#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmp s SER -6 N 0.00 4.54 -0.04 -3.46 1.04 -1.26 -5.02 113.70 109.50 1xmp s SER -6 Ca 0.00 1.22 0.21 0.00 0.48 0.00 0.00 55.95 57.86 1xmp s SER -6 Cb 0.00 -1.94 0.40 0.00 0.10 0.00 0.00 66.02 64.58 1xmp s SER -6 CO 0.00 -1.93 1.17 0.00 0.98 0.00 0.00 173.24 173.46 1xmp n HIS -5 N -3.40 0.00 0.03 5.02 1.44 -1.26 -4.83 115.22 112.22 1xmp n HIS -5 Ca 0.07 -0.66 0.21 0.00 -2.01 0.00 0.00 57.72 55.33 1xmp n HIS -5 Cb 0.57 -0.16 0.72 0.00 0.12 0.00 0.00 29.99 31.24 1xmp n HIS -5 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1xmp h HIS -4 N 0.91 0.00 -0.00 -1.40 -0.00 -1.97 -1.51 115.15 111.18 1xmp h HIS -4 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 1xmp h HIS -4 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.09 1xmp h HIS -4 CO 0.28 0.00 -0.01 -2.39 -0.00 0.00 0.00 177.93 175.81 1xmp n HIS -3 N -4.14 0.00 -4.04 2.45 1.44 -1.26 -4.59 115.22 105.08 1xmp n HIS -3 Ca 0.09 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.49 1xmp n HIS -3 Cb 0.61 -0.24 -0.15 0.00 0.12 0.00 0.00 29.99 30.32 1xmp n HIS -3 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1xmp s HIS -2 N -2.50 3.58 0.42 -1.40 4.02 -0.57 -4.98 115.29 113.87 1xmp s HIS -2 Ca 0.31 -2.75 0.09 0.00 1.02 0.00 0.00 55.06 53.73 1xmp s HIS -2 Cb 0.20 -2.55 0.93 0.00 -1.02 0.00 0.00 32.58 30.14 1xmp s HIS -2 CO 0.45 -0.92 2.05 0.45 1.02 0.00 0.00 174.74 177.79 1xmp h HIS -1 N 7.67 0.45 0.00 1.40 -0.00 -1.82 -1.56 115.15 121.30 1xmp h HIS -1 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1xmp h HIS -1 Cb 1.03 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1xmp h HIS -1 CO 0.53 0.27 0.00 -2.39 -0.00 0.00 0.00 177.93 176.34 1xmp n HIS 0 N -4.48 0.00 0.83 2.45 -0.00 -1.26 -2.40 115.22 110.36 1xmp n HIS 0 Ca 0.04 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.85 1xmp n HIS 0 Cb 0.13 -0.42 0.01 0.00 -0.00 0.00 0.00 29.99 29.72 1xmp n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 1xmp n MET 1 N -1.42 1.54 -2.62 -1.40 0.00 -0.59 -4.73 117.12 107.90 1xmp n MET 1 Ca 0.07 -1.03 -0.40 0.00 0.00 0.00 0.00 57.70 56.33 1xmp n MET 1 Cb 0.21 -1.36 -0.05 0.00 0.00 0.00 0.00 33.22 32.02 1xmp n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1xmp s LYS 2 N -2.04 4.72 0.16 0.03 1.02 -1.01 -4.80 119.74 117.82 1xmp s LYS 2 Ca 0.17 1.62 -0.34 0.00 0.02 0.00 0.00 55.97 57.44 1xmp s LYS 2 Cb 0.15 -3.27 -0.14 0.00 -0.52 0.00 0.00 37.83 34.05 1xmp s LYS 2 CO 0.43 0.30 1.52 0.43 -0.92 0.00 0.00 175.35 177.12 1xmp n SER 3 N 1.76 2.86 -0.03 2.83 7.64 -1.26 -4.72 113.62 122.69 1xmp n SER 3 Ca -0.00 1.10 0.02 0.00 1.01 0.00 0.00 58.87 60.99 1xmp n SER 3 Cb 0.46 -1.40 -0.12 0.00 -1.01 0.00 0.00 64.21 62.15 1xmp n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xmp n LEU 4 N 3.14 0.00 -4.08 -3.43 4.77 -0.56 -3.91 117.00 112.93 1xmp n LEU 4 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 1xmp n LEU 4 Cb 0.28 0.14 -0.16 0.00 -2.33 0.00 0.00 43.42 41.35 1xmp n LEU 4 CO 0.63 0.14 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.67 1xmp s VAL 5 N -2.79 1.19 -0.21 4.08 1.01 -1.21 -0.47 120.40 122.01 1xmp s VAL 5 Ca -0.06 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 1xmp s VAL 5 Cb 0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.38 1xmp s VAL 5 CO 0.62 0.35 0.06 -0.83 0.00 0.00 0.00 175.10 175.30 1xmp s GLY 6 N 0.19 1.82 -0.28 4.51 0.00 -0.69 -1.69 107.32 111.18 1xmp s GLY 6 Ca -0.06 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 1xmp s GLY 6 CO 0.02 0.26 0.01 0.14 0.00 0.00 0.00 173.10 173.53 1xmp s VAL 7 N 0.94 3.37 0.19 1.40 1.01 0.21 -0.11 120.40 127.41 1xmp s VAL 7 Ca 0.03 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.11 1xmp s VAL 7 Cb -0.14 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1xmp s VAL 7 CO 0.03 0.09 -0.10 0.27 0.00 0.00 0.00 175.10 175.38 1xmp s ILE 8 N 1.39 1.37 -0.08 2.22 -4.36 0.24 -1.23 121.20 120.75 1xmp s ILE 8 Ca 0.00 -2.11 -0.30 0.00 -0.26 0.00 0.00 60.65 57.97 1xmp s ILE 8 Cb -0.17 -2.02 0.08 0.00 1.25 0.00 0.00 42.46 41.59 1xmp s ILE 8 CO -0.01 -0.61 0.72 0.00 0.24 0.00 0.00 174.94 175.28 1xmp s MET 9 N -3.73 0.99 0.44 0.37 0.23 -1.03 -1.45 119.30 115.13 1xmp s MET 9 Ca 0.21 0.30 0.24 0.00 -1.03 0.00 0.00 55.69 55.41 1xmp s MET 9 Cb 0.02 0.47 0.93 0.00 -1.53 0.00 0.00 34.83 34.72 1xmp s MET 9 CO 0.04 -0.30 1.83 0.78 -2.03 0.00 0.00 175.02 175.35 1xmp h GLY 10 N 3.10 0.00 -3.13 3.16 0.00 -1.56 0.31 103.07 104.95 1xmp h GLY 10 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1xmp h GLY 10 CO 0.36 0.00 -0.39 -1.35 0.00 0.00 0.00 176.54 175.16 1xmp s SER 11 N -6.21 0.14 0.37 0.19 1.04 -1.26 -4.31 113.70 103.65 1xmp s SER 11 Ca 0.00 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 55.82 1xmp s SER 11 Cb 0.10 0.34 0.73 0.00 0.10 0.00 0.00 66.02 67.29 1xmp s SER 11 CO 0.64 -0.73 1.90 0.71 0.98 0.00 0.00 173.24 176.73 1xmp h THR 12 N 2.76 1.19 0.00 2.02 1.35 -2.00 -1.72 112.91 116.50 1xmp h THR 12 Ca -0.34 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 1xmp h THR 12 Cb 1.20 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1xmp h THR 12 CO 0.56 0.26 -0.05 0.77 -0.25 0.00 0.00 175.52 176.81 1xmp h SER 13 N 0.30 0.00 0.28 5.36 4.64 -2.00 -1.68 113.55 120.44 1xmp h SER 13 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1xmp h SER 13 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1xmp h SER 13 CO 0.02 0.05 0.00 0.44 -0.87 0.00 0.00 176.83 176.47 1xmp h ASP 14 N 0.00 0.00 -0.26 4.97 3.32 -1.72 -3.03 116.42 119.70 1xmp h ASP 14 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1xmp h ASP 14 Cb 0.10 