#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q39 n GLU 5 N 0.00 0.00 0.12 -0.52 0.00 -1.26 -4.92 120.64 114.06 1q39 n GLU 5 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 57.16 57.26 1q39 n GLU 5 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 31.44 31.89 1q39 n GLU 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1q39 n ILE 6 N 0.00 1.08 -1.60 3.84 -0.00 -1.26 -3.68 119.36 117.74 1q39 n ILE 6 Ca 0.00 0.48 -0.41 0.00 -0.00 0.00 0.00 62.75 62.82 1q39 n ILE 6 Cb 0.46 -1.43 -0.01 0.00 -0.00 0.00 0.00 39.64 38.65 1q39 n ILE 6 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1q39 n ARG 7 N -2.08 2.83 0.00 0.38 3.00 -1.26 -3.90 116.66 115.62 1q39 n ARG 7 Ca 0.00 -2.46 0.00 0.00 -0.00 0.00 0.00 57.85 55.40 1q39 n ARG 7 Cb 0.11 -3.18 0.00 0.00 0.00 0.00 0.00 32.46 29.40 1q39 n ARG 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1q39 n ARG 8 N 5.82 2.27 -0.06 -0.14 3.00 -1.24 -4.69 116.66 121.62 1q39 n ARG 8 Ca 0.55 0.00 -0.00 0.00 -0.01 0.00 0.00 57.85 58.39 1q39 n ARG 8 Cb 0.37 -0.78 0.28 0.00 0.00 0.00 0.00 32.46 32.32 1q39 n ARG 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q39 h ALA 9 N 0.00 1.37 -0.37 7.54 0.00 -1.91 -2.20 119.26 123.70 1q39 h ALA 9 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1q39 h ALA 9 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1q39 h ALA 9 CO 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 179.25 179.49 1q39 h ALA 10 N 1.49 0.94 -0.50 0.00 0.00 -1.87 -2.87 119.26 116.44 1q39 h ALA 10 Ca 0.15 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1q39 h ALA 10 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q39 h ALA 10 CO -0.01 0.61 -0.13 -0.44 0.00 0.00 0.00 179.25 179.28 1q39 h ASP 11 N 0.63 0.96 -0.79 0.00 5.19 -1.71 -1.22 116.42 119.48 1q39 h ASP 11 Ca 0.09 -0.32 0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1q39 h ASP 11 Cb 0.70 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 1q39 h ASP 11 CO 0.05 1.09 0.51 0.78 -3.12 0.00 0.00 179.24 178.55 1q39 h ASN 12 N 0.85 0.84 -0.19 6.45 2.35 -1.20 0.57 115.58 125.26 1q39 h ASN 12 Ca 0.13 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 1q39 h ASN 12 Cb 0.68 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1q39 h ASN 12 CO 0.05 0.59 -0.34 -0.07 -1.65 0.00 0.00 177.43 176.01 1q39 h LEU 13 N 1.00 0.63 -0.25 1.61 3.38 -1.32 -2.38 115.31 117.96 1q39 h LEU 13 Ca 0.31 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1q39 h LEU 13 Cb -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1q39 h LEU 13 CO -0.10 1.05 0.10 -0.33 0.09 0.00 0.00 178.44 179.25 1q39 h GLU 14 N 0.23 0.37 0.00 1.13 5.08 -0.91 -0.82 114.58 119.66 1q39 h GLU 14 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1q39 h GLU 14 Cb 0.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 1q39 h GLU 14 CO 0.08 0.41 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1q39 n ALA 15 N -2.25 1.12 -0.13 3.43 0.00 0.20 -1.26 120.51 121.61 1q39 n ALA 15 Ca -0.03 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.27 1q39 n ALA 15 Cb 0.12 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 1q39 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q39 n ALA 16 N -1.70 1.34 -0.04 0.00 0.00 -0.71 -4.84 120.51 114.55 1q39 n ALA 16 Ca -0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1q39 n ALA 16 Cb 0.05 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1q39 n ALA 16 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q39 n ILE 17 N -4.15 0.00 -1.74 0.00 -5.35 -0.40 -4.69 119.36 103.03 1q39 n ILE 17 Ca -0.50 -0.48 -0.42 0.00 -0.27 0.00 0.00 62.75 61.09 1q39 n ILE 17 Cb 0.85 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.77 1q39 n ILE 17 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1q39 s LYS 18 N -0.02 4.12 0.00 6.28 2.20 -0.39 -2.52 119.74 129.42 1q39 s LYS 18 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 1q39 s LYS 18 Cb 0.00 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1q39 s LYS 18 CO 0.00 -0.71 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1q39 n GLY 19 N 3.24 2.73 3.73 5.54 0.00 -0.34 -4.94 105.19 115.14 1q39 n GLY 19 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1q39 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q39 s LYS 20 N -0.05 4.58 0.18 1.61 1.02 -1.05 -4.86 119.74 121.17 1q39 s LYS 20 Ca 0.00 1.64 -0.31 0.00 0.02 0.00 0.00 55.97 57.31 1q39 s LYS 20 Cb 0.00 -3.33 -0.10 0.00 -0.52 0.00 0.00 37.83 33.88 1q39 s LYS 20 CO 0.00 0.03 1.52 -1.25 -0.92 0.00 0.00 175.35 174.73 1q39 s PRO 21 N 0.15 4.24 -0.12 -1.68 0.04 -1.26 -4.32 135.00 132.04 1q39 s PRO 21 Ca 0.51 2.32 -0.29 0.00 0.04 0.00 0.00 61.00 63.58 1q39 s PRO 21 Cb -0.27 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1q39 s PRO 21 CO 0.32 -0.55 1.41 -0.51 0.04 0.00 0.00 177.00 177.72 1q39 s LEU 22 N 0.77 4.24 0.14 -3.56 1.43 0.31 -4.49 118.68 117.52 1q39 s LEU 22 Ca 0.67 1.91 0.23 0.00 -1.03 0.00 0.00 54.13 55.90 1q39 s LEU 22 Cb -0.43 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.22 1q39 s LEU 22 CO 0.34 -0.82 0.95 0.35 0.23 0.00 0.00 176.35 177.40 1q39 n THR 23 N 5.40 0.44 -3.65 5.49 -2.24 0.44 -1.58 114.28 118.58 1q39 n THR 23 Ca 0.15 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 1q39 n THR 23 Cb 0.44 -0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 1q39 n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1q39 s ASP 24 N -4.98 -0.77 -0.04 3.42 2.15 -1.03 -4.97 116.67 110.44 1q39 s ASP 24 Ca -0.01 1.37 0.01 0.00 0.43 0.00 0.00 52.55 54.34 1q39 s ASP 24 Cb 0.11 1.31 0.02 0.00 -0.30 0.00 0.00 42.92 44.07 1q39 s ASP 24 CO 0.81 -0.23 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.86 1q39 s VAL 25 N 0.94 0.41 -0.00 1.11 1.01 -1.26 -0.08 120.40 122.53 1q39 s VAL 25 Ca -0.05 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1q39 s VAL 25 Cb -0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.86 1q39 s VAL 25 CO -0.08 0.20 -0.02 0.86 0.00 0.00 0.00 175.10 176.06 1q39 s TRP 26 N 1.04 0.16 -0.00 5.22 -0.00 0.34 -4.79 118.94 120.90 1q39 s TRP 26 Ca -0.09 -0.03 0.04 0.00 -0.00 0.00 0.00 56.10 56.02 1q39 s TRP 26 Cb -0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 33.47 33.21 1q39 s TRP 26 CO -0.01 -0.01 -0.13 -0.06 -0.00 0.00 0.00 176.95 176.74 1q39 s PHE 27 N -0.00 1.19 0.03 5.86 0.08 -1.26 -1.17 117.98 122.70 1q39 s PHE 27 Ca 0.00 -0.24 -0.16 0.00 0.12 0.00 0.00 56.93 56.65 1q39 s PHE 27 Cb -0.01 -0.76 -0.34 0.00 -0.57 0.00 0.00 43.02 41.34 1q39 s PHE 27 CO -0.00 -0.01 1.03 0.00 -0.10 0.00 0.00 175.22 176.13 1q39 h ALA 28 N 5.71 -0.12 -2.32 5.36 0.00 -1.26 -3.44 119.26 123.20 1q39 h ALA 28 Ca -0.34 -0.82 -0.55 0.00 0.00 0.00 0.00 54.91 53.20 1q39 h ALA 28 Cb 1.17 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1q39 h ALA 28 CO 0.48 0.67 0.88 -0.06 0.00 0.00 0.00 179.25 181.22 1q39 s PHE 29 N -2.71 2.73 0.28 0.00 0.08 -1.26 -4.91 117.98 112.18 1q39 s PHE 29 Ca -0.09 0.77 0.01 0.00 0.12 0.00 0.00 56.93 57.74 1q39 s PHE 29 Cb 0.04 -3.67 0.57 0.00 -0.57 0.00 0.00 43.02 39.40 1q39 s PHE 29 CO 0.94 -2.50 1.81 -1.00 -0.10 0.00 0.00 175.22 174.37 1q39 h PRO 30 N 8.15 0.84 -0.13 0.24 0.13 -2.01 -0.71 132.00 138.50 1q39 h PRO 30 Ca -0.36 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.76 1q39 h PRO 30 Cb 1.17 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1q39 h PRO 30 CO 0.92 0.56 0.15 -0.56 -0.23 0.00 0.00 178.00 178.84 1q39 h GLN 31 N 0.87 0.00 0.00 0.86 -0.00 -1.98 -2.37 115.11 112.48 1q39 h GLN 31 Ca 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.11 1q39 h GLN 31 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.07 1q39 h GLN 31 CO -0.30 0.00 -1.33 1.28 -0.00 0.00 0.00 178.83 178.48 1q39 n LEU 32 N -3.79 0.65 -0.42 0.06 4.77 -0.29 -4.33 117.00 113.65 1q39 n LEU 32 Ca 0.00 0.26 0.39 0.00 -0.03 0.00 0.00 56.01 56.64 1q39 n LEU 32 Cb 0.26 -0.01 0.77 0.00 -2.33 0.00 0.00 43.42 42.11 1q39 n LEU 32 CO 0.27 -0.07 1.36 0.11 -1.33 0.00 0.00 177.39 177.74 1q39 h LYS 33 N 0.00 0.01 0.00 3.23 1.79 -1.26 0.11 116.57 120.45 1q39 h LYS 33 Ca -0.05 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1q39 h LYS 33 Cb 1.14 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1q39 h LYS 33 CO 0.01 0.00 0.00 -2.37 -1.08 0.00 0.00 179.45 176.01 1q39 n THR 34 N -4.13 1.50 0.79 -0.16 5.66 -1.26 -2.29 114.28 114.38 1q39 n THR 34 Ca 0.30 0.38 0.08 0.00 -3.05 0.00 0.00 64.05 61.76 1q39 n THR 34 Cb 1.43 -1.26 -0.09 0.00 -1.55 0.00 0.00 70.33 68.86 1q39 n THR 34 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1q39 n TYR 35 N -1.52 0.00 0.17 1.09 4.01 0.38 -4.63 117.16 116.66 1q39 n TYR 35 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 1q39 n TYR 35 Cb 0.08 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 1q39 n TYR 35 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1q39 h GLN 36 N 0.14 -0.50 -0.06 -0.72 4.20 -1.58 -2.84 115.11 113.75 1q39 h GLN 36 Ca 0.00 