#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9icx n THR 10 N 0.00 0.00 1.25 2.62 5.66 -1.26 -4.87 114.28 117.68 9icx n THR 10 Ca 0.00 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.14 9icx n THR 10 Cb 0.00 0.00 0.59 0.00 -1.55 0.00 0.00 70.33 69.37 9icx n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 9icx n LEU 11 N 0.00 0.26 -0.91 1.09 -0.00 -1.26 -3.92 117.00 112.26 9icx n LEU 11 Ca 0.00 0.19 -0.01 0.00 -0.00 0.00 0.00 56.01 56.19 9icx n LEU 11 Cb 0.00 -0.30 -0.02 0.00 -0.00 0.00 0.00 43.42 43.11 9icx n LEU 11 CO 0.00 0.05 0.24 0.59 -0.00 0.00 0.00 177.39 178.27 9icx n ASN 12 N -1.24 -0.11 -0.14 1.45 5.03 -1.26 -4.43 115.26 114.56 9icx n ASN 12 Ca 0.11 -1.75 -0.10 0.00 0.87 0.00 0.00 54.58 53.71 9icx n ASN 12 Cb 0.29 -0.00 -0.05 0.00 -1.02 0.00 0.00 39.78 39.00 9icx n ASN 12 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 9icx h GLY 13 N 0.23 -0.57 0.42 7.41 0.00 -1.90 0.73 103.07 109.41 9icx h GLY 13 Ca -0.25 0.56 0.03 0.00 0.00 0.00 0.00 47.33 47.67 9icx h GLY 13 CO -0.08 -0.17 -0.26 -1.33 0.00 0.00 0.00 176.54 174.70 9icx h GLY 14 N -0.31 -0.41 0.16 4.60 0.00 -1.93 0.79 103.07 105.97 9icx h GLY 14 Ca 0.14 0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.91 9icx h GLY 14 CO -0.60 -0.21 0.22 -2.22 0.00 0.00 0.00 176.54 173.73 9icx h ILE 15 N -0.41 0.65 0.00 2.60 2.04 -1.88 1.52 117.51 122.03 9icx h ILE 15 Ca 0.06 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 9icx h ILE 15 Cb 0.49 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 9icx h ILE 15 CO -0.22 0.07 -0.38 0.71 0.00 0.00 0.00 178.15 178.32 9icx h THR 16 N 0.36 0.95 -0.07 -0.27 1.35 0.03 -2.63 112.91 112.62 9icx h THR 16 Ca 0.37 -1.50 -0.23 0.00 -0.55 0.00 0.00 66.41 64.50 9icx h THR 16 Cb 0.56 1.89 0.01 0.00 -1.73 0.00 0.00 68.15 68.88 9icx h THR 16 CO -0.41 0.38 -0.89 0.44 -0.25 0.00 0.00 175.52 174.79 9icx h ASP 17 N 0.00 0.83 0.23 5.36 3.32 0.87 -2.30 116.42 124.74 9icx h ASP 17 Ca -0.00 -0.60 -0.01 0.00 0.02 0.00 0.00 57.03 56.43 9icx h ASP 17 Cb 0.86 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.17 9icx h ASP 17 CO 0.05 1.39 -0.11 -0.03 -1.72 0.00 0.00 179.24 178.82 9icx h MET 18 N 0.42 -0.30 -0.70 3.56 1.85 -0.25 0.48 114.93 119.99 9icx h MET 18 Ca -0.08 0.02 0.15 0.00 -0.61 0.00 0.00 59.70 59.18 9icx h MET 18 Cb 1.52 0.07 -0.12 0.00 0.43 0.00 0.00 31.60 33.50 9icx h MET 18 CO 0.17 -0.17 0.04 -0.07 -0.40 0.00 0.00 176.91 176.48 9icx h LEU 19 N -0.35 -0.24 -1.22 3.39 4.07 -1.54 0.98 115.31 120.41 9icx h LEU 19 Ca -0.03 0.17 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 9icx h LEU 19 Cb 0.27 0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 9icx h LEU 19 CO 0.05 -0.13 0.14 0.71 -1.08 0.00 0.00 178.44 178.14 9icx h THR 20 N 0.14 1.19 0.21 0.22 1.35 -0.79 0.16 112.91 115.39 9icx h THR 20 Ca 0.38 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 9icx h THR 20 Cb 0.65 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 9icx h THR 20 CO -0.58 0.25 -0.10 -0.33 -0.25 0.00 0.00 175.52 174.51 9icx h GLU 21 N 0.67 -0.27 -0.37 4.72 5.08 0.29 -0.90 114.58 123.81 9icx h GLU 21 Ca 0.16 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 9icx h GLU 21 Cb 0.21 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 9icx h GLU 21 CO -0.01 -0.05 0.04 -0.07 -1.00 0.00 0.00 179.01 177.92 9icx h LEU 22 N -0.46 -0.07 0.10 1.33 -0.00 0.11 -2.46 115.31 113.86 9icx h LEU 22 Ca -0.03 0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 