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1xmp h ASP 14 CO 0.01 0.00 0.13 -0.25 -1.72 0.00 0.00 179.24 177.40 1xmp h TRP 15 N 0.00 0.41 -0.70 4.55 -0.00 -1.41 0.20 115.95 119.00 1xmp h TRP 15 Ca 0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.02 1xmp h TRP 15 Cb 0.14 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.12 1xmp h TRP 15 CO 0.00 0.32 0.47 0.93 -0.00 0.00 0.00 178.44 180.17 1xmp h GLU 16 N 0.42 0.36 0.07 2.65 4.39 -1.73 -0.24 114.58 120.51 1xmp h GLU 16 Ca 0.11 -0.02 -0.24 0.00 0.34 0.00 0.00 59.36 59.54 1xmp h GLU 16 Cb 0.08 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1xmp h GLU 16 CO -0.01 0.24 -1.26 1.15 -1.16 0.00 0.00 179.01 177.97 1xmp h THR 17 N 0.37 1.05 0.00 1.13 2.02 -1.48 -3.41 112.91 112.60 1xmp h THR 17 Ca 0.34 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1xmp h THR 17 Cb 0.81 2.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1xmp h THR 17 CO -0.10 0.60 0.00 0.24 0.37 0.00 0.00 175.52 176.63 1xmp h MET 18 N -0.54 0.00 -0.51 6.66 2.86 -0.46 -3.06 114.93 119.88 1xmp h MET 18 Ca -0.29 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.49 1xmp h MET 18 Cb 1.57 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1xmp h MET 18 CO -0.02 0.00 0.37 1.57 1.06 0.00 0.00 176.91 179.89 1xmp h LYS 19 N 0.00 0.04 -0.69 1.72 2.10 -1.28 -2.66 116.57 115.80 1xmp h LYS 19 Ca 0.00 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.59 1xmp h LYS 19 Cb 0.70 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.99 1xmp h LYS 19 CO 0.00 0.02 0.19 1.88 -2.00 0.00 0.00 179.45 179.54 1xmp h TYR 20 N 0.04 1.14 -0.66 0.07 -1.99 -1.82 -0.56 116.97 113.20 1xmp h TYR 20 Ca 0.24 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.86 1xmp h TYR 20 Cb 0.92 -0.33 -0.04 0.00 2.00 0.00 0.00 36.73 39.29 1xmp h TYR 20 CO -0.00 0.93 0.43 0.00 -0.00 0.00 0.00 178.16 179.51 1xmp h ALA 21 N 1.09 0.85 -0.45 3.88 0.00 -1.29 -2.73 119.26 120.60 1xmp h ALA 21 Ca 0.22 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1xmp h ALA 21 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1xmp h ALA 21 CO -0.00 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 179.41 1xmp h ASP 23 N 0.71 0.88 -0.37 0.00 3.32 -0.87 0.13 116.42 120.22 1xmp h ASP 23 Ca 0.13 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1xmp h ASP 23 Cb 0.54 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1xmp h ASP 23 CO 0.03 0.63 0.19 0.40 -1.72 0.00 0.00 179.24 178.76 1xmp h ILE 24 N 1.04 1.16 -0.65 0.35 1.08 -1.27 -0.50 117.51 118.71 1xmp h ILE 24 Ca 0.30 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1xmp h ILE 24 Cb -0.08 0.78 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 1xmp h ILE 24 CO -0.08 0.17 0.28 -0.07 -0.69 0.00 0.00 178.15 177.76 1xmp h LEU 25 N 0.46 0.88 0.06 1.44 3.38 -1.01 -0.77 115.31 119.76 1xmp h LEU 25 Ca 0.13 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1xmp h LEU 25 Cb 0.10 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1xmp h LEU 25 CO -0.02 0.80 -0.24 0.44 0.09 0.00 0.00 178.44 179.50 1xmp h ASP 26 N 0.91 -0.70 -0.97 -0.43 3.32 -0.82 -0.10 116.42 117.63 1xmp h ASP 26 Ca 0.22 0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.54 1xmp h ASP 26 Cb 0.17 0.28 -0.10 0.00 0.22 0.00 0.00 39.33 39.90 1xmp h ASP 26 CO -0.02 -0.32 0.57 -0.08 -1.72 0.00 0.00 179.24 177.66 1xmp h GLU 27 N -0.42 0.72 -0.22 3.56 4.81 -0.76 -1.33 114.58 120.94 1xmp h GLU 27 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1xmp h GLU 27 Cb 0.47 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1xmp h GLU 27 CO -0.17 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 179.86 1xmp n LEU 28 N -4.79 2.10 -3.46 1.64 4.77 -0.32 -4.94 117.00 112.00 1xmp n LEU 28 Ca 0.22 -0.89 -0.25 0.00 -0.03 0.00 0.00 56.01 55.06 1xmp n LEU 28 Cb 0.53 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1xmp n LEU 28 CO 0.21 0.44 0.11 0.59 -1.33 0.00 0.00 177.39 177.42 1xmp n ASN 29 N 0.61 -5.72 -4.62 -1.43 3.02 -0.26 -4.97 115.26 101.89 1xmp n ASN 29 Ca 0.17 -0.50 -0.38 0.00 -0.03 0.00 0.00 54.58 53.84 1xmp n ASN 29 Cb 0.40 -4.56 -0.09 0.00 -0.61 0.00 0.00 39.78 34.91 1xmp n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xmp s ILE 30 N -3.23 5.25 0.30 2.41 1.01 -0.22 -5.03 121.20 121.69 1xmp s ILE 30 Ca 0.50 0.41 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 1xmp s ILE 30 Cb -0.23 -3.62 -0.10 0.00 0.01 0.00 0.00 42.46 38.52 1xmp s ILE 30 CO 0.62 0.24 1.23 -2.16 0.00 0.00 0.00 174.94 174.87 1xmp s PRO 31 N 1.65 4.46 0.25 2.79 0.04 -1.26 -4.49 135.00 138.44 1xmp s PRO 31 Ca 0.12 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.09 1xmp s PRO 31 Cb -0.15 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.26 1xmp s PRO 31 CO 0.09 -0.05 0.48 1.52 0.04 0.00 0.00 177.00 179.08 1xmp s TYR 32 N -1.02 0.37 0.11 0.56 1.13 -1.26 -1.50 117.35 115.74 1xmp s TYR 32 Ca 0.48 -0.73 0.07 0.00 -1.41 0.00 0.00 57.07 55.49 1xmp s TYR 32 Cb -0.37 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 1xmp s TYR 32 CO 0.47 -1.01 -0.18 -1.83 -2.51 0.00 0.00 175.55 170.49 1xmp s GLU 33 N -3.98 1.09 -0.05 -3.49 -1.05 -0.68 -4.83 118.70 105.71 1xmp s GLU 33 Ca 0.22 -1.19 0.02 0.00 -0.15 0.00 0.00 54.97 53.87 1xmp s GLU 33 Cb -0.01 -1.22 0.01 0.00 -0.44 0.00 0.00 34.13 32.48 1xmp s GLU 33 CO 0.09 0.27 -0.09 -1.59 0.95 0.00 0.00 175.26 174.89 1xmp s LYS 34 N -2.18 1.24 -0.01 -4.83 -2.85 -1.26 -0.62 119.74 109.24 1xmp s LYS 34 Ca 0.07 -0.28 -0.14 0.00 -1.00 0.00 0.00 55.97 54.62 1xmp s LYS 34 Cb -0.08 -1.10 0.02 0.00 -2.06 0.00 0.00 37.83 34.61 1xmp s LYS 34 CO 0.04 0.01 0.28 0.15 0.10 0.00 0.00 175.35 175.94 1xmp s LYS 35 