#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uuu s ILE 13 N 0.00 1.90 0.56 3.57 -1.09 -1.26 -5.13 121.20 119.75 2uuu s ILE 13 Ca 0.00 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.43 2uuu s ILE 13 Cb 0.00 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 39.13 2uuu s ILE 13 CO 0.00 0.52 0.97 -1.81 -1.23 0.00 0.00 174.94 173.39 2uuu s ASP 14 N 0.98 6.35 0.49 3.58 1.01 -1.26 -4.96 116.67 122.86 2uuu s ASP 14 Ca -0.04 1.37 0.14 0.00 0.71 0.00 0.00 52.55 54.73 2uuu s ASP 14 Cb -0.15 -2.44 1.16 0.00 1.01 0.00 0.00 42.92 42.50 2uuu s ASP 14 CO -0.04 -0.73 2.11 -0.07 0.21 0.00 0.00 175.17 176.64 2uuu h LEU 15 N 0.16 0.15 -2.14 1.23 3.38 -1.99 -0.80 115.31 115.30 2uuu h LEU 15 Ca -0.45 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 2uuu h LEU 15 Cb 1.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 2uuu h LEU 15 CO 0.62 0.10 -0.02 0.10 0.09 0.00 0.00 178.44 179.33 2uuu h TYR 16 N 0.17 0.00 0.00 1.13 -0.00 -1.93 0.08 116.97 116.43 2uuu h TYR 16 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.80 2uuu h TYR 16 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.82 2uuu h TYR 16 CO -0.00 0.02 -0.58 1.04 -0.00 0.00 0.00 178.16 178.65 2uuu n GLN 17 N -3.19 0.15 -0.00 0.10 6.02 -0.32 -4.18 117.38 115.96 2uuu n GLN 17 Ca -0.01 0.04 0.10 0.00 -0.01 0.00 0.00 57.00 57.11 2uuu n GLN 17 Cb 0.20 -1.59 -0.13 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 -1.80 0.56 -4.61 -1.09 6.02 -0.07 -4.93 117.38 111.46 2uuu n GLN 18 Ca 0.04 -0.06 -0.33 0.00 -0.01 0.00 0.00 57.00 56.64 2uuu n GLN 18 Cb 0.39 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 30.08 2uuu n GLN 18 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2uuu s ILE 19 N -3.03 3.56 0.21 5.09 1.01 -0.69 -2.03 121.20 125.34 2uuu s ILE 19 Ca 0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 60.65 59.86 2uuu s ILE 19 Cb 0.14 -2.50 -0.13 0.00 0.01 0.00 0.00 42.46 39.98 2uuu s ILE 19 CO 0.82 0.54 1.53 0.29 0.00 0.00 0.00 174.94 178.12 2uuu n LYS 20 N 2.98 2.24 0.09 2.79 5.02 0.11 -4.84 118.16 126.55 2uuu n LYS 20 Ca -0.18 0.80 0.13 0.00 -2.02 0.00 0.00 58.31 57.04 2uuu n LYS 20 Cb 0.53 -2.54 0.35 0.00 -0.02 0.00 0.00 35.03 33.35 2uuu n LYS 20 CO 0.00 0.00 0.00 -2.67 -0.52 0.00 0.00 177.40 174.21 2uuu n TRP 21 N 2.70 0.82 -1.89 2.13 4.27 -1.26 -3.81 117.44 120.40 2uuu n TRP 21 Ca 0.14 0.24 0.05 0.00 -3.89 0.00 0.00 57.50 54.03 2uuu n TRP 21 Cb 0.31 -0.86 0.09 0.00 -1.36 0.00 0.00 31.31 29.49 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 -2.21 1.19 -0.15 -0.67 0.23 -1.26 -4.87 115.26 107.52 2uuu n ASN 22 Ca 0.05 -2.69 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 2uuu n ASN 22 Cb 0.43 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 2uuu n ASN 22 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2uuu n GLY 23 N -0.38 2.30 3.86 4.83 0.00 -1.25 -4.86 105.19 109.69 2uuu n GLY 23 Ca 0.10 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.40 3.57 0.00 1.61 -0.11 -1.26 -4.46 118.94 114.89 2uuu s TRP 24 Ca 0.00 0.50 0.00 0.00 1.22 0.00 0.00 56.10 57.82 2uuu s TRP 24 Cb 0.00 -1.97 0.00 0.00 -1.50 0.00 0.00 33.47 30.00 2uuu s TRP 24 CO 0.00 0.68 0.00 0.41 -4.62 0.00 0.00 176.95 173.42 2uuu n GLY 25 N 2.19 0.13 3.70 5.86 0.00 -1.26 -4.62 105.19 111.19 2uuu n GLY 25 Ca -0.19 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 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 6.70 0.62 1.61 -1.08 -1.26 -0.72 116.67 118.54 2uuu s ASP 26 Ca 0.00 2.38 0.33 0.00 -0.52 0.00 0.00 52.55 54.74 2uuu s ASP 26 Cb 0.00 -2.57 1.85 0.00 -1.46 0.00 0.00 42.92 40.74 2uuu s ASP 26 CO 0.00 -0.80 2.15 0.71 0.52 0.00 0.00 175.17 177.75 2uuu h THR 27 N 4.65 0.29 -0.12 1.71 1.35 -1.72 -1.75 112.91 117.32 2uuu h THR 27 Ca -0.41 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2uuu h THR 27 Cb 1.20 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2uuu h THR 27 CO 0.91 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 176.72 2uuu n ARG 28 N -3.50 1.85 -4.57 4.72 1.74 -1.26 -4.85 116.66 110.80 2uuu n ARG 28 Ca -0.01 -1.26 -0.31 0.00 -0.77 0.00 0.00 57.85 55.51 2uuu n ARG 28 Cb 0.25 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.08 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 -1.86 2.64 -0.09 5.56 2.20 -0.66 -3.10 119.74 124.43 2uuu s LYS 29 Ca 0.35 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2uuu s LYS 29 Cb 0.20 -2.18 0.11 0.00 -1.51 0.00 0.00 37.83 34.45 2uuu s LYS 29 CO 0.30 -0.04 0.91 -0.59 -0.36 0.00 0.00 175.35 175.57 2uuu s PHE 30 N 0.90 -0.41 0.31 4.03 -0.71 0.13 -4.72 117.98 117.50 2uuu s PHE 30 Ca -0.07 0.59 -0.20 0.00 -1.04 0.00 0.00 56.93 56.21 2uuu s PHE 30 Cb -0.15 0.47 -0.09 0.00 -1.21 0.00 0.00 43.02 42.04 2uuu s PHE 30 CO -0.02 -0.45 0.82 -0.51 -1.34 0.00 0.00 175.22 173.72 2uuu s LEU 31 N -1.54 4.21 0.01 -1.99 1.43 -1.26 -0.87 118.68 118.67 2uuu s LEU 31 Ca -0.01 1.54 -0.24 0.00 -1.03 0.00 0.00 54.13 54.39 2uuu s LEU 31 Cb -0.01 -3.98 0.05 0.00 0.03 0.00 0.00 46.19 42.29 2uuu s LEU 31 CO -0.00 -0.12 0.55 -1.38 0.23 0.00 0.00 176.35 175.63 2uuu s HIS 32 N -1.77 -0.48 -0.20 0.29 -3.43 0.53 -4.85 115.29 105.38 2uuu s HIS 32 Ca 0.51 0.66 -0.20 0.00 -0.80 0.00 0.00 55.06 55.23 2uuu s HIS 32 Cb -0.14 0.34 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 2uuu s HIS 32 CO 0.19 -0.60 0.59 -1.14 -2.00 0.00 0.00 174.74 171.78 2uuu s GLN 33 N -1.90 4.19 0.35 -0.38 0.74 -1.26 0.26 119.66 121.65 2uuu s GLN 33 Ca -0.08 0.54 -0.23 0.00 0.05 0.00 0.00 55.36 55.64 2uuu s GLN 33 Cb -0.01 -3.58 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 2uuu s GLN 33 CO 0.03 -0.23 0.91 -0.51 -0.55 0.00 0.00 175.29 174.93 2uuu s LEU 34 N 1.89 4.19 0.02 3.68 1.43 0.10 -4.95 118.68 125.04 2uuu s LEU 34 Ca 0.27 1.70 0.09 0.00 -1.03 0.00 0.00 54.13 55.16 2uuu s LEU 34 Cb -0.16 -4.14 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 2uuu s LEU 34 CO 0.10 -0.16 -0.25 -0.54 0.23 0.00 0.00 176.35 175.72 2uuu s LYS 35 N -2.48 1.87 0.00 1.70 -0.14 -1.26 -0.16 119.74 119.28 2uuu s LYS 35 Ca 0.54 -1.01 0.28 0.00 -1.36 0.00 0.00 55.97 54.42 2uuu s LYS 35 Cb -0.15 -1.94 1.17 0.00 -1.68 0.00 0.00 37.83 35.24 2uuu s LYS 35 CO 0.19 0.52 1.82 -0.35 -0.76 0.00 0.00 175.35 176.77 2uuu n PRO 36 N 2.07 0.92 0.26 -1.68 -0.04 -1.26 -4.89 135.00 130.38 2uuu n PRO 36 Ca -0.16 -0.39 0.16 0.00 -0.04 0.00 0.00 63.50 63.07 2uuu n PRO 36 Cb 0.52 -1.49 0.89 0.00 -0.04 0.00 0.00 33.50 33.38 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 0.95 0.00 0.00 3.54 4.64 -2.00 -3.45 113.55 117.24 2uuu h SER 37 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uuu h SER 37 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2uuu h SER 37 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2uuu n GLY 38 N -1.34 1.57 3.76 -0.77 0.00 0.78 -4.99 105.19 104.19 2uuu n GLY 38 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.32 2.73 0.11 2.61 2.01 -1.24 -4.55 115.64 114.01 2uuu s THR 39 Ca 0.00 0.70 -0.25 0.00 0.31 0.00 0.00 61.69 62.45 2uuu s THR 39 Cb 0.00 -3.45 -0.07 0.00 0.01 0.00 0.00 72.50 68.99 2uuu s THR 39 CO 0.00 0.15 0.76 -0.63 -0.69 0.00 0.00 174.62 174.22 2uuu s ILE 40 N -0.83 4.52 0.14 1.82 1.01 -1.26 0.03 121.20 126.63 2uuu s ILE 40 Ca 0.51 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.86 2uuu s ILE 40 Cb -0.40 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2uuu s ILE 40 CO 0.50 0.46 -0.10 0.00 0.00 0.00 0.00 174.94 175.81 2uuu s ALA 41 N -0.72 1.37 -0.16 9.38 0.00 0.14 -0.55 121.76 131.23 2uuu s ALA 41 Ca 0.37 -1.46 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 2uuu s ALA 41 Cb -0.22 0.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 2uuu s ALA 41 CO 0.25 -0.11 -0.14 1.41 0.00 0.00 0.00 175.76 177.16 2uuu s MET 42 N -3.71 3.25 -0.13 0.00 1.75 0.46 -0.35 119.30 120.57 2uuu s MET 42 Ca 0.15 -0.73 -0.04 0.00 -1.25 0.00 0.00 55.69 53.82 2uuu s MET 42 Cb 0.03 -2.66 -0.04 0.00 2.84 0.00 0.00 34.83 35.00 2uuu s MET 42 CO -0.00 0.01 0.03 0.99 -0.65 0.00 0.00 175.02 175.40 2uuu s THR 43 N 0.84 4.56 0.32 10.11 2.01 -0.05 -0.74 115.64 132.68 2uuu s THR 43 Ca -0.04 -0.14 0.06 0.00 0.31 0.00 0.00 61.69 61.88 2uuu s THR 43 Cb -0.15 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 2uuu s THR 43 CO -0.00 0.55 -0.02 0.42 -0.69 0.00 0.00 174.62 174.88 2uuu s THR 44 N -0.36 1.63 0.55 -0.82 -4.23 -0.41 -0.70 115.64 111.30 2uuu s THR 44 Ca 0.08 -2.08 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 2uuu s THR 44 Cb -0.12 -2.65 0.46 0.00 1.34 0.00 0.00 72.50 71.53 2uuu s THR 44 CO 0.02 -0.16 1.88 -0.65 -0.54 0.00 0.00 174.62 175.17 2uuu h PRO 45 N 2.13 0.00 0.00 3.99 0.11 -1.97 -3.10 132.00 133.16 2uuu h PRO 45 Ca -0.41 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.47 2uuu h PRO 45 Cb 1.24 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 2uuu h PRO 45 CO 0.70 0.00 -1.99 -0.85 -0.21 0.00 0.00 178.00 175.65 2uuu n GLU 46 N -4.14 1.36 -4.12 1.05 0.00 -1.26 -4.91 120.64 108.61 2uuu n GLU 46 Ca 0.16 -0.03 -0.26 0.00 0.00 0.00 0.00 57.16 57.04 2uuu n GLU 46 Cb 0.91 -1.39 -0.17 0.00 0.00 0.00 0.00 31.44 30.79 2uuu n GLU 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2uuu s VAL 47 N -2.49 1.00 0.08 3.84 1.01 -1.17 -5.15 120.40 117.52 2uuu s VAL 47 Ca -0.07 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.40 2uuu s VAL 47 Cb 0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 2uuu s VAL 47 CO 0.63 0.35 0.57 -0.55 0.00 0.00 0.00 175.10 176.10 2uuu s SER 48 N 1.36 7.06 -1.30 3.32 0.15 -1.26 -1.29 113.70 121.73 2uuu s SER 48 Ca -0.02 1.26 -0.02 0.00 0.70 0.00 0.00 55.95 57.88 2uuu s SER 48 Cb -0.14 -2.36 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2uuu s SER 48 CO -0.04 0.27 0.65 -1.20 1.20 0.00 0.00 173.24 174.12 2uuu n SER 49 N 1.69 -1.46 -4.67 5.45 7.64 -1.21 -4.94 113.62 116.11 2uuu n SER 49 Ca -0.10 -0.87 -0.43 0.00 1.01 0.00 0.00 58.87 58.48 2uuu n SER 49 Cb 0.51 -3.83 -0.02 0.00 -1.01 0.00 0.00 64.21 59.85 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 -3.71 4.75 0.41 0.44 1.01 0.08 -4.81 120.40 118.56 2uuu s VAL 50 Ca 0.05 2.01 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 2uuu s VAL 50 Cb -0.02 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2uuu s VAL 50 CO 0.83 -0.07 1.10 -2.84 0.00 0.00 0.00 175.10 174.12 2uuu s PRO 51 N 2.53 4.08 -0.66 2.72 0.02 -1.26 -0.40 135.00 142.03 2uuu s PRO 51 Ca 0.46 1.65 0.05 0.00 0.02 0.00 0.00 61.00 63.17 2uuu s PRO 51 Cb -0.17 -2.57 0.17 0.00 0.02 0.00 0.00 34.50 31.94 2uuu s PRO 51 CO 0.12 -0.24 0.46 -0.51 -0.33 0.00 0.00 177.00 176.50 2uuu s LEU 52 N -2.63 4.44 0.62 -5.54 1.43 0.29 -4.35 118.68 112.94 2uuu s LEU 52 Ca 0.58 -3.69 0.33 0.00 -1.03 0.00 0.00 54.13 50.32 2uuu s LEU 52 Cb -0.26 -1.52 1.88 0.00 0.03 0.00 0.00 46.19 46.32 2uuu s LEU 52 CO 0.32 -0.11 2.17 -0.65 0.23 0.00 0.00 176.35 178.31 2uuu h PRO 53 N 5.54 0.00 0.00 1.29 0.11 -1.80 -2.84 132.00 134.29 2uuu h PRO 53 Ca 0.13 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.92 2uuu h PRO 53 Cb 0.78 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.84 2uuu h PRO 53 CO 0.68 0.00 -1.95 0.43 -0.21 0.00 0.00 178.00 176.95 2uuu n SER 54 N -3.50 0.58 -0.34 -2.05 7.64 -1.26 -4.45 113.62 110.23 2uuu n SER 54 Ca -0.01 0.27 -0.03 0.00 1.01 0.00 0.00 58.87 60.11 2uuu n SER 54 Cb 0.23 0.30 0.09 0.00 -1.01 0.00 0.00 64.21 63.82 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 1.08 -0.28 -3.43 5.85 -1.49 -0.11 115.31 116.93 2uuu h LEU 55 Ca -0.38 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2uuu h LEU 55 Cb 2.10 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2uuu h LEU 55 CO 0.06 0.81 0.17 -0.09 -0.34 0.00 0.00 178.44 179.05 2uuu h ARG 56 N 1.26 0.39 -0.87 1.25 2.43 -1.78 -0.66 114.38 116.40 2uuu h ARG 56 Ca 0.33 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 2uuu h ARG 56 Cb -0.09 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 2uuu h ARG 56 CO -0.07 0.30 0.51 0.78 -1.51 0.00 0.00 179.97 179.99 2uuu h GLY 57 N 0.36 1.27 0.86 2.80 0.00 -1.69 0.10 103.07 106.77 2uuu h GLY 57 Ca 0.10 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2uuu h GLY 57 CO -0.02 0.52 0.05 -2.75 0.00 0.00 0.00 176.54 174.34 2uuu h PHE 58 N 1.20 0.19 0.29 5.60 3.04 -0.67 0.17 116.94 126.76 2uuu h PHE 58 Ca 0.31 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.23 2uuu h PHE 58 Cb -0.03 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 38.42 2uuu h PHE 58 CO 0.01 0.29 -0.14 0.82 -2.02 0.00 0.00 178.31 177.27 2uuu h ILE 59 N 0.04 0.73 -0.56 1.41 2.04 -0.98 -0.43 117.51 119.76 2uuu h ILE 59 Ca 0.04 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.87 2uuu h ILE 59 Cb 0.18 0.82 -0.11 0.00 -0.74 0.00 0.00 36.82 36.97 2uuu h ILE 59 CO -0.00 0.03 -0.17 0.50 0.00 0.00 0.00 178.15 178.51 2uuu h LYS 60 N -0.46 -0.03 -0.13 2.37 3.64 -0.82 0.17 116.57 121.30 2uuu h LYS 60 Ca -0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2uuu h LYS 60 Cb 0.35 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 2uuu h LYS 60 CO 0.07 -0.02 -0.11 -0.22 -2.27 0.00 0.00 179.45 176.89 2uuu h LYS 61 N -0.03 -0.12 0.00 1.90 1.63 -0.53 -2.59 116.57 116.82 2uuu h LYS 61 Ca 0.27 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 2uuu h LYS 61 Cb 0.44 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2uuu h LYS 61 CO -0.59 -0.08 -0.47 0.93 -3.45 0.00 0.00 179.45 175.79 2uuu h GLU 62 N -0.13 0.00 0.00 1.90 4.39 -0.53 -3.32 114.58 116.89 2uuu h GLU 62 Ca 0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2uuu h GLU 62 Cb 0.25 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2uuu h GLU 62 CO -0.20 0.00 -0.20 1.28 -1.16 0.00 0.00 179.01 178.73 2uuu n LEU 63 N -2.64 2.20 -4.62 1.33 4.77 -0.00 -4.56 117.00 113.47 2uuu n LEU 63 Ca 0.03 -3.08 -0.39 0.00 -0.03 0.00 0.00 56.01 52.53 2uuu n LEU 63 Cb 0.50 -0.40 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2uuu n LEU 63 CO 0.36 0.84 0.16 -0.89 -1.33 0.00 0.00 177.39 176.52 2uuu s THR 64 N -2.63 5.13 -0.13 -5.08 2.01 -0.98 -4.76 115.64 109.20 2uuu s THR 64 Ca 0.31 0.74 -0.29 0.00 0.31 0.00 0.00 61.69 62.76 2uuu s THR 64 Cb 0.28 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 2uuu s THR 64 CO -0.00 0.14 1.79 -0.22 -0.69 0.00 0.00 174.62 175.64 2uuu s LEU 65 N 2.03 4.02 -0.19 4.42 0.20 -1.26 -4.90 118.68 123.00 2uuu s LEU 65 Ca 0.19 2.01 -0.39 0.00 0.69 0.00 0.00 54.13 56.63 2uuu s LEU 65 Cb -0.16 -3.53 -0.15 0.00 -0.43 0.00 0.00 46.19 41.92 2uuu s LEU 65 CO 0.09 -1.26 1.69 -2.65 -0.29 0.00 0.00 176.35 173.93 2uuu n PRO 66 N 7.70 1.29 0.00 0.98 -0.02 -1.26 -1.44 135.00 142.26 2uuu n PRO 66 Ca 0.20 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2uuu n PRO 66 Cb 0.44 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2uuu n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2uuu n GLY 67 N 3.94 1.36 2.21 -1.23 0.00 -1.26 -4.98 105.19 105.22 2uuu n GLY 67 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 2uuu n GLY 67 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2uuu n GLU 68 N -0.65 3.42 0.18 1.61 -0.58 -0.52 -4.75 120.64 119.35 2uuu n GLU 68 Ca 0.00 -4.11 0.12 0.00 -0.42 0.00 0.00 57.16 52.75 2uuu n GLU 68 Cb 0.00 -2.27 0.19 0.00 -0.57 0.00 0.00 31.44 28.78 2uuu n GLU 68 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2uuu h GLU 69 N 2.29 0.00 0.00 3.49 3.07 -1.94 -3.17 114.58 118.32 2uuu h GLU 69 Ca 0.39 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.17 2uuu h GLU 69 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 2uuu h GLU 69 CO 0.91 0.00 -0.38 0.38 -1.40 0.00 0.00 179.01 178.52 2uuu h ASP 70 N 0.00 0.00 -3.97 1.42 -0.00 -1.98 -3.46 116.42 108.42 2uuu h ASP 70 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.03 56.53 2uuu h ASP 70 Cb 0.94 0.00 0.05 0.00 -0.00 0.00 0.00 39.33 40.33 2uuu h ASP 70 CO 0.00 0.38 0.48 -0.54 -0.00 0.00 0.00 179.24 179.56 2uuu s LYS 71 N -3.96 3.93 0.19 4.15 1.02 -1.20 -4.98 119.74 118.89 2uuu s LYS 71 Ca -0.02 1.76 -0.33 0.00 0.02 0.00 0.00 55.97 57.40 2uuu s LYS 71 Cb 0.13 -2.52 -0.13 0.00 -0.52 0.00 0.00 37.83 34.79 2uuu s LYS 71 CO 0.70 -0.40 1.63 -0.35 -0.92 0.00 0.00 175.35 176.01 2uuu n PRO 72 N -0.22 2.42 -2.94 -1.68 -0.04 -1.26 -4.99 135.00 126.30 2uuu n PRO 72 Ca 0.06 0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 63.98 2uuu n PRO 72 Cb 0.48 -2.67 -0.04 0.00 -0.04 0.00 0.00 33.50 31.22 2uuu n PRO 72 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2uuu s PHE 73 N 0.97 3.50 -0.09 0.54 5.36 -1.26 -5.04 117.98 121.96 2uuu s PHE 73 Ca 0.77 1.29 -0.06 0.00 -0.96 0.00 0.00 56.93 57.96 2uuu s PHE 73 Cb -0.60 -2.94 0.03 0.00 -0.34 0.00 0.00 43.02 39.17 2uuu s PHE 73 CO 0.36 -0.10 0.21 0.54 -1.46 0.00 0.00 175.22 174.78 2uuu s VAL 74 N 1.54 -0.02 -0.60 3.12 0.11 -1.26 -5.10 120.40 118.19 2uuu s VAL 74 Ca 0.39 0.06 -0.28 0.00 -2.93 0.00 0.00 61.98 59.23 2uuu s VAL 74 Cb -0.17 -0.32 0.02 0.00 -1.53 0.00 0.00 36.38 34.38 2uuu s VAL 74 CO 0.16 0.03 1.35 -0.76 -3.33 0.00 0.00 175.10 172.54 2uuu s LEU 75 N 0.57 3.37 -0.13 2.54 1.02 -1.26 -4.99 118.68 119.79 2uuu s LEU 75 Ca -0.04 0.10 -0.29 0.00 0.02 0.00 0.00 54.13 53.92 2uuu s LEU 75 Cb -0.05 -2.97 -0.03 0.00 0.02 0.00 0.00 46.19 43.16 2uuu s LEU 75 CO -0.03 -1.70 1.39 -1.81 0.02 0.00 0.00 176.35 174.22 2uuu s ASP 76 N 4.03 6.85 -0.03 2.29 -0.00 -1.26 -4.98 116.67 123.58 2uuu s ASP 76 Ca 0.47 1.86 -0.28 0.00 -0.00 0.00 0.00 52.55 54.60 2uuu s ASP 76 Cb -0.09 -2.54 -0.03 0.00 -0.00 0.00 0.00 42.92 40.26 2uuu s ASP 76 CO 0.23 -0.82 0.91 -1.61 -0.00 0.00 0.00 175.17 173.88 2uuu s GLU 77 N 3.69 4.52 -0.49 8.23 2.02 -1.26 -2.60 118.70 132.80 2uuu s GLU 77 Ca 0.61 1.27 0.07 0.00 0.02 0.00 0.00 54.97 56.93 2uuu s GLU 77 Cb -0.25 -3.46 0.23 0.00 0.10 0.00 0.00 34.13 30.75 2uuu s GLU 77 CO 0.19 -0.04 0.57 0.25 0.02 0.00 0.00 175.26 176.26 2uuu n THR 78 N 3.91 0.37 -1.93 3.63 -2.24 0.19 -4.88 114.28 113.33 2uuu n THR 78 Ca 0.04 -4.38 -0.36 0.00 -2.27 0.00 0.00 64.05 57.07 2uuu n THR 78 Cb 0.51 -1.98 0.04 0.00 -2.10 0.00 0.00 70.33 66.80 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 -1.47 2.85 0.70 -0.78 0.04 -1.26 -4.36 135.00 130.72 2uuu s PRO 79 Ca 0.36 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.18 2uuu s PRO 79 Cb 0.13 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.78 2uuu s PRO 79 CO -0.09 -1.32 1.08 0.00 0.04 0.00 0.00 177.00 176.70 2uuu s ALA 80 N -1.53 2.53 0.38 8.56 0.00 -1.26 -5.01 121.76 125.43 