#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9c n PRO 7 N 0.00 0.19 -3.85 1.96 -0.02 -1.26 -4.99 135.00 127.03 1q9c n PRO 7 Ca 0.00 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.23 1q9c n PRO 7 Cb 0.00 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 31.64 1q9c n PRO 7 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1q9c s TYR 8 N -1.99 3.31 -0.61 6.00 5.04 -1.26 -5.05 117.35 122.79 1q9c s TYR 8 Ca 0.62 0.17 -0.19 0.00 -2.44 0.00 0.00 57.07 55.24 1q9c s TYR 8 Cb -0.33 -2.14 0.10 0.00 0.35 0.00 0.00 41.96 39.95 1q9c s TYR 8 CO 0.61 0.18 0.74 -1.21 -1.34 0.00 0.00 175.55 174.52 1q9c s GLU 9 N 0.49 3.07 0.29 4.97 2.02 -1.26 -4.89 118.70 123.39 1q9c s GLU 9 Ca 0.06 -1.32 0.20 0.00 0.02 0.00 0.00 54.97 53.92 1q9c s GLU 9 Cb -0.12 -4.29 1.06 0.00 0.10 0.00 0.00 34.13 30.88 1q9c s GLU 9 CO 0.00 -1.57 1.61 1.19 0.02 0.00 0.00 175.26 176.51 1q9c n PHE 10 N 6.39 0.68 -1.59 1.61 3.01 -1.26 -2.82 117.46 123.48 1q9c n PHE 10 Ca -0.08 0.34 0.06 0.00 1.01 0.00 0.00 57.45 58.79 1q9c n PHE 10 Cb 0.43 -1.05 0.16 0.00 -0.01 0.00 0.00 39.48 39.00 1q9c n PHE 10 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1q9c n PHE 11 N -2.19 0.00 -2.44 1.38 0.99 -1.26 -2.98 117.46 110.96 1q9c n PHE 11 Ca -0.01 -1.17 -0.36 0.00 -0.00 0.00 0.00 57.45 55.91 1q9c n PHE 11 Cb 0.05 -0.20 -0.03 0.00 -1.00 0.00 0.00 39.48 38.30 1q9c n PHE 11 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1q9c s SER 12 N -2.88 6.39 0.66 4.37 0.01 -1.13 -4.33 113.70 116.79 1q9c s SER 12 Ca 0.34 2.10 0.14 0.00 1.31 0.00 0.00 55.95 59.83 1q9c s SER 12 Cb 0.33 -2.58 0.72 0.00 0.21 0.00 0.00 66.02 64.69 1q9c s SER 12 CO -0.05 -0.75 1.40 -0.33 0.41 0.00 0.00 173.24 173.91 1q9c h GLU 13 N 2.01 0.00 0.12 12.44 5.08 -1.96 1.45 114.58 133.71 1q9c h GLU 13 Ca -0.49 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.53 1q9c h GLU 13 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1q9c h GLU 13 CO 0.60 0.00 -1.84 1.49 -1.00 0.00 0.00 179.01 178.26 1q9c h GLU 14 N 0.00 0.25 0.00 2.33 4.81 -1.95 -3.41 114.58 116.61 1q9c h GLU 14 Ca 0.03 -0.42 -0.29 0.00 -0.13 0.00 0.00 59.36 58.55 1q9c h GLU 14 Cb 1.51 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 31.00 1q9c h GLU 14 CO -0.00 1.20 -1.94 0.09 -0.73 0.00 0.00 179.01 177.63 1q9c n ASN 15 N -3.64 0.49 -0.29 1.04 3.02 0.13 -4.46 115.26 111.56 1q9c n ASN 15 Ca -0.31 0.23 0.06 0.00 -0.03 0.00 0.00 54.58 54.53 1q9c n ASN 15 Cb 1.00 0.47 0.16 0.00 -0.61 0.00 0.00 39.78 40.80 1q9c n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q9c h ALA 16 N 1.10 0.76 0.00 5.41 0.00 0.18 0.56 119.26 127.27 1q9c h ALA 16 Ca -0.36 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1q9c h ALA 16 Cb 2.00 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.34 1q9c h ALA 16 CO 0.05 -0.44 0.01 -2.30 0.00 0.00 0.00 179.25 176.57 1q9c n PRO 17 N -5.46 0.00 -0.04 0.00 -0.02 -1.26 -1.54 135.00 126.69 1q9c n PRO 17 Ca 0.15 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.13 1q9c n PRO 17 Cb 0.51 -1.51 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 1q9c n PRO 17 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1q9c n LYS 18 N -1.48 0.67 -0.03 -0.52 5.02 0.19 -4.74 118.16 117.27 1q9c n LYS 18 Ca 0.00 -0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.18 1q9c n LYS 18 Cb 0.01 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 1q9c n LYS 18 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1q9c n TRP 19 N -2.52 0.00 -1.65 2.13 7.02 -0.79 -4.83 117.44 116.80 1q9c n TRP 19 Ca -0.15 0.00 -0.56 0.00 -1.02 0.00 0.00 57.50 55.77 1q9c n TRP 19 Cb 0.82 -0.24 -0.07 0.00 -2.42 0.00 0.00 31.31 29.40 1q9c n TRP 19 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54 1q9c n ARG 20 N -2.52 1.00 -1.96 -0.99 3.00 -0.59 -0.17 116.66 114.43 1q9c n ARG 20 Ca -0.10 0.36 -0.21 0.00 -0.00 0.00 0.00 57.85 57.91 1q9c n ARG 20 Cb 0.63 -2.01 -0.05 0.00 0.00 0.00 0.00 32.46 31.03 1q9c n ARG 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1q9c n GLY 21 N 3.35 0.85 0.08 5.14 0.00 -1.26 -4.87 105.19 108.48 1q9c n GLY 21 Ca 0.23 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 1q9c n GLY 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1q9c h LEU 22 N 0.00 0.10 0.00 0.99 5.85 -0.88 -3.37 115.31 118.00 1q9c h LEU 22 Ca -0.46 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.05 1q9c h LEU 22 Cb 1.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1q9c h LEU 22 CO 0.60 1.10 -2.00 0.18 -0.34 0.00 0.00 178.44 177.99 1q9c n LEU 23 N -3.31 0.00 -0.33 2.25 4.77 -1.26 -4.57 117.00 114.55 1q9c n LEU 23 Ca -0.07 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.95 1q9c n LEU 23 Cb 0.99 0.12 0.13 0.00 -2.33 0.00 0.00 43.42 42.33 1q9c n LEU 23 CO 0.48 0.12 0.68 0.58 -1.33 0.00 0.00 177.39 177.92 1q9c h VAL 24 N 0.00 0.08 -0.05 4.08 2.07 -1.85 0.24 116.25 120.82 1q9c h VAL 24 Ca -0.13 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1q9c h VAL 24 Cb 1.23 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1q9c h VAL 24 CO 0.01 0.00 -0.47 -0.65 0.02 0.00 0.00 177.57 176.48 1q9c h PRO 25 N 0.00 -0.56 -0.71 1.57 0.11 -1.80 0.20 132.00 130.80 1q9c h PRO 25 Ca 0.45 0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.55 1q9c h PRO 25 Cb 0.68 0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.89 1q9c h PRO 25 CO -0.94 -0.38 0.25 0.00 -0.21 0.00 0.00 178.00 176.72 1q9c h ALA 26 N -0.13 0.92 -0.57 -0.75 0.00 -1.51 -2.20 119.26 115.02 1q9c h ALA 26 Ca 0.04 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1q9c h ALA 26 Cb 0.67 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1q9c h ALA 26 CO -0.37 0.57 0.38 -0.07 0.00 0.00 0.00 179.25 179.77 1q9c h LEU 27 N 1.03 0.39 -0.37 0.00 3.38 -0.04 0.24 115.31 119.93 1q9c h LEU 27 Ca 0.23 0.01 -0.19 0.00 0.09 0.00 0.00 57.88 58.02 1q9c h LEU 27 Cb 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1q9c h LEU 27 CO -0.01 0.24 -0.80 0.50 0.09 0.00 0.00 178.44 178.46 1q9c h LYS 28 N 0.44 0.28 -0.09 1.13 3.64 -0.48 -2.43 116.57 119.05 1q9c h LYS 28 Ca 0.26 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1q9c h LYS 28 Cb 0.44 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1q9c h LYS 28 CO -0.07 0.94 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.45 1q9c h LYS 29 N 0.18 0.19 0.02 1.90 3.64 -0.14 -2.99 116.57 119.37 1q9c h LYS 29 Ca -0.04 -0.08 -0.21 0.00 -1.27 0.00 0.00 60.65 59.05 1q9c h LYS 29 Cb 1.