2uuu h ILE 296 Ca 0.00 -2.12 -0.34 0.00 1.00 0.00 0.00 64.86 63.40 2uuu h ILE 296 Cb 0.36 2.09 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 2uuu h ILE 296 CO 0.00 0.63 -2.06 -0.38 0.00 0.00 0.00 178.15 176.34 2uuu n ILE 297 N -3.84 1.54 -1.82 -0.67 2.08 -0.91 -4.68 119.36 111.06 2uuu n ILE 297 Ca -0.04 -0.78 -0.42 0.00 0.56 0.00 0.00 62.75 62.08 2uuu n ILE 297 Cb 0.69 -0.96 -0.02 0.00 -0.75 0.00 0.00 39.64 38.60 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 -6.04 4.36 0.00 1.39 1.43 -0.72 -1.72 118.68 117.38 2uuu s LEU 298 Ca -0.12 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 2uuu s LEU 298 Cb 0.07 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2uuu s LEU 298 CO 0.80 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 177.10 2uuu n GLY 299 N 2.74 0.78 0.01 -3.19 0.00 -0.46 -4.92 105.19 100.15 2uuu n GLY 299 Ca 0.10 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.01 0.03 -3.90 1.61 3.41 -0.70 -4.74 113.62 109.33 2uuu n SER 300 Ca 0.00 -0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 57.89 2uuu n SER 300 Cb 0.00 -0.19 -0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.18 -4.13 -0.96 4.33 1.02 -0.41 -1.69 120.64 117.63 2uuu n GLU 301 Ca 0.17 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2uuu n GLU 301 Cb 0.21 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 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 -1.45 0.44 0.14 0.62 0.00 -1.26 -4.88 105.19 98.80 2uuu n GLY 302 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.52 0.00 -1.04 2.61 -2.24 -0.68 -3.49 114.28 106.93 2uuu n THR 303 Ca 0.00 -0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 2uuu n THR 303 Cb 0.11 0.25 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.01 1.33 0.00 3.22 4.77 -1.26 -4.76 117.00 119.29 2uuu n LEU 304 Ca 0.10 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 2uuu n LEU 304 Cb 0.33 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2uuu n LEU 304 CO 0.29 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2uuu n GLY 305 N -0.64 0.83 3.31 -0.72 0.00 -1.26 -4.78 105.19 101.94 2uuu n GLY 305 Ca 0.06 -2.27 -0.35 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 -0.92 3.35 0.05 -0.61 -1.09 -0.27 -4.50 121.20 117.22 2uuu s ILE 306 Ca 0.00 -0.50 -0.30 0.00 -2.23 0.00 0.00 60.65 57.62 2uuu s ILE 306 Cb 0.00 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.31 2uuu s ILE 306 CO 0.00 0.43 1.07 -0.63 -1.23 0.00 0.00 174.94 174.58 2uuu s ILE 307 N 1.47 4.42 -0.12 2.92 1.01 -1.26 -0.34 121.20 129.29 2uuu s ILE 307 Ca 0.06 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.41 2uuu s ILE 307 Cb -0.14 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 2uuu s ILE 307 CO -0.03 0.17 -0.20 0.35 0.00 0.00 0.00 174.94 175.23 2uuu n THR 308 N 3.65 1.01 -4.34 2.92 -2.24 -0.63 -4.80 114.28 109.86 2uuu n THR 308 Ca 0.06 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2uuu n THR 308 Cb 0.49 -1.80 -0.15 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.35 0.80 -0.02 -0.78 2.02 -1.26 -1.77 118.70 115.34 2uuu s GLU 309 Ca -0.20 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 54.56 2uuu s GLU 309 Cb 0.06 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.52 2uuu s GLU 309 CO 0.26 0.13 -0.17 0.00 0.02 0.00 0.00 175.26 175.50 2uuu s ALA 310 N 0.06 1.42 -0.37 5.21 0.00 -0.39 -1.68 121.76 126.00 2uuu s ALA 310 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.08 2uuu s ALA 310 Cb -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.66 2uuu s ALA 310 CO 0.00 0.32 0.47 0.08 0.00 0.00 0.00 175.76 176.62 2uuu s VAL 311 N -0.24 5.06 -0.02 0.00 1.01 0.84 -0.65 120.40 126.39 2uuu s VAL 311 Ca 0.03 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2uuu s VAL 311 Cb -0.08 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2uuu s VAL 311 CO 0.00 -0.26 -0.03 -0.04 0.00 0.00 0.00 175.10 174.77 2uuu s MET 312 N 2.27 2.73 0.05 2.72 -1.94 0.55 -1.00 119.30 124.68 2uuu s MET 312 Ca 0.16 -0.61 -0.31 0.00 -1.71 0.00 0.00 55.69 53.22 2uuu s MET 312 Cb -0.16 -2.62 -0.06 0.00 2.01 0.00 0.00 34.83 34.00 2uuu s MET 312 CO 0.13 0.64 1.34 0.21 -0.01 0.00 0.00 175.02 177.33 2uuu s LYS 313 N -1.30 4.34 0.41 2.03 2.47 0.34 -0.78 119.74 127.24 2uuu s LYS 313 Ca 0.17 1.94 0.06 0.00 -1.56 0.00 0.00 55.97 56.57 2uuu s LYS 313 Cb -0.11 -3.40 -0.07 0.00 -1.46 0.00 0.00 37.83 32.79 2uuu s LYS 313 CO 0.07 -0.44 0.02 0.14 0.16 0.00 0.00 175.35 175.30 2uuu s VAL 314 N 1.60 1.72 0.19 4.02 -7.23 -0.52 -4.84 120.40 115.34 2uuu s VAL 314 Ca 0.62 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.84 2uuu s VAL 314 Cb -0.32 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.73 2uuu s VAL 314 CO 0.28 0.00 -0.08 -1.38 -0.31 0.00 0.00 175.10 173.61 2uuu s HIS 315 N -2.84 1.47 0.42 2.82 -3.43 -0.46 -4.69 115.29 108.58 2uuu s HIS 315 Ca 0.31 -0.76 -0.26 0.00 -0.80 0.00 0.00 55.06 53.55 2uuu s HIS 315 Cb 0.09 -0.77 -0.09 0.00 -1.43 0.00 0.00 32.58 30.37 2uuu s HIS 315 CO 0.16 0.12 1.44 0.00 -2.00 0.00 0.00 174.74 174.46 2uuu s ALA 316 N -3.26 3.37 0.02 -1.38 0.00 -1.26 -0.68 121.76 118.57 2uuu s ALA 316 Ca 0.22 1.49 -0.35 0.00 0.00 0.00 0.00 51.96 53.32 2uuu s ALA 316 Cb 0.03 -3.59 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 2uuu s ALA 316 CO 0.05 -1.12 1.71 0.28 0.00 0.00 0.00 175.76 176.68 2uuu n VAL 317 N 0.08 0.28 -1.69 0.00 0.31 -0.92 -4.72 118.33 111.67 2uuu n VAL 317 Ca 0.03 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 2uuu n VAL 317 Cb 0.41 -1.63 -0.01 0.00 -0.91 0.00 0.00 33.84 31.70 2uuu n VAL 317 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2uuu n PRO 318 N 4.94 2.12 -0.24 5.55 -0.02 -1.26 -4.92 135.00 141.16 2uuu n PRO 318 Ca 0.20 0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 62.41 2uuu n PRO 318 Cb 0.28 -2.35 0.10 0.00 -0.02 0.00 0.00 33.50 31.51 2uuu n PRO 318 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2uuu h GLN 319 N 2.96 0.70 -5.47 -0.52 4.15 -1.88 -3.44 115.11 111.62 2uuu h GLN 319 Ca -0.46 -0.04 -0.60 0.00 0.77 0.00 0.00 58.65 58.32 2uuu h GLN 319 Cb 1.28 -0.16 -0.31 0.00 0.21 0.00 0.00 27.48 28.50 2uuu h GLN 319 CO 0.66 0.47 -0.85 0.00 -1.93 0.00 0.00 178.83 177.17 2uuu s ALA 320 N -6.10 1.72 -0.16 3.38 0.00 -0.07 -4.89 121.76 115.64 2uuu s ALA 320 Ca -0.13 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2uuu s ALA 320 Cb 0.16 -0.57 0.05 0.00 0.00 0.00 0.00 23.12 22.77 2uuu s ALA 320 CO 0.76 0.31 0.04 0.08 0.00 0.00 0.00 175.76 176.95 2uuu s VAL 321 N 0.02 0.39 -0.12 0.00 1.01 -1.26 -1.52 120.40 118.92 2uuu s VAL 321 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 2uuu s VAL 321 Cb -0.13 -0.85 0.04 0.00 0.00 0.00 0.00 36.38 35.45 2uuu s VAL 321 CO 0.03 -0.12 0.01 -1.61 0.00 0.00 0.00 175.10 173.41 2uuu s GLU 322 N 1.93 0.69 -0.04 2.72 2.02 -0.18 -4.60 118.70 121.23 2uuu s GLU 322 Ca 0.01 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 54.94 2uuu s GLU 322 Cb -0.16 -1.43 -0.01 0.00 0.10 0.00 0.00 34.13 32.63 2uuu s GLU 322 CO -0.07 -0.42 -0.21 0.71 0.02 0.00 0.00 175.26 175.28 2uuu s TYR 323 N 1.91 2.02 0.09 1.61 1.51 -1.26 -0.51 117.35 122.73 2uuu s TYR 323 Ca 0.03 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.58 2uuu s TYR 323 Cb -0.14 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2uuu s TYR 323 CO -0.06 -0.16 -0.13 0.71 -1.11 0.00 0.00 175.55 174.80 2uuu s TYR 324 N -0.14 1.21 0.09 2.71 2.02 0.61 -3.52 117.35 120.33 2uuu s TYR 324 Ca -0.02 -0.53 0.06 0.00 -0.37 0.00 0.00 57.07 56.21 2uuu s TYR 324 Cb -0.12 -0.66 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 2uuu s TYR 324 CO 0.02 0.06 -0.06 0.20 -1.57 0.00 0.00 175.55 174.21 2uuu s GLY 325 N -2.10 1.85 -0.01 0.71 0.00 -0.98 -0.80 107.32 105.98 2uuu s GLY 325 Ca 0.02 -1.18 -0.05 0.00 0.00 0.00 0.00 44.72 43.51 2uuu s GLY 325 CO 0.02 -1.16 0.10 -1.36 0.00 0.00 0.00 173.10 170.71 2uuu s PHE 326 N -1.25 0.02 0.03 1.90 0.08 -0.20 -0.59 117.98 117.97 2uuu s PHE 326 Ca 0.23 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.26 2uuu s PHE 326 Cb -0.11 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.26 2uuu s PHE 326 CO 0.15 -0.19 0.03 -0.51 -0.10 0.00 0.00 175.22 174.61 2uuu s LEU 327 N -0.89 3.65 0.13 -0.37 1.43 0.10 -0.54 118.68 122.18 2uuu s LEU 327 Ca -0.10 -0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.10 2uuu s LEU 327 Cb -0.06 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2uuu s LEU 327 CO 0.01 0.24 -0.27 -0.36 0.23 0.00 0.00 176.35 176.20 2uuu s PHE 328 N -1.22 2.28 0.37 0.29 0.08 0.13 -0.47 117.98 119.45 2uuu s PHE 328 Ca 0.23 -0.38 0.15 0.00 0.12 0.00 0.00 56.93 57.06 2uuu s PHE 328 Cb -0.12 -1.23 0.85 0.00 -0.57 0.00 0.00 43.02 41.95 2uuu s PHE 328 CO 0.15 0.34 1.87 -1.35 -0.10 0.00 0.00 175.22 176.13 2uuu h PRO 329 N 3.86 0.00 -3.66 0.24 0.11 -1.87 -2.23 132.00 128.46 2uuu h PRO 329 Ca -0.51 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 2uuu h PRO 329 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 2uuu h PRO 329 CO 0.39 0.31 -0.27 0.95 -0.21 0.00 0.00 178.00 179.17 2uuu s THR 330 N -4.22 0.12 0.28 -1.15 -4.23 -1.24 -3.54 115.64 101.66 2uuu s THR 330 Ca -0.03 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2uuu s THR 330 Cb 0.14 -1.26 0.28 0.00 1.34 0.00 0.00 72.50 73.00 2uuu s THR 330 CO 0.70 -0.53 1.84 0.15 -0.54 0.00 0.00 174.62 176.24 2uuu h PHE 331 N 2.66 1.15 -0.51 3.99 3.57 -1.89 -2.64 