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 1q39 h GLN 36 Cb 0.41 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1q39 h GLN 36 CO 0.00 -0.34 0.02 0.66 -0.67 0.00 0.00 178.83 178.51 1q39 h SER 37 N -0.52 0.07 0.22 1.46 4.64 -1.84 -2.06 113.55 115.52 1q39 h SER 37 Ca -0.04 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 1q39 h SER 37 Cb 0.44 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1q39 h SER 37 CO 0.00 0.07 -0.14 -0.61 -0.87 0.00 0.00 176.83 175.28 1q39 h GLN 38 N 0.08 0.00 0.00 4.77 4.15 -1.79 -3.00 115.11 119.32 1q39 h GLN 38 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1q39 h GLN 38 Cb 0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.71 1q39 h GLN 38 CO -0.00 0.14 -0.84 -0.07 -1.93 0.00 0.00 178.83 176.13 1q39 h LEU 39 N 0.00 0.00 -9.54 -2.39 3.38 -1.13 -3.45 115.31 102.18 1q39 h LEU 39 Ca -0.00 -0.03 -0.54 0.00 0.09 0.00 0.00 57.88 57.41 1q39 h LEU 39 Cb 0.29 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.08 1q39 h LEU 39 CO 0.02 0.01 1.04 -0.38 0.09 0.00 0.00 178.44 179.22 1q39 n ILE 40 N -2.67 0.22 0.00 1.22 -0.00 -1.14 -0.09 119.36 116.91 1q39 n ILE 40 Ca 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 1q39 n ILE 40 Cb 0.53 -2.00 0.00 0.00 -0.00 0.00 0.00 39.64 38.18 1q39 n ILE 40 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1q39 n GLY 41 N 4.06 2.29 3.89 7.39 0.00 -0.61 -4.99 105.19 117.22 1q39 n GLY 41 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1q39 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q39 s GLN 42 N -0.01 2.06 0.12 1.61 -1.52 0.87 -4.53 119.66 118.26 1q39 s GLN 42 Ca 0.00 0.18 -0.01 0.00 -1.95 0.00 0.00 55.36 53.58 1q39 s GLN 42 Cb 0.00 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 1q39 s GLN 42 CO 0.00 -1.54 0.04 -3.38 -0.25 0.00 0.00 175.29 170.15 1q39 s HIS 43 N -3.53 0.86 -0.27 0.91 -3.43 -1.26 0.12 115.29 108.68 1q39 s HIS 43 Ca 0.61 -1.19 -0.27 0.00 -0.80 0.00 0.00 55.06 53.42 1q39 s HIS 43 Cb -0.11 -0.50 0.01 0.00 -1.43 0.00 0.00 32.58 30.55 1q39 s HIS 43 CO 0.50 -0.46 0.95 0.08 -2.00 0.00 0.00 174.74 173.80 1q39 s VAL 44 N -3.98 4.69 0.05 -5.38 1.01 -1.26 -0.72 120.40 114.81 1q39 s VAL 44 Ca 0.22 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.67 1q39 s VAL 44 Cb 0.07 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.05 1q39 s VAL 44 CO 0.00 -0.26 1.31 0.71 0.00 0.00 0.00 175.10 176.87 1q39 h THR 45 N 5.56 1.35 -1.92 3.92 1.35 -1.45 -0.90 112.91 120.81 1q39 h THR 45 Ca -0.21 -1.54 0.29 0.00 -0.55 0.00 0.00 66.41 64.39 1q39 h THR 45 Cb 1.08 1.95 -0.09 0.00 -1.73 0.00 0.00 68.15 69.36 1q39 h THR 45 CO 0.95 0.47 0.78 -1.38 -0.25 0.00 0.00 175.52 176.08 1q39 s HIS 46 N -4.06 -0.01 -0.28 4.73 -3.43 -1.24 -4.71 115.29 106.29 1q39 s HIS 46 Ca -0.13 -0.16 0.01 0.00 -0.80 0.00 0.00 55.06 53.97 1q39 s HIS 46 Cb 0.06 0.58 0.08 0.00 -1.43 0.00 0.00 32.58 31.87 1q39 s HIS 46 CO 0.80 -0.43 0.00 0.08 -2.00 0.00 0.00 174.74 173.19 1q39 s VAL 47 N -2.34 1.55 0.29 -5.38 1.01 -1.26 -1.20 120.40 113.07 1q39 s VAL 47 Ca 0.20 -1.52 -0.23 0.00 0.00 0.00 0.00 61.98 60.44 1q39 s VAL 47 Cb 0.01 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.33 1q39 s VAL 47 CO -0.01 -0.35 0.85 -0.70 0.00 0.00 0.00 175.10 174.89 1q39 s GLU 48 N 1.33 4.40 0.02 2.72 2.12 0.36 -4.87 118.70 124.78 1q39 s GLU 48 Ca 0.02 1.10 0.00 0.00 0.36 0.00 0.00 54.97 56.45 1q39 s GLU 48 Cb -0.19 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1q39 s GLU 48 CO -0.11 0.30 0.10 0.95 -0.54 0.00 0.00 175.26 175.95 1q39 s THR 49 N -1.64 4.76 -0.38 -1.70 -4.23 -1.26 -0.50 115.64 110.69 1q39 s THR 49 Ca 0.48 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.53 1q39 s THR 49 Cb -0.17 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.61 1q39 s THR 49 CO 0.21 0.27 0.40 -0.13 -0.54 0.00 0.00 174.62 174.84 1q39 s ARG 50 N -1.99 0.69 6.17 3.99 1.81 -0.87 -4.43 118.95 124.32 1q39 s ARG 50 Ca 0.26 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1q39 s ARG 50 Cb -0.12 -0.69 0.00 0.00 -0.45 0.00 0.00 34.95 33.69 1q39 s ARG 50 CO 0.18 -1.21 0.00 0.41 -0.68 0.00 0.00 175.30 173.99 1q39 n GLY 51 N 4.12 1.78 1.80 -3.53 0.00 -1.26 -1.57 105.19 106.52 1q39 n GLY 51 Ca 0.13 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 1q39 n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q39 n LYS 52 N 12.96 3.46 -3.85 1.61 5.02 -1.26 -4.93 118.16 131.17 1q39 n LYS 52 Ca 0.00 -2.59 -0.22 0.00 -2.02 0.00 0.00 58.31 53.48 1q39 n LYS 52 Cb 0.00 -2.09 -0.04 0.00 -0.02 0.00 0.00 35.03 32.88 1q39 n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1q39 s ALA 53 N -2.57 3.79 -0.08 7.82 0.00 -0.61 -4.33 121.76 125.78 1q39 s ALA 53 Ca 0.46 -1.75 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1q39 s ALA 53 Cb 0.37 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.48 1q39 s ALA 53 CO 0.12 -0.03 -0.14 -0.51 0.00 0.00 0.00 175.76 175.20 1q39 s LEU 54 N -3.98 1.70 -0.40 0.00 1.43 -0.51 -2.04 118.68 114.88 1q39 s LEU 54 Ca 0.41 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1q39 s LEU 54 Cb -0.04 -0.95 0.10 0.00 0.03 0.00 0.00 46.19 45.32 1q39 s LEU 54 CO 0.26 0.04 0.21 -0.76 0.23 0.00 0.00 176.35 176.33 1q39 s LEU 55 N 0.70 5.11 -0.48 1.79 1.43 0.35 -1.80 118.68 125.78 1q39 s LEU 55 Ca -0.13 -1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 50.99 1q39 s LEU 55 Cb -0.16 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.22 1q39 s LEU 55 CO 0.03 -0.52 0.66 -0.89 0.23 0.00 0.00 176.35 175.86 1q39 s THR 56 N 1.26 4.81 0.15 5.49 2.01 -0.22 -0.49 115.64 128.65 1q39 s THR 56 Ca 0.05 -0.16 -0.22 0.00 0.31 0.00 0.00 61.69 61.67 1q39 s THR 56 Cb -0.23 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 67.93 1q39 s THR 56 CO -0.02 -0.74 0.70 -1.00 -0.69 0.00 0.00 174.62 172.87 1q39 s HIS 57 N 2.84 3.82 0.26 4.92 3.76 -0.34 -0.61 115.29 129.94 1q39 s HIS 57 Ca 0.20 1.47 0.10 0.00 -0.15 0.00 0.00 55.06 56.68 1q39 s HIS 57 Cb -0.16 -2.65 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 1q39 s HIS 57 CO 0.16 0.50 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.42 1q39 s PHE 58 N -1.22 2.58 -1.38 1.40 0.08 -0.30 -1.23 117.98 117.90 1q39 s PHE 58 Ca 0.35 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.17 1q39 s PHE 58 Cb -0.21 -1.14 0.11 0.00 -0.57 0.00 0.00 43.02 41.21 1q39 s PHE 58 CO 0.23 0.64 0.89 -1.13 -0.10 0.00 0.00 175.22 175.76 1q39 n SER 59 N -0.76 0.00 -1.09 1.36 3.41 0.10 -1.95 113.62 114.69 1q39 n SER 59 Ca -0.06 0.28 0.08 0.00 -0.26 0.00 0.00 58.87 58.91 1q39 n SER 59 Cb 0.59 -0.31 0.26 0.00 -0.26 0.00 0.00 64.21 64.49 1q39 n SER 59 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1q39 n ASN 60 N -1.31 3.76 0.00 4.04 6.94 -1.26 -4.94 115.26 122.50 1q39 n ASN 60 Ca 0.01 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 1q39 n ASN 60 Cb 0.02 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.02 1q39 n ASN 60 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1q39 n ASP 61 N 0.84 -0.50 -4.88 0.53 5.75 -0.82 -5.04 116.55 112.42 1q39 n ASP 61 Ca 0.20 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.68 1q39 n ASP 61 Cb 0.65 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1q39 n ASP 61 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1q39 s LEU 62 N 0.00 3.51 -0.09 -2.12 1.43 -1.26 -4.19 118.68 115.97 1q39 s LEU 62 Ca 0.00 1.20 -0.04 0.00 -1.03 0.00 0.00 54.13 54.27 1q39 s LEU 62 Cb 0.00 -4.18 0.05 0.00 0.03 0.00 0.00 46.19 42.09 1q39 s LEU 62 CO 0.00 -0.66 0.17 -0.89 0.23 0.00 0.00 176.35 175.20 1q39 s THR 63 N -2.84 -0.27 -0.34 5.49 2.01 -0.76 -1.15 115.64 117.78 1q39 s THR 63 Ca 0.52 0.33 -0.22 0.00 0.31 0.00 0.00 61.69 62.63 1q39 s THR 63 Cb -0.11 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1q39 s THR 63 CO 0.45 0.13 0.73 -0.22 -0.69 0.00 0.00 174.62 175.02 1q39 s LEU 64 N 2.30 4.15 0.01 4.42 2.96 0.21 -0.32 118.68 132.43 1q39 s LEU 64 Ca 0.03 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 1q39 s LEU 64 Cb -0.12 -2.95 -0.06 0.00 0.50 0.00 0.00 46.19 43.55 1q39 s LEU 64 CO -0.06 -0.64 0.49 -0.47 -1.32 0.00 0.00 176.35 174.34 1q39 s TYR 65 N 2.92 3.73 -0.23 5.38 5.04 0.11 -1.06 117.35 133.24 1q39 s TYR 65 Ca 0.29 1.10 -0.11 0.00 -2.44 0.00 0.00 57.07 55.91 1q39 s TYR 65 Cb -0.14 -2.41 0.08 0.00 0.35 0.00 0.00 41.96 39.84 1q39 s TYR 65 CO 0.15 0.56 0.54 -1.54 -1.34 0.00 0.00 175.55 173.91 1q39 s SER 66 N -0.85 -0.71 -0.24 4.32 1.04 -0.74 -1.32 113.70 115.19 1q39 s SER 66 Ca 0.26 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1q39 s SER 66 Cb -0.18 1.35 0.04 0.00 0.10 0.00 0.00 66.02 67.33 1q39 s SER 66 CO 0.15 -0.22 -0.10 -2.28 0.98 0.00 0.00 173.24 171.78 1q39 s HIS 67 N 2.00 3.08 0.43 5.02 2.46 0.32 -1.42 115.29 127.18 1q39 s HIS 67 Ca -0.07 -1.81 0.30 0.00 0.47 0.00 0.00 55.06 53.95 1q39 s HIS 67 Cb -0.09 -2.00 1.57 0.00 -0.13 0.00 0.00 32.58 31.93 1q39 s HIS 67 CO -0.16 -0.79 2.11 -0.91 -2.47 0.00 0.00 174.74 172.52 1q39 h ASN 68 N 7.93 0.00 