2uuu s ALA 80 Ca 0.79 0.26 -0.26 0.00 0.00 0.00 0.00 51.96 52.75 2uuu s ALA 80 Cb -0.33 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 2uuu s ALA 80 CO 0.35 -1.32 1.17 -0.51 0.00 0.00 0.00 175.76 175.45 2uuu s LEU 81 N -5.38 4.27 0.51 0.00 1.43 -0.43 -5.01 118.68 114.06 2uuu s LEU 81 Ca 0.61 2.37 -0.20 0.00 -1.03 0.00 0.00 54.13 55.87 2uuu s LEU 81 Cb -0.16 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.06 2uuu s LEU 81 CO 0.50 -0.58 1.11 -1.10 0.23 0.00 0.00 176.35 176.51 2uuu s GLN 82 N -2.13 3.56 0.30 1.70 -0.21 -1.26 -4.95 119.66 116.67 2uuu s GLN 82 Ca 0.54 1.58 -0.01 0.00 0.02 0.00 0.00 55.36 57.49 2uuu s GLN 82 Cb -0.32 -2.12 0.46 0.00 1.00 0.00 0.00 33.01 32.03 2uuu s GLN 82 CO 0.40 -0.67 1.95 0.97 -2.12 0.00 0.00 175.29 175.82 2uuu h ILE 83 N 1.44 1.21 0.00 1.08 2.10 -1.95 -1.61 117.51 119.77 2uuu h ILE 83 Ca -0.50 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 64.99 2uuu h ILE 83 Cb 1.25 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.12 2uuu h ILE 83 CO 0.58 0.22 0.00 -1.84 -1.08 0.00 0.00 178.15 176.03 2uuu n GLU 84 N -4.39 0.02 0.00 2.19 0.00 -1.26 -1.39 120.64 115.81 2uuu n GLU 84 Ca 0.08 0.36 0.08 0.00 0.00 0.00 0.00 57.16 57.68 2uuu n GLU 84 Cb 0.06 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.01 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 -1.46 1.69 -4.70 -1.84 3.02 -0.61 -4.96 115.26 106.39 2uuu n ASN 85 Ca 0.02 -1.35 -0.39 0.00 -0.03 0.00 0.00 54.58 52.83 2uuu n ASN 85 Cb 0.07 0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 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 -1.82 5.09 -0.08 2.41 1.01 -0.49 -5.01 121.20 122.32 2uuu s ILE 86 Ca 0.14 1.18 -0.19 0.00 0.00 0.00 0.00 60.65 61.78 2uuu s ILE 86 Cb 0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2uuu s ILE 86 CO 0.38 0.24 0.52 -2.28 0.00 0.00 0.00 174.94 173.80 2uuu s HIS 87 N 1.08 3.57 -0.05 3.97 5.65 -1.26 -5.03 115.29 123.21 2uuu s HIS 87 Ca 0.30 1.00 0.04 0.00 0.25 0.00 0.00 55.06 56.65 2uuu s HIS 87 Cb -0.16 -2.58 0.00 0.00 -1.18 0.00 0.00 32.58 28.66 2uuu s HIS 87 CO 0.13 0.22 -0.15 0.08 -0.65 0.00 0.00 174.74 174.37 2uuu s VAL 88 N 0.39 1.28 0.54 0.89 1.01 -1.26 -4.50 120.40 118.74 2uuu s VAL 88 Ca 0.28 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.43 2uuu s VAL 88 Cb -0.16 -1.11 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2uuu s VAL 88 CO 0.13 0.38 1.25 0.47 0.00 0.00 0.00 175.10 177.32 2uuu n ASP 89 N 3.32 2.19 -4.67 3.32 8.00 -1.26 -4.94 116.55 122.52 2uuu n ASP 89 Ca -0.19 0.96 -0.37 0.00 0.71 0.00 0.00 54.79 55.90 2uuu n ASP 89 Cb 0.53 -1.52 0.07 0.00 -0.02 0.00 0.00 41.12 40.18 2uuu n ASP 89 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2uuu n PRO 90 N -0.85 0.87 -1.51 -0.24 -0.04 -1.26 -4.94 135.00 127.03 2uuu n PRO 90 Ca 0.11 0.35 -0.34 0.00 -0.04 0.00 0.00 63.50 63.58 2uuu n PRO 90 Cb 0.44 -2.35 0.08 0.00 -0.04 0.00 0.00 33.50 31.64 2uuu n PRO 90 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2uuu s PRO 91 N -3.20 2.31 0.88 0.54 0.04 -1.26 -5.00 135.00 129.31 2uuu s PRO 91 Ca 0.79 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 63.37 2uuu s PRO 91 Cb -0.38 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.42 2uuu s PRO 91 CO 0.45 -1.68 1.11 0.15 0.04 0.00 0.00 177.00 177.06 2uuu s LYS 92 N -3.97 1.31 -0.08 4.56 1.02 -1.26 -5.05 119.74 116.27 2uuu s LYS 92 Ca 0.72 1.25 0.01 0.00 0.02 0.00 0.00 55.97 57.98 2uuu s LYS 92 Cb -0.27 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2uuu s LYS 92 CO 0.44 -2.33 -0.10 -0.65 -0.92 0.00 0.00 175.35 171.79 2uuu s GLN 93 N -4.76 2.85 -0.43 1.68 -0.21 -1.26 -4.99 119.66 112.54 2uuu s GLN 93 Ca 0.64 -0.61 0.07 0.00 0.02 0.00 0.00 55.36 55.48 2uuu s GLN 93 Cb -0.20 -2.56 0.25 0.00 1.00 0.00 0.00 33.01 31.50 2uuu s GLN 93 CO 0.58 0.54 0.66 0.98 -2.12 0.00 0.00 175.29 175.93 2uuu n TYR 94 N 2.57 -1.48 -0.26 0.91 -0.00 -1.26 -5.00 117.16 112.63 2uuu n TYR 94 Ca -0.18 -2.89 0.06 0.00 -0.00 0.00 0.00 57.90 54.90 2uuu n TYR 94 Cb 0.53 0.37 0.29 0.00 -0.00 0.00 0.00 39.34 40.52 2uuu n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 2uuu h PRO 95 N 4.02 0.87 -0.63 2.98 0.13 -1.99 -2.04 132.00 135.35 2uuu h PRO 95 Ca -0.01 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2uuu h PRO 95 Cb 0.94 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 2uuu h PRO 95 CO 0.41 0.58 0.08 1.05 -0.23 0.00 0.00 178.00 179.89 2uuu h GLU 96 N 0.90 1.05 -0.01 0.86 9.09 -1.99 0.52 114.58 125.00 2uuu h GLU 96 Ca 0.37 -0.29 -0.00 0.00 0.05 0.00 0.00 59.36 59.49 2uuu h GLU 96 Cb 0.28 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2uuu h GLU 96 CO -0.14 0.99 0.00 0.35 0.05 0.00 0.00 179.01 180.26 2uuu h PHE 97 N 0.96 0.01 -0.29 2.06 3.04 -1.90 -3.06 116.94 117.77 2uuu h PHE 97 Ca 0.19 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.05 2uuu h PHE 97 Cb 0.46 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.95 2uuu h PHE 97 CO 0.03 0.18 -0.20 0.28 -2.02 0.00 0.00 178.31 176.58 2uuu h VAL 98 N -0.15 1.25 -0.16 1.41 2.07 -1.28 -2.34 116.25 117.06 2uuu h VAL 98 Ca 0.00 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.38 2uuu h VAL 98 Cb 0.17 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2uuu h VAL 98 CO -0.00 0.38 -0.15 -0.09 0.02 0.00 0.00 177.57 177.74 2uuu h ARG 99 N 0.48 -0.17 -0.70 1.57 2.43 -0.89 -0.84 114.38 116.26 2uuu h ARG 99 Ca 0.08 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2uuu h ARG 99 Cb 0.61 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2uuu h ARG 99 CO 0.04 -0.11 0.30 0.93 -1.51 0.00 0.00 179.97 179.62 2uuu h GLU 100 N -0.17 1.03 -0.72 0.20 5.08 -1.37 -2.69 114.58 115.93 2uuu h GLU 100 Ca 0.10 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2uuu h GLU 100 Cb 0.32 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2uuu h GLU 100 CO -0.26 0.84 0.44 1.25 -1.00 0.00 0.00 179.01 180.27 2uuu h LEU 101 N 0.98 0.69 -2.19 1.33 5.85 -1.14 -2.47 115.31 118.36 2uuu h LEU 101 Ca 0.23 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2uuu h LEU 101 Cb 0.18 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 2uuu h LEU 101 CO -0.02 0.46 -0.06 0.11 -0.34 0.00 0.00 178.44 178.59 2uuu h LYS 102 N 0.83 0.00 0.00 1.25 1.57 -0.82 0.18 116.57 119.58 2uuu h LYS 102 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 2uuu h LYS 102 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2uuu h LYS 102 CO -0.14 0.06 -0.12 0.00 -0.57 0.00 0.00 179.45 178.68 2uuu h ALA 103 N 1.94 0.92 0.00 3.86 0.00 -1.33 -3.35 119.26 121.30 2uuu h ALA 103 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2uuu h ALA 103 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2uuu h ALA 103 CO 0.01 0.00 -1.48 1.19 0.00 0.00 0.00 179.25 178.97 2uuu n PHE 104 N -2.35 0.00 -4.32 0.00 3.72 -0.59 -5.05 117.46 108.86 2uuu n PHE 104 Ca 0.05 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.18 2uuu n PHE 104 Cb 0.45 -0.27 -0.10 0.00 -0.94 0.00 0.00 39.48 38.62 2uuu n PHE 104 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2uuu s PHE 105 N -2.57 2.54 0.57 1.38 0.40 -0.05 -5.12 117.98 115.13 2uuu s PHE 105 Ca -0.04 -0.26 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 2uuu s PHE 105 Cb 0.05 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.28 2uuu s PHE 105 CO 0.39 0.50 1.01 -0.51 0.70 0.00 0.00 175.22 177.32 2uuu s LEU 106 N -2.74 3.42 0.21 -0.37 1.43 -1.26 -4.71 118.68 114.65 2uuu s LEU 106 Ca 0.23 1.52 -0.16 0.00 -1.03 0.00 0.00 54.13 54.69 2uuu s LEU 106 Cb -0.09 -4.49 0.20 0.00 0.03 0.00 0.00 46.19 41.84 2uuu s LEU 106 CO 0.13 -0.79 1.60 -0.65 0.23 0.00 0.00 176.35 176.88 2uuu h PRO 107 N 0.27 -0.08 0.00 1.29 0.11 -1.94 -0.75 132.00 130.91 2uuu h PRO 107 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2uuu h PRO 107 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2uuu h PRO 107 CO 0.61 -0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 177.95 2uuu n ASP 108 N -5.45 0.00 0.01 -2.05 5.68 -1.26 -2.18 116.55 111.30 2uuu n ASP 108 Ca 0.07 -0.55 0.12 0.00 -0.50 0.00 0.00 54.79 53.92 2uuu n ASP 108 Cb 0.36 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.53 2uuu n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2uuu n GLN 109 N -0.97 0.09 -4.05 0.11 6.02 -0.29 -4.81 117.38 113.49 2uuu n GLN 109 Ca 0.12 0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.79 2uuu n GLN 109 Cb 0.05 -1.55 -0.15 0.00 1.02 0.00 0.00 30.24 29.62 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 -3.34 2.46 -0.06 1.08 1.43 -0.93 -1.09 118.68 118.24 2uuu s LEU 110 Ca 0.09 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2uuu s LEU 110 Cb 0.16 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.82 2uuu s LEU 110 CO 0.72 -0.02 -0.16 -0.54 0.23 0.00 0.00 176.35 176.58 2uuu s LYS 111 N 1.34 1.89 -0.03 1.70 -0.14 -0.31 -4.99 119.74 119.20 2uuu s LYS 111 Ca 0.05 -0.57 0.09 0.00 -1.36 0.00 0.00 55.97 54.17 2uuu s LYS 111 Cb -0.14 -1.58 0.15 0.00 -1.68 0.00 0.00 37.83 34.59 2uuu s LYS 111 CO -0.09 0.16 1.07 -0.40 -0.76 0.00 0.00 175.35 175.33 2uuu n ASP 112 N 3.41 0.64 -4.85 2.83 3.85 -1.26 -0.71 116.55 120.46 2uuu n ASP 112 Ca -0.20 -2.26 -0.30 0.00 -0.71 0.00 0.00 54.79 51.32 2uuu n ASP 112 Cb 0.53 -0.27 0.07 0.00 -1.35 0.00 0.00 41.12 40.09 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 -1.59 5.04 0.16 -1.12 -4.77 -1.26 -4.82 116.67 108.30 2uuu s ASP 113 Ca 0.14 1.21 -0.15 0.00 -3.30 0.00 0.00 52.55 50.44 2uuu s ASP 113 Cb 0.14 -1.98 0.06 0.00 -1.09 0.00 0.00 42.92 40.05 2uuu s ASP 113 CO -0.03 -1.61 1.80 0.50 0.70 0.00 0.00 175.17 176.52 2uuu h LYS 114 N -0.84 0.47 0.17 2.11 3.64 -1.99 -1.24 116.57 118.89 2uuu h LYS 114 Ca -0.46 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2uuu h LYS 114 Cb 1.26 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2uuu h LYS 114 CO 0.62 0.31 -0.28 1.25 -2.27 0.00 0.00 179.45 179.08 2uuu h LEU 115 N 0.49 -0.78 -0.94 5.20 5.85 -1.99 -0.12 115.31 123.02 2uuu h LEU 115 Ca 0.17 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.12 2uuu h LEU 115 Cb 0.03 0.29 -0.09 0.00 0.37 0.00 0.00 40.66 41.25 2uuu h LEU 115 CO -0.09 -0.38 0.55 0.00 -0.34 0.00 0.00 178.44 178.18 2uuu h ALA 116 N 0.16 1.45 -0.24 1.25 0.00 -1.86 -1.39 119.26 118.62 2uuu h ALA 116 Ca 0.02 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2uuu h ALA 116 Cb 0.53 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2uuu h ALA 116 CO -0.13 0.04 -0.34 0.00 0.00 0.00 0.00 179.25 178.82 2uuu h ARG 117 N 0.79 0.66 -0.48 0.00 3.08 -0.83 -2.63 114.38 114.98 2uuu h ARG 117 Ca 0.50 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 2uuu h ARG 117 Cb 0.64 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2uuu h ARG 117 CO -0.33 1.00 0.08 0.82 -1.07 0.00 0.00 179.97 180.47 2uuu h ILE 118 N 0.37 1.25 0.00 2.04 2.04 -0.87 -2.74 117.51 119.60 2uuu h ILE 118 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2uuu h ILE 118 Cb 0.92 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2uuu h ILE 118 CO 0.08 0.32 0.00 0.35 0.00 0.00 0.00 178.15 178.90 2uuu n THR 119 N -4.44 0.49 -1.46 -0.27 -2.24 -0.54 -2.48 114.28 103.34 2uuu n THR 119 Ca 0.01 0.12 0.02 0.00 -2.27 0.00 0.00 64.05 61.93 2uuu n THR 119 Cb 0.25 -0.78 0.20 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.38 0.49 -0.04 4.78 8.25 -1.00 -4.62 115.22 121.71 2uuu n HIS 120 Ca 0.08 -1.47 -0.09 0.00 -0.26 0.00 0.00 57.72 55.98 2uuu n HIS 120 Cb 0.20 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.12 0.49 -4.43 1.59 -1.04 -1.04 -4.55 114.28 104.18 2uuu n THR 121 Ca 0.25 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.82 2uuu n THR 121 Cb 0.84 -1.62 -0.10 0.00 -1.82 0.00 0.00 70.33 67.63 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 -2.16 3.09 0.00 -1.42 0.40 -1.24 -3.73 117.98 112.92 2uuu s PHE 122 Ca -0.11 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2uuu s PHE 122 Cb 0.04 -1.75 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2uuu s PHE 122 CO 0.14 0.43 0.00 0.41 0.70 0.00 0.00 175.22 176.91 2uuu n GLY 123 N 2.08 1.19 0.67 4.36 0.00 -1.26 -4.94 105.19 107.29 2uuu n GLY 123 Ca -0.18 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.63 1.61 4.76 -0.81 -4.67 118.16 118.87 2uuu n LYS 124 Ca 0.00 -3.20 -0.30 0.00 -2.87 0.00 0.00 58.31 51.94 2uuu n LYS 124 Cb 0.00 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 31.77 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 -3.14 4.99 0.14 4.39 1.04 -1.26 -4.86 113.70 115.01 2uuu s SER 125 Ca 0.38 1.37 -0.19 0.00 0.48 0.00 0.00 55.95 57.99 2uuu s SER 125 Cb 0.37 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2uuu s SER 125 CO -0.08 -1.66 1.72 0.25 0.98 0.00 0.00 173.24 174.46 2uuu h LEU 126 N -0.87 -0.05 -0.91 2.42 5.85 -1.91 -0.36 115.31 119.48 2uuu h LEU 126 Ca -0.46 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.40 2uuu h LEU 126 Cb 1.25 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 2uuu h LEU 126 CO 0.60 0.01 0.55 -0.09 -0.34 0.00 0.00 178.44 179.17 2uuu h ARG 127 N 0.11 0.92 -0.32 1.25 2.43 -1.96 -0.23 114.38 116.58 2uuu h ARG 127 Ca 0.12 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2uuu h ARG 127 Cb 0.14 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2uuu h ARG 127 CO -0.18 0.61 0.16 -0.44 -1.51 0.00 0.00 179.97 178.61 2uuu h ASP 128 N 0.95 0.41 -0.50 -3.80 3.32 -1.72 -2.29 116.42 112.79 2uuu h ASP 128 Ca 0.42 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.25 2uuu h ASP 128 Cb 0.31 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2uuu h ASP 128 CO -0.22 0.41 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.55 2uuu h LEU 129 N 0.38 0.94 -0.24 1.55 3.38 -0.40 -2.18 115.31 118.74 2uuu h LEU 129 Ca 0.11 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2uuu h LEU 129 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2uuu h LEU 129 CO -0.01 1.07 0.12 0.40 0.09 0.00 0.00 178.44 180.11 2uuu h ILE 130 N 0.80 1.00 -0.20 1.22 1.08 -1.04 -1.66 117.51 118.70 2uuu h ILE 130 Ca 0.13 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.49 2uuu h ILE 130 Cb 0.64 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2uuu h ILE 130 CO 0.04 0.05 0.04 0.03 -0.69 0.00 0.00 178.15 177.62 2uuu h ARG 131 N 0.26 0.33 -0.36 2.37 3.08 -1.31 -2.69 114.38 116.07 2uuu h ARG 131 Ca 0.10 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 2uuu h ARG 131 Cb 0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2uuu h ARG 131 CO -0.07 0.47 -0.23 -0.24 -1.07 0.00 0.00 179.97 178.84 2uuu h VAL 132 N 0.14 1.27 0.00 2.04 3.04 -1.35 0.11 116.25 121.50 2uuu h VAL 132 Ca 0.06 -1.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.41 2uuu h VAL 132 Cb 0.29 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2uuu h VAL 132 CO 0.00 0.43 -0.11 0.03 -1.01 0.00 0.00 177.57 176.91 2uuu h ARG 133 N 0.62 0.00 -0.55 4.17 3.08 -1.17 -1.96 114.38 118.57 2uuu h ARG 133 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2uuu h ARG 133 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2uuu h ARG 133 CO 0.05 0.11 0.00 0.44 -1.07 0.00 0.00 179.97 179.51 2uuu n ILE 134 N -3.74 0.87 -1.18 2.04 -5.35 -1.03 -1.31 119.36 109.65 2uuu n ILE 134 Ca -0.02 -0.93 -0.05 0.00 -0.27 0.00 0.00 62.75 61.48 2uuu n ILE 134 Cb 0.22 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.33 0.74 3.48 3.28 0.00 -0.74 -4.98 105.19 108.30 2uuu n GLY 135 Ca 0.20 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.49 3.68 -0.55 1.61 0.74 -0.02 -4.51 119.66 118.12 2uuu s GLN 136 Ca 0.00 -1.75 0.02 0.00 0.05 0.00 0.00 55.36 53.68 2uuu s GLN 136 Cb 0.00 -5.06 0.14 0.00 1.10 0.00 0.00 33.01 29.19 2uuu s GLN 136 CO 0.00 -1.89 0.32 0.08 -0.55 0.00 0.00 175.29 173.25 2uuu s VAL 137 N 3.09 2.90 -0.08 1.34 1.01 -1.26 -4.52 120.40 122.88 2uuu s VAL 137 Ca 0.38 -3.26 0.08 0.00 0.00 0.00 0.00 61.98 59.18 2uuu s VAL 137 Cb -0.03 -2.97 -0.24 0.00 0.00 0.00 0.00 36.38 33.14 2uuu s VAL 137 CO -0.07 -0.83 0.50 0.29 0.00 0.00 0.00 175.10 174.99 2uuu n LYS 138 N 3.17 0.67 -3.58 2.72 5.02 -1.26 -4.62 118.16 120.28 2uuu n LYS 138 Ca 0.06 0.25 -0.27 0.00 -2.02 0.00 0.00 58.31 56.33 2uuu n LYS 138 Cb 0.34 -1.74 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 2uuu n LYS 138 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2uuu s ASN 139 N -6.27 2.68 0.42 4.39 0.01 -1.26 -4.98 114.94 109.92 2uuu s ASN 139 Ca -0.10 -3.31 -0.13 0.00 -0.71 0.00 0.00 52.86 48.61 2uuu s ASN 139 Cb 0.07 -0.86 -0.07 0.00 0.41 0.00 0.00 41.25 40.80 2uuu s ASN 139 CO 0.80 -0.15 0.82 0.00 -1.51 0.00 0.00 177.10 177.07 2uuu s ALA 140 N -0.43 3.27 0.84 0.60 0.00 -1.26 -4.22 121.76 120.55 2uuu s ALA 140 Ca 0.29 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 52.08 2uuu s ALA 140 Cb -0.00 -2.82 0.10 0.00 0.00 0.00 0.00 23.12 20.40 2uuu s ALA 140 CO -0.18 -0.02 1.10 -1.25 0.00 0.00 0.00 175.76 175.42 2uuu s PRO 141 N -3.79 1.72 0.27 0.00 0.04 -1.26 -4.95 135.00 127.03 2uuu s PRO 141 Ca 0.54 1.22 0.22 0.00 0.04 0.00 0.00 61.00 63.02 2uuu s PRO 141 Cb -0.10 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2uuu s PRO 141 CO 0.29 -2.04 1.23 -0.44 0.04 0.00 0.00 177.00 176.09 2uuu h ASP 142 N -1.42 0.00 -4.64 6.66 3.32 -1.17 -3.47 116.42 115.70 2uuu h ASP 142 Ca -0.45 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 2uuu h ASP 142 Cb 1.