116.94 123.27 2uuu h PHE 331 Ca -0.34 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.28 2uuu h PHE 331 Cb 1.22 -0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.52 2uuu h PHE 331 CO 0.40 0.47 0.12 0.00 -2.23 0.00 0.00 178.31 177.07 2uuu h ALA 332 N 1.53 0.58 -0.50 2.41 0.00 -1.96 -0.50 119.26 120.82 2uuu h ALA 332 Ca 0.49 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.53 2uuu h ALA 332 Cb 0.45 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2uuu h ALA 332 CO -0.25 -0.29 0.29 0.45 0.00 0.00 0.00 179.25 179.44 2uuu h HIS 333 N 0.26 0.53 -0.60 0.00 3.86 -1.81 -1.51 115.15 115.88 2uuu h HIS 333 Ca 0.25 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 2uuu h HIS 333 Cb 0.33 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 2uuu h HIS 333 CO -0.22 0.30 0.29 0.00 0.86 0.00 0.00 177.93 179.16 2uuu h ALA 334 N 1.23 0.78 -0.57 2.45 0.00 -1.23 -1.46 119.26 120.46 2uuu h ALA 334 Ca 0.20 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2uuu h ALA 334 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2uuu h ALA 334 CO -0.10 0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.93 2uuu h VAL 335 N 0.82 1.24 -0.50 0.00 2.07 -0.87 -1.67 116.25 117.34 2uuu h VAL 335 Ca 0.21 -0.84 0.04 0.00 0.82 0.00 0.00 66.70 66.93 2uuu h VAL 335 Cb 0.11 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2uuu h VAL 335 CO -0.03 0.31 0.27 -1.28 0.02 0.00 0.00 177.57 176.86 2uuu h SER 336 N 0.80 0.40 -0.38 0.57 0.87 -1.10 -1.66 113.55 113.04 2uuu h SER 336 Ca 0.18 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 2uuu h SER 336 Cb 0.31 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 2uuu h SER 336 CO -0.00 0.28 0.25 0.00 -0.53 0.00 0.00 176.83 176.82 2uuu h ALA 337 N 1.26 0.48 -0.69 6.23 0.00 -1.01 -1.30 119.26 124.24 2uuu h ALA 337 Ca 0.22 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2uuu h ALA 337 Cb 0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2uuu h ALA 337 CO -0.14 -0.06 0.40 -0.07 0.00 0.00 0.00 179.25 179.37 2uuu h LEU 338 N 0.51 0.60 -0.29 0.00 4.07 -0.94 0.85 115.31 120.10 2uuu h LEU 338 Ca 0.14 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.09 2uuu h LEU 338 Cb -0.05 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2uuu h LEU 338 CO -0.04 0.39 0.06 1.56 -1.08 0.00 0.00 178.44 179.34 2uuu h GLN 339 N 0.74 0.48 -0.28 1.13 4.20 -1.05 -2.03 115.11 118.29 2uuu h GLN 339 Ca 0.30 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.80 2uuu h GLN 339 Cb 0.16 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2uuu h GLN 339 CO -0.17 0.56 -0.21 1.96 -0.67 0.00 0.00 178.83 180.30 2uuu h GLN 340 N 0.31 0.52 0.17 1.46 4.20 -0.96 -1.40 115.11 119.41 2uuu h GLN 340 Ca 0.09 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2uuu h GLN 340 Cb 0.31 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2uuu h GLN 340 CO 0.00 0.70 -0.08 0.82 -0.67 0.00 0.00 178.83 179.60 2uuu h ILE 341 N 0.46 0.87 -0.74 2.54 2.04 -0.69 -1.86 117.51 120.13 2uuu h ILE 341 Ca 0.07 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 2uuu h ILE 341 Cb 0.62 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2uuu h ILE 341 CO 0.04 0.04 0.34 -0.09 0.00 0.00 0.00 178.15 178.49 2uuu h ARG 342 N -0.31 1.08 -0.14 2.37 2.43 -1.23 -2.63 114.38 115.95 2uuu h ARG 342 Ca -0.02 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 2uuu h ARG 342 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2uuu h ARG 342 CO 0.04 0.85 -0.01 0.77 -1.51 0.00 0.00 179.97 180.11 2uuu h SER 343 N 1.05 0.18 0.87 -3.80 0.02 -1.19 -1.74 113.55 108.94 2uuu h SER 343 Ca 0.25 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 2uuu h SER 343 Cb 0.14 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2uuu h SER 343 CO -0.03 0.23 -0.03 0.77 -1.14 0.00 0.00 176.83 176.64 2uuu h SER 344 N 0.20 0.00 -0.09 3.07 4.64 -0.95 -3.46 113.55 116.96 2uuu h SER 344 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2uuu h SER 344 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2uuu h SER 344 CO 0.00 0.03 -0.03 -0.62 -0.87 0.00 0.00 176.83 175.34 2uuu n GLU 345 N -3.15 -0.81 -3.98 4.77 1.02 -0.65 -4.97 120.64 112.86 2uuu n GLU 345 Ca 0.00 0.34 -0.31 0.00 -0.02 0.00 0.00 57.16 57.17 2uuu n GLU 345 Cb 0.29 -4.03 -0.14 0.00 -0.02 0.00 0.00 31.44 27.53 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 -1.73 2.45 0.13 2.62 1.01 -1.26 -5.10 120.40 118.52 2uuu s VAL 346 Ca 0.00 -2.76 0.07 0.00 0.00 0.00 0.00 61.98 59.30 2uuu s VAL 346 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2uuu s VAL 346 CO 0.00 -0.69 -0.06 0.27 0.00 0.00 0.00 175.10 174.62 2uuu s ILE 347 N 0.40 3.53 0.93 2.22 -4.36 -1.26 -4.70 121.20 117.96 2uuu s ILE 347 Ca 0.13 -1.32 -0.12 0.00 -0.26 0.00 0.00 60.65 59.09 2uuu s ILE 347 Cb -0.22 -2.70 0.15 0.00 1.25 0.00 0.00 42.46 40.94 2uuu s ILE 347 CO -0.05 0.02 1.09 -2.16 0.24 0.00 0.00 174.94 174.09 2uuu s PRO 348 N -2.50 0.98 0.19 0.37 0.04 -1.26 -4.97 135.00 127.85 2uuu s PRO 348 Ca 0.24 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 62.12 2uuu s PRO 348 Cb -0.10 -1.77 0.11 0.00 0.04 0.00 0.00 34.50 32.77 2uuu s PRO 348 CO 0.16 -2.45 1.53 1.15 0.04 0.00 0.00 177.00 177.42 2uuu h THR 349 N -1.70 1.30 -3.22 1.26 2.02 -1.33 -3.43 112.91 107.81 2uuu h THR 349 Ca -0.50 -1.65 -0.16 0.00 0.77 0.00 0.00 66.41 64.86 2uuu h THR 349 Cb 1.29 1.59 -0.24 0.00 -1.74 0.00 0.00 68.15 69.04 2uuu h THR 349 CO 0.53 0.53 -0.44 -0.32 0.37 0.00 0.00 175.52 176.19 2uuu s MET 350 N -4.19 0.34 0.01 6.66 -2.45 -1.01 -4.18 119.30 114.49 2uuu s MET 350 Ca -0.08 0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 2uuu s MET 350 Cb 0.12 0.16 -0.01 0.00 1.25 0.00 0.00 34.83 36.34 2uuu s MET 350 CO 0.85 -0.06 -0.02 -1.50 1.05 0.00 0.00 175.02 175.33 2uuu s ILE 351 N -0.25 0.11 -0.06 10.11 2.07 -1.26 -1.06 121.20 130.86 2uuu s ILE 351 Ca -0.04 -0.55 -0.04 0.00 -1.41 0.00 0.00 60.65 58.62 2uuu s ILE 351 Cb -0.03 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.40 2uuu s ILE 351 CO 0.01 -0.28 0.15 -0.60 -1.91 0.00 0.00 174.94 172.31 2uuu s ARG 352 N -0.86 0.13 -0.18 3.50 3.52 -0.55 -4.58 118.95 119.92 2uuu s ARG 352 Ca -0.09 0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 55.82 2uuu s ARG 352 Cb -0.06 -0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 2uuu s ARG 352 CO -0.00 -0.12 -0.09 0.08 -0.81 0.00 0.00 175.30 174.35 2uuu s VAL 353 N 0.82 3.11 -0.18 7.11 1.01 -0.44 -1.60 120.40 130.23 2uuu s VAL 353 Ca -0.06 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2uuu s VAL 353 Cb -0.08 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2uuu s VAL 353 CO -0.04 0.48 0.13 -0.31 0.00 0.00 0.00 175.10 175.35 2uuu s TYR 354 N 1.00 3.44 0.96 5.22 2.02 0.64 -0.50 117.35 130.14 2uuu s TYR 354 Ca -0.01 0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.92 2uuu s TYR 354 Cb -0.15 -2.10 0.17 0.00 -0.40 0.00 0.00 41.96 39.48 2uuu s TYR 354 CO -0.01 0.38 1.12 0.16 -1.57 0.00 0.00 175.55 175.63 2uuu s ASP 355 N 0.05 2.99 0.30 2.29 -4.77 -0.56 -3.16 116.67 113.82 2uuu s ASP 355 Ca 0.09 1.04 0.03 0.00 -3.30 0.00 0.00 52.55 50.41 2uuu s ASP 355 Cb -0.11 -1.65 0.60 0.00 -1.09 0.00 0.00 42.92 40.66 2uuu s ASP 355 CO -0.01 -2.89 1.86 -0.65 0.70 0.00 0.00 175.17 174.19 2uuu h PRO 356 N -1.73 0.92 -0.32 2.11 0.11 -1.84 0.17 132.00 131.43 2uuu h PRO 356 Ca -0.53 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 2uuu h PRO 356 Cb 1.33 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2uuu h PRO 356 CO 0.60 0.61 0.05 0.93 -0.21 0.00 0.00 178.00 179.97 2uuu h GLU 357 N 0.95 0.53 -0.10 1.05 3.07 -1.89 -0.41 114.58 117.78 2uuu h GLU 357 Ca 0.46 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 2uuu h GLU 357 Cb 0.46 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2uuu h GLU 357 CO -0.22 0.63 -0.31 1.49 -1.40 0.00 0.00 179.01 179.20 2uuu h GLU 358 N 0.36 0.19 -0.39 2.33 4.81 -1.76 -2.30 114.58 117.82 2uuu h GLU 358 Ca 0.10 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2uuu h GLU 358 Cb 0.35 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2uuu h GLU 358 CO 0.01 0.48 0.18 1.15 -0.73 0.00 0.00 179.01 180.10 2uuu h THR 359 N 0.17 1.18 -0.37 0.32 2.02 -0.69 -0.81 112.91 114.72 2uuu h THR 359 Ca 0.02 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2uuu h THR 359 Cb 0.63 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2uuu h THR 359 CO 0.05 0.19 0.21 1.56 0.37 0.00 0.00 175.52 177.90 2uuu h GLN 360 N 0.50 0.52 -0.27 6.66 4.20 -1.01 -1.99 115.11 123.72 2uuu h GLN 360 Ca 0.13 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.83 2uuu h GLN 360 Cb 0.14 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2uuu h GLN 360 CO -0.02 0.41 0.05 1.25 -0.67 0.00 0.00 178.83 179.86 2uuu h LEU 361 N 0.48 0.01 -0.44 1.46 5.85 -1.29 -0.84 115.31 120.53 2uuu h LEU 361 Ca 0.13 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2uuu h LEU 361 Cb 0.04 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 2uuu h LEU 361 CO -0.02 0.04 0.05 0.28 -0.34 0.00 0.00 178.44 178.44 2uuu h SER 362 N 0.15 -0.08 1.15 1.25 0.02 -0.77 -2.05 113.55 113.22 2uuu h SER 362 Ca 0.13 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2uuu h SER 362 Cb 0.13 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2uuu h SER 362 CO -0.17 -0.01 -0.22 -0.26 -1.14 0.00 0.00 176.83 175.04 2uuu h PHE 363 N 0.17 0.00 0.00 3.45 0.04 -1.06 -3.00 116.94 116.54 2uuu h PHE 363 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2uuu h PHE 363 Cb 0.