0.00 9.88 -0.26 -1.86 -3.35 115.58 127.92 1q39 h ASN 68 Ca -0.31 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.43 1q39 h ASN 68 Cb 1.09 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.35 1q39 h ASN 68 CO 0.55 0.09 0.00 0.00 -1.06 0.00 0.00 177.43 177.01 1q39 n GLN 69 N -3.58 0.00 0.03 0.81 1.13 -1.26 -0.49 117.38 114.03 1q39 n GLN 69 Ca -0.02 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1q39 n GLN 69 Cb 0.21 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.42 1q39 n GLN 69 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1q39 h LEU 70 N 0.00 0.44 0.00 1.08 3.38 -1.98 -3.43 115.31 114.80 1q39 h LEU 70 Ca 0.00 -0.83 -0.03 0.00 0.09 0.00 0.00 57.88 57.10 1q39 h LEU 70 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1q39 h LEU 70 CO 0.00 1.73 -1.26 -1.22 0.09 0.00 0.00 178.44 177.78 1q39 n TYR 71 N -3.48 0.00 -1.41 1.13 4.01 -1.07 -5.06 117.16 111.28 1q39 n TYR 71 Ca -0.27 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.02 1q39 n TYR 71 Cb 1.06 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.92 1q39 n TYR 71 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1q39 n GLY 72 N 2.42 -1.77 3.59 2.72 0.00 0.36 -4.78 105.19 107.74 1q39 n GLY 72 Ca -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1q39 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q39 s VAL 73 N -1.26 -0.76 0.53 1.61 0.11 -0.71 -4.85 120.40 115.07 1q39 s VAL 73 Ca 0.62 0.02 -0.10 0.00 -2.93 0.00 0.00 61.98 59.59 1q39 s VAL 73 Cb -0.77 -0.95 -0.05 0.00 -1.53 0.00 0.00 36.38 33.08 1q39 s VAL 73 CO 0.59 0.01 0.92 0.26 -3.33 0.00 0.00 175.10 173.54 1q39 s TRP 74 N 2.61 3.56 -0.15 1.54 0.52 -1.26 -1.92 118.94 123.84 1q39 s TRP 74 Ca -0.06 1.14 -0.08 0.00 0.02 0.00 0.00 56.10 57.12 1q39 s TRP 74 Cb -0.11 -2.57 0.06 0.00 -1.15 0.00 0.00 33.47 29.70 1q39 s TRP 74 CO -0.18 -0.44 0.37 1.03 0.02 0.00 0.00 176.95 177.74 1q39 s ARG 75 N -4.70 0.34 -0.16 4.98 1.81 0.17 -4.95 118.95 116.44 1q39 s ARG 75 Ca 0.53 0.74 -0.11 0.00 -1.72 0.00 0.00 55.73 55.17 1q39 s ARG 75 Cb -0.11 -0.03 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 1q39 s ARG 75 CO 0.45 -0.17 0.19 0.08 -0.68 0.00 0.00 175.30 175.16 1q39 s VAL 76 N 1.47 5.39 0.00 3.52 1.01 -1.26 -0.33 120.40 130.20 1q39 s VAL 76 Ca -0.09 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.21 1q39 s VAL 76 Cb -0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1q39 s VAL 76 CO -0.12 0.47 0.00 1.33 0.00 0.00 0.00 175.10 176.79 1q39 n VAL 77 N 3.12 0.00 -4.42 2.92 0.24 0.03 -5.01 118.33 115.21 1q39 n VAL 77 Ca -0.16 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.82 1q39 n VAL 77 Cb 0.53 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.80 1q39 n VAL 77 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1q39 s ASP 78 N -0.26 4.82 -0.74 -1.34 1.01 -1.26 -2.58 116.67 116.31 1q39 s ASP 78 Ca 0.00 -0.07 -0.24 0.00 0.71 0.00 0.00 52.55 52.95 1q39 s ASP 78 Cb 0.00 -1.20 -0.16 0.00 1.01 0.00 0.00 42.92 42.58 1q39 s ASP 78 CO 0.00 0.30 2.42 0.41 0.21 0.00 0.00 175.17 178.51 1q39 n THR 79 N 1.63 -0.03 0.00 -1.27 -1.04 0.61 0.15 114.28 114.33 1q39 n THR 79 Ca -0.16 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.31 1q39 n THR 79 Cb 0.53 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.25 1q39 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q39 n GLY 80 N 6.30 3.16 3.71 3.41 0.00 -1.26 -4.99 105.19 115.53 1q39 n GLY 80 Ca 0.49 -0.48 -0.59 0.00 0.00 0.00 0.00 46.02 45.44 1q39 n GLY 80 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q39 n GLU 81 N 0.00 0.97 -2.00 1.61 0.28 0.12 -5.22 120.64 116.40 1q39 n GLU 81 Ca 0.00 0.35 -0.08 0.00 -0.16 0.00 0.00 57.16 57.27 1q39 n GLU 81 Cb 0.00 -2.01 0.01 0.00 1.43 0.00 0.00 31.44 30.88 1q39 n GLU 81 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1q39 n GLU 82 N 5.01 1.01 0.00 3.44 0.28 -1.26 -4.60 120.64 124.52 1q39 n GLU 82 Ca 0.27 -1.18 0.00 0.00 -0.16 0.00 0.00 57.16 56.09 1q39 n GLU 82 Cb 0.10 0.01 0.00 0.00 1.43 0.00 0.00 31.44 32.98 1q39 n GLU 82 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1q39 n THR 85 N -1.24 0.00 0.00 3.84 -1.04 -1.26 -5.11 114.28 109.47 1q39 n THR 85 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1q39 n THR 85 Cb 0.22 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1q39 n THR 85 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1q39 n THR 86 N 0.00 0.00 -2.48 12.58 -2.24 -1.26 -4.89 114.28 115.99 1q39 n THR 86 Ca 0.00 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 1q39 n THR 86 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1q39 n THR 86 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1q39 s ARG 87 N 0.00 3.81 -0.22 -0.78 0.52 -1.26 -5.03 118.95 115.98 1q39 s ARG 87 Ca 0.00 0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 55.80 1q39 s ARG 87 Cb 0.00 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.20 1q39 s ARG 87 CO 0.00 -0.23 0.25 0.54 0.02 0.00 0.00 175.30 175.87 1q39 s VAL 88 N -2.63 5.30 0.43 3.52 0.11 -1.26 -4.93 120.40 120.94 1q39 s VAL 88 Ca 0.55 0.37 -0.25 0.00 -2.93 0.00 0.00 61.98 59.72 1q39 s VAL 88 Cb -0.10 -3.58 -0.08 0.00 -1.53 0.00 0.00 36.38 31.08 1q39 s VAL 88 CO 0.36 0.31 1.26 -0.22 -3.33 0.00 0.00 175.10 173.48 1q39 s LEU 89 N 1.13 4.14 0.00 2.54 2.96 -1.26 -1.41 118.68 126.78 1q39 s LEU 89 Ca 0.12 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 1q39 s LEU 89 Cb -0.14 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.53 1q39 s LEU 89 CO 0.06 -0.89 0.00 0.54 -1.32 0.00 0.00 176.35 174.73 1q39 n ARG 90 N -0.10 0.00 -4.16 1.98 5.12 0.32 -4.76 116.66 115.06 1q39 n ARG 90 Ca 0.05 0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.82 1q39 n ARG 90 Cb 0.45 -0.88 -0.13 0.00 -1.16 0.00 0.00 32.46 30.73 1q39 n ARG 90 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1q39 s VAL 91 N -1.98 0.51 -0.23 1.55 1.01 -1.07 -0.78 120.40 119.41 1q39 s VAL 91 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1q39 s VAL 91 Cb 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 36.38 35.99 1q39 s VAL 91 CO 0.00 -0.03 0.16 -0.75 0.00 0.00 0.00 175.10 174.48 1q39 s LYS 92 N -0.61 0.17 -0.22 2.72 2.36 -0.32 -1.51 119.74 122.33 1q39 s LYS 92 Ca -0.01 -0.18 -0.08 0.00 -2.55 0.00 0.00 55.97 53.15 1q39 s LYS 92 Cb -0.05 -1.32 -0.04 0.00 -1.05 0.00 0.00 37.83 35.38 1q39 s LYS 92 CO 0.00 -0.83 0.07 -0.51 1.55 0.00 0.00 175.35 175.63 1q39 s LEU 93 N 2.20 3.64 -0.08 5.43 1.43 -1.07 -0.50 118.68 129.72 1q39 s LEU 93 Ca 0.06 -0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1q39 s LEU 93 Cb -0.16 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1q39 s LEU 93 CO -0.22 0.06 -0.11 -1.58 0.23 0.00 0.00 176.35 174.72 1q39 s GLN 94 N 1.07 1.72 0.47 1.70 0.74 0.89 -1.60 119.66 124.64 1q39 s GLN 94 Ca 0.04 -0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.12 1q39 s GLN 94 Cb -0.14 -1.52 0.06 0.00 1.10 0.00 0.00 33.01 32.51 1q39 s GLN 94 CO 0.03 -0.07 0.46 0.25 -0.55 0.00 0.00 175.29 175.41 1q39 n THR 95 N 4.17 0.00 0.02 -0.34 -2.24 0.24 -0.42 114.28 115.71 1q39 n THR 95 Ca -0.20 -1.74 -0.10 0.00 -2.27 0.00 0.00 64.05 59.74 1q39 n THR 95 Cb 0.51 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 1q39 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q39 h ALA 96 N 0.51 -0.11 0.01 6.98 0.00 -1.96 -3.35 119.26 121.33 1q39 h ALA 96 Ca -0.27 0.03 -0.35 0.00 0.00 0.00 0.00 54.91 54.32 1q39 h ALA 96 Cb 1.05 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1q39 h ALA 96 CO 0.41 -0.62 -1.96 -0.40 0.00 0.00 0.00 179.25 176.67 1q39 n ASP 97 N -5.29 1.94 -4.86 0.00 5.75 -1.26 -4.56 116.55 108.27 1q39 n ASP 97 Ca -0.04 0.31 -0.22 0.00 -0.01 0.00 0.00 54.79 54.84 1q39 n ASP 97 Cb 0.21 -0.85 -0.04 0.00 -1.03 0.00 0.00 41.12 39.42 1q39 n ASP 97 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1q39 s LYS 98 N -2.46 3.00 -0.12 0.11 -0.14 -1.26 -0.28 119.74 118.59 1q39 s LYS 98 Ca -0.33 -1.03 -0.06 0.00 -1.36 0.00 0.00 55.97 53.19 1q39 s LYS 98 Cb 0.10 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 33.68 1q39 s LYS 98 CO 0.57 0.35 0.28 0.99 -0.76 0.00 0.00 175.35 176.79 1q39 s THR 99 N -2.13 -0.10 -0.06 2.17 2.01 -1.07 0.83 115.64 117.29 1q39 s THR 99 Ca 0.35 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 1q39 s THR 99 Cb -0.08 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1q39 s THR 99 CO 0.26 0.06 0.01 0.27 -0.69 0.00 0.00 174.62 174.53 1q39 s ILE 100 N 1.47 4.31 -0.04 1.82 -4.36 -0.63 -0.79 121.20 122.99 1q39 s ILE 100 Ca -0.08 -0.33 0.04 0.00 -0.26 0.00 0.00 60.65 60.02 1q39 s ILE 100 Cb -0.10 -2.85 -0.00 0.00 1.25 0.00 0.00 42.46 40.76 1q39 s ILE 100 CO -0.09 0.54 -0.17 -0.76 0.24 0.00 0.00 174.94 174.70 1q39 s LEU 101 N -1.09 1.92 -0.28 0.37 1.43 0.55 -2.60 118.68 118.98 1q39 s LEU 101 Ca 0.15 -0.34 -0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1q39 s LEU 101 Cb -0.11 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.17 1q39 