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 2uuu h ASP 142 CO 0.49 0.08 0.20 -0.22 -1.72 0.00 0.00 179.24 178.07 2uuu s LEU 143 N -5.74 -0.67 -0.12 1.55 2.96 -1.09 -4.78 118.68 110.79 2uuu s LEU 143 Ca 0.02 0.91 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 2uuu s LEU 143 Cb 0.08 2.47 -0.01 0.00 0.50 0.00 0.00 46.19 49.23 2uuu s LEU 143 CO 0.75 -0.49 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.49 2uuu s ILE 144 N -0.72 2.61 -0.07 6.68 1.09 0.12 -0.70 121.20 130.20 2uuu s ILE 144 Ca -0.07 -0.81 0.05 0.00 -1.10 0.00 0.00 60.65 58.71 2uuu s ILE 144 Cb -0.02 -2.07 -0.01 0.00 -1.06 0.00 0.00 42.46 39.30 2uuu s ILE 144 CO 0.07 0.54 -0.21 -0.69 -0.10 0.00 0.00 174.94 174.54 2uuu s VAL 145 N 0.45 2.39 -0.53 2.92 1.01 -0.31 -1.16 120.40 125.17 2uuu s VAL 145 Ca -0.13 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2uuu s VAL 145 Cb -0.17 -1.90 0.13 0.00 0.00 0.00 0.00 36.38 34.44 2uuu s VAL 145 CO 0.06 0.57 0.27 -0.76 0.00 0.00 0.00 175.10 175.24 2uuu s LEU 146 N -0.20 4.40 0.60 3.92 1.02 -0.25 -1.52 118.68 126.65 2uuu s LEU 146 Ca -0.02 -3.00 -0.18 0.00 0.02 0.00 0.00 54.13 50.95 2uuu s LEU 146 Cb -0.13 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.39 2uuu s LEU 146 CO 0.03 -0.24 1.15 -2.16 0.02 0.00 0.00 176.35 175.15 2uuu s PRO 147 N -0.27 3.04 0.00 1.29 0.04 -1.26 -4.82 135.00 133.02 2uuu s PRO 147 Ca 0.17 1.61 0.17 0.00 0.04 0.00 0.00 61.00 62.99 2uuu s PRO 147 Cb -0.25 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 2uuu s PRO 147 CO -0.00 -1.10 0.81 0.72 0.04 0.00 0.00 177.00 177.47 2uuu n HIS 148 N -1.76 0.00 -3.57 0.56 8.25 -1.26 -4.16 115.22 113.28 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 -2.32 -0.41 0.22 0.41 1.04 -1.26 -4.75 113.70 106.63 2uuu s SER 149 Ca 0.11 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 2uuu s SER 149 Cb 0.13 0.56 0.32 0.00 0.10 0.00 0.00 66.02 67.13 2uuu s SER 149 CO 0.57 -0.95 1.68 -0.74 0.98 0.00 0.00 173.24 174.78 2uuu h HIS 150 N 2.00 0.08 -0.39 5.02 2.76 -1.96 -1.76 115.15 120.90 2uuu h HIS 150 Ca -0.27 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 57.90 2uuu h HIS 150 Cb 1.27 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.27 2uuu h HIS 150 CO 0.30 -0.11 0.04 0.93 -1.30 0.00 0.00 177.93 177.78 2uuu h GLU 151 N 0.18 0.59 -0.42 5.26 3.07 -1.99 -0.55 114.58 120.72 2uuu h GLU 151 Ca 0.33 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.36 58.93 2uuu h GLU 151 Cb 0.53 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 2uuu h GLU 151 CO -0.48 0.59 -0.29 0.93 -1.40 0.00 0.00 179.01 178.36 2uuu h GLU 152 N 0.57 0.91 -0.50 2.33 5.08 -1.78 -1.78 114.58 119.41 2uuu h GLU 152 Ca 0.13 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.08 2uuu h GLU 152 Cb 0.31 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2uuu h GLU 152 CO 0.01 1.07 0.32 0.28 -1.00 0.00 0.00 179.01 179.69 2uuu h VAL 153 N 0.77 1.11 -0.58 3.13 2.07 -0.76 -0.06 116.25 121.93 2uuu h VAL 153 Ca 0.09 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.47 2uuu h VAL 153 Cb 0.85 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2uuu h VAL 153 CO 0.08 0.12 0.19 -0.33 0.02 0.00 0.00 177.57 177.65 2uuu h GLU 154 N 0.66 0.35 -0.30 1.57 5.08 -1.01 -0.05 114.58 120.87 2uuu h GLU 154 Ca 0.18 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 2uuu h GLU 154 Cb -0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2uuu h GLU 154 CO -0.05 0.23 0.12 -0.09 -1.00 0.00 0.00 179.01 178.22 2uuu h ARG 155 N 0.36 0.44 -0.39 2.33 9.65 -1.06 -1.76 114.38 123.94 2uuu h ARG 155 Ca 0.29 -0.08 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2uuu h ARG 155 Cb 0.37 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 2uuu h ARG 155 CO -0.31 0.46 0.23 1.25 2.80 0.00 0.00 179.97 184.39 2uuu h LEU 156 N 0.33 0.48 -0.45 3.80 5.85 -0.64 -1.13 115.31 123.56 2uuu h LEU 156 Ca 0.10 -0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.65 2uuu h LEU 156 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2uuu h LEU 156 CO -0.01 0.41 -0.11 0.58 -0.34 0.00 0.00 178.44 178.96 2uuu h VAL 157 N 0.51 1.27 -0.51 1.05 2.07 -1.02 0.59 116.25 120.22 2uuu h VAL 157 Ca 0.14 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.46 2uuu h VAL 157 Cb 0.02 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 2uuu h VAL 157 CO -0.03 0.42 0.28 -0.61 0.02 0.00 0.00 177.57 177.66 2uuu h GLN 158 N 0.71 0.54 -0.16 1.57 -0.00 -1.11 -0.28 115.11 116.38 2uuu h GLN 158 Ca 0.11 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 2uuu h GLN 158 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 2uuu h GLN 158 CO 0.05 0.36 0.10 -0.07 0.00 0.00 0.00 178.83 179.27 2uuu h LEU 159 N 0.56 0.19 -0.54 -2.39 3.38 -1.07 -1.52 115.31 113.92 2uuu h LEU 159 Ca 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.16 2uuu h LEU 159 Cb 0.07 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2uuu h LEU 159 CO -0.12 0.16 0.36 0.00 0.09 0.00 0.00 178.44 178.93 2uuu h ALA 160 N 1.03 0.69 -0.32 1.53 0.00 -0.64 -1.57 119.26 119.99 2uuu h ALA 160 Ca 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2uuu h ALA 160 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2uuu h ALA 160 CO -0.01 0.11 0.19 1.25 0.00 0.00 0.00 179.25 180.79 2uuu h HIS 161 N 0.72 0.35 -0.69 0.00 -0.00 -0.98 0.29 115.15 114.85 2uuu h HIS 161 Ca 0.20 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.67 2uuu h HIS 161 Cb -0.06 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 27.16 2uuu h HIS 161 CO -0.04 0.21 0.35 -0.22 -0.00 0.00 0.00 177.93 178.22 2uuu h LYS 162 N 0.39 0.58 -0.12 5.26 3.64 -0.89 -2.89 116.57 122.54 2uuu h LYS 162 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2uuu h LYS 162 Cb -0.00 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2uuu h LYS 162 CO -0.06 0.39 0.00 0.66 -2.27 0.00 0.00 179.45 178.17 2uuu n TYR 163 N -4.86 0.13 -3.49 1.91 4.01 -0.63 -4.98 117.16 109.26 2uuu n TYR 163 Ca 0.10 -0.07 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 2uuu n TYR 163 Cb 0.25 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.00 -4.08 -4.49 7.72 5.15 -0.03 -5.02 115.26 115.52 2uuu n ASN 164 Ca 0.17 -0.79 -0.35 0.00 -0.60 0.00 0.00 54.58 53.01 2uuu n ASN 164 Cb 0.52 -4.52 -0.12 0.00 -0.53 0.00 0.00 39.78 35.12 2uuu n ASN 164 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2uuu s VAL 165 N -3.48 4.13 0.22 3.44 1.01 -0.50 -4.67 120.40 120.55 2uuu s VAL 165 Ca 0.26 -0.26 -0.31 0.00 0.00 0.00 0.00 61.98 61.67 2uuu s VAL 165 Cb -0.06 -2.86 -0.10 0.00 0.00 0.00 0.00 36.38 33.36 2uuu s VAL 165 CO 0.78 0.44 1.52 -0.69 0.00 0.00 0.00 175.10 177.15 2uuu s VAL 166 N 0.84 2.55 -0.06 2.92 1.01 -0.78 -4.67 120.40 122.22 2uuu s VAL 166 Ca 0.01 0.43 0.05 0.00 0.00 0.00 0.00 61.98 62.47 2uuu s VAL 166 Cb -0.14 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2uuu s VAL 166 CO 0.02 0.05 -0.21 0.27 0.00 0.00 0.00 175.10 175.23 2uuu s ILE 167 N 0.50 1.78 -0.22 2.22 -4.36 0.40 -0.53 121.20 121.00 2uuu s ILE 167 Ca 0.65 -0.90 -0.01 0.00 -0.26 0.00 0.00 60.65 60.13 2uuu s ILE 167 Cb -0.44 -1.52 0.06 0.00 1.25 0.00 0.00 42.46 41.81 2uuu s ILE 167 CO 0.39 0.50 -0.02 -0.63 0.24 0.00 0.00 174.94 175.41 2uuu s ILE 168 N 0.01 1.17 0.42 8.37 1.01 -0.17 -1.45 121.20 130.57 2uuu s ILE 168 Ca -0.06 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.39 2uuu s ILE 168 Cb -0.14 -1.51 -0.08 0.00 0.01 0.00 0.00 42.46 40.74 2uuu s ILE 168 CO 0.04 -0.12 1.13 -2.16 0.00 0.00 0.00 174.94 173.82 2uuu s PRO 169 N 1.56 3.97 -0.03 2.79 0.04 -1.26 -1.26 135.00 140.81 2uuu s PRO 169 Ca -0.04 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.72 2uuu s PRO 169 Cb -0.18 -2.52 0.01 0.00 0.04 0.00 0.00 34.50 31.85 2uuu s PRO 169 CO -0.07 -0.35 -0.09 1.41 0.04 0.00 0.00 177.00 177.94 2uuu s MET 170 N -2.53 1.03 0.00 4.56 -2.45 0.39 -4.88 119.30 115.43 2uuu s MET 170 Ca 0.60 -0.30 0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2uuu s MET 170 Cb -0.27 -0.95 0.00 0.00 1.25 0.00 0.00 34.83 34.86 2uuu s MET 170 CO 0.33 0.08 0.00 0.41 1.05 0.00 0.00 175.02 176.89 2uuu n GLY 171 N 3.43 0.37 0.08 2.11 0.00 -1.26 -1.38 105.19 108.53 2uuu n GLY 171 Ca -0.20 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.95 2uuu n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uuu n GLY 172 N 5.00 -1.46 2.41 -0.02 0.00 -1.26 -4.80 105.19 105.06 2uuu n GLY 172 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.81 -0.43 0.18 -0.02 0.00 -1.26 -4.90 105.19 99.57 2uuu n GLY 173 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.97 0.88 -4.70 1.61 3.41 -1.26 -3.33 113.62 108.26 2uuu n SER 174 Ca -0.23 -0.72 -0.37 0.00 -0.26 0.00 0.00 58.87 57.29 2uuu n SER 174 Cb 0.68 0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.86 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 -0.87 1.66 -0.56 4.04 0.23 -1.26 -4.21 115.26 114.29 2uuu n ASN 175 Ca 0.11 0.79 0.09 0.00 -0.53 0.00 0.00 54.58 55.03 2uuu n ASN 175 Cb 0.34 -1.52 0.20 0.00 -2.08 0.00 0.00 39.78 36.73 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 -2.07 2.02 -0.26 1.53 -5.35 -1.26 -1.93 119.36 112.04 2uuu n ILE 176 Ca 0.15 -1.92 0.03 0.00 -0.27 0.00 0.00 62.75 60.74 2uuu n ILE 176 Cb 0.48 -0.17 0.07 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.76 1.21 -1.82 7.28 0.24 -1.26 -4.70 118.33 118.51 2uuu n VAL 177 Ca 0.18 -1.24 -0.11 0.00 -2.04 0.00 0.00 64.34 61.13 2uuu n VAL 177 Cb 0.75 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.45 2uuu n VAL 177 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2uuu n GLY 178 N -0.39 0.50 0.23 7.63 0.00 -1.26 -4.93 105.19 106.97 2uuu n GLY 178 Ca 0.06 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.73 2uuu n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuu h ALA 179 N 0.30 1.17 -0.01 4.61 0.00 -1.94 -2.80 119.26 120.59 2uuu h ALA 179 Ca -0.25 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2uuu h ALA 179 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2uuu h ALA 179 CO 0.33 0.28 -0.56 0.44 0.00 0.00 0.00 179.25 179.74 2uuu n ILE 180 N -3.61 0.00 -2.46 0.00 -5.35 -1.26 -4.97 119.36 101.71 2uuu n ILE 180 Ca -0.01 -0.20 -0.42 0.00 -0.27 0.00 0.00 62.75 61.85 2uuu n ILE 180 Cb 0.36 1.14 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 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 -2.58 4.38 0.50 6.28 2.12 -1.06 -4.81 118.70 123.53 2uuu s GLU 181 Ca 0.17 1.69 -0.23 0.00 0.36 0.00 0.00 54.97 56.96 2uuu s GLU 181 Cb 0.18 -3.50 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 2uuu s GLU 181 CO 0.62 -0.39 1.31 -2.30 -0.54 0.00 0.00 175.26 173.97 2uuu n PRO 182 N 4.85 1.78 -0.09 4.30 -0.02 -1.26 -4.96 135.00 139.59 2uuu n PRO 182 Ca 0.10 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 62.06 2uuu n PRO 182 Cb 0.46 -2.50 -0.08 0.00 -0.02 0.00 0.00 33.50 31.37 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 -0.75 1.04 -3.41 -1.45 0.31 -1.26 -4.84 118.33 107.97 2uuu n VAL 183 Ca 0.09 -0.33 -0.24 0.00 -0.01 0.00 0.00 64.34 63.85 2uuu n VAL 183 Cb 0.43 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.90 2uuu n VAL 183 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2uuu s SER 184 N -6.23 6.30 -0.08 4.52 0.15 -1.26 -4.97 113.70 112.13 2uuu s SER 184 Ca -0.25 0.43 0.11 0.00 0.70 0.00 0.00 55.95 56.94 2uuu s SER 184 Cb 0.08 -2.02 0.21 0.00 -1.71 0.00 0.00 66.02 62.58 2uuu s SER 184 CO 0.37 -0.28 1.13 -0.46 1.20 0.00 0.00 173.24 175.20 2uuu n ASN 185 N -1.76 2.41 0.05 5.45 6.94 -1.26 -4.83 115.26 122.25 2uuu n ASN 185 Ca -0.05 -2.62 -0.20 0.00 -0.02 0.00 0.00 54.58 51.69 2uuu n ASN 185 Cb 0.56 -0.27 -0.12 0.00 -2.36 0.00 0.00 39.78 37.59 2uuu n ASN 185 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2uuu h GLU 186 N 0.30 0.56 -6.17 -3.83 4.22 -2.00 -3.45 114.58 104.21 2uuu h GLU 186 Ca 0.00 -0.67 -0.52 0.00 0.08 0.00 0.00 59.36 58.25 2uuu h GLU 186 Cb 0.84 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2uuu h GLU 186 CO 0.02 1.27 -0.51 1.03 -2.18 0.00 0.00 179.01 178.65 2uuu s ARG 187 N -3.09 3.10 0.28 1.92 0.52 -1.26 -5.07 118.95 115.34 2uuu s ARG 187 Ca -0.11 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 53.92 2uuu s ARG 187 Cb 0.05 -2.71 -0.12 0.00 0.52 0.00 0.00 34.95 32.69 2uuu s ARG 187 CO 0.89 0.45 1.63 0.12 0.02 0.00 0.00 175.30 178.41 2uuu s PHE 188 N -1.94 2.76 -0.03 -0.53 5.36 -1.26 -4.86 117.98 117.47 2uuu s PHE 188 Ca 0.33 0.67 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 2uuu s PHE 188 Cb -0.09 -4.10 -0.01 0.00 -0.34 0.00 0.00 43.02 38.47 2uuu s PHE 188 CO 0.26 -3.82 -0.19 -0.08 -1.46 0.00 0.00 175.22 169.93 2uuu s THR 189 N 0.23 1.55 -0.15 0.12 -1.32 -1.26 -1.86 115.64 112.95 2uuu s THR 189 Ca 0.66 -0.82 0.01 0.00 -1.21 0.00 0.00 61.69 60.33 2uuu s THR 189 Cb -0.49 -1.31 -0.00 0.00 -1.51 0.00 0.00 72.50 69.19 2uuu s THR 189 CO 0.45 0.44 -0.16 -0.69 -2.21 0.00 0.00 174.62 172.46 2uuu s VAL 190 N -0.26 2.66 -0.27 5.08 1.01 0.31 -0.48 120.40 128.45 2uuu s VAL 190 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2uuu s VAL 190 Cb -0.09 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 2uuu s VAL 190 CO 0.01 0.52 0.60 -0.55 0.00 0.00 0.00 175.10 175.68 2uuu s SER 191 N 0.70 6.52 -0.60 3.32 0.15 0.12 -1.00 113.70 122.92 2uuu s SER 191 Ca -0.07 0.59 -0.19 0.00 0.70 0.00 0.00 55.95 56.98 2uuu s SER 191 Cb -0.16 -2.32 0.11 0.00 -1.71 0.00 0.00 66.02 61.94 2uuu s SER 191 CO 0.02 -0.38 0.70 -0.63 1.20 0.00 0.00 173.24 174.14 2uuu s ILE 192 N 2.49 4.87 -0.42 6.45 1.01 -0.39 -1.16 121.20 134.05 2uuu s ILE 192 Ca 0.25 -1.08 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 2uuu s ILE 192 Cb -0.15 -4.49 0.02 0.00 0.01 0.00 0.00 42.46 37.85 2uuu s ILE 192 CO 0.10 -1.11 0.95 -0.62 0.00 0.00 0.00 174.94 174.25 2uuu s ASP 193 N 3.60 6.60 0.00 3.58 -1.08 -0.58 -0.46 116.67 128.34 2uuu s ASP 193 Ca 0.11 0.39 0.32 0.00 -0.52 0.00 0.00 52.55 52.85 2uuu s ASP 193 Cb -0.24 -2.47 1.87 0.00 -1.46 0.00 0.00 42.92 40.62 2uuu s ASP 193 CO 0.05 -0.98 2.21 0.23 0.52 0.00 0.00 175.17 177.20 2uuu n MET 194 N 7.05 0.96 0.02 4.34 2.81 -0.48 -4.15 117.12 127.67 2uuu n MET 194 Ca 0.07 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.08 2uuu n MET 194 Cb 0.48 -1.50 0.50 0.00 -0.71 0.00 0.00 33.22 31.99 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 -1.02 0.04 0.19 0.03 1.74 -1.26 -1.08 116.66 115.30 2uuu n ARG 195 Ca 0.23 0.12 0.14 0.00 -0.77 0.00 0.00 57.85 57.57 2uuu n ARG 195 Cb 0.12 -1.55 0.48 0.00 -1.02 0.00 0.00 32.46 30.48 2uuu n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2uuu h ARG 196 N 0.00 0.00 -4.19 5.56 3.08 -1.80 -3.38 114.38 113.64 2uuu h ARG 196 Ca 0.00 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.29 2uuu h ARG 196 Cb 0.44 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.26 2uuu h ARG 196 CO 0.00 0.00 0.69 -1.64 -1.07 0.00 0.00 179.97 177.95 2uuu s MET 197 N -3.38 3.95 -0.10 0.04 -1.94 -0.24 -4.78 119.30 112.85 2uuu s MET 197 Ca 0.05 -2.64 0.20 0.00 -1.71 0.00 0.00 55.69 51.59 2uuu s MET 197 Cb 0.09 -4.73 0.43 0.00 2.01 0.00 0.00 34.83 32.63 2uuu s MET 197 CO 0.54 -1.48 1.18 0.27 -0.01 0.00 0.00 175.02 175.52 2uuu n ASN 198 N 4.42 1.42 -4.77 3.03 6.94 -1.26 -1.67 115.26 123.36 2uuu n ASN 198 Ca 0.25 -2.69 -0.36 0.00 -0.02 0.00 0.00 54.58 51.77 2uuu n ASN 198 Cb 0.43 -0.39 -0.08 0.00 -2.36 0.00 0.00 39.78 37.39 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 -1.44 3.25 -0.22 -3.83 1.02 -1.26 -4.68 119.74 112.58 2uuu s LYS 199 Ca 0.35 -0.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.78 2uuu s LYS 199 Cb 0.38 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 2uuu s LYS 199 CO -0.12 0.71 1.31 0.08 -0.92 0.00 0.00 175.35 176.42 2uuu s VAL 200 N -0.88 4.16 0.06 3.17 1.01 -1.26 -1.40 120.40 125.27 2uuu s VAL 200 Ca 0.13 1.37 -0.14 0.00 0.00 0.00 0.00 61.98 63.34 2uuu s VAL 200 Cb -0.12 -4.03 -0.28 0.00 0.00 0.00 0.00 36.38 31.96 2uuu s VAL 200 CO 0.03 -0.28 1.13 -0.07 0.00 0.00 0.00 175.10 175.91 2uuu h LEU 201 N 10.34 0.86 -7.00 3.92 3.38 -0.51 -3.48 115.31 122.81 2uuu h LEU 201 Ca -0.27 -0.77 0.01 0.00 0.09 0.00 0.00 57.88 56.94 2uuu h LEU 201 Cb 1.11 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.45 2uuu h LEU 201 CO 1.00 1.58 0.29 -1.66 0.09 0.00 0.00 178.44 179.74 2uuu s TRP 202 N -3.03 -0.50 -0.04 1.13 1.48 -1.09 -4.98 118.94 111.92 2uuu s TRP 202 Ca -0.09 0.37 0.03 0.00 -1.06 0.00 0.00 56.10 55.35 2uuu s TRP 202 Cb 0.06 0.54 0.00 0.00 -1.16 0.00 0.00 33.47 32.91 2uuu s TRP 202 CO 0.93 -0.74 -0.14 0.08 -4.06 0.00 0.00 176.95 173.02 2uuu s VAL 203 N -3.32 1.18 -0.36 -0.66 1.01 -1.26 -1.04 120.40 115.95 2uuu s VAL 203 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2uuu s VAL 203 Cb -0.01 -1.03 0.10 0.00 0.00 0.00 0.00 36.38 35.44 2uuu s VAL 203 CO -0.10 0.35 0.09 -0.62 0.00 0.00 0.00 175.10 174.82 2uuu s ASP 204 N 0.15 4.88 0.28 3.32 -1.08 0.71 -4.97 116.67 119.97 2uuu s ASP 204 Ca -0.05 -2.12 0.25 0.00 -0.52 0.00 0.00 52.55 50.11 2uuu s ASP 204 Cb -0.11 -1.68 0.95 0.00 -1.46 0.00 0.00 42.92 40.63 2uuu s ASP 204 CO 0.02 -0.42 1.75 0.03 0.52 0.00 0.00 175.17 177.07 2uuu h ARG 205 N 7.72 0.00 0.03 4.34 3.08 -1.95 0.22 114.38 127.82 2uuu h ARG 205 Ca -0.06 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 2uuu h ARG 205 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.08 2uuu h ARG 205 CO 0.56 0.00 -0.02 0.00 -1.07 0.00 0.00 179.97 179.45 2uuu h ARG 206 N 0.00 -0.04 0.00 0.04 3.08 -1.95 -3.29 114.38 112.22 2uuu h ARG 206 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2uuu h ARG 206 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2uuu h ARG 206 CO 0.00 0.65 0.00 0.93 -1.07 0.00 0.00 179.97 180.48 2uuu h GLU 207 N -0.86 0.00 -5.92 0.04 4.39 -1.99 -3.47 114.58 106.77 2uuu h GLU 207 Ca -0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.32 2uuu h GLU 207 Cb 0.71 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.47 2uuu h GLU 207 CO 0.01 0.00 -0.84 -1.33 -1.16 0.00 0.00 179.01 175.68 2uuu n MET 208 N -2.57 -4.15 -4.24 2.33 2.81 0.72 -4.94 117.12 107.08 2uuu n MET 208 Ca 0.03 0.68 -0.14 0.00 -1.81 0.00 0.00 57.70 56.46 2uuu n MET 208 Cb 0.36 -5.25 -0.10 0.00 -0.71 0.00 0.00 33.22 27.51 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 -3.54 1.01 -0.04 2.03 -4.23 -0.81 -1.16 115.64 108.90 2uuu s THR 209 Ca 0.16 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.61 2uuu s THR 209 Cb -0.04 -1.89 0.01 0.00 1.34 0.00 0.00 72.50 71.93 2uuu s THR 209 CO 0.79 -0.71 0.10 0.00 -0.54 0.00 0.00 174.62 174.27 2uuu s ALA 210 N -3.43 -0.25 -0.28 3.99 0.00 -0.14 -0.21 121.76 121.45 2uuu s ALA 210 Ca 0.18 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.33 2uuu s ALA 210 Cb 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.93 2uuu s ALA 210 CO 0.01 -0.05 0.18 0.00 0.00 0.00 0.00 175.76 175.90 2uuu s ILE 212 N 1.73 1.18 0.09 0.00 1.01 -0.10 0.30 121.20 125.41 2uuu s ILE 212 Ca 0.07 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 2uuu s ILE 212 Cb -0.16 -1.04 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 2uuu s ILE 212 CO 0.10 0.35 1.47 -1.10 0.00 0.00 0.00 174.94 175.77 2uuu s GLN 213 N 0.23 4.27 0.00 2.79 -0.21 -0.49 -0.66 119.66 125.59 2uuu s GLN 213 Ca -0.06 2.15 0.30 0.00 0.02 0.00 0.00 55.36 57.77 2uuu s GLN 213 Cb -0.12 -3.36 1.48 0.00 1.00 0.00 0.00 33.01 32.01 2uuu s GLN 213 CO 0.02 -0.55 2.01 1.33 -2.12 0.00 0.00 175.29 175.99 2uuu n VAL 214 N 4.24 0.00 0.85 1.09 0.24 -0.56 -2.71 118.33 121.49 2uuu n VAL 214 Ca 0.13 -0.02 0.11 0.00 -2.04 0.00 0.00 64.34 