#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmp s SER 3 N 0.00 6.95 -0.08 4.39 0.01 -1.26 -4.77 113.70 118.94 1xmp s SER 3 Ca 0.00 2.54 0.19 0.00 1.31 0.00 0.00 55.95 59.98 1xmp s SER 3 Cb 0.00 -2.64 -0.28 0.00 0.21 0.00 0.00 66.02 63.31 1xmp s SER 3 CO 0.00 -0.40 0.31 0.18 0.41 0.00 0.00 173.24 173.74 1xmp n LEU 4 N 1.00 0.00 -4.15 2.44 4.77 0.21 -3.97 117.00 117.29 1xmp n LEU 4 Ca -0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 1xmp n LEU 4 Cb 0.43 0.16 -0.16 0.00 -2.33 0.00 0.00 43.42 41.52 1xmp n LEU 4 CO 0.57 0.16 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.60 1xmp s VAL 5 N -3.07 1.39 -0.21 4.08 1.01 -1.15 -0.56 120.40 121.89 1xmp s VAL 5 Ca -0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1xmp s VAL 5 Cb 0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1xmp s VAL 5 CO 0.81 0.40 0.04 -0.83 0.00 0.00 0.00 175.10 175.51 1xmp s GLY 6 N -0.24 1.79 -0.23 4.51 0.00 -0.76 -1.70 107.32 110.68 1xmp s GLY 6 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.77 1xmp s GLY 6 CO 0.00 0.25 -0.03 0.14 0.00 0.00 0.00 173.10 173.46 1xmp s VAL 7 N 0.95 3.35 0.11 1.40 1.01 0.48 -0.08 120.40 127.62 1xmp s VAL 7 Ca 0.03 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.43 1xmp s VAL 7 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1xmp s VAL 7 CO 0.02 0.34 -0.10 -0.63 0.00 0.00 0.00 175.10 174.73 1xmp s ILE 8 N 1.45 0.97 -0.04 2.22 1.01 0.34 -1.30 121.20 125.85 1xmp s ILE 8 Ca 0.04 -1.77 -0.27 0.00 0.00 0.00 0.00 60.65 58.66 1xmp s ILE 8 Cb -0.15 -1.51 0.06 0.00 0.01 0.00 0.00 42.46 40.87 1xmp s ILE 8 CO -0.03 -0.63 0.59 0.00 0.00 0.00 0.00 174.94 174.86 1xmp s MET 9 N -3.12 0.96 0.40 2.79 0.23 -1.06 -0.55 119.30 118.96 1xmp s MET 9 Ca 0.09 0.16 0.19 0.00 -1.03 0.00 0.00 55.69 55.09 1xmp s MET 9 Cb -0.01 0.45 0.85 0.00 -1.53 0.00 0.00 34.83 34.59 1xmp s MET 9 CO -0.00 -0.29 1.83 0.78 -2.03 0.00 0.00 175.02 175.31 1xmp h GLY 10 N 3.25 0.00 -3.59 3.16 0.00 -1.54 -0.11 103.07 104.25 1xmp h GLY 10 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1xmp h GLY 10 CO 0.39 0.00 -0.30 -1.35 0.00 0.00 0.00 176.54 175.28 1xmp s SER 11 N -6.54 -0.03 0.51 0.19 1.04 -1.26 -4.29 113.70 103.32 1xmp s SER 11 Ca -0.01 -0.37 0.17 0.00 0.48 0.00 0.00 55.95 56.22 1xmp s SER 11 Cb 0.13 0.35 1.25 0.00 0.10 0.00 0.00 66.02 67.84 1xmp s SER 11 CO 0.68 -0.66 2.09 0.71 0.98 0.00 0.00 173.24 177.04 1xmp h THR 12 N 3.06 0.93 0.00 2.02 1.35 -2.00 -1.16 112.91 117.11 1xmp h THR 12 Ca -0.33 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.49 1xmp h THR 12 Cb 1.20 0.84 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1xmp h THR 12 CO 0.49 0.02 -0.05 0.77 -0.25 0.00 0.00 175.52 176.50 1xmp h SER 13 N 0.09 0.00 0.96 5.36 4.64 -1.99 -1.42 113.55 121.18 1xmp h SER 13 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1xmp h SER 13 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1xmp h SER 13 CO -0.01 0.05 0.00 0.44 -0.87 0.00 0.00 176.83 176.44 1xmp h ASP 14 N 0.00 0.00 -0.38 4.97 3.32 -1.62 -3.27 116.42 119.44 1xmp h ASP 14 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xmp h ASP 14 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1xmp h ASP 14 CO 0.01 0.00 0.23 -0.25 -1.72 0.00 0.00 179.24 177.51 1xmp h TRP 15 N 0.00 0.52 -0.52 4.55 2.91 -1.35 -0.16 115.95 121.90 1xmp h TRP 15 Ca 0.00 0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.09 1xmp h TRP 15 Cb 0.48 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 28.93 1xmp h TRP 15 CO 0.00 0.35 0.35 0.93 -1.03 0.00 0.00 178.44 179.04 1xmp h GLU 16 N 0.54 0.44 0.08 2.65 4.39 -1.76 -0.80 114.58 120.12 1xmp h GLU 16 Ca 0.14 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 1xmp h GLU 16 Cb -0.00 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1xmp h GLU 16 CO -0.03 0.29 -0.65 1.15 -1.16 0.00 0.00 179.01 178.61 1xmp h THR 17 N 0.45 1.50 0.00 1.13 2.02 -1.53 -3.39 112.91 113.09 1xmp h THR 17 Ca 0.23 -2.43 0.00 0.00 0.77 0.00 0.00 66.41 64.98 1xmp h THR 17 Cb 0.32 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.86 1xmp h THR 17 CO -0.06 0.65 0.00 0.24 0.37 0.00 0.00 175.52 176.72 1xmp h MET 18 N -0.62 0.00 0.00 6.66 2.86 -0.59 -2.95 114.93 120.29 1xmp h MET 18 Ca -0.13 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1xmp h MET 18 Cb 1.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.08 1xmp h MET 18 CO 0.06 0.00 -0.02 -0.22 1.06 0.00 0.00 176.91 177.79 1xmp h LYS 19 N 0.00 0.00 -0.71 1.72 3.64 -1.35 -2.76 116.57 117.11 1xmp h LYS 19 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1xmp h LYS 19 Cb 0.56 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1xmp h LYS 19 CO 0.00 0.02 0.34 1.88 -2.27 0.00 0.00 179.45 179.42 1xmp h TYR 20 N 0.00 1.02 -0.60 1.91 -1.99 -1.79 0.45 116.97 115.97 1xmp h TYR 20 Ca -0.00 -0.05 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1xmp h TYR 20 Cb 0.04 -0.31 -0.03 0.00 2.00 0.00 0.00 36.73 38.42 1xmp h TYR 20 CO 0.00 0.75 0.39 0.00 -0.00 0.00 0.00 178.16 179.31 1xmp h ALA 21 N 1.16 0.76 -0.33 3.88 0.00 -1.42 -2.59 119.26 120.73 1xmp h ALA 21 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1xmp h ALA 21 Cb 0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xmp h ALA 21 CO -0.03 0.18 -0.27 0.00 0.00 0.00 0.00 179.25 179.14 1xmp h ASP 23 N 0.58 0.83 -0.29 0.00 3.32 -0.74 -0.88 116.42 119.24 1xmp h ASP 23 Ca 0.08 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1xmp h ASP 23 Cb 0.75 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 1xmp h ASP 23 CO 0.06 0.58 0.15 0.40 -1.72 0.00 0.00 179.24 178.71 1xmp h ILE 24 N 0.98 1.13 -0.50 0.35 1.08 -1.07 -0.83 117.51 118.66 1xmp h ILE 24 Ca 0.30 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.36 1xmp h ILE 24 Cb -0.02 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 1xmp h ILE 24 CO -0.10 0.14 0.13 -0.07 -0.69 0.00 0.00 178.15 177.55 1xmp h LEU 25 N 0.34 0.70 -0.06 1.44 3.38 -1.01 -1.44 115.31 118.65 1xmp h LEU 25 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xmp h LEU 25 Cb 0.08 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xmp h LEU 25 CO -0.01 0.69 0.02 0.44 0.09 0.00 0.00 178.44 179.66 1xmp h ASP 26 N 0.73 0.09 -0.74 -0.43 3.32 -1.02 0.27 116.42 118.64 1xmp h ASP 26 Ca 0.16 -0.19 0.13 0.00 0.02 0.00 0.00 57.03 57.15 1xmp h ASP 26 Cb 0.26 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.70 1xmp h ASP 26 CO -0.00 0.26 0.32 -0.08 -1.72 0.00 0.00 179.24 178.02 1xmp h GLU 27 N -0.08 0.49 -0.14 3.56 4.81 -0.68 -0.48 114.58 122.05 1xmp h GLU 27 Ca 0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xmp h GLU 27 Cb 0.20 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1xmp h GLU 27 CO -0.00 0.32 0.00 1.28 -0.73 0.00 0.00 179.01 179.88 1xmp n LEU 28 N -4.95 1.20 -3.81 1.64 4.77 -0.59 -4.93 117.00 110.33 1xmp n LEU 28 Ca 0.13 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.31 1xmp n LEU 28 Cb 0.37 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1xmp n LEU 28 CO 0.21 0.26 0.13 0.59 -1.33 0.00 0.00 177.39 177.25 1xmp n ASN 29 N 0.04 -4.84 -4.62 -1.43 3.02 -0.19 -4.97 115.26 102.27 1xmp n ASN 29 Ca 0.14 -0.72 -0.38 0.00 -0.03 0.00 0.00 54.58 53.59 1xmp n ASN 29 Cb 0.24 -4.22 -0.10 0.00 -0.61 0.00 0.00 39.78 35.09 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 -3.34 5.30 0.20 2.41 1.01 0.84 -5.02 121.20 122.61 1xmp s ILE 30 Ca 0.58 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 61.19 1xmp s ILE 30 Cb -0.28 -3.56 -0.09 0.00 0.01 0.00 0.00 42.46 38.55 1xmp s ILE 30 CO 0.80 0.26 1.32 -2.16 0.00 0.00 0.00 174.94 175.17 1xmp s PRO 31 N 1.58 4.37 0.20 2.79 0.04 -1.26 -4.54 135.00 138.18 1xmp s PRO 31 Ca 0.09 2.08 -0.07 0.00 0.04 0.00 0.00 61.00 63.13 1xmp s PRO 31 Cb -0.15 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1xmp s PRO 31 CO 0.09 -0.27 0.29 1.52 0.04 0.00 0.00 177.00 178.67 1xmp s TYR 32 N 0.11 0.63 0.11 0.56 1.13 -1.26 -0.62 117.35 118.01 1xmp s TYR 32 Ca 0.57 -0.95 0.09 0.00 -1.41 0.00 0.00 57.07 55.36 1xmp s TYR 32 Cb -0.37 -0.14 -0.04 0.00 -1.10 0.00 0.00 41.96 40.31 1xmp s TYR 32 CO 0.39 -0.78 -0.22 -1.83 -2.51 0.00 0.00 175.55 170.60 1xmp s GLU 33 N -4.04 1.17 -0.04 -3.49 -1.05 -0.69 -4.89 118.70 105.67 1xmp s GLU 33 Ca 0.25 -1.20 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 1xmp s GLU 33 Cb 0.03 -1.46 0.00 0.00 -0.44 0.00 0.00 34.13 32.26 1xmp s GLU 33 CO 0.06 0.34 -0.13 -1.59 0.95 0.00 0.00 175.26 174.89 1xmp s LYS 34 N -1.96 1.44 -0.07 -4.83 -2.85 -1.26 -0.39 119.74 109.82 1xmp s LYS 34 Ca 0.08 -0.47 -0.15 0.00 -1.00 0.00 0.00 55.97 54.43 1xmp s LYS 34 Cb -0.10 -1.27 0.03 0.00 -2.06 0.00 0.00 37.83 34.43 1xmp s LYS 34 CO 0.05 0.17 0.36 0.15 0.10 0.00 0.00 175.35 176.18 1xmp s LYS 35 N 0.16 0.59 -0.21 1.78 -0.14 -0.42 -4.99 119.74 116.50 1xmp s LYS 35 Ca -0.04 0.16 -0.24 0.00 -1.36 0.00 0.00 55.97 54.48 1xmp s LYS 35 Cb -0.11 0.27 -0.01 0.00 -1.68 0.00 0.00 37.83 36.30 1xmp s LYS 35 CO 0.02 -0.13 0.81 0.08 -0.76 0.00 0.00 175.35 175.36 1xmp s VAL 36 N -0.62 4.87 -0.13 3.17 1.01 -1.26 -2.55 120.40 124.89 1xmp s VAL 36 Ca -0.07 1.54 -0.03 0.00 0.00 0.00 0.00 61.98 63.42 1xmp s VAL 36 Cb -0.04 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.29 1xmp s VAL 36 CO 0.03 -0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.46 1xmp s VAL 37 N 2.52 0.24 -0.23 2.92 1.01 -0.05 -4.93 120.40 121.89 1xmp s VAL 37 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 1xmp s VAL 37 Cb -0.16 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 1xmp s VAL 37 CO 0.09 -0.04 0.04 -0.55 0.00 0.00 0.00 175.10 174.64 1xmp s SER 38 N 2.00 5.01 0.34 3.32 0.15 -1.26 -3.53 113.70 119.74 1xmp s SER 38 Ca 0.02 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.50 1xmp s SER 38 Cb -0.15 -1.88 0.63 0.00 -1.71 0.00 0.00 66.02 62.91 1xmp s SER 38 CO -0.07 0.01 1.98 0.00 1.20 0.00 0.00 173.24 176.37 1xmp h ALA 39 N 7.89 1.57 0.00 5.45 0.00 -1.88 -0.35 119.26 131.93 1xmp h ALA 39 Ca -0.38 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.27 1xmp h ALA 39 Cb 1.17 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1xmp h ALA 39 CO 0.60 0.37 -2.19 0.72 0.00 0.00 0.00 179.25 178.75 1xmp n HIS 40 N -4.45 0.00 -0.05 0.00 8.25 -1.26 -3.74 115.22 113.97 1xmp n HIS 40 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1xmp n HIS 40 Cb 0.10 -0.78 -0.15 0.00 1.12 0.00 0.00 29.99 30.28 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 -2.54 0.79 -2.87 -0.41 1.74 -1.22 -4.62 116.66 107.53 1xmp