#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 -0.63 -2.19 3.23 -0.02 -1.26 -4.87 135.00 129.26 1q9c n PRO 7 Ca 0.00 -0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.91 1q9c n PRO 7 Cb 0.00 -1.91 -0.02 0.00 -0.02 0.00 0.00 33.50 31.54 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 -2.40 2.32 -0.66 6.00 5.04 -1.26 -4.95 117.35 121.44 1q9c s TYR 8 Ca 0.58 0.58 -0.26 0.00 -2.44 0.00 0.00 57.07 55.53 1q9c s TYR 8 Cb -0.20 -3.81 0.04 0.00 0.35 0.00 0.00 41.96 38.33 1q9c s TYR 8 CO 0.66 -2.81 1.16 -2.00 -1.34 0.00 0.00 175.55 171.22 1q9c s GLU 9 N 4.08 3.28 0.10 4.97 2.56 -1.26 -4.91 118.70 127.52 1q9c s GLU 9 Ca 0.66 -0.21 -0.19 0.00 0.00 0.00 0.00 54.97 55.23 1q9c s GLU 9 Cb -0.26 -4.13 -0.07 0.00 2.00 0.00 0.00 34.13 31.67 1q9c s GLU 9 CO 0.25 -1.88 1.61 0.74 -0.56 0.00 0.00 175.26 175.42 1q9c h PHE 10 N 9.73 0.38 -0.73 5.30 0.05 -1.97 -3.29 116.94 126.41 1q9c h PHE 10 Ca -0.27 -0.04 -0.31 0.00 3.82 0.00 0.00 57.97 61.17 1q9c h PHE 10 Cb 1.06 -0.11 -0.19 0.00 2.00 0.00 0.00 35.95 38.71 1q9c h PHE 10 CO 1.05 0.43 0.33 1.19 -0.18 0.00 0.00 178.31 181.12 1q9c n PHE 11 N -4.77 2.31 -2.26 -0.55 3.01 -1.26 -1.38 117.46 112.56 1q9c n PHE 11 Ca -0.03 -1.51 -0.34 0.00 1.01 0.00 0.00 57.45 56.57 1q9c n PHE 11 Cb 0.15 -0.72 -0.00 0.00 -0.01 0.00 0.00 39.48 38.89 1q9c n PHE 11 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1q9c s SER 12 N -1.52 5.86 0.47 4.37 1.04 -1.24 -4.35 113.70 118.33 1q9c s SER 12 Ca 0.53 2.02 0.35 0.00 0.48 0.00 0.00 55.95 59.32 1q9c s SER 12 Cb 0.44 -2.56 1.50 0.00 0.10 0.00 0.00 66.02 65.50 1q9c s SER 12 CO 0.09 -1.12 1.63 -0.33 0.98 0.00 0.00 173.24 174.49 1q9c h GLU 13 N 1.06 0.06 0.03 4.02 5.08 -1.94 0.42 114.58 123.31 1q9c h GLU 13 Ca -0.49 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 1q9c h GLU 13 Cb 1.24 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1q9c h GLU 13 CO 0.57 0.04 -0.37 0.93 -1.00 0.00 0.00 179.01 179.18 1q9c h GLU 14 N 0.06 0.20 0.03 2.33 5.08 -1.95 -3.41 114.58 116.92 1q9c h GLU 14 Ca 0.83 -0.25 -0.21 0.00 -1.00 0.00 0.00 59.36 58.72 1q9c h GLU 14 Cb 2.80 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 32.11 1q9c h GLU 14 CO -0.31 1.02 -1.12 -0.91 -1.00 0.00 0.00 179.01 176.69 1q9c h ASN 15 N -0.50 0.09 -0.23 1.42 2.35 -1.18 -3.42 115.58 114.11 1q9c h ASN 15 Ca -0.05 -0.68 0.02 0.00 -0.55 0.00 0.00 56.30 55.04 1q9c h ASN 15 Cb 1.18 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 1q9c h ASN 15 CO 0.07 1.45 -0.13 0.00 -1.65 0.00 0.00 177.43 177.18 1q9c n ALA 16 N -3.18 -0.14 0.23 -0.83 0.00 0.13 0.16 120.51 116.88 1q9c n ALA 16 Ca -0.27 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1q9c n ALA 16 Cb 0.71 -0.04 0.42 0.00 0.00 0.00 0.00 19.45 20.55 1q9c n ALA 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q9c h PRO 17 N 0.00 0.00 0.00 0.00 0.11 -1.80 0.17 132.00 130.47 1q9c h PRO 17 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1q9c h PRO 17 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1q9c h PRO 17 CO -0.21 0.00 -0.59 1.63 -0.21 0.00 0.00 178.00 178.61 1q9c n LYS 18 N -2.30 0.22 0.00 1.05 5.02 0.43 -4.59 118.16 117.99 1q9c n LYS 18 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1q9c n LYS 18 Cb 0.44 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.96 0.00 -1.37 2.13 7.02 0.52 -4.85 117.44 118.93 1q9c n TRP 19 Ca 0.04 0.00 -0.53 0.00 -1.02 0.00 0.00 57.50 55.99 1q9c n TRP 19 Cb 0.41 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.21 1q9c n TRP 19 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1q9c n ARG 20 N -2.03 0.51 -0.84 -0.99 5.12 -0.83 0.95 116.66 118.54 1q9c n ARG 20 Ca 0.00 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1q9c n ARG 20 Cb 0.38 -1.99 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 1q9c n ARG 20 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q9c n GLY 21 N 6.92 0.53 0.18 -0.13 0.00 -1.26 -4.95 105.19 106.48 1q9c n GLY 21 Ca 0.50 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 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 0.83 0.01 0.99 5.85 0.25 -3.35 115.31 119.89 1q9c h LEU 22 Ca 0.00 -0.78 -0.29 0.00 0.84 0.00 0.00 57.88 57.65 1q9c h LEU 22 Cb 0.00 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1q9c h LEU 22 CO 0.00 1.51 -1.66 -0.07 -0.34 0.00 0.00 178.44 177.88 1q9c h LEU 23 N 0.25 0.04 -0.95 2.25 3.38 -1.93 -3.40 115.31 114.95 1q9c h LEU 23 Ca -0.14 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.91 1q9c h LEU 23 Cb 1.71 -0.01 -0.16 0.00 0.09 0.00 0.00 40.66 42.28 1q9c h LEU 23 CO 0.20 1.07 -0.35 0.58 0.09 0.00 0.00 178.44 180.03 1q9c h VAL 24 N 0.01 0.03 -0.70 1.22 2.07 -1.88 0.44 116.25 117.43 1q9c h VAL 24 Ca -0.27 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.39 1q9c h VAL 24 Cb 1.99 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 1q9c h VAL 24 CO 0.09 0.00 0.19 -0.65 0.02 0.00 0.00 177.57 177.22 1q9c h PRO 25 N -0.02 0.30 -0.03 1.57 0.11 -1.77 -0.01 132.00 132.16 1q9c h PRO 25 Ca 0.37 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 1q9c h PRO 25 Cb 0.62 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.67 1q9c h PRO 25 CO -0.96 0.20 -0.30 0.00 -0.21 0.00 0.00 178.00 176.73 1q9c h ALA 26 N 1.55 0.07 -0.81 -0.75 0.00 -1.10 -3.13 119.26 115.09 1q9c h ALA 26 Ca 0.38 -0.46 0.23 0.00 0.00 0.00 0.00 54.91 55.07 1q9c h ALA 26 Cb 0.61 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1q9c h ALA 26 CO -0.45 0.13 0.58 -0.07 0.00 0.00 0.00 179.25 179.44 1q9c h LEU 27 N -0.33 0.04 -0.54 0.00 3.38 0.29 0.76 115.31 118.90 1q9c h LEU 27 Ca -0.03 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1q9c h LEU 27 Cb 1.00 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1q9c h LEU 27 CO 0.06 0.01 -0.66 0.50 0.09 0.00 0.00 178.44 178.45 1q9c h LYS 28 N 0.04 0.32 -0.01 1.13 3.64 -0.99 -2.07 116.57 118.62 1q9c h LYS 28 Ca 0.39 -0.24 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 