62.51 2uuu n VAL 214 Cb 0.42 -0.35 0.49 0.00 -1.47 0.00 0.00 33.84 32.93 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 1.24 -1.15 3.75 7.63 0.00 -0.67 0.30 105.19 116.28 2uuu n GLY 215 Ca 0.16 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2uuu n GLY 215 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2uuu n ILE 216 N -1.42 1.61 -3.08 -0.61 3.06 -1.10 -4.37 119.36 113.45 2uuu n ILE 216 Ca 0.07 -0.40 -0.32 0.00 -2.50 0.00 0.00 62.75 59.60 2uuu n ILE 216 Cb 0.22 -1.88 -0.06 0.00 0.54 0.00 0.00 39.64 38.46 2uuu n ILE 216 CO 0.00 0.00 0.00 -0.04 -2.50 0.00 0.00 176.55 174.01 2uuu s MET 217 N -1.43 3.97 0.15 9.51 -1.94 -1.26 -2.48 119.30 125.82 2uuu s MET 217 Ca 0.58 0.65 -0.28 0.00 -1.71 0.00 0.00 55.69 54.93 2uuu s MET 217 Cb -0.51 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 33.91 2uuu s MET 217 CO 0.58 0.12 1.57 0.78 -0.01 0.00 0.00 175.02 178.05 2uuu h GLY 218 N 2.08 -0.62 1.48 -0.03 0.00 -1.28 0.03 103.07 104.72 2uuu h GLY 218 Ca -0.48 0.58 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 2uuu h GLY 218 CO 0.65 -0.16 -0.02 -2.55 0.00 0.00 0.00 176.54 174.45 2uuu h PRO 219 N -0.32 0.64 -0.43 4.80 0.11 -1.80 -2.14 132.00 132.86 2uuu h PRO 219 Ca 0.14 -0.16 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2uuu h PRO 219 Cb 0.58 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2uuu h PRO 219 CO -0.61 0.68 0.23 1.49 -0.21 0.00 0.00 178.00 179.58 2uuu h GLU 220 N 0.60 0.60 0.17 1.05 4.57 -1.72 -1.10 114.58 118.75 2uuu h GLU 220 Ca 0.12 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2uuu h GLU 220 Cb 0.41 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 2uuu h GLU 220 CO 0.02 0.48 -0.31 1.25 -1.18 0.00 0.00 179.01 179.27 2uuu h LEU 221 N 0.56 -0.87 -1.16 1.64 6.46 -0.53 -1.03 115.31 120.37 2uuu h LEU 221 Ca 0.15 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 2uuu h LEU 221 Cb 0.06 0.32 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2uuu h LEU 221 CO -0.02 -0.41 0.02 -0.33 -0.62 0.00 0.00 178.44 177.08 2uuu h GLU 222 N -0.56 0.60 -0.09 1.25 4.39 -1.31 -0.90 114.58 117.96 2uuu h GLU 222 Ca 0.02 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2uuu h GLU 222 Cb 0.57 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2uuu h GLU 222 CO -0.15 0.61 0.05 -0.22 -1.16 0.00 0.00 179.01 178.14 2uuu h LYS 223 N 0.58 0.13 -0.49 2.33 3.64 -0.94 -0.39 116.57 121.43 2uuu h LYS 223 Ca 0.12 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.36 2uuu h LYS 223 Cb 0.34 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2uuu h LYS 223 CO 0.01 0.19 -0.18 1.96 -2.27 0.00 0.00 179.45 179.16 2uuu h GLN 224 N 0.04 1.00 -0.66 1.90 1.08 -1.03 -2.83 115.11 114.60 2uuu h GLN 224 Ca 0.03 -0.41 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 2uuu h GLN 224 Cb 0.10 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 2uuu h GLN 224 CO -0.00 1.09 0.35 -0.07 -0.95 0.00 0.00 178.83 179.25 2uuu h LEU 225 N 0.85 0.83 -1.10 1.46 3.38 -1.13 -3.12 115.31 116.49 2uuu h LEU 225 Ca 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2uuu h LEU 225 Cb 0.76 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 2uuu h LEU 225 CO 0.06 0.70 0.61 -0.74 0.09 0.00 0.00 178.44 179.16 2uuu h HIS 226 N 0.90 1.15 -0.78 1.13 2.76 -0.77 -0.38 115.15 119.17 2uuu h HIS 226 Ca 0.23 0.03 0.18 0.00 -2.20 0.00 0.00 60.37 58.61 2uuu h HIS 226 Cb 0.06 -0.39 -0.05 0.00 1.55 0.00 0.00 27.41 28.58 2uuu h HIS 226 CO -0.00 0.72 0.53 0.87 -1.30 0.00 0.00 177.93 178.74 2uuu h LYS 227 N 1.24 0.30 -0.64 5.26 1.57 -1.44 0.63 116.57 123.49 2uuu h LYS 227 Ca 0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2uuu h LYS 227 Cb -0.12 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.12 2uuu h LYS 227 CO -0.08 0.20 0.00 1.04 -0.57 0.00 0.00 179.45 180.04 2uuu n GLN 228 N -4.45 3.93 -1.03 3.15 6.02 -0.22 -4.95 117.38 119.84 2uuu n GLN 228 Ca 0.16 -2.94 -0.01 0.00 -0.01 0.00 0.00 57.00 54.19 2uuu n GLN 228 Cb 0.64 -1.96 -0.00 0.00 1.02 0.00 0.00 30.24 29.94 2uuu n GLN 228 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2uuu n GLY 229 N 1.04 0.48 3.44 1.08 0.00 0.21 -5.00 105.19 106.44 2uuu n GLY 229 Ca 0.26 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.01 0.51 -0.00 1.61 -7.23 -0.79 -1.82 120.40 110.67 2uuu s VAL 230 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 2uuu s VAL 230 Cb 0.00 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.53 2uuu s VAL 230 CO 0.00 0.00 0.39 -0.55 -0.31 0.00 0.00 175.10 174.63 2uuu s SER 231 N -3.51 -0.28 -0.17 4.85 0.15 0.78 -2.53 113.70 112.98 2uuu s SER 231 Ca 0.30 0.15 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 2uuu s SER 231 Cb 0.04 0.38 -0.12 0.00 -1.71 0.00 0.00 66.02 64.61 2uuu s SER 231 CO 0.17 -0.53 0.08 0.25 1.20 0.00 0.00 173.24 174.40 2uuu h LEU 232 N 3.49 0.00 0.00 3.45 5.85 -1.87 0.00 115.31 126.24 2uuu h LEU 232 Ca -0.30 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.12 2uuu h LEU 232 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2uuu h LEU 232 CO 0.41 1.09 0.00 0.61 -0.34 0.00 0.00 178.44 180.21 2uuu n GLY 233 N 1.55 0.78 3.68 3.75 0.00 -1.26 -4.79 105.19 108.89 2uuu n GLY 233 Ca -0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 3.44 -0.40 1.61 5.04 -1.26 -4.48 115.29 117.24 2uuu s HIS 234 Ca 0.00 1.33 0.09 0.00 -1.54 0.00 0.00 55.06 54.94 2uuu s HIS 234 Cb 0.00 -3.05 0.28 0.00 0.04 0.00 0.00 32.58 29.85 2uuu s HIS 234 CO 0.00 -0.23 0.59 -3.47 -2.34 0.00 0.00 174.74 169.29 2uuu n ASP 235 N 5.17 0.56 -4.75 9.88 2.03 -1.26 -4.98 116.55 123.20 2uuu n ASP 235 Ca 0.05 -2.82 -0.31 0.00 0.52 0.00 0.00 54.79 52.23 2uuu n ASP 235 Cb 0.49 -0.63 0.10 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.62 2.17 0.62 -0.67 0.04 -1.24 -1.82 135.00 132.49 2uuu s PRO 236 Ca 0.37 1.27 0.40 0.00 0.04 0.00 0.00 61.00 63.07 2uuu s PRO 236 Cb 0.22 -1.88 2.06 0.00 0.04 0.00 0.00 34.50 34.94 2uuu s PRO 236 CO -0.10 -1.72 2.25 -0.44 0.04 0.00 0.00 177.00 177.03 2uuu h ASP 237 N -1.04 0.00 -0.36 6.66 3.32 -1.98 -0.78 116.42 122.25 2uuu h ASP 237 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2uuu h ASP 237 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2uuu h ASP 237 CO 0.50 0.01 0.00 -1.54 -1.72 0.00 0.00 179.24 176.49 2uuu n SER 238 N -3.17 2.24 -0.32 6.45 3.41 -1.26 -4.60 113.62 116.36 2uuu n SER 238 Ca -0.02 -2.09 0.16 0.00 -0.26 0.00 0.00 58.87 56.67 2uuu n SER 238 Cb 0.14 -0.31 0.33 0.00 -0.26 0.00 0.00 64.21 64.11 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 2.13 0.21 0.00 7.33 3.57 -1.48 -1.65 116.94 127.05 2uuu h PHE 239 Ca 0.00 0.06 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 2uuu h PHE 239 Cb 0.63 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2uuu h PHE 239 CO 0.30 -0.36 -0.25 0.93 -2.23 0.00 0.00 178.31 176.71 2uuu h GLU 240 N 0.07 0.00 -0.32 1.11 5.08 -1.85 -3.25 114.58 115.42 2uuu h GLU 240 Ca 0.61 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.72 2uuu h GLU 240 Cb 1.32 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.26 2uuu h GLU 240 CO -0.81 0.25 -0.87 1.19 -1.00 0.00 0.00 179.01 177.77 2uuu n PHE 241 N -4.17 1.10 -4.39 4.33 3.72 -0.66 -4.56 117.46 112.83 2uuu n PHE 241 Ca -0.02 -1.65 -0.19 0.00 -0.05 0.00 0.00 57.45 55.54 2uuu n PHE 241 Cb 0.30 -0.25 -0.10 0.00 -0.94 0.00 0.00 39.48 38.49 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 -3.22 1.92 0.26 4.37 1.04 -0.95 -4.47 113.70 112.66 2uuu s SER 242 Ca 0.38 -1.35 0.11 0.00 0.48 0.00 0.00 55.95 55.57 2uuu s SER 242 Cb 0.37 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2uuu s SER 242 CO -0.05 -0.62 -0.15 0.42 0.98 0.00 0.00 173.24 173.81 2uuu s THR 243 N -3.45 2.75 0.21 2.02 -4.23 -1.26 -1.45 115.64 110.22 2uuu s THR 243 Ca 0.35 -2.22 -0.10 0.00 -1.18 0.00 0.00 61.69 58.55 2uuu s THR 243 Cb 0.08 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.62 2uuu s THR 243 CO 0.14 -0.36 1.83 0.25 -0.54 0.00 0.00 174.62 175.94 2uuu h LEU 244 N 2.28 0.63 -0.89 4.79 5.85 -1.44 0.62 115.31 127.14 2uuu h LEU 244 Ca -0.42 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.32 2uuu h LEU 244 Cb 1.25 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2uuu h LEU 244 CO 0.59 0.42 0.58 1.23 -0.34 0.00 0.00 178.44 180.92 2uuu h GLY 245 N 0.76 1.27 0.80 3.75 0.00 -0.44 -1.21 103.07 107.99 2uuu h GLY 245 Ca 0.29 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 47.16 2uuu h GLY 245 CO -0.14 0.47 0.17 -1.33 0.00 0.00 0.00 176.54 175.71 2uuu h GLY 246 N 1.22 0.49 0.98 4.60 0.00 -1.49 -0.87 103.07 108.00 2uuu h GLY 246 Ca 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.55 2uuu h GLY 246 CO -0.07 0.08 0.39 1.49 0.00 0.00 0.00 176.54 178.43 2uuu h TRP 247 N 0.36 0.73 -0.30 5.60 6.55 -0.41 -1.80 115.95 126.67 2uuu h TRP 247 Ca 0.16 0.02 -0.04 0.00 0.95 0.00 0.00 58.89 59.98 2uuu h TRP 247 Cb 0.08 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.12 2uuu h TRP 247 CO -0.11 0.45 0.05 -0.07 -1.05 0.00 0.00 178.44 177.71 2uuu h LEU 248 N 0.79 0.49 -0.94 -4.49 3.38 -1.13 0.49 115.31 113.89 2uuu h LEU 248 Ca 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2uuu h LEU 248 Cb -0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.55 2uuu h LEU 248 CO -0.06 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.10 2uuu h ALA 249 N 0.88 1.00 -0.00 1.53 0.00 -0.94 -1.47 119.26 120.25 2uuu h ALA 249 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2uuu h ALA 249 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2uuu h ALA 249 CO 0.01 0.00 -0.22 0.25 0.00 0.00 0.00 179.25 179.29 2uuu n THR 250 N -2.58 0.00 -4.09 0.00 -2.24 -0.70 -0.45 114.28 104.23 2uuu n THR 250 Ca 0.02 -0.39 -0.28 0.00 -2.27 0.00 0.00 64.05 61.13 2uuu n THR 250 Cb 0.27 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 -4.37 4.53 0.53 0.00 1.04 -0.97 -4.96 113.70 109.51 2uuu s SER 252 Ca 0.01 2.58 -0.18 0.00 0.48 0.00 0.00 55.95 58.84 2uuu s SER 252 Cb -0.00 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.44 2uuu s SER 252 CO 0.93 -2.05 1.03 -0.94 0.98 0.00 0.00 173.24 173.19 2uuu s SER 253 N -1.49 6.24 0.07 7.02 1.04 -1.26 -4.55 113.70 120.76 2uuu s SER 253 Ca 0.81 1.78 0.03 0.00 0.48 0.00 0.00 55.95 59.05 2uuu s SER 253 Cb -0.36 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.19 2uuu s SER 253 CO 0.40 -0.85 -0.09 -0.83 0.98 0.00 0.00 173.24 172.85 2uuu s GLY 254 N -2.57 0.68 0.00 7.32 0.00 -1.26 -3.60 107.32 107.89 2uuu s GLY 254 Ca 0.63 -0.98 0.22 0.00 0.00 0.00 0.00 44.72 44.59 2uuu s GLY 254 CO 0.29 -1.04 1.46 1.42 0.00 0.00 0.00 173.10 175.23 2uuu n HIS 255 N 1.02 0.69 -1.28 1.90 8.25 -0.76 -3.23 115.22 121.80 2uuu n HIS 255 Ca -0.19 -0.34 0.02 0.00 -0.26 0.00 0.00 57.72 56.94 2uuu n HIS 255 Cb 0.56 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.88 2uuu n HIS 255 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2uuu n GLN 256 N 1.38 2.10 0.21 -0.41 6.02 -1.26 -4.56 117.38 120.86 2uuu n GLN 256 Ca 0.21 -3.03 0.06 0.00 -0.01 0.00 0.00 57.00 54.23 2uuu n GLN 256 Cb 0.56 -1.78 0.44 0.00 1.02 0.00 0.00 30.24 30.48 2uuu n GLN 256 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2uuu h SER 257 N 1.14 0.00 0.04 1.08 4.64 -1.76 -0.44 113.55 118.25 2uuu h SER 257 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2uuu h SER 257 Cb 1.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.59 2uuu h SER 257 CO 0.28 0.31 -0.01 0.44 -0.87 0.00 0.00 176.83 176.98 2uuu h ASP 258 N 0.00 0.00 0.00 4.97 3.32 -1.86 0.42 116.42 123.27 2uuu h ASP 258 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.70 2uuu h ASP 258 Cb 0.66 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 2uuu h ASP 258 CO 0.04 0.01 -2.05 1.17 -1.72 0.00 0.00 179.24 176.70 2uuu n LYS 259 N -3.81 0.57 0.00 3.56 3.00 -0.65 -4.77 118.16 116.06 2uuu n LYS 259 Ca -0.03 0.31 0.12 0.00 -0.00 0.00 0.00 58.31 58.71 2uuu n LYS 259 Cb 0.10 -1.53 0.09 0.00 0.00 0.00 0.00 35.03 33.70 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 -4.32 0.00 0.00 5.64 4.01 -0.26 -5.08 117.16 117.14 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 0.78 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.78 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 1.40 0.09 3.85 2.72 0.00 0.13 -4.76 105.19 108.62 2uuu n GLY 261 Ca 0.10 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.89 5.45 0.49 1.61 1.01 -1.26 -4.43 116.67 117.65 2uuu s ASP 262 Ca 0.00 1.36 0.14 0.00 0.71 0.00 0.00 52.55 54.76 2uuu s ASP 262 Cb 0.00 -2.23 1.18 0.00 1.01 0.00 0.00 42.92 42.87 2uuu s ASP 262 CO 0.00 -1.36 2.12 -0.29 0.21 0.00 0.00 175.17 175.85 2uuu h ILE 263 N -0.67 1.01 -0.36 0.77 6.09 -1.93 -0.84 117.51 121.59 2uuu h ILE 263 Ca -0.45 -0.05 -0.09 0.00 -1.37 0.00 0.00 64.86 62.91 2uuu h ILE 263 Cb 1.23 0.87 -0.02 0.00 0.47 0.00 0.00 36.82 39.37 2uuu h ILE 263 CO 0.61 0.02 -0.14 1.05 -3.07 0.00 0.00 178.15 176.62 2uuu h GLU 264 N 0.13 0.64 -0.04 2.19 9.09 -1.93 -1.43 114.58 123.23 2uuu h GLU 264 Ca 0.05 -0.21 -0.17 0.00 0.05 0.00 0.00 59.36 59.08 2uuu h GLU 264 Cb 0.04 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.07 2uuu h GLU 264 CO -0.01 0.75 -0.73 -0.44 0.05 0.00 0.00 179.01 178.63 2uuu h ASP 265 N 0.58 0.29 1.33 3.06 3.32 -1.56 -3.20 116.42 120.25 2uuu h ASP 265 Ca 0.10 -0.20 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 2uuu h ASP 265 Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2uuu h ASP 265 CO 0.04 0.92 -0.20 0.24 -1.72 0.00 0.00 179.24 178.52 2uuu h MET 266 N 0.16 0.00 -6.26 3.56 2.86 -0.75 -3.43 114.93 111.08 2uuu h MET 266 Ca -0.02 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.02 2uuu h MET 266 Cb 1.30 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.86 2uuu h MET 266 CO 0.11 0.20 0.68 0.00 1.06 0.00 0.00 176.91 178.97 2uuu s ALA 267 N -3.38 3.19 -0.10 6.32 0.00 -0.59 0.02 121.76 127.21 2uuu s ALA 267 Ca 0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.95 2uuu s ALA 267 Cb 0.08 -3.74 -0.20 0.00 0.00 0.00 0.00 23.12 19.26 2uuu s ALA 267 CO 0.66 -2.20 0.76 0.28 0.00 0.00 0.00 175.76 175.25 2uuu h VAL 268 N 6.11 1.32 -3.17 0.00 2.07 -1.19 -3.48 116.25 117.91 2uuu h VAL 268 Ca -0.24 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 2uuu h VAL 268 Cb 1.07 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 2uuu h VAL 268 CO 1.07 0.41 0.16 -0.94 0.02 0.00 0.00 177.57 178.29 2uuu s SER 269 N -5.91 -0.07 0.16 0.57 1.04 -1.06 -4.83 113.70 103.60 2uuu s SER 269 Ca -0.15 -0.89 -0.24 0.00 0.48 0.00 0.00 55.95 55.15 2uuu s SER 269 Cb -0.01 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.91 2uuu s SER 269 CO 0.56 -1.43 0.86 0.72 0.98 0.00 0.00 173.24 174.93 2uuu s PHE 270 N -3.35 -0.22 -0.09 5.02 -0.12 -1.26 -0.33 117.98 117.63 2uuu s PHE 270 Ca 0.15 -0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 56.92 2uuu s PHE 270 Cb -0.05 0.63 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 2uuu s PHE 270 CO 0.10 -0.89 0.01 1.03 -0.05 0.00 0.00 175.22 175.42 2uuu s ARG 271 N -3.46 3.06 -0.12 1.99 0.52 -0.51 -3.67 118.95 116.77 2uuu s ARG 271 Ca 0.10 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2uuu s ARG 271 Cb -0.02 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.64 2uuu s ARG 271 CO 0.00 0.68 -0.10 0.99 0.02 0.00 0.00 175.30 176.89 2uuu s THR 272 N -0.80 1.16 -0.20 0.02 2.01 -0.60 -1.67 115.64 115.56 2uuu s THR 272 Ca 0.12 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 2uuu s THR 272 Cb -0.11 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 2uuu s THR 272 CO 0.02 0.39 0.55 -0.69 -0.69 0.00 0.00 174.62 174.20 2uuu s VAL 273 N 1.54 5.08 0.23 3.82 1.01 0.57 0.08 120.40 132.73 2uuu s VAL 273 Ca 0.03 1.02 0.07 0.00 0.00 0.00 0.00 61.98 63.09 2uuu s VAL 273 Cb -0.13 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2uuu s VAL 273 CO -0.07 0.15 -0.10 0.42 0.00 0.00 0.00 175.10 175.50 2uuu s THR 274 N 1.74 1.61 -0.29 3.92 -4.23 -0.90 -0.50 115.64 116.99 2uuu s THR 274 Ca 0.25 -2.16 0.18 0.00 -1.18 0.00 0.00 61.69 58.78 2uuu s THR 274 Cb -0.16 -2.18 0.18 0.00 1.34 0.00 0.00 72.50 71.68 2uuu s THR 274 CO 0.10 -0.49 1.54 -2.65 -0.54 0.00 0.00 174.62 172.58 2uuu n PRO 275 N -0.43 0.12 -0.15 3.99 -0.02 -1.25 -1.74 135.00 135.51 2uuu n PRO 275 Ca -0.07 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2uuu n PRO 275 Cb 0.62 -1.91 0.12 0.00 -0.02 0.00 0.00 33.50 32.30 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 -2.14 1.31 0.00 3.45 -2.24 -1.21 -4.96 114.28 108.50 2uuu n THR 276 Ca -0.01 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 2uuu n THR 276 Cb 0.05 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.22 2.99 3.71 3.38 0.00 -0.71 -5.05 105.19 109.28 2uuu n GLY 277 Ca 0.10 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 2uuu n GLY 277 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2uuu s THR 278 N -2.03 5.06 -0.27 2.61 2.01 -1.26 -2.12 115.64 119.64 2uuu s THR 278 Ca 0.00 1.33 -0.14 0.00 0.31 0.00 0.00 61.69 63.19 2uuu s THR 278 Cb 0.00 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2uuu s THR 278 CO 0.00 0.24 0.34 -0.76 -0.69 0.00 0.00 174.62 173.75 2uuu s LEU 279 N 0.94 4.04 0.11 4.42 1.43 0.11 -4.94 118.68 124.79 2uuu s LEU 279 Ca 0.34 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2uuu s LEU 279 Cb -0.17 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 2uuu s LEU 279 CO 0.16 -0.15 0.18 -1.61 0.23 0.00 0.00 176.35 175.15 2uuu s GLU 280 N 1.98 3.17 0.08 1.70 0.41 -1.26 -1.55 118.70 123.23 2uuu s GLU 280 Ca 0.13 -0.65 0.04 0.00 -0.41 0.00 0.00 54.97 54.09 2uuu s GLU 280 Cb -0.16 -2.84 -0.03 0.00 -1.78 0.00 0.00 34.13 29.32 2uuu s GLU 280 CO 0.10 0.55 -0.12 -0.51 -0.49 0.00 0.00 175.26 174.79 2uuu s LEU 281 N -2.81 2.33 0.41 1.80 1.43 -1.24 -5.05 118.68 115.54 2uuu s LEU 281 Ca 0.32 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.81 2uuu s LEU 281 Cb -0.12 -0.