n ARG 41 Ca -0.21 -0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.58 1xmp n ARG 41 Cb 0.92 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.87 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 -2.44 1.30 -0.21 0.55 -2.24 -0.15 -4.98 114.28 106.13 1xmp n THR 42 Ca -0.17 -4.47 -0.00 0.00 -2.27 0.00 0.00 64.05 57.14 1xmp n THR 42 Cb 0.81 -0.44 0.23 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.92 0.98 -0.22 -0.78 0.13 -1.63 0.00 132.00 133.41 1xmp h PRO 43 Ca 0.09 -0.08 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 1xmp h PRO 43 Cb 0.91 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1xmp h PRO 43 CO 0.63 0.68 -0.08 -0.44 -0.23 0.00 0.00 178.00 178.56 1xmp h ASP 44 N 1.00 0.44 -0.92 1.44 3.32 -1.90 -2.17 116.42 117.63 1xmp h ASP 44 Ca 0.26 -0.39 0.11 0.00 0.02 0.00 0.00 57.03 57.03 1xmp h ASP 44 Cb -0.05 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.29 1xmp h ASP 44 CO -0.05 0.73 0.56 0.22 -1.72 0.00 0.00 179.24 178.98 1xmp h TYR 45 N 0.15 1.01 -0.28 4.55 3.20 -1.82 -1.21 116.97 122.57 1xmp h TYR 45 Ca 0.05 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1xmp h TYR 45 Cb 0.55 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1xmp h TYR 45 CO 0.06 0.40 0.14 1.98 -1.64 0.00 0.00 178.16 179.09 1xmp h MET 46 N 0.89 0.29 -0.65 1.82 4.05 -0.71 -0.46 114.93 120.16 1xmp h MET 46 Ca 0.45 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.79 1xmp h MET 46 Cb 0.44 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1xmp h MET 46 CO -0.26 0.19 0.14 0.74 0.23 0.00 0.00 176.91 177.95 1xmp h PHE 47 N 0.30 1.08 -0.02 1.39 -1.00 -0.77 -1.59 116.94 116.33 1xmp h PHE 47 Ca 0.11 -0.12 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1xmp h PHE 47 Cb 0.03 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.28 1xmp h PHE 47 CO -0.09 0.89 0.01 0.93 -1.61 0.00 0.00 178.31 178.44 1xmp h GLU 48 N 0.98 0.02 -0.08 1.51 5.08 -0.98 0.54 114.58 121.64 1xmp h GLU 48 Ca 0.20 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 1xmp h GLU 48 Cb 0.37 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 1xmp h GLU 48 CO 0.00 0.04 -0.20 -0.92 -1.00 0.00 0.00 179.01 176.94 1xmp h TYR 49 N -0.01 -0.51 -0.34 4.33 5.03 -0.84 -1.93 116.97 122.70 1xmp h TYR 49 Ca 0.01 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 1xmp h TYR 49 Cb 0.03 0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.53 1xmp h TYR 49 CO -0.07 -0.28 0.19 0.00 -1.32 0.00 0.00 178.16 176.68 1xmp h ALA 50 N 0.69 0.43 -0.99 1.82 0.00 -1.21 -2.33 119.26 117.68 1xmp h ALA 50 Ca 0.08 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1xmp h ALA 50 Cb 0.39 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1xmp h ALA 50 CO -0.24 -0.04 0.64 0.93 0.00 0.00 0.00 179.25 180.54 1xmp h GLU 51 N 0.42 1.17 -0.01 0.00 5.08 -0.56 -2.93 114.58 117.76 1xmp h GLU 51 Ca 0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xmp h GLU 51 Cb 0.06 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.04 1xmp h GLU 51 CO -0.02 0.77 -0.60 0.25 -1.00 0.00 0.00 179.01 178.42 1xmp n THR 52 N -4.48 0.00 -0.16 1.13 -2.24 -0.75 -4.51 114.28 103.26 1xmp n THR 52 Ca 0.14 -0.14 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1xmp n THR 52 Cb 0.14 0.97 0.06 0.00 -2.10 0.00 0.00 70.33 69.40 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 3.53 0.47 0.07 6.98 0.00 -1.22 -1.16 119.26 127.93 1xmp h ALA 53 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xmp h ALA 53 Cb 0.62 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1xmp h ALA 53 CO 0.00 -0.39 -0.03 -0.09 0.00 0.00 0.00 179.25 178.74 1xmp h ARG 54 N 0.11 -0.09 -0.91 0.00 2.43 -1.79 -2.02 114.38 112.10 1xmp h ARG 54 Ca 0.25 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 59.61 1xmp h ARG 54 Cb 0.38 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.88 1xmp h ARG 54 CO -0.42 0.07 0.59 0.93 -1.51 0.00 0.00 179.97 179.63 1xmp h GLU 55 N -0.24 0.57 0.00 0.20 5.08 -1.77 -0.83 114.58 117.59 1xmp h GLU 55 Ca -0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1xmp h GLU 55 Cb 0.21 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xmp h GLU 55 CO 0.02 0.38 0.00 0.54 -1.00 0.00 0.00 179.01 178.94 1xmp n ARG 56 N -4.58 0.56 0.00 2.33 1.74 -0.47 -4.90 116.66 111.35 1xmp n ARG 56 Ca 0.19 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1xmp n ARG 56 Cb 0.58 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.21 0.73 3.77 -0.13 0.00 -0.32 -4.80 105.19 105.66 1xmp n GLY 57 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 4.10 -0.07 0.99 1.43 -0.79 -4.58 118.68 119.76 1xmp s LEU 58 Ca 0.00 2.24 0.10 0.00 -1.03 0.00 0.00 54.13 55.44 1xmp s LEU 58 Cb 0.00 -4.16 -0.14 0.00 0.03 0.00 0.00 46.19 41.92 1xmp s LEU 58 CO 0.00 -0.73 0.10 0.29 0.23 0.00 0.00 176.35 176.24 1xmp n LYS 59 N -0.20 1.69 -3.84 1.70 4.76 0.27 -4.45 118.16 118.09 1xmp n LYS 59 Ca 0.06 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.34 1xmp n LYS 59 Cb 0.48 -1.26 -0.10 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.41 0.05 -0.08 -0.18 1.01 -1.16 -4.19 120.40 113.45 1xmp s VAL 60 Ca -0.05 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xmp s VAL 60 Cb 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 