N 0.64 0.66 -0.24 1.78 -0.14 -0.37 -4.99 119.74 117.09 1xmp s LYS 35 Ca -0.11 -0.26 -0.26 0.00 -1.36 0.00 0.00 55.97 53.98 1xmp s LYS 35 Cb -0.14 0.29 -0.00 0.00 -1.68 0.00 0.00 37.83 36.30 1xmp s LYS 35 CO 0.02 -0.18 0.88 0.08 -0.76 0.00 0.00 175.35 175.39 1xmp s VAL 36 N -1.48 4.80 -0.14 3.17 1.01 -1.26 -2.46 120.40 124.05 1xmp s VAL 36 Ca -0.13 1.68 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 1xmp s VAL 36 Cb -0.05 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1xmp s VAL 36 CO 0.03 -0.09 0.05 -0.69 0.00 0.00 0.00 175.10 174.40 1xmp s VAL 37 N 2.89 0.17 -0.22 2.92 1.01 0.10 -4.91 120.40 122.36 1xmp s VAL 37 Ca 0.37 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1xmp s VAL 37 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1xmp s VAL 37 CO 0.07 -0.09 0.08 -0.55 0.00 0.00 0.00 175.10 174.61 1xmp s SER 38 N 2.03 5.48 0.36 3.32 0.15 -1.26 -3.34 113.70 120.45 1xmp s SER 38 Ca 0.02 -0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.68 1xmp s SER 38 Cb -0.15 -1.96 0.68 0.00 -1.71 0.00 0.00 66.02 62.88 1xmp s SER 38 CO -0.07 0.07 1.98 0.00 1.20 0.00 0.00 173.24 176.42 1xmp h ALA 39 N 7.44 1.52 0.00 5.45 0.00 -1.90 -0.86 119.26 130.91 1xmp h ALA 39 Ca -0.37 -0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.10 1xmp h ALA 39 Cb 1.17 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1xmp h ALA 39 CO 0.64 0.39 -2.30 0.72 0.00 0.00 0.00 179.25 178.69 1xmp n HIS 40 N -4.40 0.00 -0.02 0.00 8.25 -1.26 -3.65 115.22 114.14 1xmp n HIS 40 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1xmp n HIS 40 Cb 0.12 -0.93 -0.13 0.00 1.12 0.00 0.00 29.99 30.16 1xmp n HIS 40 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1xmp n ARG 41 N -2.75 0.65 -3.11 -0.41 1.74 -1.23 -4.53 116.66 107.02 1xmp n ARG 41 Ca -0.32 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.54 1xmp n ARG 41 Cb 1.10 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.88 1xmp n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xmp n THR 42 N -2.62 1.10 -0.31 0.55 -2.24 -0.33 -4.98 114.28 105.45 1xmp n THR 42 Ca -0.14 -4.95 -0.03 0.00 -2.27 0.00 0.00 64.05 56.65 1xmp n THR 42 Cb 0.83 -0.83 0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1xmp n THR 42 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1xmp h PRO 43 N 3.08 1.20 -0.45 -0.78 0.13 -1.62 -1.43 132.00 132.15 1xmp h PRO 43 Ca 0.11 -0.14 -0.11 0.00 -0.87 0.00 0.00 66.00 64.98 1xmp h PRO 43 Cb 0.78 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1xmp h PRO 43 CO 0.63 0.89 -0.17 -0.44 -0.23 0.00 0.00 178.00 178.67 1xmp h ASP 44 N 1.20 0.92 -0.74 1.44 3.32 -1.89 -2.14 116.42 118.53 1xmp h ASP 44 Ca 0.30 -0.39 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1xmp h ASP 44 Cb 0.04 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1xmp h ASP 44 CO -0.05 1.10 0.35 0.22 -1.72 0.00 0.00 179.24 179.14 1xmp h TYR 45 N 0.74 1.08 -0.10 4.55 3.20 -1.86 -1.05 116.97 123.53 1xmp h TYR 45 Ca 0.11 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1xmp h TYR 45 Cb 0.73 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1xmp h TYR 45 CO 0.05 0.79 0.06 1.98 -1.64 0.00 0.00 178.16 179.41 1xmp h MET 46 N 1.07 0.14 -0.61 1.82 4.05 -0.97 0.88 114.93 121.31 1xmp h MET 46 Ca 0.26 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.68 1xmp h MET 46 Cb 0.13 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1xmp h MET 46 CO -0.03 0.12 0.39 0.74 0.23 0.00 0.00 176.91 178.36 1xmp h PHE 47 N 0.11 0.74 -0.47 1.39 -1.00 -1.08 -0.93 116.94 115.70 1xmp h PHE 47 Ca 0.04 0.02 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1xmp h PHE 47 Cb 0.02 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.30 1xmp h PHE 47 CO -0.06 0.44 0.28 0.93 -1.61 0.00 0.00 178.31 178.30 1xmp h GLU 48 N 0.78 0.56 -0.09 1.51 5.08 -0.97 -0.08 114.58 121.38 1xmp h GLU 48 Ca 0.23 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1xmp h GLU 48 Cb -0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1xmp h GLU 48 CO -0.07 0.37 -0.00 -0.92 -1.00 0.00 0.00 179.01 177.39 1xmp h TYR 49 N 0.57 -0.00 -0.11 4.33 5.03 -0.36 -2.27 116.97 124.15 1xmp h TYR 49 Ca 0.18 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1xmp h TYR 49 Cb -0.01 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1xmp h TYR 49 CO -0.06 -0.01 0.05 0.00 -1.32 0.00 0.00 178.16 176.82 1xmp h ALA 50 N 1.07 0.14 -0.69 1.82 0.00 -1.05 -2.60 119.26 117.96 1xmp h ALA 50 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1xmp h ALA 50 Cb 0.05 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 1xmp h ALA 50 CO -0.07 -0.28 0.26 0.93 0.00 0.00 0.00 179.25 180.09 1xmp h GLU 51 N 0.04 0.41 -0.01 0.00 5.08 -0.93 -3.00 114.58 116.17 1xmp h GLU 51 Ca 0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xmp h GLU 51 Cb 0.14 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xmp h GLU 51 CO -0.00 0.27 -0.30 0.25 -1.00 0.00 0.00 179.01 178.23 1xmp n THR 52 N -5.00 0.00 -0.14 1.13 -2.24 -0.86 -4.44 114.28 102.73 1xmp n THR 52 Ca 0.12 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 1xmp n THR 52 Cb 0.35 0.63 0.05 0.00 -2.10 0.00 0.00 70.33 69.26 1xmp n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xmp h ALA 53 N 3.78 0.47 -0.33 6.98 0.00 -1.31 -2.01 119.26 126.84 1xmp h ALA 53 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1xmp h ALA 53 Cb 0.58 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1xmp h ALA 53 CO 0.00 -0.36 -0.32 -0.09 0.00 0.00 0.00 179.25 178.48 1xmp h ARG 54 N 0.16 0.80 -0.46 0.00 2.43 -1.78 -2.14 114.38 113.38 1xmp h ARG 54 Ca 0.23 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1xmp h ARG 