1q9c h LYS 28 Cb 1.51 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 1q9c h LYS 28 CO -0.02 0.86 -0.36 0.87 -2.27 0.00 0.00 179.45 178.53 1q9c h LYS 29 N 0.23 0.01 -0.05 1.90 1.79 0.53 -3.03 116.57 117.95 1q9c h LYS 29 Ca -0.01 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1q9c h LYS 29 Cb 1.19 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1q9c h LYS 29 CO 0.11 0.37 -0.21 0.28 -1.08 0.00 0.00 179.45 178.92 1q9c h VAL 30 N 0.01 1.45 -0.19 0.50 2.07 -0.79 -2.87 116.25 116.43 1q9c h VAL 30 Ca -0.00 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 65.93 1q9c h VAL 30 Cb 0.65 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 1q9c h VAL 30 CO 0.05 0.46 0.16 -0.61 0.02 0.00 0.00 177.57 177.64 1q9c h GLN 31 N -0.31 0.00 0.00 1.57 4.15 -1.31 0.49 115.11 119.70 1q9c h GLN 31 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1q9c h GLN 31 Cb 0.85 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1q9c h GLN 31 CO 0.04 0.00 -0.29 0.41 -1.93 0.00 0.00 178.83 177.06 1q9c n GLY 32 N -1.51 -1.53 0.09 2.39 0.00 -1.15 -0.10 105.19 103.38 1q9c n GLY 32 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 1q9c n GLY 32 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1q9c h GLN 33 N 0.00 0.12 0.00 1.61 4.15 0.17 -3.12 115.11 118.04 1q9c h GLN 33 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1q9c h GLN 33 Cb 0.69 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1q9c h GLN 33 CO 0.00 1.01 -1.45 1.33 -1.93 0.00 0.00 178.83 177.79 1q9c n VAL 34 N -3.37 0.00 -3.00 2.39 0.24 -0.72 -4.80 118.33 109.06 1q9c n VAL 34 Ca -0.08 -0.29 -0.16 0.00 -2.04 0.00 0.00 64.34 61.77 1q9c n VAL 34 Cb 1.00 0.33 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 1q9c n VAL 34 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1q9c n HIS 35 N -1.86 -2.03 -0.09 6.34 8.25 0.86 -4.96 115.22 121.73 1q9c n HIS 35 Ca -0.02 -2.55 -0.06 0.00 -0.26 0.00 0.00 57.72 54.83 1q9c n HIS 35 Cb 0.34 0.70 -0.00 0.00 1.12 0.00 0.00 29.99 32.14 1q9c n HIS 35 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1q9c h PRO 36 N 4.37 -0.06 -0.32 -0.41 0.11 -1.64 -2.93 132.00 131.12 1q9c h PRO 36 Ca 0.02 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.18 1q9c h PRO 36 Cb 0.97 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1q9c h PRO 36 CO 0.34 -0.04 0.02 1.15 -0.21 0.00 0.00 178.00 179.26 1q9c h THR 37 N -0.06 0.79 -3.58 -1.15 2.02 -1.91 -3.44 112.91 105.58 1q9c h THR 37 Ca 0.16 -0.04 -0.56 0.00 0.77 0.00 0.00 66.41 66.74 1q9c h THR 37 Cb 0.30 0.66 0.12 0.00 -1.74 0.00 0.00 68.15 67.49 1q9c h THR 37 CO -0.36 0.02 0.58 0.18 0.37 0.00 0.00 175.52 176.31 1q9c n LEU 38 N -5.14 4.11 -4.89 2.58 4.77 -1.11 -4.98 117.00 112.34 1q9c n LEU 38 Ca 0.00 1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 1q9c n LEU 38 Cb 0.16 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 1q9c n LEU 38 CO 0.23 -0.36 0.58 -0.70 -1.33 0.00 0.00 177.39 175.81 1q9c s GLU 39 N -2.08 3.57 0.01 3.23 2.56 0.12 -4.92 118.70 121.20 1q9c s GLU 39 Ca 0.57 0.47 0.04 0.00 0.00 0.00 0.00 54.97 56.05 1q9c s GLU 39 Cb -0.52 -2.23 -0.03 0.00 2.00 0.00 0.00 34.13 33.35 1q9c s GLU 39 CO 0.61 -0.38 -0.10 -1.54 -0.56 0.00 0.00 175.26 173.28 1q9c s SER 40 N -4.14 4.35 -0.08 -1.70 1.04 -1.26 -3.03 113.70 108.88 1q9c s SER 40 Ca 0.51 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1q9c s SER 40 Cb -0.11 -0.93 -0.01 0.00 0.10 0.00 0.00 66.02 65.07 1q9c s SER 40 CO 0.49 0.28 -0.19 0.21 0.98 0.00 0.00 173.24 175.01 1q9c s ASN 41 N -1.38 3.57 0.03 7.02 3.84 -1.26 -4.99 114.94 121.78 1q9c s ASN 41 Ca 0.16 -0.39 -0.25 0.00 0.21 0.00 0.00 52.86 52.59 1q9c s ASN 41 Cb -0.11 -1.13 -0.18 0.00 -0.55 0.00 0.00 41.25 39.28 1q9c s ASN 41 CO 0.06 0.24 1.48 0.44 -2.79 0.00 0.00 177.10 176.53 1q9c h ASP 42 N 6.15 -0.03 -0.60 -4.21 3.32 -1.99 -0.63 116.42 118.43 1q9c h ASP 42 Ca -0.32 -0.25 0.15 0.00 0.02 0.00 0.00 57.03 56.63 1q9c h ASP 42 Cb 1.19 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 1q9c h ASP 42 CO 0.50 0.23 0.42 -0.78 -1.72 0.00 0.00 179.24 177.89 1q9c h ASP 43 N -0.30 0.12 0.18 6.45 3.58 -1.97 0.21 116.42 124.69 1q9c h ASP 43 Ca -0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1q9c h ASP 43 Cb 0.28 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1q9c h ASP 43 CO 0.01 0.06 -0.09 0.00 -2.88 0.00 0.00 179.24 176.34 1q9c h ALA 44 N 1.71 -0.25 -0.91 -0.78 0.00 -1.78 -3.12 119.26 114.12 1q9c h ALA 44 Ca 0.29 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1q9c h ALA 44 Cb 0.96 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1q9c h ALA 44 CO -0.04 -0.23 0.57 -0.07 0.00 0.00 0.00 179.25 179.48 1q9c h LEU 45 N -1.03 0.90 -2.71 0.00 3.38 -0.88 0.14 115.31 115.11 1q9c h LEU 45 Ca -0.03 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1q9c h LEU 45 Cb 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1q9c h LEU 45 CO 0.04 0.56 -0.01 -0.61 0.09 0.00 0.00 178.44 178.52 1q9c h GLN 46 N 1.03 0.00 0.16 1.13 4.15 -0.71 -0.20 115.11 120.66 1q9c h GLN 46 Ca 0.40 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.60 1q9c h GLN 46 Cb 0.20 0.00 0.02 0.00 0.21 0.00 0.00 27.48 27.92 1q9c h GLN 46 CO -0.18 0.01 -0.98 -0.92 -1.93 0.00 0.00 178.83 174.83 1q9c h TYR 47 N 0.00 0.60 -0.59 3.99 3.20 -0.67 -3.20 116.97 120.29 1q9c h TYR 47 Ca -0.00 -0.44 0.01 0.00 3.14 0.00 0.00 58.73 61.45 1q9c h TYR 47 Cb 0.05 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 1q9c h TYR 47 CO 0.00 1.38 0.39 0.28 -1.64 0.00 0.00 178.16 178.57 1q9c h VAL 48 N -0.29 1.13 -0.79 1.81 2.07 -0.42 -1.31 116.25 118.45 1q9c h VAL 48 Ca -0.18 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.11 1q9c h VAL 48 Cb 1.73 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1q9c h VAL 48 CO 0.16 0.14 0.50 -0.08 0.02 0.00 0.00 177.57 178.31 1q9c h GLU 49 N 0.77 0.95 0.35 1.57 4.81 -1.15 0.12 114.58 122.00 1q9c h GLU 49 