#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7c s LEU 2 N 0.00 4.28 0.75 6.55 1.43 -1.26 -5.01 118.68 125.43 1y7c s LEU 2 Ca 0.00 2.06 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1y7c s LEU 2 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1y7c s LEU 2 CO 0.00 -0.82 1.09 -0.94 0.23 0.00 0.00 176.35 175.90 1y7c s SER 3 N 2.56 4.65 0.33 2.29 1.04 -1.26 -4.86 113.70 118.45 1y7c s SER 3 Ca 0.66 0.58 0.06 0.00 0.48 0.00 0.00 55.95 57.73 1y7c s SER 3 Cb -0.30 -1.15 0.58 0.00 0.10 0.00 0.00 66.02 65.26 1y7c s SER 3 CO 0.25 -1.75 1.81 -0.65 0.98 0.00 0.00 173.24 173.88 1y7c h PRO 4 N -0.80 0.34 -0.49 4.02 0.11 -1.99 -0.20 132.00 132.98 1y7c h PRO 4 Ca -0.45 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.51 1y7c h PRO 4 Cb 1.32 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1y7c h PRO 4 CO 0.62 0.54 0.14 0.00 -0.21 0.00 0.00 178.00 179.09 1y7c h ALA 5 N 1.48 0.65 0.04 -0.75 0.00 -1.99 -1.61 119.26 117.08 1y7c h ALA 5 Ca 0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1y7c h ALA 5 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1y7c h ALA 5 CO 0.04 0.32 -0.12 -0.44 0.00 0.00 0.00 179.25 179.06 1y7c h ASP 6 N 0.67 -0.32 -0.86 0.00 3.32 -1.78 0.24 116.42 117.69 1y7c h ASP 6 Ca 0.16 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.29 1y7c h ASP 6 Cb 0.30 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1y7c h ASP 6 CO -0.00 -0.17 0.57 0.11 -1.72 0.00 0.00 179.24 178.02 1y7c h LYS 7 N -0.22 1.03 0.10 3.56 1.57 -0.83 0.21 116.57 122.00 1y7c h LYS 7 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1y7c h LYS 7 Cb 0.25 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1y7c h LYS 7 CO -0.08 0.68 -0.05 1.15 -0.57 0.00 0.00 179.45 180.58 1y7c h THR 8 N 1.06 1.03 -0.54 -0.16 2.02 -0.82 0.74 112.91 116.24 1y7c h THR 8 Ca 0.34 -0.51 0.08 0.00 0.77 0.00 0.00 66.41 67.10 1y7c h THR 8 Cb 0.04 1.35 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 1y7c h THR 8 CO -0.10 0.12 0.18 0.78 0.37 0.00 0.00 175.52 176.87 1y7c h ASN 9 N -0.38 0.15 -0.09 4.18 2.35 0.09 0.10 115.58 121.99 1y7c h ASN 9 Ca -0.01 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1y7c h ASN 9 Cb 0.31 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1y7c h ASN 9 CO 0.02 0.10 0.01 0.58 -1.65 0.00 0.00 177.43 176.50 1y7c h VAL 10 N 0.34 1.22 -0.25 2.81 2.07 -0.46 -1.18 116.25 120.80 1y7c h VAL 10 Ca 0.27 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1y7c h VAL 10 Cb 0.33 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1y7c h VAL 10 CO -0.29 0.20 0.01 0.11 0.02 0.00 0.00 177.57 177.61 1y7c h LYS 11 N -0.08 0.37 0.33 1.57 1.57 -0.52 -1.74 116.57 118.07 1y7c h LYS 11 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1y7c h LYS 11 Cb 0.30 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1y7c h LYS 11 CO 0.00 0.39 -0.16 0.00 -0.57 0.00 0.00 179.45 179.11 1y7c h ALA 12 N 1.66 -1.00 -0.56 3.86 0.00 -0.59 -1.28 119.26 121.34 1y7c h ALA 12 Ca 0.08 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1y7c h ALA 12 Cb 0.23 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.08 1y7c h ALA 12 CO 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 179.25 178.06 1y7c h ALA 13 N -1.75 0.19 0.00 0.00 0.00 -1.16 -0.16 119.26 116.39 1y7c h ALA 13 Ca -0.05 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1y7c h ALA 13 Cb 0.34 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1y7c h ALA 13 CO 0.08 -0.54 -0.23 2.35 0.00 0.00 0.00 179.25 180.90 1y7c h TRP 14 N -0.09 0.00 -0.76 0.00 2.91 -1.41 -2.69 115.95 113.92 1y7c h TRP 14 Ca 0.26 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.24 1y7c h TRP 14 Cb 0.49 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.11 1y7c h TRP 14 CO -0.54 0.23 0.34 0.78 -1.03 0.00 0.00 178.44 178.23 1y7c h GLY 15 N 1.13 1.19 1.10 2.65 0.00 0.22 -2.50 103.07 106.86 1y7c h GLY 15 Ca -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 1y7c h GLY 15 CO 0.03 0.58 0.25 0.50 0.00 0.00 0.00 176.54 177.90 1y7c h LYS 16 N 1.08 1.13 -0.22 4.80 1.79 -1.19 -3.13 116.57 120.82 1y7c h LYS 16 Ca 0.26 -0.23 0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1y7c h LYS 16 Cb 0.15 -0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 30.56 1y7c h LYS 16 CO -0.03 0.95 -0.26 0.28 -1.08 0.00 0.00 179.45 179.31 1y7c h VAL 17 N 1.09 0.37 0.00 0.50 2.07 -1.25 -3.46 116.25 115.58 1y7c h VAL 17 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1y7c h VAL 17 Cb 0.27 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1y7c h VAL 17 CO -0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.19 1y7c n GLY 18 N -1.38 2.74 0.00 2.17 0.00 -1.19 -2.20 105.19 105.33 1y7c n GLY 18 Ca -0.01 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1y7c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7c n ALA 19 N 8.69 1.60 0.87 4.61 0.00 -1.26 -2.29 120.51 132.73 1y7c n ALA 19 