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 2uuu s LEU 281 CO 0.25 -0.16 0.23 0.00 0.23 0.00 0.00 176.35 176.91 2uuu s ARG 282 N -2.15 2.32 -0.90 1.70 1.70 -1.26 -4.68 118.95 115.68 2uuu s ARG 282 Ca 0.00 -1.73 -0.21 0.00 -0.47 0.00 0.00 55.73 53.33 2uuu s ARG 282 Cb -0.07 -2.11 0.10 0.00 -0.57 0.00 0.00 34.95 32.30 2uuu s ARG 282 CO 0.01 -0.11 1.19 1.21 -1.08 0.00 0.00 175.30 176.52 2uuu s ASN 283 N -3.96 6.51 0.56 -2.89 3.84 -1.26 -4.68 114.94 113.05 2uuu s ASN 283 Ca 0.43 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.82 2uuu s ASN 283 Cb 0.01 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 2uuu s ASN 283 CO 0.24 -1.26 0.00 0.61 -2.79 0.00 0.00 177.10 173.90 2uuu n GLY 288 N 5.81 -0.57 0.00 1.21 0.00 -1.26 -5.17 105.19 105.22 2uuu n GLY 288 Ca 0.21 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2uuu n GLY 288 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uuu n ALA 289 N 1.33 0.00 0.00 4.61 0.00 -1.26 -5.05 120.51 120.14 2uuu n ALA 289 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2uuu n ALA 289 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2uuu n ALA 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uuu n GLY 290 N 5.00 2.25 3.76 0.00 0.00 -1.26 -4.98 105.19 109.96 2uuu n GLY 290 Ca 0.00 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 2uuu n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uuu s ILE 291 N -2.65 2.91 -1.09 -0.61 -1.09 -1.26 -4.95 121.20 112.45 2uuu s ILE 291 Ca 0.00 0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 59.06 2uuu s ILE 291 Cb 0.00 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.41 2uuu s ILE 291 CO 0.00 0.18 1.50 0.21 -1.23 0.00 0.00 174.94 175.59 2uuu s ASN 292 N -0.22 6.63 0.62 3.58 3.84 -1.26 -4.89 114.94 123.23 2uuu s ASN 292 Ca 0.52 -1.83 0.39 0.00 0.21 0.00 0.00 52.86 52.14 2uuu s ASN 292 Cb -0.38 -2.55 2.00 0.00 -0.55 0.00 0.00 41.25 39.77 2uuu s ASN 292 CO 0.47 -1.35 2.23 1.88 -2.79 0.00 0.00 177.10 177.54 2uuu h TYR 293 N 9.01 0.00 -0.88 0.43 -1.99 -2.02 -2.44 116.97 119.08 2uuu h TYR 293 Ca 0.27 0.00 0.21 0.00 2.00 0.00 0.00 58.73 61.21 2uuu h TYR 293 Cb 0.97 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.64 2uuu h TYR 293 CO 1.30 0.01 0.59 1.57 -0.00 0.00 0.00 178.16 181.64 2uuu h LYS 294 N 0.00 0.30 0.00 4.88 2.10 -1.97 -1.32 116.57 120.56 2uuu h LYS 294 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2uuu h LYS 294 Cb 0.18 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2uuu h LYS 294 CO 0.00 0.20 0.00 0.72 -2.00 0.00 0.00 179.45 178.37 2uuu n HIS 295 N -4.46 0.80 0.08 0.07 8.25 -0.92 -1.78 115.22 117.26 2uuu n HIS 295 Ca 0.19 0.35 -0.09 0.00 -0.26 0.00 0.00 57.72 57.91 2uuu n HIS 295 Cb 0.74 -1.06 0.02 0.00 1.12 0.00 0.00 29.99 30.82 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 1.44 0.01 1.59 2.04 -1.45 -3.36 117.51 117.78 2uuu h ILE 296 Ca 0.00 -2.36 -0.37 0.00 1.00 0.00 0.00 64.86 63.12 2uuu h ILE 296 Cb 0.23 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 2uuu h ILE 296 CO 0.00 0.70 -2.34 -0.38 0.00 0.00 0.00 178.15 176.13 2uuu n ILE 297 N -3.75 1.50 -1.68 -0.67 2.08 -0.91 -4.71 119.36 111.22 2uuu n ILE 297 Ca -0.04 -0.69 -0.45 0.00 0.56 0.00 0.00 62.75 62.13 2uuu n ILE 297 Cb 0.75 -1.11 -0.03 0.00 -0.75 0.00 0.00 39.64 38.49 2uuu n ILE 297 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2uuu n LEU 298 N -3.10 3.36 0.00 1.39 4.77 -0.73 -1.26 117.00 121.43 2uuu n LEU 298 Ca -0.38 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2uuu n LEU 298 Cb 1.06 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2uuu n LEU 298 CO 0.35 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.81 2uuu n GLY 299 N 3.17 0.64 0.16 -0.72 0.00 -0.56 -4.92 105.19 102.96 2uuu n GLY 299 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2uuu n GLY 299 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uuu n SER 300 N 0.00 0.71 -3.88 1.61 3.41 -0.39 -4.73 113.62 110.36 2uuu n SER 300 Ca 0.00 -0.66 -0.29 0.00 -0.26 0.00 0.00 58.87 57.66 2uuu n SER 300 Cb 0.00 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -0.88 -5.63 -0.90 4.33 1.02 0.41 -1.61 120.64 117.39 2uuu n GLU 301 Ca 0.12 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 2uuu n GLU 301 Cb 0.32 -5.48 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 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 -1.70 0.66 0.00 0.62 0.00 -1.26 -4.88 105.19 98.62 2uuu n GLY 302 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.16 0.01 -1.14 2.61 -2.24 -0.63 -3.80 114.28 106.92 2uuu n THR 303 Ca 0.00 -0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2uuu n THR 303 Cb 0.03 -0.29 0.09 0.00 -2.10 0.00 0.00 70.33 68.06 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 -1.51 1.77 0.00 3.22 4.77 -1.26 -4.73 117.00 119.26 2uuu n LEU 304 Ca 0.07 -2.47 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 2uuu n LEU 304 Cb 0.34 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2uuu n LEU 304 CO 0.29 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2uuu n GLY 305 N -1.01 1.64 3.40 -0.72 0.00 -1.25 -4.75 105.19 102.49 2uuu n GLY 305 Ca 0.11 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.43 3.88 0.09 -0.61 -1.09 0.34 -4.56 121.20 117.82 2uuu s ILE 306 Ca 0.00 -0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 57.79 2uuu s ILE 306 Cb 0.00 -2.78 -0.06 0.00 -1.58 0.00 0.00 42.46 38.03 2uuu s ILE 306 CO 0.00 0.39 1.20 -0.63 -1.23 0.00 0.00 174.94 174.67 2uuu s ILE 307 N 1.42 3.90 -0.13 2.92 1.01 -1.26 -0.31 121.20 128.75 2uuu s ILE 307 Ca 0.05 1.42 -0.05 0.00 0.00 0.00 0.00 60.65 62.07 2uuu s ILE 307 Cb -0.15 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 2uuu s ILE 307 CO 0.01 0.14 -0.16 0.35 0.00 0.00 0.00 174.94 175.28 2uuu n THR 308 N 3.58 0.72 -4.15 2.92 -2.24 -0.67 -4.80 114.28 109.64 2uuu n THR 308 Ca 0.08 -0.20 -0.15 0.00 -2.27 0.00 0.00 64.05 61.50 2uuu n THR 308 Cb 0.46 -1.52 -0.14 0.00 -2.10 0.00 0.00 70.33 67.03 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 -2.24 0.47 0.03 -0.78 2.02 -1.26 -1.49 118.70 115.44 2uuu s GLU 309 Ca -0.18 -0.33 0.03 0.00 0.02 0.00 0.00 54.97 54.50 2uuu s GLU 309 Cb 0.06 -0.40 -0.02 0.00 0.10 0.00 0.00 34.13 33.88 2uuu s GLU 309 CO 0.24 0.10 -0.09 0.00 0.02 0.00 0.00 175.26 175.54 2uuu s ALA 310 N -0.43 0.70 -0.36 5.21 0.00 0.17 -1.42 121.76 125.63 2uuu s ALA 310 Ca -0.01 -0.61 -0.16 0.00 0.00 0.00 0.00 51.96 51.18 2uuu s ALA 310 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.01 2uuu s ALA 310 CO -0.00 0.09 0.41 0.08 0.00 0.00 0.00 175.76 176.34 2uuu s VAL 311 N -0.83 5.12 -0.02 0.00 1.01 0.55 -0.93 120.40 125.30 2uuu s VAL 311 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2uuu s VAL 311 Cb -0.07 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2uuu s VAL 311 CO 0.00 -0.18 -0.07 -0.04 0.00 0.00 0.00 175.10 174.81 2uuu s MET 312 N 2.12 2.61 0.00 2.72 -1.94 0.45 -0.72 119.30 124.55 2uuu s MET 312 Ca 0.13 -0.66 -0.30 0.00 -1.71 0.00 0.00 55.69 53.15 2uuu s MET 312 Cb -0.16 -2.52 -0.05 0.00 2.01 0.00 0.00 34.83 34.10 2uuu s MET 312 CO 0.12 0.62 1.39 0.21 -0.01 0.00 0.00 175.02 177.36 2uuu s LYS 313 N -1.17 4.29 0.46 2.03 2.20 0.10 -0.96 119.74 126.69 2uuu s LYS 313 Ca 0.15 1.95 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 2uuu s LYS 313 Cb -0.11 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.61 2uuu s LYS 313 CO 0.05 -0.56 0.05 0.14 -0.36 0.00 0.00 175.35 174.66 2uuu s VAL 314 N 2.33 1.62 0.06 4.02 -7.23 -0.31 -4.81 120.40 116.09 2uuu s VAL 314 Ca 0.63 -1.94 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 2uuu s VAL 314 Cb -0.31 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2uuu s VAL 314 CO 0.26 0.00 -0.06 -1.38 -0.31 0.00 0.00 175.10 173.61 2uuu s HIS 315 N -2.78 0.69 0.34 2.82 -3.43 -0.01 -4.73 115.29 108.19 2uuu s HIS 315 Ca 0.22 -0.71 -0.28 0.00 -0.80 0.00 0.00 55.06 53.48 2uuu s HIS 315 Cb 0.05 -0.42 -0.12 0.00 -1.43 0.00 0.00 32.58 30.66 2uuu s HIS 315 CO 0.12 -0.15 1.37 0.00 -2.00 0.00 0.00 174.74 174.08 2uuu n ALA 316 N 0.79 1.63 -1.67 -1.38 0.00 -1.26 -0.16 120.51 118.45 2uuu n ALA 316 Ca -0.18 0.36 -0.51 0.00 0.00 0.00 0.00 53.44 53.11 2uuu n ALA 316 Cb 0.58 -2.31 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 2uuu n ALA 316 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2uuu n VAL 317 N 0.63 0.29 -2.14 0.00 0.31 -0.76 -4.74 118.33 111.93 2uuu n VAL 317 Ca 0.05 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.95 2uuu n VAL 317 Cb 0.36 -1.46 0.01 0.00 -0.91 0.00 0.00 33.84 31.84 2uuu n VAL 317 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2uuu s PRO 318 N 2.68 3.55 0.37 5.55 0.02 -1.26 -4.93 135.00 140.98 2uuu s PRO 318 Ca 0.90 1.87 0.18 0.00 0.02 0.00 0.00 61.00 63.98 2uuu s PRO 318 Cb -0.83 -2.32 0.64 0.00 0.02 0.00 0.00 34.50 32.01 2uuu s PRO 318 CO 0.52 -0.75 1.72 -0.56 -0.33 0.00 0.00 177.00 177.59 2uuu h GLN 319 N 1.80 0.00 -4.62 5.54 3.07 -1.88 -3.43 115.11 115.59 2uuu h GLN 319 Ca -0.50 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.71 2uuu h GLN 319 Cb 1.26 0.00 -0.34 0.00 0.08 0.00 0.00 27.48 28.49 2uuu h GLN 319 CO 0.59 0.39 -0.82 0.00 0.09 0.00 0.00 178.83 179.08 2uuu s ALA 320 N -3.59 1.38 -0.17 0.06 0.00 -0.16 -4.87 121.76 114.42 2uuu s ALA 320 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 2uuu s ALA 320 Cb 0.11 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.65 2uuu s ALA 320 CO 0.69 0.09 0.00 0.08 0.00 0.00 0.00 175.76 176.62 2uuu s VAL 321 N 0.71 0.67 -0.06 0.00 1.01 -1.26 -1.42 120.40 120.05 2uuu s VAL 321 Ca -0.13 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2uuu s VAL 321 Cb -0.16 -1.03 0.03 0.00 0.00 0.00 0.00 36.38 35.22 2uuu s VAL 321 CO 0.03 -0.03 -0.01 -1.61 0.00 0.00 0.00 175.10 173.48 2uuu s GLU 322 N 1.81 0.66 -0.07 2.72 2.02 -0.35 -4.64 118.70 120.85 2uuu s GLU 322 Ca 0.00 0.05 0.04 0.00 0.02 0.00 0.00 54.97 55.09 2uuu s GLU 322 Cb -0.16 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.14 2uuu s GLU 322 CO -0.07 -0.25 -0.19 0.71 0.02 0.00 0.00 175.26 175.48 2uuu s TYR 323 N 1.69 1.98 0.11 1.61 1.51 -1.26 -0.85 117.35 122.14 2uuu s TYR 323 Ca 0.01 -0.68 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 2uuu s TYR 323 Cb -0.13 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 2uuu s TYR 323 CO -0.04 -0.27 -0.13 0.71 -1.11 0.00 0.00 175.55 174.72 2uuu s TYR 324 N 0.25 1.26 -0.02 2.71 2.02 0.39 -3.89 117.35 120.06 2uuu s TYR 324 Ca -0.11 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.06 2uuu s TYR 324 Cb -0.15 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 2uuu s TYR 324 CO 0.05 0.08 -0.17 0.20 -1.57 0.00 0.00 175.55 174.14 2uuu s GLY 325 N -2.39 1.49 0.03 0.71 0.00 -0.95 -0.87 107.32 105.34 2uuu s GLY 325 Ca 0.07 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.76 2uuu s GLY 325 CO 0.02 -0.88 -0.09 -1.36 0.00 0.00 0.00 173.10 170.79 2uuu s PHE 326 N -0.75 0.78 -0.06 1.90 0.08 0.30 0.75 117.98 120.98 2uuu s PHE 326 Ca 0.12 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.81 2uuu s PHE 326 Cb -0.10 -0.47 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 2uuu s PHE 326 CO 0.01 -0.03 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.48 2uuu s LEU 327 N -1.20 2.93 0.06 -0.37 1.43 -0.14 -0.31 118.68 121.07 2uuu s LEU 327 Ca -0.05 -0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 2uuu s LEU 327 Cb -0.08 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2uuu s LEU 327 CO 0.01 0.35 -0.23 -0.36 0.23 0.00 0.00 176.35 176.35 2uuu s PHE 328 N -0.77 2.41 0.51 0.29 0.08 -0.07 -0.04 117.98 120.39 2uuu s PHE 328 Ca 0.12 -0.35 0.28 0.00 0.12 0.00 0.00 56.93 57.11 2uuu s PHE 328 Cb -0.11 -1.39 1.63 0.00 -0.57 0.00 0.00 43.02 42.59 2uuu s PHE 328 CO 0.01 0.22 2.17 -1.35 -0.10 0.00 0.00 175.22 176.17 2uuu h PRO 329 N 4.47 0.00 -3.44 0.24 0.11 -1.86 -1.52 132.00 130.00 2uuu h PRO 329 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 2uuu h PRO 329 Cb 1.15 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.17 2uuu h PRO 329 CO 0.44 0.06 -0.03 0.95 -0.21 0.00 0.00 178.00 179.22 2uuu s THR 330 N -4.43 0.01 0.18 -1.15 -4.23 -1.23 -3.72 115.64 101.07 2uuu s THR 330 Ca -0.04 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.26 2uuu s THR 330 Cb 0.14 -1.93 0.01 0.00 1.34 0.00 0.00 72.50 72.06 2uuu s THR 330 CO 0.57 -0.06 1.57 0.15 -0.54 0.00 0.00 174.62 176.30 2uuu h PHE 331 N 2.22 1.04 -0.98 3.99 3.57 -1.88 -3.13 116.94 121.77 2uuu h PHE 331 Ca -0.26 -0.26 0.02 0.00 3.53 0.00 0.00 57.97 61.00 2uuu h PHE 331 Cb 1.25 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 2uuu h PHE 331 CO 0.39 1.05 0.65 0.00 -2.23 0.00 0.00 178.31 178.17 2uuu h ALA 332 N 0.93 1.27 -0.55 2.41 0.00 -1.97 -1.89 119.26 119.45 2uuu h ALA 332 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2uuu h ALA 332 Cb 0.81 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2uuu h ALA 332 CO 0.07 0.60 0.32 0.45 0.00 0.00 0.00 179.25 180.69 2uuu h HIS 333 N 1.30 0.74 -0.43 0.00 3.86 -1.89 -1.64 115.15 117.09 2uuu h HIS 333 Ca 0.37 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2uuu h HIS 333 Cb -0.10 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 2uuu h HIS 333 CO -0.00 0.52 0.26 0.00 0.86 0.00 0.00 177.93 179.57 2uuu h ALA 334 N 1.16 0.55 0.00 2.45 0.00 -1.39 -1.83 119.26 120.19 2uuu h ALA 334 Ca 0.20 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2uuu h ALA 334 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2uuu h ALA 334 CO -0.04 0.04 -0.63 0.28 0.00 0.00 0.00 179.25 178.90 2uuu h VAL 335 N 0.57 1.39 -0.31 0.00 2.07 -1.23 -1.15 116.25 117.60 2uuu h VAL 335 Ca 0.15 -2.20 -0.01 0.00 0.82 0.00 0.00 66.70 65.47 2uuu h VAL 335 Cb -0.00 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2uuu h VAL 335 CO -0.03 0.62 0.17 -1.28 0.02 0.00 0.00 177.57 177.07 2uuu h SER 336 N 0.00 0.38 -0.62 0.57 0.87 -1.09 -2.41 113.55 111.26 2uuu h SER 336 Ca -0.01 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2uuu h SER 336 Cb 1.15 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.99 2uuu h SER 336 CO 0.08 0.35 0.39 0.00 -0.53 0.00 0.00 176.83 177.13 2uuu h ALA 337 N 1.04 0.79 -0.36 6.23 0.00 -0.78 -2.32 119.26 123.86 2uuu h ALA 337 Ca 0.11 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2uuu h ALA 337 Cb 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.52 2uuu h ALA 337 CO -0.02 0.24 -0.15 -0.07 0.00 0.00 0.00 179.25 179.25 2uuu h LEU 338 N 0.84 -0.53 -0.01 0.00 4.07 -1.12 0.38 115.31 118.94 2uuu h LEU 338 Ca 0.22 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.32 2uuu h LEU 338 Cb -0.07 0.30 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2uuu h LEU 338 CO -0.05 -0.19 0.00 1.56 -1.08 0.00 0.00 178.44 178.69 2uuu h GLN 339 N -0.08 0.01 -0.33 1.13 4.20 -1.23 -2.23 115.11 116.56 2uuu h GLN 339 Ca 0.18 -0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.77 2uuu h GLN 339 Cb 0.36 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2uuu h GLN 339 CO -0.42 0.00 -0.29 1.96 -0.67 0.00 0.00 178.83 179.41 2uuu h GLN 340 N 0.01 0.70 -0.04 1.46 4.20 -1.27 -0.93 115.11 119.24 2uuu h GLN 340 Ca 0.01 -0.31 0.02 0.00 0.06 0.00 0.00 58.65 58.43 2uuu h GLN 340 Cb 0.01 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2uuu h GLN 340 CO -0.01 0.91 -0.06 0.82 -0.67 0.00 0.00 178.83 179.82 2uuu h ILE 341 N 0.60 0.83 -0.55 2.54 2.04 -0.86 -2.01 117.51 120.11 2uuu h ILE 341 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2uuu h ILE 341 Cb 0.80 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2uuu h ILE 341 CO 0.07 0.00 0.32 -0.09 0.00 0.00 0.00 178.15 178.45 2uuu h ARG 342 N -0.09 0.75 0.00 2.37 2.43 -1.12 -2.76 114.38 115.96 2uuu h ARG 342 Ca 0.04 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2uuu h ARG 342 Cb 0.14 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2uuu h ARG 342 CO -0.09 0.55 -0.04 0.77 -1.51 0.00 0.00 179.97 179.65 2uuu h SER 343 N 0.74 0.00 1.01 -3.80 0.02 -1.01 -1.79 113.55 108.72 2uuu h SER 343 Ca 0.20 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2uuu h SER 343 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 2uuu h SER 343 CO -0.04 0.04 -0.11 0.77 -1.14 0.00 0.00 176.83 176.35 2uuu h SER 344 N 0.00 0.00 -0.17 3.07 4.64 -1.06 -3.47 113.55 116.57 2uuu h SER 344 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2uuu h SER 344 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 2uuu h SER 344 CO 0.00 0.11 -0.07 -0.62 -0.87 0.00 0.00 176.83 175.39 2uuu n GLU 345 N -3.24 -0.66 -3.92 4.77 1.02 -0.68 -4.96 120.64 112.97 2uuu n GLU 345 Ca 0.00 0.45 -0.30 0.00 -0.02 0.00 0.00 57.16 57.30 2uuu n GLU 345 Cb 0.38 -4.13 -0.14 0.00 -0.02 0.00 0.00 31.44 27.52 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 -1.92 2.44 0.08 2.62 1.01 -1.26 -5.11 120.40 118.26 2uuu s VAL 346 Ca 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 61.98 58.77 2uuu s VAL 346 Cb 0.00 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2uuu s VAL 346 CO 0.00 -0.82 -0.01 0.27 0.00 0.00 0.00 175.10 174.54 2uuu s ILE 347 N -0.25 3.98 1.05 2.22 -4.36 -1.26 -4.66 121.20 117.92 2uuu s ILE 347 Ca 0.17 -0.95 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 2uuu s ILE 347 Cb -0.25 -2.88 0.22 0.00 1.25 0.00 0.00 42.46 40.80 2uuu s ILE 347 CO -0.00 0.16 1.07 -2.16 0.24 0.00 0.00 174.94 174.24 2uuu s PRO 348 N -2.19 -0.00 0.10 0.37 0.04 -1.26 -4.97 135.00 127.10 2uuu s PRO 348 Ca 0.25 0.70 -0.14 0.00 0.04 0.00 0.00 61.00 61.84 2uuu s PRO 348 Cb -0.12 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.67 2uuu s PRO 348 CO 0.17 -3.07 1.43 1.15 0.04 0.00 0.00 177.00 176.72 2uuu h THR 349 N -2.14 1.30 -3.60 1.26 2.02 -1.22 -3.44 112.91 107.09 2uuu h THR 349 Ca -0.56 -1.46 -0.17 0.00 0.77 0.00 0.00 66.41 64.99 2uuu h THR 349 Cb 1.32 1.55 -0.23 0.00 -1.74 0.00 0.00 68.15 69.06 2uuu h THR 349 CO 0.54 0.47 -0.58 -0.32 0.37 0.00 0.00 175.52 176.00 2uuu s MET 350 N -4.37 0.31 -0.02 6.66 -2.45 -1.00 -4.32 119.30 114.11 2uuu s MET 350 Ca -0.12 -0.24 -0.05 0.00 -1.25 0.00 0.00 55.69 54.02 2uuu s MET 350 Cb 0.09 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.30 2uuu s MET 350 CO 0.83 -0.06 0.12 -1.50 1.05 0.00 0.00 175.02 175.46 2uuu s ILE 351 N -0.87 0.05 -0.08 10.11 2.07 -1.26 -0.63 121.20 130.59 2uuu s ILE 351 Ca -0.10 -0.39 -0.06 0.00 -1.41 0.00 0.00 60.65 58.69 2uuu s ILE 351 Cb -0.06 -0.31 0.02 0.00 0.13 0.00 0.00 42.46 42.25 2uuu s ILE 351 CO 0.00 -0.22 0.19 -0.60 -1.91 0.00 0.00 174.94 172.41 2uuu s ARG 352 N -0.72 0.20 -0.16 3.50 3.52 -0.69 -4.65 118.95 119.95 2uuu s ARG 352 Ca -0.08 0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.83 2uuu s ARG 352 Cb -0.05 0.04 -0.00 0.00 -1.56 0.00 0.00 34.95 33.38 2uuu s ARG 352 CO 0.01 -0.06 -0.14 0.08 -0.81 0.00 0.00 175.30 174.37 2uuu s VAL 353 N 0.40 2.73 -0.16 7.11 1.01 -0.54 -1.69 120.40 129.26 2uuu s VAL 353 Ca -0.02 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 2uuu s VAL 353 Cb -0.04 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 2uuu s VAL 353 CO -0.02 0.51 0.18 -0.31 0.00 0.00 0.00 175.10 175.46 2uuu s TYR 354 N 0.92 3.49 1.21 5.22 2.02 0.39 -0.56 117.35 130.03 2uuu s TYR 354 Ca -0.03 0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.98 2uuu s TYR 354 Cb -0.15 -2.15 0.29 0.00 -0.40 0.00 0.00 41.96 39.55 2uuu s TYR 354 CO -0.01 0.42 1.05 0.16 -1.57 0.00 0.00 175.55 175.60 2uuu s ASP 355 N -0.09 0.79 0.39 2.29 -4.77 -0.37 -3.29 116.67 111.62 2uuu s ASP 355 Ca 0.13 0.96 0.07 0.00 -3.30 0.00 0.00 52.55 50.40 2uuu s ASP 355 Cb -0.12 -1.42 0.80 0.00 -1.09 0.00 0.00 42.92 41.09 2uuu s ASP 355 CO 0.02 -4.24 2.00 -0.65 0.70 0.00 0.00 175.17 173.00 2uuu h PRO 356 N -2.65 0.48 -0.27 2.11 0.11 -1.84 -0.60 132.00 129.32 2uuu h PRO 356 Ca -0.50 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.40 2uuu h PRO 356 Cb 1.32 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 2uuu h PRO 356 CO 0.41 0.39 -0.44 0.93 -0.21 0.00 0.00 178.00 179.09 2uuu h GLU 357 N 0.48 0.78 0.00 1.05 3.07 -1.89 -1.65 114.58 116.42 2uuu h GLU 357 Ca 0.12 -0.48 -0.13 0.00 -0.50 0.00 0.00 59.36 58.38 2uuu h GLU 357 Cb 0.09 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 2uuu h GLU 357 CO -0.01 1.10 -0.61 1.49 -1.40 0.00 0.00 179.01 179.58 2uuu h GLU 358 N 0.54 0.00 -0.05 2.33 4.81 -1.73 -2.08 114.58 118.39 2uuu h GLU 358 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2uuu h GLU 358 Cb 1.