Ca 0.22 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1q9c h GLU 49 Cb -0.04 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1q9c h GLU 49 CO -0.05 0.63 -0.26 0.93 -0.73 0.00 0.00 179.01 179.53 1q9c h GLU 50 N 0.98 -0.59 -0.23 1.92 5.08 -1.24 0.30 114.58 120.81 1q9c h GLU 50 Ca 0.31 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.76 1q9c h GLU 50 Cb 0.01 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1q9c h GLU 50 CO -0.11 -0.39 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.38 1q9c h LEU 51 N -0.61 -0.21 -0.90 1.33 3.38 -1.19 -0.30 115.31 116.81 1q9c h LEU 51 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1q9c h LEU 51 Cb 0.53 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1q9c h LEU 51 CO 0.00 -0.07 0.57 0.40 0.09 0.00 0.00 178.44 179.43 1q9c h ILE 52 N 0.00 1.24 -0.40 1.22 1.08 -0.55 -1.38 117.51 118.72 1q9c h ILE 52 Ca 0.11 -0.48 -0.07 0.00 -0.39 0.00 0.00 64.86 64.03 1q9c h ILE 52 Cb 0.17 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1q9c h ILE 52 CO -0.23 0.24 -0.04 -0.07 -0.69 0.00 0.00 178.15 177.36 1q9c h LEU 53 N 1.23 0.63 -0.92 1.44 3.38 0.13 -1.10 115.31 120.11 1q9c h LEU 53 Ca 0.33 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1q9c h LEU 53 Cb -0.10 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 1q9c h LEU 53 CO -0.07 0.72 0.47 -0.61 0.09 0.00 0.00 178.44 179.04 1q9c h GLN 54 N 0.61 1.23 -0.32 1.13 5.75 -0.21 -0.60 115.11 122.70 1q9c h GLN 54 Ca 0.12 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1q9c h GLN 54 Cb 0.44 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1q9c h GLN 54 CO 0.02 0.91 0.20 1.25 -2.65 0.00 0.00 178.83 178.56 1q9c h LEU 55 N 1.23 0.37 -0.45 -2.39 5.85 -0.30 -2.33 115.31 117.29 1q9c h LEU 55 Ca 0.31 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.07 1q9c h LEU 55 Cb 0.05 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1q9c h LEU 55 CO -0.05 0.29 0.08 0.25 -0.34 0.00 0.00 178.44 178.67 1q9c h LEU 56 N 0.42 -0.03 -2.29 2.25 5.85 -0.36 -0.77 115.31 120.38 1q9c h LEU 56 Ca 0.11 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1q9c h LEU 56 Cb -0.02 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1q9c h LEU 56 CO -0.02 0.02 0.00 -3.20 -0.34 0.00 0.00 178.44 174.89 1q9c n ASN 57 N -5.12 0.32 0.00 1.25 5.15 -0.32 -1.88 115.26 114.66 1q9c n ASN 57 Ca 0.04 -0.33 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 1q9c n ASN 57 Cb 0.22 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 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 1.10 0.00 -0.04 1.20 4.77 -0.30 -2.76 117.00 120.97 1q9c n LEU 59 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1q9c n LEU 59 Cb 0.05 0.00 0.71 0.00 -2.33 0.00 0.00 43.42 41.85 1q9c n LEU 59 CO 0.00 0.00 0.97 0.00 -1.33 0.00 0.00 177.39 177.03 1q9c n GLN 61 N -1.16 0.21 -0.01 0.00 7.27 -1.11 -2.38 117.38 120.20 1q9c n GLN 61 Ca 0.15 0.03 0.11 0.00 0.07 0.00 0.00 57.00 57.36 1q9c n GLN 61 Cb 0.25 -1.50 0.10 0.00 2.41 0.00 0.00 30.24 31.50 1q9c n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1q9c n ALA 62 N -1.39 2.46 -3.92 1.69 0.00 -1.21 -4.99 120.51 113.15 1q9c n ALA 62 Ca 0.10 -0.70 -0.32 0.00 0.00 0.00 0.00 53.44 52.52 1q9c n ALA 62 Cb 0.27 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.27 -1.85 -1.71 0.00 6.02 -1.00 -4.85 117.38 115.26 1q9c n GLN 63 Ca 0.13 0.33 -0.43 0.00 -0.01 0.00 0.00 57.00 57.02 1q9c n GLN 63 Cb 0.56 -3.95 -0.02 0.00 1.02 0.00 0.00 30.24 27.85 1q9c n GLN 63 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1q9c n PRO 64 N -4.47 2.36 -0.05 -1.09 -0.02 -1.26 -4.92 135.00 125.55 1q9c n PRO 64 Ca -0.21 0.84 -0.03 0.00 -2.02 0.00 0.00 63.50 62.09 1q9c n PRO 64 Cb 0.64 -2.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1q9c n PRO 64 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1q9c n ARG 65 N 2.06 1.33 -4.15 -0.52 5.12 -1.26 -4.99 116.66 114.25 1q9c n ARG 65 Ca 0.10 -0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.87 1q9c n ARG 65 Cb 0.34 -1.36 -0.10 0.00 -1.16 0.00 0.00 32.46 30.18 1q9c n ARG 65 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1q9c s SER 66 N -4.44 0.24 0.52 0.55 1.04 -1.26 -4.61 113.70 105.74 1q9c s SER 66 Ca -0.07 -1.23 0.26 0.00 0.48 0.00 0.00 55.95 55.39 1q9c s SER 66 Cb 0.06 0.33 1.37 0.00 0.10 0.00 0.00 66.02 67.88 1q9c s SER 66 CO 0.59 -0.78 1.96 0.00 0.98 0.00 0.00 173.24 175.99 1q9c h ALA 67 N 2.77 2.54 -0.03 5.32 0.00 -1.89 -0.84 119.26 127.13 1q9c h ALA 67 Ca -0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1q9c h ALA 67 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1q9c h ALA 67 CO 0.56 -0.72 -0.01 1.03 0.00 0.00 0.00 179.25 180.11 1q9c h SER 68 N 0.06 0.06 -0.99 0.00 0.87 -1.99 -2.57 113.55 108.99 1q9c h SER 68 Ca 0.32 -0.42 0.16 0.00 -1.23 0.00 0.00 61.79 60.62 1q9c h SER 68 Cb 1.18 -0.02 -0.09 0.00 -0.44 0.00 0.00 62.40 63.03 1q9c h SER 68 CO -0.02 0.46 0.62 0.44 -0.53 0.00 0.00 176.83 177.80 1q9c h ASP 69 N -0.34 0.82 -0.39 6.23 3.32 -1.56 -0.27 116.42 124.22 1q9c h ASP 69 Ca 0.01 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1q9c h ASP 69 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1q9c h ASP 69 CO 0.00 0.37 0.03 0.58 -1.72 0.00 0.00 179.24 178.50 1q9c h VAL 70 N 0.84 1.25 0.27 -1.35 2.07 -1.40 -2.47 116.25 115.46 1q9c h VAL 70 Ca 0.53 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1q9c h VAL 70 Cb 0.73 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1q9c h VAL 70 CO -0.31 0.32 -0.30 -0.08 0.02 0.00 0.00 177.57 177.22 1q9c h GLU 71 N 0.51 -0.58 -0.24 1.57 4.81 -0.66 -1.14 114.58 118.84 1q9c h GLU 71 Ca 0.12 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.45 1q9c h GLU 71 Cb 0.42 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1q9c h GLU 71 CO 0.01 -0.39 -0.29 0.93 -0.73 0.00 0.00 179.01 178.54 1q9c h GLU 72 N -0.61 -0.30 -0.72 1.92 5.08 -1.29 0.25 114.58 118.91 1q9c h GLU 