9icx h LEU 22 Cb 0.35 0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 9icx h LEU 22 CO 0.05 0.00 -0.05 0.00 -0.00 0.00 0.00 178.44 178.44 9icx h ALA 23 N 1.30 -0.13 -1.01 1.53 0.00 -0.56 -2.31 119.26 118.08 9icx h ALA 23 Ca 0.18 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.29 9icx h ALA 23 Cb 0.23 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 9icx h ALA 23 CO -0.27 -0.54 0.66 -0.91 0.00 0.00 0.00 179.25 178.19 9icx h ASN 24 N -0.18 0.41 -0.19 0.00 2.35 -0.79 -0.34 115.58 116.83 9icx h ASN 24 Ca -0.01 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 9icx h ASN 24 Cb 0.15 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 9icx h ASN 24 CO 0.02 0.10 -0.21 0.15 -1.65 0.00 0.00 177.43 175.84 9icx h PHE 25 N 0.37 0.59 -0.67 1.19 3.57 -1.08 0.18 116.94 121.09 9icx h PHE 25 Ca 0.56 -0.18 0.11 0.00 3.53 0.00 0.00 57.97 61.99 9icx h PHE 25 Cb 1.46 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 40.00 9icx h PHE 25 CO -0.00 0.86 0.25 0.93 -2.23 0.00 0.00 178.31 178.12 9icx h GLU 26 N 0.15 0.41 0.23 1.11 4.39 -0.52 0.37 114.58 120.72 9icx h GLU 26 Ca 0.03 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 9icx h GLU 26 Cb 0.77 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 9icx h GLU 26 CO 0.05 0.27 -0.11 1.57 -1.16 0.00 0.00 179.01 179.64 9icx h LYS 27 N 0.42 -0.29 0.08 2.33 5.09 -1.48 -1.99 116.57 120.74 9icx h LYS 27 Ca 0.35 0.02 -0.00 0.00 0.09 0.00 0.00 60.65 61.10 9icx h LYS 27 Cb 0.47 0.07 0.00 0.00 0.10 0.00 0.00 32.23 32.86 9icx h LYS 27 CO -0.35 0.02 -0.04 -0.91 -2.09 0.00 0.00 179.45 176.08 9icx h ASN 28 N -0.98 -0.10 0.00 7.07 -0.26 -0.72 -3.40 115.58 117.20 9icx h ASN 28 Ca -0.03 -0.11 -0.01 0.00 -0.56 0.00 0.00 56.30 55.60 9icx h ASN 28 Cb 0.45 0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.73 9icx h ASN 28 CO 0.05 0.05 -0.39 0.58 -1.06 0.00 0.00 177.43 176.66 9icx h VAL 29 N -0.23 0.04 -3.47 2.81 2.07 -0.48 -3.46 116.25 113.53 9icx h VAL 29 Ca -0.01 -1.04 -0.32 0.00 0.82 0.00 0.00 66.70 66.15 9icx h VAL 29 Cb 0.20 0.08 0.12 0.00 -1.52 0.00 0.00 31.29 30.17 9icx h VAL 29 CO 0.02 0.01 0.29 -1.20 0.02 0.00 0.00 177.57 176.71 9icx n SER 30 N -4.66 0.15 -0.86 0.57 7.64 -0.81 -4.93 113.62 110.73 9icx n SER 30 Ca -0.06 -1.39 0.09 0.00 1.01 0.00 0.00 58.87 58.52 9icx n SER 30 Cb 0.21 -0.72 0.16 0.00 -1.01 0.00 0.00 64.21 62.85 9icx n SER 30 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 9icx n GLN 31 N -2.99 2.17 -0.03 1.43 7.27 -1.22 -4.34 117.38 119.68 9icx n GLN 31 Ca 0.12 -1.99 0.00 0.00 0.07 0.00 0.00 57.00 55.21 9icx n GLN 31 Cb 0.42 -1.38 0.00 0.00 2.41 0.00 0.00 30.24 31.69 9icx n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 9icx n ALA 32 N 1.03 0.12 -0.26 1.69 0.00 -0.78 -4.69 120.51 117.62 9icx n ALA 32 Ca 0.14 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.84 9icx n ALA 32 Cb 0.48 -0.27 0.61 0.00 0.00 0.00 0.00 19.45 20.27 9icx n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 9icx h ILE 33 N 2.19 0.55 -0.04 0.00 6.09 -1.89 3.16 117.51 127.57 9icx h ILE 33 Ca 0.00 -0.08 -0.01 0.00 -1.37 0.00 0.00 64.86 63.41 9icx h ILE 33 Cb 0.00 0.31 -0.00 0.00 0.47 0.00 0.00 36.82 37.60 9icx h ILE 33 CO 0.06 0.04 -0.00 0.45 -3.07 0.00 0.00 178.15 175.63 9icx h HIS 34 N 0.22 0.08 -0.54 2.19 3.86 -1.96 0.24 115.15 119.24 9icx h HIS 34 Ca 0.51 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.64 9icx h HIS 34 Cb 1.60 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 