54 Cb 0.33 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1xmp h ARG 54 CO -0.35 1.05 0.31 0.93 -1.51 0.00 0.00 179.97 180.40 1xmp h GLU 55 N 0.57 0.54 0.00 0.20 5.08 -1.80 -0.82 114.58 118.35 1xmp h GLU 55 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xmp h GLU 55 Cb 0.90 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1xmp h GLU 55 CO 0.08 0.36 0.00 0.54 -1.00 0.00 0.00 179.01 178.99 1xmp n ARG 56 N -4.47 0.72 -0.67 2.33 1.74 -0.77 -4.91 116.66 110.62 1xmp n ARG 56 Ca 0.05 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 1xmp n ARG 56 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1xmp n ARG 56 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmp n GLY 57 N 0.76 0.76 3.78 -0.13 0.00 -0.31 -4.83 105.19 105.22 1xmp n GLY 57 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1xmp n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xmp s LEU 58 N 0.00 4.35 -0.11 0.99 1.43 -0.84 -4.58 118.68 119.92 1xmp s LEU 58 Ca 0.00 2.96 0.15 0.00 -1.03 0.00 0.00 54.13 56.21 1xmp s LEU 58 Cb 0.00 -3.66 -0.22 0.00 0.03 0.00 0.00 46.19 42.34 1xmp s LEU 58 CO 0.00 -0.79 0.16 0.29 0.23 0.00 0.00 176.35 176.24 1xmp n LYS 59 N 0.61 1.12 -3.80 1.70 4.76 0.38 -4.46 118.16 118.47 1xmp n LYS 59 Ca 0.01 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.27 1xmp n LYS 59 Cb 0.40 -1.41 -0.12 0.00 -1.84 0.00 0.00 35.03 32.06 1xmp n LYS 59 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xmp s VAL 60 N -2.64 -0.00 -0.13 -0.18 1.01 -1.12 -4.14 120.40 113.20 1xmp s VAL 60 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xmp s VAL 60 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.12 1xmp s VAL 60 CO 0.67 0.00 -0.08 -0.63 0.00 0.00 0.00 175.10 175.06 1xmp s ILE 61 N 0.12 3.49 -0.23 2.22 1.01 -0.87 -1.71 121.20 125.23 1xmp s ILE 61 Ca -0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1xmp s ILE 61 Cb -0.02 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1xmp s ILE 61 CO 0.00 0.52 0.06 -0.63 0.00 0.00 0.00 174.94 174.89 1xmp s ILE 62 N 0.14 4.32 -0.09 2.92 1.01 0.85 -0.78 121.20 129.56 1xmp s ILE 62 Ca -0.04 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.45 1xmp s ILE 62 Cb -0.14 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1xmp s ILE 62 CO 0.04 0.37 -0.11 0.00 0.00 0.00 0.00 174.94 175.24 1xmp s ALA 63 N 1.35 1.35 -0.04 9.38 0.00 0.22 -0.59 121.76 133.43 1xmp s ALA 63 Ca 0.05 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1xmp s ALA 63 Cb -0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1xmp s ALA 63 CO 0.03 -0.11 -0.07 0.20 0.00 0.00 0.00 175.76 175.82 1xmp s GLY 64 N 1.09 1.72 -0.07 0.00 0.00 -0.53 -1.03 107.32 108.50 1xmp s GLY 64 Ca -0.06 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 1xmp s GLY 64 CO -0.02 -0.76 0.71 0.00 0.00 0.00 0.00 173.10 173.04 1xmp s ALA 65 N -0.89 -1.78 0.24 3.20 0.00 -0.84 -3.37 121.76 118.32 1xmp s ALA 65 Ca 0.14 1.38 0.09 0.00 0.00 0.00 0.00 51.96 53.58 1xmp s ALA 65 Cb -0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1xmp s ALA 65 CO 0.04 -0.36 -0.14 0.20 0.00 0.00 0.00 175.76 175.50 1xmp s GLY 66 N -1.09 1.65 0.00 0.00 0.00 -1.26 -1.25 107.32 105.37 1xmp s GLY 66 Ca -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.84 1xmp s GLY 66 CO 0.09 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.96 1xmp n GLY 67 N -0.50 1.44 3.57 0.20 0.00 -1.26 -3.85 105.19 104.79 1xmp n GLY 67 Ca -0.07 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1xmp n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmp s ALA 68 N -1.94 2.68 -0.94 4.61 0.00 -1.26 -2.70 121.76 122.20 1xmp s ALA 68 Ca 0.00 -2.45 -0.18 0.00 0.00 0.00 0.00 51.96 49.34 1xmp s ALA 68 Cb 0.00 -4.62 0.15 0.00 0.00 0.00 0.00 23.12 18.65 1xmp s ALA 68 CO 0.00 -3.94 1.10 0.00 0.00 0.00 0.00 175.76 172.92 1xmp s ALA 69 N 6.45 3.51 -0.55 0.00 0.00 -1.25 -4.80 121.76 125.12 1xmp s ALA 69 Ca 0.57 -2.89 0.22 0.00 0.00 0.00 0.00 51.96 49.85 1xmp s ALA 69 Cb 0.01 -3.98 -0.26 0.00 0.00 0.00 0.00 23.12 18.89 1xmp s ALA 69 CO 0.04 -2.87 0.72 0.72 0.00 0.00 0.00 175.76 174.37 1xmp n HIS 70 N 6.12 0.02 0.02 0.00 8.25 -1.26 -4.12 115.22 124.25 1xmp n HIS 70 Ca 0.24 0.01 -0.10 0.00 -0.26 0.00 0.00 57.72 57.60 1xmp n HIS 70 Cb 0.48 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 1xmp n HIS 70 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1xmp h LEU 71 N 0.00 -0.48 -0.47 2.41 5.85 -1.92 -1.55 115.31 119.15 1xmp h LEU 71 Ca 0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1xmp h LEU 71 Cb 0.73 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.94 1xmp h LEU 71 CO 0.00 -0.21 0.23 -0.65 -0.34 0.00 0.00 178.44 177.47 1xmp h PRO 72 N -0.22 0.44 -0.51 5.25 0.11 -1.84 -1.85 132.00 133.38 1xmp h PRO 72 Ca 0.08 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 1xmp h PRO 72 Cb 0.33 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 1xmp h PRO 72 CO -0.21 0.29 -0.16 0.78 -0.21 0.00 0.00 178.00 178.49 1xmp h GLY 73 N 0.45 1.08 1.82 -0.55 0.00 -1.81 -1.03 103.07 103.04 1xmp h GLY 73 Ca 0.21 -0.91 -0.16 0.00 0.00 0.00 0.00 47.33 46.47 1xmp h GLY 73 CO -0.15 0.83 -0.72 -0.33 0.00 0.00 0.00 176.54 176.17 1xmp h MET 74 N 0.88 0.17 -0.30 4.80 2.86 -1.18 -0.84 114.93 121.32 1xmp h MET 74 Ca 0.13 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1xmp h MET 74 Cb 0.73 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1xmp h MET 74 CO 0.06 0.81 0.01 0.28 1.06 0.00 0.00 176.91 179.13 1xmp h VAL 75 N 0.11 1.25 -0.26 -2.22 2.07 -1.25 -2.98 116.25 112.98 1xmp h VAL 75 Ca -0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1xmp h VAL 75 Cb 1.27 