s LEU 101 CO 0.05 0.15 0.09 -0.22 0.23 0.00 0.00 176.35 176.65 1q39 s LEU 102 N 0.00 3.75 0.02 1.79 2.96 -0.57 -0.65 118.68 125.99 1q39 s LEU 102 Ca -0.03 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1q39 s LEU 102 Cb -0.11 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1q39 s LEU 102 CO 0.02 -0.14 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.56 1q39 s TYR 103 N 1.56 2.94 0.00 5.38 2.02 -0.81 -0.53 117.35 127.92 1q39 s TYR 103 Ca 0.04 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1q39 s TYR 103 Cb -0.16 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 1q39 s TYR 103 CO 0.03 0.42 0.00 0.43 -1.57 0.00 0.00 175.55 174.86 1q39 n SER 104 N 1.30 0.00 -4.77 2.29 7.64 -0.50 -1.74 113.62 117.84 1q39 n SER 104 Ca -0.14 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.41 1q39 n SER 104 Cb 0.52 -0.89 0.06 0.00 -1.01 0.00 0.00 64.21 62.89 1q39 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q39 s ALA 105 N -1.15 2.38 0.00 -0.43 0.00 -1.26 -4.36 121.76 116.95 1q39 s ALA 105 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1q39 s ALA 105 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1q39 s ALA 105 CO 0.00 -1.46 0.00 0.43 0.00 0.00 0.00 175.76 174.73 1q39 n SER 106 N -2.76 3.76 -4.57 0.00 7.64 -1.26 -4.90 113.62 111.53 1q39 n SER 106 Ca 0.10 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.65 1q39 n SER 106 Cb 0.52 0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 63.71 1q39 n SER 106 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1q39 s ASP 107 N -3.87 5.70 -0.06 6.43 1.11 -1.26 -4.89 116.67 119.83 1q39 s ASP 107 Ca 0.00 -1.70 0.00 0.00 0.18 0.00 0.00 52.55 51.03 1q39 s ASP 107 Cb 0.00 -2.58 0.02 0.00 1.07 0.00 0.00 42.92 41.43 1q39 s ASP 107 CO 0.00 -2.33 -0.04 -0.63 1.18 0.00 0.00 175.17 173.34 1q39 s ILE 108 N 8.35 0.62 0.01 0.77 1.01 -1.26 -0.52 121.20 130.18 1q39 s ILE 108 Ca 0.62 -0.11 -0.04 0.00 0.00 0.00 0.00 60.65 61.13 1q39 s ILE 108 Cb -0.00 -0.67 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1q39 s ILE 108 CO 0.07 0.27 0.06 -1.61 0.00 0.00 0.00 174.94 173.73 1q39 s GLU 109 N 1.33 0.41 -0.29 2.79 2.02 -0.44 -5.00 118.70 119.53 1q39 s GLU 109 Ca -0.04 -0.51 -0.08 0.00 0.02 0.00 0.00 54.97 54.36 1q39 s GLU 109 Cb -0.14 0.16 -0.01 0.00 0.10 0.00 0.00 34.13 34.25 1q39 s GLU 109 CO -0.02 -0.09 0.10 1.41 0.02 0.00 0.00 175.26 176.67 1q39 s MET 110 N -1.48 3.31 -0.03 1.61 -2.45 -1.26 0.07 119.30 119.07 1q39 s MET 110 Ca -0.15 -0.72 0.04 0.00 -1.25 0.00 0.00 55.69 53.61 1q39 s MET 110 Cb -0.08 -3.41 -0.03 0.00 1.25 0.00 0.00 34.83 32.56 1q39 s MET 110 CO 0.00 -0.37 -0.13 -0.51 1.05 0.00 0.00 175.02 175.06 1q39 s LEU 111 N 1.56 2.82 0.33 4.11 1.43 0.57 -4.95 118.68 124.56 1q39 s LEU 111 Ca 0.04 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.88 1q39 s LEU 111 Cb -0.17 -1.60 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 1q39 s LEU 111 CO 0.04 0.33 0.62 -0.13 0.23 0.00 0.00 176.35 177.44 1q39 s ARG 112 N -0.93 3.65 0.33 1.70 0.52 -1.26 -1.83 118.95 121.14 1q39 s ARG 112 Ca 0.13 0.11 0.11 0.00 -0.52 0.00 0.00 55.73 55.56 1q39 s ARG 112 Cb -0.11 -2.57 0.98 0.00 0.52 0.00 0.00 34.95 33.78 1q39 s ARG 112 CO 0.02 0.12 1.65 -1.35 0.02 0.00 0.00 175.30 175.77 1q39 h PRO 113 N 1.43 0.27 0.00 3.54 0.11 -1.97 0.27 132.00 135.64 1q39 h PRO 113 Ca -0.48 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1q39 h PRO 113 Cb 1.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1q39 h PRO 113 CO 0.65 0.18 -0.16 1.05 -0.21 0.00 0.00 178.00 179.50 1q39 h GLU 114 N 0.28 0.00 -0.07 1.05 9.09 -1.96 -2.76 114.58 120.20 1q39 h GLU 114 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 1q39 h GLU 114 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 1q39 h GLU 114 CO -0.63 0.16 0.00 1.04 0.05 0.00 0.00 179.01 179.63 1q39 n GLN 115 N -4.09 1.54 -0.02 1.06 6.02 0.94 -4.17 117.38 118.65 1q39 n GLN 115 Ca -0.02 -0.80 -0.13 0.00 -0.01 0.00 0.00 57.00 56.04 1q39 n GLN 115 Cb 0.24 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 29.97 1q39 n GLN 115 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1q39 h LEU 116 N 1.78 -0.02 -1.02 1.08 3.38 -1.46 -2.98 115.31 116.07 1q39 h LEU 116 Ca 0.00 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1q39 h LEU 116 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1q39 h LEU 116 CO 0.00 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1q39 h THR 117 N -0.66 0.00 -0.00 0.22 1.03 -1.76 -3.16 112.91 108.58 1q39 h THR 117 Ca -0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 1q39 h THR 117 Cb 0.63 1.53 0.00 0.00 -1.07 0.00 0.00 68.15 69.24 1q39 h THR 117 CO 0.00 0.00 -0.67 0.35 -0.01 0.00 0.00 175.52 175.19 1q39 n THR 118 N -2.95 0.00 -2.02 0.00 -2.24 -1.24 -4.62 114.28 101.21 1q39 n THR 118 Ca 0.02 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1q39 n THR 118 Cb 0.34 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1q39 n THR 118 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1q39 s HIS 119 N -2.84 2.81 0.12 4.78 5.04 -1.13 -4.93 115.29 119.14 1q39 s HIS 119 Ca 0.13 0.59 -0.25 0.00 -1.54 0.00 0.00 55.06 53.99 1q39 s HIS 119 Cb 0.17 -3.86 -0.07 0.00 0.04 0.00 0.00 32.58 28.87 1q39 s HIS 119 CO 0.72 -3.27 1.43 -1.35 -2.34 0.00 0.00 174.74 169.93 1q39 h PRO 120 N 7.56 -0.10 0.26 2.88 0.11 -1.92 -0.96 132.00 139.84 1q39 h PRO 120 Ca -0.42 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1q39 h PRO 120 Cb 1.20 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1q39 h PRO 120 CO 0.91 -0.07 -0.13 0.35 -0.21 0.00 0.00 178.00 178.86 1q39 h PHE 121 N -0.10 -0.33 -1.04 0.65 3.57 -1.98 -3.20 116.94 114.52 1q39 h PHE 121 Ca 0.10 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.87 1q39 h PHE 121 Cb 0.37 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1q39 h PHE 121 CO -0.91 -0.04 0.69 -0.07 -2.23 0.00 0.00 178.31 175.75 1q39 h LEU 122 N -0.61 0.35 -1.75 0.59 3.38 -1.80 0.40 115.31 115.88 1q39 h LEU 122 Ca -0.04 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1q39 h LEU 122 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1q39 h LEU 122 CO 0.06 0.08 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1q39 n GLN 123 N -4.53 2.17 -0.01 1.13 10.64 -0.39 -3.10 117.38 123.29 1q39 n GLN 123 Ca 0.24 -0.95 0.01 0.00 -1.83 0.00 0.00 57.00 54.47 1q39 n GLN 123 Cb 0.92 -1.72 -0.04 0.00 -0.86 0.00 0.00 30.24 28.54 1q39 n GLN 123 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1q39 n ARG 124 N 0.19 1.43 -3.68 2.61 1.74 0.14 -4.92 116.66 114.17 1q39 n ARG 124 Ca 0.08 -0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.90 1q39 n ARG 124 Cb 0.53 -1.13 -0.17 0.00 -1.02 0.00 0.00 32.46 30.67 1q39 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1q39 s VAL 125 N -2.27 0.07 0.74 1.55 0.11 -1.18 -3.39 120.40 116.04 1q39 s VAL 125 Ca -0.02 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.98 1q39 s VAL 125 Cb 0.03 -0.48 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 1q39 s VAL 125 CO 0.21 -0.01 1.09 -0.83 -3.33 0.00 0.00 175.10 172.23 1q39 s GLY 126 N 2.08 1.63 0.76 6.54 0.00 -0.56 -4.74 107.32 113.03 1q39 s GLY 126 Ca 0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 1q39 s GLY 126 CO -0.06 -0.27 0.60 -1.05 0.00 0.00 0.00 173.10 172.33 1q39 n PRO 127 N -3.08 0.24 -3.29 2.90 -0.02 -1.26 -3.10 135.00 127.39 1q39 n PRO 127 Ca 0.08 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.30 1q39 n PRO 127 Cb 0.60 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 1q39 n PRO 127 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1q39 s ASP 128 N -1.60 6.69 0.63 2.55 -1.08 -1.26 -0.40 116.67 122.20 1q39 s ASP 128 Ca 0.66 0.83 0.30 0.00 -0.52 0.00 0.00 52.55 53.82 1q39 s ASP 128 Cb -0.33 -2.29 1.64 0.00 -1.46 0.00 0.00 42.92 40.48 1q39 s ASP 128 CO 0.58 -0.02 1.98 -0.37 0.52 0.00 0.00 175.17 177.86 1q39 h VAL 129 N 4.76 0.21 -0.60 1.11 -1.51 -1.49 0.45 116.25 119.18 1q39 h VAL 129 Ca -0.40 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 64.94 1q39 h VAL 129 Cb 1.18 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 30.97 1q39 h VAL 129 CO 0.75 0.00 0.16 0.18 -1.23 0.00 0.00 177.57 177.43 1q39 n LEU 130 N -3.33 5.46 -4.47 4.19 4.77 -1.26 -4.77 117.00 117.59 1q39 n LEU 130 Ca 0.02 -2.82 -0.43 0.00 -0.03 0.00 0.00 56.01 52.75 1q39 n LEU 130 Cb 0.43 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1q39 n LEU 130 CO 0.21 0.69 0.22 -0.62 -1.33 0.00 0.00 177.39 176.56 1q39 s ASP 131 N -0.77 6.22 0.29 -1.43 2.15 0.16 -4.96 116.67 118.34 1q39 s ASP 131 Ca 0.48 -0.75 0.02 0.00 0.43 0.00 0.00 52.55 52.73 1q39 s ASP 131 Cb 0.38 -2.26 0.73 0.00 -0.30 0.00 0.00 42.92 41.47 1q39 s ASP 131 CO 0.13 -0.72 1.62 -0.65 -0.17 0.00 0.00 175.17 175.37 1q39 h PRO 132 N 8.84 0.12 0.00 4.34 0.11 -1.88 0.44 132.00 143.97 1q39 h PRO 132 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1q39 h PRO 132 Cb 1.10 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1q39 