#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d87 n ALA 2 N 0.00 -1.69 -1.68 2.89 0.00 -1.26 -4.81 120.51 113.97 3d87 n ALA 2 Ca 0.00 -0.16 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 3d87 n ALA 2 Cb 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 19.45 17.64 3d87 n ALA 2 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3d87 n VAL 3 N -2.04 0.55 -0.42 0.00 0.24 -1.26 -4.93 118.33 110.47 3d87 n VAL 3 Ca 0.10 -0.10 -0.30 0.00 -2.04 0.00 0.00 64.34 62.00 3d87 n VAL 3 Cb 0.49 -2.02 0.28 0.00 -1.47 0.00 0.00 33.84 31.13 3d87 n VAL 3 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3d87 s PRO 4 N 3.70 -2.64 -0.05 7.34 0.04 -1.26 -5.03 135.00 137.10 3d87 s PRO 4 Ca 0.89 0.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.84 3d87 s PRO 4 Cb -0.58 -1.40 0.12 0.00 0.04 0.00 0.00 34.50 32.68 3d87 s PRO 4 CO 0.45 -4.71 1.35 0.20 0.04 0.00 0.00 177.00 174.34 3d87 s GLY 5 N -3.08 -0.38 0.00 0.56 0.00 -1.26 -4.56 107.32 98.60 3d87 s GLY 5 Ca 0.69 0.62 0.00 0.00 0.00 0.00 0.00 44.72 46.03 3d87 s GLY 5 CO 0.59 1.86 0.00 0.61 0.00 0.00 0.00 173.10 176.16 3d87 n GLY 6 N -0.62 1.01 0.38 0.20 0.00 -1.26 -5.07 105.19 99.83 3d87 n GLY 6 Ca -0.05 -1.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.86 3d87 n GLY 6 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d87 n SER 7 N 0.00 0.11 0.00 1.61 7.64 -1.26 -4.89 113.62 116.84 3d87 n SER 7 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3d87 n SER 7 Cb 0.00 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3d87 n SER 7 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3d87 n SER 8 N 0.54 0.00 -2.31 6.43 7.64 -1.26 -4.99 113.62 119.68 3d87 n SER 8 Ca 0.04 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.90 3d87 n SER 8 Cb -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3d87 n SER 8 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3d87 n PRO 9 N 0.00 1.13 -0.21 1.43 -0.02 -1.26 -4.95 135.00 131.12 3d87 n PRO 9 Ca 0.00 -0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 60.97 3d87 n PRO 9 Cb 0.00 -0.00 -0.04 0.00 -0.02 0.00 0.00 33.50 33.44 3d87 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d87 n ALA 10 N -2.91 1.05 -0.09 3.55 0.00 -1.26 -4.69 120.51 116.16 3d87 n ALA 10 Ca -0.02 -1.03 0.07 0.00 0.00 0.00 0.00 53.44 52.47 3d87 n ALA 10 Cb 0.06 -2.96 0.12 0.00 0.00 0.00 0.00 19.45 16.67 3d87 n ALA 10 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3d87 n TRP 11 N 6.42 0.11 -0.07 0.00 5.03 -1.26 -1.12 117.44 126.55 3d87 n TRP 11 Ca 0.18 0.11 -0.09 0.00 3.03 0.00 0.00 57.50 60.73 3d87 n TRP 11 Cb 0.16 -0.41 -0.06 0.00 -1.03 0.00 0.00 31.31 29.97 3d87 n TRP 11 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3d87 h THR 12 N 0.00 0.54 0.00 -0.99 2.02 -1.88 0.72 112.91 113.31 3d87 h THR 12 Ca 0.16 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.82 3d87 h THR 12 Cb 0.52 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3d87 h THR 12 CO -0.07 0.18 0.00 1.56 0.37 0.00 0.00 175.52 177.56 3d87 h GLN 13 N -1.00 0.00 0.00 6.66 4.20 -1.53 4.25 115.11 127.69 3d87 h GLN 13 Ca -0.08 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3d87 h GLN 13 Cb 0.65 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 3d87 h GLN 13 CO -0.05 0.00 -0.18 0.00 -0.67 0.00 0.00 178.83 177.93 3d87 h GLN 15 N -1.00 0.00 0.00 0.00 -0.00 0.40 0.76 115.11 115.27 3d87 h GLN 15 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 3d87 h GLN 15 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.22 3d87 h GLN 15 CO -0.03 0.12 0.00 1.04 0.00 0.00 0.00 178.83 179.96 3d87 n GLN 16 N -3.26 0.00 -0.34 1.69 3.00 1.36 -3.09 117.38 116.74 3d87 n GLN 16 Ca 0.00 0.14 0.30 0.00 -0.01 0.00 0.00 57.00 57.43 3d87 n GLN 16 Cb 0.37 -0.77 0.56 0.00 0.00 0.00 0.00 30.24 30.40 3d87 n GLN 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3d87 h LEU 17 N 0.00 0.38 -1.29 1.08 5.85 -0.85 0.12 115.31 120.60 3d87 h LEU 17 Ca 0.00 0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 3d87 h LEU 17 Cb 0.00 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3d87 h LEU 17 CO 0.00 -0.31 -0.12 0.77 -0.34 0.00 0.00 178.44 178.43 3d87 h SER 18 N 0.11 0.31 0.80 1.25 4.64 -0.96 0.24 113.55 119.94 3d87 h SER 18 Ca 0.81 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.88 3d87 h SER 18 Cb 2.10 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 64.08 3d87 h SER 18 CO -0.68 0.47 -1.31 -0.61 -0.87 0.00 0.00 176.83 173.84 3d87 h GLN 19 N 0.31 0.00 -0.08 4.77 4.15 -0.71 -2.52 115.11 121.03 3d87 h GLN 19 Ca 0.06 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 3d87 h GLN 19 Cb 0.41 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 3d87 h GLN 19 CO 0.02 0.39 -0.50 0.87 -1.93 0.00 0.00 178.83 177.68 3d87 h LYS 20 N 0.00 0.21 -0.54 1.69 1.57 -1.04 -2.78 116.57 115.66 3d87 h LYS 20 Ca -0.15 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3d87 h LYS 20 Cb 1.63 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 3d87 h LYS 20 CO 0.06 0.66 0.34 1.25 -0.57 0.00 0.00 179.45 181.19 3d87 h LEU 21 N 0.16 0.57 -0.55 2.94 6.46 -0.39 -1.35 115.31 123.16 3d87 h LEU 21 Ca 0.01 -0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3d87 h LEU 21 Cb 0.95 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.73 3d87 h LEU 21 CO 0.08 0.41 0.09 0.00 -0.62 0.00 0.00 178.44 178.39 3d87 h THR 23 N 0.79 1.24 