36.01 1xmp s VAL 60 CO 0.43 -0.24 -0.20 -0.63 0.00 0.00 0.00 175.10 174.46 1xmp s ILE 61 N -0.89 2.53 -0.21 2.22 1.01 -0.86 -1.83 121.20 123.19 1xmp s ILE 61 Ca -0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.61 1xmp s ILE 61 Cb -0.05 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1xmp s ILE 61 CO 0.01 0.56 0.03 -0.63 0.00 0.00 0.00 174.94 174.92 1xmp s ILE 62 N -0.14 4.24 -0.10 2.92 1.01 0.89 -0.61 121.20 129.40 1xmp s ILE 62 Ca -0.03 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.41 1xmp s ILE 62 Cb -0.14 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1xmp s ILE 62 CO 0.04 0.41 -0.10 0.00 0.00 0.00 0.00 174.94 175.29 1xmp s ALA 63 N 0.99 1.37 -0.07 9.38 0.00 0.63 -0.51 121.76 133.55 1xmp s ALA 63 Ca 0.03 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.45 1xmp s ALA 63 Cb -0.14 -0.82 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1xmp s ALA 63 CO 0.02 -0.24 -0.06 0.20 0.00 0.00 0.00 175.76 175.69 1xmp s GLY 64 N 1.34 1.72 -0.06 0.00 0.00 0.29 -1.53 107.32 109.09 1xmp s GLY 64 Ca -0.01 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.53 1xmp s GLY 64 CO -0.05 -0.67 0.84 0.00 0.00 0.00 0.00 173.10 173.23 1xmp s ALA 65 N -0.84 -1.83 0.23 3.20 0.00 -0.94 -2.58 121.76 119.01 1xmp s ALA 65 Ca 0.13 1.27 0.08 0.00 0.00 0.00 0.00 51.96 53.44 1xmp s ALA 65 Cb -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 1xmp s ALA 65 CO 0.02 -0.46 -0.13 0.20 0.00 0.00 0.00 175.76 175.40 1xmp s GLY 66 N -1.61 1.57 0.00 0.00 0.00 -1.26 -1.33 107.32 104.69 1xmp s GLY 66 Ca -0.03 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1xmp s GLY 66 CO 0.00 -1.80 0.00 0.61 0.00 0.00 0.00 173.10 171.92 1xmp n GLY 67 N -0.45 1.66 3.58 0.20 0.00 -1.26 -3.79 105.19 105.12 1xmp n GLY 67 Ca -0.07 -0.49 -0.40 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 -1.93 2.99 -0.93 4.61 0.00 -1.26 -2.50 121.76 122.75 1xmp s ALA 68 Ca 0.00 -2.74 -0.19 0.00 0.00 0.00 0.00 51.96 49.03 1xmp s ALA 68 Cb 0.00 -4.65 0.13 0.00 0.00 0.00 0.00 23.12 18.60 1xmp s ALA 68 CO 0.00 -3.70 1.13 0.00 0.00 0.00 0.00 175.76 173.20 1xmp s ALA 69 N 5.61 3.34 -0.83 0.00 0.00 -1.25 -4.79 121.76 123.84 1xmp s ALA 69 Ca 0.57 -2.74 0.22 0.00 0.00 0.00 0.00 51.96 50.01 1xmp s ALA 69 Cb 0.03 -4.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1xmp s ALA 69 CO 0.08 -3.00 0.99 0.72 0.00 0.00 0.00 175.76 174.55 1xmp n HIS 70 N 6.63 0.06 -0.01 0.00 8.25 -1.26 -4.10 115.22 124.79 1xmp n HIS 70 Ca 0.24 0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1xmp n HIS 70 Cb 0.49 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 31.36 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 0.13 -0.50 2.41 5.85 -1.93 -1.16 115.31 120.11 1xmp h LEU 71 Ca 0.00 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.67 1xmp h LEU 71 Cb 0.59 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1xmp h LEU 71 CO 0.00 0.18 0.28 -0.65 -0.34 0.00 0.00 178.44 177.91 1xmp h PRO 72 N 0.07 0.53 -0.35 5.25 0.11 -1.83 -1.28 132.00 134.51 1xmp h PRO 72 Ca 0.04 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 1xmp h PRO 72 Cb 0.08 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 1xmp h PRO 72 CO -0.01 0.35 -0.33 0.78 -0.21 0.00 0.00 178.00 178.59 1xmp h GLY 73 N 0.55 0.84 1.68 -0.55 0.00 -1.81 -0.33 103.07 103.44 1xmp h GLY 73 Ca 0.21 -0.79 -0.17 0.00 0.00 0.00 0.00 47.33 46.58 1xmp h GLY 73 CO -0.12 0.72 -0.67 -0.33 0.00 0.00 0.00 176.54 176.13 1xmp h MET 74 N 0.65 0.32 -0.28 4.80 2.86 -1.13 -1.11 114.93 121.04 1xmp h MET 74 Ca 0.07 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1xmp h MET 74 Cb 0.86 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1xmp h MET 74 CO 0.08 0.88 0.07 0.28 1.06 0.00 0.00 176.91 179.28 1xmp h VAL 75 N 0.22 1.21 -0.45 -2.22 2.07 -1.11 -2.99 116.25 112.98 1xmp h VAL 75 Ca -0.02 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1xmp h VAL 75 Cb 1.22 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1xmp h VAL 75 CO 0.11 0.22 0.30 0.00 0.02 0.00 0.00 177.57 178.23 1xmp h ALA 76 N 0.90 1.90 0.00 1.67 0.00 -0.90 -0.54 119.26 122.29 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 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xmp h ALA 76 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1xmp h ALA 77 N 1.75 1.00 -0.01 0.00 0.00 -1.05 -3.25 119.26 117.69 1xmp h ALA 77 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xmp h ALA 77 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xmp h ALA 77 CO -0.05 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.83 1xmp n LYS 78 N -2.85 -0.13 -3.81 0.00 4.76 -0.25 -5.00 118.16 110.88 1xmp n LYS 78 Ca -0.00 -0.85 -0.11 0.00 -2.87 0.00 0.00 58.31 54.48 1xmp n LYS 78 Cb 0.20 -1.09 -0.08 0.00 -1.84 0.00 0.00 35.03 32.22 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 -0.44 0.09 -0.88 -0.18 -1.32 -0.96 -4.06 115.64 107.89 1xmp s THR 79 Ca 0.06 -0.73 0.17 0.00 -1.21 0.00 0.00 61.69 59.97 1xmp s THR 79 Cb 0.04 -0.79 0.66 0.00 -1.51 0.00 0.00 72.50 70.90 1xmp s THR 79 CO 0.06 -0.40 1.57 0.59 -2.21 0.00 0.00 174.62 174.23 1xmp n ASN 80 N 0.88 4.55 -4.75 8.08 4.13 -1.26 -4.70 115.26 122.19 1xmp n ASN 80 Ca -0.20 -2.53 -0.38 0.00 1.68 0.00 0.00 