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 1q9c h LYS 29 CO 0.13 0.55 -0.95 0.28 -2.27 0.00 0.00 179.45 177.19 1q9c h VAL 30 N 0.17 1.53 0.00 2.00 2.07 -0.55 -3.03 116.25 118.43 1q9c h VAL 30 Ca 0.02 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1q9c h VAL 30 Cb 0.75 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1q9c h VAL 30 CO 0.06 0.81 0.00 1.67 0.02 0.00 0.00 177.57 180.13 1q9c n GLN 31 N -3.60 0.46 -0.04 1.57 7.27 -0.93 -1.83 117.38 120.28 1q9c n GLN 31 Ca -0.04 0.05 -0.13 0.00 0.07 0.00 0.00 57.00 56.95 1q9c n GLN 31 Cb 0.86 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.87 1q9c n GLN 31 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1q9c n GLY 32 N 0.31 -0.82 0.13 1.69 0.00 -1.15 -2.72 105.19 102.63 1q9c n GLY 32 Ca 0.12 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1q9c n GLY 32 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1q9c h GLN 33 N 0.02 0.38 0.76 1.61 4.20 -1.49 -3.12 115.11 117.47 1q9c h GLN 33 Ca -0.41 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 57.87 1q9c h GLN 33 Cb 2.06 0.11 0.01 0.00 0.30 0.00 0.00 27.48 29.95 1q9c h GLN 33 CO 0.05 1.07 -0.36 0.28 -0.67 0.00 0.00 178.83 179.19 1q9c h VAL 34 N -0.16 0.04 -3.15 -0.54 2.07 -1.54 -3.41 116.25 109.57 1q9c h VAL 34 Ca -0.06 -0.24 -0.61 0.00 0.82 0.00 0.00 66.70 66.61 1q9c h VAL 34 Cb 1.25 0.06 -0.40 0.00 -1.52 0.00 0.00 31.29 30.67 1q9c h VAL 34 CO 0.11 0.01 -0.74 -1.00 0.02 0.00 0.00 177.57 175.96 1q9c s HIS 35 N -4.99 2.10 0.31 1.57 3.76 -1.10 -4.99 115.29 111.94 1q9c s HIS 35 Ca -0.15 -2.22 0.00 0.00 -0.15 0.00 0.00 55.06 52.54 1q9c s HIS 35 Cb 0.02 -1.96 0.50 0.00 1.11 0.00 0.00 32.58 32.25 1q9c s HIS 35 CO 0.47 -0.84 1.91 -1.35 -0.85 0.00 0.00 174.74 174.08 1q9c h PRO 36 N 7.40 0.84 0.01 8.40 0.11 -1.73 -3.06 132.00 143.97 1q9c h PRO 36 Ca -0.07 -0.11 -0.20 0.00 0.11 0.00 0.00 66.00 65.72 1q9c h PRO 36 Cb 0.97 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1q9c h PRO 36 CO 0.49 0.67 -0.90 1.15 -0.21 0.00 0.00 178.00 179.19 1q9c h THR 37 N 0.84 1.48 -3.60 -1.15 2.02 -1.91 -3.45 112.91 107.13 1q9c h THR 37 Ca 0.20 -2.61 -0.51 0.00 0.77 0.00 0.00 66.41 64.27 1q9c h THR 37 Cb 0.11 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 1q9c h THR 37 CO -0.02 0.76 0.35 -0.76 0.37 0.00 0.00 175.52 176.22 1q9c s LEU 38 N -7.47 4.53 0.77 2.58 1.02 -1.16 -5.01 118.68 113.94 1q9c s LEU 38 Ca -0.03 1.81 -0.08 0.00 0.02 0.00 0.00 54.13 55.85 1q9c s LEU 38 Cb 0.10 -3.57 0.10 0.00 0.02 0.00 0.00 46.19 42.84 1q9c s LEU 38 CO 0.84 -0.01 1.08 -1.61 0.02 0.00 0.00 176.35 176.67 1q9c s GLU 39 N -0.26 1.75 -0.00 1.70 2.02 -1.22 -4.90 118.70 117.77 1q9c s GLU 39 Ca 0.45 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 55.04 1q9c s GLU 39 Cb -0.24 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 1q9c s GLU 39 CO 0.30 -1.55 -0.16 -1.54 0.02 0.00 0.00 175.26 172.33 1q9c s SER 40 N -4.64 1.87 -0.29 -0.19 1.04 -1.26 -3.17 113.70 107.06 1q9c s SER 40 Ca 0.64 -0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 1q9c s SER 40 Cb -0.08 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1q9c s SER 40 CO 0.47 0.18 0.19 0.20 0.98 0.00 0.00 173.24 175.25 1q9c s ASN 41 N -0.48 5.89 0.58 7.02 -0.87 -1.25 -4.94 114.94 120.88 1q9c s ASN 41 Ca 0.06 -0.19 0.29 0.00 -1.57 0.00 0.00 52.86 51.45 1q9c s ASN 41 Cb -0.06 -2.09 1.46 0.00 -0.02 0.00 0.00 41.25 40.53 1q9c s ASN 41 CO -0.00 -0.11 1.87 0.44 -2.57 0.00 0.00 177.10 176.73 1q9c h ASP 42 N 8.38 0.00 -0.10 -1.22 3.45 -1.97 0.64 116.42 125.60 1q9c h ASP 42 Ca -0.34 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.08 1q9c h ASP 42 Cb 1.18 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1q9c h ASP 42 CO 0.58 0.00 -0.09 -0.78 -1.57 0.00 0.00 179.24 177.38 1q9c h ASP 43 N 0.00 0.25 -0.08 6.45 3.58 -1.97 -2.04 116.42 122.61 1q9c h ASP 43 Ca 0.25 -0.48 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 1q9c h ASP 43 Cb 1.31 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1q9c h ASP 43 CO -0.00 0.68 -0.16 0.00 -2.88 0.00 0.00 179.24 176.88 1q9c h ALA 44 N 0.58 0.13 -0.37 -0.78 0.00 -0.66 -2.96 119.26 115.21 1q9c h ALA 44 Ca 0.02 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1q9c h ALA 44 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1q9c h ALA 44 CO 0.02 0.04 0.29 -0.07 0.00 0.00 0.00 179.25 179.53 1q9c h LEU 45 N -0.22 0.00 -0.15 0.00 -0.00 -0.03 0.25 115.31 115.16 1q9c h LEU 45 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1q9c h LEU 45 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 1q9c h LEU 45 CO 0.03 0.00 -0.40 -0.61 -0.00 0.00 0.00 178.44 177.47 1q9c h GLN 46 N 0.00 0.00 -0.15 1.13 4.15 -1.27 -3.17 115.11 115.81 1q9c h GLN 46 Ca 0.17 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.40 1q9c h GLN 46 Cb 0.