30.02 9icx h HIS 34 CO -0.00 0.38 0.10 0.87 0.86 0.00 0.00 177.93 180.14 9icx h LYS 35 N -0.24 0.89 -0.24 2.45 1.57 -1.25 0.20 116.57 119.95 9icx h LYS 35 Ca 0.01 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 9icx h LYS 35 Cb 0.35 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 9icx h LYS 35 CO 0.00 0.86 0.02 -0.92 -0.57 0.00 0.00 179.45 178.83 9icx h TYR 36 N 0.78 0.02 -0.02 -1.35 3.20 0.59 0.20 116.97 120.38 9icx h TYR 36 Ca 0.17 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 9icx h TYR 36 Cb 0.39 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 9icx h TYR 36 CO 0.03 -0.02 -0.26 -0.91 -1.64 0.00 0.00 178.16 175.36 9icx h ASN 37 N 0.10 0.03 0.19 -2.11 -0.26 -0.16 -2.96 115.58 110.41 9icx h ASN 37 Ca 0.11 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.85 9icx h ASN 37 Cb 0.13 -0.01 -0.02 0.00 -1.06 0.00 0.00 38.32 37.36 9icx h ASN 37 CO -0.18 0.29 -0.23 0.00 -1.06 0.00 0.00 177.43 176.25 9icx h ALA 38 N 1.71 -0.44 -1.01 -0.83 0.00 0.24 -2.61 119.26 116.32 9icx h ALA 38 Ca 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.94 9icx h ALA 38 Cb 0.47 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 9icx h ALA 38 CO 0.03 -0.78 0.65 1.88 0.00 0.00 0.00 179.25 181.03 9icx h TYR 39 N -0.47 1.19 -0.74 0.00 0.05 -1.02 -2.85 116.97 113.13 9icx h TYR 39 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 9icx h TYR 39 Cb 0.45 -0.39 -0.03 0.00 1.01 0.00 0.00 36.73 37.77 9icx h TYR 39 CO -0.18 0.57 0.34 0.07 -1.05 0.00 0.00 178.16 177.91 9icx h ARG 40 N 1.13 1.08 -0.38 4.88 0.11 -1.34 -0.10 114.38 119.76 9icx h ARG 40 Ca 0.45 -0.17 -0.13 0.00 0.10 0.00 0.00 59.98 60.23 9icx h ARG 40 Cb 0.27 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 9icx h ARG 40 CO -0.20 0.86 -0.29 1.57 0.10 0.00 0.00 179.97 182.01 9icx h LYS 41 N 1.05 0.83 0.03 0.08 -0.00 -1.33 -0.47 116.57 116.75 9icx h LYS 41 Ca 0.25 -0.38 0.01 0.00 -0.00 0.00 0.00 60.65 60.54 9icx h LYS 41 Cb 0.15 -0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 32.35 9icx h LYS 41 CO -0.03 1.01 -0.10 0.00 -0.00 0.00 0.00 179.45 180.34 9icx h ALA 42 N 0.96 -0.13 -0.69 0.07 0.00 -1.27 0.45 119.26 118.66 9icx h ALA 42 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 9icx h ALA 42 Cb 0.84 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 9icx h ALA 42 CO 0.07 -0.60 0.44 0.00 0.00 0.00 0.00 179.25 179.17 9icx h ALA 43 N 0.78 0.88 -0.38 0.00 0.00 -0.85 -0.52 119.26 119.16 9icx h ALA 43 Ca 0.03 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.96 9icx h ALA 43 Cb 0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 9icx h ALA 43 CO -0.08 0.32 -0.12 1.03 0.00 0.00 0.00 179.25 180.40 9icx h SER 44 N 0.94 -0.44 0.07 0.00 0.87 -0.33 0.44 113.55 115.10 9icx h SER 44 Ca 0.25 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.77 9icx h SER 44 Cb -0.08 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 9icx h SER 44 CO -0.05 -0.16 -0.58 -0.37 -0.53 0.00 0.00 176.83 175.14 9icx h VAL 45 N -0.04 1.33 0.00 2.23 -1.51 0.36 -2.98 116.25 115.65 9icx h VAL 45 Ca 0.19 -1.86 -0.06 0.00 -1.23 0.00 0.00 66.70 63.74 9icx h VAL 45 Cb 0.32 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 9icx h VAL 45 CO -0.41 0.57 -0.31 0.16 -1.23 0.00 0.00 177.57 176.35 9icx h ILE 46 N 0.39 1.03 -0.69 7.19 3.07 -0.47 -2.58 117.51 125.45 9icx h ILE 46 Ca 0.00 -1.13 -0.01 0.00 1.55 0.00 0.00 64.86 65.26 9icx h ILE 46 Cb 1.13 1.65 -0.03 0.00 -0.27 0.00 0.00 36.82 39.29 9icx h ILE 46 