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.44 2uuu h PHE 363 CO -0.25 0.22 0.00 0.00 -0.60 0.00 0.00 178.31 177.68 2uuu h ALA 364 N 1.78 1.00 -0.22 2.45 0.00 -0.47 -3.26 119.26 120.54 2uuu h ALA 364 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2uuu h ALA 364 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2uuu h ALA 364 CO 0.03 0.00 0.00 1.87 0.00 0.00 0.00 179.25 181.15 2uuu n TRP 365 N -2.51 0.65 -2.32 0.00 -0.00 -0.94 -2.85 117.44 109.46 2uuu n TRP 365 Ca 0.05 -0.24 -0.42 0.00 -0.00 0.00 0.00 57.50 56.89 2uuu n TRP 365 Cb 0.43 -0.19 -0.03 0.00 -0.00 0.00 0.00 31.31 31.52 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 -1.63 4.36 0.60 5.87 2.20 -1.23 -4.99 119.74 124.92 2uuu s LYS 366 Ca 0.19 1.88 -0.15 0.00 -0.36 0.00 0.00 55.97 57.52 2uuu s LYS 366 Cb 0.13 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 2uuu s LYS 366 CO 0.07 -0.39 1.06 -1.25 -0.36 0.00 0.00 175.35 174.47 2uuu s PRO 367 N 1.51 3.28 0.00 4.03 0.04 -1.26 -4.06 135.00 138.53 2uuu s PRO 367 Ca 0.61 1.18 0.30 0.00 0.04 0.00 0.00 61.00 63.13 2uuu s PRO 367 Cb -0.31 -2.03 1.40 0.00 0.04 0.00 0.00 34.50 33.60 2uuu s PRO 367 CO 0.28 -0.84 1.95 -1.13 0.04 0.00 0.00 177.00 177.30 2uuu n SER 368 N -2.13 0.55 -4.10 6.66 3.41 -0.62 -4.85 113.62 112.54 2uuu n SER 368 Ca 0.09 -0.90 -0.12 0.00 -0.26 0.00 0.00 58.87 57.68 2uuu n SER 368 Cb 0.53 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 2uuu n SER 368 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2uuu s LYS 369 N -2.23 0.63 0.03 4.33 1.02 -1.26 -5.04 119.74 117.22 2uuu s LYS 369 Ca 0.37 -0.97 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 2uuu s LYS 369 Cb 0.21 -0.23 0.09 0.00 -0.52 0.00 0.00 37.83 37.38 2uuu s LYS 369 CO 0.41 0.02 0.80 0.20 -0.92 0.00 0.00 175.35 175.86 2uuu s GLY 370 N -2.12 -0.51 0.68 -3.33 0.00 -1.26 -5.10 107.32 95.68 2uuu s GLY 370 Ca -0.02 0.95 -0.16 0.00 0.00 0.00 0.00 44.72 45.48 2uuu s GLY 370 CO -0.02 0.37 1.23 0.00 0.00 0.00 0.00 173.10 174.68 2uuu s ALA 371 N -3.05 2.27 0.51 3.20 0.00 -1.26 -4.89 121.76 118.55 2uuu s ALA 371 Ca 0.02 0.98 0.29 0.00 0.00 0.00 0.00 51.96 53.25 2uuu s ALA 371 Cb -0.01 -3.48 1.56 0.00 0.00 0.00 0.00 23.12 21.18 2uuu s ALA 371 CO -0.08 -1.66 1.86 0.28 0.00 0.00 0.00 175.76 176.16 2uuu h VAL 372 N 0.14 0.00 -0.58 0.00 2.07 -2.07 -1.73 116.25 114.09 2uuu h VAL 372 Ca -0.49 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 2uuu h VAL 372 Cb 1.30 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2uuu h VAL 372 CO 0.52 0.00 0.08 -1.54 0.02 0.00 0.00 177.57 176.64 2uuu n SER 373 N -2.74 5.18 -4.05 0.57 3.41 -1.26 -4.93 113.62 109.79 2uuu n SER 373 Ca -0.02 -3.05 -0.24 0.00 -0.26 0.00 0.00 58.87 55.30 2uuu n SER 373 Cb 0.31 -0.68 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 2uuu n SER 373 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2uuu s GLU 374 N -2.86 1.62 -0.42 4.33 2.02 -0.65 -4.94 118.70 117.79 2uuu s GLU 374 Ca 0.53 -0.44 0.09 0.00 0.02 0.00 0.00 54.97 55.17 2uuu s GLU 374 Cb 0.41 -1.37 0.41 0.00 0.10 0.00 0.00 34.13 33.68 2uuu s GLU 374 CO 0.14 0.09 1.00 1.19 0.02 0.00 0.00 175.26 177.69 2uuu n PHE 375 N 3.59 2.56 0.04 1.61 3.01 -1.26 -4.78 117.46 122.23 2uuu n PHE 375 Ca -0.21 -3.27 -0.05 0.00 1.01 0.00 0.00 57.45 54.93 2uuu n PHE 375 Cb 0.52 -0.27 0.14 0.00 -0.01 0.00 0.00 39.48 39.86 2uuu n PHE 375 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2uuu h THR 376 N 2.59 1.32 -0.65 4.37 1.35 -1.97 -3.21 112.91 116.71 2uuu h THR 376 Ca 0.14 -1.66 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 2uuu h THR 376 Cb 0.92 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 2uuu h THR 376 CO 0.71 0.51 0.23 0.77 -0.25 0.00 0.00 175.52 177.49 2uuu h SER 377 N 0.32 0.90 -0.93 5.36 4.64 -1.96 -0.69 113.55 121.19 2uuu h SER 377 Ca 0.02 -0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.26 2uuu h SER 377 Cb 0.94 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 2uuu h SER 377 CO 0.08 0.82 0.60 0.00 -0.87 0.00 0.00 176.83 177.46 2uuu h ALA 378 N 1.30 1.28 0.08 5.18 0.00 -1.93 -1.91 119.26 123.27 2uuu h ALA 378 Ca 0.22 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.84 2uuu h ALA 378 Cb 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2uuu h ALA 378 CO -0.01 0.39 -1.31 0.52 0.00 0.00 0.00 179.25 178.84 2uuu h MET 379 N 1.11 0.18 -0.44 0.00 2.86 -1.44 -2.51 114.93 114.68 2uuu h MET 379 Ca 0.40 -0.30 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2uuu h MET 379 Cb 0.13 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 2uuu h MET 379 CO -0.16 1.07 0.20 0.28 1.06 0.00 0.00 176.91 179.36 2uuu h VAL 380 N 0.05 0.93 -0.78 -2.22 2.07 -1.11 -1.46 116.25 113.73 2uuu h VAL 380 Ca -0.15 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2uuu h VAL 380 Cb 1.94 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2uuu h VAL 380 CO 0.16 0.07 0.51 0.50 0.02 0.00 0.00 177.57 178.84 2uuu h LYS 381 N 0.40 0.99 -0.40 1.57 3.64 -1.32 -0.82 116.57 120.63 2uuu h LYS 381 Ca 0.19 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2uuu h LYS 381 Cb 0.13 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 2uuu h LYS 381 CO -0.16 0.66 -0.05 0.87 -2.27 0.00 0.00 179.45 178.50 2uuu h LYS 382 N 1.02 0.66 -0.27 1.90 1.57 -1.21 -1.38 116.57 118.87 2uuu h LYS 382 Ca 0.30 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2uuu h LYS 382 Cb -0.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2uuu h LYS 382 CO -0.09 0.71 0.13 -0.92 -0.57 0.00 0.00 179.45 178.72 2uuu h TYR 383 N 0.62 0.38 -0.77 -1.35 5.03 -0.51 -1.58 116.97 118.79 2uuu h TYR 383 Ca 0.12 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 2uuu h TYR 383 Cb 0.46 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.58 2uuu h TYR 383 CO 0.02 0.36 0.34 -0.07 -1.32 0.00 0.00 178.16 177.49 2uuu h LEU 384 N 0.30 1.02 -0.73 2.82 3.38 -0.90 -1.67 115.31 119.53 2uuu h LEU 384 Ca 0.09 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2uuu h LEU 384 Cb 0.12 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2uuu h LEU 384 CO -0.01 0.88 -0.22 -0.74 0.09 0.00 0.00 178.44 178.43 2uuu h HIS 385 N 1.10 0.83 -0.63 1.13 2.76 -1.19 -3.23 115.15 115.92 2uuu h HIS 385 Ca 0.26 -0.18 -0.09 0.00 -2.20 0.00 0.00 60.37 58.16 2uuu h HIS 385 Cb 0.15 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.89 2uuu h HIS 385 CO 0.02 0.89 0.05 -0.92 -1.30 0.00 0.00 177.93 176.66 2uuu h TYR 386 N 0.64 1.15 0.00 5.26 5.03 -0.72 -2.76 116.97 125.57 2uuu h TYR 386 Ca 0.09 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2uuu h TYR 386 Cb 0.72 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 38.69 2uuu h TYR 386 CO 0.04 0.99 0.00 0.44 -1.32 0.00 0.00 178.16 178.31 2uuu n ILE 387 N -4.19 0.24 0.16 1.81 -5.35 -0.68 -1.73 119.36 109.62 2uuu n ILE 387 Ca 0.04 0.06 0.01 0.00 -0.27 0.00 0.00 62.75 62.58 2uuu n ILE 387 Cb 0.32 -0.67 0.28 0.00 -1.74 0.00 0.00 39.64 37.83 2uuu n ILE 387 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2uuu h ARG 388 N 0.00 0.01 0.00 6.28 3.08 -1.52 -3.32 114.38 118.91 2uuu h ARG 388 Ca 0.00 -0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 2uuu h ARG 388 Cb 0.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 2uuu h ARG 388 CO 0.00 0.48 -2.12 0.43 -1.07 0.00 0.00 179.97 177.69 2uuu n SER 389 N -3.98 0.19 -4.07 7.04 7.64 -0.71 -4.93 113.62 114.80 2uuu n SER 389 Ca -0.02 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.68 2uuu n SER 389 Cb 0.49 1.01 -0.17 0.00 -1.01 0.00 0.00 64.21 64.54 2uuu n SER 389 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2uuu s PHE 390 N -2.78 1.81 0.12 1.43 0.40 -0.72 -5.09 117.98 113.16 2uuu s PHE 390 Ca -0.08 -0.73 -0.34 0.00 -0.60 0.00 0.00 56.93 55.18 2uuu s PHE 390 Cb 0.08 -1.29 -0.13 0.00 0.51 0.00 0.00 43.02 42.19 2uuu s PHE 390 CO 0.84 -0.35 1.66 -3.47 0.70 0.00 0.00 175.22 174.60 2uuu n ASP 391 N 3.83 3.31 0.29 1.36 4.64 -1.26 -4.18 116.55 124.54 2uuu n ASP 391 Ca -0.21 1.06 0.17 0.00 -1.38 0.00 0.00 54.79 54.42 2uuu n ASP 391 Cb 0.52 -1.44 0.88 0.00 -1.04 0.00 0.00 41.12 40.04 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 6.72 0.00 0.00 -0.67 -5.15 -1.96 -2.41 116.94 113.47 2uuu h PHE 392 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 2uuu h PHE 392 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 2uuu h PHE 392 CO 0.68 0.05 0.00 1.63 -2.00 0.00 0.00 178.31 178.67 2uuu n LYS 393 N -3.40 0.20 -0.00 6.09 5.02 -1.26 -3.18 118.16 121.64 2uuu n LYS 393 Ca -0.02 0.42 0.03 0.00 -2.02 0.00 0.00 58.31 56.73 2uuu n LYS 393 Cb 0.19 -1.88 -0.04 0.00 -0.02 0.00 0.00 35.03 33.27 2uuu n LYS 393 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2uuu n ASN 394 N -2.27 2.03 -4.72 4.39 3.02 -0.92 -4.75 115.26 112.04 2uuu n ASN 394 Ca 0.02 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 2uuu n ASN 394 Cb 0.24 1.16 -0.03 0.00 -0.61 0.00 0.00 39.78 40.54 2uuu n ASN 394 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uuu s VAL 395 N -2.05 3.11 -0.04 2.41 1.01 -1.13 -3.69 120.40 120.02 2uuu s VAL 395 Ca -0.00 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2uuu s VAL 395 Cb 0.04 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2uuu s VAL 395 CO 0.26 0.07 -0.21 0.00 0.00 0.00 0.00 175.10 175.22 2uuu s LEU 397 N -0.59 4.43 -0.00 0.00 2.96 -1.19 -0.69 