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1q9c h GLN 46 CO -0.00 0.40 -0.71 -0.92 -1.93 0.00 0.00 178.83 175.67 1q9c h TYR 47 N 0.00 0.84 -0.45 3.99 3.20 -0.35 -3.10 116.97 121.09 1q9c h TYR 47 Ca -0.00 -0.35 0.01 0.00 3.14 0.00 0.00 58.73 61.52 1q9c h TYR 47 Cb 1.25 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1q9c h TYR 47 CO 0.00 1.14 0.29 0.28 -1.64 0.00 0.00 178.16 178.24 1q9c h VAL 48 N 0.44 1.11 -0.71 1.81 2.07 -1.45 -2.27 116.25 117.27 1q9c h VAL 48 Ca -0.03 -0.21 0.14 0.00 0.82 0.00 0.00 66.70 67.43 1q9c h VAL 48 Cb 1.30 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 31.43 1q9c h VAL 48 CO 0.14 0.11 0.21 -0.08 0.02 0.00 0.00 177.57 177.96 1q9c h GLU 49 N 0.60 0.32 -0.05 1.57 4.81 -1.52 0.52 114.58 120.82 1q9c h GLU 49 Ca 0.16 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 1q9c h GLU 49 Cb -0.06 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1q9c h GLU 49 CO -0.04 0.21 -0.11 0.93 -0.73 0.00 0.00 179.01 179.28 1q9c h GLU 50 N 0.33 -0.15 0.43 1.92 5.08 -1.35 0.65 114.58 121.49 1q9c h GLU 50 Ca 0.39 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1q9c h GLU 50 Cb 0.61 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1q9c h GLU 50 CO -0.44 -0.10 -0.21 -0.07 -1.00 0.00 0.00 179.01 177.19 1q9c h LEU 51 N -0.16 -0.49 -0.88 1.33 3.38 -0.82 0.29 115.31 117.96 1q9c h LEU 51 Ca 0.06 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1q9c h LEU 51 Cb 0.24 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 1q9c h LEU 51 CO -0.15 -0.32 0.52 0.40 0.09 0.00 0.00 178.44 178.99 1q9c h ILE 52 N -0.63 0.90 -0.32 1.22 1.08 0.20 0.29 117.51 120.27 1q9c h ILE 52 Ca -0.06 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.02 1q9c h ILE 52 Cb 0.47 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1q9c h ILE 52 CO 0.10 0.15 -0.20 -0.07 -0.69 0.00 0.00 178.15 177.44 1q9c h LEU 53 N 0.84 0.72 -2.15 1.44 3.38 0.53 0.04 115.31 120.11 1q9c h LEU 53 Ca 0.43 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1q9c h LEU 53 Cb 0.43 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1q9c h LEU 53 CO -0.26 0.99 0.18 -0.61 0.09 0.00 0.00 178.44 178.83 1q9c h GLN 54 N 0.45 0.00 0.04 1.13 5.75 0.72 0.59 115.11 123.80 1q9c h GLN 54 Ca 0.06 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.44 1q9c h GLN 54 Cb 0.74 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.31 1q9c h GLN 54 CO 0.06 0.00 -0.50 1.25 -2.65 0.00 0.00 178.83 176.98 1q9c h LEU 55 N 0.00 0.37 -1.97 -2.39 5.85 -0.31 -3.17 115.31 113.69 1q9c h LEU 55 Ca 0.10 -0.85 0.14 0.00 0.84 0.00 0.00 57.88 58.10 1q9c h LEU 55 Cb 0.46 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1q9c h LEU 55 CO -0.00 1.18 0.47 0.25 -0.34 0.00 0.00 178.44 179.99 1q9c h LEU 56 N -0.40 0.00 -3.13 2.25 5.85 0.10 -2.37 115.31 117.61 1q9c h LEU 56 Ca -0.08 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.54 1q9c h LEU 56 Cb 1.30 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.28 1q9c h LEU 56 CO 0.10 0.00 0.14 -3.20 -0.34 0.00 0.00 178.44 175.14 1q9c n ASN 57 N -3.82 5.65 0.00 1.25 5.15 -0.60 -2.85 115.26 120.04 1q9c n ASN 57 Ca 0.09 -2.62 0.00 0.00 -0.60 0.00 0.00 54.58 51.45 1q9c n ASN 57 Cb 0.66 -1.09 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1q9c n ASN 57 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1q9c n LEU 59 N 1.09 0.00 0.20 1.20 4.77 -0.89 -1.54 117.00 121.83 1q9c n LEU 59 Ca 0.10 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.13 1q9c n LEU 59 Cb 0.53 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.05 1q9c n LEU 59 CO 0.13 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 176.96 1q9c h GLN 61 N 0.00 0.00 -0.07 0.00 4.20 -1.59 0.39 115.11 118.05 1q9c h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1q9c h GLN 61 Cb 0.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1q9c h GLN 61 CO 0.04 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.20 1q9c n ALA 62 N -2.24 2.57 -3.97 3.87 0.00 -0.97 -4.93 120.51 114.84 1q9c n ALA 62 Ca -0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1q9c n ALA 62 Cb 0.14 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 1q9c n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1q9c n GLN 63 N -0.37 -1.40 -1.96 0.00 6.02 0.14 -4.86 117.38 114.95 1q9c n GLN 63 Ca 0.13 0.27 -0.42 0.00 -0.01 0.00 0.00 57.00 56.98 1q9c n GLN 63 Cb 0.15 -3.66 -0.03 0.00 1.02 0.00 0.00 30.24 27.73 1q9c n GLN 63 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1q9c s PRO 64 N -6.78 4.23 -0.10 -1.09 0.02 -1.26 -4.91 135.00 125.10 1q9c s PRO 64 Ca 0.29 2.35 0.15 0.00 0.02 0.00 0.00 61.00 63.81 1q9c s PRO 64 Cb -0.13 -3.13 0.23 0.00 0.02 0.00 0.00 34.50 31.49 1q9c s PRO 64 CO 0.92 -0.53 1.11 0.54 -0.33 0.00 0.00 177.00 178.71 1q9c n ARG 65 N 3.21 1.23 -3.56 5.54 1.74 -1.26 -5.02 116.66 118.54 1q9c n ARG 65 Ca 0.11 -2.29 -0.06 0.00 -0.77 0.00 0.00 57.85 54.83 1q9c n ARG 65 Cb 0.39 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.47 1q9c n ARG 65 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1q9c s SER 66 N -2.49 -0.23 0.19 0.55 1.04 -1.26 -4.90 113.70 106.60 1q9c s SER 66 Ca 0.26 0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.59 1q9c s SER 66 Cb 0.22 0.23 0.21 0.00 0.10 0.00 0.00 66.02 66.79 1q9c s SER 66 CO 0.02 -0.37 1.72 0.00 0.98 0.00 0.00 173.24 175.59 1q9c h ALA 67 N 2.04 0.59 -0.28 5.32 0.00 -1.92 -2.09 119.26 122.92 1q9c h ALA 67 Ca -0.14 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1q9c h ALA 67 Cb 1.19 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1q9c h ALA 67 CO 0.26 -0.30 0.18 1.03 0.00 0.00 0.00 179.25 180.43 1q9c h SER 68 N 0.25 0.32 -1.03 0.00 0.87 -1.99 -2.66 113.55 109.31 1q9c h SER 68 Ca 0.26 -0.01 0.29 0.00 -1.23 0.00 0.00 61.79 61.10 1q9c h SER 68 Cb 0.35 -0.08 -0.13 0.00 -0.44 0.00 0.00 62.40 62.10 1q9c h SER 68 CO -0.33 0.23 0.61 0.44 -0.53 0.00 0.00 176.83 177.25 1q9c h ASP 69 N 0.37 0.56 -0.06 6.23 3.32 -1.77 0.33 116.42 125.41 1q9c h ASP 69 Ca 0.10 0.15 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1q9c h ASP 69 Cb -0.04 0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.59 1q9c h ASP 69 CO -0.02 -0.01 -0.45 0.58 -1.72 0.00 0.00 179.24 177.62 1q9c h VAL 70 N 0.43 1.41 -0.68 -1.35 2.07 -1.34 -2.63 116.25 114.16 1q9c h VAL 70 Ca 0.68 -1.86 0.14 0.00 0.82 0.00 0.00 66.70 66.48 1q9c h VAL 70 Cb 1.52 2.37 -0.10 0.00 -1.52 0.00 0.00 31.29 33.56 1q9c h VAL 70 CO -0.50 0.54 0.13 -0.08 0.02 0.00 0.00 177.57 177.69 1q9c h GLU 71 N -0.07 0.23 -0.38 1.57 4.81 -0.66 0.14 114.58 120.22 1q9c h GLU 71 Ca -0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1q9c h GLU 71 Cb 1.12 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1q9c