54.58 53.14 1xmp n ASN 80 Cb 0.58 -0.55 0.03 0.00 -1.54 0.00 0.00 39.78 38.30 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 -1.99 3.91 0.34 3.41 1.43 -1.26 -4.97 118.68 119.54 1xmp s LEU 81 Ca 0.47 2.73 -0.29 0.00 -1.03 0.00 0.00 54.13 56.01 1xmp s LEU 81 Cb 0.32 -4.22 -0.11 0.00 0.03 0.00 0.00 46.19 42.21 1xmp s LEU 81 CO 0.21 -1.43 1.50 -2.84 0.23 0.00 0.00 176.35 174.02 1xmp s PRO 82 N -2.81 4.15 -0.16 1.29 0.02 -1.26 -4.89 135.00 131.34 1xmp s PRO 82 Ca 0.69 2.52 0.01 0.00 0.02 0.00 0.00 61.00 64.24 1xmp s PRO 82 Cb -0.39 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.14 1xmp s PRO 82 CO 0.47 -0.52 -0.20 0.08 -0.33 0.00 0.00 177.00 176.50 1xmp s VAL 83 N -0.69 2.00 -0.24 3.83 1.01 -1.26 -2.02 120.40 123.01 1xmp s VAL 83 Ca 0.56 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1xmp s VAL 83 Cb -0.46 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1xmp s VAL 83 CO 0.56 0.53 0.15 -0.63 0.00 0.00 0.00 175.10 175.72 1xmp s ILE 84 N 1.17 5.25 -0.26 2.22 1.01 0.22 -0.81 121.20 130.00 1xmp s ILE 84 Ca 0.01 0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.72 1xmp s ILE 84 Cb -0.14 -3.45 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xmp s ILE 84 CO -0.09 0.33 0.10 -0.83 0.00 0.00 0.00 174.94 174.45 1xmp s GLY 85 N 1.19 1.81 -0.38 6.18 0.00 0.11 -0.27 107.32 115.97 1xmp s GLY 85 Ca 0.07 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.54 1xmp s GLY 85 CO 0.06 0.57 0.25 0.14 0.00 0.00 0.00 173.10 174.11 1xmp s VAL 86 N 1.65 5.05 -0.23 1.40 1.01 -0.58 -2.22 120.40 126.47 1xmp s VAL 86 Ca 0.07 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 1xmp s VAL 86 Cb -0.15 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1xmp s VAL 86 CO 0.06 -0.19 1.30 -2.84 0.00 0.00 0.00 175.10 173.42 1xmp s PRO 87 N 1.66 4.06 0.20 2.72 0.02 -1.26 -2.20 135.00 140.20 1xmp s PRO 87 Ca 0.05 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.24 1xmp s PRO 87 Cb -0.18 -3.83 -0.08 0.00 0.02 0.00 0.00 34.50 30.42 1xmp s PRO 87 CO 0.09 -0.93 0.90 0.08 -0.33 0.00 0.00 177.00 176.82 1xmp s VAL 88 N 3.99 4.21 -0.02 3.83 1.01 -0.44 -0.62 120.40 132.35 1xmp s VAL 88 Ca 0.56 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 64.23 1xmp s VAL 88 Cb -0.19 -4.28 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 1xmp s VAL 88 CO 0.19 0.48 1.55 -1.58 0.00 0.00 0.00 175.10 175.74 1xmp s GLN 89 N -0.98 4.22 0.42 2.72 0.74 -1.26 -4.44 119.66 121.07 1xmp s GLN 89 Ca 0.41 2.11 -0.00 0.00 0.05 0.00 0.00 55.36 57.93 1xmp s GLN 89 Cb -0.25 -3.78 -0.02 0.00 1.10 0.00 0.00 33.01 30.06 1xmp s GLN 89 CO 0.30 -0.74 0.64 -1.54 -0.55 0.00 0.00 175.29 173.41 1xmp s SER 90 N 2.66 6.03 -0.01 6.67 1.04 -1.26 -4.75 113.70 124.07 1xmp s SER 90 Ca 0.69 0.41 -0.23 0.00 0.48 0.00 0.00 55.95 57.30 1xmp s SER 90 Cb -0.33 -1.77 -0.16 0.00 0.10 0.00 0.00 66.02 63.86 1xmp s SER 90 CO 0.28 -0.56 1.09 0.50 0.98 0.00 0.00 173.24 175.53 1xmp h LYS 91 N 0.49 -0.39 0.00 4.02 3.64 -1.96 -1.86 116.57 120.50 1xmp h LYS 91 Ca -0.47 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.91 1xmp h LYS 91 Cb 1.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1xmp h LYS 91 CO 0.59 -0.06 -0.10 0.00 -2.27 0.00 0.00 179.45 177.61 1xmp h ALA 92 N -0.37 0.01 -0.53 5.00 0.00 -2.04 -3.36 119.26 117.97 1xmp h ALA 92 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xmp h ALA 92 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xmp h ALA 92 CO 0.07 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1xmp n LEU 93 N -4.62 3.53 -4.10 0.00 4.32 -1.26 -4.97 117.00 109.90 1xmp n LEU 93 Ca -0.10 -1.81 -0.34 0.00 -0.02 0.00 0.00 56.01 53.74 1xmp n LEU 93 Cb 0.44 -0.35 -0.01 0.00 -1.62 0.00 0.00 43.42 41.88 1xmp n LEU 93 CO 0.36 0.84 0.02 0.59 -1.22 0.00 0.00 177.39 177.98 1xmp n ASN 94 N 1.34 -3.85 0.00 -1.43 3.02 -0.70 -1.69 115.26 111.95 1xmp n ASN 94 Ca 0.20 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1xmp n ASN 94 Cb 0.57 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 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 -1.47 0.81 0.27 7.41 0.00 -1.24 -4.52 105.19 106.44 1xmp n GLY 95 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 0.82 -0.25 0.99 5.85 -1.68 0.27 115.31 121.30 1xmp h LEU 96 Ca 0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1xmp h LEU 96 Cb 0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1xmp h LEU 96 CO 0.00 0.75 0.05 -2.24 -0.34 0.00 0.00 178.44 176.67 1xmp h ASP 97 N 0.83 0.39 -0.41 1.25 3.04 -1.84 -2.39 116.42 117.29 1xmp h ASP 97 Ca 0.20 -0.24 0.08 0.00 -3.24 0.00 0.00 57.03 53.83 1xmp h ASP 97 Cb 0.18 -0.10 -0.07 0.00 -1.04 0.00 0.00 39.33 38.29 1xmp h ASP 97 CO -0.02 0.53 -0.05 0.28 -2.04 0.00 0.00 179.24 177.94 1xmp h SER 98 N 0.23 -0.28 0.26 4.15 0.02 -1.18 -1.62 113.55 115.14 1xmp h SER 98 Ca 0.08 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1xmp h SER 98 Cb 0.30 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1xmp h SER 98 CO 0.00 -0.10 -0.12 0.25 -1.14 0.00 0.00 176.83 175.72 1xmp h LEU 99 N 0.05 -0.29 -1.03 5.07 5.85 -0.41 -2.64 115.31 121.90 1xmp h LEU 99 Ca 0.20 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 1xmp h LEU 99 Cb 0.30 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1xmp