118.68 123.60 2uuu s LEU 397 Ca 0.09 0.75 0.05 0.00 -0.22 0.00 0.00 54.13 54.80 2uuu s LEU 397 Cb -0.11 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2uuu s LEU 397 CO 0.00 0.35 -0.17 -0.55 -1.32 0.00 0.00 176.35 174.66 2uuu s SER 398 N -0.99 1.97 -0.13 3.68 0.15 0.30 -0.26 113.70 118.42 2uuu s SER 398 Ca 0.20 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2uuu s SER 398 Cb -0.15 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 63.94 2uuu s SER 398 CO 0.09 0.18 -0.14 -0.63 1.20 0.00 0.00 173.24 173.95 2uuu s ILE 399 N -0.47 2.93 -0.06 6.45 1.09 -0.63 -1.03 121.20 129.49 2uuu s ILE 399 Ca 0.06 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 58.91 2uuu s ILE 399 Cb -0.07 -2.22 0.02 0.00 -1.06 0.00 0.00 42.46 39.13 2uuu s ILE 399 CO -0.00 0.52 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.70 2uuu s ILE 400 N 0.41 0.49 0.09 2.92 1.01 0.02 -1.49 121.20 124.65 2uuu s ILE 400 Ca -0.11 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.57 2uuu s ILE 400 Cb -0.16 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2uuu s ILE 400 CO 0.05 0.24 -0.19 -0.83 0.00 0.00 0.00 174.94 174.21 2uuu s GLY 401 N 1.30 1.12 -0.04 6.18 0.00 -0.22 -0.29 107.32 115.38 2uuu s GLY 401 Ca -0.05 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.54 2uuu s GLY 401 CO -0.02 -1.15 -0.07 -1.36 0.00 0.00 0.00 173.10 170.51 2uuu s PHE 402 N -1.13 0.87 0.03 1.90 0.08 0.34 -0.78 117.98 119.29 2uuu s PHE 402 Ca 0.04 -0.25 0.03 0.00 0.12 0.00 0.00 56.93 56.88 2uuu s PHE 402 Cb -0.10 -0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 41.64 2uuu s PHE 402 CO 0.03 -0.16 -0.09 -1.21 -0.10 0.00 0.00 175.22 173.69 2uuu s GLU 403 N 0.62 0.61 0.00 0.44 2.02 -1.26 -1.01 118.70 120.11 2uuu s GLU 403 Ca -0.09 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.26 2uuu s GLU 403 Cb -0.12 -0.50 0.00 0.00 0.10 0.00 0.00 34.13 33.61 2uuu s GLU 403 CO 0.01 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2uuu n GLY 404 N 1.88 0.88 3.74 -1.39 0.00 -0.57 -4.82 105.19 104.91 2uuu n GLY 404 Ca -0.19 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 2uuu n GLY 404 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2uuu s PRO 405 N -2.00 2.88 0.24 1.61 0.02 -1.26 -0.89 135.00 135.59 2uuu s PRO 405 Ca 0.00 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 2uuu s PRO 405 Cb 0.00 -2.07 0.42 0.00 0.02 0.00 0.00 34.50 32.87 2uuu s PRO 405 CO 0.00 -1.37 1.73 -0.22 -0.33 0.00 0.00 177.00 176.81 2uuu h LYS 406 N 1.05 0.43 -0.73 5.54 3.64 -1.92 -0.19 116.57 124.38 2uuu h LYS 406 Ca -0.51 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 2uuu h LYS 406 Cb 1.32 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2uuu h LYS 406 CO 0.55 0.29 0.44 0.87 -2.27 0.00 0.00 179.45 179.33 2uuu h LYS 407 N 0.45 0.99 0.03 1.90 1.57 -1.99 0.38 116.57 119.89 2uuu h LYS 407 Ca 0.39 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2uuu h LYS 407 Cb 0.57 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2uuu h LYS 407 CO -0.38 0.70 -0.01 0.28 -0.57 0.00 0.00 179.45 179.46 2uuu h VAL 408 N 1.01 1.41 -0.93 0.50 2.07 -1.69 -2.86 116.25 115.75 2uuu h VAL 408 Ca 0.26 -1.51 0.07 0.00 0.82 0.00 0.00 66.70 66.34 2uuu h VAL 408 Cb -0.03 2.40 -0.06 0.00 -1.52 0.00 0.00 31.29 32.07 2uuu h VAL 408 CO -0.05 0.38 0.61 0.58 0.02 0.00 0.00 177.57 179.10 2uuu h VAL 409 N -0.72 1.05 -0.21 2.57 2.07 -0.88 -1.36 116.25 118.78 2uuu h VAL 409 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 2uuu h VAL 409 Cb 0.65 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2uuu h VAL 409 CO 0.01 0.19 0.06 0.44 0.02 0.00 0.00 177.57 178.29 2uuu h ASP 410 N 1.05 0.31 -0.37 0.57 3.32 -0.97 -0.62 116.42 119.71 2uuu h ASP 410 Ca 0.41 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 2uuu h ASP 410 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2uuu h ASP 410 CO -0.16 0.44 0.09 0.15 -1.72 0.00 0.00 179.24 178.04 2uuu h PHE 411 N 0.17 0.63 -0.35 4.55 3.57 -1.22 -1.67 116.94 122.60 2uuu h PHE 411 Ca 0.07 -0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 2uuu h PHE 411 Cb 0.24 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 2uuu h PHE 411 CO 0.00 0.62 -0.12 0.45 -2.23 0.00 0.00 178.31 177.03 2uuu h HIS 412 N 0.45 0.80 -0.27 0.41 3.86 -1.12 -2.02 115.15 117.28 2uuu h HIS 412 Ca 0.12 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2uuu h HIS 412 Cb 0.31 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2uuu h HIS 412 CO 0.02 0.88 0.14 -0.09 0.86 0.00 0.00 177.93 179.74 2uuu h ARG 413 N 0.50 0.37 -0.48 2.45 2.43 -1.11 -0.63 114.38 117.91 2uuu h ARG 413 Ca 0.09 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2uuu h ARG 413 Cb 0.64 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 2uuu h ARG 413 CO 0.04 0.34 0.24 1.79 -1.51 0.00 0.00 179.97 180.87 2uuu h THR 414 N 0.31 1.18 0.02 0.20 1.35 -1.24 0.13 112.91 114.86 2uuu h THR 414 Ca 0.09 -0.49 0.02 0.00 -0.55 0.00 0.00 66.41 65.49 2uuu h THR 414 Cb 0.07 0.62 -0.03 0.00 -1.73 0.00 0.00 68.15 67.09 2uuu h THR 414 CO -0.01 0.20 -0.17 -1.28 -0.25 0.00 0.00 175.52 174.00 2uuu h SER 415 N 0.63 -0.49 -0.48 5.36 0.87 -1.28 -1.37 113.55 116.79 2uuu h SER 415 Ca 0.17 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 2uuu h SER 415 Cb 0.09 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 2uuu h SER 415 CO -0.02 -0.23 0.16 0.58 -0.53 0.00 0.00 176.83 176.78 2uuu h VAL 416 N -0.29 1.22 -0.51 2.23 2.07 -1.04 -2.49 116.25 117.45 2uuu h VAL 416 Ca 0.05 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 2uuu h VAL 416 Cb 0.35 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2uuu h VAL 416 CO -0.15 0.27 0.03 -0.26 0.02 0.00 0.00 177.57 177.47 2uuu h PHE 417 N 0.63 0.87 0.01 1.57 -1.00 -0.61 0.83 116.94 119.25 2uuu h PHE 417 Ca 0.16 -0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.85 2uuu h PHE 417 Cb 0.25 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.53 2uuu h PHE 417 CO 0.01 0.79 -0.22 0.22 -1.61 0.00 0.00 178.31 177.50 2uuu h ASP 418 N 0.78 -0.63 -0.73 2.17 1.82 -1.13 -2.19 116.42 116.50 2uuu h ASP 418 Ca 0.15 0.09 0.01 0.00 -0.39 0.00 0.00 57.03 56.90 2uuu h ASP 418 Cb 0.42 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.66 2uuu h ASP 418 CO 0.02 -0.28 0.48 0.40 -1.61 0.00 0.00 179.24 178.24 2uuu h ILE 419 N -0.35 1.16 -0.70 2.25 2.04 -0.95 -2.22 117.51 118.75 2uuu h ILE 419 Ca 0.06 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2uuu h ILE 419 Cb 0.42 0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 2uuu h ILE 419 CO -0.19 0.18 0.32 -0.07 0.00 0.00 0.00 178.15 178.39 2uuu h LEU 420 N 0.96 0.39 -1.59 1.44 3.38 -0.71 -2.28 115.31 116.90 2uuu h LEU 420 Ca 0.27 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 2uuu h LEU 420 Cb -0.08 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2uuu h LEU 420 CO -0.07 0.21 -0.18 0.77 0.09 0.00 0.00 178.44 179.26 2uuu h SER 421 N 0.54 0.00 0.89 -0.43 4.64 -0.79 -0.41 113.55 117.99 2uuu h SER 421 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2uuu h SER 421 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2uuu h SER 421 CO -0.30 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.13 2uuu n LYS 422 N -3.58 0.06 -0.40 4.77 5.02 -0.87 -3.60 118.16 119.56 2uuu n LYS 422 Ca -0.01 0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.37 2uuu n LYS 422 Cb 0.32 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.01 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 -1.47 2.04 -1.83 4.39 3.02 -0.25 -4.98 115.26 116.18 2uuu n ASN 423 Ca 0.08 -3.57 -0.18 0.00 -0.03 0.00 0.00 54.58 50.88 2uuu n ASN 423 Cb 0.31 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.23 -0.45 -1.77 5.41 0.00 -1.11 -4.75 120.51 116.62 2uuu n ALA 424 Ca 0.19 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 2uuu n ALA 424 Cb 0.69 -1.90 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 -2.82 3.13 -0.21 0.00 0.00 -0.69 -4.38 121.76 116.79 2uuu s ALA 425 Ca 0.00 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.05 2uuu s ALA 425 Cb 0.00 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2uuu s ALA 425 CO 0.00 -0.71 -0.14 0.12 0.00 0.00 0.00 175.76 175.02 2uuu s PHE 426 N -1.38 2.83 0.16 0.00 5.36 0.39 -4.72 117.98 120.61 2uuu s PHE 426 Ca 0.59 -1.85 -0.30 0.00 -0.96 0.00 0.00 56.93 54.41 2uuu s PHE 426 Cb -0.33 -1.84 -0.08 0.00 -0.34 0.00 0.00 43.02 40.43 2uuu s PHE 426 CO 0.42 -0.81 1.28 0.20 -1.46 0.00 0.00 175.22 174.85 2uuu s GLY 427 N 1.26 2.42 -0.00 13.12 0.00 -1.26 -0.72 107.32 122.14 2uuu s GLY 427 Ca -0.01 1.03 0.20 0.00 0.00 0.00 0.00 44.72 45.94 2uuu s GLY 427 CO -0.09 2.06 0.79 1.04 0.00 0.00 0.00 173.10 176.90 2uuu n LEU 428 N 3.01 0.80 0.00 0.66 4.77 0.24 -4.94 117.00 121.54 2uuu n LEU 428 Ca 0.07 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2uuu n LEU 428 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2uuu n LEU 428 CO 0.57 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2uuu n GLY 429 N 1.45 0.30 3.96 -0.72 0.00 -1.23 -4.86 105.19 104.10 2uuu n GLY 429 Ca 0.03 -1.96 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 2uuu n GLY 429 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uuu s SER 430 N -0.64 4.44 0.07 1.61 1.04 -1.26 -2.33 113.70 116.63 2uuu s SER 430 Ca 0.00 0.03 -0.06 0.00 0.48 0.00 0.00 55.95 56.40 2uuu s SER 430 Cb 0.00 -0.51 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 