72 Ca -0.01 0.02 0.21 0.00 -1.00 0.00 0.00 59.36 58.58 1q9c h GLU 72 Cb 0.57 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1q9c h GLU 72 CO -0.08 -0.20 0.51 -0.09 -1.00 0.00 0.00 179.01 178.16 1q9c h ARG 73 N -0.31 0.01 0.24 2.33 9.65 -1.18 -0.71 114.38 124.42 1q9c h ARG 73 Ca 0.13 -0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.68 1q9c h ARG 73 Cb 0.51 -0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.13 1q9c h ARG 73 CO -0.41 0.00 -1.42 0.28 2.80 0.00 0.00 179.97 181.23 1q9c h VAL 74 N 0.01 1.30 0.00 0.20 2.07 0.62 -3.11 116.25 117.33 1q9c h VAL 74 Ca 0.34 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1q9c h VAL 74 Cb 1.36 3.05 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 1q9c h VAL 74 CO -0.01 0.80 0.00 1.67 0.02 0.00 0.00 177.57 180.05 1q9c n GLN 75 N -3.76 0.11 -0.02 1.57 7.27 0.50 -2.04 117.38 121.01 1q9c n GLN 75 Ca -0.17 0.42 0.04 0.00 0.07 0.00 0.00 57.00 57.36 1q9c n GLN 75 Cb 1.08 -1.73 -0.11 0.00 2.41 0.00 0.00 30.24 31.88 1q9c n GLN 75 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1q9c n LYS 76 N -1.94 0.76 -0.08 3.69 5.02 -0.99 -4.68 118.16 119.94 1q9c n LYS 76 Ca 0.02 -0.10 -0.07 0.00 -2.02 0.00 0.00 58.31 56.13 1q9c n LYS 76 Cb 0.15 -1.34 -0.16 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.11 0.07 -4.77 4.39 3.41 -1.14 -4.97 113.62 108.49 1q9c n SER 77 Ca -0.07 0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.18 1q9c n SER 77 Cb 0.50 1.04 -0.06 0.00 -0.26 0.00 0.00 64.21 65.44 1q9c n SER 77 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1q9c s PHE 78 N -2.63 3.84 0.83 7.33 0.08 -0.87 -5.06 117.98 121.51 1q9c s PHE 78 Ca -0.09 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.38 1q9c s PHE 78 Cb 0.07 -2.75 0.09 0.00 -0.57 0.00 0.00 43.02 39.86 1q9c s PHE 78 CO 0.84 0.45 1.09 -2.14 -0.10 0.00 0.00 175.22 175.36 1q9c s PRO 79 N -0.81 1.79 0.30 0.24 0.02 -1.26 -4.36 135.00 130.92 1q9c s PRO 79 Ca 0.36 0.84 -0.28 0.00 0.02 0.00 0.00 61.00 61.93 1q9c s PRO 79 Cb -0.22 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.34 1q9c s PRO 79 CO 0.24 -1.88 1.01 -1.58 -0.33 0.00 0.00 177.00 174.47 1q9c s HIS 80 N -3.00 3.66 0.10 6.54 2.46 -1.26 -1.27 115.29 122.52 1q9c s HIS 80 Ca 0.62 1.77 0.04 0.00 0.47 0.00 0.00 55.06 57.96 1q9c s HIS 80 Cb -0.16 -3.09 -0.23 0.00 -0.13 0.00 0.00 32.58 28.96 1q9c s HIS 80 CO 0.56 -0.12 1.22 -1.35 -2.47 0.00 0.00 174.74 172.57 1q9c h PRO 81 N 3.52 0.07 -0.79 2.88 0.11 -2.01 -3.47 132.00 132.31 1q9c h PRO 81 Ca -0.47 -0.12 0.09 0.00 0.11 0.00 0.00 66.00 65.62 1q9c h PRO 81 Cb 1.20 0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 1q9c h PRO 81 CO 0.66 1.04 -0.39 -0.89 -0.21 0.00 0.00 178.00 178.20 1q9c n ILE 82 N -3.38 -0.48 -0.17 4.15 -0.00 -1.06 -2.15 119.36 116.27 1q9c n ILE 82 Ca -0.03 1.88 -0.12 0.00 -0.00 0.00 0.00 62.75 64.48 1q9c n ILE 82 Cb 0.97 -2.39 -0.09 0.00 -0.00 0.00 0.00 39.64 38.12 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 -1.73 0.26 4.38 2.03 -1.38 0.30 116.42 120.28 1q9c h ASP 83 Ca 0.20 0.23 0.01 0.00 -0.73 0.00 0.00 57.03 56.73 1q9c h ASP 83 Cb 0.39 0.72 -0.04 0.00 -0.83 0.00 0.00 39.33 39.58 1q9c h ASP 83 CO -0.76 -0.34 -0.44 0.50 -1.03 0.00 0.00 179.24 177.17 1q9c h LYS 84 N -0.30 -0.75 0.19 4.15 3.64 -1.72 -2.71 116.57 119.07 1q9c h LYS 84 Ca 0.08 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1q9c h LYS 84 Cb 0.51 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 1q9c h LYS 84 CO -0.59 -0.50 -0.47 -1.49 -2.27 0.00 0.00 179.45 174.13 1q9c h TRP 85 N -0.78 -1.34 -0.75 1.91 -0.00 -1.06 -2.64 115.95 111.29 1q9c h TRP 85 Ca -0.01 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.98 1q9c h TRP 85 Cb 0.74 0.56 -0.09 0.00 -0.00 0.00 0.00 29.16 30.37 1q9c h TRP 85 CO -0.32 -0.55 -0.44 0.00 -0.00 0.00 0.00 178.44 177.13 1q9c h ALA 86 N -0.74 -0.41 -0.69 1.49 0.00 -0.36 0.56 119.26 119.11 1q9c h ALA 86 Ca -0.02 0.09 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1q9c h ALA 86 Cb 0.70 1.28 -0.10 0.00 0.00 0.00 0.00 17.79 19.67 1q9c h ALA 86 CO -0.21 -0.73 0.15 0.82 0.00 0.00 0.00 179.25 179.28 1q9c h ILE 87 N -0.00 0.55 -0.88 0.00 2.04 -1.43 0.16 117.51 117.95 1q9c h ILE 87 Ca 0.12 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1q9c h ILE 87 Cb 0.31 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1q9c h ILE 87 CO -0.70 0.05 0.57 0.00 0.00 0.00 0.00 178.15 178.07 1q9c h ALA 88 N 1.57 1.59 -0.03 1.87 0.00 -0.56 0.78 119.26 124.48 1q9c h ALA 88 Ca 0.38 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1q9c h ALA 88 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1q9c h ALA 88 CO -0.48 0.25 -0.73 0.22 0.00 0.00 0.00 179.25 178.51 1q9c h ASP 89 N 0.93 0.21 0.04 0.00 -0.00 0.44 -3.00 116.42 115.04 1q9c h ASP 89 Ca 0.39 -0.14 -0.25 0.00 -0.00 0.00 0.00 57.03 57.03 1q9c h ASP 89 Cb 0.31 -0.06 0.02 0.00 -0.00 0.00 0.00 39.33 39.60 1q9c h ASP 89 CO -0.16 0.87 -1.02 0.00 -0.00 0.00 0.00 179.24 178.93 1q9c h ALA 90 N 1.13 0.06 -0.48 -0.78 0.00 0.66 -3.07 119.26 116.78 1q9c h ALA 90 Ca -0.02 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 54.27 1q9c h ALA 90 Cb 1.30 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1q9c h ALA 90 CO 0.11 0.61 0.11 1.96 0.00 0.00 0.00 179.25 182.04 1q9c h GLN 91 N 0.23 0.24 -0.71 0.00 1.08 0.49 -0.54 115.11 115.90 1q9c h GLN 91 Ca -0.14 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.05 1q9c h GLN 91 Cb 1.70 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 29.04 1q9c h GLN 91 CO 0.20 0.16 0.45 1.03 -0.95 0.00 0.00 178.83 179.72 1q9c h SER 92 N 0.25 0.84 -0.84 1.46 0.87 -1.59 -0.29 113.55 114.24 1q9c h SER 92 Ca 0.24 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1q9c h SER 92 Cb 0.31 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 1q9c h SER 92 CO -0.30 0.63 0.55 0.00 -0.53 0.00 0.00 176.83 177.18 1q9c h ALA 93 N 1.52 1.50 0.00 6.23 0.00 -1.00 -2.53 119.26 