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2uuu h GLU 358 CO 0.10 0.61 0.03 1.15 -0.73 0.00 0.00 179.01 180.18 2uuu h THR 359 N 0.00 1.06 -0.71 0.32 2.02 -1.08 -1.31 112.91 113.22 2uuu h THR 359 Ca -0.01 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2uuu h THR 359 Cb 1.21 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 2uuu h THR 359 CO 0.08 0.05 0.37 1.56 0.37 0.00 0.00 175.52 177.95 2uuu h GLN 360 N 0.02 1.00 -0.31 6.66 4.20 -1.20 -1.96 115.11 123.51 2uuu h GLN 360 Ca 0.02 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2uuu h GLN 360 Cb 0.06 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 2uuu h GLN 360 CO -0.00 0.76 0.17 1.25 -0.67 0.00 0.00 178.83 180.34 2uuu h LEU 361 N 0.98 0.26 -1.83 1.46 5.85 -1.36 -1.92 115.31 118.75 2uuu h LEU 361 Ca 0.25 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.99 2uuu h LEU 361 Cb 0.07 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2uuu h LEU 361 CO -0.04 0.19 0.14 0.28 -0.34 0.00 0.00 178.44 178.68 2uuu h SER 362 N 0.35 0.20 0.89 1.25 0.02 -0.58 0.15 113.55 115.83 2uuu h SER 362 Ca 0.13 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.89 2uuu h SER 362 Cb 0.02 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 2uuu h SER 362 CO -0.08 0.14 -1.19 -0.26 -1.14 0.00 0.00 176.83 174.30 2uuu h PHE 363 N 0.23 0.00 0.00 3.45 0.04 -1.22 -3.32 116.94 116.12 2uuu h PHE 363 Ca 0.08 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 2uuu h PHE 363 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2uuu h PHE 363 CO -0.00 0.71 -0.50 0.00 -0.60 0.00 0.00 178.31 177.92 2uuu h ALA 364 N 1.29 0.70 -1.28 2.45 0.00 -0.76 -3.38 119.26 118.29 2uuu h ALA 364 Ca -0.13 -0.46 -0.68 0.00 0.00 0.00 0.00 54.91 53.65 2uuu h ALA 364 Cb 1.65 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.24 2uuu h ALA 364 CO 0.07 0.63 1.65 -0.46 0.00 0.00 0.00 179.25 181.13 2uuu s TRP 365 N -3.03 2.98 -0.29 0.00 -0.11 -0.01 -3.30 118.94 115.18 2uuu s TRP 365 Ca 0.03 -1.59 -0.15 0.00 1.22 0.00 0.00 56.10 55.62 2uuu s TRP 365 Cb 0.08 -4.56 0.09 0.00 -1.50 0.00 0.00 33.47 27.58 2uuu s TRP 365 CO 0.74 -1.68 0.69 0.21 -4.62 0.00 0.00 176.95 172.29 2uuu s LYS 366 N 3.42 0.67 0.12 5.86 2.20 -1.26 -4.90 119.74 125.84 2uuu s LYS 366 Ca 0.46 1.27 0.11 0.00 -0.36 0.00 0.00 55.97 57.45 2uuu s LYS 366 Cb 0.00 0.31 0.54 0.00 -1.51 0.00 0.00 37.83 37.17 2uuu s LYS 366 CO -0.00 -0.16 1.34 -2.30 -0.36 0.00 0.00 175.35 173.87 2uuu n PRO 367 N 4.57 0.06 0.00 4.03 -0.02 -1.26 -4.23 135.00 138.15 2uuu n PRO 367 Ca -0.18 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2uuu n PRO 367 Cb 0.57 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2uuu n PRO 367 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2uuu n SER 368 N -1.79 0.00 0.08 2.55 7.64 -1.26 -4.60 113.62 116.24 2uuu n SER 368 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2uuu n SER 368 Cb 0.06 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 2uuu n SER 368 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2uuu h GLU 374 N 0.00 0.00 -0.03 1.43 4.11 -2.04 -3.46 114.58 114.59 2uuu h GLU 374 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 2uuu h GLU 374 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2uuu h GLU 374 CO 0.00 0.58 -0.63 0.74 0.07 0.00 0.00 179.01 179.78 2uuu h PHE 375 N 0.00 0.13 -0.38 2.06 -1.00 -2.00 -3.14 116.94 112.61 2uuu h PHE 375 Ca -0.06 -0.05 -0.15 0.00 2.81 0.00 0.00 57.97 60.51 2uuu h PHE 375 Cb 1.58 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.11 2uuu h PHE 375 CO 0.00 0.70 -0.37 0.00 -1.61 0.00 0.00 178.31 177.03 2uuu h THR 376 N 0.07 1.27 -0.58 -1.55 1.03 -1.99 -1.39 112.91 109.78 2uuu h THR 376 Ca -0.01 -1.54 -0.08 0.00 -0.01 0.00 0.00 66.41 64.77 2uuu h THR 376 Cb 1.12 1.37 -0.02 0.00 -1.07 0.00 0.00 68.15 69.55 2uuu h THR 376 CO 0.09 0.51 0.03 0.77 -0.01 0.00 0.00 175.52 176.91 2uuu h SER 377 N 0.74 0.94 -0.69 0.00 4.64 -2.01 -2.58 113.55 114.60 2uuu h SER 377 Ca 0.06 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.12 2uuu h SER 377 Cb 0.95 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2uuu h SER 377 CO 0.09 0.98 0.34 0.00 -0.87 0.00 0.00 176.83 177.37 2uuu h ALA 378 N 1.12 1.27 -0.16 5.18 0.00 -1.48 -2.16 119.26 123.04 2uuu h ALA 378 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 2uuu h ALA 378 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2uuu h ALA 378 CO 0.02 0.56 -0.53 0.52 0.00 0.00 0.00 179.25 179.82 2uuu h MET 379 N 1.00 0.46 -0.36 0.00 2.86 -1.02 -1.14 114.93 116.73 2uuu h MET 379 Ca 0.24 -0.28 -0.15 0.00 -2.06 0.00 0.00 59.70 57.46 2uuu h MET 379 Cb 0.10 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2uuu h MET 379 CO -0.03 0.88 -0.36 0.28 1.06 0.00 0.00 176.91 178.74 2uuu h VAL 380 N 0.36 1.28 -0.54 -2.22 2.07 -1.37 -1.43 116.25 114.40 2uuu h VAL 380 Ca 0.01 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.03 2uuu h VAL 380 Cb 1.05 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2uuu h VAL 380 CO 0.10 0.51 0.31 0.11 0.02 0.00 0.00 177.57 178.61 2uuu h LYS 381 N 0.69 0.60 -0.51 1.57 1.79 -1.23 0.18 116.57 119.67 2uuu h LYS 381 Ca 0.06 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2uuu h LYS 381 Cb 0.92 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 2uuu h LYS 381 CO 0.09 0.40 0.02 0.87 -1.08 0.00 0.00 179.45 179.74 2uuu h LYS 382 N 0.62 0.84 0.43 3.15 1.57 -1.14 -1.29 116.57 120.75 2uuu h LYS 382 Ca 0.22 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2uuu h LYS 382 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2uuu h LYS 382 CO -0.11 0.83 -0.21 -0.92 -0.57 0.00 0.00 179.45 178.47 2uuu h TYR 383 N 0.79 -0.54 -0.91 -1.35 5.03 -0.71 -1.47 116.97 117.80 2uuu h TYR 383 Ca 0.15 -0.01 0.09 0.00 2.58 0.00 0.00 58.73 61.54 2uuu h TYR 383 Cb 0.44 0.18 -0.07 0.00 1.55 0.00 0.00 36.73 38.83 2uuu h TYR 383 CO 0.02 -0.22 0.56 -0.07 -1.32 0.00 0.00 178.16 177.13 2uuu h LEU 384 N -0.86 0.85 -1.63 2.82 3.38 -0.68 0.15 115.31 119.34 2uuu h LEU 384 Ca -0.06 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2uuu h LEU 384 Cb 0.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2uuu h LEU 384 CO 0.10 0.50 -0.16 1.12 0.09 0.00 0.00 178.44 180.09 2uuu h HIS 385 N 0.96 0.00 0.03 1.13 -0.00 -1.26 -3.08 115.15 112.93 2uuu h HIS 385 Ca 0.42 0.00 -0.24 0.00 -0.00 0.00 0.00 60.37 60.55 2uuu h HIS 385 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 2uuu h HIS 385 CO -0.03 0.16 -1.19 -0.92 -0.00 0.00 0.00 177.93 175.95 2uuu h TYR 386 N 0.00 0.12 -0.29 6.12 5.03 0.11 -3.31 116.97 124.74 2uuu h TYR 386 Ca -0.00 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.22 2uuu h TYR 386 Cb 0.49 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.76 2uuu h TYR 386 CO 0.00 1.08 0.00 0.44 -1.32 0.00 0.00 178.16 178.36 2uuu n ILE 387 N -3.34 0.39 0.98 1.81 -5.35 -0.55 -2.76 119.36 110.53 2uuu n ILE 387 Ca -0.05 -0.41 0.13 0.00 -0.27 0.00 0.00 62.75 62.15 2uuu n ILE 387 Cb 0.98 0.24 0.50 0.00 -1.74 0.00 0.00 39.64 39.62 2uuu n ILE 387 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2uuu n ARG 388 N 0.41 0.02 0.00 6.28 1.74 -1.21 -4.12 116.66 119.77 2uuu n ARG 388 Ca 0.12 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2uuu n ARG 388 Cb 0.28 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2uuu n ARG 388 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2uuu n SER 389 N -1.54 4.60 -4.09 0.55 7.64 -1.13 -5.04 113.62 114.61 2uuu n SER 389 Ca 0.06 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.71 2uuu n SER 389 Cb 0.34 0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.86 1.39 0.08 1.43 0.40 -1.11 -5.11 117.98 113.20 2uuu s PHE 390 Ca 0.00 -0.35 -0.33 0.00 -0.60 0.00 0.00 56.93 55.65 2uuu s PHE 390 Cb 0.00 -0.94 -0.12 0.00 0.51 0.00 0.00 43.02 42.48 2uuu s PHE 390 CO 0.00 -0.11 1.78 -3.47 0.70 0.00 0.00 175.22 174.13 2uuu n ASP 391 N 3.08 3.66 0.00 1.36 4.64 -1.26 -4.29 116.55 123.74 2uuu n ASP 391 Ca -0.17 1.01 0.04 0.00 -1.38 0.00 0.00 54.79 54.28 2uuu n ASP 391 Cb 0.54 -1.47 0.17 0.00 -1.04 0.00 0.00 41.12 39.31 2uuu n ASP 391 CO 0.00 0.00 0.00 2.22 -0.82 0.00 0.00 177.20 178.60 2uuu n PHE 392 N 5.32 0.00 1.13 -0.67 1.16 -1.26 -1.69 117.46 121.45 2uuu n PHE 392 Ca 0.19 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.90 2uuu n PHE 392 Cb 0.33 -0.45 0.54 0.00 -1.61 0.00 0.00 39.48 38.29 2uuu n PHE 392 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2uuu n LYS 393 N -1.45 0.19 0.00 3.97 5.02 -1.26 -3.92 118.16 120.70 2uuu n LYS 393 Ca 0.02 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2uuu n LYS 393 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.36 2.03 -4.70 4.39 3.02 -0.68 -4.78 115.26 113.17 2uuu n ASN 394 Ca 0.09 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 2uuu n ASN 394 Cb 0.32 0.76 -0.03 0.00 -0.61 0.00 0.00 39.78 40.22 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 -1.17 3.18 -0.05 2.41 1.01 -1.00 -3.49 120.40 121.29 2uuu s VAL 395 Ca 0.00 0.69 0.02 0.00 0.00 0.00 0.00 61.98 62.69 2uuu s VAL 395 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2uuu s VAL 395 CO 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.02 2uuu s LEU 397 N -0.86 4.46 -0.03 0.00 2.96 -1.21 -0.90 118.68 123.11 2uuu s LEU 397 Ca 0.13 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 2uuu s LEU 397 Cb -0.11 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.97 2uuu s LEU 397 CO 0.02 0.31 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.69 2uuu s SER 398 N -1.15 1.63 -0.16 3.68 0.15 0.57 -0.46 113.70 117.96 2uuu s SER 398 Ca 0.24 -0.26 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 2uuu s SER 398 Cb -0.16 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 2uuu s SER 398 CO 0.13 0.10 -0.05 -0.63 1.20 0.00 0.00 173.24 174.00 2uuu s ILE 399 N 0.13 3.75 -0.04 6.45 1.09 -0.68 -0.54 121.20 131.36 2uuu s ILE 399 Ca -0.04 -0.40 0.03 0.00 -1.10 0.00 0.00 60.65 59.14 2uuu s ILE 399 Cb -0.10 -2.65 0.01 0.00 -1.06 0.00 0.00 42.46 38.66 2uuu s ILE 399 CO 0.01 0.48 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.60 2uuu s ILE 400 N 0.52 0.94 0.05 2.92 1.01 -0.05 -1.70 121.20 124.89 2uuu s ILE 400 Ca -0.04 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.27 2uuu s ILE 400 Cb -0.14 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 2uuu s ILE 400 CO 0.03 0.30 -0.18 -0.83 0.00 0.00 0.00 174.94 174.25 2uuu s GLY 401 N 0.38 1.01 -0.01 6.18 0.00 0.19 -0.47 107.32 114.61 2uuu s GLY 401 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 44.72 43.66 2uuu s GLY 401 CO 0.02 -0.97 -0.04 -1.36 0.00 0.00 0.00 173.10 170.75 2uuu s PHE 402 N -0.91 0.44 0.02 1.90 0.08 -0.03 -0.60 117.98 118.89 2uuu s PHE 402 Ca 0.05 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.03 2uuu s PHE 402 Cb -0.09 -0.32 -0.02 0.00 -0.57 0.00 0.00 43.02 42.03 2uuu s PHE 402 CO 0.02 -0.03 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.84 2uuu s GLU 403 N 0.07 0.41 0.00 0.44 2.02 -1.26 -1.22 118.70 119.17 2uuu s GLU 403 Ca -0.00 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.44 2uuu s GLU 403 Cb -0.04 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 33.99 2uuu s GLU 403 CO -0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.72 2uuu n GLY 404 N 1.94 0.73 3.71 -1.39 0.00 -0.51 -4.81 105.19 104.86 2uuu n GLY 404 Ca -0.20 -1.78 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 2.01 0.17 1.61 0.02 -1.26 -0.98 135.00 134.56 2uuu s PRO 405 Ca 0.00 1.81 -0.15 0.00 0.02 0.00 0.00 61.00 62.68 2uuu s PRO 405 Cb 0.00 -1.81 0.08 0.00 0.02 0.00 0.00 34.50 32.79 2uuu s PRO 405 CO 0.00 -1.95 1.78 -0.22 -0.33 0.00 0.00 177.00 176.28 2uuu h LYS 406 N -0.39 0.41 -0.66 5.54 3.64 -1.93 -0.91 116.57 122.27 2uuu h LYS 406 Ca -0.48 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2uuu h LYS 406 Cb 1.30 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2uuu h LYS 406 CO 0.49 0.27 0.35 0.87 -2.27 0.00 0.00 179.45 179.15 2uuu h LYS 407 N 0.42 0.92 0.13 1.90 1.57 -1.99 0.02 116.57 119.54 2uuu h LYS 407 Ca 0.19 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2uuu h LYS 407 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2uuu h LYS 407 CO -0.14 0.69 -0.06 0.28 -0.57 0.00 0.00 179.45 179.65 2uuu h VAL 408 N 0.92 1.02 -0.92 0.50 2.07 -1.80 -2.70 116.25 115.35 2uuu h VAL 408 Ca 0.23 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2uuu h VAL 408 Cb 0.05 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 2uuu h VAL 408 CO -0.04 0.24 0.58 0.58 0.02 0.00 0.00 177.57 178.96 2uuu h VAL 409 N -0.73 1.09 -0.19 2.57 2.07 -1.05 0.19 116.25 120.19 2uuu h VAL 409 Ca -0.02 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2uuu h VAL 409 Cb 0.53 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2uuu h VAL 409 CO 0.03 0.20 0.08 0.44 0.02 0.00 0.00 177.57 178.34 2uuu h ASP 410 N 1.09 0.11 -0.26 0.57 3.32 -1.05 0.07 116.42 120.27 2uuu h ASP 410 Ca 0.39 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.38 2uuu h ASP 410 Cb 0.11 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2uuu h ASP 410 CO -0.16 0.09 -0.12 0.15 -1.72 0.00 0.00 179.24 177.48 2uuu h PHE 411 N 0.18 0.62 -0.72 4.55 3.57 -1.01 -2.02 116.94 122.12 2uuu h PHE 411 Ca 0.08 -0.15 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2uuu h PHE 411 Cb 0.03 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2uuu h PHE 411 CO -0.10 0.79 0.39 0.45 -2.23 0.00 0.00 178.31 177.61 2uuu h HIS 412 N 0.27 0.98 -0.30 0.41 3.86 -0.98 -2.38 115.15 117.01 2uuu h HIS 412 Ca 0.06 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 2uuu h HIS 412 Cb 0.63 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2uuu h HIS 412 CO 0.06 0.69 -0.06 -0.09 0.86 0.00 0.00 177.93 179.40 2uuu h ARG 413 N 0.98 0.57 -0.10 2.45 2.43 -0.89 -0.84 114.38 118.98 2uuu h ARG 413 Ca 0.25 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 59.10 2uuu h ARG 413 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2uuu h ARG 413 CO -0.04 0.75 -0.45 0.00 -1.51 0.00 0.00 179.97 178.72 2uuu h THR 414 N 0.34 1.33 0.37 0.20 1.03 -1.41 0.10 112.91 114.87 2uuu h THR 414 Ca 0.08 -1.62 -0.02 0.00 -0.01 0.00 0.00 66.41 64.84 2uuu h THR 414 Cb 0.53 1.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 2uuu h THR 414 CO 0.03 0.48 -0.18 -1.28 -0.01 0.00 0.00 175.52 174.56 2uuu h SER 415 N 0.20 -0.42 -0.18 0.00 0.87 -1.36 -2.02 113.55 110.63 2uuu h SER 415 Ca 0.01 -0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 2uuu h SER 415 Cb 0.88 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2uuu h SER 415 CO 0.07 -0.12 0.06 0.58 -0.53 0.00 0.00 176.83 176.89 2uuu h VAL 416 N -0.72 0.96 -0.74 2.23 2.07 -1.10 -2.89 116.25 116.05 2uuu h VAL 416 Ca -0.05 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2uuu h VAL 416 Cb 0.50 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 2uuu h VAL 416 CO 0.08 0.03 0.48 -0.26 0.02 0.00 0.00 177.57 177.92 2uuu h PHE 417 N 0.15 0.94 -0.15 1.57 -1.00 -0.80 -0.84 116.94 116.81 2uuu h PHE 417 Ca 0.08 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.87 2uuu h PHE 417 Cb 0.05 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 2uuu h PHE 417 CO -0.11 0.60 0.09 0.22 -1.61 0.00 0.00 178.31 177.49 2uuu h ASP 418 N 1.01 0.19 -0.49 2.17 -0.00 -1.30 -2.23 116.42 115.77 2uuu h ASP 418 Ca 0.27 -0.06 0.03 0.00 -0.00 0.00 0.00 57.03 57.26 2uuu h ASP 418 Cb -0.10 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.15 2uuu h ASP 418 CO -0.06 0.19 0.28 0.40 -0.00 0.00 0.00 179.24 180.06 2uuu h ILE 419 N 0.16 1.04 -0.87 2.25 2.04 -1.10 -2.37 117.51 118.66 2uuu h ILE 419 Ca 0.05 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2uuu h ILE 419 Cb 0.04 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 2uuu h ILE 419 CO -0.01 0.10 0.56 -0.07 0.00 0.00 0.00 178.15 178.74 2uuu h LEU 420 N 0.57 0.81 -1.60 1.44 3.38 -1.06 -1.58 115.31 117.26 2uuu h LEU 420 Ca 0.20 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2uuu h LEU 420 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2uuu h LEU 420 CO -0.10 0.50 -0.05 0.77 0.09 0.00 0.00 178.44 179.65 2uuu h SER 421 N 0.91 0.00 0.20 -0.43 4.64 -0.87 -1.26 113.55 116.73 2uuu h SER 421 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2uuu h SER 421 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2uuu h SER 421 CO -0.15 0.05 -0.08 0.29 -0.87 0.00 0.00 176.83 176.06 2uuu n LYS 422 N -3.18 0.98 -1.16 4.77 5.02 -0.60 -3.75 118.16 120.24 2uuu n LYS 422 Ca -0.00 -0.39 -0.01 0.00 -2.02 0.00 0.00 58.31 55.89 2uuu n LYS 422 Cb 0.30 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.67 2.26 -1.73 4.39 3.02 -0.57 -5.00 115.26 116.96 2uuu n ASN 423 Ca 0.17 -3.47 -0.17 0.00 -0.03 0.00 0.00 54.58 51.07 2uuu n ASN 423 Cb 0.27 -0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.75 -0.37 -1.76 5.41 0.00 -1.16 -4.79 120.51 117.09 2uuu n ALA 424 Ca 0.21 0.24 -0.37 0.00 0.00 0.00 0.00 53.44 53.53 2uuu n ALA 424 Cb 0.83 -1.77 