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1xmp h VAL 75 CO 0.11 0.29 0.17 0.00 0.02 0.00 0.00 177.57 178.16 1xmp h ALA 76 N 0.84 1.82 0.00 1.67 0.00 -0.98 -0.31 119.26 122.30 1xmp h ALA 76 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xmp h ALA 76 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xmp h ALA 76 CO 0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1xmp h ALA 77 N 1.84 1.00 -0.01 0.00 0.00 -1.00 -3.27 119.26 117.82 1xmp h ALA 77 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xmp h ALA 77 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xmp h ALA 77 CO -0.02 0.00 -0.05 1.63 0.00 0.00 0.00 179.25 180.81 1xmp n LYS 78 N -2.67 0.96 -3.85 0.00 4.76 -0.19 -4.99 118.16 112.18 1xmp n LYS 78 Ca 0.01 -0.69 -0.11 0.00 -2.87 0.00 0.00 58.31 54.65 1xmp n LYS 78 Cb 0.26 -1.05 -0.09 0.00 -1.84 0.00 0.00 35.03 32.31 1xmp n LYS 78 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1xmp s THR 79 N -0.73 0.09 -1.96 -0.18 -1.32 -0.85 -4.06 115.64 106.62 1xmp s THR 79 Ca 0.06 -0.72 0.21 0.00 -1.21 0.00 0.00 61.69 60.03 1xmp s THR 79 Cb 0.05 -0.58 0.62 0.00 -1.51 0.00 0.00 72.50 71.08 1xmp s THR 79 CO 0.11 -0.40 1.51 0.59 -2.21 0.00 0.00 174.62 174.23 1xmp n ASN 80 N 1.23 3.76 -4.76 8.08 4.13 -1.26 -4.66 115.26 121.77 1xmp n ASN 80 Ca -0.22 -2.02 -0.35 0.00 1.68 0.00 0.00 54.58 53.67 1xmp n ASN 80 Cb 0.56 -0.47 0.02 0.00 -1.54 0.00 0.00 39.78 38.36 1xmp n ASN 80 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xmp s LEU 81 N -1.03 3.68 0.28 3.41 1.43 -1.26 -4.98 118.68 120.20 1xmp s LEU 81 Ca 0.47 2.30 -0.29 0.00 -1.03 0.00 0.00 54.13 55.57 1xmp s LEU 81 Cb 0.24 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.77 1xmp s LEU 81 CO 0.31 -1.48 1.39 -2.16 0.23 0.00 0.00 176.35 174.64 1xmp s PRO 82 N -3.35 4.30 -0.13 1.29 0.05 -1.26 -4.90 135.00 131.00 1xmp s PRO 82 Ca 0.75 2.27 0.02 0.00 0.05 0.00 0.00 61.00 64.09 1xmp s PRO 82 Cb -0.28 -3.10 0.01 0.00 0.05 0.00 0.00 34.50 31.19 1xmp s PRO 82 CO 0.31 -0.34 -0.19 0.08 0.05 0.00 0.00 177.00 176.91 1xmp s VAL 83 N -0.42 1.83 -0.20 -0.36 1.01 -1.26 -2.05 120.40 118.95 1xmp s VAL 83 Ca 0.55 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1xmp s VAL 83 Cb -0.41 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1xmp s VAL 83 CO 0.47 0.51 0.06 -0.63 0.00 0.00 0.00 175.10 175.50 1xmp s ILE 84 N 0.87 4.56 -0.20 2.22 1.01 0.04 -0.60 121.20 129.09 1xmp s ILE 84 Ca -0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1xmp s ILE 84 Cb -0.15 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 1xmp s ILE 84 CO -0.01 0.42 -0.02 -0.83 0.00 0.00 0.00 174.94 174.49 1xmp s GLY 85 N 0.80 1.67 -0.35 6.18 0.00 0.82 -0.61 107.32 115.82 1xmp s GLY 85 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.61 1xmp s GLY 85 CO 0.02 0.26 0.19 0.14 0.00 0.00 0.00 173.10 173.72 1xmp s VAL 86 N 1.10 4.62 -0.14 1.40 1.01 -0.20 -2.08 120.40 126.11 1xmp s VAL 86 Ca 0.02 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1xmp s VAL 86 Cb -0.15 -3.50 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1xmp s VAL 86 CO 0.01 -0.14 1.34 -2.84 0.00 0.00 0.00 175.10 173.47 1xmp s PRO 87 N 1.58 4.22 0.17 2.72 0.02 -1.26 -1.99 135.00 140.47 1xmp s PRO 87 Ca 0.03 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 1xmp s PRO 87 Cb -0.18 -3.81 -0.08 0.00 0.02 0.00 0.00 34.50 30.45 1xmp s PRO 87 CO 0.07 -0.73 0.86 0.08 -0.33 0.00 0.00 177.00 176.94 1xmp s VAL 88 N 3.59 4.31 -0.56 3.83 1.01 -0.38 -0.64 120.40 131.56 1xmp s VAL 88 Ca 0.58 1.89 -0.27 0.00 0.00 0.00 0.00 61.98 64.18 1xmp s VAL 88 Cb -0.24 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1xmp s VAL 88 CO 0.18 0.47 1.76 -1.58 0.00 0.00 0.00 175.10 175.93 1xmp s GLN 89 N -0.91 2.89 0.68 2.72 0.74 -1.26 -4.33 119.66 120.19 1xmp s GLN 89 Ca 0.39 0.71 -0.11 0.00 0.05 0.00 0.00 55.36 56.40 1xmp s GLN 89 Cb -0.24 -4.30 0.00 0.00 1.10 0.00 0.00 33.01 29.57 1xmp s GLN 89 CO 0.28 -2.42 1.06 -1.54 -0.55 0.00 0.00 175.29 172.12 1xmp s SER 90 N 6.98 5.48 0.03 6.67 1.04 -1.26 -4.70 113.70 127.92 1xmp s SER 90 Ca 0.66 1.61 -0.30 0.00 0.48 0.00 0.00 55.95 58.40 1xmp s SER 90 Cb -0.14 -2.49 -0.17 0.00 0.10 0.00 0.00 66.02 63.32 1xmp s SER 90 CO 0.24 -1.38 1.24 0.50 0.98 0.00 0.00 173.24 174.82 1xmp h LYS 91 N -0.63 -1.04 -0.08 4.02 3.64 -1.97 -2.00 116.57 118.51 1xmp h LYS 91 Ca -0.44 0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 58.95 1xmp h LYS 91 Cb 1.21 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1xmp h LYS 91 CO 0.57 -0.70 -0.20 0.00 -2.27 0.00 0.00 179.45 176.86 1xmp h ALA 92 N -1.30 0.13 -0.36 5.00 0.00 -2.04 -3.36 119.26 117.33 1xmp h ALA 92 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xmp h ALA 92 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xmp h ALA 92 CO 0.18 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1xmp n LEU 93 N -4.54 2.98 -3.09 0.00 4.32 -1.26 -4.98 117.00 110.42 1xmp n LEU 93 Ca -0.08 -1.86 -0.22 0.00 -0.02 0.00 0.00 56.01 53.83 1xmp n LEU 93 Cb 0.42 -0.24 0.02 0.00 -1.62 0.00 0.00 43.42 41.99 1xmp n LEU 93 CO 0.39 0.72 -0.03 0.59 -1.22 0.00 0.00 177.39 177.84 1xmp n ASN 94 N 0.73 -5.15 0.00 -1.43 3.02 -0.75 -1.52 115.26 110.14 1xmp n ASN 94 Ca 0.13 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1xmp n ASN 94 Cb 0.44 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 1xmp n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xmp n GLY 95 N -1.35 0.81 0.24 7.41 0.00 -1.25 -4.58 105.19 106.47 1xmp n GLY 95 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 1xmp n GLY 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xmp h LEU 96 N 0.00 0.79 -0.28 0.99 5.85 -1.62 0.49 