124.98 1q9c h ALA 93 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1q9c h ALA 93 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1q9c h ALA 93 CO -0.05 0.41 -0.99 0.44 0.00 0.00 0.00 179.25 179.06 1q9c n ILE 94 N -4.45 0.10 0.62 0.00 -5.35 -0.93 -3.89 119.36 105.46 1q9c n ILE 94 Ca 0.11 -0.17 0.08 0.00 -0.27 0.00 0.00 62.75 62.50 1q9c n ILE 94 Cb 0.13 0.37 0.36 0.00 -1.74 0.00 0.00 39.64 38.75 1q9c n ILE 94 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1q9c n GLU 95 N -1.81 0.08 -2.43 6.28 2.13 -0.17 -4.96 120.64 119.76 1q9c n GLU 95 Ca 0.03 0.20 -0.01 0.00 0.66 0.00 0.00 57.16 58.03 1q9c n GLU 95 Cb 0.41 -1.50 -0.01 0.00 0.27 0.00 0.00 31.44 30.61 1q9c n GLU 95 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1q9c n LYS 96 N -1.43 -2.50 -1.94 5.31 4.81 -1.22 -5.06 118.16 116.13 1q9c n LYS 96 Ca 0.05 1.89 0.00 0.00 -0.87 0.00 0.00 58.31 59.38 1q9c n LYS 96 Cb 0.17 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 32.71 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 2.03 0.00 -1.69 1.64 1.85 -1.26 -5.13 116.66 114.10 1q9c n ARG 97 Ca -0.07 -0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.33 1q9c n ARG 97 Cb 0.11 0.01 -0.02 0.00 -1.05 0.00 0.00 32.46 31.51 1q9c n ARG 97 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1q9c n LYS 98 N -0.01 2.20 0.00 2.89 5.02 -1.26 -5.09 118.16 121.91 1q9c n LYS 98 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1q9c n LYS 98 Cb 0.00 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 32.54 1q9c n LYS 98 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1q9c n ARG 99 N 2.08 0.00 -4.28 1.97 3.00 -1.26 -5.11 116.66 113.06 1q9c n ARG 99 Ca 0.11 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.77 1q9c n ARG 99 Cb 0.33 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.66 1q9c n ARG 99 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1q9c s LEU 103 N 0.00 2.18 -0.18 6.15 2.96 -1.26 -5.28 118.68 123.26 1q9c s LEU 103 Ca 0.00 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 1q9c s LEU 103 Cb 0.00 -0.51 -0.08 0.00 0.50 0.00 0.00 46.19 46.11 1q9c s LEU 103 CO 0.00 -0.01 -0.24 -1.20 -1.32 0.00 0.00 176.35 173.58 1q9c n SER 104 N 1.85 1.33 -4.65 3.68 7.64 -1.26 -4.99 113.62 117.22 1q9c n SER 104 Ca -0.19 0.23 -0.51 0.00 1.01 0.00 0.00 58.87 59.42 1q9c n SER 104 Cb 0.55 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1q9c n SER 104 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1q9c n LEU 105 N -3.85 2.48 -4.52 -3.43 4.32 -1.26 -4.79 117.00 105.95 1q9c n LEU 105 Ca -0.34 1.08 -0.42 0.00 -0.02 0.00 0.00 56.01 56.31 1q9c n LEU 105 Cb 0.72 -1.28 -0.06 0.00 -1.62 0.00 0.00 43.42 41.18 1q9c n LEU 105 CO 0.03 -0.56 1.97 -2.65 -1.22 0.00 0.00 177.39 174.96 1q9c n PRO 106 N 3.88 1.02 0.03 3.23 -0.02 -1.26 -4.82 135.00 137.06 1q9c n PRO 106 Ca 0.20 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.67 1q9c n PRO 106 Cb 0.23 -2.82 -0.14 0.00 -0.02 0.00 0.00 33.50 30.75 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 7.49 0.91 0.00 -1.45 3.04 -1.98 -2.81 116.25 121.45 1q9c h VAL 107 Ca -0.24 -2.62 0.00 0.00 -1.01 0.00 0.00 66.70 62.83 1q9c h VAL 107 Cb 1.29 2.61 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 1q9c h VAL 107 CO 1.13 0.78 0.00 -0.62 -1.01 0.00 0.00 177.57 177.84 1q9c n GLU 108 N -3.38 0.21 -0.01 4.17 1.02 -1.26 -0.59 120.64 120.80 1q9c n GLU 108 Ca -0.22 0.10 -0.01 0.00 -0.02 0.00 0.00 57.16 57.01 1q9c n GLU 108 Cb 1.05 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.96 1q9c n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1q9c n LYS 109 N -1.14 1.23 0.03 3.49 5.02 -1.25 -4.68 118.16 120.86 1q9c n LYS 109 Ca 0.06 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.21 1q9c n LYS 109 Cb 0.05 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1q9c n LYS 109 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1q9c h ILE 110 N 0.00 1.34 -0.20 -0.18 2.04 -1.23 -3.22 117.51 116.05 1q9c h ILE 110 Ca -0.03 -2.18 0.05 0.00 1.00 0.00 0.00 64.86 63.71 1q9c h ILE 110 Cb 1.05 2.18 -0.07 0.00 -0.74 0.00 0.00 36.82 39.24 1q9c h ILE 110 CO -0.00 0.67 -0.38 -0.74 0.00 0.00 0.00 178.15 177.69 1q9c h HIS 111 N 0.36 -1.08 0.25 1.37 2.76 -1.11 -1.66 115.15 116.04 1q9c h HIS 111 Ca -0.06 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1q9c h HIS 111 Cb 1.46 0.50 -0.02 0.00 1.55 0.00 0.00 27.41 30.91 1q9c h HIS 111 CO 0.07 -0.44 -0.24 -1.35 -1.30 0.00 0.00 177.93 174.67 1q9c h PRO 112 N -0.41 -0.49 -0.07 5.26 0.11 -1.80 -2.04 132.00 132.56 1q9c h PRO 112 Ca 0.10 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.27 1q9c h PRO 112 Cb 0.59 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 1q9c h PRO 112 CO -0.43 -0.33 0.39 -0.07 -0.21 0.00 0.00 178.00 177.35 1q9c h LEU 113 N -0.51 0.00 -0.53 2.35 3.38 -1.50 0.53 115.31 119.03 1q9c h LEU 113 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1q9c h LEU 113 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1q9c h LEU 113 CO -0.05 0.00 -0.35 -0.07 0.09 0.00 0.00 178.44 178.06 1q9c h LEU 114 N 0.00 0.86 0.00 1.67 3.38 -0.54 -2.21 115.31 118.47 1q9c h LEU 114 Ca 0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1q9c h LEU 114 Cb 0.81 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1q9c h LEU 114 CO -0.00 1.12 0.00 0.29 0.09 0.00 0.00 178.44 179.94 1q9c n LYS 115 N -4.06 0.10 -0.03 1.13 5.02 0.18 -0.75 118.16 119.75 1q9c n LYS 115 Ca -0.01 0.15 -0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1q9c n LYS 115 Cb 0.51 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 1q9c n LYS 115 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1q9c n GLU 116 N -1.17 1.46 0.12 1.97 2.13 -0.87 -3.44 120.64 120.84 1q9c n GLU 116 Ca 0.03 -0.05 -0.24 0.00 0.66 0.00 0.00 57.16 57.57 1q9c n GLU 116 Cb 0.03 -1.26 -0.16 0.00 0.27 0.00 0.00 31.44 30.32 1q9c n GLU 116 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1q9c h VAL 117 N 0.00 1.28 0.11 6.31 2.07 -0.48 -3.35 116.25 122.20 1q9c h VAL 117 Ca -0.15 -2.63 -0.27 0.00 0.82 0.00 0.00 66.70 64.46 1q9c h VAL 117 Cb 1.13 3.