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.55 2.75 -0.21 0.00 0.00 -0.66 -4.50 121.76 116.59 2uuu s ALA 425 Ca 0.00 1.05 0.01 0.00 0.00 0.00 0.00 51.96 53.03 2uuu s ALA 425 Cb 0.00 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.71 2uuu s ALA 425 CO 0.00 -1.04 -0.12 0.12 0.00 0.00 0.00 175.76 174.73 2uuu s PHE 426 N -1.52 2.69 0.22 0.00 5.36 0.95 -4.76 117.98 120.92 2uuu s PHE 426 Ca 0.72 -1.80 -0.30 0.00 -0.96 0.00 0.00 56.93 54.58 2uuu s PHE 426 Cb -0.32 -1.75 -0.09 0.00 -0.34 0.00 0.00 43.02 40.51 2uuu s PHE 426 CO 0.37 -0.79 1.41 0.20 -1.46 0.00 0.00 175.22 174.94 2uuu s GLY 427 N 1.30 2.28 0.00 13.12 0.00 -1.26 -0.97 107.32 121.79 2uuu s GLY 427 Ca -0.03 1.25 0.15 0.00 0.00 0.00 0.00 44.72 46.09 2uuu s GLY 427 CO -0.08 2.25 1.11 1.04 0.00 0.00 0.00 173.10 177.42 2uuu n LEU 428 N 2.66 2.62 0.00 0.66 4.77 0.23 -4.94 117.00 123.01 2uuu n LEU 428 Ca 0.07 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.73 2uuu n LEU 428 Cb 0.41 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2uuu n LEU 428 CO 0.60 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 2uuu n GLY 429 N 0.89 -1.83 3.31 -0.72 0.00 -1.25 -4.81 105.19 100.78 2uuu n GLY 429 Ca 0.11 -1.37 -0.17 0.00 0.00 0.00 0.00 46.02 44.60 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 -4.00 2.28 0.10 1.61 1.04 -1.26 -2.25 113.70 111.21 2uuu s SER 430 Ca 0.00 -1.01 0.10 0.00 0.48 0.00 0.00 55.95 55.52 2uuu s SER 430 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 2uuu s SER 430 CO 0.00 -0.23 -0.26 0.00 0.98 0.00 0.00 173.24 173.73 2uuu s ALA 431 N -3.09 2.23 0.42 5.32 0.00 -1.25 -4.99 121.76 120.40 2uuu s ALA 431 Ca 0.20 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.54 2uuu s ALA 431 Cb 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 23.12 22.65 2uuu s ALA 431 CO 0.04 0.51 1.24 -2.30 0.00 0.00 0.00 175.76 175.25 2uuu n PRO 432 N 1.20 1.85 0.00 0.00 -0.02 -1.26 -4.66 135.00 132.11 2uuu n PRO 432 Ca -0.18 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2uuu n PRO 432 Cb 0.53 -2.35 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 0.85 1.39 0.89 -1.23 0.00 -1.26 -3.60 105.19 102.23 2uuu n GLY 433 Ca 0.07 -0.55 0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 2.91 2.13 -0.32 1.61 5.02 -1.26 -4.49 118.16 123.76 2uuu n LYS 434 Ca 0.00 -1.74 0.16 0.00 -2.02 0.00 0.00 58.31 54.70 2uuu n LYS 434 Cb 0.00 -1.41 0.35 0.00 -0.02 0.00 0.00 35.03 33.94 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 3.04 0.45 -0.65 -0.18 1.35 -1.85 -0.67 112.91 114.39 2uuu h THR 435 Ca 0.00 -0.14 0.09 0.00 -0.55 0.00 0.00 66.41 65.81 2uuu h THR 435 Cb 0.69 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.99 2uuu h THR 435 CO 0.00 0.07 -0.44 -0.50 -0.25 0.00 0.00 175.52 174.41 2uuu h TRP 436 N 0.41 -1.29 -0.45 4.73 4.06 -1.86 -2.33 115.95 119.22 2uuu h TRP 436 Ca 0.60 0.09 -0.01 0.00 2.06 0.00 0.00 58.89 61.63 2uuu h TRP 436 Cb 1.19 0.66 -0.01 0.00 -1.00 0.00 0.00 29.16 30.00 2uuu h TRP 436 CO -0.10 -0.42 0.01 0.00 -3.56 0.00 0.00 178.44 174.37 2uuu n ALA 437 N -3.19 3.60 0.08 1.49 0.00 -0.28 -3.81 120.51 118.39 2uuu n ALA 437 Ca 0.03 -1.48 0.11 0.00 0.00 0.00 0.00 53.44 52.10 2uuu n ALA 437 Cb 0.35 -1.10 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 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 0.45 0.61 -0.07 0.00 1.02 -0.88 -4.48 120.64 117.29 2uuu n GLU 438 Ca 0.22 -0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.36 2uuu n GLU 438 Cb 0.99 -1.59 0.50 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.00 0.40 -0.09 3.49 1.57 -1.66 -1.42 116.57 118.85 2uuu h LYS 439 Ca 0.00 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2uuu h LYS 439 Cb 0.97 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2uuu h LYS 439 CO 0.00 0.26 0.12 0.07 -0.57 0.00 0.00 179.45 179.33 2uuu h ARG 440 N 0.41 0.00 0.00 3.15 0.11 -1.85 -2.07 114.38 114.12 2uuu h ARG 440 Ca 0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.34 2uuu h ARG 440 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2uuu h ARG 440 CO -0.07 0.00 0.00 1.88 0.10 0.00 0.00 179.97 181.88 2uuu h TYR 441 N 0.00 0.00 0.00 4.08 0.99 -1.51 -2.89 116.97 117.65 2uuu h TYR 441 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 2uuu h TYR 441 Cb 0.28 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.01 2uuu h TYR 441 CO 0.00 0.00 -0.76 -0.25 -0.00 0.00 0.00 178.16 177.15 2uuu n ASP 442 N -2.76 0.63 -0.17 3.88 10.43 -0.78 -4.39 116.55 123.39 2uuu n ASP 442 Ca -0.00 -0.11 -0.01 0.00 2.57 0.00 0.00 54.79 57.24 2uuu n ASP 442 Cb 0.20 0.44 0.08 0.00 1.84 0.00 0.00 41.12 43.68 2uuu n ASP 442 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 2uuu h LEU 443 N 0.00 -0.04 -1.92 0.64 3.38 -1.63 -1.13 115.31 114.61 2uuu h LEU 443 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2uuu h LEU 443 Cb 0.68 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2uuu h LEU 443 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 178.44 180.08 2uuu h PRO 444 N 0.22 0.00 0.00 1.13 0.13 -1.81 -0.26 132.00 131.41 2uuu h PRO 444 Ca 0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.34 2uuu h PRO 444 Cb 0.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2uuu h PRO 444 CO -0.36 0.00 -0.28 1.88 -0.23 0.00 0.00 178.00 179.01 2uuu h TYR 445 N 0.00 0.00 -0.02 1.56 -1.99 -1.49 -2.71 116.97 112.32 2uuu h TYR 445 Ca 0.00 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 2uuu h TYR 445 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 2uuu h TYR 445 CO 0.00 0.28 -0.73 0.82 -0.00 0.00 0.00 178.16 178.53 2uuu h ILE 446 N 0.00 1.48 -0.61 -2.88 2.04 -1.09 -3.01 117.51 113.44 2uuu h ILE 446 Ca -0.00 -2.38 0.05 0.00 1.00 0.00 0.00 64.86 63.53 2uuu h ILE 446 Cb 0.64 2.28 -0.05 0.00 -0.74 0.00 0.00 36.82 38.96 2uuu h ILE 446 CO 0.04 0.69 0.34 -0.09 0.00 0.00 0.00 178.15 179.13 2uuu h ARG 447 N 0.08 0.64 -0.55 2.37 2.43 -1.41 -0.58 114.38 117.35 2uuu h ARG 447 Ca -0.02 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2uuu h ARG 447 Cb 1.29 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2uuu h ARG 447 CO 0.10 0.42 0.36 -0.44 -1.51 0.00 0.00 179.97 178.91 2uuu h ASP 448 N 0.66 0.62 -0.23 -3.80 3.32 -1.48 -1.13 116.42 114.38 2uuu h ASP 448 Ca 0.26 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 2uuu h ASP 448 Cb 0.12 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2uuu h ASP 448 CO -0.15 0.45 0.13 0.15 -1.72 0.00 0.00 179.24 178.10 2uuu h PHE 449 N 0.74 0.31 -0.57 4.55 3.04 -1.35 -1.41 116.94 122.24 2uuu h PHE 449 Ca 0.20 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.23 2uuu h PHE 449 Cb -0.08 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.26 2uuu h PHE 449 CO -0.04 0.26 0.21 -0.07 -2.02 0.00 0.00 178.31 176.65 2uuu h LEU 450 N 0.26 0.20 -1.56 0.59 3.38 -0.93 -1.86 115.31 115.40 2uuu h LEU 450 Ca 0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2uuu h LEU 450 Cb 0.06 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2uuu h LEU 450 CO -0.01 0.13 0.19 -0.07 0.09 0.00 0.00 178.44 178.76 2uuu h LEU 451 N 0.39 0.42 -0.11 1.67 3.38 -0.92 -0.11 115.31 120.04 2uuu h LEU 451 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2uuu h LEU 451 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2uuu h LEU 451 CO -0.29 0.35 0.00 0.47 0.09 0.00 0.00 178.44 179.06 2uuu n ASP 452 N -4.44 0.16 -2.47 -0.43 8.00 -0.56 -3.95 116.55 112.85 2uuu n ASP 452 Ca 0.02 0.53 -0.13 0.00 0.71 0.00 0.00 54.79 55.92 2uuu n ASP 452 Cb 0.10 -0.57 0.03 0.00 -0.02 0.00 0.00 41.12 40.66 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 -1.66 2.07 -2.14 1.24 8.25 -0.14 -0.64 115.22 122.20 2uuu n HIS 453 Ca 0.04 -2.39 -0.13 0.00 -0.26 0.00 0.00 57.72 54.99 2uuu n HIS 453 Cb 0.24 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.55 -4.09 -4.33 0.41 5.15 -1.07 -4.31 115.26 106.48 2uuu n ASN 454 Ca 0.25 0.03 -0.17 0.00 -0.60 0.00 0.00 54.58 54.08 2uuu n ASN 454 Cb 0.85 -3.22 -0.10 0.00 -0.53 0.00 0.00 39.78 36.78 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 -4.46 1.37 0.05 1.20 -1.94 -0.70 -1.63 119.30 113.18 2uuu s MET 455 Ca 0.00 -1.71 -0.10 0.00 -1.71 0.00 0.00 55.69 52.17 2uuu s MET 455 Cb 0.00 -0.50 0.01 0.00 2.01 0.00 0.00 34.83 36.35 2uuu s MET 455 CO 0.00 -0.17 0.22 1.67 -0.01 0.00 0.00 175.02 176.73 2uuu s TRP 456 N -3.53 0.03 -0.04 -0.03 1.48 -0.20 -3.31 118.94 113.34 2uuu s TRP 456 Ca 0.31 -0.27 -0.05 0.00 -1.06 0.00 0.00 56.10 55.04 2uuu s TRP 456 Cb 0.07 -0.01 0.01 0.00 -1.16 0.00 0.00 33.47 32.38 2uuu s TRP 456 CO 0.10 -0.46 0.12 0.54 -4.06 0.00 0.00 176.95 173.20 2uuu s VAL 457 N -2.74 0.02 0.25 -0.66 0.11 -1.26 -1.65 120.40 114.46 2uuu s VAL 457 Ca -0.04 -0.13 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2uuu s VAL 457 Cb -0.00 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2uuu s VAL 457 CO -0.05 -0.07 0.22 -0.62 -3.33 0.00 0.00 175.10 171.25 2uuu s ASP 458 N -0.19 0.66 0.10 3.54 3.68 -0.37 -4.89 116.67 119.20 2uuu s ASP 458 Ca -0.03 -1.48 0.05 0.00 2.13 0.00 0.00 52.55 53.22 2uuu s ASP 458 Cb -0.02 0.46 -0.04 0.00 -1.45 0.00 0.00 42.92 41.88 2uuu s ASP 458 CO 0.00 -0.95 -0.13 0.68 0.13 0.00 0.00 175.17 174.91 2uuu s VAL 459 N -3.87 1.14 -0.06 1.11 -7.23 -1.26 -1.66 120.40 108.58 2uuu s VAL 459 Ca 0.38 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 2uuu s VAL 459 Cb 0.05 -1.37 0.03 0.00 0.56 0.00 0.00 36.38 35.65 2uuu s VAL 459 CO 0.17 -0.43 0.12 0.00 -0.31 0.00 0.00 175.10 174.66 2uuu s ALA 460 N -2.08 -0.21 -0.04 1.32 0.00 -0.42 -5.00 121.76 115.34 2uuu s ALA 460 Ca 0.05 0.59 0.06 0.00 0.00 0.00 0.00 51.96 52.66 2uuu s ALA 460 Cb -0.05 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2uuu s ALA 460 CO 0.02 -0.14 -0.22 -2.00 0.00 0.00 0.00 175.76 173.42 2uuu s GLU 461 N 1.06 2.04 0.00 0.00 2.12 -1.26 0.33 118.70 122.99 2uuu s GLU 461 Ca -0.08 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.34 2uuu s GLU 461 Cb -0.11 -1.84 0.01 0.00 0.26 0.00 0.00 34.13 32.46 2uuu s GLU 461 CO -0.05 0.40 0.24 -0.08 -0.54 0.00 0.00 175.26 175.23 2uuu s THR 462 N -0.28 0.07 -0.21 -1.70 -1.32 -0.03 -4.17 115.64 108.00 2uuu s THR 462 Ca 0.02 -0.60 -0.16 0.00 -1.21 0.00 0.00 61.69 59.74 2uuu s THR 462 Cb -0.11 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.24 2uuu s THR 462 CO 0.01 -0.33 0.41 -0.89 -2.21 0.00 0.00 174.62 171.61 2uuu s THR 463 N -1.54 5.18 0.03 5.08 2.01 -1.26 -0.28 115.64 124.87 2uuu s THR 463 Ca -0.13 0.71 0.03 0.00 0.31 0.00 0.00 61.69 62.62 2uuu s THR 463 Cb -0.05 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2uuu s THR 463 CO 0.02 0.22 -0.09 0.54 -0.69 0.00 0.00 174.62 174.62 2uuu s VAL 464 N 1.49 0.72 0.74 3.82 0.11 -0.84 -1.45 120.40 124.99 2uuu s VAL 464 Ca 0.19 -0.85 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 2uuu s VAL 464 Cb -0.15 -0.69 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2uuu s VAL 464 CO 0.08 -0.12 1.09 -0.94 -3.33 0.00 0.00 175.10 171.88 2uuu s SER 465 N -1.08 4.73 0.37 3.54 1.04 -1.26 -1.53 113.70 119.52 2uuu s SER 465 Ca -0.03 1.84 0.05 0.00 0.48 0.00 0.00 55.95 58.30 2uuu s SER 465 Cb -0.07 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.26 2uuu s SER 465 CO 0.01 -1.88 2.01 1.88 0.98 0.00 0.00 173.24 176.23 2uuu h TYR 466 N -0.81 0.70 -1.00 5.02 -1.99 -1.55 -1.20 116.97 116.14 2uuu h TYR 466 Ca -0.44 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.36 2uuu h TYR 466 Cb 1.23 -0.23 -0.07 0.00 2.00 0.00 0.00 36.73 39.66 2uuu h TYR 466 CO 0.57 0.42 0.65 0.00 -0.00 0.00 0.00 178.16 179.80 2uuu h ALA 467 N 1.64 1.39 -0.02 3.88 0.00 -1.93 -3.07 119.26 121.16 2uuu h ALA 467 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2uuu h ALA 467 Cb 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2uuu h ALA 467 CO -0.06 0.47 -0.10 0.09 0.00 0.00 0.00 179.25 179.65 2uuu n ASN 468 N -4.48 2.34 0.31 0.00 3.02 -1.06 -4.75 115.26 110.64 2uuu n ASN 468 Ca 0.15 -1.67 -0.15 0.00 -0.03 0.00 0.00 54.58 52.87 2uuu n ASN 468 Cb 0.16 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 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 3.22 -0.68 -0.79 3.41 5.85 -1.12 -1.96 115.31 123.24 2uuu h LEU 469 Ca 0.00 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2uuu h LEU 469 Cb 0.73 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 2uuu h LEU 469 CO 0.00 -0.35 -0.51 1.56 -0.34 0.00 0.00 178.44 178.80 2uuu h GLN 470 N -1.02 0.00 -0.12 1.25 4.20 -1.85 -0.38 115.11 117.19 2uuu h GLN 470 Ca -0.08 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.42 2uuu h GLN 470 Cb 0.67 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.46 2uuu h GLN 470 CO 0.13 0.51 -0.74 1.79 -0.67 0.00 0.00 178.83 179.86 2uuu h THR 471 N 0.00 1.30 -0.23 -0.54 1.35 -1.87 -2.42 112.91 110.49 2uuu h THR 471 Ca -0.01 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.88 2uuu h THR 471 Cb 1.03 2.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.55 2uuu h THR 471 CO 0.07 0.61 0.14 0.25 -0.25 0.00 0.00 175.52 176.34 2uuu h LEU 472 N 0.40 0.28 -0.08 3.87 5.85 -1.01 -1.14 115.31 123.48 2uuu h LEU 472 Ca -0.06 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2uuu h LEU 472 Cb 1.38 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2uuu h LEU 472 CO 0.15 0.26 -0.20 -0.25 -0.34 0.00 0.00 178.44 178.06 2uuu h TRP 473 N 0.28 -0.53 0.06 1.25 7.01 -1.12 -0.06 115.95 122.83 2uuu h TRP 473 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2uuu h TRP 473 Cb 0.03 0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 2uuu h TRP 473 CO -0.04 -0.28 -0.03 -0.22 -2.79 0.00 0.00 178.44 175.08 2uuu h LYS 474 N -0.28 -0.07 -0.38 2.65 3.64 -1.40 -2.65 116.57 118.07 2uuu h LYS 474 Ca 0.08 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2uuu h LYS 474 Cb 0.40 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2uuu h LYS 474 CO -0.25 0.18 0.24 0.22 -2.27 0.00 0.00 179.45 177.57 2uuu h ASP 475 N -0.32 0.41 -0.10 4.20 1.82 -1.16 -1.60 116.42 119.68 2uuu h ASP 475 Ca -0.01 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 2uuu h ASP 475 Cb 0.28 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 40.19 2uuu h ASP 475 CO 0.01 0.30 0.05 0.00 -1.61 0.00 0.00 179.24 177.99 2uuu h ALA 476 N 1.15 0.13 -0.63 -0.78 0.00 -1.04 0.11 119.26 118.21 2uuu h ALA 476 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2uuu h ALA 476 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2uuu h ALA 476 CO -0.04 -0.31 0.33 0.87 0.00 0.00 0.00 179.25 180.09 2uuu h LYS 477 N 0.05 0.88 -0.33 0.00 1.57 -1.41 -1.56 116.57 115.77 2uuu h LYS 477 Ca 0.04 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2uuu h LYS 477 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2uuu h LYS 477 CO -0.00 0.69 0.11 1.96 -0.57 0.00 0.00 179.45 181.63 2uuu h GLN 478 N 0.86 0.52 -0.63 3.15 4.20 -1.14 -2.84 115.11 119.22 2uuu h GLN 478 Ca 0.22 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2uuu h GLN 478 Cb 0.07 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2uuu h GLN 478 CO -0.03 0.55 0.37 1.15 -0.67 0.00 0.00 178.83 180.19 2uuu h THR 479 N 0.38 1.19 -0.04 -0.54 2.02 -0.62 -1.41 112.91 113.89 2uuu h THR 479 Ca 0.11 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 2uuu h THR 479 Cb 0.24 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2uuu h THR 479 CO -0.00 0.20 0.00 0.15 0.37 0.00 0.00 175.52 176.24 2uuu h PHE 480 N 0.86 0.07 -0.35 3.16 3.57 -1.27 -1.39 116.94 121.59 2uuu h PHE 480 Ca 0.23 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 2uuu h PHE 480 Cb 0.00 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 2uuu h PHE 480 CO -0.01 0.32 0.01 0.28 -2.23 0.00 0.00 178.31 176.67 2uuu h VAL 481 N -0.20 1.26 -0.89 1.41 2.07 -1.49 -2.93 116.25 115.47 2uuu h VAL 481 Ca 0.01 -0.95 0.07 0.00 0.82 0.00 0.00 66.70 66.65 2uuu h VAL 481 Cb 0.29 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2uuu h VAL 481 CO 0.00 0.32 0.58 0.50 0.02 0.00 0.00 177.57 178.99 2uuu h LYS 482 N 0.42 0.96 0.32 1.57 1.63 -1.24 -0.75 116.57 119.48 2uuu h LYS 482 Ca 0.10 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 2uuu h LYS 482 Cb 0.44 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2uuu h LYS 482 CO 0.02 0.63 -0.16 1.25 -3.45 0.00 0.00 179.45 177.73 2uuu h HIS 483 N 0.98 -0.42 -0.01 1.91 2.76 -1.06 -2.49 115.15 116.82 2uuu h HIS 483 Ca 0.39 -0.01 -0.22 0.00 -2.20 0.00 0.00 60.37 58.33 2uuu h HIS 483 Cb 0.24 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2uuu h HIS 483 CO -0.00 -0.26 -0.90 0.74 -1.30 0.00 0.00 177.93 176.21 2uuu h PHE 484 N -0.44 0.59 -0.37 5.26 -1.00 -1.47 -3.28 116.94 116.22 2uuu h PHE 484 Ca -0.04 -0.31 0.04 0.00 2.81 0.00 0.00 57.97 60.47 2uuu h PHE 484 Cb 0.35 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 2uuu h PHE 484 CO -0.06 1.12 0.16 -0.22 -1.61 0.00 0.00 178.31 177.69 2uuu h LYS 485 N 0.23 0.32 0.00 1.51 3.64 -1.07 -0.78 116.57 120.43 2uuu h LYS 485 Ca -0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2uuu h LYS 485 Cb 1.53 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 2uuu h LYS 485 CO 0.16 0.21 0.00 -0.44 -2.27 0.00 0.00 179.45 177.11 2uuu h ASP 486 N 0.33 0.00 -0.12 4.20 3.32 -1.51 0.33 116.42 122.97 2uuu h ASP 486 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 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 -0.15 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 2uuu n GLN 487 N -2.84 2.07 -2.93 3.56 6.02 -0.53 -4.96 117.38 117.77 2uuu n GLN 487 Ca -0.02 -1.57 -0.10 0.00 -0.01 0.00 0.00 57.00 55.30 2uuu n GLN 487 Cb 0.09 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 1.29 0.31 2.93 1.08 0.00 0.12 -5.06 105.19 105.87 2uuu n GLY 488 Ca 0.17 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.14 0.72 0.40 -0.61 1.01 -0.41 -5.01 121.20 114.17 2uuu s ILE 489 Ca 0.23 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.40 2uuu s ILE 489 Cb -0.10 -0.71 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 2uuu s ILE 489 CO 0.30 0.27 1.09 -2.16 0.00 0.00 0.00 174.94 174.44 2uuu s PRO 490 N 0.85 4.12 0.04 2.79 0.04 -1.26 -3.09 135.00 138.49 2uuu s PRO 490 Ca -0.12 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2uuu s PRO 490 Cb -0.15 -2.59 0.04 0.00 0.04 0.00 0.00 34.50 31.85 2uuu s PRO 490 CO 0.01 -0.20 0.44 0.00 0.04 0.00 0.00 177.00 177.29 2uuu s ALA 491 N -1.57 -1.10 -0.01 8.56 0.00 -1.26 -3.90 121.76 122.48 2uuu s ALA 491 Ca 0.58 