115.31 121.52 1xmp h LEU 96 Ca 0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1xmp h LEU 96 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1xmp h LEU 96 CO 0.00 0.90 0.17 -2.24 -0.34 0.00 0.00 178.44 176.93 1xmp h ASP 97 N 0.66 0.34 -0.29 1.25 3.04 -1.85 -2.04 116.42 117.53 1xmp h ASP 97 Ca 0.13 -0.05 0.06 0.00 -3.24 0.00 0.00 57.03 53.93 1xmp h ASP 97 Cb 0.48 -0.09 -0.05 0.00 -1.04 0.00 0.00 39.33 38.64 1xmp h ASP 97 CO 0.02 0.29 -0.05 0.28 -2.04 0.00 0.00 179.24 177.75 1xmp h SER 98 N 0.36 -0.21 0.20 4.15 0.02 -1.28 -1.99 113.55 114.79 1xmp h SER 98 Ca 0.10 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1xmp h SER 98 Cb 0.01 0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1xmp h SER 98 CO -0.02 -0.07 -0.10 0.25 -1.14 0.00 0.00 176.83 175.75 1xmp h LEU 99 N 0.03 -0.23 -0.78 5.07 5.85 -0.82 -2.42 115.31 122.02 1xmp h LEU 99 Ca 0.14 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 1xmp h LEU 99 Cb 0.21 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1xmp h LEU 99 CO -0.28 -0.10 0.20 -0.07 -0.34 0.00 0.00 178.44 177.85 1xmp h LEU 100 N -0.33 1.06 -1.93 2.25 3.38 -1.24 0.10 115.31 118.60 1xmp h LEU 100 Ca -0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1xmp h LEU 100 Cb 0.25 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xmp h LEU 100 CO 0.04 0.99 -0.06 0.28 0.09 0.00 0.00 178.44 179.79 1xmp h SER 101 N 1.08 0.00 0.00 -0.43 0.02 -1.31 -2.92 113.55 109.98 1xmp h SER 101 Ca 0.23 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.86 1xmp h SER 101 Cb 0.33 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1xmp h SER 101 CO -0.00 0.06 -1.76 -0.38 -1.14 0.00 0.00 176.83 173.61 1xmp n ILE 102 N -4.36 1.54 0.12 3.27 5.41 -0.92 -4.64 119.36 119.78 1xmp n ILE 102 Ca -0.03 -0.17 -0.03 0.00 1.00 0.00 0.00 62.75 63.52 1xmp n ILE 102 Cb 0.15 -1.98 0.10 0.00 -0.71 0.00 0.00 39.64 37.20 1xmp n ILE 102 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 176.55 178.17 1xmp h VAL 103 N -0.99 1.51 -0.26 1.39 3.04 -0.84 -3.33 116.25 116.77 1xmp h VAL 103 Ca -0.49 -2.45 -0.15 0.00 -1.01 0.00 0.00 66.70 62.60 1xmp h VAL 103 Cb 1.43 2.32 -0.08 0.00 -2.01 0.00 0.00 31.29 32.96 1xmp h VAL 103 CO -0.29 0.70 0.19 0.00 -1.01 0.00 0.00 177.57 177.16 1xmp n GLN 104 N -3.69 1.36 -1.81 4.17 1.13 -1.11 -4.90 117.38 112.53 1xmp n GLN 104 Ca -0.01 -0.81 -0.40 0.00 -1.94 0.00 0.00 57.00 53.85 1xmp n GLN 104 Cb 0.70 -1.32 0.02 0.00 0.11 0.00 0.00 30.24 29.75 1xmp n GLN 104 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1xmp s MET 105 N -0.90 3.63 0.67 -1.09 -1.94 -1.25 -4.99 119.30 113.43 1xmp s MET 105 Ca 0.15 2.38 -0.11 0.00 -1.71 0.00 0.00 55.69 56.41 1xmp s MET 105 Cb 0.13 -2.61 -0.01 0.00 2.01 0.00 0.00 34.83 34.35 1xmp s MET 105 CO 0.02 -0.85 1.05 -1.25 -0.01 0.00 0.00 175.02 173.98 1xmp s PRO 106 N -2.50 3.16 0.12 2.03 0.04 -1.26 -4.93 135.00 131.66 1xmp s PRO 106 Ca 0.62 0.84 -0.35 0.00 0.04 0.00 0.00 61.00 62.15 1xmp s PRO 106 Cb -0.43 -2.02 -0.16 0.00 0.04 0.00 0.00 34.50 31.93 1xmp s PRO 106 CO 0.55 -0.91 1.41 0.41 0.04 0.00 0.00 177.00 178.49 1xmp n GLY 107 N -2.33 0.67 0.00 0.56 0.00 -1.26 -2.20 105.19 100.63 1xmp n GLY 107 Ca 0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1xmp n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmp n GLY 108 N 2.77 1.39 2.42 -0.02 0.00 -1.26 -5.00 105.19 105.48 1xmp n GLY 108 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1xmp n GLY 108 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmp n VAL 109 N -0.00 0.13 -2.05 1.61 0.31 -0.93 -5.05 118.33 112.34 1xmp n VAL 109 Ca 0.00 -4.21 -0.38 0.00 -0.01 0.00 0.00 64.34 59.74 1xmp n VAL 109 Cb 0.00 -1.93 0.01 0.00 -0.91 0.00 0.00 33.84 31.01 1xmp n VAL 109 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1xmp s PRO 110 N -1.11 3.51 -0.09 5.55 0.04 -1.26 -4.53 135.00 137.10 1xmp s PRO 110 Ca 0.34 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.38 1xmp s PRO 110 Cb 0.09 -2.36 0.01 0.00 0.04 0.00 0.00 34.50 32.28 1xmp s PRO 110 CO -0.13 -0.81 -0.16 0.08 0.04 0.00 0.00 177.00 176.01 1xmp s VAL 111 N -1.43 1.53 -0.51 -0.36 1.01 -1.26 -4.73 120.40 114.65 1xmp s VAL 111 Ca 0.67 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 1xmp s VAL 111 Cb -0.34 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1xmp s VAL 111 CO 0.41 0.44 1.42 0.00 0.00 0.00 0.00 175.10 177.37 1xmp s ALA 112 N 0.74 2.88 -0.14 5.51 0.00 0.23 -4.87 121.76 126.10 1xmp s ALA 112 Ca -0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1xmp s ALA 112 Cb -0.16 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 18.87 1xmp s ALA 112 CO 0.02 -2.76 0.19 0.99 0.00 0.00 0.00 175.76 174.21 1xmp s THR 113 N 5.89 5.39 0.43 0.00 2.01 -1.26 -0.13 115.64 127.97 1xmp s THR 113 Ca 0.56 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.90 1xmp s THR 113 Cb -0.12 -3.50 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1xmp s THR 113 CO 0.28 0.51 0.13 1.33 -0.69 0.00 0.00 174.62 176.18 1xmp n VAL 114 N 2.80 0.00 -1.72 3.82 0.24 -0.88 -4.96 118.33 117.64 1xmp n VAL 114 Ca -0.16 -1.90 -0.34 0.00 -2.04 0.00 0.00 64.34 59.90 1xmp n VAL 114 Cb 0.53 0.19 0.06 0.00 -1.47 0.00 0.00 33.84 33.15 1xmp n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xmp s ALA 115 N -2.69 2.37 0.27 2.33 0.00 -1.26 -4.40 121.76 118.38 1xmp s ALA 115 Ca 0.10 0.74 -0.31 0.00 0.00 0.00 0.00 51.96 52.50 1xmp s ALA 115 Cb -0.01 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.60 1xmp s ALA 115 CO 0.07 -1.43 1.58 -0.89 0.00 0.00 0.00 175.76 175.09 1xmp n ILE 116 N -2.33 0.81 -3.98 0.00 5.41 -1.26 -3.19 119.36 114.82 1xmp n ILE 116 Ca 0.12 