CO 0.11 0.30 0.38 0.00 -1.05 0.00 0.00 178.15 177.89 9icx h ALA 47 N 1.69 0.88 -0.02 0.16 0.00 -0.01 -3.01 119.26 118.96 9icx h ALA 47 Ca -0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.55 9icx h ALA 47 Cb 0.62 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 18.15 9icx h ALA 47 CO 0.04 0.40 -0.98 0.87 0.00 0.00 0.00 179.25 179.57 9icx h LYS 48 N 0.95 0.62 -6.00 0.00 1.57 -1.34 -3.37 116.57 109.00 9icx h LYS 48 Ca 0.24 -0.65 -0.76 0.00 -1.87 0.00 0.00 60.65 57.61 9icx h LYS 48 Cb 0.04 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 9icx h LYS 48 CO -0.04 1.25 1.26 0.98 -0.57 0.00 0.00 179.45 182.33 9icx n TYR 49 N -3.83 1.33 0.00 -1.35 9.36 -1.00 -4.82 117.16 116.84 9icx n TYR 49 Ca -0.09 0.72 0.00 0.00 3.32 0.00 0.00 57.90 61.85 9icx n TYR 49 Cb 0.85 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 37.23 9icx n TYR 49 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 9icx n PRO 50 N 7.18 0.00 -3.32 2.98 -0.04 -1.26 -4.84 135.00 135.70 9icx n PRO 50 Ca 0.49 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 64.07 9icx n PRO 50 Cb 0.01 -1.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 9icx n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 9icx n HIS 51 N -1.20 -0.03 -2.98 0.54 8.25 -1.26 -5.08 115.22 113.45 9icx n HIS 51 Ca 0.00 -1.48 -0.42 0.00 -0.26 0.00 0.00 57.72 55.56 9icx n HIS 51 Cb 0.09 0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 9icx n HIS 51 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 9icx s LYS 52 N -2.84 3.83 -0.16 -0.41 1.02 -1.26 -4.78 119.74 115.12 9icx s LYS 52 Ca 0.14 0.37 -0.29 0.00 0.02 0.00 0.00 55.97 56.20 9icx s LYS 52 Cb 0.01 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.51 9icx s LYS 52 CO 0.10 -0.76 1.64 0.42 -0.92 0.00 0.00 175.35 175.83 9icx s ILE 53 N 2.96 3.66 -1.77 2.17 1.01 -1.26 -4.83 121.20 123.15 9icx s ILE 53 Ca 0.30 0.76 0.24 0.00 0.00 0.00 0.00 60.65 61.95 9icx s ILE 53 Cb -0.14 -3.61 0.08 0.00 0.01 0.00 0.00 42.46 38.80 9icx s ILE 53 CO 0.15 -0.20 1.28 0.29 0.00 0.00 0.00 174.94 176.45 9icx n LYS 54 N 7.49 0.88 -3.62 2.79 4.01 -1.26 -5.00 118.16 123.45 9icx n LYS 54 Ca 0.18 -0.65 -0.06 0.00 -0.51 0.00 0.00 58.31 57.28 9icx n LYS 54 Cb 0.44 -1.49 -0.02 0.00 -0.51 0.00 0.00 35.03 33.46 9icx n LYS 54 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 9icx s SER 55 N -2.57 -0.28 0.08 4.39 1.04 -1.26 -5.01 113.70 110.09 9icx s SER 55 Ca 0.19 -0.19 -0.25 0.00 0.48 0.00 0.00 55.95 56.18 9icx s SER 55 Cb 0.18 0.43 -0.16 0.00 0.10 0.00 0.00 66.02 66.57 9icx s SER 55 CO 0.59 -0.75 1.67 1.23 0.98 0.00 0.00 173.24 176.95 9icx h GLY 56 N 2.00 -0.23 -0.17 7.32 0.00 -1.84 -2.26 103.07 107.89 9icx h GLY 56 Ca -0.23 0.09 0.25 0.00 0.00 0.00 0.00 47.33 47.44 9icx h GLY 56 CO 0.28 -0.08 0.61 0.00 0.00 0.00 0.00 176.54 177.35 9icx h ALA 57 N 0.56 1.87 -0.65 3.60 0.00 -1.96 0.43 119.26 123.11 9icx h ALA 57 Ca -0.02 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 9icx h ALA 57 Cb 0.21 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 9icx h ALA 57 CO 0.04 -0.34 0.09 1.49 0.00 0.00 0.00 179.25 180.53 9icx h GLU 58 N 0.54 1.07 -0.14 0.00 4.81 -1.87 -2.96 114.58 116.04 9icx h GLU 58 Ca 0.64 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 9icx h GLU 58 Cb 1.29 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 9icx h GLU 58 CO -0.45 0.99 -0.05 0.00 -0.73 0.00 0.00 179.01 178.77 9icx h ALA 59 N 1.09 0.20 -1.27 2.92 0.00 0.36 -3.12 119.26 119.43 