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1y7c n ALA 19 Cb 0.00 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.34 1y7c n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y7c n HIS 20 N -0.88 0.00 -0.32 0.00 8.25 -0.93 -4.59 115.22 116.74 1y7c n HIS 20 Ca 0.02 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.68 1y7c n HIS 20 Cb 0.01 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.52 1y7c n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y7c h ALA 21 N 2.82 1.62 -0.09 -1.41 0.00 -1.60 0.15 119.26 120.75 1y7c h ALA 21 Ca 0.00 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1y7c h ALA 21 Cb 0.50 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1y7c h ALA 21 CO 0.00 -0.62 0.05 0.78 0.00 0.00 0.00 179.25 179.45 1y7c h GLY 22 N 0.15 0.13 1.46 0.00 0.00 -1.85 0.46 103.07 103.43 1y7c h GLY 22 Ca 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.89 1y7c h GLY 22 CO -0.72 0.06 0.05 0.83 0.00 0.00 0.00 176.54 176.75 1y7c h GLU 23 N 0.05 0.67 -0.02 4.80 5.08 -1.34 -1.68 114.58 122.13 1y7c h GLU 23 Ca 0.03 -0.14 -0.21 0.00 -1.00 0.00 0.00 59.36 58.04 1y7c h GLU 23 Cb 0.08 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1y7c h GLU 23 CO -0.00 0.65 -0.86 1.88 -1.00 0.00 0.00 179.01 179.67 1y7c h TYR 24 N 0.64 0.54 0.80 4.33 -1.99 -0.98 -0.56 116.97 119.75 1y7c h TYR 24 Ca 0.14 -0.28 -0.04 0.00 2.00 0.00 0.00 58.73 60.55 1y7c h TYR 24 Cb 0.33 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 38.99 1y7c h TYR 24 CO 0.01 1.08 -0.46 0.78 -0.00 0.00 0.00 178.16 179.57 1y7c h GLY 25 N 1.34 -1.30 -0.11 3.88 0.00 0.58 -1.16 103.07 106.29 1y7c h GLY 25 Ca -0.06 0.52 0.21 0.00 0.00 0.00 0.00 47.33 48.00 1y7c h GLY 25 CO 0.15 -0.45 0.45 0.00 0.00 0.00 0.00 176.54 176.69 1y7c h ALA 26 N -1.27 1.49 -0.46 3.60 0.00 -1.34 -1.33 119.26 119.96 1y7c h ALA 26 Ca -0.11 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1y7c h ALA 26 Cb 0.93 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1y7c h ALA 26 CO 0.13 -0.28 -0.23 1.49 0.00 0.00 0.00 179.25 180.36 1y7c h GLU 27 N 0.48 0.94 -0.63 0.00 4.81 -0.87 -0.63 114.58 118.69 1y7c h GLU 27 Ca 0.56 -0.40 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1y7c h GLU 27 Cb 1.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 1y7c h GLU 27 CO -0.49 1.07 0.07 0.00 -0.73 0.00 0.00 179.01 178.93 1y7c h ALA 28 N 0.92 0.94 -0.08 2.92 0.00 -0.42 -0.92 119.26 122.62 1y7c h ALA 28 Ca 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1y7c h ALA 28 Cb 0.80 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1y7c h ALA 28 CO 0.07 0.65 0.00 -0.07 0.00 0.00 0.00 179.25 179.90 1y7c h LEU 29 N 0.97 0.13 -1.17 0.00 3.38 -1.06 -2.24 115.31 115.33 1y7c h LEU 29 Ca 0.19 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1y7c h LEU 29 Cb 0.46 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1y7c h LEU 29 CO 0.02 0.40 0.58 -0.08 0.09 0.00 0.00 178.44 179.45 1y7c h GLU 30 N -0.14 0.91 0.00 1.13 4.81 -0.94 -0.72 114.58 119.64 1y7c h GLU 30 Ca 0.02 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1y7c h GLU 30 Cb 0.33 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1y7c h GLU 30 CO 0.00 0.60 -0.42 0.00 -0.73 0.00 0.00 179.01 178.46 1y7c h ARG 31 N 0.94 0.00 -0.11 1.92 3.08 -1.07 -2.98 114.38 116.16 1y7c h ARG 31 Ca 0.41 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.36 1y7c h ARG 31 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1y7c h ARG 31 CO -0.17 0.42 -0.32 1.98 -1.07 0.00 0.00 179.97 180.81 1y7c h MET 32 N 0.00 0.41 -0.61 0.04 4.05 -0.54 -2.01 114.93 116.27 1y7c h MET 32 Ca -0.00 -0.30 0.04 0.00 -0.28 0.00 0.00 59.70 59.16 1y7c h MET 32 Cb 0.99 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 1y7c h MET 32 CO 0.06 0.91 0.35 0.74 0.23 0.00 0.00 176.91 179.20 1y7c h PHE 33 N -0.02 0.65 -0.11 1.39 0.04 -1.32 0.59 116.94 118.15 1y7c h PHE 33 Ca -0.01 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.57 1y7c h PHE 33 Cb 0.94 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.90 1y7c h PHE 33 CO 0.11 0.34 -0.77 -0.07 -0.60 0.00 0.00 178.31 177.32 1y7c h LEU 34 N 0.67 0.88 0.11 1.54 3.38 -1.59 -3.19 115.31 117.11 1y7c h LEU 34 Ca 0.26 -0.65 -0.29 0.00 0.09 0.00 0.00 57.88 57.28 1y7c h LEU 34 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1y7c h LEU 34 CO -0.14 1.39 -1.42 0.28 0.09 0.00 0.00 178.44 178.65 1y7c h SER 35 N 0.42 0.37 -2.70 -0.43 0.02 -1.15 -3.41 113.55 106.68 1y7c h SER 35 Ca -0.06 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.81 1y7c h SER 35 Cb 1.41 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.43 1y7c h SER 35 CO 0.16 1.38 -0.79 -0.36 -1.14 0.00 0.00 176.83 176.08 1y7c s PHE 36 N -2.63 2.22 -0.04 3.45 0.40 0.20 -4.98 117.98 116.59 1y7c s PHE 36 Ca -0.07 -2.79 0.28 0.00 -0.60 0.00 0.00 56.93 53.76 1y7c s PHE 36 Cb 0.07 -1.73 1.43 0.00 0.51 0.00 0.00 43.02 43.30 1y7c s PHE 36 CO 0.86 -0.70 1.86 -1.00 0.70 0.00 