h LEU 99 CO -0.38 -0.15 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.37 1xmp h LEU 100 N -0.42 0.53 -1.87 2.25 3.38 -1.23 0.13 115.31 118.08 1xmp h LEU 100 Ca -0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1xmp h LEU 100 Cb 0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xmp h LEU 100 CO 0.06 0.69 -0.08 0.28 0.09 0.00 0.00 178.44 179.48 1xmp h SER 101 N 0.50 0.00 0.01 -0.43 0.02 -1.22 -2.99 113.55 109.44 1xmp h SER 101 Ca 0.09 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.64 1xmp h SER 101 Cb 0.52 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.00 1xmp h SER 101 CO 0.03 0.08 -2.25 -0.38 -1.14 0.00 0.00 176.83 173.17 1xmp n ILE 102 N -4.36 1.54 0.11 3.27 5.41 -0.74 -4.67 119.36 119.91 1xmp n ILE 102 Ca -0.03 -0.35 -0.04 0.00 1.00 0.00 0.00 62.75 63.33 1xmp n ILE 102 Cb 0.16 -1.84 0.10 0.00 -0.71 0.00 0.00 39.64 37.34 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 -0.81 1.48 -0.24 1.39 3.04 -0.83 -3.35 116.25 116.92 1xmp h VAL 103 Ca -0.60 -2.34 -0.15 0.00 -1.01 0.00 0.00 66.70 62.60 1xmp h VAL 103 Cb 1.61 2.25 -0.07 0.00 -2.01 0.00 0.00 31.29 33.07 1xmp h VAL 103 CO -0.31 0.67 0.19 0.00 -1.01 0.00 0.00 177.57 177.11 1xmp n GLN 104 N -3.74 1.37 -1.98 4.17 1.13 -1.13 -4.91 117.38 112.29 1xmp n GLN 104 Ca -0.02 -0.78 -0.39 0.00 -1.94 0.00 0.00 57.00 53.88 1xmp n GLN 104 Cb 0.69 -1.30 0.01 0.00 0.11 0.00 0.00 30.24 29.74 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 -0.88 3.76 0.66 -1.09 -1.94 -1.26 -4.99 119.30 113.56 1xmp s MET 105 Ca 0.15 2.19 -0.12 0.00 -1.71 0.00 0.00 55.69 56.20 1xmp s MET 105 Cb 0.12 -2.63 -0.01 0.00 2.01 0.00 0.00 34.83 34.32 1xmp s MET 105 CO 0.01 -0.67 1.05 -1.25 -0.01 0.00 0.00 175.02 174.15 1xmp s PRO 106 N -2.43 3.19 0.10 2.03 0.04 -1.26 -4.95 135.00 131.72 1xmp s PRO 106 Ca 0.61 0.93 -0.36 0.00 0.04 0.00 0.00 61.00 62.22 1xmp s PRO 106 Cb -0.39 -2.02 -0.15 0.00 0.04 0.00 0.00 34.50 31.98 1xmp s PRO 106 CO 0.49 -0.90 1.47 0.41 0.04 0.00 0.00 177.00 178.51 1xmp n GLY 107 N -2.07 0.79 0.00 0.56 0.00 -1.26 -2.57 105.19 100.64 1xmp n GLY 107 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.79 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 3.01 1.59 2.30 -0.02 0.00 -1.26 -5.02 105.19 105.80 1xmp n GLY 108 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.18 -0.56 -1.96 1.61 0.31 -1.06 -5.05 118.33 111.43 1xmp n VAL 109 Ca 0.00 -3.93 -0.38 0.00 -0.01 0.00 0.00 64.34 60.02 1xmp n VAL 109 Cb 0.00 -1.88 0.02 0.00 -0.91 0.00 0.00 33.84 31.08 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 -0.87 3.37 -0.09 5.55 0.04 -1.26 -4.58 135.00 137.16 1xmp s PRO 110 Ca 0.34 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.46 1xmp s PRO 110 Cb 0.12 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.36 1xmp s PRO 110 CO -0.14 -0.95 -0.12 0.08 0.04 0.00 0.00 177.00 175.91 1xmp s VAL 111 N -1.40 1.24 -0.63 -0.36 1.01 -1.26 -4.70 120.40 114.30 1xmp s VAL 111 Ca 0.69 -0.50 -0.27 0.00 0.00 0.00 0.00 61.98 61.89 1xmp s VAL 111 Cb -0.36 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 34.89 1xmp s VAL 111 CO 0.43 0.39 1.38 0.00 0.00 0.00 0.00 175.10 177.30 1xmp s ALA 112 N 0.96 2.75 -0.12 5.51 0.00 0.01 -4.86 121.76 126.00 1xmp s ALA 112 Ca -0.08 -0.92 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1xmp s ALA 112 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 1xmp s ALA 112 CO -0.00 -3.11 0.23 0.99 0.00 0.00 0.00 175.76 173.87 1xmp s THR 113 N 6.10 5.34 0.52 0.00 2.01 -1.26 -0.71 115.64 127.64 1xmp s THR 113 Ca 0.47 0.43 0.02 0.00 0.31 0.00 0.00 61.69 62.91 1xmp s THR 113 Cb -0.10 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1xmp s THR 113 CO 0.21 0.52 0.11 0.68 -0.69 0.00 0.00 174.62 175.45 1xmp s VAL 114 N -0.40 1.26 0.72 3.82 -7.23 -0.94 -4.96 120.40 112.66 1xmp s VAL 114 Ca 0.16 -1.87 -0.16 0.00 -1.81 0.00 0.00 61.98 58.30 1xmp s VAL 114 Cb -0.13 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1xmp s VAL 114 CO 0.05 0.00 1.05 0.00 -0.31 0.00 0.00 175.10 175.89 1xmp n ALA 115 N -1.41 -0.00 -1.80 1.32 0.00 -1.26 -4.41 120.51 112.95 1xmp n ALA 115 Ca -0.15 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1xmp n ALA 115 Cb 0.66 -2.17 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 1xmp n ALA 115 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xmp s ILE 116 N -1.80 2.24 0.00 0.00 1.01 -1.26 -3.51 121.20 117.88 1xmp s ILE 116 Ca 0.75 0.20 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1xmp s ILE 116 Cb -0.34 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1xmp s ILE 116 CO 0.49 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1xmp n GLY 117 N 2.40 -0.90 0.27 6.18 0.00 0.20 -4.20 105.19 109.14 1xmp n GLY 117 Ca 0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 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 0.68 -0.51 1.61 1.57 -1.88 -0.94 116.57 117.11 1xmp h LYS 118 Ca 0.00 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1xmp h LYS 118 Cb 0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1xmp h LYS 118 CO 0.00 0.75 0.21 0.00 -0.57 0.00 0.00 179.45 179.84 1xmp h ALA 119 N 1.29 0.63 -0.70 3.86 0.00 -1.90 -1.10 119.26 121.35 1xmp h ALA 119 