h PRO 132 CO 0.87 0.08 -0.09 -0.91 -0.21 0.00 0.00 178.00 177.74 1q39 h ASN 133 N 0.12 0.00 -3.16 -2.05 2.35 -1.95 -3.41 115.58 107.48 1q39 h ASN 133 Ca 0.57 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.75 1q39 h ASN 133 Cb 1.17 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.49 1q39 h ASN 133 CO -0.74 0.09 1.06 -0.22 -1.65 0.00 0.00 177.43 175.97 1q39 s LEU 134 N -6.78 3.70 0.21 1.61 2.96 0.14 -5.01 118.68 115.52 1q39 s LEU 134 Ca -0.02 1.05 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 1q39 s LEU 134 Cb 0.12 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.23 1q39 s LEU 134 CO 0.56 -1.32 0.21 0.42 -1.32 0.00 0.00 176.35 174.90 1q39 s THR 135 N 5.16 4.66 0.23 3.68 -4.23 -1.26 -4.90 115.64 118.98 1q39 s THR 135 Ca 0.62 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1q39 s THR 135 Cb -0.16 -3.46 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1q39 s THR 135 CO 0.29 -0.24 1.70 -0.65 -0.54 0.00 0.00 174.62 175.18 1q39 h PRO 136 N 1.82 0.28 -0.66 3.99 0.11 -1.95 0.29 132.00 135.88 1q39 h PRO 136 Ca -0.49 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.74 1q39 h PRO 136 Cb 1.22 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1q39 h PRO 136 CO 0.62 0.19 0.45 0.93 -0.21 0.00 0.00 178.00 179.98 1q39 h GLU 137 N 0.29 0.35 0.01 1.05 3.07 -1.95 0.07 114.58 117.47 1q39 h GLU 137 Ca 0.38 -0.02 -0.23 0.00 -0.50 0.00 0.00 59.36 58.99 1q39 h GLU 137 Cb 0.61 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1q39 h GLU 137 CO -0.46 0.23 -0.97 0.28 -1.40 0.00 0.00 179.01 176.70 1q39 h VAL 138 N 0.36 1.41 -0.47 3.13 2.07 -0.86 -2.97 116.25 118.93 1q39 h VAL 138 Ca 0.32 -2.51 -0.11 0.00 0.82 0.00 0.00 66.70 65.22 1q39 h VAL 138 Cb 0.75 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1q39 h VAL 138 CO -0.09 0.75 -0.14 0.58 0.02 0.00 0.00 177.57 178.69 1q39 h VAL 139 N 0.21 1.27 -0.41 2.57 2.07 -0.06 -2.30 116.25 119.61 1q39 h VAL 139 Ca -0.08 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.17 1q39 h VAL 139 Cb 1.61 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 1q39 h VAL 139 CO 0.17 0.44 0.25 0.11 0.02 0.00 0.00 177.57 178.56 1q39 h LYS 140 N 0.77 0.50 -0.38 1.57 1.57 -1.09 0.31 116.57 119.81 1q39 h LYS 140 Ca 0.12 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1q39 h LYS 140 Cb 0.70 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1q39 h LYS 140 CO 0.05 0.33 0.06 0.93 -0.57 0.00 0.00 179.45 180.25 1q39 h GLU 141 N 0.52 0.17 -0.23 3.15 5.08 -1.36 0.20 114.58 122.12 1q39 h GLU 141 Ca 0.16 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1q39 h GLU 141 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1q39 h GLU 141 CO -0.06 0.11 0.13 -0.09 -1.00 0.00 0.00 179.01 178.11 1q39 h ARG 142 N 0.18 0.31 -0.89 2.33 2.43 -0.97 0.17 114.38 117.94 1q39 h ARG 142 Ca 0.18 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.42 1q39 h ARG 142 Cb 0.23 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 1q39 h ARG 142 CO -0.26 0.28 0.54 -0.07 -1.51 0.00 0.00 179.97 178.95 1q39 h LEU 143 N 0.26 0.79 0.00 3.80 3.38 0.59 -2.30 115.31 121.83 1q39 h LEU 143 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1q39 h LEU 143 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1q39 h LEU 143 CO -0.01 0.44 -0.34 0.18 0.09 0.00 0.00 178.44 178.80 1q39 n LEU 144 N -4.68 0.50 -4.70 1.67 4.77 0.61 -2.07 117.00 113.10 1q39 n LEU 144 Ca 0.15 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 56.04 1q39 n LEU 144 Cb 0.29 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1q39 n LEU 144 CO 0.28 -0.01 0.81 -1.54 -1.33 0.00 0.00 177.39 175.60 1q39 n SER 145 N -1.82 1.75 0.12 -1.43 3.41 0.54 -4.50 113.62 111.70 1q39 n SER 145 Ca 0.05 0.82 0.20 0.00 -0.26 0.00 0.00 58.87 59.68 1q39 n SER 145 Cb 0.39 -1.52 0.73 0.00 -0.26 0.00 0.00 64.21 63.55 1q39 n SER 145 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1q39 h PRO 146 N 0.51 0.00 -0.16 4.33 0.11 -1.91 -0.54 132.00 134.34 1q39 h PRO 146 Ca -0.50 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1q39 h PRO 146 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1q39 h PRO 146 CO 0.52 0.00 -0.44 -0.09 -0.21 0.00 0.00 178.00 177.78 1q39 h ARG 147 N 0.00 0.39 0.00 1.05 2.43 -1.90 -3.40 114.38 112.95 1q39 h ARG 147 Ca 0.17 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1q39 h ARG 147 Cb 1.12 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1q39 h ARG 147 CO -0.00 0.76 -1.05 1.19 -1.51 0.00 0.00 179.97 179.36 1q39 n PHE 148 N -4.00 0.00 -0.03 2.20 3.72 -0.64 -4.76 117.46 113.95 1q39 n PHE 148 Ca -0.02 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.54 1q39 n PHE 148 Cb 0.52 -0.04 0.24 0.00 -0.94 0.00 0.00 39.48 39.26 1q39 n PHE 148 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1q39 n ARG 149 N -2.20 0.02 -1.53 -1.08 1.85 -0.31 0.12 116.66 113.52 1q39 n ARG 149 Ca -0.01 0.84 -0.19 0.00 -1.00 0.00 0.00 57.85 57.48 1q39 n ARG 149 Cb 0.52 -2.14 0.08 0.00 -1.05 0.00 0.00 32.46 29.88 1q39 n ARG 149 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1q39 n ASN 150 N -2.67 4.59 -4.38 2.89 5.15 -1.26 -1.96 115.26 117.61 1q39 n ASN 150 Ca 0.13 -3.78 -0.31 0.00 -0.60 0.00 0.00 54.58 50.02 1q39 n ASN 150 Cb 1.14 -0.52 -0.14 0.00 -0.53 0.00 0.00 39.78 39.72 1q39 n ASN 150 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1q39 s ARG 151 N -3.54 2.11 0.30 1.20 0.52 0.12 -5.03 118.95 114.63 1q39 s ARG 151 Ca 0.51 -0.94 -0.29 0.00 -0.52 0.00 0.00 55.73 54.49 1q39 s ARG 151 Cb 0.42 -2.12 -0.10 0.00 0.52 0.00 0.00 34.95 33.67 1q39 s ARG 151 CO 0.01 0.56 1.34 -0.65 0.02 0.00 0.00 175.30 176.58 1q39 s GLN 152 N -0.95 4.33 0.48 3.54 -0.21 -1.26 -4.28 119.66 121.31 1q39 s GLN 152 Ca 0.12 2.23 0.21 0.00 0.02 0.00 0.00 55.36 57.94 1q39 s GLN 152 Cb -0.10 -3.09 1.22 0.00 1.00 0.00 0.00 33.01 32.04 1q39 s GLN 152 CO 0.01 -0.25 2.02 0.74 -2.12 0.00 0.00 175.29 175.69 1q39 h PHE 153 N 3.93 0.00 -0.63 0.91 0.04 -1.25 -1.97 116.94 117.97 1q39 h PHE 153 Ca -0.48 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.42 1q39 h PHE 153 Cb 1.22 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.26 1q39 h PHE 153 CO 0.57 0.17 -0.08 0.00 -0.60 0.00 0.00 178.31 178.36 1q39 h ALA 154 N 1.83 0.52 0.03 2.45 0.00 -1.56 -0.74 119.26 121.79 1q39 h ALA 154 Ca -0.00 0.22 -0.35 0.00 0.00 0.00 0.00 54.91 54.79 1q39 h ALA 154 Cb 0.36 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1q39 h ALA 154 CO 0.02 -0.42 -2.09 0.41 0.00 0.00 0.00 179.25 177.17 1q39 n GLY 155 N -1.40 -0.78 0.16 0.00 0.00 -1.16 -4.29 105.19 97.72 1q39 n GLY 155 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1q39 n GLY 155 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q39 h LEU 156 N 0.02 -0.18 0.00 0.99 5.85 -1.16 0.28 115.31 121.12 1q39 h LEU 156 Ca -0.44 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1q39 h LEU 156 Cb 2.06 0.16 0.00 0.00 0.37 0.00 0.00 40.66 43.25 1q39 h LEU 156 CO 0.04 -0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.27 1q39 n LEU 157 N -5.20 0.00 -0.09 2.25 4.32 -0.30 -1.26 117.00 116.72 1q39 n LEU 157 Ca 0.02 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 56.04 1q39 n LEU 157 Cb 0.20 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.99 1q39 n LEU 157 CO 0.20 0.00 0.11 -0.11 -1.22 0.00 0.00 177.39 176.37 1q39 n LEU 158 N -0.89 0.70 -4.49 2.23 7.94 0.84 -4.63 117.00 118.70 1q39 n LEU 158 Ca 0.10 -0.67 -0.43 0.00 -1.11 0.00 0.00 56.01 53.89 1q39 n LEU 158 Cb 0.04 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 43.92 1q39 n LEU 158 CO 0.07 0.15 0.31 -0.62 -1.11 0.00 0.00 177.39 176.20 1q39 s ASP 159 N -1.18 6.27 0.55 1.96 2.15 -0.22 -4.95 116.67 121.26 1q39 s ASP 159 Ca 0.04 -0.57 0.37 0.00 0.43 0.00 0.00 52.55 52.82 1q39 s ASP 159 Cb 0.05 -2.29 1.96 0.00 -0.30 0.00 0.00 42.92 42.34 1q39 s ASP 159 CO 0.18 -0.77 2.13 -0.61 -0.17 0.00 0.00 175.17 175.93 1q39 h GLN 160 N 8.88 0.00 0.00 4.34 -0.00 -1.85 -1.25 115.11 125.23 1q39 h GLN 160 Ca -0.26 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.35 1q39 h GLN 160 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 1q39 h GLN 160 CO 0.89 0.00 -0.21 0.00 0.00 0.00 0.00 178.83 179.52 1q39 h ALA 161 N 2.01 1.18 0.00 3.38 0.00 -1.91 -1.48 119.26 122.44 1q39 h ALA 161 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1q39 h ALA 161 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1q39 h ALA 161 CO 0.00 0.26 -0.32 0.35 0.00 0.00 0.00 179.25 179.54 1q39 h PHE 162 N 0.00 0.00 -2.87 0.00 3.57 -1.53 -2.30 116.94 113.80 1q39 h PHE 162 Ca -0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 1q39 h PHE 162 Cb 0.56 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.02 1q39 h PHE 162 CO 0.00 0.41 -0.39 -0.51 -2.23 0.00 0.00 178.31 175.59 1q39 s LEU 163 N -8.30 0.28 0.21 0.59 1.43 -1.18 -4.23 118.68 107.48 1q39 s LEU 163 Ca -0.12 0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 