0.41 0.00 2.02 -1.25 -2.31 112.91 113.82 3d87 h THR 23 Ca 0.17 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 3d87 h THR 23 Cb 0.40 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3d87 h THR 23 CO 0.01 0.25 -0.24 0.25 0.37 0.00 0.00 175.52 176.16 3d87 h LEU 24 N 1.23 -0.59 -0.92 2.58 6.46 -0.59 -0.35 115.31 123.13 3d87 h LEU 24 Ca 0.32 0.03 0.26 0.00 -0.12 0.00 0.00 57.88 58.38 3d87 h LEU 24 Cb -0.07 0.17 -0.15 0.00 -0.73 0.00 0.00 40.66 39.88 3d87 h LEU 24 CO -0.06 -0.39 0.22 0.00 -0.62 0.00 0.00 178.44 177.59 3d87 h ALA 25 N -0.05 1.34 -0.04 1.25 0.00 -0.75 -0.38 119.26 120.64 3d87 h ALA 25 Ca -0.05 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3d87 h ALA 25 Cb 0.50 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3d87 h ALA 25 CO 0.06 -0.54 -0.13 -1.49 0.00 0.00 0.00 179.25 177.14 3d87 h TRP 26 N 0.14 0.22 -0.51 0.00 4.06 -0.87 -2.96 115.95 116.03 3d87 h TRP 26 Ca 0.59 -0.09 0.10 0.00 2.06 0.00 0.00 58.89 61.55 3d87 h TRP 26 Cb 1.25 -0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 29.29 3d87 h TRP 26 CO -0.29 0.75 -0.01 0.77 -3.56 0.00 0.00 178.44 176.11 3d87 h SER 27 N -0.38 -0.24 0.00 -3.49 0.02 -0.31 0.71 113.55 109.86 3d87 h SER 27 Ca -0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3d87 h SER 27 Cb 0.76 0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3d87 h SER 27 CO 0.03 -0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.64 3d87 n ALA 28 N -2.69 2.15 0.00 3.77 0.00 -0.22 -4.16 120.51 119.35 3d87 n ALA 28 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3d87 n ALA 28 Cb 0.27 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3d87 n ALA 28 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3d87 n HIS 29 N -0.84 0.00 -0.84 0.00 -0.00 0.84 -4.83 115.22 109.54 3d87 n HIS 29 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.46 3d87 n HIS 29 Cb 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.13 3d87 n HIS 29 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3d87 n PRO 30 N 0.00 -0.78 0.30 1.57 -0.02 0.21 -4.71 135.00 131.57 3d87 n PRO 30 Ca 0.00 -0.22 0.19 0.00 -2.02 0.00 0.00 63.50 61.45 3d87 n PRO 30 Cb 0.00 -1.33 0.95 0.00 -0.02 0.00 0.00 33.50 33.10 3d87 n PRO 30 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3d87 h LEU 31 N -1.52 0.00 -3.83 2.45 5.85 -1.99 -2.68 115.31 113.60 3d87 h LEU 31 Ca -0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 3d87 h LEU 31 Cb 1.37 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3d87 h LEU 31 CO 0.29 0.03 -0.02 0.52 -0.34 0.00 0.00 178.44 178.92 3d87 n VAL 32 N -3.24 1.49 -0.27 1.05 0.31 -1.26 -4.71 118.33 111.69 3d87 n VAL 32 Ca -0.02 -0.57 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 3d87 n VAL 32 Cb 0.18 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 3d87 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d87 n GLY 33 N 2.13 1.53 3.06 2.92 0.00 -1.01 -5.07 105.19 108.75 3d87 n GLY 33 Ca 0.11 -1.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 3d87 n GLY 33 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d87 s HIS 34 N 2.59 3.68 0.00 1.61 2.46 -1.26 -4.98 115.29 119.39 3d87 s HIS 34 Ca 0.00 -2.78 0.00 0.00 0.47 0.00 0.00 55.06 52.75 3d87 s HIS 34 Cb 0.00 -3.05 0.00 0.00 -0.13 0.00 0.00 32.58 29.40 3d87 s HIS 34 CO 0.00 -0.95 0.31 -1.33 -2.47 0.00 0.00 174.74 170.29 3d87 n MET 35 N 4.34 0.00 0.00 2.88 0.00 -1.26 -4.86 117.12 118.22 3d87 n MET 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 3d87 n MET 35 Cb 0.41 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 32.15 3d87 n MET 35 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3d87 n ASP 36 N 2.60 0.00 -4.28 7.83 8.00 -1.26 -4.96 116.55 124.49 3d87 n ASP 36 Ca 0.00 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.17 3d87 n ASP 36 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 3d87 n ASP 36 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3d87 s LEU 37 N 0.00 2.46 0.00 0.64 -0.00 -1.26 -5.29 118.68 115.22 3d87 s LEU 37 Ca 0.00 -0.46 0.00 0.00 -0.00 0.00 0.00 54.13 53.67 3d87 s LEU 37 Cb 0.00 -1.55 0.00 0.00 -0.00 0.00 0.00 46.19 44.64 3d87 s LEU 37 CO 0.00 0.11 0.00 -1.14 -0.00 0.00 0.00 176.35 175.32 3d87 n ARG 38 N 3.89 3.92 0.00 1.48 3.00 -1.26 -5.33 116.66 122.36 3d87 n ARG 38 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 3d87 n ARG 38 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 3d87 n ARG 38 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 3d87 n GLU 44 N 0.00 0.00 0.12 -0.14 2.13 -1.26 -5.31 120.64 116.18 3d87 n GLU 44 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 3d87 n GLU 44 Cb 0.00 0.00 0.26 0.00 0.27 0.00 0.00 31.44 31.97 3d87 n GLU 44 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3d87 h THR 45 N 0.00 0.00 -3.91 6.31 2.02 -2.10 -3.50 112.91 111.73 3d87 h THR 45 Ca 0.00 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3d87 h THR 45 Cb 0.00 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3d87 h THR 45 CO 0.00 0.00 -0.95 0.35 0.37 0.00 0.00 175.52 175.29 3d87 n THR 46 N -2.43 -4.60 -0.80 3.16 -2.24 -1.26 -4.46 114.28 101.64 3d87 n THR 46 Ca 0.04 2.15 -0.09 0.00 -2.27 0.00 0.00 64.05 63.88 3d87 n THR 46 Cb 0.46 -3.11 -0.03 0.00 -2.10 0.00 0.00 70.33 65.56 3d87 n THR 46 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3d87 n ASN 47 N -1.47 5.75 -0.27 3.42 4.13 -1.26 -4.94 115.26 120.62 3d87 n ASN 47 Ca 0.00 -2.68 -0.02 0.00 1.68 0.00 0.00 54.58 53.55 3d87 n ASN 47 Cb 0.16 -1.18 0.00 0.00 -1.54 0.00 0.00 39.78 37.23 3d87 n ASN 47 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3d87 n ASP 48 N 1.31 -0.34 -4.88 6.41 3.85 -1.26 -5.03 116.55 116.61 3d87 n ASP 48 Ca 0.21 0.02 -0.21 0.00 -0.71 0.00 0.00 54.79 54.11 3d87 n ASP 48 Cb 0.60 -0.05 -0.03 0.00 -1.35 0.00 0.00 41.12 40.30 3d87 n ASP 48 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 3d87 s VAL 49 N -0.13 2.61 0.53 2.12 -7.23 -1.26 -5.10 120.40 111.94 3d87 s VAL 49 Ca 0.03 -1.33 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 3d87 s VAL 49 Cb -0.02 -2.94 -0.06 0.00 0.56 0.00 0.00 36.38 33.92 3d87 s VAL 49 CO 0.05 0.00 1.10 -2.84 -0.31 0.00 0.00 175.10 173.10 3d87 s PRO 50 N -4.16 3.46 -0.02 4.82 0.02 -1.26 -5.04 135.00 132.82 3d87 s PRO 50 Ca 0.48 1.53 0.02 0.00 0.02 0.00 0.00 61.00 63.06 3d87 s PRO 50 Cb -0.03 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.46 3d87 s PRO 50 CO 0.28 -0.75 -0.08 -1.01 -0.33 0.00 0.00 177.00 175.11 3d87 s HIS 51 N -1.85 0.88 -1.15 6.54 3.76 -1.26 -4.94 115.29 117.27 3d87 s HIS 51 Ca 0.71 -0.21 -0.20 0.00 -0.15 0.00 0.00 55.06 55.20 3d87 s HIS 51 Cb -0.22 -0.63 -0.05 0.00 1.11 0.00 0.00 32.58 32.79 3d87 s HIS 51 CO 0.26 -0.09 1.92 -0.89 -0.85 0.00 0.00 174.74 175.08 3d87 n ILE 52 N 3.27 2.58 -1.36 0.60 5.41 -1.26 -4.87 119.36 123.72 3d87 n ILE 52 Ca -0.18 -2.55 -0.30 0.00 1.00 0.00 0.00 62.75 60.72 3d87 n ILE 52 Cb 0.55 -2.30 0.24 0.00 -0.71 0.00 0.00 39.64 37.41 3d87 n ILE 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3d87 s GLN 53 N 5.21 -0.89 0.00 0.38 -2.07 -1.26 -4.93 119.66 116.09 3d87 s GLN 53 Ca 0.60 -0.29 0.00 0.00 -1.82 0.00 0.00 55.36 53.85 3d87 s GLN 53 Cb 0.06 -1.66 0.00 0.00 -1.09 0.00 0.00 33.01 30.32 3d87 s GLN 53 CO 0.09 -3.45 0.00 0.00 -1.32 0.00 0.00 175.29 170.61 3d87 n GLY 55 N 0.00 2.07 0.34 0.00 0.00 -1.26 -3.83 105.19 102.51 3d87 n GLY 55 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3d87 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d87 n ASP 56 N 1.49 1.09 -2.13 1.61 9.92 -0.98 -4.94 116.55 122.60 3d87 n ASP 56 Ca 0.00 -1.30 -0.10 0.00 -0.53 0.00 0.00 54.79 52.86 3d87 n ASP 56 Cb 0.41 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.93 3d87 n ASP 56 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3d87 n GLY 57 N 1.15 0.12 0.74 0.44 0.00 -1.25 -1.77 105.19 104.64 3d87 n GLY 57 Ca 0.19 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3d87 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d87 s ASP 59 N -2.23 5.65 0.26 0.00 3.84 -1.26 -4.80 116.67 118.13 3d87 s ASP 59 Ca 0.40 0.92 -0.05 0.00 -0.00 0.00 0.00 52.55 53.83 3d87 s ASP 59 Cb 0.34 -1.88 0.30 0.00 -1.38 0.00 0.00 42.92 40.30 3d87 s ASP 59 CO 0.06 -1.10 1.93 1.55 -0.00 0.00 0.00 175.17 177.61 3d87 h PRO 60 N -0.31 1.25 0.52 2.11 0.13 -1.98 -3.03 132.00 130.69 3d87 h PRO 60 Ca -0.45 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 3d87 h PRO 60 Cb 1.25 -0.27 0.01 0.00 0.13 0.00 0.00 31.00 32.11 3d87 h PRO 60 CO 0.62 0.84 -0.25 -0.56 -0.23 0.00 0.00 178.00 178.42 3d87 h GLN 61 N 1.28 -0.68 0.00 0.86 3.07 -1.96 -3.18 115.11 114.50 3d87 h GLN 61 Ca 0.34 0.05 0.00 0.00 0.09 0.00 0.00 58.65 59.13 3d87 h GLN 61 Cb -0.11 0.15 0.00 0.00 0.08 0.00 0.00 27.48 27.60 3d87 h GLN 61 CO -0.07 -0.45 0.11 0.41 0.09 0.00 0.00 178.83 178.92 3d87 n GLY 62 N -0.09 -0.17 0.11 0.06 0.00 -1.23 -0.65 105.19 103.22 3d87 n GLY 62 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3d87 n GLY 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d87 n LEU 63 N -1.08 1.19 -0.33 0.99 4.77 -1.15 -3.12 117.00 118.27 3d87 n LEU 63 Ca 0.00 0.11 0.15 0.00 -0.03 0.00 0.00 56.01 56.24 3d87 n LEU 63 Cb 0.11 -0.09 0.30 0.00 -2.33 0.00 0.00 43.42 41.40 3d87 n LEU 63 CO 0.00 0.61 0.84 0.03 -1.33 0.00 0.00 177.39 177.54 3d87 h ARG 64 N 0.01 0.04 0.00 3.23 2.47 -0.90 -3.33 114.38 115.90 3d87 h ARG 64 Ca -0.47 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3d87 h ARG 64 Cb 2.09 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 30.40 3d87 h ARG 64 CO 0.03 0.03 0.00 -3.47 0.56 0.00 0.00 179.97 177.12 3d87 n ASP 65 N -5.42 0.00 -4.74 7.04 2.03 -1.26 -4.99 116.55 109.22 3d87 n ASP 65 Ca 0.23 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.14 3d87 n ASP 65 Cb 0.76 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.11 3d87 n ASP 65 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3d87 s ASN 66 N -1.00 7.23 0.00 1.67 3.04 -1.18 -4.87 114.94 119.82 3d87 s ASN 66 Ca 0.00 1.47 0.00 0.00 0.04 0.00 0.00 52.86 54.37 3d87 s ASN 66 Cb 0.00 -2.48 0.00 0.00 -1.54 0.00 0.00 41.25 37.23 3d87 s ASN 66 CO 0.00 -0.02 0.00 -1.54 -3.04 0.00 0.00 177.10 172.50 3d87 n SER 67 N 2.95 1.26 -0.02 -4.21 3.41 -1.26 -3.61 113.62 112.14 3d87 n SER 67 Ca -0.01 -0.05 -0.11 0.00 -0.26 0.00 0.00 58.87 58.44 3d87 n SER 67 Cb 0.50 0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.76 3d87 n SER 67 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3d87 h GLN 68 N 0.00 0.17 0.22 4.33 5.75 -1.90 0.27 115.11 123.95 3d87 h GLN 68 Ca 0.00 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 3d87 h GLN 68 Cb 0.00 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.51 3d87 h GLN 68 CO 0.00 0.11 -0.11 0.35 -2.65 0.00 0.00 178.83 176.53 3d87 h PHE 69 