h GLU 71 CO 0.09 0.16 0.16 1.49 -0.73 0.00 0.00 179.01 180.18 1q9c h GLU 72 N 0.24 0.57 -0.96 1.92 4.81 -1.32 -0.21 114.58 119.63 1q9c h GLU 72 Ca 0.37 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1q9c h GLU 72 Cb 0.60 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 1q9c h GLU 72 CO -0.48 0.53 0.61 -0.09 -0.73 0.00 0.00 179.01 178.85 1q9c h ARG 73 N 0.47 1.04 -0.25 1.92 9.65 -0.55 -1.59 114.38 125.07 1q9c h ARG 73 Ca 0.13 -0.06 -0.12 0.00 -1.10 0.00 0.00 59.98 58.83 1q9c h ARG 73 Cb 0.17 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.51 1q9c h ARG 73 CO -0.01 0.69 -0.31 0.28 2.80 0.00 0.00 179.97 183.42 1q9c h VAL 74 N 1.07 1.31 0.00 0.20 2.07 -0.54 -2.46 116.25 117.91 1q9c h VAL 74 Ca 0.43 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1q9c h VAL 74 Cb 0.24 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1q9c h VAL 74 CO -0.20 0.47 0.00 1.67 0.02 0.00 0.00 177.57 179.54 1q9c n GLN 75 N -4.28 0.13 -0.03 1.57 -0.06 -0.11 -1.70 117.38 112.89 1q9c n GLN 75 Ca -0.05 0.16 -0.03 0.00 -2.00 0.00 0.00 57.00 55.09 1q9c n GLN 75 Cb 0.48 -1.50 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 1q9c n GLN 75 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1q9c n LYS 76 N -1.21 2.73 -0.14 3.69 5.02 -0.81 -4.84 118.16 122.60 1q9c n LYS 76 Ca 0.04 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 1q9c n LYS 76 Cb 0.04 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1q9c n LYS 76 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1q9c n SER 77 N -2.20 1.94 -4.68 4.39 3.41 -0.95 -4.96 113.62 110.58 1q9c n SER 77 Ca -0.10 0.27 -0.47 0.00 -0.26 0.00 0.00 58.87 58.31 1q9c n SER 77 Cb 0.67 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 1q9c n SER 77 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1q9c n PHE 78 N -4.10 2.33 -0.60 7.33 3.01 -0.69 -4.96 117.46 119.78 1q9c n PHE 78 Ca -0.53 0.09 -0.28 0.00 1.01 0.00 0.00 57.45 57.73 1q9c n PHE 78 Cb 0.90 -2.62 0.25 0.00 -0.01 0.00 0.00 39.48 37.99 1q9c n PHE 78 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1q9c s PRO 79 N 2.72 -0.85 -0.11 -1.08 0.02 -1.26 -4.16 135.00 130.28 1q9c s PRO 79 Ca 0.86 0.81 -0.18 0.00 0.02 0.00 0.00 61.00 62.51 1q9c s PRO 79 Cb -0.67 -1.56 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1q9c s PRO 79 CO 0.45 -3.67 0.48 -1.58 -0.33 0.00 0.00 177.00 172.35 1q9c s HIS 80 N -2.50 3.53 0.10 6.54 2.46 -1.26 -0.81 115.29 123.34 1q9c s HIS 80 Ca 0.68 0.91 -0.19 0.00 0.47 0.00 0.00 55.06 56.94 1q9c s HIS 80 Cb -0.24 -2.55 -0.07 0.00 -0.13 0.00 0.00 32.58 29.58 1q9c s HIS 80 CO 0.64 0.19 1.60 -1.35 -2.47 0.00 0.00 174.74 173.35 1q9c h PRO 81 N 6.61 0.39 -0.45 2.88 0.11 -1.99 -3.48 132.00 136.07 1q9c h PRO 81 Ca -0.42 -0.09 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1q9c h PRO 81 Cb 1.18 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 1q9c h PRO 81 CO 0.75 0.48 -0.19 -0.89 -0.21 0.00 0.00 178.00 177.94 1q9c n ILE 82 N -4.73 -0.25 -0.18 4.15 5.41 -1.17 -1.28 119.36 121.30 1q9c n ILE 82 Ca -0.03 1.05 -0.11 0.00 1.00 0.00 0.00 62.75 64.66 1q9c n ILE 82 Cb 0.17 -1.37 -0.07 0.00 -0.71 0.00 0.00 39.64 37.66 1q9c n ILE 82 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1q9c h ASP 83 N 0.00 -1.71 0.49 4.38 2.03 -1.13 0.49 116.42 120.97 1q9c h ASP 83 Ca 0.14 0.25 -0.01 0.00 -0.73 0.00 0.00 57.03 56.67 1q9c h ASP 83 Cb 0.25 0.73 -0.01 0.00 -0.83 0.00 0.00 39.33 39.47 1q9c h ASP 83 CO -0.44 -0.36 -0.36 0.50 -1.03 0.00 0.00 179.24 177.55 1q9c h LYS 84 N -0.30 -0.80 -0.47 4.15 3.64 -1.47 -1.34 116.57 119.98 1q9c h LYS 84 Ca 0.13 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1q9c h LYS 84 Cb 0.57 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1q9c h LYS 84 CO -0.65 -0.53 0.09 -1.49 -2.27 0.00 0.00 179.45 174.59 1q9c h TRP 85 N -0.83 0.15 0.29 1.91 -0.00 -1.20 -1.39 115.95 114.87 1q9c h TRP 85 Ca -0.05 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 58.86 1q9c h TRP 85 Cb 0.70 0.01 -0.01 0.00 -0.00 0.00 0.00 29.16 29.86 1q9c h TRP 85 CO -0.14 -0.00 -0.21 0.00 -0.00 0.00 0.00 178.44 178.09 1q9c h ALA 86 N 1.36 -0.49 -0.60 1.49 0.00 0.11 -1.60 119.26 119.53 1q9c h ALA 86 Ca 0.23 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1q9c h ALA 86 Cb 0.30 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1q9c h ALA 86 CO -0.30 -0.79 0.29 0.82 0.00 0.00 0.00 179.25 179.26 1q9c h ILE 87 N -0.50 0.89 -0.55 0.00 2.04 -0.99 0.30 117.51 118.71 1q9c h ILE 87 Ca -0.02 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1q9c h ILE 87 Cb 0.43 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 1q9c h ILE 87 CO 0.00 0.10 0.30 0.00 0.00 0.00 0.00 178.15 178.55 1q9c h ALA 88 N 1.35 0.71 -0.05 1.87 0.00 -1.07 -0.67 119.26 121.40 1q9c h ALA 88 Ca 0.28 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1q9c h ALA 88 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q9c h ALA 88 CO -0.22 -0.02 -0.43 0.22 0.00 0.00 0.00 179.25 178.80 1q9c h ASP 89 N 0.58 0.11 -0.10 0.00 -0.00 -0.41 -2.31 116.42 114.29 1q9c h ASP 89 Ca 0.23 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.21 1q9c h ASP 89 Cb 0.10 -0.03 -0.00 0.00 -0.00 0.00 0.00 39.33 39.40 1q9c h ASP 89 CO -0.14 0.53 0.02 0.00 -0.00 0.00 0.00 179.24 179.65 1q9c h ALA 90 N 1.48 0.13 -0.47 -0.78 0.00 0.84 -3.02 119.26 117.44 1q9c h ALA 90 Ca 0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1q9c h ALA 90 Cb 0.80 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1q9c h ALA 90 CO 0.06 -0.22 0.04 1.96 0.00 0.00 0.00 179.25 181.08 1q9c h GLN 91 N -0.06 0.80 0.00 0.00 4.20 -1.12 -2.19 115.11 116.74 1q9c h GLN 91 Ca 0.03 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1q9c h GLN 91 Cb 0.27 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1q9c h GLN 91 CO 0.00 0.83 0.07 0.45 -0.67 0.00 0.00 178.83 179.52 1q9c n SER 92 N -4.40 0.07 -0.08 1.46 2.88 -0.88 -0.88 113.62 111.79 1q9c n SER 92 Ca 0.01 0.47 -0.10 0.00 -1.33 0.00 0.00 