2uuu s SER 430 CO 0.00 -1.81 0.11 0.00 0.98 0.00 0.00 173.24 172.53 2uuu s ALA 431 N -3.23 0.00 0.44 5.32 0.00 -1.23 -4.98 121.76 118.09 2uuu s ALA 431 Ca 0.64 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 2uuu s ALA 431 Cb -0.07 0.38 -0.09 0.00 0.00 0.00 0.00 23.12 23.34 2uuu s ALA 431 CO 0.45 -0.44 1.30 -2.30 0.00 0.00 0.00 175.76 174.77 2uuu n PRO 432 N 0.14 1.93 0.00 0.00 -0.02 -1.26 -4.61 135.00 131.18 2uuu n PRO 432 Ca -0.15 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2uuu n PRO 432 Cb 0.61 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 2uuu n PRO 432 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uuu n GLY 433 N 0.78 3.04 1.20 -1.23 0.00 -1.26 -2.43 105.19 105.29 2uuu n GLY 433 Ca 0.07 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2uuu n GLY 433 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2uuu n LYS 434 N 14.00 3.50 -0.29 1.61 5.02 -1.26 -4.23 118.16 136.52 2uuu n LYS 434 Ca 0.00 -2.83 0.19 0.00 -2.02 0.00 0.00 58.31 53.65 2uuu n LYS 434 Cb 0.00 -1.88 0.48 0.00 -0.02 0.00 0.00 35.03 33.61 2uuu n LYS 434 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2uuu h THR 435 N 2.69 0.64 -0.60 -0.18 1.35 -1.77 0.22 112.91 115.27 2uuu h THR 435 Ca 0.00 -0.16 0.09 0.00 -0.55 0.00 0.00 66.41 65.79 2uuu h THR 435 Cb 1.48 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 67.96 2uuu h THR 435 CO 0.26 0.09 0.23 -0.50 -0.25 0.00 0.00 175.52 175.34 2uuu h TRP 436 N 0.47 0.39 -0.00 4.73 4.06 -1.84 -2.47 115.95 121.29 2uuu h TRP 436 Ca 0.52 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.50 2uuu h TRP 436 Cb 1.22 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2uuu h TRP 436 CO -0.00 0.10 -0.20 0.00 -3.56 0.00 0.00 178.44 174.78 2uuu n ALA 437 N -2.46 2.91 1.12 1.49 0.00 0.67 -3.97 120.51 120.26 2uuu n ALA 437 Ca 0.08 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.38 2uuu n ALA 437 Cb 0.27 -1.28 0.48 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.10 0.22 0.16 0.00 1.02 -0.47 -4.13 120.64 116.34 2uuu n GLU 438 Ca 0.11 -0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.21 2uuu n GLU 438 Cb 0.31 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.39 2uuu n GLU 438 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2uuu h LYS 439 N 0.20 0.00 -0.13 3.49 6.56 -1.69 -3.01 116.57 121.98 2uuu h LYS 439 Ca 0.00 0.00 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 2uuu h LYS 439 Cb 0.46 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.12 2uuu h LYS 439 CO 0.00 0.44 0.13 0.07 -2.06 0.00 0.00 179.45 178.03 2uuu h ARG 440 N 0.00 0.00 0.00 3.15 0.11 -1.86 -2.37 114.38 113.41 2uuu h ARG 440 Ca -0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2uuu h ARG 440 Cb 1.18 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 2uuu h ARG 440 CO 0.06 0.00 -0.03 1.88 0.10 0.00 0.00 179.97 181.98 2uuu h TYR 441 N 0.00 0.00 0.00 4.08 0.99 -1.79 -2.88 116.97 117.37 2uuu h TYR 441 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2uuu h TYR 441 Cb 0.32 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.05 2uuu h TYR 441 CO 0.00 0.03 -0.50 -0.44 -0.00 0.00 0.00 178.16 177.25 2uuu h ASP 442 N 0.00 0.00 -0.43 3.88 3.45 -1.63 -3.39 116.42 118.29 2uuu h ASP 442 Ca -0.00 -0.01 0.09 0.00 0.43 0.00 0.00 57.03 57.54 2uuu h ASP 442 Cb 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.83 2uuu h ASP 442 CO 0.00 0.00 -0.31 -0.07 -1.57 0.00 0.00 179.24 177.30 2uuu h LEU 443 N 0.00 -1.04 -2.97 1.55 3.38 -1.63 -2.41 115.31 112.19 2uuu h LEU 443 Ca 0.00 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2uuu h LEU 443 Cb 0.98 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 42.23 2uuu h LEU 443 CO 0.00 -0.31 -0.00 1.55 0.09 0.00 0.00 178.44 179.77 2uuu h PRO 444 N -0.22 0.00 -0.18 1.13 0.13 -1.81 -0.85 132.00 130.19 2uuu h PRO 444 Ca 0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.28 2uuu h PRO 444 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2uuu h PRO 444 CO -0.56 0.00 -0.06 1.88 -0.23 0.00 0.00 178.00 179.03 2uuu h TYR 445 N 0.00 0.28 0.00 1.56 -1.99 -1.72 -2.85 116.97 112.25 2uuu h TYR 445 Ca -0.00 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 2uuu h TYR 445 Cb 0.00 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 2uuu h TYR 445 CO 0.00 0.35 -0.36 0.97 -0.00 0.00 0.00 178.16 179.11 2uuu h ILE 446 N 0.27 0.81 -0.50 -2.88 2.10 -1.23 -2.68 117.51 113.40 2uuu h ILE 446 Ca 0.06 -1.54 -0.04 0.00 1.08 0.00 0.00 64.86 64.42 2uuu h ILE 446 Cb 0.29 1.96 -0.02 0.00 -1.09 0.00 0.00 36.82 37.96 2uuu h ILE 446 CO 0.01 0.36 0.16 -0.09 -1.08 0.00 0.00 178.15 177.51 2uuu h ARG 447 N 0.00 0.77 -0.94 2.19 2.43 -1.55 0.59 114.38 117.87 2uuu h ARG 447 Ca -0.00 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2uuu h ARG 447 Cb 0.93 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.32 2uuu h ARG 447 CO 0.05 0.71 0.62 -0.44 -1.51 0.00 0.00 179.97 179.40 2uuu h ASP 448 N 0.67 1.06 -0.41 -3.80 3.32 -1.45 -1.60 116.42 114.21 2uuu h ASP 448 Ca 0.16 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2uuu h ASP 448 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2uuu h ASP 448 CO -0.01 0.75 0.20 0.15 -1.72 0.00 0.00 179.24 178.61 2uuu h PHE 449 N 1.24 0.60 -0.48 4.55 3.04 -1.06 -1.90 116.94 122.93 2uuu h PHE 449 Ca 0.36 -0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.31 2uuu h PHE 449 Cb -0.09 -0.18 -0.04 0.00 2.56 0.00 0.00 35.95 38.19 2uuu h PHE 449 CO -0.01 0.49 0.25 -0.07 -2.02 0.00 0.00 178.31 176.96 2uuu h LEU 450 N 0.53 0.38 -1.49 0.59 3.38 -0.60 -2.72 115.31 115.38 2uuu h LEU 450 Ca 0.14 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2uuu h LEU 450 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2uuu h LEU 450 CO -0.02 0.27 -0.26 -0.07 0.09 0.00 0.00 178.44 178.45 2uuu h LEU 451 N 0.50 0.00 0.00 1.67 3.38 -1.04 -0.07 115.31 119.75 2uuu h LEU 451 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2uuu h LEU 451 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2uuu h LEU 451 CO -0.13 0.26 0.00 0.47 0.09 0.00 0.00 178.44 179.13 2uuu n ASP 452 N -4.17 0.00 -2.53 -0.43 8.00 -0.74 -4.10 116.55 112.59 2uuu n ASP 452 Ca -0.02 0.35 -0.14 0.00 0.71 0.00 0.00 54.79 55.69 2uuu n ASP 452 Cb 0.31 -0.45 0.03 0.00 -0.02 0.00 0.00 41.12 40.99 2uuu n ASP 452 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2uuu n HIS 453 N -1.45 2.04 -2.12 1.24 8.25 -0.28 0.21 115.22 123.11 2uuu n HIS 453 Ca 0.08 -2.55 -0.13 0.00 -0.26 0.00 0.00 57.72 54.86 2uuu n HIS 453 Cb 0.28 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.45 -4.08 -4.25 0.41 5.15 -1.16 -4.43 115.26 106.44 2uuu n ASN 454 Ca 0.23 0.03 -0.22 0.00 -0.60 0.00 0.00 54.58 54.02 2uuu n ASN 454 Cb 0.81 -3.20 -0.09 0.00 -0.53 0.00 0.00 39.78 36.77 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 -4.42 1.74 0.11 1.20 -1.94 -0.20 -0.52 119.30 115.28 2uuu s MET 455 Ca 0.00 -2.01 -0.14 0.00 -1.71 0.00 0.00 55.69 51.82 2uuu s MET 455 Cb 0.00 -0.62 0.03 0.00 2.01 0.00 0.00 34.83 36.25 2uuu s MET 455 CO 0.00 -0.35 0.35 1.67 -0.01 0.00 0.00 175.02 176.68 2uuu s TRP 456 N -3.34 -0.13 -0.07 -0.03 1.48 -0.31 -3.45 118.94 113.09 2uuu s TRP 456 Ca 0.31 -0.18 -0.07 0.00 -1.06 0.00 0.00 56.10 55.09 2uuu s TRP 456 Cb 0.06 0.18 0.02 0.00 -1.16 0.00 0.00 33.47 32.56 2uuu s TRP 456 CO 0.15 -0.65 0.20 0.54 -4.06 0.00 0.00 176.95 173.13 2uuu s VAL 457 N -3.65 0.00 0.37 -0.66 0.11 -1.26 -1.96 120.40 113.36 2uuu s VAL 457 Ca 0.02 -0.01 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 2uuu s VAL 457 Cb 0.02 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 2uuu s VAL 457 CO -0.11 -0.01 0.22 -0.62 -3.33 0.00 0.00 175.10 171.26 2uuu s ASP 458 N 0.07 2.20 0.07 3.54 3.68 -0.26 -4.87 116.67 121.11 2uuu s ASP 458 Ca -0.00 -1.74 0.02 0.00 2.13 0.00 0.00 52.55 52.95 2uuu s ASP 458 Cb -0.02 0.57 -0.03 0.00 -1.45 0.00 0.00 42.92 41.99 2uuu s ASP 458 CO 0.00 -1.03 -0.08 0.68 0.13 0.00 0.00 175.17 174.88 2uuu s VAL 459 N -3.33 0.66 -0.08 1.11 -7.23 -1.26 -1.27 120.40 109.00 2uuu s VAL 459 Ca 0.33 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2uuu s VAL 459 Cb 0.02 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.87 2uuu s VAL 459 CO 0.22 -0.59 0.17 0.00 -0.31 0.00 0.00 175.10 174.59 2uuu s ALA 460 N -2.39 -0.33 -0.03 1.32 0.00 -0.73 -4.99 121.76 114.62 2uuu s ALA 460 Ca 0.01 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.78 2uuu s ALA 460 Cb -0.03 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2uuu s ALA 460 CO -0.02 -0.24 -0.25 -2.00 0.00 0.00 0.00 175.76 173.26 2uuu s GLU 461 N 1.40 2.23 0.01 0.00 2.12 -1.26 0.15 118.70 123.35 2uuu s GLU 461 Ca -0.07 -0.90 -0.17 0.00 0.36 0.00 0.00 54.97 54.19 2uuu s GLU 461 Cb -0.11 -2.10 0.03 0.00 0.26 0.00 0.00 34.13 32.21 2uuu s GLU 461 CO -0.07 0.53 0.36 -0.08 -0.54 0.00 0.00 175.26 175.47 2uuu s THR 462 N -0.54 0.06 -0.20 -1.70 -1.32 -0.37 -4.81 115.64 106.77 2uuu s THR 462 Ca 0.08 -0.48 -0.08 0.00 -1.21 0.00 0.00 61.69 59.99 2uuu s THR 462 Cb -0.11 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.03 2uuu s THR 462 CO -0.00 -0.27 0.08 0.42 -2.21 0.00 0.00 174.62 172.65 2uuu s THR 463 N -1.91 4.92 0.02 5.08 -4.23 -1.26 -0.57 115.64 117.68 2uuu s THR 463 Ca -0.09 0.02 0.03 0.00 -1.18 0.00 0.00 61.69 60.46 2uuu s THR 463 Cb -0.03 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.57 2uuu s THR 463 CO 0.01 0.44 -0.09 0.54 -0.54 0.00 0.00 174.62 174.98 2uuu s VAL 464 N 0.52 0.68 0.74 2.29 0.11 -0.72 -1.42 120.40 122.60 2uuu s VAL 464 Ca 0.04 -0.65 -0.14 0.00 -2.93 0.00 0.00 61.98 58.30 2uuu s VAL 464 Cb -0.12 -0.63 0.05 0.00 -1.53 0.00 0.00 36.38 34.15 2uuu s VAL 464 CO 0.01 -0.01 1.17 -0.94 -3.33 0.00 0.00 175.10 171.99 2uuu s SER 465 N -0.74 4.24 0.35 3.54 1.04 -1.26 -1.16 113.70 119.72 2uuu s SER 465 Ca -0.01 2.21 0.03 0.00 0.48 0.00 0.00 55.95 58.67 2uuu s SER 465 Cb -0.06 -2.57 0.67 0.00 0.10 0.00 0.00 66.02 64.16 2uuu s SER 465 CO 0.00 -2.23 1.99 1.88 0.98 0.00 0.00 173.24 175.87 2uuu h TYR 466 N -0.52 0.79 -0.82 5.02 -1.99 -1.39 0.47 116.97 118.53 2uuu h TYR 466 Ca -0.46 0.02 0.11 0.00 2.00 0.00 0.00 58.73 60.40 2uuu h TYR 466 Cb 1.28 -0.26 -0.08 0.00 2.00 0.00 0.00 36.73 39.66 2uuu h TYR 466 CO 0.50 0.47 0.44 0.00 -0.00 0.00 0.00 178.16 179.57 2uuu h ALA 467 N 1.60 1.19 -0.01 3.88 0.00 -1.92 -3.10 119.26 120.90 2uuu h ALA 467 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2uuu h ALA 467 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2uuu h ALA 467 CO -0.07 0.01 -0.63 0.09 0.00 0.00 0.00 179.25 178.65 2uuu n ASN 468 N -4.81 1.54 0.17 0.00 3.02 -0.89 -4.69 115.26 109.61 2uuu n ASN 468 Ca 0.15 -1.27 -0.14 0.00 -0.03 0.00 0.00 54.58 53.28 2uuu n ASN 468 Cb 0.34 0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 40.12 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 1.40 -0.82 -0.27 3.41 5.85 -0.84 -0.82 115.31 123.21 2uuu h LEU 469 Ca 0.00 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 2uuu h LEU 469 Cb 0.61 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2uuu h LEU 469 CO 0.00 -0.41 -0.89 1.56 -0.34 0.00 0.00 178.44 178.36 2uuu h GLN 470 N -0.59 0.15 -0.16 1.25 4.20 -1.84 -1.30 115.11 116.82 2uuu h GLN 470 Ca -0.00 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 2uuu h GLN 470 Cb 0.57 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2uuu h GLN 470 CO -0.09 0.94 -0.17 1.79 -0.67 0.00 0.00 178.83 180.63 2uuu h THR 471 N 0.08 1.35 -0.24 -0.54 1.35 -1.86 -2.10 112.91 110.94 2uuu h THR 471 Ca -0.04 -1.34 0.02 0.00 -0.55 0.00 0.00 66.41 64.50 2uuu h THR 471 Cb 1.53 1.87 -0.02 0.00 -1.73 0.00 0.00 68.15 69.80 2uuu h THR 471 CO 0.13 0.40 0.10 0.25 -0.25 0.00 0.00 175.52 176.15 2uuu h LEU 472 N 0.02 0.14 0.09 3.87 5.85 -1.08 -0.17 115.31 124.04 2uuu h LEU 472 Ca 0.02 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2uuu h LEU 472 Cb 0.71 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.69 2uuu h LEU 472 CO 0.04 0.11 -0.44 -0.25 -0.34 0.00 0.00 178.44 177.57 2uuu h TRP 473 N 0.23 -1.24 -0.35 1.25 7.01 -1.27 0.96 115.95 122.53 2uuu h TRP 473 Ca 0.10 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2uuu h TRP 473 Cb 0.05 0.53 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 2uuu h TRP 473 CO -0.11 -0.53 0.20 -0.22 -2.79 0.00 0.00 178.44 174.99 2uuu h LYS 474 N -0.66 0.49 -0.28 2.65 3.64 -1.31 -2.38 116.57 118.72 2uuu h LYS 474 Ca 0.02 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 2uuu h LYS 474 Cb 0.69 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2uuu h LYS 474 CO -0.27 0.39 0.01 0.22 -2.27 0.00 0.00 179.45 177.53 2uuu h ASP 475 N 0.45 0.48 -0.08 4.20 1.82 -0.89 -1.58 116.42 120.82 2uuu h ASP 475 Ca 0.13 -0.30 -0.00 0.00 -0.39 0.00 0.00 57.03 56.47 2uuu h ASP 475 Cb 0.04 -0.13 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 2uuu h ASP 475 CO -0.02 0.66 0.05 0.00 -1.61 0.00 0.00 179.24 178.32 2uuu h ALA 476 N 0.84 0.10 -0.58 -0.78 0.00 -0.80 -0.50 119.26 117.53 2uuu h ALA 476 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2uuu h ALA 476 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2uuu h ALA 476 CO 0.01 -0.38 0.36 0.87 0.00 0.00 0.00 179.25 180.12 2uuu h LYS 477 N 0.07 0.70 -0.12 0.00 1.57 -1.34 -1.34 116.57 116.11 2uuu h LYS 477 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2uuu h LYS 477 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2uuu h LYS 477 CO -0.01 0.46 0.05 1.96 -0.57 0.00 0.00 179.45 181.35 2uuu h GLN 478 N 0.72 0.18 -0.49 3.15 4.20 -1.19 -2.59 115.11 119.09 2uuu h GLN 478 Ca 0.23 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.93 2uuu h GLN 478 Cb -0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2uuu h GLN 478 CO -0.08 0.26 0.29 1.15 -0.67 0.00 0.00 178.83 179.78 2uuu h THR 479 N 0.05 1.06 0.01 -0.54 2.02 -0.95 -0.79 112.91 113.76 2uuu h THR 479 Ca 0.04 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 2uuu h THR 479 Cb 0.15 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2uuu h THR 479 CO -0.00 0.11 -0.00 0.15 0.37 0.00 0.00 175.52 176.14 2uuu h PHE 480 N 0.59 -0.01 0.06 3.16 3.57 -1.23 -1.84 116.94 121.25 2uuu h PHE 480 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2uuu h PHE 480 Cb 0.01 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2uuu h PHE 480 CO -0.06 0.21 -0.07 0.28 -2.23 0.00 0.00 178.31 176.44 2uuu h VAL 481 N -0.23 0.84 -0.58 1.41 2.07 -1.44 -3.12 116.25 115.21 2uuu h VAL 481 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2uuu h VAL 481 Cb 0.22 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2uuu h VAL 481 CO 0.00 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.42 2uuu h LYS 482 N -0.15 0.61 -0.86 1.57 3.64 -1.12 0.81 116.57 121.06 2uuu h LYS 482 Ca 0.01 -0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.49 2uuu h LYS 482 Cb 0.15 -0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.75 2uuu h LYS 482 CO -0.03 0.40 0.47 1.25 -2.27 0.00 0.00 179.45 179.28 2uuu h HIS 483 N 0.63 0.83 0.09 1.91 2.76 -1.27 0.15 115.15 120.25 2uuu h HIS 483 Ca 0.25 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 58.15 2uuu h HIS 483 Cb 0.11 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2uuu h HIS 483 CO -0.08 0.24 -1.58 0.74 -1.30 0.00 0.00 177.93 175.95 2uuu h PHE 484 N 0.70 0.36 -0.48 5.26 -1.00 -1.46 -3.31 116.94 117.00 2uuu h PHE 484 Ca 0.46 -0.26 0.03 0.00 2.81 0.00 0.00 57.97 61.01 2uuu h PHE 484 Cb 0.59 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 40.11 2uuu h PHE 484 CO -0.07 1.35 0.32 -0.22 -1.61 0.00 0.00 178.31 178.07 2uuu h LYS 485 N 0.05 0.52 0.00 1.51 3.64 -0.26 -0.17 116.57 121.87 2uuu h LYS 485 Ca -0.26 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2uuu h LYS 485 Cb 2.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 2uuu h LYS 485 CO 0.14 0.34 0.00 -0.44 -2.27 0.00 0.00 179.45 177.22 2uuu h ASP 486 N 0.54 0.00 -0.07 4.20 3.32 -0.83 -2.45 116.42 121.13 2uuu h ASP 486 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2uuu h ASP 486 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2uuu h ASP 486 CO -0.05 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.47 2uuu n GLN 487 N -3.04 1.81 -2.61 3.56 6.02 -0.46 -4.95 117.38 117.71 2uuu n GLN 487 Ca 0.01 -1.20 -0.15 0.00 -0.01 0.00 0.00 57.00 55.66 2uuu n GLN 487 Cb 0.33 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 30.15 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 1.21 -0.17 3.23 1.08 0.00 -0.92 -5.04 105.19 104.57 2uuu n GLY 488 Ca 0.18 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.89 2.18 0.45 -0.61 1.01 -0.20 -5.01 121.20 116.12 2uuu s ILE 489 Ca 0.14 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 2uuu s ILE 489 Cb -0.06 -1.85 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 2uuu s ILE 489 CO 0.17 0.55 1.29 -2.16 0.00 0.00 0.00 174.94 174.80 2uuu s PRO 490 N 0.46 3.75 -0.03 2.79 0.04 -1.26 -3.34 135.00 137.41 2uuu s PRO 490 Ca -0.15 2.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.85 2uuu s PRO 490 Cb -0.17 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.81 2uuu s PRO 490 CO 0.06 -0.65 0.30 0.00 0.04 0.00 0.00 177.00 176.75 2uuu s ALA 491 N -1.33 -0.76 0.01 8.56 0.00 -1.26 -4.02 121.76 122.96 2uuu s ALA 491 Ca 0.61 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2uuu s ALA 491 Cb -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2uuu s ALA 491 CO 0.46 -0.25 -0.02 -0.46 0.00 0.00 0.00 175.76 175.49 2uuu s TRP 492 N -1.15 0.18 -0.16 0.00 -0.00 -0.12 -4.89 118.94 112.79 2uuu s TRP 492 Ca -0.12 -0.33 -0.10 0.00 -0.00 0.00 0.00 56.10 55.55 2uuu s TRP 492 Cb -0.05 -0.13 0.05 0.00 -0.00 0.00 0.00 33.47 33.35 2uuu s TRP 492 CO 0.04 -0.11 0.39 -1.50 -0.00 0.00 0.00 176.95 175.77 2uuu s ILE 493 N -0.90 -0.02 0.33 5.86 2.07 -1.26 -0.22 121.20 127.06 2uuu s ILE 493 Ca -0.10 0.07 0.03 0.00 -1.41 0.00 0.00 60.65 59.25 2uuu s ILE 493 Cb -0.06 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 2uuu s ILE 493 CO -0.01 0.03 0.14 0.00 -1.91 0.00 0.00 174.94 173.20 2uuu s ALA 495 N -3.48 -1.10 0.10 0.00 0.00 -1.26 -0.40 121.76 115.62 2uuu s ALA 495 Ca 0.33 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.54 2uuu s ALA 495 Cb 0.05 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2uuu s ALA 495 CO 0.17 -0.53 0.11 -3.38 0.00 0.00 0.00 175.76 172.12 2uuu s HIS 496 N -2.89 0.46 -0.17 0.00 -3.43 -0.40 -1.50 115.29 107.36 2uuu s HIS 496 Ca -0.03 -0.90 -0.03 0.00 -0.80 0.00 0.00 55.06 53.30 2uuu s HIS 496 Cb -0.00 -0.25 -0.02 0.00 -1.43 0.00 0.00 32.58 30.88 2uuu s HIS 496 CO -0.05 -0.52 -0.05 0.42 -2.00 0.00 0.00 174.74 172.54 2uuu s ILE 497 N -3.94 3.73 -0.08 -5.38 1.01 0.35 -1.01 121.20 115.87 2uuu s ILE 497 Ca 0.12 -0.41 0.11 0.00 0.00 0.00 0.00 60.65 60.47 2uuu s ILE 497 Cb 0.06 -2.64 -0.16 0.00 0.01 0.00 0.00 42.46 39.73 2uuu s ILE 