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1q9c h VAL 117 CO 0.01 0.79 -1.22 -0.07 0.02 0.00 0.00 177.57 177.10 1q9c h LEU 118 N 0.02 0.38 0.00 2.57 3.38 -1.46 -3.45 115.31 116.73 1q9c h LEU 118 Ca -0.25 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1q9c h LEU 118 Cb 2.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1q9c h LEU 118 CO 0.23 1.32 0.00 0.61 0.09 0.00 0.00 178.44 180.69 1q9c n GLY 119 N 1.51 0.90 3.60 0.83 0.00 -1.25 -5.06 105.19 105.71 1q9c n GLY 119 Ca -0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 -0.47 0.19 1.61 -0.85 -1.22 -5.03 117.35 109.58 1q9c s TYR 120 Ca 0.00 0.98 -0.31 0.00 -0.52 0.00 0.00 57.07 57.22 1q9c s TYR 120 Cb 0.00 0.40 -0.10 0.00 0.38 0.00 0.00 41.96 42.64 1q9c s TYR 120 CO 0.00 -0.33 1.55 0.15 -1.52 0.00 0.00 175.55 175.40 1q9c s LYS 121 N -0.48 4.22 0.22 -3.49 1.02 -1.26 -4.44 119.74 115.52 1q9c s LYS 121 Ca -0.01 2.37 0.09 0.00 0.02 0.00 0.00 55.97 58.45 1q9c s LYS 121 Cb -0.03 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.11 1q9c s LYS 121 CO -0.01 -0.58 -0.08 -1.50 -0.92 0.00 0.00 175.35 172.27 1q9c s ILE 122 N 0.87 3.18 0.57 2.17 2.07 -1.26 -5.05 121.20 123.75 1q9c s ILE 122 Ca 0.68 -1.82 -0.19 0.00 -1.41 0.00 0.00 60.65 57.91 1q9c s ILE 122 Cb -0.44 -2.63 -0.05 0.00 0.13 0.00 0.00 42.46 39.48 1q9c s ILE 122 CO 0.34 -0.22 1.15 -1.81 -1.91 0.00 0.00 174.94 172.50 1q9c s ASP 123 N -3.15 5.51 0.27 4.50 1.01 -1.26 -4.93 116.67 118.61 1q9c s ASP 123 Ca 0.27 2.23 -0.04 0.00 0.71 0.00 0.00 52.55 55.72 1q9c s ASP 123 Cb -0.08 -2.58 0.34 0.00 1.01 0.00 0.00 42.92 41.61 1q9c s ASP 123 CO 0.16 -1.37 1.94 -0.74 0.21 0.00 0.00 175.17 175.37 1q9c h HIS 124 N 1.02 1.16 -0.73 4.23 -0.00 -1.99 -2.50 115.15 116.34 1q9c h HIS 124 Ca -0.50 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1q9c h HIS 124 Cb 1.27 -0.39 -0.04 0.00 -0.00 0.00 0.00 27.41 28.26 1q9c h HIS 124 CO 0.50 0.74 0.46 0.37 -0.00 0.00 0.00 177.93 180.00 1q9c h GLN 125 N 1.24 0.97 -0.67 5.26 4.15 -1.99 -1.23 115.11 122.83 1q9c h GLN 125 Ca 0.33 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.64 1q9c h GLN 125 Cb -0.12 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.33 1q9c h GLN 125 CO -0.07 0.67 0.26 0.28 -1.93 0.00 0.00 178.83 178.04 1q9c h VAL 126 N 0.99 1.24 -0.08 2.39 2.07 -1.82 -0.44 116.25 120.61 1q9c h VAL 126 Ca 0.26 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1q9c h VAL 126 Cb -0.07 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1q9c h VAL 126 CO -0.05 0.30 0.05 0.28 0.02 0.00 0.00 177.57 178.16 1q9c h SER 127 N 0.94 0.08 -0.55 0.57 0.02 -1.08 -1.19 113.55 112.35 1q9c h SER 127 Ca 0.22 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 1q9c h SER 127 Cb 0.21 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 1q9c h SER 127 CO -0.02 0.06 0.29 0.58 -1.14 0.00 0.00 176.83 176.60 1q9c h VAL 128 N 0.10 0.97 -0.68 2.27 2.07 -0.94 -0.08 116.25 119.96 1q9c h VAL 128 Ca 0.03 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.40 1q9c h VAL 128 Cb -0.01 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 1q9c h VAL 128 CO -0.01 0.10 0.40 0.22 0.02 0.00 0.00 177.57 178.31 1q9c h TYR 129 N 0.56 0.75 0.31 1.57 3.20 -0.72 -0.15 116.97 122.49 1q9c h TYR 129 Ca 0.24 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1q9c h TYR 129 Cb 0.13 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1q9c h TYR 129 CO -0.09 0.40 -0.15 0.82 -1.64 0.00 0.00 178.16 177.50 1q9c h ILE 130 N 0.77 0.72 -0.95 1.81 2.04 -0.50 -2.44 117.51 118.97 1q9c h ILE 130 Ca 0.28 -0.39 0.16 0.00 1.00 0.00 0.00 64.86 65.91 1q9c h ILE 130 Cb 0.09 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 37.01 1q9c h ILE 130 CO -0.14 0.08 0.55 0.58 0.00 0.00 0.00 178.15 179.22 1q9c h VAL 131 N -0.62 0.76 -0.85 1.67 2.07 -0.82 0.31 116.25 118.77 1q9c h VAL 131 Ca -0.04 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1q9c h VAL 131 Cb 0.45 -0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1q9c h VAL 131 CO 0.07 0.14 0.51 0.00 0.02 0.00 0.00 177.57 178.31 1q9c h ALA 132 N 1.59 1.18 -0.08 1.67 0.00 -0.82 0.17 119.26 122.97 1q9c h ALA 132 Ca 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1q9c h ALA 132 Cb 0.72 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1q9c h ALA 132 CO -0.35 0.21 -0.06 0.28 0.00 0.00 0.00 179.25 179.34 1q9c h VAL 133 N 0.91 1.34 -1.00 0.00 2.07 -0.06 -2.40 116.25 117.11 1q9c h VAL 133 Ca 0.38 -1.14 0.13 0.00 0.82 0.00 0.00 66.70 66.89 1q9c h VAL 133 Cb 0.24 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.86 1q9c h VAL 133 CO -0.20 0.32 0.63 -0.07 0.02 0.00 0.00 177.57 178.27 1q9c h LEU 134 N -0.22 0.91 -0.35 2.57 3.38 0.08 -1.93 115.31 119.76 1q9c h LEU 134 Ca 0.02 0.05 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 1q9c h LEU 134 Cb 0.53 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1q9c h LEU 134 CO 0.02 0.47 -0.54 -0.08 0.09 0.00 0.00 178.44 178.39 1q9c h GLU 135 N 0.97 0.81 -0.31 1.13 4.81 -0.65 -2.33 114.58 119.01 1q9c h GLU 135 Ca 0.50 -0.51 0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1q9c h GLU 135 Cb 0.52 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1q9c h GLU 135 CO -0.27 1.14 -0.03 -0.92 -0.73 0.00 0.00 179.01 178.20 1q9c h TYR 136 N 0.62 -0.08 -0.58 0.92 3.20 -0.83 0.28 116.97 120.51 1q9c h TYR 136 Ca 0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1q9c h TYR 136 Cb 1.14 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 1q9c h TYR 136 CO 0.07 -0.09 0.06 0.82 -1.64 0.00 0.00 178.16 177.39 1q9c h ILE 137 N 0.05 1.25 -0.44 1.81 1.08 -1.50 -0.33 117.51 119.43 1q9c h ILE 137 Ca 0.15 -1.01 -0.00 0.00 -0.39 0.00 0.00 64.86 63.60 1q9c h ILE 137 Cb 0.21 0.74 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 