9icx h ALA 59 Ca 0.20 -0.25 0.40 0.00 0.00 0.00 0.00 54.91 55.26 9icx h ALA 59 Cb 0.45 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.07 9icx h ALA 59 CO 0.01 -0.03 0.82 -0.22 0.00 0.00 0.00 179.25 179.84 9icx h LYS 60 N -0.03 0.13 0.00 0.00 3.64 -0.99 0.62 116.57 119.95 9icx h LYS 60 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 9icx h LYS 60 Cb 0.49 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 9icx h LYS 60 CO 0.02 0.09 0.14 1.63 -2.27 0.00 0.00 179.45 179.05 9icx n LYS 61 N -4.66 0.08 -3.44 1.90 5.02 -1.17 -4.53 118.16 111.35 9icx n LYS 61 Ca 0.35 0.54 -0.23 0.00 -2.02 0.00 0.00 58.31 56.95 9icx n LYS 61 Cb 1.33 -1.90 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 9icx n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 9icx s LEU 62 N -3.86 4.02 0.16 -0.35 1.02 0.22 -5.06 118.68 114.83 9icx s LEU 62 Ca -0.01 0.31 -0.29 0.00 0.02 0.00 0.00 54.13 54.16 9icx s LEU 62 Cb 0.04 -3.17 -0.07 0.00 0.02 0.00 0.00 46.19 43.01 9icx s LEU 62 CO 0.11 -0.32 0.90 -2.16 0.02 0.00 0.00 176.35 174.91 9icx s PRO 63 N -4.28 4.72 0.00 1.29 0.04 -1.26 -2.82 135.00 132.69 9icx s PRO 63 Ca 0.40 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.82 9icx s PRO 63 Cb -0.10 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.13 9icx s PRO 63 CO 0.35 0.40 0.00 0.41 0.04 0.00 0.00 177.00 178.20 9icx n GLY 64 N 1.86 3.28 3.48 0.56 0.00 -1.26 -4.83 105.19 108.27 9icx n GLY 64 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 9icx n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9icx s VAL 65 N -2.72 4.94 0.27 1.61 0.11 -1.13 -4.63 120.40 118.86 9icx s VAL 65 Ca 0.00 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.79 9icx s VAL 65 Cb 0.00 -4.18 0.03 0.00 -1.53 0.00 0.00 36.38 30.70 9icx s VAL 65 CO 0.00 -0.61 0.29 0.61 -3.33 0.00 0.00 175.10 172.06 9icx n GLY 66 N 5.11 2.46 0.11 6.54 0.00 -1.26 -4.56 105.19 113.60 9icx n GLY 66 Ca -0.06 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.66 9icx n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9icx h THR 67 N 0.33 1.08 -0.88 2.61 1.03 -1.95 0.16 112.91 115.28 9icx h THR 67 Ca -0.15 -0.19 0.01 0.00 -0.01 0.00 0.00 66.41 66.07 9icx h THR 67 Cb 0.61 0.84 -0.04 0.00 -1.07 0.00 0.00 68.15 68.49 9icx h THR 67 CO 0.23 0.08 0.58 0.11 -0.01 0.00 0.00 175.52 176.50 9icx h LYS 68 N 0.25 1.17 0.03 0.00 1.57 -2.00 -1.39 116.57 116.21 9icx h LYS 68 Ca 0.07 -0.07 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 9icx h LYS 68 Cb 0.01 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 9icx h LYS 68 CO -0.01 0.78 -1.00 0.82 -0.57 0.00 0.00 179.45 179.47 9icx h ILE 69 N 1.20 1.48 0.00 1.86 2.04 -1.93 -2.78 117.51 119.38 9icx h ILE 69 Ca 0.32 -2.72 -0.03 0.00 1.00 0.00 0.00 64.86 63.43 9icx h ILE 69 Cb -0.13 2.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 9icx h ILE 69 CO -0.07 0.80 -0.16 0.00 0.00 0.00 0.00 178.15 178.72 9icx h ALA 70 N 0.80 1.67 0.38 1.87 0.00 -0.47 -0.45 119.26 123.06 9icx h ALA 70 Ca -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 9icx h ALA 70 Cb 1.