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1xmp n ILE 116 Cb 0.51 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 1xmp n ILE 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xmp n GLY 117 N 2.48 -0.40 0.23 7.39 0.00 0.19 -4.29 105.19 110.80 1xmp n GLY 117 Ca 0.11 -1.12 -0.03 0.00 0.00 0.00 0.00 46.02 44.98 1xmp n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmp h LYS 118 N 0.00 0.42 -0.60 1.61 1.57 -1.87 -1.54 116.57 116.16 1xmp h LYS 118 Ca 0.00 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1xmp h LYS 118 Cb 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1xmp h LYS 118 CO 0.00 0.66 0.29 0.00 -0.57 0.00 0.00 179.45 179.82 1xmp h ALA 119 N 1.35 0.77 -0.41 3.86 0.00 -1.87 -0.30 119.26 122.66 1xmp h ALA 119 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xmp h ALA 119 Cb 0.66 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xmp h ALA 119 CO 0.05 0.34 0.20 0.78 0.00 0.00 0.00 179.25 180.62 1xmp h GLY 120 N 0.82 0.63 0.79 0.00 0.00 -1.40 -0.91 103.07 103.00 1xmp h GLY 120 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1xmp h GLY 120 CO -0.03 0.29 0.17 0.23 0.00 0.00 0.00 176.54 177.21 1xmp h SER 121 N 0.52 0.24 -0.43 0.19 0.87 -1.01 0.42 113.55 114.34 1xmp h SER 121 Ca 0.14 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1xmp h SER 121 Cb 0.11 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 1xmp h SER 121 CO -0.02 0.18 0.18 0.74 -0.53 0.00 0.00 176.83 177.38 1xmp h THR 122 N 0.35 0.91 0.00 2.23 2.02 -0.97 -2.55 112.91 114.90 1xmp h THR 122 Ca 0.16 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 1xmp h THR 122 Cb 0.08 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1xmp h THR 122 CO -0.12 0.07 -0.23 0.78 0.37 0.00 0.00 175.52 176.38 1xmp h ASN 123 N 0.37 0.00 -0.65 4.18 -0.26 -0.40 -2.07 115.58 116.75 1xmp h ASN 123 Ca 0.20 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.89 1xmp h ASN 123 Cb 0.15 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1xmp h ASN 123 CO -0.17 0.23 0.23 0.00 -1.06 0.00 0.00 177.43 176.66 1xmp h ALA 124 N 1.77 0.85 -0.11 -0.83 0.00 0.21 0.13 119.26 121.28 1xmp h ALA 124 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1xmp h ALA 124 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xmp h ALA 124 CO 0.03 0.49 0.04 0.78 0.00 0.00 0.00 179.25 180.60 1xmp h GLY 125 N 0.93 0.13 1.07 0.00 0.00 -1.14 -0.53 103.07 103.53 1xmp h GLY 125 Ca 0.21 -0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1xmp h GLY 125 CO -0.01 0.03 0.16 1.41 0.00 0.00 0.00 176.54 178.13 1xmp h LEU 126 N 0.10 1.08 -0.42 3.11 3.38 -1.24 -1.65 115.31 119.68 1xmp h LEU 126 Ca 0.04 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1xmp h LEU 126 Cb 0.01 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1xmp h LEU 126 CO -0.04 1.04 -0.15 0.25 0.09 0.00 0.00 178.44 179.63 1xmp h LEU 127 N 1.08 0.87 -0.76 1.67 5.85 -0.60 0.12 115.31 123.54 1xmp h LEU 127 Ca 0.22 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1xmp h LEU 127 Cb 0.39 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1xmp h LEU 127 CO 0.00 1.05 0.45 0.00 -0.34 0.00 0.00 178.44 179.61 1xmp h ALA 128 N 0.84 1.02 -0.64 1.25 0.00 -0.94 -0.91 119.26 119.88 1xmp h ALA 128 Ca 0.10 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xmp h ALA 128 Cb 0.70 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1xmp h ALA 128 CO 0.05 0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.72 1xmp h ALA 129 N 1.36 0.83 -0.78 0.00 0.00 -0.66 -1.43 119.26 118.59 1xmp h ALA 129 Ca 0.33 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1xmp h ALA 129 Cb 0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1xmp h ALA 129 CO -0.16 0.46 0.48 1.96 0.00 0.00 0.00 179.25 181.99 1xmp h GLN 130 N 0.90 0.90 0.09 0.00 4.20 -0.28 0.46 115.11 121.37 1xmp h GLN 130 Ca 0.21 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1xmp h GLN 130 Cb 0.23 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1xmp h GLN 130 CO -0.01 0.60 -0.04 0.82 -0.67 0.00 0.00 178.83 179.52 1xmp h ILE 131 N 0.93 0.94 -0.95 2.54 2.04 -0.90 -1.36 117.51 120.74 1xmp h ILE 131 Ca 0.32 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.14 1xmp h ILE 131 Cb 0.06 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 1xmp h ILE 131 CO -0.13 0.02 0.62 -0.07 0.00 0.00 0.00 178.15 178.58 1xmp h LEU 132 N -0.16 1.01 -0.14 1.44 3.38 -1.00 -2.24 115.31 117.61 1xmp h LEU 132 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xmp h LEU 132 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xmp h LEU 132 CO 0.02 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.84 1xmp n GLY 133 N -1.35 -0.82 0.07 0.83 0.00 0.16 -1.03 105.19 103.05 1xmp n GLY 133 Ca 0.13 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1xmp n GLY 133 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xmp n SER 134 N -1.60 0.48 -0.02 1.61 3.41 -0.55 -3.92 113.62 113.02 1xmp n SER 134 Ca 0.02 0.57 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1xmp n SER 134 Cb 0.10 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.34 1xmp n SER 134 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1xmp n PHE 135 N -1.98 0.00 -3.25 7.33 7.35 -0.82 -4.98 117.46 121.11 1xmp n PHE 135 Ca 0.05 0.00 -0.45 0.00 -0.76 0.00 0.00 57.45 56.29 1xmp n PHE 135 Cb 0.32 -0.12 -0.06 0.00 0.35 0.00 0.00 39.48 39.97 1xmp n PHE 135 CO 0.00 0.00 0.00 -1.01 -0.76 0.00 0.00 176.76 174.99 1xmp s HIS 136 N -2.06 3.15 0.50 -5.13 3.76 -0.20 -4.95 115.29 110.36 1xmp s HIS 136 Ca -0.04 -0.97 0.18 0.00 -0.15 0.00 0.00 55.06 54.08 1xmp s HIS 136 Cb 0.01 -3.63 1.23 0.00 1.11 0.00 0.00 32.58 31.30 