0.00 175.22 176.94 1y7c h PRO 37 N 5.53 0.00 0.00 0.24 0.13 -1.71 -0.28 132.00 135.91 1y7c h PRO 37 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1y7c h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1y7c h PRO 37 CO 0.53 0.00 -0.10 1.79 -0.23 0.00 0.00 178.00 179.99 1y7c h THR 38 N 0.00 0.51 0.00 1.56 1.35 -1.91 -1.86 112.91 112.56 1y7c h THR 38 Ca 0.00 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1y7c h THR 38 Cb 0.13 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 1y7c h THR 38 CO 0.00 0.10 -0.01 0.71 -0.25 0.00 0.00 175.52 176.07 1y7c h THR 39 N 0.00 0.04 0.00 6.82 1.35 -1.36 -2.61 112.91 117.15 1y7c h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1y7c h THR 39 Cb 0.31 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1y7c h THR 39 CO 0.01 0.01 0.00 0.11 -0.25 0.00 0.00 175.52 175.41 1y7c h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -3.13 116.57 118.23 1y7c h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y7c h LYS 40 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1y7c h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1y7c h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.64 0.35 112.91 112.80 1y7c h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y7c h THR 41 Cb 0.44 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1y7c h THR 41 CO 0.00 0.00 -0.19 -1.22 -0.25 0.00 0.00 175.52 173.86 1y7c n TYR 42 N -2.81 0.00 -2.43 4.73 4.01 -1.18 -4.21 117.16 115.27 1y7c n TYR 42 Ca -0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1y7c n TYR 42 Cb 0.06 -0.07 0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1y7c n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y7c n PHE 43 N -0.30 2.08 0.06 -0.72 3.01 0.11 -4.89 117.46 116.82 1y7c n PHE 43 Ca 0.14 -2.28 0.20 0.00 1.01 0.00 0.00 57.45 56.52 1y7c n PHE 43 Cb 0.37 -0.28 0.73 0.00 -0.01 0.00 0.00 39.48 40.29 1y7c n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y7c h PRO 44 N 2.43 0.00 -0.09 -1.08 0.13 -1.73 0.05 132.00 131.71 1y7c h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1y7c h PRO 44 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1y7c h PRO 44 CO 0.51 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.89 1y7c n HIS 45 N -4.11 0.11 -4.08 1.56 1.44 -1.26 -4.88 115.22 104.01 1y7c n HIS 45 Ca 0.08 -0.05 -0.23 0.00 -2.01 0.00 0.00 57.72 55.50 1y7c n HIS 45 Cb 0.56 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.63 1y7c n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y7c s PHE 46 N -1.89 3.19 -0.60 -1.40 2.99 0.00 -5.07 117.98 115.20 1y7c s PHE 46 Ca 0.34 -0.07 -0.20 0.00 0.00 0.00 0.00 56.93 57.01 1y7c s PHE 46 Cb 0.18 -1.46 0.09 0.00 0.00 0.00 0.00 43.02 41.83 1y7c s PHE 46 CO 0.28 0.51 0.74 0.34 -0.00 0.00 0.00 175.22 177.09 1y7c s ASP 47 N -3.67 6.19 -0.01 1.36 2.15 -1.26 -4.93 116.67 116.49 1y7c s ASP 47 Ca 0.33 -1.30 0.06 0.00 0.43 0.00 0.00 52.55 52.06 1y7c s ASP 47 Cb -0.09 -2.32 0.18 0.00 -0.30 0.00 0.00 42.92 40.40 1y7c s ASP 47 CO 0.25 -1.15 1.09 0.18 -0.17 0.00 0.00 175.17 175.36 1y7c n LEU 48 N 6.57 1.30 -4.76 -1.34 4.77 -1.26 -4.47 117.00 117.81 1y7c n LEU 48 Ca -0.08 -0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 54.91 1y7c n LEU 48 Cb 0.43 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 1y7c n LEU 48 CO 0.59 0.28 0.76 -0.94 -1.33 0.00 0.00 177.39 176.75 1y7c s SER 49 N -0.84 4.85 0.21 -1.43 1.04 -1.26 -4.92 113.70 111.36 1y7c s SER 49 Ca 0.14 2.12 -0.32 0.00 0.48 0.00 0.00 55.95 58.37 1y7c s SER 49 Cb 0.08 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.51 1y7c s SER 49 CO 0.08 -1.81 1.69 1.57 0.98 0.00 0.00 173.24 175.76 1y7c n HIS 50 N -2.44 2.71 -1.00 5.02 -0.00 -1.26 -1.80 115.22 116.44 1y7c n HIS 50 Ca 0.11 0.09 -0.00 0.00 0.46 0.00 0.00 57.72 58.38 1y7c n HIS 50 Cb 0.51 -2.65 -0.00 0.00 -0.12 0.00 0.00 29.99 27.73 1y7c n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y7c n GLY 51 N 3.70 0.46 3.75 1.57 0.00 -1.26 -5.00 105.19 108.41 1y7c n GLY 51 Ca 0.15 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1y7c n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y7c s SER 52 N -2.33 6.58 0.45 1.61 1.04 -0.75 -4.90 113.70 115.41 1y7c s SER 52 Ca 0.00 2.76 0.21 0.00 0.48 0.00 0.00 55.95 59.39 1y7c s SER 52 Cb 0.00 -2.63 1.09 0.00 0.10 0.00 0.00 66.02 64.58 1y7c s SER 52 CO 0.00 -0.75 1.95 0.00 0.98 0.00 0.00 173.24 175.42 1y7c h ALA 53 N 4.75 1.33 -0.30 5.32 0.00 -1.90 -0.47 119.26 127.99 1y7c h ALA 53 Ca -0.47 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1y7c h ALA 53 Cb 1.22 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1y7c h ALA 53 CO 0.76 0.28 -0.05 1.96 0.00 0.00 0.00 179.25 182.21 1y7c h GLN 54 N 0.00 0.57 -0.68 0.00 4.20 -1.90 -0.14 115.11 117.16 1y7c h GLN 54 Ca -0.00 -0.21 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1y7c h GLN 54 Cb 0.49 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 