N 0.17 -0.27 -0.47 3.99 3.57 -1.84 -0.97 116.94 121.11 3d87 h PHE 69 Ca 0.05 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3d87 h PHE 69 Cb -0.01 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 38.72 3d87 h PHE 69 CO -0.07 -0.11 -0.36 0.00 -2.23 0.00 0.00 178.31 175.53 3d87 h LEU 71 N -0.24 1.15 -1.05 0.00 3.38 -0.31 -0.49 115.31 117.75 3d87 h LEU 71 Ca 0.18 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.15 3d87 h LEU 71 Cb 0.55 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3d87 h LEU 71 CO -0.60 0.83 0.64 -0.61 0.09 0.00 0.00 178.44 178.79 3d87 h GLN 72 N 1.36 1.22 0.04 1.13 4.15 0.06 0.32 115.11 123.39 3d87 h GLN 72 Ca 0.37 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 3d87 h GLN 72 Cb -0.16 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.26 3d87 h GLN 72 CO -0.08 0.81 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.51 3d87 h ARG 73 N 1.25 -0.06 -0.44 1.69 9.65 -0.15 0.27 114.38 126.60 3d87 h ARG 73 Ca 0.38 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.30 3d87 h ARG 73 Cb -0.04 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 3d87 h ARG 73 CO -0.11 -0.04 -0.26 -0.89 2.80 0.00 0.00 179.97 181.48 3d87 n ILE 74 N -2.16 -0.30 -0.35 1.20 5.41 -0.28 0.23 119.36 123.11 3d87 n ILE 74 Ca -0.01 1.37 0.09 0.00 1.00 0.00 0.00 62.75 65.21 3d87 n ILE 74 Cb 0.02 -1.73 0.27 0.00 -0.71 0.00 0.00 39.64 37.49 3d87 n ILE 74 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 3d87 h HIS 75 N 0.00 1.09 -0.48 1.39 2.76 -0.37 0.07 115.15 119.61 3d87 h HIS 75 Ca 0.07 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3d87 h HIS 75 Cb 0.18 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3d87 h HIS 75 CO -0.65 0.35 0.26 0.37 -1.30 0.00 0.00 177.93 176.96 3d87 h GLN 76 N 0.88 0.65 0.22 5.26 4.15 0.52 -1.04 115.11 125.75 3d87 h GLN 76 Ca 0.52 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 3d87 h GLN 76 Cb 0.65 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3d87 h GLN 76 CO -0.32 0.48 -0.11 0.78 -1.93 0.00 0.00 178.83 177.74 3d87 h GLY 77 N 0.74 -0.31 0.02 2.39 0.00 0.30 -1.37 103.07 104.84 3d87 h GLY 77 Ca 0.17 0.12 0.14 0.00 0.00 0.00 0.00 47.33 47.76 3d87 h GLY 77 CO -0.03 -0.11 0.16 1.41 0.00 0.00 0.00 176.54 177.97 3d87 h LEU 78 N -0.62 0.01 -0.69 3.11 3.38 -1.26 1.03 115.31 120.28 3d87 h LEU 78 Ca -0.03 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3d87 h LEU 78 Cb 0.45 0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3d87 h LEU 78 CO 0.05 -0.02 0.42 0.40 0.09 0.00 0.00 178.44 179.38 3d87 h ILE 79 N 0.27 1.06 0.66 1.22 1.08 -1.01 1.71 117.51 122.49 3d87 h ILE 79 Ca 0.38 -0.28 -0.03 0.00 -0.39 0.00 0.00 64.86 64.54 3d87 h ILE 79 Cb 0.61 0.18 0.01 0.00 -3.07 0.00 0.00 36.82 34.55 3d87 h ILE 79 CO -0.47 0.15 -0.32 0.15 -0.69 0.00 0.00 178.15 176.97 3d87 h PHE 80 N 0.81 -0.82 0.28 1.37 3.57 0.16 -0.05 116.94 122.25 3d87 h PHE 80 Ca 0.28 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 3d87 h PHE 80 Cb 0.06 0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3d87 h PHE 80 CO -0.05 -0.47 -0.13 1.88 -2.23 0.00 0.00 178.31 177.30 3d87 h TYR 81 N -1.08 -0.35 -1.13 0.41 0.05 0.93 0.05 116.97 115.84 3d87 h TYR 81 Ca -0.09 -0.01 0.32 0.00 0.05 0.00 0.00 58.73 59.00 3d87 h TYR 81 Cb 0.72 0.12 -0.10 0.00 1.01 0.00 0.00 36.73 38.48 3d87 h TYR 81 CO -0.00 -0.08 0.74 1.05 -1.05 0.00 0.00 178.16 178.82 3d87 h GLU 82 N -0.58 0.26 0.12 4.88 -0.00 0.25 0.53 114.58 120.04 3d87 h GLU 82 Ca -0.04 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.36 59.30 3d87 h GLU 82 Cb 0.42 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 3d87 h GLU 82 CO 0.06 0.17 -0.06 0.87 -0.00 0.00 0.00 179.01 180.06 3d87 h LYS 83 N 0.27 -0.15 -0.91 1.06 1.57 -0.59 -3.18 116.57 114.63 3d87 h LYS 83 Ca 0.65 0.01 0.26 0.00 -1.87 0.00 0.00 60.65 59.70 3d87 h LYS 83 Cb 1.88 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 34.07 3d87 h LYS 83 CO -0.30 0.29 0.21 -0.07 -0.57 0.00 0.00 179.45 179.02 3d87 h LEU 84 N -0.68 -0.08 -2.15 2.94 3.38 0.20 0.85 115.31 119.77 3d87 h LEU 84 Ca -0.02 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3d87 h LEU 84 Cb 0.51 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3d87 h LEU 84 CO 0.03 -0.23 -0.06 -0.07 0.09 0.00 0.00 178.44 178.20 3d87 h LEU 85 N 0.14 0.00 0.39 1.67 4.07 -1.20 -2.44 115.31 117.94 3d87 h LEU 85 Ca 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.53 3d87 h LEU 85 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3d87 h LEU 85 CO -0.73 0.06 -0.19 1.23 -1.08 0.00 0.00 178.44 177.74 3d87 h GLY 86 N 0.76 -0.54 -0.28 0.83 0.00 0.69 -3.41 103.07 101.11 3d87 h GLY 86 Ca -0.00 0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.49 3d87 h GLY 86 CO 0.01 -0.20 -0.06 -1.14 0.00 0.00 0.00 176.54 175.15 3d87 n SER 87 N -4.23 -0.19 0.23 0.19 3.41 -0.92 -4.25 113.62 107.86 3d87 n SER 87 Ca -0.06 0.05 0.11 0.00 -0.26 0.00 0.00 58.87 58.71 3d87 n SER 87 Cb 0.20 -0.06 0.59 0.00 -0.26 0.00 0.00 64.21 64.69 3d87 n SER 87 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3d87 h ASP 88 N 0.02 0.00 -0.79 4.04 2.03 -1.90 -1.20 116.42 118.62 3d87 h ASP 88 Ca -0.02 0.00 0.18 0.00 -0.73 0.00 0.00 57.03 56.45 3d87 h ASP 88 Cb 0.09 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.48 3d87 h ASP 88 CO 0.03 0.00 0.23 0.40 -1.03 0.00 0.00 179.24 178.87 3d87 h ILE 89 