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.43 9icx h ALA 70 CO 0.16 0.20 -0.18 1.49 0.00 0.00 0.00 179.25 180.92 9icx h GLU 71 N 0.00 -0.49 -0.66 0.00 4.81 -1.02 -1.81 114.58 115.40 9icx h GLU 71 Ca -0.00 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 9icx h GLU 71 Cb 0.29 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 9icx h GLU 71 CO 0.02 -0.25 0.30 0.87 -0.73 0.00 0.00 179.01 179.22 9icx h LYS 72 N -0.65 0.95 -0.23 1.92 1.57 -1.23 -0.51 116.57 118.39 9icx h LYS 72 Ca -0.05 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 9icx h LYS 72 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 9icx h LYS 72 CO 0.09 0.74 -0.18 0.82 -0.57 0.00 0.00 179.45 180.34 9icx h ILE 73 N 0.94 1.24 0.56 1.86 2.04 -0.91 -2.27 117.51 120.96 9icx h ILE 73 Ca 0.23 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 9icx h ILE 73 Cb 0.12 1.27 0.01 0.00 -0.74 0.00 0.00 36.82 37.47 9icx h ILE 73 CO -0.03 0.34 -0.27 0.44 0.00 0.00 0.00 178.15 178.63 9icx h ASP 74 N 0.37 -0.64 -0.68 1.72 3.32 -0.21 -0.93 116.42 119.37 9icx h ASP 74 Ca 0.06 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.27 9icx h ASP 74 Cb 0.54 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 9icx h ASP 74 CO 0.04 -0.31 0.54 -0.08 -1.72 0.00 0.00 179.24 177.70 9icx h GLU 75 N -0.98 0.00 0.07 3.56 4.81 -1.46 2.36 114.58 122.94 9icx h GLU 75 Ca -0.08 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.88 9icx h GLU 75 Cb 0.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 9icx h GLU 75 CO 0.13 0.00 -1.37 0.35 -0.73 0.00 0.00 179.01 177.38 9icx h PHE 76 N 0.00 0.27 0.16 0.92 3.04 -1.29 -2.07 116.94 117.97 9icx h PHE 76 Ca 0.32 -0.20 -0.30 0.00 3.98 0.00 0.00 57.97 61.78 9icx h PHE 76 Cb 1.41 -0.01 0.03 0.00 2.56 0.00 0.00 35.95 39.94 9icx h PHE 76 CO 0.00 1.21 -1.25 -0.07 -2.02 0.00 0.00 178.31 176.18 9icx h LEU 77 N 0.04 0.83 -0.31 0.59 4.07 0.15 -3.32 115.31 117.37 9icx h LEU 77 Ca -0.17 -0.86 0.05 0.00 0.08 0.00 0.00 57.88 56.98 9icx h LEU 77 Cb 1.94 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 43.37 9icx h LEU 77 CO 0.15 1.61 0.02 0.00 -1.08 0.00 0.00 178.44 179.14 9icx h ALA 78 N 0.23 0.29 -3.78 1.53 0.00 0.36 -3.43 119.26 114.45 9icx h ALA 78 Ca -0.20 0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 9icx h ALA 78 Cb 1.94 0.12 -0.26 0.00 0.00 0.00 0.00 17.79 19.59 9icx h ALA 78 CO 0.24 -0.39 -0.77 0.95 0.00 0.00 0.00 179.25 179.28 9icx s THR 79 N -6.18 0.69 -0.69 0.00 -4.23 -0.78 -5.02 115.64 99.42 9icx s THR 79 Ca -0.13 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 9icx s THR 79 Cb 0.12 -0.62 0.00 0.00 1.34 0.00 0.00 72.50 73.34 9icx s THR 79 CO 0.70 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.42 9icx n GLY 80 N 2.42 0.00 3.61 3.99 0.00 -1.26 -4.17 105.19 109.79 9icx n GLY 80 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 9icx n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 9icx s LYS 81 N -0.69 1.94 -0.08 1.61 -0.14 -1.26 -5.05 119.74 116.07 9icx s LYS 81 Ca 0.00 -1.55 0.01 0.00 -1.36 0.00 0.00 55.97 53.07 9icx s LYS 81 Cb 0.00 0.51 0.02 0.00 -1.68 0.00 0.00 37.83 36.68 9icx s LYS 81 CO 0.00 -0.84 -0.09 -1.17 -0.76 0.00 0.00 175.35 172.49 9icx s LEU 82 N -3.14 1.38 0.12 3.17 2.96 -1.26 -3.77 118.68 118.14 9icx s LEU 82 Ca 0.24 -0.26 -0.25 0.00 -0.22 0.00 0.00 54.13 53.63 9icx s LEU 82 Cb -0.02 -0.75 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 9icx s LEU 82 CO 0.15 -0.05 1.64 -0.09 -1.32 0.00 0.00 176.35 176.69 9icx h ARG 83 N 7.50 -0.36 -0.88 1.98 2.43 -1.99 -0.16 114.38 122.90 9icx h ARG 83 Ca -0.31 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.07 9icx h ARG 83 Cb 1.16 0.08 -0.11 0.00 -0.42 0.00 0.00 29.97 30.68 9icx h ARG 83 CO 0.44 -0.24 0.42 -0.22 -1.51 0.00 0.00 179.97 178.86 9icx h LYS 84 N -0.37 0.50 -0.46 0.20 3.64 -1.98 0.81 116.57 118.90 9icx h LYS 84 Ca 0.06 