53.48 1q39 s LEU 163 Cb 0.01 1.02 -0.08 0.00 0.03 0.00 0.00 46.19 47.17 1q39 s LEU 163 CO 0.28 -0.17 0.68 0.00 0.23 0.00 0.00 176.35 177.38 1q39 s ALA 164 N 1.14 3.45 0.00 4.21 0.00 0.46 -4.19 121.76 126.84 1q39 s ALA 164 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1q39 s ALA 164 Cb -0.08 -2.75 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1q39 s ALA 164 CO -0.09 0.36 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1q39 n GLY 165 N 0.69 0.88 3.41 0.00 0.00 -1.26 -1.16 105.19 107.76 1q39 n GLY 165 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1q39 n GLY 165 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q39 s LEU 166 N 0.00 4.26 0.46 0.99 1.43 -1.26 -4.91 118.68 119.65 1q39 s LEU 166 Ca 0.00 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 1q39 s LEU 166 Cb 0.00 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.23 1q39 s LEU 166 CO 0.00 -0.25 0.48 -0.83 0.23 0.00 0.00 176.35 175.99 1q39 s GLY 167 N 1.59 2.07 0.48 -3.19 0.00 -1.26 -4.76 107.32 102.25 1q39 s GLY 167 Ca 0.04 -1.79 0.19 0.00 0.00 0.00 0.00 44.72 43.16 1q39 s GLY 167 CO 0.06 -1.69 2.03 -0.57 0.00 0.00 0.00 173.10 172.93 1q39 h ASN 168 N 0.78 0.00 1.09 1.64 -1.24 -1.97 -2.04 115.58 113.84 1q39 h ASN 168 Ca -0.39 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.61 1q39 h ASN 168 Cb 1.28 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.33 1q39 h ASN 168 CO 0.52 0.15 -0.05 0.10 -1.29 0.00 0.00 177.43 176.87 1q39 h TYR 169 N 0.00 0.00 0.00 0.67 -0.00 -1.95 -2.74 116.97 112.95 1q39 h TYR 169 Ca -0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.73 58.54 1q39 h TYR 169 Cb 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.01 1q39 h TYR 169 CO 0.00 0.05 -1.84 1.28 -0.00 0.00 0.00 178.16 177.64 1q39 n LEU 170 N -3.15 0.41 0.09 0.10 4.77 -0.92 -3.85 117.00 114.44 1q39 n LEU 170 Ca 0.01 0.18 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 1q39 n LEU 170 Cb 0.35 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1q39 n LEU 170 CO 0.29 0.22 0.71 -0.09 -1.33 0.00 0.00 177.39 177.18 1q39 h ARG 171 N 0.00 -0.18 -0.73 3.23 2.43 -1.11 -1.29 114.38 116.73 1q39 h ARG 171 Ca -0.24 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1q39 h ARG 171 Cb 1.65 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 31.21 1q39 h ARG 171 CO 0.03 0.06 0.29 -0.39 -1.51 0.00 0.00 179.97 178.45 1q39 h VAL 172 N -0.41 1.25 -0.34 0.20 -1.51 -1.69 -2.07 116.25 111.68 1q39 h VAL 172 Ca -0.02 -0.79 -0.05 0.00 -1.23 0.00 0.00 66.70 64.61 1q39 h VAL 172 Cb 0.32 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 29.87 1q39 h VAL 172 CO 0.03 0.32 0.03 -0.33 -1.23 0.00 0.00 177.57 176.40 1q39 h GLU 173 N 1.05 0.58 -0.56 5.19 4.39 -1.66 -1.98 114.58 121.59 1q39 h GLU 173 Ca 0.24 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.82 1q39 h GLU 173 Cb 0.22 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 1q39 h GLU 173 CO -0.02 0.68 0.30 0.82 -1.16 0.00 0.00 179.01 179.62 1q39 h ILE 174 N 0.40 0.96 -0.01 3.13 2.04 -1.09 -2.18 117.51 120.76 1q39 h ILE 174 Ca 0.10 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.65 1q39 h ILE 174 Cb 0.39 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1q39 h ILE 174 CO 0.01 0.10 -0.55 -0.07 0.00 0.00 0.00 178.15 177.64 1q39 h LEU 175 N 0.57 0.03 -0.71 1.44 3.38 -1.26 -2.97 115.31 115.80 1q39 h LEU 175 Ca 0.25 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1q39 h LEU 175 Cb 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1q39 h LEU 175 CO -0.16 0.58 -0.32 -0.25 0.09 0.00 0.00 178.44 178.38 1q39 h TRP 176 N 0.02 0.00 0.00 1.13 7.01 -0.91 -0.14 115.95 123.06 1q39 h TRP 176 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1q39 h TRP 176 Cb 0.98 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1q39 h TRP 176 CO 0.00 0.32 0.00 -0.56 -2.79 0.00 0.00 178.44 175.41 1q39 h GLN 177 N 0.00 0.00 -0.22 2.65 3.07 -1.23 -3.17 115.11 116.21 1q39 h GLN 177 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1q39 h GLN 177 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.53 1q39 h GLN 177 CO 0.04 0.00 0.00 1.33 0.09 0.00 0.00 178.83 180.29 1q39 n VAL 178 N -3.08 1.53 -3.68 1.86 0.24 -1.19 -5.00 118.33 109.01 1q39 n VAL 178 Ca 0.04 -1.45 -0.24 0.00 -2.04 0.00 0.00 64.34 60.65 1q39 n VAL 178 Cb 0.51 0.16 0.06 0.00 -1.47 0.00 0.00 33.84 33.10 1q39 n VAL 178 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1q39 n GLY 179 N -0.24 -0.47 3.33 7.63 0.00 -0.99 -5.01 105.19 109.43 1q39 n GLY 179 Ca 0.13 0.20 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1q39 n GLY 179 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q39 s LEU 180 N -7.07 2.16 0.65 0.99 1.43 -0.10 -3.03 118.68 113.71 1q39 s LEU 180 Ca 0.44 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1q39 s LEU 180 Cb -0.21 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1q39 s LEU 180 CO 0.77 0.25 0.99 0.42 0.23 0.00 0.00 176.35 179.01 1q39 s THR 181 N -0.79 3.47 -2.00 5.49 -4.23 -1.25 -4.51 115.64 111.83 1q39 s THR 181 Ca 0.11 0.18 0.13 0.00 -1.18 0.00 0.00 61.69 60.93 1q39 s THR 181 Cb -0.10 -3.43 0.37 0.00 1.34 0.00 0.00 72.50 70.68 1q39 s THR 181 CO 0.02 -0.50 1.34 0.61 -0.54 0.00 0.00 174.62 175.56 1q39 n GLY 182 N -2.79 -0.79 1.16 3.99 0.00 -1.26 -3.54 105.19 101.96 1q39 n GLY 182 Ca 0.06 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1q39 n GLY 182 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q39 n ASN 183 N -0.76 3.43 -4.88 1.61 0.23 -1.26 -1.50 115.26 112.13 1q39 n ASN 183 Ca 0.10 -1.98 -0.30 0.00 -0.53 0.00 0.00 54.58 51.87 1q39 n ASN 183 Cb 0.04 -0.33 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 1q39 n ASN 183 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1q39 s HIS 184 N -1.34 3.49 0.19 -2.53 3.76 -1.23 -4.83 115.29 112.80 1q39 s HIS 184 Ca 0.41 1.02 0.11 0.00 -0.15 0.00 0.00 55.06 56.45 1q39 s HIS 184 Cb 0.23 -2.43 -0.04 0.00 1.11 0.00 0.00 32.58 31.44 1q39 s HIS 184 CO 0.31 -0.16 -0.23 0.15 -0.85 0.00 0.00 174.74 173.96 1q39 s LYS 185 N -4.07 1.57 0.18 1.40 3.01 -1.26 -1.51 119.74 119.06 1q39 s LYS 185 Ca 0.51 -1.50 0.15 0.00 -1.01 0.00 0.00 55.97 54.11 1q39 s LYS 185 Cb -0.10 -1.88 0.73 0.00 -1.01 0.00 0.00 37.83 35.57 1q39 s LYS 185 CO 0.35 0.40 1.45 0.00 0.51 0.00 0.00 175.35 178.06 1q39 n ALA 186 N 0.24 1.22 1.26 5.17 0.00 -1.14 -1.13 120.51 126.13 1q39 n ALA 186 Ca -0.12 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.54 1q39 n ALA 186 Cb 0.56 -1.23 0.37 0.00 0.00 0.00 0.00 19.45 19.15 1q39 n ALA 186 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1q39 n LYS 187 N -1.94 1.03 -1.01 0.00 2.85 -0.83 -3.80 118.16 114.47 1q39 n LYS 187 Ca 0.00 -0.64 -0.12 0.00 -1.05 0.00 0.00 58.31 56.50 1q39 n LYS 187 Cb 0.08 -1.49 0.18 0.00 -0.65 0.00 0.00 35.03 33.15 1q39 n LYS 187 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1q39 n ASP 188 N -0.43 3.17 -4.08 -5.58 8.00 -0.28 -4.98 116.55 112.37 1q39 n ASP 188 Ca 0.13 -3.75 -0.25 0.00 0.71 0.00 0.00 54.79 51.63 1q39 n ASP 188 Cb 0.36 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 1q39 n ASP 188 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1q39 s LEU 189 N -3.32 1.81 1.04 0.64 1.43 -1.25 -4.90 118.68 114.14 1q39 s LEU 189 Ca 0.49 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1q39 s LEU 189 Cb 0.43 -0.86 0.21 0.00 0.03 0.00 0.00 46.19 46.00 1q39 s LEU 189 CO 0.03 0.10 1.08 0.54 0.23 0.00 0.00 176.35 178.33 1q39 s ASN 190 N 0.29 2.21 0.19 2.29 2.20 -1.26 -4.68 114.94 116.18 1q39 s ASN 190 Ca -0.08 1.16 -0.12 0.00 -0.94 0.00 0.00 52.86 52.89 1q39 s ASN 190 Cb -0.13 -1.82 0.21 0.00 -2.00 0.00 0.00 41.25 37.52 1q39 s ASN 190 CO 0.03 -3.39 1.74 0.00 -2.94 0.00 0.00 177.10 172.54 1q39 h ALA 191 N -2.07 0.66 -0.38 3.54 0.00 -2.00 -1.14 119.26 117.88 1q39 h ALA 191 Ca -0.55 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1q39 h ALA 191 Cb 1.33 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1q39 h ALA 191 CO 0.56 -0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.76 1q39 h ALA 192 N 1.37 0.49 -0.71 0.00 0.00 -1.99 -1.31 119.26 117.11 1q39 h ALA 192 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1q39 h ALA 192 Cb 0.31 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1q39 h ALA 192 CO -0.28 0.06 0.42 1.96 0.00 0.00 0.00 179.25 181.40 1q39 h GLN 193 N 0.47 0.98 -0.55 0.00 4.20 -1.84 -0.39 115.11 117.99 1q39 h GLN 193 Ca 0.13 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1q39 h GLN 193 Cb 0.13 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1q39 h GLN 193 CO -0.02 0.70 0.26 1.25 -0.67 0.00 0.00 178.83 180.36 1q39 h LEU 194 N 0.98 0.71 -0.80 1.46 7.12 -0.98 -2.80 115.31 121.00 1q39 h LEU 194 Ca 0.26 -0.13 -0.12 0.00 0.13 0.00 0.00 57.88 58.01 1q39 h LEU 194 Cb -0.01 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 39.92 1q39 h LEU 194 CO -0.05 0.64 -0.47 -0.78 -0.13 0.00 0.00 178.44 177.65 1q39 h ASP 195 N 0.73 0.32 -0.26 1.25 3.58 -0.86 -2.09 116.42 119.09 1q39 h ASP 195 Ca 0.19 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1q39 h ASP 195 Cb 0.12 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 1q39 h ASP 195 CO -0.02 0.75 0.16 0.00 -2.88 0.00 0.00 179.24 177.24 1q39 h ALA 196 N 1.27 0.34 -0.47 -0.78 0.00 -0.86 -2.21 119.26 116.54 1q39 h ALA 196 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1q39 h ALA 196 Cb 0.93 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1q39 h ALA 196 CO 0.08 -0.17 -0.20 1.25 0.00 0.00 0.00 179.25 180.21 1q39 h LEU 197 N 0.33 0.98 -1.77 0.00 5.85 -1.49 -1.63 115.31 117.58 1q39 h LEU 197 Ca 0.09 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.54 1q39 h LEU 197 Cb 0.