1y7c h GLN 54 CO 0.03 0.74 0.11 0.28 -0.67 0.00 0.00 178.83 179.33 1y7c h VAL 55 N 0.34 1.26 0.19 -0.54 2.07 -1.55 -1.76 116.25 116.27 1y7c h VAL 55 Ca 0.08 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1y7c h VAL 55 Cb 0.52 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1y7c h VAL 55 CO 0.02 0.39 -0.09 0.11 0.02 0.00 0.00 177.57 178.02 1y7c h LYS 56 N 1.04 -0.25 -0.46 1.57 1.57 -1.00 -0.70 116.57 118.34 1y7c h LYS 56 Ca 0.21 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1y7c h LYS 56 Cb 0.44 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.75 1y7c h LYS 56 CO 0.01 0.00 0.16 0.78 -0.57 0.00 0.00 179.45 179.83 1y7c h GLY 57 N -0.48 0.60 1.72 3.86 0.00 -0.95 -0.80 103.07 107.02 1y7c h GLY 57 Ca -0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 1y7c h GLY 57 CO 0.04 0.01 -0.04 0.84 0.00 0.00 0.00 176.54 177.39 1y7c h HIS 58 N 0.33 0.36 -0.48 5.60 -0.00 -1.21 -2.19 115.15 117.56 1y7c h HIS 58 Ca 0.22 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.50 1y7c h HIS 58 Cb 0.22 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1y7c h HIS 58 CO -0.16 0.40 0.06 0.78 -0.00 0.00 0.00 177.93 179.01 1y7c h GLY 59 N 0.72 0.86 0.63 5.26 0.00 0.18 -2.28 103.07 108.43 1y7c h GLY 59 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 47.33 46.83 1y7c h GLY 59 CO 0.01 0.55 -0.15 1.70 0.00 0.00 0.00 176.54 178.65 1y7c h LYS 60 N 0.67 -0.25 -0.43 4.80 3.64 -0.59 -1.68 116.57 122.72 1y7c h LYS 60 Ca 0.14 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1y7c h LYS 60 Cb 0.42 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 1y7c h LYS 60 CO 0.01 -0.17 -0.10 0.87 -2.27 0.00 0.00 179.45 177.80 1y7c h LYS 61 N -0.26 0.01 -0.41 1.90 1.57 -1.28 0.33 116.57 118.43 1y7c h LYS 61 Ca 0.05 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1y7c h LYS 61 Cb 0.32 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1y7c h LYS 61 CO -0.15 0.01 0.02 0.28 -0.57 0.00 0.00 179.45 179.04 1y7c h VAL 62 N 0.01 1.25 0.19 0.50 2.07 -1.27 -2.26 116.25 116.75 1y7c h VAL 62 Ca 0.21 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1y7c h VAL 62 Cb 0.31 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1y7c h VAL 62 CO -0.43 0.33 -0.09 0.00 0.02 0.00 0.00 177.57 177.40 1y7c h ALA 63 N 0.90 -0.25 -0.88 1.67 0.00 -0.84 -1.54 119.26 118.31 1y7c h ALA 63 Ca 0.12 -0.07 0.14 0.00 0.00 0.00 0.00 54.91 55.10 1y7c h ALA 63 Cb 0.44 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1y7c h ALA 63 CO 0.02 -0.62 0.48 -0.44 0.00 0.00 0.00 179.25 178.69 1y7c h ASP 64 N -0.29 0.63 -0.09 0.00 5.19 -0.30 -0.10 116.42 121.45 1y7c h ASP 64 Ca -0.03 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 1y7c h ASP 64 Cb 0.22 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1y7c h ASP 64 CO 0.04 0.28 -0.26 0.00 -3.12 0.00 0.00 179.24 176.18 1y7c h ALA 65 N 1.55 1.03 -0.69 3.45 0.00 -1.05 -2.44 119.26 121.11 1y7c h ALA 65 Ca 0.47 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1y7c h ALA 65 Cb 0.62 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1y7c h ALA 65 CO -0.34 0.58 0.27 -0.07 0.00 0.00 0.00 179.25 179.69 1y7c h LEU 66 N 0.48 0.95 0.38 0.00 3.38 -0.02 -0.57 115.31 119.91 1y7c h LEU 66 Ca 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1y7c h LEU 66 Cb 0.71 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1y7c h LEU 66 CO 0.05 0.87 -0.26 0.74 0.09 0.00 0.00 178.44 179.93 1y7c h THR 67 N 0.98 0.45 -0.50 0.22 2.02 -1.23 0.22 112.91 115.07 1y7c h THR 67 Ca 0.23 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.47 1y7c h THR 67 Cb 0.22 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1y7c h THR 67 CO -0.02 0.00 0.34 -1.13 0.37 0.00 0.00 175.52 175.08 1y7c h ASN 68 N -0.63 0.38 -0.06 4.18 -1.24 -1.31 0.21 115.58 117.11 1y7c h ASN 68 Ca -0.03 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.77 1y7c h ASN 68 Cb 0.53 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1y7c h ASN 68 CO 0.02 0.25 -0.73 0.00 -1.29 0.00 0.00 177.43 175.68 1y7c h ALA 69 N 1.73 0.42 -0.44 1.57 0.00 -0.28 -2.08 119.26 120.18 1y7c h ALA 69 Ca 0.22 -0.59 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1y7c h ALA 69 Cb 0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1y7c h ALA 69 CO -0.06 0.70 -0.14 0.28 0.00 0.00 0.00 179.25 180.04 1y7c h VAL 70 N 0.49 1.27 0.00 0.00 2.07 0.15 -1.16 116.25 119.08 1y7c h VAL 70 Ca -0.04 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 1y7c h VAL 70 Cb 1.34 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1y7c h VAL 70 CO 0.14 0.43 -0.05 0.00 0.02 0.00 0.00 177.57 178.11 1y7c h ALA 71 N 0.85 1.88 -0.72 1.67 0.00 -0.67 -2.92 119.26 119.36 1y7c h ALA 71 Ca 0.11 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.44 1y7c h ALA 71 Cb 0.69 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.05 1y7c h ALA 71 CO 0.05 0.07 -0.83 0.72 0.00 0.00 0.00 179.25 179.26 1y7c n HIS 72 