58.87 57.91 1q9c n SER 92 Cb 0.28 -0.47 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 1q9c n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1q9c n ALA 93 N -1.47 1.48 0.45 -1.46 0.00 -0.83 -3.22 120.51 115.46 1q9c n ALA 93 Ca -0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 53.44 52.29 1q9c n ALA 93 Cb 0.08 -0.38 0.10 0.00 0.00 0.00 0.00 19.45 19.25 1q9c n ALA 93 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1q9c n ILE 94 N -2.88 0.98 0.00 0.00 -5.35 -0.06 -3.12 119.36 108.93 1q9c n ILE 94 Ca -0.29 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1q9c n ILE 94 Cb 1.12 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1q9c n ILE 94 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1q9c n GLU 95 N 0.14 3.68 -3.11 6.28 1.02 -1.21 -5.09 120.64 122.35 1q9c n GLU 95 Ca 0.10 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.13 1q9c n GLU 95 Cb 0.59 -0.47 0.01 0.00 -0.02 0.00 0.00 31.44 31.56 1q9c n GLU 95 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1q9c n LYS 96 N -0.17 -1.78 -0.08 3.49 4.81 -1.18 -5.13 118.16 118.11 1q9c n LYS 96 Ca 0.00 1.62 0.07 0.00 -0.87 0.00 0.00 58.31 59.13 1q9c n LYS 96 Cb 0.00 -3.02 0.11 0.00 0.02 0.00 0.00 35.03 32.14 1q9c n LYS 96 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1q9c n ARG 97 N 0.53 1.65 -4.29 1.64 1.85 -1.25 -5.09 116.66 111.70 1q9c n ARG 97 Ca -0.00 -1.64 -0.16 0.00 -1.00 0.00 0.00 57.85 55.05 1q9c n ARG 97 Cb 0.42 -1.28 -0.10 0.00 -1.05 0.00 0.00 32.46 30.45 1q9c n ARG 97 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1q9c s PRO 102 N -1.07 1.38 0.95 2.89 0.02 -1.26 -5.12 135.00 132.79 1q9c s PRO 102 Ca 0.21 -1.75 -0.11 0.00 0.02 0.00 0.00 61.00 59.37 1q9c s PRO 102 Cb 0.13 -0.10 0.13 0.00 0.02 0.00 0.00 34.50 34.68 1q9c s PRO 102 CO 0.18 -0.34 0.93 -0.11 -0.33 0.00 0.00 177.00 177.32 1q9c n LEU 103 N -0.43 2.06 -0.02 -5.54 7.94 -1.26 -5.00 117.00 114.75 1q9c n LEU 103 Ca 0.01 0.35 -0.03 0.00 -1.11 0.00 0.00 56.01 55.24 1q9c n LEU 103 Cb 0.66 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.20 1q9c n LEU 103 CO 0.36 -2.62 -0.64 -1.20 -1.11 0.00 0.00 177.39 172.18 1q9c n SER 104 N -3.51 3.84 -4.78 1.96 7.64 -1.26 -5.05 113.62 112.46 1q9c n SER 104 Ca 0.10 -0.01 -0.35 0.00 1.01 0.00 0.00 58.87 59.62 1q9c n SER 104 Cb 0.53 0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 63.93 1q9c n SER 104 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q9c s LEU 105 N -4.84 3.75 -0.12 -3.43 1.02 -1.26 -4.73 118.68 109.08 1q9c s LEU 105 Ca -0.04 2.10 -0.10 0.00 0.02 0.00 0.00 54.13 56.11 1q9c s LEU 105 Cb 0.01 -4.57 -0.11 0.00 0.02 0.00 0.00 46.19 41.54 1q9c s LEU 105 CO 0.12 -1.12 1.29 -2.65 0.02 0.00 0.00 176.35 174.02 1q9c n PRO 106 N -1.28 0.25 -0.34 1.29 -0.02 -1.26 -4.67 135.00 128.98 1q9c n PRO 106 Ca 0.11 -0.77 0.11 0.00 -2.02 0.00 0.00 63.50 60.93 1q9c n PRO 106 Cb 0.51 -2.21 0.32 0.00 -0.02 0.00 0.00 33.50 32.10 1q9c n PRO 106 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1q9c h VAL 107 N 4.23 0.79 -0.33 -1.45 3.04 -1.98 0.23 116.25 120.79 1q9c h VAL 107 Ca 0.13 -0.28 -0.13 0.00 -1.01 0.00 0.00 66.70 65.41 1q9c h VAL 107 Cb 0.23 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.42 1q9c h VAL 107 CO 1.36 0.15 -0.30 -0.33 -1.01 0.00 0.00 177.57 177.43 1q9c h GLU 108 N 0.81 0.79 -0.25 4.17 4.39 -2.00 -1.79 114.58 120.70 1q9c h GLU 108 Ca 0.53 -0.40 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1q9c h GLU 108 Cb 0.76 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1q9c h GLU 108 CO -0.30 1.03 -0.58 0.87 -1.16 0.00 0.00 179.01 178.87 1q9c h LYS 109 N 0.56 0.79 -0.07 2.33 1.57 -1.72 -3.29 116.57 116.74 1q9c h LYS 109 Ca 0.06 -0.52 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1q9c h LYS 109 Cb 0.88 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1q9c h LYS 109 CO 0.08 1.15 0.02 0.82 -0.57 0.00 0.00 179.45 180.95 1q9c h ILE 110 N 0.59 1.15 -0.83 1.86 2.04 -0.57 -3.27 117.51 118.48 1q9c h ILE 110 Ca 0.00 -0.45 0.10 0.00 1.00 0.00 0.00 64.86 65.51 1q9c h ILE 110 Cb 1.18 1.33 -0.11 0.00 -0.74 0.00 0.00 36.82 38.48 1q9c h ILE 110 CO 0.12 0.13 -0.43 1.57 0.00 0.00 0.00 178.15 179.55 1q9c n HIS 111 N -4.94 -0.21 0.39 1.37 -0.00 -0.67 0.13 115.22 111.28 1q9c n HIS 111 Ca -0.06 1.03 -0.18 0.00 0.46 0.00 0.00 57.72 58.97 1q9c n HIS 111 Cb 0.12 -0.66 -0.09 0.00 -0.12 0.00 0.00 29.99 29.24 1q9c n HIS 111 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1q9c h PRO 112 N 0.00 -0.96 -0.16 1.57 0.11 -1.71 -1.99 132.00 128.86 1q9c h PRO 112 Ca 0.19 0.07 0.05 0.00 0.11 0.00 0.00 66.00 66.41 1q9c h PRO 112 Cb 0.40 0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1q9c h PRO 112 CO -0.80 -0.64 0.19 -0.07 -0.21 0.00 0.00 178.00 176.47 1q9c h LEU 113 N -1.00 0.00 -0.61 2.35 3.38 -1.31 0.33 115.31 118.44 1q9c h LEU 113 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1q9c h LEU 113 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1q9c h LEU 113 CO 0.13 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.55 1q9c n LEU 114 N -3.74 0.70 -0.62 1.67 7.94 0.35 -2.20 117.00 121.09 1q9c n LEU 114 Ca 0.01 0.66 0.12 0.00 -1.11 0.00 0.00 56.01 55.68 1q9c n LEU 114 Cb 0.30 -0.54 0.10 0.00 0.53 0.00 0.00 43.42 43.81 1q9c n LEU 114 CO 0.27 -0.51 0.48 0.29 -1.11 0.00 0.00 177.39 176.80 1q9c n LYS 115 N -2.25 1.57 0.05 1.96 5.02 0.11 -3.89 118.16 120.73 1q9c n LYS 115 Ca 0.03 -1.26 0.12 0.00 -2.02 0.00 0.00 58.31 55.18 1q9c n LYS 115 Cb 0.26 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.94 1q9c n LYS 115 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1q9c n GLU 116 N 0.38 0.26 -0.08 1.97 1.02 -0.93 -3.22 120.64 120.04 1q9c n GLU 116 Ca 0.12 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1q9c n GLU 116 Cb 0.49 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 1q9c n GLU 116 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1q9c n VAL 117 N -2.01 1.50 0.45 2.62 0.31 -1.24 -4.39 118.33 115.57 1q9c n