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1q39 h LEU 197 CO -0.02 1.14 0.33 0.00 -0.34 0.00 0.00 178.44 179.55 1q39 h ALA 198 N 0.93 2.09 0.03 1.25 0.00 -1.08 -0.51 119.26 121.97 1q39 h ALA 198 Ca 0.11 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 1q39 h ALA 198 Cb 0.77 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1q39 h ALA 198 CO 0.06 -0.20 -1.43 0.45 0.00 0.00 0.00 179.25 178.13 1q39 h HIS 199 N 0.27 0.13 0.15 0.00 3.86 -1.15 -3.36 115.15 115.04 1q39 h HIS 199 Ca 0.22 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1q39 h HIS 199 Cb 0.52 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1q39 h HIS 199 CO -0.00 1.12 -0.07 0.00 0.86 0.00 0.00 177.93 179.84 1q39 h ALA 200 N 0.85 -0.20 -0.21 2.45 0.00 -0.19 -1.15 119.26 120.80 1q39 h ALA 200 Ca -0.19 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1q39 h ALA 200 Cb 1.93 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1q39 h ALA 200 CO 0.12 -0.59 0.55 -0.07 0.00 0.00 0.00 179.25 179.25 1q39 h LEU 201 N -0.23 0.00 0.00 0.00 3.38 -1.30 -2.40 115.31 114.75 1q39 h LEU 201 Ca -0.02 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 1q39 h LEU 201 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1q39 h LEU 201 CO 0.03 0.00 -2.08 0.18 0.09 0.00 0.00 178.44 176.67 1q39 n LEU 202 N -3.10 2.40 0.02 1.67 4.77 -1.07 -4.42 117.00 117.27 1q39 n LEU 202 Ca 0.03 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 1q39 n LEU 202 Cb 0.65 -0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 1q39 n LEU 202 CO 0.16 0.67 0.87 -0.33 -1.33 0.00 0.00 177.39 177.43 1q39 h GLU 203 N -0.26 0.05 -0.01 3.23 5.08 -0.84 -0.41 114.58 121.41 1q39 h GLU 203 Ca -0.45 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.74 1q39 h GLU 203 Cb 1.57 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1q39 h GLU 203 CO -0.15 0.07 -0.75 -0.84 -1.00 0.00 0.00 179.01 176.34 1q39 h ILE 204 N 0.01 1.49 -0.33 3.13 -0.00 -1.69 0.18 117.51 120.30 1q39 h ILE 204 Ca 0.01 -2.44 -0.13 0.00 -0.00 0.00 0.00 64.86 62.30 1q39 h ILE 204 Cb 0.03 2.32 -0.01 0.00 -0.00 0.00 0.00 36.82 39.17 1q39 h ILE 204 CO -0.00 0.71 -0.30 -0.65 -0.00 0.00 0.00 178.15 177.91 1q39 h PRO 205 N 0.06 0.79 -0.09 0.16 0.11 -1.73 0.16 132.00 131.47 1q39 h PRO 205 Ca -0.02 -0.40 -0.15 0.00 0.11 0.00 0.00 66.00 65.54 1q39 h PRO 205 Cb 1.32 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1q39 h PRO 205 CO 0.10 1.03 -0.61 0.00 -0.21 0.00 0.00 178.00 178.31 1q39 h ARG 206 N 0.56 0.30 -0.13 1.05 3.08 -1.03 -2.35 114.38 115.87 1q39 h ARG 206 Ca 0.06 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1q39 h ARG 206 Cb 0.87 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1q39 h ARG 206 CO 0.08 0.82 -0.11 0.35 -1.07 0.00 0.00 179.97 180.03 1q39 h PHE 207 N 0.22 0.36 -0.40 3.04 3.57 -0.58 0.64 116.94 123.79 1q39 h PHE 207 Ca -0.01 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1q39 h PHE 207 Cb 1.13 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 1q39 h PHE 207 CO 0.03 0.70 0.13 1.03 -2.23 0.00 0.00 178.31 177.96 1q39 h SER 208 N -0.08 0.12 0.03 0.41 0.87 -0.60 -2.91 113.55 111.40 1q39 h SER 208 Ca 0.02 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1q39 h SER 208 Cb 0.63 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 1q39 h SER 208 CO 0.03 0.11 -0.02 0.22 -0.53 0.00 0.00 176.83 176.64 1q39 h TYR 209 N 0.29 -0.04 -0.68 2.24 5.03 -1.42 -2.95 116.97 119.43 1q39 h TYR 209 Ca 0.19 -0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.69 1q39 h TYR 209 Cb 0.18 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.45 1q39 h TYR 209 CO -0.16 0.56 0.61 0.00 -1.32 0.00 0.00 178.16 177.85 1q39 h ALA 210 N 0.21 2.51 -0.25 1.82 0.00 -0.87 -1.41 119.26 121.27 1q39 h ALA 210 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q39 h ALA 210 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1q39 h ALA 210 CO 0.01 -0.96 0.00 0.25 0.00 0.00 0.00 179.25 178.55 1q39 n THR 211 N -3.88 1.30 -1.82 0.00 -2.24 -1.10 -5.03 114.28 101.51 1q39 n THR 211 Ca 0.14 -1.24 -0.40 0.00 -2.27 0.00 0.00 64.05 60.27 1q39 n THR 211 Cb 0.86 0.31 0.01 0.00 -2.10 0.00 0.00 70.33 69.41 1q39 n THR 211 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1q39 s ARG 212 N -1.46 3.80 0.25 -0.78 3.52 -0.53 -4.74 118.95 118.99 1q39 s ARG 212 Ca 0.23 2.43 0.09 0.00 -0.13 0.00 0.00 55.73 58.36 1q39 s ARG 212 Cb 0.15 -2.73 -0.04 0.00 -1.56 0.00 0.00 34.95 30.77 1q39 s ARG 212 CO 0.11 -0.73 -0.04 0.20 -0.81 0.00 0.00 175.30 174.03 1q39 s GLY 213 N -0.45 1.69 1.06 8.12 0.00 -1.26 -5.08 107.32 111.40 1q39 s GLY 213 Ca 0.59 -1.62 -0.18 0.00 0.00 0.00 0.00 44.72 43.51 1q39 s GLY 213 CO 0.57 -1.68 -0.04 -1.06 0.00 0.00 0.00 173.10 170.89 1q39 n GLN 214 N -0.65 -1.73 -2.80 2.90 3.00 -1.26 -4.91 117.38 111.93 1q39 n GLN 214 Ca -0.07 -0.50 -0.38 0.00 -0.01 0.00 0.00 57.00 56.03 1q39 n GLN 214 Cb 0.58 -1.52 -0.06 0.00 0.00 0.00 0.00 30.24 29.23 1q39 n GLN 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1q39 s VAL 215 N -2.14 4.20 0.00 5.09 -7.23 -1.26 -3.50 120.40 115.55 1q39 s VAL 215 Ca 0.45 1.87 0.00 0.00 -1.81 0.00 0.00 61.98 62.50 1q39 s VAL 215 Cb -0.07 -4.11 0.00 0.00 0.56 0.00 0.00 36.38 32.76 1q39 s VAL 215 CO 0.52 0.28 0.00 0.47 -0.31 0.00 0.00 175.10 176.06 1q39 n ASP 216 N 0.92 -2.74 0.13 4.85 8.00 -1.26 -4.84 116.55 121.61 1q39 n ASP 216 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.50 1q39 n ASP 216 Cb 0.49 -1.64 0.26 0.00 -0.02 0.00 0.00 41.12 40.21 1q39 n ASP 216 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1q39 h GLU 217 N 0.93 0.11 0.00 -1.24 4.81 -1.91 -2.68 114.58 114.59 1q39 h GLU 217 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1q39 h GLU 217 Cb 0.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1q39 h GLU 217 CO 0.00 0.53 0.00 -2.95 -0.73 0.00 0.00 179.01 175.86 1q39 h ASN 218 N 0.09 0.00 0.12 1.04 7.08 -1.83 -1.27 115.58 120.81 1q39 h ASN 218 Ca 0.01 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1q39 h ASN 218 Cb 0.82 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.06 1q39 h ASN 218 CO 0.06 0.00 -0.02 0.11 -2.08 0.00 0.00 177.43 175.51 1q39 h LYS 219 N 0.00 0.00 0.00 4.14 1.79 -1.88 -3.17 116.57 117.45 1q39 h LYS 219 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1q39 h LYS 219 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1q39 h LYS 219 CO 0.00 0.02 0.00 -2.39 -1.08 0.00 0.00 179.45 176.00 1q39 n HIS 220 N -3.42 0.00 -3.42 -1.35 1.44 -0.53 -5.06 115.22 102.87 1q39 n HIS 220 Ca -0.03 -0.08 0.01 0.00 -2.01 0.00 0.00 57.72 55.61 1q39 n HIS 220 Cb 0.11 -0.01 -0.04 0.00 0.12 0.00 0.00 29.99 30.17 1q39 n HIS 220 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1q39 s HIS 221 N -0.17 -0.60 0.14 -1.40 5.65 -0.89 -5.15 115.29 112.87 1q39 s HIS 221 Ca 0.00 1.06 -0.30 0.00 0.25 0.00 0.00 55.06 56.07 1q39 s HIS 221 Cb 0.00 0.36 -0.07 0.00 -1.18 0.00 0.00 32.58 31.70 1q39 s HIS 221 CO 0.00 -0.30 1.05 0.20 -0.65 0.00 0.00 174.74 175.04 1q39 s GLY 222 N 2.25 2.87 0.76 1.59 0.00 -1.26 -3.83 107.32 109.70 1q39 s GLY 222 Ca -0.03 0.72 -0.15 0.00 0.00 0.00 0.00 44.72 45.26 1q39 s GLY 222 CO -0.17 1.61 1.06 0.00 0.00 0.00 0.00 173.10 175.61 1q39 n ALA 223 N 2.71 -0.13 -0.03 3.20 0.00 -1.26 -4.90 120.51 120.10 1q39 n ALA 223 Ca 0.03 -0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 1q39 n ALA 223 Cb 0.47 -2.17 0.10 0.00 0.00 0.00 0.00 19.45 17.85 1q39 n ALA 223 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1q39 h LEU 224 N -0.50 0.65 -8.93 0.00 5.85 -1.95 -3.40 115.31 107.03 1q39 h LEU 224 Ca -0.47 -0.28 -0.59 0.00 0.84 0.00 0.00 57.88 57.38 1q39 h LEU 224 Cb 1.32 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.08 1q39 h LEU 224 CO 0.46 0.96 0.54 0.12 -0.34 0.00 0.00 178.44 180.18 1q39 s PHE 225 N -4.32 3.19 -0.07 1.25 5.36 -1.26 -5.04 117.98 117.09 1q39 s PHE 225 Ca -0.08 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 56.86 1q39 s PHE 225 Cb 0.12 -3.36 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1q39 s PHE 225 CO 0.83 -0.62 -0.13 1.03 -1.46 0.00 0.00 175.22 174.86 1q39 s ARG 226 N 3.17 2.71 0.47 10.12 1.81 -1.26 -5.10 118.95 130.86 1q39 s ARG 226 Ca 0.36 -0.68 -0.21 0.00 -1.72 0.00 0.00 55.73 53.48 1q39 s ARG 226 Cb -0.14 -2.45 -0.08 0.00 -0.45 0.00 0.00 34.95 31.83 1q39 s ARG 226 CO 0.13 0.54 1.08 -0.06 -0.68 0.00 0.00 175.30 176.31 1q39 s PHE 227 N -0.52 2.98 -0.09 -0.53 0.08 -1.26 -4.97 117.98 113.68 1q39 s PHE 227 Ca 0.07 1.58 0.12 0.00 0.12 0.00 0.00 56.93 58.82 1q39 s PHE 227 Cb -0.12 -3.17 -0.17 0.00 -0.57 0.00 0.00 43.02 38.99 1q39 s PHE 227 CO 0.02 -1.01 0.13 1.63 -0.10 0.00 0.00 175.22 175.88 1q39 n LYS 228 N -0.75 1.41 0.00 0.44 4.76 -1.26 -4.81 118.16 117.95 1q39 n LYS 228 Ca 0.08 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1q39 n LYS 228 Cb 0.51 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.38 1q39 n LYS 228 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1q39 n VAL 229 N -2.29 0.00 -2.40 -0.18 0.24 -1.26 -4.85 118.33 107.59 1q39 n VAL 229 Ca -0.14 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.72 1q39 n VAL 229 Cb 0.71 0.67 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 1q39 n VAL 229 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1q39 s PHE 230 N -0.07 2.85 -1.56 6.34 5.36 -1.26 -2.89 117.98 126.75 1q39 s PHE 230 Ca 0.00 0.99 -0.02 0.00 -0.96 0.00 0.00 56.93 56.94 1q39 s PHE 230 Cb 0.00 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 1q39 s PHE 230 CO 0.00 -1.79 0.28 0.72 -1.46 0.00 0.00 175.22 172.97 1q39 n HIS 231 N 6.35 -1.37 -2.22 10.12 8.25 -1.26 -4.89 115.22 130.20 1q39 n HIS 231 Ca 0.14 0.24 -0.07 0.00 -0.26 0.00 0.00 57.72 57.76 1q39 n HIS 231 Cb 0.45 -4.02 0.07 0.00 1.12 0.00 0.00 29.99 27.60 1q39 n HIS 231 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1q39 n ARG 232 N -3.33 2.14 -2.67 -0.41 1.74 -1.14 -5.05 116.66 107.95 1q39 n ARG 232 Ca -0.17 -3.48 -0.43 0.00 -0.77 0.00 0.00 57.85 53.00 1q39 n ARG 232 Cb 0.65 -1.62 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 1q39 n ARG 232 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1q39 s ASP 233 N -3.34 7.03 0.00 0.55 -4.77 -1.26 -2.96 116.67 111.92 1q39 s ASP 233 Ca 0.39 1.26 0.00 0.00 -3.30 0.00 0.00 52.55 50.90 1q39 s ASP 233 Cb 0.37 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.67 1q39 s ASP 233 CO -0.04 -0.73 0.00 0.61 0.70 0.00 0.00 175.17 175.72 1q39 n GLY 234 N 3.52 2.11 3.96 2.12 0.00 -0.34 -4.97 105.19 111.58 1q39 n GLY 234 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1q39 n GLY 234 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q39 s GLU 235 N -0.34 3.37 0.70 1.61 -1.05 -1.16 -4.81 118.70 117.02 1q39 s GLU 235 Ca 0.00 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 1q39 s GLU 235 Cb 0.00 -2.73 0.01 0.00 -0.44 0.00 0.00 34.13 30.97 1q39 s GLU 235 CO 0.00 0.16 1.06 -2.14 0.95 0.00 0.00 175.26 175.29 1q39 s PRO 236 N -4.24 2.90 -0.39 -4.83 0.02 -1.26 -1.94 135.00 125.26 1q39 s PRO 236 Ca 0.40 0.79 -0.19 0.00 0.02 0.00 0.00 61.00 62.03 1q39 s PRO 236 Cb -0.09 -2.00 0.01 0.00 0.02 0.00 0.00 34.50 32.44 1q39 s PRO 236 CO 0.34 -1.08 0.54 0.00 -0.33 0.00 0.00 177.00 176.47 1q39 n GLU 238 N 5.88 0.03 0.00 0.00 2.13 -1.26 -0.36 120.64 127.06 1q39 n GLU 238 Ca -0.04 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1q39 n GLU 238 Cb 0.48 -2.41 0.00 0.00 0.27 0.00 0.00 31.44 29.78 1q39 n GLU 238 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1q39 n ARG 239 N -2.52 0.00 -0.01 5.31 0.00 -1.26 -4.80 116.66 113.37 1q39 n ARG 239 Ca 0.04 0.30 0.08 0.00 -0.00 0.00 0.00 57.85 58.27 1q39 n ARG 239 Cb 1.04 -0.79 -0.14 0.00 0.00 0.00 0.00 32.46 32.57 1q39 n ARG 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q39 n GLY 241 N 1.51 0.53 3.77 0.00 0.00 0.52 -4.93 105.19 106.58 1q39 n GLY 241 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1q39 n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q39 s SER 242 N -2.94 5.45 -0.20 1.61 0.01 -1.26 -4.14 113.70 112.23 1q39 s SER 242 Ca 0.00 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.15 1q39 s SER 242 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1q39 s SER 242 CO 0.00 -1.40 1.21 -0.63 0.41 0.00 0.00 173.24 172.83 1q39 s ILE 243 N -1.86 4.36 0.14 1.44 -1.09 -1.26 -1.75 121.20 121.18 1q39 s ILE 243 Ca 0.72 1.64 -0.31 0.00 -2.23 0.00 0.00 60.65 60.47 1q39 s ILE 243 Cb -0.25 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.44 1q39 s ILE 243 CO 0.32 -0.19 1.60 -0.63 -1.23 0.00 0.00 174.94 174.81 1q39 s ILE 244 N 3.52 2.72 0.46 2.92 1.01 -0.82 -4.55 121.20 126.47 1q39 s ILE 244 Ca 0.52 0.44 0.05 0.00 0.00 0.00 0.00 60.65 61.67 1q39 s ILE 244 Cb -0.19 -3.28 0.05 0.00 0.01 0.00 0.00 42.46 39.04 1q39 s ILE 244 CO 0.13 0.02 0.42 -0.62 0.00 0.00 0.00 174.94 174.90 1q39 n GLU 245 N 4.44 0.78 -3.63 2.79 1.02 -0.70 -1.20 120.64 124.14 1q39 n GLU 245 Ca 0.14 -2.75 -0.11 0.00 -0.02 0.00 0.00 57.16 54.42 1q39 n GLU 245 Cb 0.39 0.17 -0.07 0.00 -0.02 0.00 0.00 31.44 31.91 1q39 n GLU 245 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1q39 s LYS 246 N -3.94 0.65 0.51 3.49 -2.85 -1.26 -2.70 119.74 113.65 1q39 s LYS 246 Ca 0.32 0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 55.90 1q39 s LYS 246 Cb -0.03 0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.98 1q39 s LYS 246 CO 0.20 -0.08 1.03 0.95 0.10 0.00 0.00 175.35 177.55 1q39 s THR 247 N 0.37 3.94 0.00 3.79 -4.23 -0.98 -4.94 115.64 113.59 1q39 s THR 247 Ca 0.01 1.11 0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1q39 s THR 247 Cb -0.05 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1q39 s THR 247 CO -0.04 -0.36 0.00 0.35 -0.54 0.00 0.00 174.62 174.03 1q39 n THR 248 N -1.25 0.00 -1.18 3.99 -2.24 -1.26 -4.11 114.28 108.23 1q39 n THR 248 Ca 0.09 0.05 -0.16 0.00 -2.27 0.00 0.00 64.05 61.75 1q39 n THR 248 Cb 0.53 -0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 1q39 n THR 248 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1q39 n LEU 249 N -0.91 -1.29 -3.59 3.22 4.32 -1.26 -4.76 117.00 112.73 1q39 n LEU 249 Ca 0.00 -0.56 -0.09 0.00 -0.02 0.00 0.00 56.01 55.34 1q39 n LEU 249 Cb 0.00 -0.45 -0.05 0.00 -1.62 0.00 0.00 43.42 41.30 1q39 n LEU 249 CO 0.00 -1.21 0.85 -0.94 -1.22 0.00 0.00 177.39 174.86 1q39 s SER 250 N 0.00 -0.31 0.00 -1.43 1.04 -1.26 -5.01 113.70 106.73 1q39 s SER 250 Ca 0.94 0.35 0.00 0.00 0.48 0.00 0.00 55.95 57.71 1q39 s SER 250 Cb -0.60 0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.78 1q39 s SER 250 CO 0.40 -0.28 0.23 -1.20 0.98 0.00 0.00 173.24 173.38 1q39 n SER 251 N 0.74 0.00 -4.36 7.02 7.64 -1.26 -4.76 113.62 118.64 1q39 n SER 251 Ca -0.08 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.67 1q39 n SER 251 Cb 0.58 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.65 1q39 n SER 251 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1q39 s ARG 252 N -0.46 3.47 -0.48 1.43 1.81 -1.26 -5.07 118.95 118.39 1q39 s ARG 252 Ca 0.00 -0.58 -0.45 0.00 -1.72 0.00 0.00 55.73 52.99 1q39 s ARG 252 Cb 0.00 -3.14 -0.19 0.00 -0.45 0.00 0.00 34.95 31.17 1q39 s ARG 252 CO 0.00 -0.20 1.89 -2.30 -0.68 0.00 0.00 175.30 174.01 1q39 n PRO 253 N 4.85 0.10 -2.66 3.54 -0.02 -1.26 -4.91 135.00 134.63 1q39 n PRO 253 Ca -0.17 0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 1q39 n PRO 253 Cb 0.51 -1.57 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 1q39 n PRO 253 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1q39 s PHE 254 N 4.64 3.44 -0.01 6.00 5.36 -1.26 -4.92 117.98 131.23 1q39 s PHE 254 Ca 1.12 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 58.39 1q39 s PHE 254 Cb -1.45 -2.65 0.01 0.00 -0.34 0.00 0.00 43.02 38.59 1q39 s PHE 254 CO 0.72 -0.21 0.00 0.71 -1.46 0.00 0.00 175.22 174.98 1q39 s TYR 255 N -2.44 0.09 0.19 10.12 1.51 -1.26 -2.32 117.35 123.23 1q39 s TYR 255 Ca 0.56 0.02 -0.24 0.00 -1.01 0.00 0.00 57.07 56.40 1q39 s TYR 255 Cb -0.10 -0.13 0.05 0.00 -0.11 0.00 0.00 41.96 41.67 1q39 s TYR 255 CO 0.29 -0.04 0.91 1.67 -1.11 0.00 0.00 175.55 177.27 1q39 s TRP 256 N 0.35 -0.13 -0.40 2.71 -2.14 -1.10 -4.78 118.94 113.45 1q39 s TRP 256 Ca -0.03 -0.22 -0.08 0.00 2.66 0.00 0.00 56.10 58.43 1q39 s TRP 256 Cb -0.05 0.66 0.07 0.00 -3.10 0.00 0.00 33.47 31.06 1q39 s TRP 256 CO -0.01 -0.93 0.22 0.00 -2.66 0.00 0.00 176.95 173.56 1q39 n PRO 258 N 4.86 0.03 0.01 0.00 -0.04 -1.26 -1.87 135.00 136.72 1q39 n PRO 258 Ca -0.10 0.49 -0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1q39 n PRO 258 Cb 0.43 -1.66 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1q39 n PRO 258 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1q39 h GLY 259 N 0.00 -0.14 -1.39 0.55 0.00 -1.91 -3.41 103.07 96.77 1q39 h GLY 259 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1q39 h GLY 259 CO 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.49 1q39 s GLN 261 N -1.01 3.37 0.00 0.00 -0.21 -0.78 -4.68 119.66 116.35 1q39 s GLN 261 Ca 0.25 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1q39 s GLN 261 Cb 0.13 -2.71 0.00 0.00 1.00 0.00 0.00 33.01 31.43 1q39 s GLN 261 CO 0.18 0.11 0.00 -2.39 -2.12 0.00 0.00 175.29 171.06