1xmp s HIS 136 CO 0.07 -1.03 2.06 -0.44 -0.85 0.00 0.00 174.74 174.56 1xmp h ASP 137 N 8.95 0.11 -0.66 1.40 3.32 -1.88 -2.34 116.42 125.31 1xmp h ASP 137 Ca -0.29 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 1xmp h ASP 137 Cb 1.10 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.60 1xmp h ASP 137 CO 1.00 0.07 0.25 -2.24 -1.72 0.00 0.00 179.24 176.60 1xmp h ASP 138 N 0.12 0.92 -0.37 6.45 2.03 -1.93 0.15 116.42 123.79 1xmp h ASP 138 Ca 0.15 -0.18 -0.07 0.00 -0.73 0.00 0.00 57.03 56.19 1xmp h ASP 138 Cb 0.43 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1xmp h ASP 138 CO -0.02 0.85 -0.05 0.40 -1.03 0.00 0.00 179.24 179.39 1xmp h ILE 139 N 0.94 1.27 -0.18 4.15 2.04 -1.80 -1.07 117.51 122.86 1xmp h ILE 139 Ca 0.22 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1xmp h ILE 139 Cb 0.23 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1xmp h ILE 139 CO -0.02 0.36 -0.04 -0.74 0.00 0.00 0.00 178.15 177.72 1xmp h HIS 140 N 0.49 -0.08 -0.85 1.37 2.76 -1.19 -1.32 115.15 116.32 1xmp h HIS 140 Ca 0.10 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1xmp h HIS 140 Cb 0.55 0.07 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 1xmp h HIS 140 CO 0.05 -0.07 0.56 -0.44 -1.30 0.00 0.00 177.93 176.73 1xmp h ASP 141 N 0.01 0.97 -0.57 3.26 3.32 -0.53 -2.04 116.42 120.84 1xmp h ASP 141 Ca 0.09 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1xmp h ASP 141 Cb 0.13 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1xmp h ASP 141 CO -0.18 0.70 -0.02 0.00 -1.72 0.00 0.00 179.24 178.02 1xmp h ALA 142 N 1.47 0.86 -0.79 3.45 0.00 -0.74 -1.88 119.26 121.63 1xmp h ALA 142 Ca 0.32 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xmp h ALA 142 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1xmp h ALA 142 CO -0.07 0.66 0.40 -0.07 0.00 0.00 0.00 179.25 180.17 1xmp h LEU 143 N 0.94 1.00 -0.22 0.00 3.38 -0.75 -0.59 115.31 119.07 1xmp h LEU 143 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xmp h LEU 143 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xmp h LEU 143 CO 0.03 0.83 0.11 -0.33 0.09 0.00 0.00 178.44 179.17 1xmp h GLU 144 N 1.11 0.31 -0.67 1.13 4.39 -1.08 -1.62 114.58 118.15 1xmp h GLU 144 Ca 0.27 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.85 1xmp h GLU 144 Cb 0.08 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1xmp h GLU 144 CO -0.04 0.32 0.09 -0.07 -1.16 0.00 0.00 179.01 178.16 1xmp h LEU 145 N 0.22 1.07 -0.22 1.33 3.38 -1.13 -0.47 115.31 119.49 1xmp h LEU 145 Ca 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xmp h LEU 145 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1xmp h LEU 145 CO -0.01 1.06 0.13 -0.09 0.09 0.00 0.00 178.44 179.63 1xmp h ARG 146 N 1.04 0.30 -0.73 1.13 2.43 -0.97 -1.24 114.38 116.33 1xmp h ARG 146 Ca 0.20 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1xmp h ARG 146 Cb 0.46 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1xmp h ARG 146 CO 0.02 0.24 0.27 -0.09 -1.51 0.00 0.00 179.97 178.90 1xmp h ARG 147 N 0.27 1.09 -0.86 0.20 2.43 -1.15 -2.50 114.38 113.86 1xmp h ARG 147 Ca 0.08 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1xmp h ARG 147 Cb 0.02 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1xmp h ARG 147 CO -0.01 0.90 0.43 1.49 -1.51 0.00 0.00 179.97 181.26 1xmp h GLU 148 N 1.06 1.24 -0.37 0.20 4.81 -0.75 -1.14 114.58 119.63 1xmp h GLU 148 Ca 0.24 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 1xmp h GLU 148 Cb 0.23 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1xmp h GLU 148 CO -0.02 0.94 -0.28 0.00 -0.73 0.00 0.00 179.01 178.92 1xmp h ALA 149 N 1.24 0.80 -0.36 2.92 0.00 -1.04 -2.10 119.26 120.71 1xmp h ALA 149 Ca 0.30 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1xmp h ALA 149 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xmp h ALA 149 CO -0.04 0.65 0.05 0.82 0.00 0.00 0.00 179.25 180.73 1xmp h ILE 150 N 0.68 1.24 -0.39 0.00 2.04 -1.22 -1.30 117.51 118.56 1xmp h ILE 150 Ca 0.08 -0.85 0.06 0.00 1.00 0.00 0.00 64.86 65.15 1xmp h ILE 150 Cb 0.81 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1xmp h ILE 150 CO 0.07 0.29 0.08 -0.08 0.00 0.00 0.00 178.15 178.50 1xmp h GLU 151 N 0.43 0.20 -0.32 2.37 4.22 -1.08 0.60 114.58 121.00 1xmp h GLU 151 Ca 0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.53 1xmp h GLU 151 Cb 0.37 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1xmp h GLU 151 CO 0.01 0.13 0.19 -0.22 -2.18 0.00 0.00 179.01 176.94 1xmp h LYS 152 N 0.21 0.44 -0.50 1.92 3.64 -1.27 -0.37 116.57 120.64 1xmp h LYS 152 Ca 0.19 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xmp h LYS 152 Cb 0.22 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1xmp h LYS 152 CO -0.24 0.34 0.32 0.22 -2.27 0.00 0.00 179.45 177.82 1xmp h ASP 153 N 0.42 0.53 -0.04 4.20 3.58 -0.71 -0.22 116.42 124.18 1xmp h ASP 153 Ca 0.12 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1xmp h ASP 153 Cb 0.02 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 1xmp h ASP 153 CO -0.02 0.38 -0.02 0.58 -2.88 0.00 0.00 179.24 177.28 1xmp h VAL 154 N 0.64 1.33 -0.46 2.25 2.07 -0.72 -3.24 116.25 118.12 1xmp h VAL 154 Ca 0.19 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 1xmp h VAL 154 Cb -0.04 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1xmp h VAL 154 CO -0.06 0.27 0.25 -0.09 0.02 0.00 0.00 177.57 177.97 1xmp h ARG 155 N -0.31 0.64 -0.02 1.57 2.43 -0.98 -3.51 114.38 114.19 1xmp h ARG 155 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1xmp h ARG 155 Cb 0.45 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1xmp h ARG 155 CO 0.01 0.50 0.00 0.39 -1.51 0.00 0.00 179.97 179.36