1q9c h ILE 137 CO -0.27 0.37 0.27 0.28 -0.69 0.00 0.00 178.15 178.10 1q9c h SER 138 N 0.90 0.53 0.49 1.72 0.02 -0.71 -1.43 113.55 115.06 1q9c h SER 138 Ca 0.18 -0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 1q9c h SER 138 Cb 0.44 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1q9c h SER 138 CO 0.01 0.43 -0.49 0.00 -1.14 0.00 0.00 176.83 175.65 1q9c h ALA 139 N 1.12 1.20 -0.05 3.77 0.00 -0.20 -2.53 119.26 122.56 1q9c h ALA 139 Ca 0.16 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1q9c h ALA 139 Cb -0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1q9c h ALA 139 CO -0.03 0.61 -0.61 0.22 0.00 0.00 0.00 179.25 179.44 1q9c h ASP 140 N 0.00 0.20 0.05 0.00 1.82 -0.55 0.34 116.42 118.28 1q9c h ASP 140 Ca -0.00 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1q9c h ASP 140 Cb 0.86 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.81 1q9c h ASP 140 CO 0.06 0.76 -0.02 0.40 -1.61 0.00 0.00 179.24 178.83 1q9c h ILE 141 N 0.13 1.32 -0.72 2.25 2.04 -1.10 -2.38 117.51 119.05 1q9c h ILE 141 Ca -0.01 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.42 1q9c h ILE 141 Cb 1.11 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 39.37 1q9c h ILE 141 CO 0.09 0.34 0.29 -0.07 0.00 0.00 0.00 178.15 178.81 1q9c h LEU 142 N -0.70 0.97 -1.88 1.44 3.38 -1.49 0.69 115.31 117.72 1q9c h LEU 142 Ca -0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1q9c h LEU 142 Cb 0.61 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1q9c h LEU 142 CO 0.01 0.86 0.00 0.50 0.09 0.00 0.00 178.44 179.90 1q9c h LYS 143 N 1.04 0.08 0.00 1.13 3.64 -0.96 0.57 116.57 122.07 1q9c h LYS 143 Ca 0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1q9c h LYS 143 Cb 0.19 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1q9c h LYS 143 CO -0.02 0.08 -0.05 1.25 -2.27 0.00 0.00 179.45 178.44 1q9c h LEU 144 N 0.08 0.00 -0.71 5.20 5.85 -0.55 -3.14 115.31 122.04 1q9c h LEU 144 Ca 0.02 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.90 1q9c h LEU 144 Cb 0.05 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 40.96 1q9c h LEU 144 CO 0.00 0.26 0.05 0.00 -0.34 0.00 0.00 178.44 178.41 1q9c h ALA 145 N -1.53 0.77 -0.79 1.25 0.00 0.36 0.23 119.26 119.56 1q9c h ALA 145 Ca 0.00 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1q9c h ALA 145 Cb 0.05 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1q9c h ALA 145 CO 0.00 -0.39 0.45 0.78 0.00 0.00 0.00 179.25 180.08 1q9c h GLY 146 N 0.15 1.21 1.39 0.00 0.00 -0.02 -0.60 103.07 105.20 1q9c h GLY 146 Ca 0.39 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1q9c h GLY 146 CO -0.58 0.13 -0.10 -0.57 0.00 0.00 0.00 176.54 175.42 1q9c h ASN 147 N 0.76 0.71 -0.06 0.19 -1.24 -0.58 -2.05 115.58 113.31 1q9c h ASN 147 Ca 0.38 -0.20 0.02 0.00 0.71 0.00 0.00 56.30 57.20 1q9c h ASN 147 Cb 0.33 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 1q9c h ASN 147 CO -0.24 0.84 -0.03 0.22 -1.29 0.00 0.00 177.43 176.93 1q9c h TYR 148 N 0.66 -0.08 -0.09 0.67 3.20 0.41 -1.77 116.97 119.98 1q9c h TYR 148 Ca 0.12 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1q9c h TYR 148 Cb 0.55 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.81 1q9c h TYR 148 CO 0.03 -0.05 -0.33 0.28 -1.64 0.00 0.00 178.16 176.44 1q9c h VAL 149 N -0.03 0.28 -0.75 1.81 2.07 -0.94 -1.86 116.25 116.83 1q9c h VAL 149 Ca 0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.72 1q9c h VAL 149 Cb 0.08 0.28 -0.14 0.00 -1.52 0.00 0.00 31.29 30.00 1q9c h VAL 149 CO -0.08 0.00 -0.09 -0.09 0.02 0.00 0.00 177.57 177.32 1q9c h ARG 150 N -0.43 0.04 -0.65 1.57 2.43 -0.98 -0.01 114.38 116.36 1q9c h ARG 150 Ca 0.08 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1q9c h ARG 150 Cb 0.56 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.05 1q9c h ARG 150 CO -0.33 0.03 0.38 -0.97 -1.51 0.00 0.00 179.97 177.57 1q9c h ASN 151 N 0.04 0.60 0.05 -3.80 -1.24 -0.51 -2.29 115.58 108.44 1q9c h ASN 151 Ca 0.39 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.41 1q9c h ASN 151 Cb 0.65 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.59 1q9c h ASN 151 CO -0.72 0.40 -0.04 2.30 -1.29 0.00 0.00 177.43 178.08 1q9c n ILE 152 N -4.75 0.00 -2.55 2.57 -5.35 -0.47 -4.99 119.36 103.82 1q9c n ILE 152 Ca 0.07 -0.17 -0.06 0.00 -0.27 0.00 0.00 62.75 62.32 1q9c n ILE 152 Cb 0.13 0.26 0.01 0.00 -1.74 0.00 0.00 39.64 38.29 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 -0.24 -2.00 0.00 6.28 5.12 -0.14 -5.02 116.66 120.67 1q9c n ARG 153 Ca 0.19 1.85 0.00 0.00 -1.93 0.00 0.00 57.85 57.96 1q9c n ARG 153 Cb 0.30 -4.76 0.00 0.00 -1.16 0.00 0.00 32.46 26.84 1q9c n ARG 153 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1q9c n HIS 154 N -0.23 0.00 -0.85 -1.55 8.25 -1.18 -5.03 115.22 114.63 1q9c n HIS 154 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1q9c n HIS 154 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1q9c n HIS 154 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1q9c n TYR 155 N -1.22 0.00 -3.75 4.41 4.02 -1.26 -4.95 117.16 114.40 1q9c n TYR 155 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1q9c n TYR 155 Cb 0.15 -1.05 -0.14 0.00 -0.02 0.00 0.00 39.34 38.28 1q9c n TYR 155 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1q9c s GLU 156 N -0.90 0.14 -0.71 -0.72 2.12 -1.26 0.16 118.70 117.52 1q9c s GLU 156 Ca 0.00 0.38 -0.19 0.00 0.36 0.00 0.00 54.97 55.52 1q9c s GLU 156 Cb 0.00 -0.12 0.12 0.00 0.26 0.00 0.00 34.13 34.39 1q9c s GLU 156 CO 0.00 -0.14 0.85 0.42 -0.54 0.00 0.00 175.26 175.85 1q9c s ILE 157 N 1.00 4.80 0.69 -3.70 1.01 -1.17 -4.93 121.20 118.90 1q9c s ILE 157 Ca -0.08 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 1q9c s ILE 157 Cb -0.09 -4.59 0.02 0.00 0.01 0.00 0.00 42.46 37.81 1q9c s ILE 157 CO -0.05 -1.26 1.06 -0.89 0.00 0.00 0.00 174.94 173.79 1q9c s THR 158 N 2.64 3.27 0.19 2.92 2.01 -1.26 -4.15 115.64 121.26 1q9c s THR 158 