497 CO -0.06 0.48 0.12 -1.54 0.00 0.00 0.00 174.94 173.94 2uuu n SER 498 N 3.77 2.10 -3.76 3.58 3.41 -0.95 -1.33 113.62 120.44 2uuu n SER 498 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 2uuu n SER 498 Cb 0.52 1.05 -0.08 0.00 -0.26 0.00 0.00 64.21 65.44 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 -2.48 -0.15 0.18 7.33 3.76 -1.26 -4.62 115.29 118.05 2uuu s HIS 499 Ca -0.05 0.16 0.09 0.00 -0.15 0.00 0.00 55.06 55.10 2uuu s HIS 499 Cb 0.05 0.09 -0.04 0.00 1.11 0.00 0.00 32.58 33.79 2uuu s HIS 499 CO 0.50 -0.42 -0.18 0.95 -0.85 0.00 0.00 174.74 174.74 2uuu s THR 500 N -1.72 1.85 0.37 1.30 -4.23 -1.26 -0.81 115.64 111.14 2uuu s THR 500 Ca -0.11 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 2uuu s THR 500 Cb -0.04 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 2uuu s THR 500 CO 0.02 -0.36 0.12 -0.31 -0.54 0.00 0.00 174.62 173.54 2uuu s TYR 501 N -2.22 1.79 0.24 3.99 1.51 0.90 -4.97 117.35 118.58 2uuu s TYR 501 Ca 0.18 -1.22 -0.06 0.00 -1.01 0.00 0.00 57.07 54.95 2uuu s TYR 501 Cb -0.05 -1.13 0.42 0.00 -0.11 0.00 0.00 41.96 41.09 2uuu s TYR 501 CO 0.07 -0.27 1.68 1.15 -1.11 0.00 0.00 175.55 177.07 2uuu h THR 502 N 1.95 0.50 0.00 -0.71 2.02 -2.01 -3.12 112.91 111.54 2uuu h THR 502 Ca -0.36 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2uuu h THR 502 Cb 1.26 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 2uuu h THR 502 CO 0.59 0.04 -0.30 -3.20 0.37 0.00 0.00 175.52 173.02 2uuu n ASN 503 N -5.19 1.55 -1.80 4.18 5.15 -1.26 -5.05 115.26 112.85 2uuu n ASN 503 Ca 0.13 -2.88 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 2uuu n ASN 503 Cb 0.43 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.86 0.73 3.18 8.20 0.00 -1.18 -0.97 105.19 114.28 2uuu n GLY 504 Ca 0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.23 0.10 -0.34 1.61 -7.23 -0.31 -0.07 120.40 111.93 2uuu s VAL 505 Ca 0.08 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 2uuu s VAL 505 Cb -0.00 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 2uuu s VAL 505 CO 0.01 -0.44 0.54 0.00 -0.31 0.00 0.00 175.10 174.89 2uuu s LEU 507 N 2.44 3.28 -0.17 0.00 2.96 0.26 -2.23 118.68 125.22 2uuu s LEU 507 Ca 0.20 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2uuu s LEU 507 Cb -0.15 -1.79 0.03 0.00 0.50 0.00 0.00 46.19 44.78 2uuu s LEU 507 CO 0.13 0.17 -0.15 -0.47 -1.32 0.00 0.00 176.35 174.72 2uuu s TYR 508 N 0.33 2.39 -0.13 5.38 6.14 -0.18 -1.24 117.35 130.03 2uuu s TYR 508 Ca -0.04 -1.42 -0.08 0.00 0.64 0.00 0.00 57.07 56.17 2uuu s TYR 508 Cb -0.14 -1.69 -0.04 0.00 0.42 0.00 0.00 41.96 40.51 2uuu s TYR 508 CO 0.03 -0.72 0.15 -0.06 0.64 0.00 0.00 175.55 175.59 2uuu s PHE 509 N 1.41 3.57 -0.14 4.97 0.40 0.12 -1.28 117.98 127.03 2uuu s PHE 509 Ca 0.03 0.51 0.02 0.00 -0.60 0.00 0.00 56.93 56.89 2uuu s PHE 509 Cb -0.14 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.40 2uuu s PHE 509 CO -0.11 0.64 -0.21 0.42 0.70 0.00 0.00 175.22 176.67 2uuu s ILE 510 N -0.75 2.02 0.03 0.64 1.01 0.46 -1.77 121.20 122.85 2uuu s ILE 510 Ca 0.14 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.86 2uuu s ILE 510 Cb -0.12 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 2uuu s ILE 510 CO 0.03 0.54 -0.08 0.72 0.00 0.00 0.00 174.94 176.15 2uuu s PHE 511 N 0.88 0.71 -0.01 3.97 -0.71 -0.40 -0.61 117.98 121.81 2uuu s PHE 511 Ca -0.06 -0.33 -0.13 0.00 -1.04 0.00 0.00 56.93 55.38 2uuu s PHE 511 Cb -0.15 -0.43 0.02 0.00 -1.21 0.00 0.00 43.02 41.24 2uuu s PHE 511 CO -0.03 -0.03 0.26 0.00 -1.34 0.00 0.00 175.22 174.07 2uuu s ALA 512 N -0.84 -0.64 0.08 1.99 0.00 0.69 -1.10 121.76 121.94 2uuu s ALA 512 Ca -0.04 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 2uuu s ALA 512 Cb -0.07 0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2uuu s ALA 512 CO 0.00 -0.25 0.14 0.45 0.00 0.00 0.00 175.76 176.10 2uuu n SER 513 N 1.31 -0.39 -4.82 0.00 2.88 -0.83 -0.95 113.62 110.82 2uuu n SER 513 Ca -0.22 -1.36 -0.34 0.00 -1.33 0.00 0.00 58.87 55.62 2uuu n SER 513 Cb 0.56 0.68 -0.06 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.08 4.24 0.55 -1.46 -0.14 -1.26 -1.16 119.74 118.42 2uuu s LYS 514 Ca 0.04 0.95 -0.19 0.00 -1.36 0.00 0.00 55.97 55.42 2uuu s LYS 514 Cb -0.01 -2.58 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 2uuu s LYS 514 CO 0.03 0.21 1.10 -0.65 -0.76 0.00 0.00 175.35 175.28 2uuu s GLN 515 N -2.55 3.38 0.26 1.68 -0.21 0.32 -4.79 119.66 117.75 2uuu s GLN 515 Ca 0.52 1.49 -0.25 0.00 0.02 0.00 0.00 55.36 57.13 2uuu s GLN 515 Cb -0.13 -2.02 -0.09 0.00 1.00 0.00 0.00 33.01 31.76 2uuu s GLN 515 CO 0.19 -0.80 0.87 0.54 -2.12 0.00 0.00 175.29 173.96 2uuu s ASN 516 N -2.02 7.34 0.30 5.90 4.22 -1.26 -4.93 114.94 124.50 2uuu s ASN 516 Ca 0.70 1.73 0.17 0.00 -2.14 0.00 0.00 52.86 53.33 2uuu s ASN 516 Cb -0.21 -2.54 0.95 0.00 1.28 0.00 0.00 41.25 40.73 2uuu s ASN 516 CO 0.28 0.04 1.50 1.21 -2.04 0.00 0.00 177.10 178.09 2uuu n GLU 517 N 0.94 0.11 -0.11 3.55 2.13 -1.26 -0.67 120.64 125.33 2uuu n GLU 517 Ca -0.01 0.60 0.12 0.00 0.66 0.00 0.00 57.16 58.53 2uuu n GLU 517 Cb 0.49 -1.97 0.17 0.00 0.27 0.00 0.00 31.44 30.40 2uuu n GLU 517 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 2uuu n ASN 518 N -2.13 3.28 -3.77 4.31 6.94 -1.26 -5.03 115.26 117.60 2uuu n ASN 518 Ca -0.01 -1.99 -0.26 0.00 -0.02 0.00 0.00 54.58 52.30 2uuu n ASN 518 Cb 0.12 -0.15 0.02 0.00 -2.36 0.00 0.00 39.78 37.41 2uuu n ASN 518 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2uuu n LYS 519 N 1.43 -3.12 -4.87 -3.83 0.00 0.16 -5.01 118.16 102.91 2uuu n LYS 519 Ca 0.17 0.50 -0.32 0.00 -0.00 0.00 0.00 58.31 58.66 2uuu n LYS 519 Cb 0.60 -4.65 -0.13 0.00 -0.00 0.00 0.00 35.03 30.85 2uuu n LYS 519 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2uuu s ASP 520 N -4.06 3.89 0.00 -5.58 -4.77 -1.26 -5.02 116.67 99.87 2uuu s ASP 520 Ca 0.16 -0.27 0.05 0.00 -3.30 0.00 0.00 52.55 49.18 2uuu s ASP 520 Cb -0.05 -0.75 0.28 0.00 -1.09 0.00 0.00 42.92 41.31 2uuu s ASP 520 CO 0.85 0.32 0.78 0.23 0.70 0.00 0.00 175.17 178.06 2uuu n MET 521 N 2.13 0.54 0.11 2.11 2.81 -1.26 -3.05 117.12 120.51 2uuu n MET 521 Ca -0.17 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.71 2uuu n MET 521 Cb 0.52 -1.13 -0.02 0.00 -0.71 0.00 0.00 33.22 31.88 2uuu n MET 521 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2uuu h ALA 522 N 2.35 0.57 -0.03 3.04 0.00 -2.01 -3.27 119.26 119.91 2uuu h ALA 522 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 54.91 54.20 2uuu h ALA 522 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2uuu h ALA 522 CO 0.00 0.85 -0.41 -0.56 0.00 0.00 0.00 179.25 179.13 2uuu h GLN 523 N 0.00 0.07 0.21 0.00 3.07 -1.99 -2.81 115.11 113.67 2uuu h GLN 523 Ca -0.01 -0.03 -0.32 0.00 0.09 0.00 0.00 58.65 58.38 2uuu h GLN 523 Cb 1.51 -0.00 0.04 0.00 0.08 0.00 0.00 27.48 29.11 2uuu h GLN 523 CO 0.09 0.47 -1.38 1.88 0.09 0.00 0.00 178.83 179.98 2uuu h TYR 524 N 0.06 0.98 -0.24 0.06 -1.99 -1.81 -2.91 116.97 111.11 2uuu h TYR 524 Ca 0.00 -0.69 -0.06 0.00 2.00 0.00 0.00 58.73 59.98 2uuu h TYR 524 Cb 0.76 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 39.42 2uuu h TYR 524 CO 0.00 1.53 -0.12 -0.84 -0.00 0.00 0.00 178.16 178.73 2uuu h ILE 525 N 0.16 1.21 -0.43 -2.88 -0.00 -1.60 -1.73 117.51 112.23 2uuu h ILE 525 Ca -0.23 -0.92 -0.14 0.00 -0.00 0.00 0.00 64.86 63.57 2uuu h ILE 525 Cb 2.08 1.17 -0.01 0.00 -0.00 0.00 0.00 36.82 40.05 2uuu h ILE 525 CO 0.26 0.30 -0.27 -0.08 -0.00 0.00 0.00 178.15 178.36 2uuu h GLU 526 N 0.37 0.94 -0.25 0.16 4.81 -1.56 -0.32 114.58 118.74 2uuu h GLU 526 Ca 0.07 -0.44 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 2uuu h GLU 526 Cb 0.44 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2uuu h GLU 526 CO 0.03 1.10 -0.09 0.00 -0.73 0.00 0.00 179.01 179.32 2uuu h ALA 527 N 0.82 0.35 -0.87 2.92 0.00 -1.39 -2.47 119.26 118.61 2uuu h ALA 527 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2uuu h ALA 527 Cb 0.86 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 2uuu h ALA 527 CO 0.08 0.18 0.57 -0.22 0.00 0.00 0.00 179.25 179.85 2uuu h LYS 528 N 0.23 1.07 -0.50 0.00 1.63 -1.27 -2.62 116.57 115.11 2uuu h LYS 528 Ca 0.06 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2uuu h LYS 528 Cb 0.57 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2uuu h LYS 528 CO 0.03 0.71 0.23 -0.22 -3.45 0.00 0.00 179.45 176.75 2uuu h LYS 529 N 1.10 0.73 -0.29 1.90 3.64 -0.96 0.18 116.57 122.87 2uuu h LYS 529 Ca 0.35 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.65 2uuu h LYS 529 Cb -0.01 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.65 2uuu h LYS 529 CO -0.11 0.62 0.07 1.25 -2.27 0.00 0.00 179.45 179.01 2uuu h LEU 530 N 0.67 0.05 -0.24 5.20 6.46 -1.19 0.87 115.31 127.12 2uuu h LEU 530 Ca 0.17 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 2uuu h LEU 530 Cb 0.14 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 2uuu h LEU 530 CO -0.02 0.06 0.04 0.24 -0.62 0.00 0.00 178.44 178.14 2uuu h MET 531 N 0.19 0.40 -0.48 1.25 2.86 -1.27 -2.26 114.93 115.62 2uuu h MET 531 Ca 0.13 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2uuu h MET 531 Cb 0.13 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.69 2uuu h MET 531 CO -0.16 0.54 0.18 1.15 1.06 0.00 0.00 176.91 179.67 2uuu h THR 532 N 0.21 0.86 -0.07 2.22 2.02 -0.80 -1.88 112.91 115.46 2uuu h THR 532 Ca 0.07 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2uuu