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xmp h ALA 119 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1xmp h ALA 119 CO 0.03 -0.18 0.45 0.78 0.00 0.00 0.00 179.25 180.34 1xmp h GLY 120 N 0.40 0.99 0.88 0.00 0.00 -1.37 -1.73 103.07 102.24 1xmp h GLY 120 Ca 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 1xmp h GLY 120 CO -0.22 0.33 0.02 0.23 0.00 0.00 0.00 176.54 176.90 1xmp h SER 121 N 0.91 0.05 -0.52 0.19 0.87 -0.61 0.14 113.55 114.59 1xmp h SER 121 Ca 0.26 -0.13 0.10 0.00 -1.23 0.00 0.00 61.79 60.80 1xmp h SER 121 Cb -0.06 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 61.79 1xmp h SER 121 CO -0.07 0.16 -0.13 0.74 -0.53 0.00 0.00 176.83 177.00 1xmp h THR 122 N -0.07 0.48 0.00 2.23 2.02 -1.16 -2.25 112.91 114.17 1xmp h THR 122 Ca 0.01 -0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 1xmp h THR 122 Cb 0.13 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1xmp h THR 122 CO -0.00 0.00 -0.26 0.78 0.37 0.00 0.00 175.52 176.41 1xmp h ASN 123 N 0.00 0.00 -0.43 4.18 -0.26 -0.81 -2.00 115.58 116.26 1xmp h ASN 123 Ca 0.25 0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.88 1xmp h ASN 123 Cb 0.38 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1xmp h ASN 123 CO -0.53 0.26 -0.13 0.00 -1.06 0.00 0.00 177.43 175.97 1xmp h ALA 124 N 1.74 0.87 -0.23 -0.83 0.00 -0.15 0.12 119.26 120.77 1xmp h ALA 124 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xmp h ALA 124 Cb 0.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xmp h ALA 124 CO 0.03 0.64 0.14 0.78 0.00 0.00 0.00 179.25 180.85 1xmp h GLY 125 N 0.96 0.34 1.20 0.00 0.00 -1.00 -0.89 103.07 103.68 1xmp h GLY 125 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1xmp h GLY 125 CO 0.05 0.14 0.10 1.41 0.00 0.00 0.00 176.54 178.24 1xmp h LEU 126 N 0.29 0.94 -0.31 3.11 3.38 -1.15 -1.89 115.31 119.67 1xmp h LEU 126 Ca 0.08 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1xmp h LEU 126 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1xmp h LEU 126 CO -0.02 0.93 -0.17 0.25 0.09 0.00 0.00 178.44 179.53 1xmp h LEU 127 N 0.93 0.68 -0.90 1.67 5.85 -0.60 0.29 115.31 123.22 1xmp h LEU 127 Ca 0.19 -0.42 0.11 0.00 0.84 0.00 0.00 57.88 58.61 1xmp h LEU 127 Cb 0.40 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 1xmp h LEU 127 CO 0.01 0.95 0.54 0.00 -0.34 0.00 0.00 178.44 179.59 1xmp h ALA 128 N 0.75 1.34 -0.54 1.25 0.00 -1.03 -0.13 119.26 120.90 1xmp h ALA 128 Ca 0.07 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1xmp h ALA 128 Cb 0.70 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xmp h ALA 128 CO 0.05 0.12 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1xmp h ALA 129 N 1.51 0.73 -0.81 0.00 0.00 -0.88 -1.58 119.26 118.23 1xmp h ALA 129 Ca 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xmp h ALA 129 Cb 0.46 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1xmp h ALA 129 CO -0.27 0.59 0.42 1.96 0.00 0.00 0.00 179.25 181.94 1xmp h GLN 130 N 0.86 1.16 -0.04 0.00 4.20 -0.46 0.73 115.11 121.55 1xmp h GLN 130 Ca 0.15 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xmp h GLN 130 Cb 0.58 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xmp h GLN 130 CO 0.03 0.88 0.03 0.82 -0.67 0.00 0.00 178.83 179.92 1xmp h ILE 131 N 1.14 1.05 -0.64 2.54 2.04 -0.84 -0.72 117.51 122.09 1xmp h ILE 131 Ca 0.28 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 66.03 1xmp h ILE 131 Cb 0.08 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1xmp h ILE 131 CO -0.04 0.04 0.40 -0.07 0.00 0.00 0.00 178.15 178.48 1xmp h LEU 132 N 0.01 0.67 -1.95 1.44 3.38 -1.05 -2.39 115.31 115.43 1xmp h LEU 132 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xmp h LEU 132 Cb 0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xmp h LEU 132 CO -0.00 0.47 0.00 1.23 0.09 0.00 0.00 178.44 180.23 1xmp h GLY 133 N 0.80 0.00 2.00 0.83 0.00 0.93 0.22 103.07 107.84 1xmp h GLY 133 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1xmp h GLY 133 CO -0.09 0.00 -0.07 1.48 0.00 0.00 0.00 176.54 177.86 1xmp h SER 134 N 0.00 0.00 0.00 0.19 4.64 -0.59 -3.29 113.55 114.50 1xmp h SER 134 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xmp h SER 134 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1xmp h SER 134 CO 0.00 0.07 0.00 2.22 -0.87 0.00 0.00 176.83 178.25 1xmp n PHE 135 N -3.28 0.00 -3.96 4.77 1.16 -0.24 -4.94 117.46 110.97 1xmp n PHE 135 Ca -0.01 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 1xmp n PHE 135 Cb 0.28 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.01 1xmp n PHE 135 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 1xmp s HIS 136 N -0.32 3.62 0.35 2.97 3.76 0.61 -4.99 115.29 121.30 1xmp s HIS 136 Ca 0.00 -2.94 0.09 0.00 -0.15 0.00 0.00 55.06 52.06 1xmp s HIS 136 Cb 0.00 -2.96 0.83 0.00 1.11 0.00 0.00 32.58 31.55 1xmp s HIS 136 CO 0.00 -0.91 1.85 -0.44 -0.85 0.00 0.00 174.74 174.39 1xmp h ASP 137 N 7.45 0.66 -0.94 1.40 3.32 -1.87 -1.90 116.42 124.53 1xmp h ASP 137 Ca -0.06 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1xmp h ASP 137 Cb 1.