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 9icx h LYS 84 Cb 0.46 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 9icx h LYS 84 CO -0.22 0.33 0.11 1.25 -2.27 0.00 0.00 179.45 178.65 9icx h LEU 85 N 0.51 0.71 -0.08 5.20 5.85 -1.82 -1.50 115.31 124.18 9icx h LEU 85 Ca 0.52 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 59.00 9icx h LEU 85 Cb 0.87 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 9icx h LEU 85 CO -0.45 0.76 0.04 1.05 -0.34 0.00 0.00 178.44 179.50 9icx h GLU 86 N 0.62 0.12 -0.87 1.25 4.11 0.21 -2.24 114.58 117.78 9icx h GLU 86 Ca 0.14 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.62 9icx h GLU 86 Cb 0.33 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 9icx h GLU 86 CO 0.00 0.19 0.55 -0.22 0.07 0.00 0.00 179.01 179.60 9icx h LYS 87 N 0.01 0.98 -0.06 1.06 3.64 0.30 -2.89 116.57 119.60 9icx h LYS 87 Ca 0.03 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 9icx h LYS 87 Cb 0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 9icx h LYS 87 CO -0.00 0.65 -0.33 0.82 -2.27 0.00 0.00 179.45 178.31 9icx h ILE 88 N 1.01 1.26 0.00 2.00 2.04 -1.13 -2.59 117.51 120.10 9icx h ILE 88 Ca 0.37 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.99 9icx h ILE 88 Cb 0.14 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 9icx h ILE 88 CO -0.16 0.36 0.00 0.03 0.00 0.00 0.00 178.15 178.38 9icx h ARG 89 N 0.10 0.00 0.00 2.37 3.08 -1.19 -3.33 114.38 115.42 9icx h ARG 89 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 9icx h ARG 89 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 9icx h ARG 89 CO 0.05 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.99 9icx n GLN 90 N -2.82 0.00 0.00 0.04 6.02 -1.09 -4.93 117.38 114.60 9icx n GLN 90 Ca 0.02 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 9icx n GLN 90 Cb 0.33 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.78 9icx n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 9icx n ASP 91 N -2.08 0.00 -0.30 1.08 2.03 -0.99 -4.78 116.55 111.50 9icx n ASP 91 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 9icx n ASP 91 Cb 0.00 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.69 9icx n ASP 91 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 9icx h ASP 92 N 0.00 0.82 -0.06 1.67 2.03 -1.91 -1.73 116.42 117.24 9icx h ASP 92 Ca 0.00 0.03 0.03 0.00 -0.73 0.00 0.00 57.03 56.36 9icx h ASP 92 Cb 0.00 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 38.33 9icx h ASP 92 CO 0.00 0.46 -0.12 0.74 -1.03 0.00 0.00 179.24 179.29 9icx h THR 93 N 0.89 0.69 -0.51 1.15 2.02 -1.97 0.39 112.91 115.57 9icx h THR 93 Ca 0.44 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.69 9icx h THR 93 Cb 0.47 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 67.51 9icx h THR 93 CO -0.20 0.00 0.19 -1.28 0.37 0.00 0.00 175.52 174.60 9icx h SER 94 N -0.17 0.20 0.29 4.18 0.87 -1.75 -1.12 113.55 116.05 9icx h SER 94 Ca 0.06 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 9icx h SER 94 Cb 0.26 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 9icx h SER 94 CO -0.16 0.14 -0.33 0.28 -0.53 0.00 0.00 176.83 176.23 9icx h SER 95 N 0.37 0.06 0.32 6.23 0.02 -0.48 -1.62 113.55 118.45 9icx h SER 95 Ca 0.25 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 9icx h SER 95 Cb 0.26 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 9icx h SER 95 CO -0.25 0.39 -0.37 0.28 -1.14 0.00 0.00 176.83 175.74 9icx h SER 96 N 0.05 0.07 -0.14 3.07 0.02 0.10 -2.34 113.55 