N 0.00 0.49 0.00 4.15 2.04 -1.84 8.10 117.51 130.46 3d87 h ILE 89 Ca 0.00 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3d87 h ILE 89 Cb 0.49 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3d87 h ILE 89 CO 0.00 0.05 -1.84 0.49 0.00 0.00 0.00 178.15 176.86 3d87 n PHE 90 N -5.13 0.13 0.01 1.37 3.01 -0.50 -4.30 117.46 112.04 3d87 n PHE 90 Ca 0.16 0.04 -0.18 0.00 1.01 0.00 0.00 57.45 58.49 3d87 n PHE 90 Cb 0.52 -0.55 -0.12 0.00 -0.01 0.00 0.00 39.48 39.32 3d87 n PHE 90 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3d87 h THR 91 N 0.00 1.51 -2.09 4.37 2.02 -0.49 0.20 112.91 118.42 3d87 h THR 91 Ca 0.00 -2.23 -0.21 0.00 0.77 0.00 0.00 66.41 64.74 3d87 h THR 91 Cb 0.98 2.90 0.13 0.00 -1.74 0.00 0.00 68.15 70.42 3d87 h THR 91 CO 0.00 0.63 -0.10 0.61 0.37 0.00 0.00 175.52 177.03 3d87 n GLY 92 N 1.31 -2.37 3.73 2.16 0.00 2.57 -3.88 105.19 108.71 3d87 n GLY 92 Ca -0.11 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 3d87 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d87 s GLU 93 N -3.76 4.66 -0.55 1.61 8.01 -1.26 0.84 118.70 128.25 3d87 s GLU 93 Ca 0.39 1.57 -0.26 0.00 0.01 0.00 0.00 54.97 56.68 3d87 s GLU 93 Cb -0.07 -3.32 0.04 0.00 -4.31 0.00 0.00 34.13 26.46 3d87 s GLU 93 CO 0.33 0.17 1.04 -1.25 0.01 0.00 0.00 175.26 175.55 3d87 s PRO 94 N -0.25 3.42 0.08 0.39 0.04 -1.26 -4.08 135.00 133.34 3d87 s PRO 94 Ca 0.48 -0.03 -0.36 0.00 0.04 0.00 0.00 61.00 61.13 3d87 s PRO 94 Cb -0.26 -4.03 -0.18 0.00 0.04 0.00 0.00 34.50 30.07 3d87 s PRO 94 CO 0.32 -1.54 1.04 -1.13 0.04 0.00 0.00 177.00 175.74 3d87 n SER 95 N 7.81 0.29 -4.76 6.66 3.41 0.25 -4.93 113.62 122.34 3d87 n SER 95 Ca 0.05 1.15 -0.38 0.00 -0.26 0.00 0.00 58.87 59.42 3d87 n SER 95 Cb 0.48 -1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 3d87 n SER 95 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3d87 s LEU 96 N 0.68 4.39 0.41 1.04 1.43 0.69 -5.02 118.68 122.30 3d87 s LEU 96 Ca 0.82 1.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.79 3d87 s LEU 96 Cb -1.09 -2.83 -0.10 0.00 0.03 0.00 0.00 46.19 42.19 3d87 s LEU 96 CO 0.54 0.10 0.90 -0.76 0.23 0.00 0.00 176.35 177.36 3d87 s LEU 97 N -0.07 3.95 0.14 1.79 1.02 -1.26 -4.80 118.68 119.45 3d87 s LEU 97 Ca 0.29 1.57 -0.25 0.00 0.02 0.00 0.00 54.13 55.76 3d87 s LEU 97 Cb -0.17 -4.42 -0.01 0.00 0.02 0.00 0.00 46.19 41.61 3d87 s LEU 97 CO 0.15 -0.33 1.61 -0.65 0.02 0.00 0.00 176.35 177.15 3d87 h PRO 98 N 1.93 -0.35 0.00 1.29 0.11 -1.96 -1.72 132.00 131.30 3d87 h PRO 98 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d87 h PRO 98 Cb 1.18 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3d87 h PRO 98 CO 0.62 -0.23 0.00 0.38 -0.21 0.00 0.00 178.00 178.56 3d87 h ASP 99 N -0.36 0.00 -4.08 -2.05 2.03 -1.94 -3.22 116.42 106.80 3d87 h ASP 99 Ca 0.11 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.85 3d87 h ASP 99 Cb 0.53 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 39.18 3d87 h ASP 99 CO -0.37 0.00 0.55 -1.54 -1.03 0.00 0.00 179.24 176.85 3d87 n SER 100 N -2.48 2.32 -0.46 4.15 3.41 -0.65 -4.68 113.62 115.23 3d87 n SER 100 Ca 0.01 0.88 0.37 0.00 -0.26 0.00 0.00 58.87 59.88 3d87 n SER 100 Cb 0.24 -1.57 0.59 0.00 -0.26 0.00 0.00 64.21 63.22 3d87 n SER 100 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3d87 n PRO 101 N -1.58 -0.02 0.00 4.33 -0.02 -1.26 -1.08 135.00 135.37 3d87 n PRO 101 Ca 0.14 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 3d87 n PRO 101 Cb 0.47 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3d87 n PRO 101 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3d87 n VAL 102 N -3.96 0.00 0.00 -1.45 0.31 -1.26 -2.69 118.33 109.27 3d87 n VAL 102 Ca 0.34 0.89 0.00 0.00 -0.01 0.00 0.00 64.34 65.56 3d87 n VAL 102 Cb 1.41 -1.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 3d87 n VAL 102 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d87 n GLY 103 N 0.32 -0.01 0.08 2.92 0.00 -0.24 0.44 105.19 108.69 3d87 n GLY 103 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3d87 n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3d87 n GLN 104 N -0.89 0.66 0.45 1.61 6.02 -1.07 -3.02 117.38 121.14 3d87 n GLN 104 Ca 0.00 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.85 3d87 n GLN 104 Cb 0.36 -1.63 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 3d87 n GLN 104 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3d87 h LEU 105 N 0.00 -0.97 -1.94 1.08 -0.00 0.93 0.96 115.31 115.37 3d87 h LEU 105 Ca -0.28 0.03 0.56 0.00 -0.00 0.00 0.00 57.88 58.18 3d87 h LEU 105 Cb 1.73 0.25 -0.08 0.00 -0.00 0.00 0.00 40.66 42.56 3d87 h LEU 105 CO 0.03 -0.63 1.36 -0.74 -0.00 0.00 0.00 178.44 178.46 3d87 h HIS 106 N -1.25 0.05 0.00 1.13 2.76 -1.50 0.38 115.15 116.72 3d87 h HIS 106 Ca -0.12 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3d87 h HIS 106 Cb 0.88 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.83 3d87 h HIS 106 CO -0.00 -0.03 0.00 0.00 -1.30 0.00 0.00 177.93 176.60 3d87 n ALA 107 N -2.88 -0.13 -0.32 5.26 0.00 -0.25 -2.60 120.51 119.59 3d87 n ALA 107 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.91 3d87 n ALA 107 Cb 1.96 0.00 0.10 0.00 0.00 0.00 0.00 19.45 21.50 3d87 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3d87 n SER 108 N -1.39 -0.39 0.00 0.00 2.88 0.11 0.18 113.62 115.01 3d87 n SER 108 Ca 0.00 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 