Ca 0.19 0.27 -0.12 0.00 0.31 0.00 0.00 61.69 62.33 1q9c s THR 158 Cb -0.17 -3.38 0.09 0.00 0.01 0.00 0.00 72.50 69.05 1q9c s THR 158 CO 0.02 -0.48 1.77 0.50 -0.69 0.00 0.00 174.62 175.74 1q9c h LYS 159 N -0.59 0.44 -0.02 4.92 3.64 -1.89 -2.51 116.57 120.56 1q9c h LYS 159 Ca -0.45 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1q9c h LYS 159 Cb 1.27 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1q9c h LYS 159 CO 0.63 0.29 -0.05 1.96 -2.27 0.00 0.00 179.45 180.01 1q9c h GLN 160 N 0.46 -0.08 -1.23 1.90 1.08 -1.98 -1.53 115.11 113.72 1q9c h GLN 160 Ca 0.24 0.01 0.35 0.00 -1.45 0.00 0.00 58.65 57.80 1q9c h GLN 160 Cb 0.21 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.59 1q9c h GLN 160 CO -0.20 -0.06 0.86 -0.44 -0.95 0.00 0.00 178.83 178.04 1q9c h ASP 161 N -0.09 0.10 0.02 1.46 3.32 -1.83 0.18 116.42 119.58 1q9c h ASP 161 Ca 0.03 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1q9c h ASP 161 Cb 0.13 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1q9c h ASP 161 CO -0.08 0.00 -0.01 0.40 -1.72 0.00 0.00 179.24 177.84 1q9c h ILE 162 N 0.08 1.45 -0.80 0.35 2.04 -1.10 -1.26 117.51 118.26 1q9c h ILE 162 Ca 0.61 -1.90 0.16 0.00 1.00 0.00 0.00 64.86 64.73 1q9c h ILE 162 Cb 2.26 2.65 -0.10 0.00 -0.74 0.00 0.00 36.82 40.89 1q9c h ILE 162 CO -0.09 0.46 0.34 0.11 0.00 0.00 0.00 178.15 178.97 1q9c h LYS 163 N -0.91 0.46 0.20 2.37 1.57 0.11 -2.45 116.57 117.91 1q9c h LYS 163 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1q9c h LYS 163 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1q9c h LYS 163 CO 0.00 0.30 -0.10 0.28 -0.57 0.00 0.00 179.45 179.37 1q9c h VAL 164 N 0.47 0.82 0.00 0.50 2.07 -0.89 -2.45 116.25 116.78 1q9c h VAL 164 Ca 0.45 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1q9c h VAL 164 Cb 0.71 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1q9c h VAL 164 CO -0.42 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.36 1q9c n ALA 165 N -2.53 0.32 0.00 1.67 0.00 -0.48 -1.86 120.51 117.63 1q9c n ALA 165 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1q9c n ALA 165 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1q9c n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1q9c h ALA 168 N 0.00 1.00 -2.29 0.00 0.00 -1.67 -3.41 119.26 112.89 1q9c h ALA 168 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1q9c h ALA 168 Cb 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.60 1q9c h ALA 168 CO 0.00 0.00 -0.14 0.34 0.00 0.00 0.00 179.25 179.45 1q9c s ASP 169 N -5.18 6.21 0.10 0.00 -1.08 -1.17 -4.96 116.67 110.58 1q9c s ASP 169 Ca 0.05 -0.77 -0.26 0.00 -0.52 0.00 0.00 52.55 51.04 1q9c s ASP 169 Cb 0.09 -2.24 -0.12 0.00 -1.46 0.00 0.00 42.92 39.18 1q9c s ASP 169 CO 0.53 -0.67 1.68 0.11 0.52 0.00 0.00 175.17 177.34 1q9c h LYS 170 N 8.80 -0.35 0.00 4.34 1.57 -1.94 -3.29 116.57 125.70 1q9c h LYS 170 Ca -0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1q9c h LYS 170 Cb 1.11 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1q9c h LYS 170 CO 0.85 -0.23 0.00 0.28 -0.57 0.00 0.00 179.45 179.77 1q9c n VAL 171 N -5.29 0.00 0.00 0.50 0.31 -1.26 0.14 118.33 112.73 1q9c n VAL 171 Ca -0.08 1.47 0.00 0.00 -0.01 0.00 0.00 64.34 65.72 1q9c n VAL 171 Cb 0.20 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 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 -2.74 0.00 -0.94 7.52 4.77 -1.24 -4.74 117.00 119.64 1q9c n LEU 172 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1q9c n LEU 172 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1q9c n LEU 172 CO 0.00 0.00 -0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1q9c n ASP 174 N 0.74 -0.20 0.00 -1.43 2.03 0.37 -4.58 116.55 113.49 1q9c n ASP 174 Ca 0.00 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1q9c n ASP 174 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 1q9c n ASP 174 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1q9c n PHE 176 N -0.50 0.00 -1.83 -0.67 3.01 -1.26 -4.99 117.46 111.21 1q9c n PHE 176 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.25 1q9c n PHE 176 Cb 0.09 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.49 1q9c n PHE 176 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1q9c s HIS 177 N 0.00 1.55 0.00 1.38 2.46 -1.26 -2.25 115.29 117.17 1q9c s HIS 177 Ca 0.00 1.35 0.00 0.00 0.47 0.00 0.00 55.06 56.88 1q9c s HIS 177 Cb 0.00 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.75 1q9c s HIS 177 CO 0.00 -1.21 0.00 0.00 -2.47 0.00 0.00 174.74 171.06 1q9c n GLN 178 N 8.46 0.00 0.00 2.88 10.64 -1.26 -4.94 117.38 133.16 1q9c n GLN 178 Ca 0.43 0.00 0.06 0.00 -1.83 0.00 0.00 57.00 55.66 1q9c n GLN 178 Cb 0.46 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.85 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 1.43 -4.75 2.61 8.00 -0.95 -5.00 116.55 117.90 1q9c n ASP 179 Ca 0.00 -1.22 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 1q9c n ASP 179 Cb 0.00 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1q9c n ASP 179 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q9c s VAL 180 N -1.43 3.76 -0.09 2.53 1.01 -1.20 -4.96 120.40 120.03 1q9c s VAL 180 Ca 0.10 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.47 1q9c s VAL 180 Cb 0.09 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1q9c s VAL 180 CO 0.27 0.33 0.73 -0.70 0.00 0.00 0.00 175.10 175.73 1q9c s GLU 181 N -0.83 4.40 0.54 2.72 2.12 -1.26 -5.03 118.70 121.36 1q9c s GLU 181 Ca 0.47 0.90 -0.22 0.00 0.36 0.00 0.00 54.97 56.48 1q9c s GLU 181 Cb -0.30 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 1q9c s GLU 181 CO 0.37 -0.03 1.37 -0.51 -0.54 0.00 0.00 175.26 175.92 1q9c s ASP 182 N 0.90 5.29 0.00 -1.70 1.01 -1.26 -5.01 116.67 115.90 1q9c s ASP 182 Ca 0.38 2.79 0.23 0.00 0.71 0.00 0.00 52.55 56.66 1q9c s ASP 182 Cb -0.18 -2.64 1.39 0.00 1.01 0.00 0.00 42.92 42.51 1q9c s ASP 182 CO 0.17 -1.56 1.76 -0.38 0.21 0.00 0.00 175.17 175.37