N -4.43 2.63 0.34 0.00 8.25 -0.79 -4.84 115.22 116.37 1y7c n HIS 72 Ca -0.03 -2.20 0.22 0.00 -0.26 0.00 0.00 57.72 55.46 1y7c n HIS 72 Cb 0.14 -0.33 1.21 0.00 1.12 0.00 0.00 29.99 32.12 1y7c n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y7c h VAL 73 N 2.31 0.03 0.00 1.59 3.04 -1.01 0.26 116.25 122.48 1y7c h VAL 73 Ca 0.34 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 1y7c h VAL 73 Cb 1.52 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1y7c h VAL 73 CO 0.72 0.00 -0.55 0.44 -1.01 0.00 0.00 177.57 177.16 1y7c h ASP 74 N 0.00 0.00 -0.47 3.17 3.32 -1.87 -3.38 116.42 117.18 1y7c h ASP 74 Ca -0.00 -0.14 -0.25 0.00 0.02 0.00 0.00 57.03 56.66 1y7c h ASP 74 Cb 0.00 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.18 1y7c h ASP 74 CO 0.00 0.07 -1.05 -0.67 -1.72 0.00 0.00 179.24 175.87 1y7c n ASP 75 N -2.29 1.26 0.01 6.45 2.03 0.79 -4.98 116.55 119.83 1y7c n ASP 75 Ca 0.03 -2.15 -0.10 0.00 0.52 0.00 0.00 54.79 53.10 1y7c n ASP 75 Cb 0.46 -0.37 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 1y7c n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y7c h MET 76 N 2.53 -0.24 -1.09 -0.67 2.86 -1.39 0.11 114.93 117.04 1y7c h MET 76 Ca -0.16 0.02 0.31 0.00 -2.06 0.00 0.00 59.70 57.81 1y7c h MET 76 Cb 1.26 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.86 1y7c h MET 76 CO 0.19 -0.16 0.68 -1.35 1.06 0.00 0.00 176.91 177.33 1y7c h PRO 77 N -0.25 0.33 0.17 -0.22 0.11 -1.94 0.56 132.00 130.76 1y7c h PRO 77 Ca 0.09 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.86 1y7c h PRO 77 Cb 0.38 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1y7c h PRO 77 CO -0.24 0.22 -1.58 -0.91 -0.21 0.00 0.00 178.00 175.27 1y7c h ASN 78 N 0.34 0.57 0.21 -2.05 4.21 -1.77 -2.96 115.58 114.14 1y7c h ASN 78 Ca 0.68 -0.92 -0.03 0.00 1.21 0.00 0.00 56.30 57.24 1y7c h ASN 78 Cb 1.74 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 38.75 1y7c h ASN 78 CO -0.41 1.71 -0.14 0.00 -1.29 0.00 0.00 177.43 177.31 1y7c h ALA 79 N 0.07 1.56 -0.34 -0.83 0.00 0.19 -3.06 119.26 116.86 1y7c h ALA 79 Ca -0.31 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 1y7c h ALA 79 Cb 1.99 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 1y7c h ALA 79 CO 0.15 0.17 0.02 1.28 0.00 0.00 0.00 179.25 180.87 1y7c n LEU 80 N -4.06 4.18 -0.14 0.00 4.77 0.17 -4.77 117.00 117.14 1y7c n LEU 80 Ca -0.02 -3.24 -0.08 0.00 -0.03 0.00 0.00 56.01 52.63 1y7c n LEU 80 Cb 0.22 -0.59 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1y7c n LEU 80 CO 0.33 0.84 0.61 0.77 -1.33 0.00 0.00 177.39 178.61 1y7c h SER 81 N 1.64 -1.27 -0.45 -1.43 4.64 -1.41 0.11 113.55 115.38 1y7c h SER 81 Ca 0.09 0.21 0.05 0.00 -0.47 0.00 0.00 61.79 61.67 1y7c h SER 81 Cb 1.60 0.58 -0.05 0.00 -0.31 0.00 0.00 62.40 64.23 1y7c h SER 81 CO 0.33 -0.34 0.19 0.00 -0.87 0.00 0.00 176.83 176.13 1y7c h ALA 82 N 0.65 0.55 -0.34 5.18 0.00 -1.86 -1.98 119.26 121.45 1y7c h ALA 82 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1y7c h ALA 82 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1y7c h ALA 82 CO -0.59 -0.19 -0.20 -0.07 0.00 0.00 0.00 179.25 178.20 1y7c h LEU 83 N 0.38 0.66 -1.13 0.00 4.07 -1.73 0.18 115.31 117.73 1y7c h LEU 83 Ca 0.21 -0.22 -0.08 0.00 0.08 0.00 0.00 57.88 57.87 1y7c h LEU 83 Cb 0.17 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1y7c h LEU 83 CO -0.18 0.86 -0.25 0.28 -1.08 0.00 0.00 178.44 178.06 1y7c h SER 84 N 0.58 0.29 0.36 -0.43 0.02 -0.27 -2.41 113.55 111.69 1y7c h SER 84 Ca 0.09 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1y7c h SER 84 Cb 0.67 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1y7c h SER 84 CO 0.05 0.55 -0.18 0.44 -1.14 0.00 0.00 176.83 176.56 1y7c h ASP 85 N 0.27 -0.41 -0.71 3.07 3.32 -1.14 -1.57 116.42 119.24 1y7c h ASP 85 Ca 0.04 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.24 1y7c h ASP 85 Cb 0.59 0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.12 1y7c h ASP 85 CO 0.04 -0.16 -0.27 0.25 -1.72 0.00 0.00 179.24 177.38 1y7c h LEU 86 N -0.77 -0.98 -0.27 1.55 5.85 -0.93 0.22 115.31 119.98 1y7c h LEU 86 Ca -0.05 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1y7c h LEU 86 Cb 0.38 0.54 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1y7c h LEU 86 CO 0.08 -0.28 0.07 0.45 -0.34 0.00 0.00 178.44 178.43 1y7c h HIS 87 N -0.07 0.45 -0.11 1.25 3.86 -1.55 0.13 115.15 119.11 1y7c h HIS 87 Ca 0.30 -0.05 -0.15 0.00 -1.16 0.00 0.00 60.37 59.32 1y7c h HIS 87 Cb 0.56 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 1y7c h HIS 87 CO -0.64 0.50 -0.57 0.00 0.86 0.00 0.00 177.93 178.07 1y7c h ALA 88 N 0.90 0.82 0.00 2.45 0.00 -0.25 0.23 119.26 123.42 1y7c h ALA 88 Ca 0.09 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1y7c h ALA 88 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y7c h ALA 88 CO -0.00 0.70 -1.44 0.72 0.00 0.00 0.00 179.25 179.23 1y7c n HIS 89 N -3.91 0.00 0.00 0.00 8.25 0.68 -4.61 115.22 115.62 1y7c n HIS 89 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1y7c n HIS 89 Cb 0.60 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1y7c n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y7c n LYS 90 N -1.88 0.00 -0.02 -0.41 4.81 0.36 -4.85 118.16 116.17 1y7c n LYS 90 Ca -0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.32 1y7c n LYS 90 Cb 0.31 -0.18 -0.03 0.00 0.02 0.00 0.00 35.03 35.15 1y7c n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y7c h LEU 91 N 0.00 -0.24 -1.25 3.14 3.38 -1.41 -3.47 115.31 115.45 1y7c h LEU 91 Ca 0.00 0.06 -0.45 0.00 0.09 0.00 0.00 57.88 57.58 1y7c h LEU 91 Cb 0.00 0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1y7c h LEU 91 CO 0.00 -0.10 -0.78 0.54 0.09 0.00 0.00 178.44 178.19 1y7c n ARG 92 N -5.22 -5.55 -2.05 1.13 1.74 0.81 -4.92 116.66 102.59 1y7c n ARG 92 Ca -0.03 0.63 -0.41 0.00 -0.77 0.00 0.00 57.85 57.27 1y7c n ARG 92 Cb 0.14 -5.42 -0.02 0.00 -1.02 0.00 0.00 32.46 26.13 1y7c n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y7c s VAL 93 N -3.43 2.72 0.27 1.55 1.01 -1.26 -4.93 120.40 116.33 1y7c s VAL 93 Ca 0.42 0.63 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1y7c s VAL 93 Cb -0.21 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1y7c s VAL 93 CO 0.81 0.11 1.43 -0.62 0.00 0.00 0.00 175.10 176.84 1y7c s ASP 94 N 0.13 6.63 0.49 3.32 2.15 -1.26 -4.88 116.67 123.25 1y7c s ASP 94 Ca 0.56 2.72 0.28 0.00 0.43 0.00 0.00 52.55 56.54 1y7c s ASP 94 Cb -0.41 -2.63 1.36 0.00 -0.30 0.00 0.00 42.92 40.94 1y7c s ASP 94 CO 0.46 -0.71 1.84 -0.65 -0.17 0.00 0.00 175.17 175.94 1y7c h PRO 95 N 4.61 0.14 -0.23 4.34 0.11 -2.00 -1.47 132.00 137.51 1y7c h PRO 95 Ca -0.47 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.70 1y7c h PRO 95 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y7c h PRO 95 CO 0.75 0.10 0.16 0.28 -0.21 0.00 0.00 178.00 179.08 1y7c h VAL 96 N 0.15 0.89 0.00 3.15 2.07 -2.03 -2.16 116.25 118.31 1y7c h VAL 96 Ca 0.50 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.98 1y7c h VAL 96 Cb 1.70 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1y7c h VAL 96 CO -0.09 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.14 1y7c h ASN 97 N 0.01 0.00 -0.29 0.57 4.21 -1.63 -3.18 115.58 115.27 1y7c h ASN 97 Ca 0.11 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.52 1y7c h ASN 97 Cb 0.42 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1y7c h ASN 97 CO -0.00 0.14 -0.14 -0.26 -1.29 0.00 0.00 177.43 175.87 1y7c h PHE 98 N 0.00 0.80 0.00 1.19 0.04 -1.56 -2.69 116.94 114.71 1y7c h PHE 98 Ca -0.00 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.57 1y7c h PHE 98 Cb 0.67 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 1y7c h PHE 98 CO 0.00 0.82 -0.22 0.87 -0.60 0.00 0.00 178.31 179.18 1y7c h LYS 99 N 0.65 0.00 0.17 1.51 1.57 -1.72 -1.55 116.57 117.19 1y7c h LYS 99 Ca 0.11 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.64 1y7c h LYS 99 Cb 0.61 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.95 1y7c h LYS 99 CO 0.04 0.22 -1.08 -0.07 -0.57 0.00 0.00 179.45 178.00 1y7c h LEU 100 N 0.00 0.66 -0.64 2.94 3.38 -1.60 -2.81 115.31 117.23 1y7c h LEU 100 Ca -0.00 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 56.91 1y7c h LEU 100 Cb 0.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1y7c h LEU 100 CO 0.03 1.52 -0.61 0.25 0.09 0.00 0.00 178.44 179.71 1y7c h LEU 101 N -0.10 0.27 0.19 1.67 6.46 -1.41 -2.63 115.31 119.76 1y7c h LEU 101 Ca -0.18 -0.16 -0.01 0.00 -0.12 0.00 0.00 57.88 57.41 1y7c h LEU 101 Cb 1.83 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.69 1y7c h LEU 101 CO 0.20 0.81 -0.09 0.28 -0.62 0.00 0.00 178.44 179.03 1y7c h SER 102 N 0.17 -0.22 -0.72 1.25 0.02 -1.31 -1.84 113.55 110.89 1y7c h SER 102 Ca -0.01 -0.14 0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1y7c h SER 102 Cb 1.12 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 63.63 1y7c h SER 102 CO 0.09 0.02 0.32 -0.74 -1.14 0.00 0.00 176.83 175.38 1y7c h HIS 103 N -0.45 0.55 0.00 3.45 -0.00 -1.52 0.16 115.15 117.33 1y7c h HIS 103 Ca -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1y7c h HIS 103 Cb 0.35 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1y7c h HIS 103 CO -0.01 0.13 -0.10 0.00 -0.00 0.00 0.00 177.93 177.95 1y7c h LEU 105 N 0.00 0.88 0.55 0.00 5.85 0.15 -2.10 115.31 120.64 1y7c h LEU 105 Ca -0.00 -0.83 -0.03 0.00 0.84 0.00 0.00 57.88 57.86 1y7c h LEU 105 Cb 0.46 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 41.21 1y7c h LEU 105 CO 0.01 1.64 -0.26 -0.07 -0.34 0.00 0.00 178.44 179.41 1y7c h LEU 106 N 0.26 -0.63 -0.82 2.25 3.38 -0.85 -1.02 115.31 117.88 1y7c h LEU 106 Ca -0.20 -0.03 0.20 0.00 0.09 0.00 0.00 57.88 57.93 1y7c h LEU 106 Cb 1.97 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 42.75 1y7c h LEU 106 CO 0.25 -0.34 0.15 0.58 0.09 0.00 0.00 178.44 179.17 1y7c h VAL 107 N -0.89 0.36 -0.59 1.22 2.07 -1.36 0.51 116.25 117.57 1y7c h VAL 107 Ca -0.08 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1y7c h VAL 107 Cb 0.62 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1y7c h VAL 107 CO 0.12 0.03 -0.05 0.74 0.02 0.00 0.00 177.57 178.44 1y7c h THR 108 N 0.19 1.27 -0.02 2.57 2.02 -1.24 -2.67 112.91 115.02 1y7c h THR 108 Ca 0.48 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1y7c h THR 108 Cb 0.91 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1y7c h THR 108 CO -0.63 0.44 -0.01 -0.07 0.37 0.00 0.00 175.52 175.61 1y7c h LEU 109 N 0.96 0.05 -0.75 2.58 3.38 0.11 -3.04 115.31 118.61 1y7c h LEU 109 Ca 0.16 -0.43 0.17 0.00 0.09 0.00 0.00 57.88 57.87 1y7c h LEU 109 Cb 0.61 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 1y7c h LEU 109 CO 0.04 0.47 0.17 0.00 0.09 0.00 0.00 178.44 179.20 1y7c h ALA 110 N 0.59 0.97 0.00 1.53 0.00 -0.25 0.50 119.26 122.59 1y7c h ALA 110 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y7c h ALA 110 Cb 0.45 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1y7c h ALA 110 CO 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1y7c h ALA 111 N 1.64 1.00 0.00 0.00 0.00 -1.48 -3.31 119.26 117.11 1y7c h ALA 111 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 1y7c h ALA 111 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1y7c h ALA 111 CO -0.54 0.00 -1.40 0.72 0.00 0.00 0.00 179.25 178.03 1y7c n HIS 112 N -2.68 0.00 -2.89 0.00 -0.00 -0.45 -4.77 115.22 104.43 1y7c n HIS 112 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.51 1y7c n HIS 112 Cb 0.33 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 1y7c n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y7c n LEU 113 N -1.91 3.50 -0.16 2.41 4.77 0.16 -4.95 117.00 120.82 1y7c n LEU 113 Ca -0.04 -5.30 -0.06 0.00 -0.03 0.00 0.00 56.01 50.57 1y7c n LEU 113 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1y7c n LEU 113 CO 0.16 2.26 0.65 1.55 -1.33 0.00 0.00 177.39 180.68 1y7c h PRO 114 N 2.91 -0.19 -0.79 3.23 0.13 -1.79 0.99 132.00 136.49 1y7c h PRO 114 Ca 0.14 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 1y7c h PRO 114 Cb 0.73 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 1y7c h PRO 114 CO 0.73 -0.12 0.45 0.00 -0.23 0.00 0.00 178.00 178.83 1y7c h ALA 115 N 0.93 1.01 0.00 -0.56 0.00 -1.92 -3.18 119.26 115.54 1y7c h ALA 115 Ca 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1y7c h ALA 115 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1y7c h ALA 115 CO -0.60 0.51 -0.27 0.93 0.00 0.00 0.00 179.25 179.82 1y7c h GLU 116 N 1.10 0.00 -2.62 0.00 3.07 -1.79 -3.38 114.58 110.96 1y7c h GLU 116 Ca 0.28 0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.67 1y7c h GLU 116 Cb 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1y7c h GLU 116 CO -0.05 0.24 2.15 0.34 -1.40 0.00 0.00 179.01 180.29 1y7c n PHE 117 N -3.15 1.43 -1.74 4.33 7.35 0.27 -4.77 117.46 121.18 1y7c n PHE 117 Ca 0.03 -2.42 -0.29 0.00 -0.76 0.00 0.00 57.45 54.00 1y7c n PHE 117 Cb 0.63 -2.11 0.09 0.00 0.35 0.00 0.00 39.48 38.44 1y7c n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y7c s THR 118 N 1.75 2.49 0.23 -2.13 -4.23 -1.26 -4.74 115.64 107.74 1y7c s THR 118 Ca 0.68 0.16 -0.07 0.00 -1.18 0.00 0.00 61.69 61.28 1y7c s THR 118 Cb 0.23 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 71.20 1y7c s THR 118 CO -0.04 -0.21 1.81 -0.65 -0.54 0.00 0.00 174.62 174.99 1y7c h PRO 119 N -1.10 0.70 -0.28 3.99 0.11 -1.98 0.31 132.00 133.74 1y7c h PRO 119 Ca -0.47 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1y7c h PRO 119 Cb 1.30 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1y7c h PRO 119 CO 0.63 0.46 -0.29 0.00 -0.21 0.00 0.00 178.00 178.60 1y7c h ALA 120 N 1.40 0.97 -0.03 -0.75 0.00 -1.96 -1.86 119.26 117.03 1y7c h ALA 120 Ca 0.34 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1y7c h ALA 120 Cb 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1y7c h ALA 120 CO -0.22 0.60 -0.67 0.28 0.00 0.00 0.00 179.25 179.25 1y7c h VAL 121 N 0.50 1.44 -0.12 0.00 2.07 -1.59 -2.29 116.25 116.26 1y7c h VAL 121 Ca 0.06 -2.19 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 1y7c h VAL 121 Cb 0.75 2.16 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1y7c h VAL 121 CO 0.06 0.64 0.01 -0.74 0.02 0.00 0.00 177.57 177.55 1y7c h HIS 122 N 0.09 0.23 -0.65 1.57 6.17 -0.12 -1.59 115.15 120.84 1y7c h HIS 122 Ca -0.01 -0.04 0.06 0.00 0.71 0.00 0.00 60.37 61.09 1y7c h HIS 122 Cb 1.19 -0.06 -0.05 0.00 2.52 0.00 0.00 27.41 31.01 1y7c h HIS 122 CO 0.01 0.43 0.36 0.00 0.71 0.00 0.00 177.93 179.44 1y7c h ALA 123 N 0.77 0.87 -0.04 5.26 0.00 -1.27 -2.16 119.26 122.67 1y7c h ALA 123 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1y7c h ALA 123 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y7c h ALA 123 CO 0.00 0.03 -0.01 0.77 0.00 0.00 0.00 179.25 180.04 1y7c h SER 124 N 0.66 0.09 -0.84 0.00 0.02 -1.28 -2.25 113.55 109.95 1y7c h SER 124 Ca 0.29 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.92 1y7c h SER 124 Cb 0.18 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 1y7c h SER 124 CO -0.18 0.45 0.52 -0.07 -1.14 0.00 0.00 176.83 176.41 1y7c h LEU 125 N -0.27 0.82 0.36 5.07 3.38 -1.20 -0.76 115.31 122.72 1y7c h LEU 125 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1y7c h LEU 125 Cb 0.41 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1y7c h LEU 125 CO 0.00 0.53 -0.25 -0.78 0.09 0.00 0.00 178.44 178.04 1y7c h ASP 126 N 0.96 -0.64 -0.98 -0.43 3.58 -1.40 0.16 116.42 117.67 1y7c h ASP 126 Ca 0.36 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.95 1y7c h ASP 126 Cb 0.15 0.20 -0.08 0.00 1.72 0.00 0.00 39.33 41.32 1y7c h ASP 126 CO -0.16 -0.39 0.63 0.11 -2.88 0.00 0.00 179.24 176.54 1y7c h LYS 127 N -0.60 1.00 -0.20 0.28 1.57 -1.10 -1.37 116.57 116.15 1y7c h LYS 127 Ca -0.03 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1y7c h LYS 127 Cb 0.51 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1y7c h LYS 127 CO 0.02 0.66 0.01 0.35 -0.57 0.00 0.00 179.45 179.92 1y7c h PHE 128 N 1.03 0.38 -0.45 -1.35 3.57 -0.68 0.01 116.94 119.46 1y7c h PHE 128 Ca 0.46 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.81 1y7c h PHE 128 Cb 0.37 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1y7c h PHE 128 CO -0.00 0.53 -0.07 -0.07 -2.23 0.00 0.00 178.31 176.47 1y7c h LEU 129 N 0.12 0.76 -0.27 0.59 3.38 -0.25 -0.66 115.31 118.99 1y7c h LEU 129 Ca 0.06 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1y7c h LEU 129 Cb 0.38 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1y7c h LEU 129 CO 0.01 0.88 0.17 0.00 0.09 0.00 0.00 178.44 179.59 1y7c h ALA 130 N 1.20 0.34 -0.72 1.53 0.00 -1.15 0.56 119.26 121.02 1y7c h ALA 130 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1y7c h ALA 130 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1y7c h ALA 130 CO 0.03 -0.18 0.31 0.77 0.00 0.00 0.00 179.25 180.18 1y7c h SER 131 N 0.36 0.97 -0.34 0.00 0.02 -0.49 0.70 113.55 114.76 1y7c h SER 131 Ca 0.10 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1y7c h SER 131 Cb -0.03 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1y7c h SER 131 CO -0.02 0.86 -0.02 0.58 -1.14 0.00 0.00 176.83 177.08 1y7c h VAL 132 N 1.02 1.24 -0.31 2.27 2.07 -0.58 -2.17 116.25 119.78 1y7c h VAL 132 Ca 0.24 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1y7c h VAL 132 Cb 0.17 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1y7c h VAL 132 CO -0.02 0.34 0.10 0.28 0.02 0.00 0.00 177.57 178.28 1y7c h SER 133 N 0.67 0.44 -0.77 0.57 0.02 0.12 -1.93 113.55 112.67 1y7c h SER 133 Ca 0.13 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1y7c h SER 133 Cb 0.45 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 1y7c h SER 133 CO 0.02 0.53 0.48 0.74 -1.14 0.00 0.00 176.83 177.46 1y7c h THR 134 N 0.34 1.10 -0.13 -2.27 2.02 -0.70 -2.13 112.91 111.14 1y7c h THR 134 Ca 0.10 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1y7c h THR 134 Cb 0.24 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1y7c h THR 134 CO -0.00 0.17 0.00 0.58 0.37 0.00 0.00 175.52 176.64 1y7c h VAL 135 N 0.94 1.25 0.00 3.16 2.07 -1.22 -1.57 116.25 120.87 1y7c h VAL 135 Ca 0.31 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1y7c h VAL 135 Cb 0.04 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1y7c h VAL 135 CO -0.12 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.63 1y7c h LEU 136 N -0.03 0.00 -3.00 2.57 3.38 -1.03 -2.79 115.31 114.41 1y7c h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1y7c h LEU 136 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1y7c h LEU 136 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1y7c n THR 137 N -2.68 1.22 0.18 0.22 -2.24 -0.83 -4.49 114.28 105.67 1y7c n THR 137 Ca -0.00 -1.28 0.04 0.00 -2.27 0.00 0.00 64.05 60.54 1y7c n THR 137 Cb 0.16 0.33 0.35 0.00 -2.10 0.00 0.00 70.33 69.07 1y7c n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y7c h SER 138 N 0.34 0.00 -0.63 3.42 4.64 -1.00 -3.21 113.55 117.13 1y7c h SER 138 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1y7c h SER 138 Cb 0.66 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.67 1y7c h SER 138 CO 0.01 0.40 0.16 0.29 -0.87 0.00 0.00 176.83 176.82 1y7c n LYS 139 N -3.75 3.77 0.03 4.77 5.02 -1.26 -4.61 118.16 122.12 1y7c n LYS 139 Ca -0.01 -3.09 -0.04 0.00 -2.02 0.00 0.00 58.31 53.15 1y7c n LYS 139 Cb 0.48 -2.16 0.18 0.00 -0.02 0.00 0.00 35.03 33.51 1y7c n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y7c h TYR 140 N 2.74 0.52 0.00 2.13 0.99 -1.87 -3.46 116.97 118.02 1y7c h TYR 140 Ca 0.18 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1y7c h TYR 140 Cb 2.12 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 39.73 1y7c h TYR 140 CO 1.14 0.73 0.00 2.89 -0.00 0.00 0.00 178.16 182.92