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2uuu s ALA 491 Cb -0.25 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.21 2uuu s ALA 491 CO 0.31 -0.46 0.03 -0.46 0.00 0.00 0.00 175.76 175.18 2uuu s TRP 492 N -2.40 -0.00 -0.09 0.00 -0.00 0.21 -4.91 118.94 111.76 2uuu s TRP 492 Ca -0.06 0.01 -0.05 0.00 -0.00 0.00 0.00 56.10 56.00 2uuu s TRP 492 Cb -0.01 -0.01 0.03 0.00 -0.00 0.00 0.00 33.47 33.48 2uuu s TRP 492 CO -0.02 -0.04 0.21 -1.50 -0.00 0.00 0.00 176.95 175.60 2uuu s ILE 493 N -0.19 -0.03 0.43 5.86 2.07 -1.26 -0.13 121.20 127.96 2uuu s ILE 493 Ca -0.02 0.10 0.04 0.00 -1.41 0.00 0.00 60.65 59.36 2uuu s ILE 493 Cb -0.02 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 2uuu s ILE 493 CO -0.00 0.04 0.14 0.00 -1.91 0.00 0.00 174.94 173.21 2uuu s ALA 495 N -3.15 -1.74 0.06 0.00 0.00 -1.26 -0.93 121.76 114.74 2uuu s ALA 495 Ca 0.20 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.25 2uuu s ALA 495 Cb 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 2uuu s ALA 495 CO 0.14 -0.46 0.11 -3.38 0.00 0.00 0.00 175.76 172.18 2uuu s HIS 496 N -1.77 0.25 -0.20 0.00 -3.43 -0.41 -1.24 115.29 108.47 2uuu s HIS 496 Ca -0.08 -0.66 -0.04 0.00 -0.80 0.00 0.00 55.06 53.48 2uuu s HIS 496 Cb -0.00 -0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 30.97 2uuu s HIS 496 CO 0.04 -0.45 -0.02 0.42 -2.00 0.00 0.00 174.74 172.73 2uuu s ILE 497 N -3.47 3.66 -0.15 -5.38 1.01 0.27 -1.23 121.20 115.91 2uuu s ILE 497 Ca 0.02 -0.41 0.18 0.00 0.00 0.00 0.00 60.65 60.44 2uuu s ILE 497 Cb 0.04 -2.65 -0.26 0.00 0.01 0.00 0.00 42.46 39.60 2uuu s ILE 497 CO -0.09 0.43 0.16 -1.54 0.00 0.00 0.00 174.94 173.90 2uuu n SER 498 N 4.44 0.27 -3.88 3.58 3.41 -1.13 -1.47 113.62 118.84 2uuu n SER 498 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.32 2uuu n SER 498 Cb 0.51 1.20 -0.11 0.00 -0.26 0.00 0.00 64.21 65.56 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 -2.69 0.04 0.11 7.33 3.76 -1.26 -4.71 115.29 117.87 2uuu s HIS 499 Ca -0.09 -0.10 0.08 0.00 -0.15 0.00 0.00 55.06 54.80 2uuu s HIS 499 Cb 0.07 -0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 2uuu s HIS 499 CO 0.80 -0.23 -0.20 0.95 -0.85 0.00 0.00 174.74 175.21 2uuu s THR 500 N -1.13 1.69 0.38 1.30 -4.23 -1.26 -0.51 115.64 111.89 2uuu s THR 500 Ca -0.12 -1.61 0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2uuu s THR 500 Cb -0.07 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2uuu s THR 500 CO 0.01 -0.13 0.15 -0.31 -0.54 0.00 0.00 174.62 173.80 2uuu s TYR 501 N -1.37 1.76 0.24 3.99 1.51 0.11 -4.96 117.35 118.62 2uuu s TYR 501 Ca 0.08 -1.33 -0.06 0.00 -1.01 0.00 0.00 57.07 54.76 2uuu s TYR 501 Cb -0.09 -1.07 0.44 0.00 -0.11 0.00 0.00 41.96 41.13 2uuu s TYR 501 CO 0.05 -0.38 1.70 1.15 -1.11 0.00 0.00 175.55 176.95 2uuu h THR 502 N 1.90 0.56 0.00 -0.71 2.02 -2.01 -3.07 112.91 111.60 2uuu h THR 502 Ca -0.34 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2uuu h THR 502 Cb 1.26 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2uuu h THR 502 CO 0.54 0.05 -0.25 -3.20 0.37 0.00 0.00 175.52 173.04 2uuu n ASN 503 N -5.12 1.16 -2.17 4.18 5.15 -1.26 -5.04 115.26 112.16 2uuu n ASN 503 Ca 0.13 -2.53 -0.02 0.00 -0.60 0.00 0.00 54.58 51.56 2uuu n ASN 503 Cb 0.43 -0.31 0.01 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.71 1.06 3.16 8.20 0.00 -1.16 -1.34 105.19 114.40 2uuu n GLY 504 Ca 0.08 -1.07 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.35 0.42 -0.32 1.61 -7.23 -0.58 0.04 120.40 111.99 2uuu s VAL 505 Ca 0.11 -1.90 -0.18 0.00 -1.81 0.00 0.00 61.98 58.20 2uuu s VAL 505 Cb -0.02 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.11 2uuu s VAL 505 CO 0.04 -0.74 0.50 0.00 -0.31 0.00 0.00 175.10 174.59 2uuu s LEU 507 N 2.35 3.57 -0.15 0.00 2.96 0.62 -2.82 118.68 125.20 2uuu s LEU 507 Ca 0.19 0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2uuu s LEU 507 Cb -0.15 -1.84 0.04 0.00 0.50 0.00 0.00 46.19 44.73 2uuu s LEU 507 CO 0.12 0.30 -0.06 -0.47 -1.32 0.00 0.00 176.35 174.92 2uuu s TYR 508 N -0.42 1.68 -0.14 5.38 6.14 -0.37 -0.85 117.35 128.77 2uuu s TYR 508 Ca 0.08 -1.02 -0.10 0.00 0.64 0.00 0.00 57.07 56.68 2uuu s TYR 508 Cb -0.12 -1.31 -0.05 0.00 0.42 0.00 0.00 41.96 40.90 2uuu s TYR 508 CO 0.02 -0.60 0.18 -0.06 0.64 0.00 0.00 175.55 175.74 2uuu s PHE 509 N 1.64 3.54 -0.19 4.97 0.40 0.15 -1.29 117.98 127.20 2uuu s PHE 509 Ca 0.02 0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.87 2uuu s PHE 509 Cb -0.15 -2.09 0.01 0.00 0.51 0.00 0.00 43.02 41.31 2uuu s PHE 509 CO -0.08 0.53 -0.17 0.42 0.70 0.00 0.00 175.22 176.62 2uuu s ILE 510 N -0.42 2.33 -0.04 0.64 1.01 -0.11 -1.29 121.20 123.32 2uuu s ILE 510 Ca 0.14 -0.85 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2uuu s ILE 510 Cb -0.12 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2uuu s ILE 510 CO 0.03 0.52 -0.11 0.72 0.00 0.00 0.00 174.94 176.10 2uuu s PHE 511 N 1.30 1.16 0.05 3.97 -0.71 -0.67 0.00 117.98 123.09 2uuu s PHE 511 Ca 0.05 -0.33 0.03 0.00 -1.04 0.00 0.00 56.93 55.64 2uuu s PHE 511 Cb -0.13 -0.83 -0.03 0.00 -1.21 0.00 0.00 43.02 40.82 2uuu s PHE 511 CO -0.10 -0.15 -0.10 0.00 -1.34 0.00 0.00 175.22 173.53 2uuu s ALA 512 N 0.29 0.79 0.07 1.99 0.00 0.82 -1.24 121.76 124.49 2uuu s ALA 512 Ca -0.06 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 2uuu s ALA 512 Cb -0.11 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.00 2uuu s ALA 512 CO 0.01 0.06 0.13 0.45 0.00 0.00 0.00 175.76 176.41 2uuu n SER 513 N 1.46 -0.37 -4.83 0.00 2.88 -0.66 -0.62 113.62 111.49 2uuu n SER 513 Ca -0.22 -1.33 -0.36 0.00 -1.33 0.00 0.00 58.87 55.63 2uuu n SER 513 Cb 0.55 0.63 -0.06 0.00 -0.75 0.00 0.00 64.21 64.58 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 4.13 0.50 -1.46 -0.14 -1.25 -1.04 119.74 118.41 2uuu s LYS 514 Ca 0.04 0.71 -0.21 0.00 -1.36 0.00 0.00 55.97 55.15 2uuu s LYS 514 Cb -0.01 -2.90 -0.07 0.00 -1.68 0.00 0.00 37.83 33.18 2uuu s LYS 514 CO 0.03 0.43 1.14 -0.65 -0.76 0.00 0.00 175.35 175.54 2uuu s GLN 515 N -1.96 3.56 0.00 1.68 -0.21 -0.65 -4.80 119.66 117.27 2uuu s GLN 515 Ca 0.41 1.66 0.00 0.00 0.02 0.00 0.00 55.36 57.44 2uuu s GLN 515 Cb -0.16 -2.18 0.00 0.00 1.00 0.00 0.00 33.01 31.67 2uuu s GLN 515 CO 0.20 -0.69 0.00 0.27 -2.12 0.00 0.00 175.29 172.95 2uuu n ASN 516 N -0.94 -0.14 -0.93 5.90 6.94 -1.26 -4.93 115.26 119.90 2uuu n ASN 516 Ca 0.10 -0.51 0.02 0.00 -0.02 0.00 0.00 54.58 54.17 2uuu n ASN 516 Cb 0.50 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.14 2uuu n ASN 516 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2uuu n GLU 517 N -0.65 2.18 0.00 -3.83 1.02 -1.26 -5.14 120.64 112.96 2uuu n GLU 517 Ca 0.00 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.14 2uuu n GLU 517 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 2uuu n GLU 517 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2uuu n TYR 524 N -0.93 0.00 -0.11 -0.32 0.53 -1.26 -5.35 117.16 109.72 2uuu n TYR 524 Ca 0.27 0.00 -0.05 0.00 -1.02 0.00 0.00 57.90 57.09 2uuu n TYR 524 Cb 0.93 0.00 0.01 0.00 -1.03 0.00 0.00 39.34 39.25 2uuu n TYR 524 CO 0.00 0.00 0.00 0.97 -1.02 0.00 0.00 176.86 176.81 2uuu h ILE 525 N 0.00 0.59 0.00 -0.72 2.10 -2.05 -0.49 117.51 116.95 2uuu h ILE 525 Ca 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.81 2uuu h ILE 525 Cb 0.00 0.59 -0.02 0.00 -1.09 0.00 0.00 36.82 36.31 2uuu h ILE 525 CO 0.00 0.00 -0.61 1.05 -1.08 0.00 0.00 178.15 177.51 2uuu h GLU 526 N -0.02 0.00 -0.25 2.19 4.11 -2.05 -1.78 114.58 116.78 2uuu h GLU 526 Ca 0.18 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 2uuu h GLU 526 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2uuu h GLU 526 CO -0.39 0.61 -0.33 0.00 0.07 0.00 0.00 179.01 178.96 2uuu h ALA 527 N 1.39 0.38 -0.49 1.06 0.00 -1.95 -1.71 119.26 117.94 2uuu h ALA 527 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2uuu h ALA 527 Cb 1.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2uuu h ALA 527 CO 0.08 0.43 -0.02 -0.22 0.00 0.00 0.00 179.25 179.51 2uuu h LYS 528 N 0.38 0.83 -0.08 0.00 3.64 -1.08 -2.36 116.57 117.91 2uuu h LYS 528 Ca 0.03 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2uuu h LYS 528 Cb 0.92 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2uuu h LYS 528 CO 0.08 0.85 0.02 -0.22 -2.27 0.00 0.00 179.45 177.91 2uuu h LYS 529 N 0.77 0.13 -0.40 1.90 3.64 -1.27 -1.73 116.57 119.60 2uuu h LYS 529 Ca 0.14 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.58 2uuu h LYS 529 Cb 0.50 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.21 2uuu h LYS 529 CO 0.03 0.29 -0.19 1.25 -2.27 0.00 0.00 179.45 178.55 2uuu h LEU 530 N -0.06 -0.66 -0.87 5.20 6.46 -1.12 -0.55 115.31 123.71 2uuu h LEU 530 Ca 0.03 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 2uuu h LEU 530 Cb 0.22 0.36 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 2uuu h LEU 530 CO -0.00 -0.23 0.50 0.24 -0.62 0.00 0.00 178.44 178.33 2uuu h MET 531 N -0.12 1.20 -0.20 1.25 2.86 -1.31 -2.82 114.93 115.78 2uuu h MET 531 Ca 0.20 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2uuu h MET 531 Cb 0.42 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2uuu h MET 531 CO -0.48 0.86 0.12 1.15 1.06 0.00 0.00 176.91 179.63 2uuu h THR 532 N 1.20 1.08 -0.88 2.22 2.02 -0.71 -2.56 112.91 115.28 2uuu h THR 532 Ca 0.31 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 2uuu h THR 532 Cb -0.01 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 2uuu h THR 532 CO -0.05 0.07 0.48 0.44 0.37 0.00 0.00 175.52 176.83 2uuu h ASP 533 N 0.24 1.11 0.13 4.18 3.32 -0.88 -1.83 116.42 122.70 2uuu h ASP 533 Ca 0.07 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 2uuu h ASP 533 Cb 0.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 2uuu h ASP 533 CO -0.01 0.90 -0.64 0.16 -1.72 0.00 0.00 179.24 177.92 2uuu h ILE 534 N 1.24 1.34 -0.15 0.35 3.07 -1.50 -2.34 117.51 119.52 2uuu h ILE 534 Ca 0.31 -1.96 -0.01 0.00 1.55 0.00 0.00 64.86 64.75 2uuu h ILE 534 Cb 0.04 1.94 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2uuu h ILE 534 CO -0.05 0.60 0.05 0.40 -1.05 0.00 0.00 178.15 178.10 2uuu h ILE 535 N 0.36 1.18 -0.93 0.16 2.04 -1.18 -2.41 117.51 116.72 2uuu h ILE 535 Ca -0.01 -0.56 0.09 0.00 1.00 0.00 0.00 64.86 65.39 2uuu h ILE 535 Cb 1.20 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 2uuu h ILE 535 CO 0.12 0.17 0.60 0.15 0.00 0.00 0.00 178.15 179.18 2uuu h PHE 536 N 0.07 1.03 -0.49 1.37 3.57 -1.35 -0.26 116.94 120.88 2uuu h PHE 536 Ca 0.05 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.63 2uuu h PHE 536 Cb 0.22 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 2uuu h PHE 536 CO -0.00 0.48 0.22 -0.22 -2.23 0.00 0.00 178.31 176.56 2uuu h LYS 537 N 0.96 0.42 -0.51 1.11 1.63 -1.17 -2.31 116.57 116.71 2uuu h LYS 537 Ca 0.43 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.21 2uuu h LYS 537 Cb 0.38 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 2uuu h LYS 537 CO -0.19 0.28 0.00 0.66 -3.45 0.00 0.00 179.45 176.75 2uuu n TYR 538 N -4.93 0.73 -1.33 1.91 4.02 -0.88 -4.91 117.16 111.77 2uuu n TYR 538 Ca 0.04 -0.33 -0.09 0.00 -0.01 0.00 0.00 57.90 57.51 2uuu n TYR 538 Cb 0.15 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.04 1.03 3.76 2.72 0.00 -0.83 -4.85 105.19 108.07 2uuu n GLY 539 Ca 0.15 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.88 3.00 0.47 -0.02 0.00 -0.17 -4.84 107.32 102.89 2uuu s GLY 540 Ca 0.00 1.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.51 2uuu s GLY 540 CO 0.00 1.63 1.41 -1.35 0.00 0.00 0.00 173.10 174.79 2uuu s SER 541 N -0.80 5.73 -0.46 1.64 1.04 -0.53 -4.39 113.70 115.95 2uuu s SER 541 Ca 0.48 2.87 -0.17 0.00 0.48 0.00 0.00 55.95 59.62 2uuu s SER 541 Cb -0.34 -2.65 0.04 0.00 0.10 0.00 0.00 66.02 63.17 2uuu s SER 541 CO 0.45 -1.27 0.46 -0.76 0.98 0.00 0.00 173.24 173.10 2uuu s LEU 542 N -2.92 5.13 -0.26 2.42 1.43 -1.26 -4.24 118.68 118.99 2uuu s LEU 542 Ca 0.64 -0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 2uuu s LEU 542 Cb -0.43 -2.32 0.13 0.00 0.03 0.00 0.00 46.19 43.60 2uuu s LEU 542 CO 0.54 -0.66 0.34 -0.94 0.23 0.00 0.00 176.35 175.85 2uuu s SER 543 N 2.24 0.79 0.00 2.29 1.04 -1.26 -5.13 113.70 113.67 2uuu s SER 543 Ca 0.10 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2uuu s SER 543 Cb -0.20 0.85 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2uuu s SER 543 CO 0.11 -0.33 0.00 -1.14 0.98 0.00 0.00 173.24 172.85 2uuu n ARG 562 N 5.34 0.00 0.00 4.02 0.00 -1.26 -4.91 116.66 119.86 2uuu n ARG 562 Ca -0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.85 57.91 2uuu n ARG 562 Cb 0.49 0.00 0.51 0.00 0.00 0.00 0.00 32.46 33.46 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 -0.96 0.22 5.14 0.00 -1.26 -3.44 105.19 104.89 2uuu n GLY 563 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.53 1.61 4.06 -2.06 -3.19 115.95 115.84 2uuu h TRP 564 Ca 0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 2uuu h TRP 564 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.09 2uuu h TRP 564 CO 0.00 0.00 0.16 0.82 -3.56 0.00 0.00 178.44 175.86 2uuu h ILE 565 N 0.00 0.77 -0.22 1.49 2.04 -1.99 0.96 117.51 120.55 2uuu h ILE 565 Ca 0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 2uuu h ILE 565 Cb 0.61 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2uuu h ILE 565 CO 0.00 0.06 -0.22 0.78 0.00 0.00 0.00 178.15 178.77 2uuu h ASN 566 N 0.32 0.40 -0.00 1.72 2.35 -1.85 0.74 115.58 119.25 2uuu h ASN 566 Ca 0.26 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2uuu h ASN 566 Cb 0.32 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2uuu h ASN 566 CO -0.30 0.63 0.00 0.58 -1.65 0.00 0.00 177.43 176.70 2uuu h VAL 567 N 0.37 1.19 -0.11 2.81 2.07 -1.42 -2.07 116.25 119.09 2uuu h VAL 567 Ca 0.06 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2uuu h VAL 567 Cb 0.59 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 2uuu h VAL 567 CO 0.04 0.14 0.04 0.22 0.02 0.00 0.00 177.57 178.03 2uuu h TYR 568 N -0.23 0.18 -0.95 1.57 5.03 -0.62 -1.44 116.97 120.52 2uuu h TYR 568 Ca 0.00 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.44 2uuu h TYR 568 Cb 0.23 -0.05 -0.08 0.00 1.55 0.00 0.00 36.73 38.38 2uuu h TYR 568 CO 0.00 0.30 0.60 0.00 -1.32 0.00 0.00 178.16 177.75 2uuu h ARG 569 N 0.00 0.77 0.02 1.82 3.08 -0.91 0.28 114.38 119.45 2uuu h ARG 569 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2uuu h ARG 569 Cb 0.21 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2uuu h ARG 569 CO -0.00 0.51 -0.01 0.66 -1.07 0.00 0.00 179.97 180.06 2uuu h SER 570 N 0.79 -0.03 -0.40 7.04 4.64 -1.01 0.24 113.55 124.83 2uuu h SER 570 Ca 0.48 -0.29 0.08 0.00 -0.47 0.00 0.00 61.79 61.60 2uuu h SER 570 Cb 0.69 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.71 2uuu h SER 570 CO -0.25 0.27 -0.10 -0.07 -0.87 0.00 0.00 176.83 175.81 2uuu h LEU 571 N -0.33 -0.38 -0.37 5.97 3.38 -0.55 -0.61 115.31 122.43 2uuu h LEU 571 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2uuu h LEU 571 Cb 0.31 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2uuu h LEU 571 CO 0.01 -0.13 0.23 0.50 0.09 0.00 0.00 178.44 179.13 2uuu h LYS 572 N 0.00 0.49 -0.30 1.13 1.63 -0.35 0.15 116.57 119.32 2uuu h LYS 572 Ca 0.19 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.91 2uuu h LYS 572 Cb 0.30 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2uuu h LYS 572 CO -0.42 0.35 -0.03 0.93 -3.45 0.00 0.00 179.45 176.84 2uuu h GLU 573 N 0.49 0.46 0.00 1.90 5.08 -0.24 0.14 114.58 122.42 2uuu h GLU 573 Ca 0.13 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2uuu h GLU 573 Cb -0.02 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2uuu h GLU 573 CO -0.03 0.51 -0.15 1.15 -1.00 0.00 0.00 179.01 179.50 2uuu h THR 574 N 0.45 1.61 -0.07 1.13 2.02 -0.63 -3.13 112.91 114.28 2uuu h THR 574 Ca 0.10 -1.98 -0.20 0.00 0.77 0.00 0.00 66.41 65.10 2uuu h THR 574 Cb 0.34 2.90 -0.00 0.00 -1.74 0.00 0.00 68.15 69.65 2uuu h THR 574 CO 0.01 0.53 -0.77 0.40 0.37 0.00 0.00 175.52 176.06 2uuu h ILE 575 N -0.66 1.37 -2.05 3.11 2.04 -0.69 -3.39 117.51 117.24 2uuu h ILE 575 Ca -0.02 -2.18 -0.57 0.00 1.00 0.00 0.00 64.86 63.09 2uuu h ILE 575 Cb 0.95 2.15 -0.40 0.00 -0.74 0.00 0.00 36.82 38.78 2uuu h ILE 575 CO 0.03 0.66 -0.97 -0.67 0.00 0.00 0.00 178.15 177.20 2uuu n ASP 576 N -3.83 1.18 -0.21 1.72 2.03 0.49 -3.31 116.55 114.61 2uuu n ASP 576 Ca -0.05 -2.91 0.05 0.00 0.52 0.00 0.00 54.79 52.40 2uuu n ASP 576 Cb 0.73 -0.65 0.31 0.00 -0.72 0.00 0.00 41.12 40.79 2uuu n ASP 576 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2uuu h PRO 577 N 4.02 0.84 -0.00 -0.67 0.11 -1.68 -0.69 132.00 133.93 2uuu h PRO 577 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2uuu h PRO 577 Cb 0.82 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.74 2uuu h PRO 577 CO 0.56 0.55 -0.04 1.63 -0.21 0.00 0.00 178.00 180.50 2uuu n LYS 578 N -4.47 0.95 -3.52 1.05 5.02 -1.26 -4.95 118.16 110.98 2uuu n LYS 578 Ca 0.11 -0.25 -0.21 0.00 -2.02 0.00 0.00 58.31 55.94 2uuu n LYS 578 Cb 0.17 -1.49 0.08 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.81 -4.45 0.07 4.39 4.64 -0.27 -4.91 116.55 115.22 2uuu n ASP 579 Ca 0.19 -0.58 0.12 0.00 -1.38 0.00 0.00 54.79 53.14 2uuu n ASP 579 Cb 0.23 -5.08 0.11 0.00 -1.04 0.00 0.00 41.12 35.34 2uuu n ASP 579 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 2uuu h ILE 580 N -2.35 0.00 -2.98 5.18 3.07 -1.88 -3.41 117.51 115.14 2uuu h ILE 580 Ca -0.58 -0.64 -0.63 0.00 1.55 0.00 0.00 64.86 64.56 2uuu h ILE 580 Cb 1.36 1.18 -0.14 0.00 -0.27 0.00 0.00 36.82 38.95 2uuu h ILE 580 CO 0.53 0.00 0.47 0.00 -1.05 0.00 0.00 178.15 178.10 2uuu n ASN 582 N 7.35 -3.35 -4.76 0.00 5.15 -0.53 -4.31 115.26 114.82 2uuu n ASN 582 Ca -0.02 -1.05 -0.38 0.00 -0.60 0.00 0.00 54.58 52.53 2uuu n ASN 582 Cb 0.46 -1.28 0.03 0.00 -0.53 0.00 0.00 39.78 38.46 2uuu n ASN 582 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 2uuu s PRO 583 N -6.87 3.35 0.40 1.20 0.02 -1.26 -4.67 135.00 127.17 2uuu s PRO 583 Ca 0.38 2.12 0.23 0.00 0.02 0.00 0.00 61.00 63.75 2uuu s PRO 583 Cb -0.21 -2.33 0.38 0.00 0.02 0.00 0.00 34.50 32.37 2uuu s PRO 583 CO 0.79 -0.99 1.61 0.00 -0.33 0.00 0.00 177.00 178.08 2uuu h ARG 584 N 1.69 0.00 0.00 5.54 -0.00 -1.96 -3.45 114.38 116.20 2uuu h ARG 584 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2uuu h ARG 584 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.25 2uuu h ARG 584 CO 0.58 0.00 0.00 1.63 0.00 0.00 0.00 179.97 182.18