VAL 117 Ca 0.03 -0.74 0.12 0.00 -0.01 0.00 0.00 64.34 63.74 1q9c n VAL 117 Cb 0.43 -0.98 0.16 0.00 -0.91 0.00 0.00 33.84 32.53 1q9c n VAL 117 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1q9c h LEU 118 N 0.01 0.00 0.00 7.52 3.38 -1.72 -3.48 115.31 121.02 1q9c h LEU 118 Ca -0.50 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1q9c h LEU 118 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 1q9c h LEU 118 CO 0.01 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1q9c n GLY 119 N 1.28 2.64 3.40 0.83 0.00 -1.20 -4.97 105.19 107.17 1q9c n GLY 119 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1q9c n GLY 119 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1q9c s TYR 120 N -1.70 1.94 0.39 1.61 -0.85 -1.26 -5.04 117.35 112.44 1q9c s TYR 120 Ca 0.00 -0.49 -0.25 0.00 -0.52 0.00 0.00 57.07 55.80 1q9c s TYR 120 Cb 0.00 -0.89 -0.09 0.00 0.38 0.00 0.00 41.96 41.36 1q9c s TYR 120 CO 0.00 0.49 1.15 0.21 -1.52 0.00 0.00 175.55 175.88 1q9c s LYS 121 N -3.60 4.10 -0.01 -3.49 2.20 -1.26 -4.80 119.74 112.88 1q9c s LYS 121 Ca 0.26 1.81 0.05 0.00 -0.36 0.00 0.00 55.97 57.72 1q9c s LYS 121 Cb -0.02 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1q9c s LYS 121 CO 0.10 -0.27 -0.16 0.42 -0.36 0.00 0.00 175.35 175.09 1q9c s ILE 122 N -1.42 1.24 0.12 5.43 1.01 -1.26 -5.07 121.20 121.24 1q9c s ILE 122 Ca 0.56 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 60.23 1q9c s ILE 122 Cb -0.30 -1.03 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 1q9c s ILE 122 CO 0.38 0.35 1.50 -1.81 0.00 0.00 0.00 174.94 175.36 1q9c s ASP 123 N -0.37 6.70 0.41 3.58 1.01 -1.26 -4.86 116.67 121.88 1q9c s ASP 123 Ca 0.06 2.46 0.27 0.00 0.71 0.00 0.00 52.55 56.05 1q9c s ASP 123 Cb -0.06 -2.58 1.39 0.00 1.01 0.00 0.00 42.92 42.68 1q9c s ASP 123 CO -0.01 -0.76 1.60 -0.74 0.21 0.00 0.00 175.17 175.48 1q9c h HIS 124 N 7.06 0.64 -0.95 4.23 -0.00 -2.00 0.54 115.15 124.66 1q9c h HIS 124 Ca -0.42 0.03 0.18 0.00 -0.00 0.00 0.00 60.37 60.16 1q9c h HIS 124 Cb 1.20 -0.15 -0.10 0.00 -0.00 0.00 0.00 27.41 28.36 1q9c h HIS 124 CO 0.68 -0.30 0.54 0.37 -0.00 0.00 0.00 177.93 179.22 1q9c h GLN 125 N 0.06 0.68 0.27 5.26 4.15 -2.00 -1.73 115.11 121.80 1q9c h GLN 125 Ca 0.84 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 60.20 1q9c h GLN 125 Cb 2.48 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 30.02 1q9c h GLN 125 CO -0.54 0.45 -0.13 0.28 -1.93 0.00 0.00 178.83 176.96 1q9c h VAL 126 N 0.70 0.78 -0.53 2.39 2.07 -0.27 -2.37 116.25 119.02 1q9c h VAL 126 Ca 0.54 -0.34 0.11 0.00 0.82 0.00 0.00 66.70 67.83 1q9c h VAL 126 Cb 0.83 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 31.47 1q9c h VAL 126 CO -0.39 0.07 -0.17 0.28 0.02 0.00 0.00 177.57 177.39 1q9c h SER 127 N -0.54 -0.60 -0.39 0.57 0.02 -1.37 0.77 113.55 112.02 1q9c h SER 127 Ca -0.04 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1q9c h SER 127 Cb 0.40 0.37 -0.07 0.00 0.14 0.00 0.00 62.40 63.23 1q9c h SER 127 CO 0.06 -0.20 -0.05 0.58 -1.14 0.00 0.00 176.83 176.08 1q9c h VAL 128 N -0.04 0.66 0.14 2.27 2.07 -1.29 0.18 116.25 120.23 1q9c h VAL 128 Ca 0.25 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1q9c h VAL 128 Cb 0.43 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1q9c h VAL 128 CO -0.57 0.01 -0.32 0.22 0.02 0.00 0.00 177.57 176.94 1q9c h TYR 129 N 0.05 -0.86 0.09 1.57 3.20 -0.45 0.49 116.97 121.06 1q9c h TYR 129 Ca 0.19 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1q9c h TYR 129 Cb 0.28 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1q9c h TYR 129 CO -0.31 -0.42 -0.32 0.82 -1.64 0.00 0.00 178.16 176.29 1q9c h ILE 130 N -0.55 0.32 -0.95 1.81 2.04 -0.28 0.06 117.51 119.95 1q9c h ILE 130 Ca 0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.95 1q9c h ILE 130 Cb 0.57 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 1q9c h ILE 130 CO -0.17 0.00 0.62 0.58 0.00 0.00 0.00 178.15 179.17 1q9c h VAL 131 N -0.53 1.09 -0.73 1.67 2.07 -0.45 0.28 116.25 119.65 1q9c h VAL 131 Ca 0.04 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1q9c h VAL 131 Cb 0.57 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1q9c h VAL 131 CO -0.20 0.20 0.44 0.00 0.02 0.00 0.00 177.57 178.03 1q9c h ALA 132 N 1.48 0.98 -0.22 1.67 0.00 0.96 0.24 119.26 124.38 1q9c h ALA 132 Ca 0.41 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 1q9c h ALA 132 Cb 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1q9c h ALA 132 CO -0.15 0.18 -0.23 0.28 0.00 0.00 0.00 179.25 179.33 1q9c h VAL 133 N 0.84 1.32 -0.76 0.00 2.07 0.46 -2.21 116.25 117.98 1q9c h VAL 133 Ca 0.31 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.50 1q9c h VAL 133 Cb 0.11 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1q9c h VAL 133 CO -0.15 0.43 0.44 -0.07 0.02 0.00 0.00 177.57 178.24 1q9c h LEU 134 N 0.24 0.67 -0.55 2.57 3.38 0.22 -2.09 115.31 119.75 1q9c h LEU 134 Ca 0.03 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1q9c h LEU 134 Cb 0.78 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1q9c h LEU 134 CO 0.06 0.42 -0.26 -0.08 0.09 0.00 0.00 178.44 178.67 1q9c h GLU 135 N 0.80 0.90 0.16 1.13 4.81 -0.50 -2.37 114.58 119.50 1q9c h GLU 135 Ca 0.34 -0.40 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1q9c h GLU 135 Cb 0.20 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1q9c h GLU 135 CO -0.19 1.05 -0.33 -0.92 -0.73 0.00 0.00 179.01 177.89 1q9c h TYR 136 N 0.77 -0.90 -0.53 0.92 3.20 -0.74 0.48 116.97 120.16 1q9c h TYR 136 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1q9c h TYR 136 Cb 0.82 0.38 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 1q9c h TYR 136 CO 0.05 -0.44 0.35 0.82 -1.64 0.00 0.00 178.16 177.30 1q9c h ILE 137 N -0.58 1.07 0.90 1.81 1.08 -1.45 -0.60 117.51 119.74 1q9c h ILE 137 Ca 0.02 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 1q9c h ILE 137 Cb 0.59 0.40 0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1q9c h ILE 137 CO -0.17 0.11 -0.43 0.28 -0.69 0.00 0.00 178.15 177.25 1q9c h SER 138 N 0.61 -1.03 -0.14 1.72 0.02 -0.71 -0.03 113.55 113.99 1q9c h SER 138 Ca 0.21 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1q9c h SER 138 Cb 0.08 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1q9c h SER 138 CO -0.05 -0.72 0.13 0.00 -1.14 0.00 0.00 176.83 175.05 1q9c h ALA 139 N -1.15 1.89 -0.17 3.77 0.00 -0.61 -1.21 119.26 121.79 1q9c h ALA 139 Ca -0.12 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1q9c h ALA 139 Cb 0.93 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1q9c h ALA 139 CO 0.20 -0.21 -0.30 0.22 0.00 0.00 0.00 179.25 179.16 1q9c h ASP 140 N 0.00 0.56 -0.36 0.00 1.82 -0.58 -0.68 116.42 117.19 1q9c h ASP 140 Ca 0.07 -0.54 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1q9c h ASP 140 Cb 0.33 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1q9c h ASP 140 CO -0.00 1.00 0.13 0.40 -1.61 0.00 0.00 179.24 179.16 1q9c h ILE 141 N 0.15 1.20 -0.52 2.25 2.04 0.11 -1.51 117.51 121.24 1q9c h ILE 141 Ca 0.01 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1q9c h ILE 141 Cb 0.89 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1q9c h ILE 141 CO 0.07 0.22 0.24 -0.07 0.00 0.00 0.00 178.15 178.62 1q9c h LEU 142 N 0.44 0.68 -0.35 1.44 3.38 -1.31 0.68 115.31 120.27 1q9c h LEU 142 Ca 0.12 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1q9c h LEU 142 Cb 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1q9c h LEU 142 CO -0.01 0.63 0.08 0.11 0.09 0.00 0.00 178.44 179.34 1q9c h LYS 143 N 0.69 0.20 0.28 1.13 1.57 -0.93 0.27 116.57 119.79 1q9c h LYS 143 Ca 0.18 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1q9c h LYS 143 Cb 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1q9c h LYS 143 CO -0.02 0.13 -0.14 1.25 -0.57 0.00 0.00 179.45 180.10 1q9c h LEU 144 N 0.20 -0.33 -0.57 2.94 5.85 -0.86 -1.79 115.31 120.75 1q9c h LEU 144 Ca 0.16 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1q9c h LEU 144 Cb 0.17 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.18 1q9c h LEU 144 CO -0.20 -0.23 -0.34 0.00 -0.34 0.00 0.00 178.44 177.32 1q9c h ALA 145 N -1.82 -0.08 -0.60 1.25 0.00 -0.82 -0.34 119.26 116.86 1q9c h ALA 145 Ca -0.04 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1q9c h ALA 145 Cb 0.29 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 1q9c h ALA 145 CO 0.06 -0.70 -0.03 0.78 0.00 0.00 0.00 179.25 179.37 1q9c h GLY 146 N -0.18 0.59 1.00 0.00 0.00 -0.47 0.23 103.07 104.24 1q9c h GLY 146 Ca 0.22 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 1q9c h GLY 146 CO -0.67 -0.20 0.34 -0.57 0.00 0.00 0.00 176.54 175.45 1q9c h ASN 147 N 0.09 0.85 -0.54 0.19 -0.73 -0.20 0.14 115.58 115.38 1q9c h ASN 147 Ca 0.31 -0.12 0.02 0.00 1.87 0.00 0.00 56.30 58.38 1q9c h ASN 147 Cb 0.49 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 1q9c h ASN 147 CO -0.53 0.73 0.33 0.22 -0.37 0.00 0.00 177.43 177.81 1q9c h TYR 148 N 0.92 0.61 -0.14 0.67 3.20 0.36 0.15 116.97 122.74 1q9c h TYR 148 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1q9c h TYR 148 Cb 0.08 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1q9c h TYR 148 CO -0.00 0.35 0.09 0.28 -1.64 0.00 0.00 178.16 177.24 1q9c h VAL 149 N 0.65 1.05 0.00 1.81 2.07 0.06 -2.47 116.25 119.43 1q9c h VAL 149 Ca 0.22 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 1q9c h VAL 149 Cb 0.01 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1q9c h VAL 149 CO -0.09 0.05 -0.28 -0.09 0.02 0.00 0.00 177.57 177.18 1q9c h ARG 150 N 0.17 0.00 -0.05 1.57 2.43 -0.36 -1.78 114.38 116.37 1q9c h ARG 150 Ca 0.05 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.99 1q9c h ARG 150 Cb 0.01 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1q9c h ARG 150 CO -0.01 0.28 -0.90 -0.97 -1.51 0.00 0.00 179.97 176.86 1q9c h ASN 151 N 0.00 0.72 -0.29 -3.80 -0.73 -0.39 -3.21 115.58 107.89 1q9c h ASN 151 Ca -0.00 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 57.63 1q9c h ASN 151 Cb 0.63 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1q9c h ASN 151 CO 0.04 1.33 0.00 2.30 -0.37 0.00 0.00 177.43 180.72 1q9c n ILE 152 N -3.83 0.74 -2.70 2.57 -5.35 -0.96 -4.91 119.36 104.92 1q9c n ILE 152 Ca -0.08 -0.49 -0.16 0.00 -0.27 0.00 0.00 62.75 61.75 1q9c n ILE 152 Cb 0.81 -0.05 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 1q9c n ILE 152 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1q9c n ARG 153 N 0.36 -3.08 -4.32 6.28 5.12 -1.21 -5.03 116.66 114.78 1q9c n ARG 153 Ca 0.11 0.68 -0.32 0.00 -1.93 0.00 0.00 57.85 56.39 1q9c n ARG 153 Cb 0.43 -5.02 -0.09 0.00 -1.16 0.00 0.00 32.46 26.61 1q9c n ARG 153 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1q9c s HIS 154 N -2.95 2.99 -2.07 -1.55 3.76 -0.67 -5.04 115.29 109.75 1q9c s HIS 154 Ca 0.17 0.02 0.17 0.00 -0.15 0.00 0.00 55.06 55.27 1q9c s HIS 154 Cb -0.08 -1.62 0.14 0.00 1.11 0.00 0.00 32.58 32.13 1q9c s HIS 154 CO 0.22 0.43 1.03 0.66 -0.85 0.00 0.00 174.74 176.23 1q9c n TYR 155 N 1.32 0.01 -4.38 1.40 4.02 -1.26 -4.01 117.16 114.25 1q9c n TYR 155 Ca -0.14 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 1q9c n TYR 155 Cb 0.52 -0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.69 1q9c n TYR 155 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1q9c s GLU 156 N -1.38 0.91 -0.88 -0.72 -1.05 -1.26 -3.45 118.70 110.87 1q9c s GLU 156 Ca 0.20 -0.31 -0.23 0.00 -0.15 0.00 0.00 54.97 54.48 1q9c s GLU 156 Cb 0.14 -0.86 0.07 0.00 -0.44 0.00 0.00 34.13 33.04 1q9c s GLU 156 CO 0.21 0.13 1.25 0.42 0.95 0.00 0.00 175.26 178.21 1q9c s ILE 157 N 0.12 4.15 0.54 1.83 1.01 -1.19 -4.98 121.20 122.68 1q9c s ILE 157 Ca -0.02 -0.66 -0.15 0.00 0.00 0.00 0.00 60.65 59.82 1q9c s ILE 157 Cb -0.08 -4.90 -0.07 0.00 0.01 0.00 0.00 42.46 37.43 1q9c s ILE 157 CO 0.00 -1.73 1.00 -0.89 0.00 0.00 0.00 174.94 173.32 1q9c s THR 158 N 4.40 4.53 0.21 2.92 2.01 -1.26 -3.87 115.64 124.58 1q9c s THR 158 Ca 0.36 1.13 -0.09 0.00 0.31 0.00 0.00 61.69 63.40 1q9c s THR 158 Cb -0.06 -3.73 0.15 0.00 0.01 0.00 0.00 72.50 68.88 1q9c s THR 158 CO -0.01 -0.77 1.75 0.50 -0.69 0.00 0.00 174.62 175.39 1q9c h LYS 159 N 0.63 0.45 -0.99 4.92 3.64 -1.90 -0.57 116.57 122.74 1q9c h LYS 159 Ca -0.46 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 58.97 1q9c h LYS 159 Cb 1.19 -0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 1q9c h LYS 159 CO 0.61 0.30 0.64 1.96 -2.27 0.00 0.00 179.45 180.69 1q9c h GLN 160 N 0.46 1.09 -0.78 1.90 1.08 -1.99 -1.40 115.11 115.47 1q9c h GLN 160 Ca 0.32 -0.07 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 1q9c h GLN 160 Cb 0.38 -0.25 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 1q9c h GLN 160 CO -0.30 0.72 0.49 -0.44 -0.95 0.00 0.00 178.83 178.36 1q9c h ASP 161 N 1.13 0.80 -0.25 1.46 3.32 -1.48 -1.65 116.42 119.74 1q9c h ASP 161 Ca 0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 1q9c h ASP 161 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1q9c h ASP 161 CO -0.19 0.55 0.15 0.40 -1.72 0.00 0.00 179.24 178.42 1q9c h ILE 162 N 0.95 1.10 -0.30 0.35 2.04 -0.90 0.36 117.51 121.10 1q9c h ILE 162 Ca 0.32 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.97 1q9c h ILE 162 Cb 0.04 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 1q9c h ILE 162 CO -0.12 0.10 0.01 0.11 0.00 0.00 0.00 178.15 178.25 1q9c h LYS 163 N 0.31 0.10 -0.24 2.37 1.57 -0.89 -2.60 116.57 117.18 1q9c h LYS 163 Ca 0.09 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1q9c h LYS 163 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1q9c h LYS 163 CO -0.02 0.07 -0.02 0.28 -0.57 0.00 0.00 179.45 179.19 1q9c h VAL 164 N 0.10 1.26 0.00 0.50 2.07 -1.10 -1.18 116.25 117.91 1q9c h VAL 164 Ca 0.14 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1q9c h VAL 164 Cb 0.19 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1q9c h VAL 164 CO -0.23 0.30 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1q9c n ALA 165 N -2.36 0.78 0.00 1.67 0.00 0.12 -2.23 120.51 118.50 1q9c n ALA 165 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1q9c n ALA 165 Cb 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1q9c n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q9c n ALA 168 N 0.00 1.48 -2.69 0.00 0.00 -0.95 -4.80 120.51 113.56 1q9c n ALA 168 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 1q9c n ALA 168 Cb 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.98 1q9c n ALA 168 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1q9c s ASP 169 N -5.78 6.30 0.13 0.00 -1.08 -1.20 -4.93 116.67 110.11 1q9c s ASP 169 Ca -0.09 -0.49 -0.28 0.00 -0.52 0.00 0.00 52.55 51.16 1q9c s ASP 169 Cb 0.07 -2.42 -0.06 0.00 -1.46 0.00 0.00 42.92 39.05 1q9c s ASP 169 CO 0.82 -1.24 1.60 0.11 0.52 0.00 0.00 175.17 176.98 1q9c h LYS 170 N 9.33 -0.49 -0.66 4.34 1.57 -1.94 -3.05 116.57 125.66 1q9c h LYS 170 Ca -0.27 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1q9c h LYS 170 Cb 1.07 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 1q9c h LYS 170 CO 1.09 -0.33 -0.39 0.28 -0.57 0.00 0.00 179.45 179.54 1q9c n VAL 171 N -5.43 -0.45 0.15 0.50 0.31 -1.26 -0.75 118.33 111.39 1q9c n VAL 171 Ca -0.05 1.77 0.00 0.00 -0.01 0.00 0.00 64.34 66.05 1q9c n VAL 171 Cb 0.35 -2.20 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1q9c n VAL 171 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1q9c n LEU 172 N -4.65 0.78 -1.24 7.52 4.77 -1.16 -4.80 117.00 118.23 1q9c n LEU 172 Ca 0.01 -0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 55.59 1q9c n LEU 172 Cb 0.17 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1q9c n LEU 172 CO -0.11 0.14 -0.01 0.47 -1.33 0.00 0.00 177.39 176.55 1q9c n ASP 174 N 1.11 -0.26 0.00 -1.43 8.00 0.07 -4.56 116.55 119.48 1q9c n ASP 174 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1q9c n ASP 174 Cb 0.11 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1q9c n ASP 174 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1q9c n PHE 176 N -0.72 0.00 -0.94 1.24 3.01 -1.26 -4.90 117.46 113.89 1q9c n PHE 176 Ca 0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.18 1q9c n PHE 176 Cb 0.10 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.55 1q9c n PHE 176 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1q9c n HIS 177 N 0.00 1.71 -0.02 1.38 1.44 -1.26 -2.04 115.22 116.43 1q9c n HIS 177 Ca 0.00 -2.17 0.00 0.00 -2.01 0.00 0.00 57.72 53.54 1q9c n HIS 177 Cb 0.00 -1.85 0.00 0.00 0.12 0.00 0.00 29.99 28.26 1q9c n HIS 177 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1q9c n GLN 178 N 4.62 0.00 -0.01 -1.40 10.64 -1.26 -4.97 117.38 125.00 1q9c n GLN 178 Ca 0.51 0.00 0.02 0.00 -1.83 0.00 0.00 57.00 55.70 1q9c n GLN 178 Cb 0.20 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.53 1q9c n GLN 178 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1q9c n ASP 179 N 0.00 3.41 -4.74 2.61 8.00 -0.87 -5.04 116.55 119.92 1q9c n ASP 179 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 1q9c n ASP 179 Cb 0.00 1.17 0.13 0.00 -0.02 0.00 0.00 41.12 42.40 1q9c n ASP 179 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1q9c s VAL 180 N -2.41 2.75 0.62 2.53 -7.23 -1.19 -4.98 120.40 110.48 1q9c s VAL 180 Ca -0.03 0.24 0.05 0.00 -1.81 0.00 0.00 61.98 60.44 1q9c s VAL 180 Cb 0.04 -2.80 0.10 0.00 0.56 0.00 0.00 36.38 34.28 1q9c s VAL 180 CO 0.28 -0.32 0.86 -0.70 -0.31 0.00 0.00 175.10 174.91 1q9c s GLU 181 N -4.99 2.10 0.37 4.82 2.12 -1.26 -5.07 118.70 116.78 1q9c s GLU 181 Ca 0.63 -1.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.53 1q9c s GLU 181 Cb -0.17 -2.52 0.09 0.00 0.26 0.00 0.00 34.13 31.79 1q9c s GLU 181 CO 0.56 -1.05 0.36 -0.25 -0.54 0.00 0.00 175.26 174.35 1q9c n ASP 182 N -2.46 -1.03 0.00 -1.70 8.00 -1.26 -5.09 116.55 113.01 1q9c n ASP 182 Ca 0.15 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.84 1q9c n ASP 182 Cb 0.61 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1q9c n ASP 182 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43