3d87 n SER 108 Cb 0.00 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 3d87 n SER 108 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3d87 n LEU 109 N -5.38 0.00 -0.23 2.46 4.77 0.34 0.25 117.00 119.21 3d87 n LEU 109 Ca 0.12 0.96 0.31 0.00 -0.03 0.00 0.00 56.01 57.37 3d87 n LEU 109 Cb 0.41 -0.46 0.73 0.00 -2.33 0.00 0.00 43.42 41.78 3d87 n LEU 109 CO -0.11 -0.46 1.29 0.25 -1.33 0.00 0.00 177.39 177.03 3d87 h LEU 110 N 0.00 0.00 0.18 2.23 6.46 -0.88 1.45 115.31 124.75 3d87 h LEU 110 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3d87 h LEU 110 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 3d87 h LEU 110 CO 0.00 0.00 -0.09 1.23 -0.62 0.00 0.00 178.44 178.96 3d87 h GLY 111 N 0.00 -0.25 0.11 3.75 0.00 0.37 -1.95 103.07 105.09 3d87 h GLY 111 Ca 0.47 0.09 0.15 0.00 0.00 0.00 0.00 47.33 48.04 3d87 h GLY 111 CO -0.00 -0.09 0.28 -2.00 0.00 0.00 0.00 176.54 174.73 3d87 h LEU 112 N -0.36 0.24 -0.64 3.11 5.85 0.60 0.33 115.31 124.43 3d87 h LEU 112 Ca -0.02 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3d87 h LEU 112 Cb 0.18 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 3d87 h LEU 112 CO 0.04 0.08 0.30 0.77 -0.34 0.00 0.00 178.44 179.29 3d87 h SER 113 N 0.41 0.38 0.13 1.25 4.64 0.18 0.11 113.55 120.65 3d87 h SER 113 Ca 0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3d87 h SER 113 Cb 0.65 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3d87 h SER 113 CO -0.42 0.23 0.00 1.56 -0.87 0.00 0.00 176.83 177.33 3d87 h GLN 114 N 0.53 0.00 -0.35 4.77 1.08 0.47 -1.61 115.11 119.99 3d87 h GLN 114 Ca 0.31 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.51 3d87 h GLN 114 Cb 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3d87 h GLN 114 CO -0.26 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 178.90 3d87 n LEU 115 N -2.80 2.56 -0.02 1.46 4.77 0.39 -3.66 117.00 119.70 3d87 n LEU 115 Ca -0.02 -1.16 -0.06 0.00 -0.03 0.00 0.00 56.01 54.74 3d87 n LEU 115 Cb 0.09 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 3d87 n LEU 115 CO 0.18 0.58 -0.54 0.18 -1.33 0.00 0.00 177.39 176.45 3d87 n LEU 116 N 0.90 0.76 -4.08 2.23 4.77 -0.64 -4.65 117.00 116.28 3d87 n LEU 116 Ca 0.17 0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.95 3d87 n LEU 116 Cb 0.44 -0.28 -0.16 0.00 -2.33 0.00 0.00 43.42 41.10 3d87 n LEU 116 CO 0.13 -0.12 -0.51 -1.10 -1.33 0.00 0.00 177.39 174.47 3d87 s GLN 117 N -2.16 2.69 0.00 3.23 -0.21 -1.00 -4.99 119.66 117.23 3d87 s GLN 117 Ca -0.09 -0.84 0.15 0.00 0.02 0.00 0.00 55.36 54.61 3d87 s GLN 117 Cb 0.03 -2.50 0.66 0.00 1.00 0.00 0.00 33.01 32.19 3d87 s GLN 117 CO 0.11 -0.28 1.46 -2.30 -2.12 0.00 0.00 175.29 172.17 3d87 n PRO 118 N 4.63 1.43 0.00 2.91 -0.02 -1.24 -3.94 135.00 138.76 3d87 n PRO 118 Ca -0.19 -0.65 0.00 0.00 -2.02 0.00 0.00 63.50 60.64 3d87 n PRO 118 Cb 0.49 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3d87 n PRO 118 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3d87 n GLU 119 N -0.08 0.00 0.00 -0.52 4.71 -1.26 -5.03 120.64 118.46 3d87 n GLU 119 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3d87 n GLU 119 Cb 0.20 -0.04 0.00 0.00 -1.01 0.00 0.00 31.44 30.59 3d87 n GLU 119 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3d87 n GLY 120 N -0.44 3.09 3.12 0.62 0.00 -1.26 -4.81 105.19 105.49 3d87 n GLY 120 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 46.02 45.76 3d87 n GLY 120 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3d87 s HIS 121 N 0.00 -0.02 0.00 1.61 2.46 -1.26 -5.16 115.29 112.92 3d87 s HIS 121 Ca 0.00 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.54 3d87 s HIS 121 Cb 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 32.58 32.45 3d87 s HIS 121 CO 0.00 -0.01 0.00 -2.39 -2.47 0.00 0.00 174.74 169.87 3d87 n HIS 122 N 4.91 -0.18 0.00 3.88 -0.00 -1.26 -5.22 115.22 117.34 3d87 n HIS 122 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 3d87 n HIS 122 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 3d87 n HIS 122 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3d87 n PRO 129 N -0.06 0.00 0.10 -1.40 -0.02 -1.26 -5.32 135.00 127.03 3d87 n PRO 129 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 3d87 n PRO 129 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 3d87 n PRO 129 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3d87 h SER 130 N 0.00 0.00 -0.74 2.55 4.64 -2.02 -3.50 113.55 114.48 3d87 h SER 130 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d87 h SER 130 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3d87 h SER 130 CO 0.00 0.76 0.00 0.18 -0.87 0.00 0.00 176.83 176.90 3d87 n LEU 131 N -3.29 0.00 0.00 5.97 7.99 -1.26 -5.05 117.00 121.37 3d87 n LEU 131 Ca 0.01 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.10 3d87 n LEU 131 Cb 0.84 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 44.13 3d87 n LEU 131 CO 0.44 -0.06 -0.12 -1.20 -1.51 0.00 0.00 177.39 174.94 3d87 n SER 132 N -0.07 -4.09 -0.01 -1.43 7.64 -1.26 -5.02 113.62 109.37 3d87 n SER 132 Ca 0.00 0.72 -0.01 0.00 1.01 0.00 0.00 58.87 60.59 3d87 n SER 132 Cb 0.00 -2.27 -0.00 0.00 -1.01 0.00 0.00 64.21 60.93 3d87 n SER 132 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d87 n PRO 133 N -2.25 0.08 -0.95 1.43 -0.04 -1.26 -4.69 135.00 127.33 3d87 n PRO 133 Ca 0.00 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 