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 1xmp h ASP 137 CO 0.58 0.31 0.57 -2.24 -1.72 0.00 0.00 179.24 176.74 1xmp h ASP 138 N 0.68 1.14 -0.32 6.45 2.03 -1.94 -0.27 116.42 124.20 1xmp h ASP 138 Ca 0.47 -0.07 -0.12 0.00 -0.73 0.00 0.00 57.03 56.59 1xmp h ASP 138 Cb 0.79 -0.29 -0.01 0.00 -0.83 0.00 0.00 39.33 39.00 1xmp h ASP 138 CO -0.23 0.87 -0.26 0.40 -1.03 0.00 0.00 179.24 179.00 1xmp h ILE 139 N 1.30 1.29 -0.46 4.15 2.04 -1.71 -1.91 117.51 122.21 1xmp h ILE 139 Ca 0.34 -1.41 0.05 0.00 1.00 0.00 0.00 64.86 64.84 1xmp h ILE 139 Cb -0.05 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1xmp h ILE 139 CO -0.06 0.46 0.20 -0.74 0.00 0.00 0.00 178.15 178.00 1xmp h HIS 140 N 0.51 0.36 -0.20 1.37 2.76 -1.04 -1.02 115.15 117.88 1xmp h HIS 140 Ca 0.06 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 1xmp h HIS 140 Cb 0.82 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.67 1xmp h HIS 140 CO 0.07 0.16 -0.21 -0.44 -1.30 0.00 0.00 177.93 176.20 1xmp h ASP 141 N 0.40 0.35 -0.38 3.26 3.32 -0.98 -0.89 116.42 121.50 1xmp h ASP 141 Ca 0.21 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1xmp h ASP 141 Cb 0.16 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xmp h ASP 141 CO -0.18 0.58 -0.21 0.00 -1.72 0.00 0.00 179.24 177.71 1xmp h ALA 142 N 1.46 0.81 -0.63 3.45 0.00 -0.97 -0.78 119.26 122.59 1xmp h ALA 142 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xmp h ALA 142 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1xmp h ALA 142 CO 0.04 0.65 0.41 -0.07 0.00 0.00 0.00 179.25 180.28 1xmp h LEU 143 N 0.76 0.73 -0.59 0.00 3.38 -0.58 -0.74 115.31 118.27 1xmp h LEU 143 Ca 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1xmp h LEU 143 Cb 0.75 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xmp h LEU 143 CO 0.06 0.54 0.24 -0.33 0.09 0.00 0.00 178.44 179.04 1xmp h GLU 144 N 0.85 0.87 -0.58 1.13 4.39 -0.94 -1.89 114.58 118.42 1xmp h GLU 144 Ca 0.23 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1xmp h GLU 144 Cb -0.08 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.40 1xmp h GLU 144 CO -0.05 0.74 0.25 1.25 -1.16 0.00 0.00 179.01 180.04 1xmp h LEU 145 N 0.81 0.78 -0.38 1.33 6.46 -0.84 -0.67 115.31 122.80 1xmp h LEU 145 Ca 0.20 -0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1xmp h LEU 145 Cb 0.18 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1xmp h LEU 145 CO -0.02 0.72 0.17 -0.09 -0.62 0.00 0.00 178.44 178.60 1xmp h ARG 146 N 0.80 0.56 -0.71 1.25 2.43 -0.96 -1.73 114.38 116.01 1xmp h ARG 146 Ca 0.20 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 1xmp h ARG 146 Cb 0.16 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1xmp h ARG 146 CO -0.02 0.52 0.23 -0.09 -1.51 0.00 0.00 179.97 179.10 1xmp h ARG 147 N 0.47 1.10 -0.59 0.20 2.43 -1.21 -2.43 114.38 114.36 1xmp h ARG 147 Ca 0.13 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1xmp h ARG 147 Cb 0.16 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1xmp h ARG 147 CO -0.01 0.93 0.21 1.49 -1.51 0.00 0.00 179.97 181.08 1xmp h GLU 148 N 1.06 0.90 -0.66 0.20 4.81 -0.90 0.18 114.58 120.17 1xmp h GLU 148 Ca 0.23 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1xmp h GLU 148 Cb 0.29 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1xmp h GLU 148 CO -0.01 0.79 0.20 0.00 -0.73 0.00 0.00 179.01 179.26 1xmp h ALA 149 N 1.07 0.86 -0.42 2.92 0.00 -1.14 -2.36 119.26 120.18 1xmp h ALA 149 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xmp h ALA 149 Cb 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xmp h ALA 149 CO -0.01 0.54 0.14 0.82 0.00 0.00 0.00 179.25 180.74 1xmp h ILE 150 N 0.96 1.21 -0.73 0.00 2.04 -1.17 -2.00 117.51 117.82 1xmp h ILE 150 Ca 0.21 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.44 1xmp h ILE 150 Cb 0.30 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1xmp h ILE 150 CO -0.01 0.25 0.42 -0.08 0.00 0.00 0.00 178.15 178.73 1xmp h GLU 151 N 0.54 0.73 -0.34 2.37 4.22 -0.70 -0.15 114.58 121.25 1xmp h GLU 151 Ca 0.14 -0.04 -0.09 0.00 0.08 0.00 0.00 59.36 59.44 1xmp h GLU 151 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xmp h GLU 151 CO -0.01 0.48 -0.14 -0.22 -2.18 0.00 0.00 179.01 176.95 1xmp h LYS 152 N 0.75 0.69 -0.12 1.92 3.64 -1.29 -1.07 116.57 121.09 1xmp h LYS 152 Ca 0.33 -0.29 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1xmp h LYS 152 Cb 0.22 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 1xmp h LYS 152 CO -0.20 0.88 0.02 0.22 -2.27 0.00 0.00 179.45 178.11 1xmp h ASP 153 N 0.47 0.01 0.21 4.20 3.58 -0.91 0.11 116.42 124.08 1xmp h ASP 153 Ca 0.08 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1xmp h ASP 153 Cb 0.66 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.74 1xmp h ASP 153 CO 0.04 0.03 -0.10 0.58 -2.88 0.00 0.00 179.24 176.91 1xmp h VAL 154 N 0.08 0.86 -0.35 2.25 2.07 -1.02 -3.25 116.25 116.89 1xmp h VAL 154 Ca 0.05 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xmp h VAL 154 Cb 0.04 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1xmp h VAL 154 CO -0.07 0.08 0.22 -0.09 0.02 0.00 0.00 177.57 177.73 1xmp h ARG 155 N -0.46 0.47 -0.02 1.57 2.43 -1.11 -3.51 114.38 113.74 1xmp h ARG 155 Ca -0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xmp h ARG 155 Cb 0.35 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1xmp h ARG 155 CO 0.05 0.34 0.00 0.39 -1.51 0.00 0.00 179.97 179.24