h THR 532 Cb 0.33 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2uuu h THR 532 CO 0.01 0.07 0.04 0.44 0.37 0.00 0.00 175.52 176.45 2uuu h ASP 533 N 0.36 0.08 -0.25 4.18 3.32 -0.74 -1.73 116.42 121.66 2uuu h ASP 533 Ca 0.22 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 2uuu h ASP 533 Cb 0.21 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2uuu h ASP 533 CO -0.22 0.09 -0.50 -0.29 -1.72 0.00 0.00 179.24 176.60 2uuu h ILE 534 N 0.07 1.28 -0.50 0.35 2.10 -1.33 -1.82 117.51 117.66 2uuu h ILE 534 Ca 0.03 -1.69 0.07 0.00 1.08 0.00 0.00 64.86 64.35 2uuu h ILE 534 Cb 0.02 1.58 -0.06 0.00 -1.09 0.00 0.00 36.82 37.27 2uuu h ILE 534 CO -0.01 0.55 0.17 0.40 -1.08 0.00 0.00 178.15 178.19 2uuu h ILE 535 N 0.65 0.82 -0.91 2.19 2.04 -1.30 -2.37 117.51 118.63 2uuu h ILE 535 Ca 0.03 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.79 2uuu h ILE 535 Cb 1.09 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2uuu h ILE 535 CO 0.11 0.06 0.60 0.15 0.00 0.00 0.00 178.15 179.07 2uuu h PHE 536 N 0.35 1.13 -0.89 1.37 3.04 -1.18 0.32 116.94 121.07 2uuu h PHE 536 Ca 0.24 0.03 0.12 0.00 3.98 0.00 0.00 57.97 62.34 2uuu h PHE 536 Cb 0.26 -0.38 -0.07 0.00 2.56 0.00 0.00 35.95 38.32 2uuu h PHE 536 CO -0.17 0.68 0.57 0.87 -2.02 0.00 0.00 178.31 178.25 2uuu h LYS 537 N 1.19 0.76 -0.60 1.11 1.57 -0.81 -2.75 116.57 117.04 2uuu h LYS 537 Ca 0.35 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2uuu h LYS 537 Cb -0.08 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2uuu h LYS 537 CO -0.09 0.51 0.00 0.66 -0.57 0.00 0.00 179.45 179.95 2uuu n TYR 538 N -4.55 0.79 -1.75 -1.35 4.02 -0.94 -4.93 117.16 108.45 2uuu n TYR 538 Ca 0.16 -0.40 -0.11 0.00 -0.01 0.00 0.00 57.90 57.55 2uuu n TYR 538 Cb 0.39 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.48 0.59 3.77 2.72 0.00 -1.03 -4.84 105.19 107.88 2uuu n GLY 539 Ca 0.20 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.70 2.87 0.66 -0.02 0.00 0.06 -4.81 107.32 103.38 2uuu s GLY 540 Ca 0.00 1.09 -0.17 0.00 0.00 0.00 0.00 44.72 45.65 2uuu s GLY 540 CO 0.00 1.62 1.18 -1.35 0.00 0.00 0.00 173.10 174.55 2uuu s SER 541 N -1.02 4.84 0.24 1.64 1.04 -0.51 -4.50 113.70 115.43 2uuu s SER 541 Ca 0.60 2.28 0.03 0.00 0.48 0.00 0.00 55.95 59.34 2uuu s SER 541 Cb -0.34 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 63.15 2uuu s SER 541 CO 0.42 -1.83 0.02 -0.76 0.98 0.00 0.00 173.24 172.08 2uuu s LEU 542 N -4.63 2.09 -0.30 2.42 1.43 -1.26 -4.30 118.68 114.14 2uuu s LEU 542 Ca 0.74 -1.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2uuu s LEU 542 Cb -0.27 -0.22 0.20 0.00 0.03 0.00 0.00 46.19 45.92 2uuu s LEU 542 CO 0.39 -0.56 1.47 -0.94 0.23 0.00 0.00 176.35 176.94 2uuu s SER 543 N -3.32 -0.01 0.00 2.29 1.04 -1.26 -5.11 113.70 107.33 2uuu s SER 543 Ca 0.31 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2uuu s SER 543 Cb 0.06 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2uuu s SER 543 CO 0.10 -0.00 0.00 -1.14 0.98 0.00 0.00 173.24 173.18 2uuu n ARG 562 N 1.31 0.00 0.00 4.02 3.00 -1.26 -5.21 116.66 118.52 2uuu n ARG 562 Ca -0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.81 2uuu n ARG 562 Cb 0.57 0.00 0.21 0.00 0.00 0.00 0.00 32.46 33.25 2uuu n ARG 562 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2uuu n GLY 563 N 0.00 -0.33 0.25 5.14 0.00 -1.26 -2.00 105.19 106.99 2uuu n GLY 563 Ca 0.00 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.80 1.61 4.06 -2.06 -3.00 115.95 115.76 2uuu h TRP 564 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2uuu h TRP 564 Cb 0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 2uuu h TRP 564 CO 0.00 0.06 0.53 0.82 -3.56 0.00 0.00 178.44 176.29 2uuu h ILE 565 N 0.00 1.21 -0.27 1.49 2.04 -1.84 0.10 117.51 120.23 2uuu h ILE 565 Ca -0.00 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.40 2uuu h ILE 565 Cb 0.70 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 2uuu h ILE 565 CO 0.01 0.20 -0.15 0.78 0.00 0.00 0.00 178.15 178.99 2uuu h ASN 566 N 1.09 0.46 0.51 1.72 2.35 -1.78 0.12 115.58 120.04 2uuu h ASN 566 Ca 0.29 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 2uuu h ASN 566 Cb -0.12 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2uuu h ASN 566 CO -0.06 0.64 -0.24 0.58 -1.65 0.00 0.00 177.43 176.69 2uuu h VAL 567 N 0.44 0.49 -0.64 2.81 2.07 -1.49 -2.09 116.25 117.83 2uuu h VAL 567 Ca 0.08 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2uuu h VAL 567 Cb 0.52 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2uuu h VAL 567 CO 0.03 0.02 0.26 0.22 0.02 0.00 0.00 177.57 178.13 2uuu h TYR 568 N -0.76 0.46 -0.94 1.57 5.03 -0.73 -1.65 116.97 119.95 2uuu h TYR 568 Ca -0.07 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 2uuu h TYR 568 Cb 0.56 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 38.68 2uuu h TYR 568 CO -0.02 0.13 0.58 0.00 -1.32 0.00 0.00 178.16 177.53 2uuu h ARG 569 N 0.46 1.26 -0.50 1.82 2.47 -0.91 0.11 114.38 119.09 2uuu h ARG 569 Ca 0.32 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.87 2uuu h ARG 569 Cb 0.39 -0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.42 2uuu h ARG 569 CO -0.30 0.87 0.06 0.66 0.56 0.00 0.00 179.97 181.81 2uuu h SER 570 N 1.29 0.82 -0.48 7.04 4.64 -0.82 -0.73 113.55 125.31 2uuu h SER 570 Ca 0.34 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2uuu h SER 570 Cb -0.08 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.77 2uuu h SER 570 CO -0.07 0.89 0.25 -0.07 -0.87 0.00 0.00 176.83 176.97 2uuu h LEU 571 N 0.72 0.60 -0.04 5.97 3.38 -0.59 -2.05 115.31 123.31 2uuu h LEU 571 Ca 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2uuu h LEU 571 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2uuu h LEU 571 CO 0.01 0.53 0.01 0.50 0.09 0.00 0.00 178.44 179.59 2uuu h LYS 572 N 0.63 0.06 0.00 1.13 1.63 -0.70 -0.90 116.57 118.42 2uuu h LYS 572 Ca 0.17 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.91 2uuu h LYS 572 Cb 0.07 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2uuu h LYS 572 CO -0.03 0.26 -0.20 0.93 -3.45 0.00 0.00 179.45 176.96 2uuu h GLU 573 N -0.15 0.00 0.04 1.90 5.08 -1.09 0.26 114.58 120.62 2uuu h GLU 573 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2uuu h GLU 573 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2uuu h GLU 573 CO -0.00 0.20 -0.02 1.15 -1.00 0.00 0.00 179.01 179.34 2uuu h THR 574 N 0.00 1.33 -0.23 1.13 2.02 -1.24 -3.11 112.91 112.81 2uuu h THR 574 Ca -0.00 -1.65 -0.19 0.00 0.77 0.00 0.00 66.41 65.34 2uuu h THR 574 Cb 0.37 2.35 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 2uuu h THR 574 CO 0.03 0.39 -0.61 0.40 0.37 0.00 0.00 175.52 176.10 2uuu h ILE 575 N -0.84 1.29 -2.07 3.11 2.04 -1.00 -3.40 117.51 116.66 2uuu h ILE 575 Ca -0.01 -1.82 -0.57 0.00 1.00 0.00 0.00 64.86 63.47 2uuu h ILE 575 Cb 0.68 1.76 -0.40 0.00 -0.74 0.00 0.00 36.82 38.12 2uuu h ILE 575 CO 0.01 0.58 -0.95 -0.67 0.00 0.00 0.00 178.15 177.12 2uuu n ASP 576 N -3.97 1.42 0.05 1.72 2.03 0.91 -3.32 116.55 115.39 2uuu n ASP 576 Ca -0.05 -2.97 0.08 0.00 0.52 0.00 0.00 54.79 52.38 2uuu n ASP 576 Cb 0.66 -0.64 0.53 0.00 -0.72 0.00 0.00 41.12 40.94 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 3.95 0.31 -0.04 -0.67 0.13 -1.70 -1.00 132.00 132.97 2uuu h PRO 577 Ca 0.11 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2uuu h PRO 577 Cb 0.81 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2uuu h PRO 577 CO 0.59 0.20 0.00 1.63 -0.23 0.00 0.00 178.00 180.19 2uuu n LYS 578 N -4.48 1.68 -3.56 0.86 5.02 -1.26 -4.96 118.16 111.45 2uuu n LYS 578 Ca 0.04 -0.99 -0.21 0.00 -2.02 0.00 0.00 58.31 55.13 2uuu n LYS 578 Cb 0.19 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.20 -3.70 0.08 4.39 4.64 -0.38 -4.92 116.55 116.86 2uuu n ASP 579 Ca 0.19 -0.63 0.10 0.00 -1.38 0.00 0.00 54.79 53.07 2uuu n ASP 579 Cb 0.35 -4.88 -0.03 0.00 -1.04 0.00 0.00 41.12 35.52 2uuu n ASP 579 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2uuu n ILE 580 N -4.50 0.58 -2.79 5.18 -5.35 -1.26 -4.48 119.36 106.74 2uuu n ILE 580 Ca -0.16 -0.56 -0.43 0.00 -0.27 0.00 0.00 62.75 61.34 2uuu n ILE 580 Cb 0.62 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.16 2uuu n ILE 580 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2uuu n ASN 582 N 7.46 -3.07 -4.73 0.00 5.15 -0.53 -4.38 115.26 115.16 2uuu n ASN 582 Ca 0.05 -0.80 -0.42 0.00 -0.60 0.00 0.00 54.58 52.81 2uuu n ASN 582 Cb 0.48 -1.09 -0.01 0.00 -0.53 0.00 0.00 39.78 38.62 2uuu n ASN 582 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2uuu n PRO 583 N -2.89 2.49 -4.30 1.20 -0.04 -1.26 -4.72 135.00 125.48 2uuu n PRO 583 Ca -0.15 0.88 -0.16 0.00 -0.04 0.00 0.00 63.50 64.03 2uuu n PRO 583 Cb 0.44 -2.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.20 2uuu n PRO 583 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2uuu s ARG 584 N -1.05 1.19 -0.13 0.54 1.81 -1.26 -4.64 118.95 115.41 2uuu s ARG 584 Ca 0.61 -1.52 -0.07 0.00 -1.72 0.00 0.00 55.73 53.04 2uuu s ARG 584 Cb -0.53 -0.87 -0.04 0.00 -0.45 0.00 0.00 34.95 33.06 2uuu s ARG 584 CO 0.54 0.13 -0.02 0.87 -0.68 0.00 0.00 175.30 176.14 2uuu h LYS 585 N 2.68 0.00 0.00 3.54 6.56 -1.99 -3.54 116.57 123.82 2uuu h LYS 585 Ca -0.37 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 2uuu h LYS 585 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 2uuu h LYS 585 CO 0.63 0.11 0.00 1.47 -2.06 0.00 0.00 179.45 179.60