3d87 n PRO 133 Cb 0.30 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 3d87 n PRO 133 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3d87 n SER 134 N -2.73 0.00 -2.94 3.54 2.88 -1.26 -5.12 113.62 107.99 3d87 n SER 134 Ca -0.02 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.51 3d87 n SER 134 Cb 0.06 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.51 3d87 n SER 134 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3d87 n GLN 135 N 0.00 -2.28 0.05 -1.46 0.00 -1.26 -4.34 117.38 108.09 3d87 n GLN 135 Ca 0.00 1.91 0.20 0.00 -0.00 0.00 0.00 57.00 59.11 3d87 n GLN 135 Cb 0.00 -2.15 0.73 0.00 0.00 0.00 0.00 30.24 28.82 3d87 n GLN 135 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3d87 h PRO 136 N 4.72 0.00 -0.98 3.69 0.11 -2.00 0.17 132.00 137.70 3d87 h PRO 136 Ca -0.17 0.00 0.16 0.00 0.11 0.00 0.00 66.00 66.10 3d87 h PRO 136 Cb 0.42 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.37 3d87 h PRO 136 CO 0.00 0.00 -0.35 1.87 -0.21 0.00 0.00 178.00 179.31 3d87 n TRP 137 N -4.09 0.10 0.59 0.65 -0.00 -1.26 -1.28 117.44 112.15 3d87 n TRP 137 Ca 0.08 1.21 0.13 0.00 -0.00 0.00 0.00 57.50 58.92 3d87 n TRP 137 Cb 0.59 -0.91 0.32 0.00 -0.00 0.00 0.00 31.31 31.31 3d87 n TRP 137 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 177.69 177.13 3d87 h GLN 138 N 0.00 0.00 -0.10 5.87 3.07 -0.85 -3.30 115.11 119.81 3d87 h GLN 138 Ca 0.37 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 59.01 3d87 h GLN 138 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.18 3d87 h GLN 138 CO -0.99 0.00 -0.35 0.00 0.09 0.00 0.00 178.83 177.59 3d87 h ARG 139 N 0.00 0.41 -0.14 0.06 3.08 -1.19 -3.08 114.38 113.51 3d87 h ARG 139 Ca 0.00 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.79 3d87 h ARG 139 Cb 0.76 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.81 3d87 h ARG 139 CO 0.00 0.93 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.60 3d87 h LEU 140 N -0.04 -0.53 -0.97 3.04 3.38 -1.58 0.33 115.31 118.94 3d87 h LEU 140 Ca -0.02 0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.26 3d87 h LEU 140 Cb 0.98 0.25 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 3d87 h LEU 140 CO 0.07 -0.22 0.55 0.25 0.09 0.00 0.00 178.44 179.19 3d87 h LEU 141 N -0.21 0.65 -0.16 1.67 5.85 -1.67 0.45 115.31 121.89 3d87 h LEU 141 Ca 0.10 0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.75 3d87 h LEU 141 Cb 0.35 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.40 3d87 h LEU 141 CO -0.26 0.17 -0.63 -0.07 -0.34 0.00 0.00 178.44 177.31 3d87 h LEU 142 N 0.63 0.83 -0.95 2.25 3.38 -1.18 -1.35 115.31 118.93 3d87 h LEU 142 Ca 0.58 -0.61 0.14 0.00 0.09 0.00 0.00 57.88 58.08 3d87 h LEU 142 Cb 0.99 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 3d87 h LEU 142 CO -0.43 1.31 0.56 0.03 0.09 0.00 0.00 178.44 180.00 3d87 h ARG 143 N 0.41 0.79 -0.01 1.13 3.08 0.37 0.40 114.38 120.56 3d87 h ARG 143 Ca -0.03 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 3d87 h ARG 143 Cb 1.26 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3d87 h ARG 143 CO 0.13 0.53 -0.22 0.74 -1.07 0.00 0.00 179.97 180.08 3d87 h PHE 144 N 0.82 0.24 -0.19 3.04 -1.00 -0.78 -0.95 116.94 118.12 3d87 h PHE 144 Ca 0.50 -0.12 0.05 0.00 2.81 0.00 0.00 57.97 61.21 3d87 h PHE 144 Cb 0.64 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.11 3d87 h PHE 144 CO -0.03 0.90 -0.17 0.87 -1.61 0.00 0.00 178.31 178.27 3d87 h LYS 145 N -0.49 -0.17 -0.35 1.51 1.57 -0.55 0.17 116.57 118.25 3d87 h LYS 145 Ca -0.02 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3d87 h LYS 145 Cb 0.95 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 3d87 h LYS 145 CO 0.04 -0.12 0.17 0.82 -0.57 0.00 0.00 179.45 179.79 3d87 h ILE 146 N -0.18 0.97 -0.21 1.86 5.03 -0.28 -0.14 117.51 124.57 3d87 h ILE 146 Ca 0.12 -0.12 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 3d87 h ILE 146 Cb 0.35 0.60 -0.01 0.00 -3.03 0.00 0.00 36.82 34.73 3d87 h ILE 146 CO -0.29 0.06 0.07 -0.07 -0.68 0.00 0.00 178.15 177.24 3d87 h LEU 147 N 0.34 0.29 -0.28 1.44 4.07 -0.01 0.24 115.31 121.40 3d87 h LEU 147 Ca 0.15 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.91 3d87 h LEU 147 Cb 0.07 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3d87 h LEU 147 CO -0.11 0.41 0.16 -0.09 -1.08 0.00 0.00 178.44 177.73 3d87 h ARG 148 N 0.17 0.39 -0.65 1.13 9.65 -0.58 0.10 114.38 124.59 3d87 h ARG 148 Ca 0.07 -0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.03 3d87 h ARG 148 Cb 0.21 -0.08 -0.09 0.00 -1.39 0.00 0.00 29.97 28.62 3d87 h ARG 148 CO -0.00 0.32 0.14 1.03 2.80 0.00 0.00 179.97 184.26 3d87 h SER 149 N 0.35 -0.00 0.48 -3.80 0.87 -0.83 -2.33 113.55 108.30 3d87 h SER 149 Ca 0.10 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3d87 h SER 149 Cb 0.04 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3d87 h SER 149 CO -0.02 -0.01 -0.23 0.25 -0.53 0.00 0.00 176.83 176.30 3d87 h LEU 150 N 0.26 -0.55 -1.48 2.23 5.85 0.32 -2.45 115.31 119.49 3d87 h LEU 150 Ca 0.35 -0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.21 3d87 h LEU 150 Cb 0.54 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3d87 h LEU 150 CO -0.44 -0.25 0.85 1.56 -0.34 0.00 0.00 178.44 179.81 3d87 h GLN 151 N -0.84 0.00 0.03 1.25 4.20 -0.29 0.52 115.11 119.98 3d87 h GLN 151 Ca -0.07 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3d87 h GLN 151 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.37 3d87 h GLN 151 CO 0.11 0.00 -0.38 0.00 -0.67 0.00 0.00 178.83 177.89 3d87 h ALA 152 N 0.97 0.00 0.62 3.87 0.00 -1.15 -3.09 119.26 120.48 3d87 h ALA 152 Ca 0.34 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3d87 h ALA 152 Cb 2.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3d87 h ALA 152 CO -0.00 0.17 -0.35 0.35 0.00 0.00 0.00 179.25 179.42 3d87 h PHE 153 N -0.51 -0.91 -0.32 0.00 3.57 0.43 -2.89 116.94 116.30 3d87 h PHE 153 Ca -0.06 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.52 3d87 h PHE 153 Cb 1.19 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 40.23 3d87 h PHE 153 CO 0.20 -0.53 0.41 -0.39 -2.23 0.00 0.00 178.31 175.77 3d87 h VAL 154 N -0.90 0.31 0.57 1.41 -1.51 -1.43 -1.03 116.25 113.68 3d87 h VAL 154 Ca -0.08 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.36 3d87 h VAL 154 Cb 0.70 0.66 0.01 0.00 -2.13 0.00 0.00 31.29 30.53 3d87 h VAL 154 CO 0.11 0.00 -0.28 0.00 -1.23 0.00 0.00 177.57 176.18 3d87 h ALA 155 N 1.48 -1.12 -0.40 5.19 0.00 -1.42 0.56 119.26 123.55 3d87 h ALA 155 Ca 0.15 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3d87 h ALA 155 Cb 0.97 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3d87 h ALA 155 CO -0.00 -1.06 -0.18 0.28 0.00 0.00 0.00 179.25 178.29 3d87 h VAL 156 N -0.82 0.45 -0.86 0.00 2.07 -1.39 0.26 116.25 115.97 3d87 h VAL 156 Ca -0.08 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.66 3d87 h VAL 156 Cb 0.59 0.45 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 3d87 h VAL 156 CO 0.13 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.86 3d87 h ALA 157 N 1.20 1.12 -0.10 1.67 0.00 -1.02 0.55 119.26 122.67 3d87 h ALA 157 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3d87 h ALA 157 Cb 0.40 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3d87 h ALA 157 CO -0.46 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.32 3d87 n ALA 158 N -2.83 -0.47 -0.33 0.00 0.00 0.19 -1.71 120.51 115.37 3d87 n ALA 158 Ca 0.19 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.87 3d87 n ALA 158 Cb 0.64 0.02 0.46 0.00 0.00 0.00 0.00 19.45 20.57 3d87 n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d87 h ARG 159 N 0.00 0.23 0.11 0.00 3.08 -0.56 0.88 114.38 118.12 3d87 h ARG 159 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.06 3d87 h ARG 159 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 3d87 h ARG 159 CO 0.00 0.15 -0.30 0.28 -1.07 0.00 0.00 179.97 179.03 3d87 h VAL 160 N 0.23 0.35 0.00 2.04 2.07 0.29 -0.01 116.25 121.23 3d87 h VAL 160 Ca 0.72 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 68.19 3d87 h VAL 160 Cb 1.68 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 3d87 h VAL 160 CO -0.66 0.00 -0.25 -0.26 0.02 0.00 0.00 177.57 176.42 3d87 h PHE 161 N -0.51 0.00 0.43 1.57 0.04 0.14 -2.63 116.94 115.97 3d87 h PHE 161 Ca 0.03 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3d87 h PHE 161 Cb 0.55 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.70 3d87 h PHE 161 CO -0.27 0.25 -0.21 0.00 -0.60 0.00 0.00 178.31 177.48 3d87 h ALA 162 N 1.75 -0.57 0.07 2.45 0.00 0.96 -1.89 119.26 122.02 3d87 h ALA 162 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3d87 h ALA 162 Cb 0.67 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 3d87 h ALA 162 CO 0.03 -0.73 -0.51 1.25 0.00 0.00 0.00 179.25 179.29 3d87 h HIS 163 N -0.76 -1.49 -0.98 0.00 6.17 -0.87 -0.56 115.15 116.67 3d87 h HIS 163 Ca -0.06 0.04 0.25 0.00 0.71 0.00 0.00 60.37 61.32 3d87 h HIS 163 Cb 0.53 0.64 -0.13 0.00 2.52 0.00 0.00 27.41 30.97 3d87 h HIS 163 CO -0.01 -0.56 0.55 0.78 0.71 0.00 0.00 177.93 179.39 3d87 h GLY 164 N -0.69 1.86 0.88 5.26 0.00 -1.51 1.45 103.07 110.32 3d87 h GLY 164 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3d87 h GLY 164 CO -0.31 -0.29 -0.08 0.00 0.00 0.00 0.00 176.54 175.87 3d87 h ALA 165 N 1.75 -0.21 -0.35 3.60 0.00 -0.33 -1.13 119.26 122.59 3d87 h ALA 165 Ca 0.64 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.40 3d87 h ALA 165 Cb 1.26 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3d87 h ALA 165 CO -0.51 -0.56 0.02 0.00 0.00 0.00 0.00 179.25 178.20 3d87 h ALA 166 N 0.49 0.47 0.00 0.00 0.00 0.96 -3.37 119.26 117.82 3d87 h ALA 166 Ca -0.02 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3d87 h ALA 166 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3d87 h ALA 166 CO 0.04 0.21 -1.73 0.25 0.00 0.00 0.00 179.25 178.02 3d87 n THR 167 N -4.53 0.73 0.01 0.00 -2.24 0.46 -4.79 114.28 103.92 3d87 n THR 167 Ca -0.02 -0.44 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 3d87 n THR 167 Cb 0.26 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.62 3d87 n THR 167 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3d87 h LEU 168 N 0.00 0.38 -9.70 3.22 3.38 -1.34 -3.47 115.31 107.79 3d87 h LEU 168 Ca -0.29 -0.85 -0.56 0.00 0.09 0.00 0.00 57.88 56.27 3d87 h LEU 168 Cb 1.65 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.20 3d87 h LEU 168 CO 0.01 1.67 -0.59 -0.94 0.09 0.00 0.00 178.44 178.68 3d87 s SER 169 N -7.05 5.13 0.00 -0.43 1.04 -0.85 -5.07 113.70 106.47 3d87 s SER 169 Ca -0.21 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3d87 s SER 169 Cb 0.05 -1.20 0.00 0.00 0.10 0.00 0.00 66.02 64.97 3d87 s SER 169 CO 0.76 0.03 0.45 -0.81 0.98 0.00 0.00 173.24 174.65