114.39 9icx h SER 96 Ca 0.01 -0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 9icx h SER 96 Cb 0.61 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.13 9icx h SER 96 CO 0.04 0.44 -0.34 0.40 -1.14 0.00 0.00 176.83 176.23 9icx h ILE 97 N 0.06 1.36 0.00 3.27 2.04 -1.06 0.53 117.51 123.72 9icx h ILE 97 Ca 0.01 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.24 9icx h ILE 97 Cb 0.68 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.79 9icx h ILE 97 CO 0.05 0.49 -0.03 0.78 0.00 0.00 0.00 178.15 179.44 9icx h ASN 98 N 0.10 0.00 0.00 1.72 -0.26 -1.00 -3.00 115.58 113.14 9icx h ASN 98 Ca -0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.59 9icx h ASN 98 Cb 0.95 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.19 9icx h ASN 98 CO 0.07 0.03 -0.79 0.15 -1.06 0.00 0.00 177.43 175.84 9icx h PHE 99 N 0.00 0.01 -0.98 1.19 3.57 -1.20 -3.37 116.94 116.16 9icx h PHE 99 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 9icx h PHE 99 Cb 0.21 -0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.88 9icx h PHE 99 CO 0.00 1.31 0.62 -0.07 -2.23 0.00 0.00 178.31 177.94 9icx h LEU 100 N -0.98 0.95 -1.84 0.59 4.07 -0.87 -0.08 115.31 117.14 9icx h LEU 100 Ca -0.22 0.03 0.25 0.00 0.08 0.00 0.00 57.88 58.02 9icx h LEU 100 Cb 1.20 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.74 9icx h LEU 100 CO -0.12 0.56 0.75 0.74 -1.08 0.00 0.00 178.44 179.29 9icx h THR 101 N 1.06 0.34 0.00 0.22 2.02 -1.70 1.06 112.91 115.90 9icx h THR 101 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.63 9icx h THR 101 Cb 0.31 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 9icx h THR 101 CO -0.22 0.00 0.00 0.03 0.37 0.00 0.00 175.52 175.70 9icx h ARG 102 N 0.00 0.00 -6.80 6.66 3.08 -1.15 -3.43 114.38 112.74 9icx h ARG 102 Ca 0.41 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.97 9icx h ARG 102 Cb 1.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.94 9icx h ARG 102 CO -0.00 0.00 0.38 0.08 -1.07 0.00 0.00 179.97 179.36 9icx s VAL 103 N -3.48 3.94 -0.20 2.04 1.01 0.37 -4.95 120.40 119.12 9icx s VAL 103 Ca 0.02 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 9icx s VAL 103 Cb 0.09 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 9icx s VAL 103 CO 0.44 0.39 1.53 -0.55 0.00 0.00 0.00 175.10 176.90 9icx s SER 104 N -1.20 6.54 0.00 3.32 0.15 -1.26 -1.85 113.70 119.40 9icx s SER 104 Ca 0.44 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.76 9icx s SER 104 Cb -0.26 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 9icx s SER 104 CO 0.33 -1.11 0.00 0.61 1.20 0.00 0.00 173.24 174.26 9icx n GLY 105 N 4.38 0.84 3.27 9.45 0.00 -1.26 -3.71 105.19 118.16 9icx n GLY 105 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 9icx n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9icx s ILE 106 N -2.00 2.47 0.23 -0.61 1.01 -0.77 -4.69 121.20 116.83 9icx s ILE 106 Ca 0.00 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.79 9icx s ILE 106 Cb 0.00 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.47 9icx s ILE 106 CO 0.00 0.54 0.02 0.61 0.00 0.00 0.00 174.94 176.11 9icx n GLY 107 N 3.66 3.84 0.22 6.18 0.00 -1.26 -4.50 105.19 113.32 9icx n GLY 107 Ca -0.19 -2.20 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 9icx n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 9icx h PRO 108 N 0.00 0.18 0.10 1.61 0.11 -1.93 0.28 132.00 132.35 9icx h PRO 108 Ca -0.18 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.93 9icx h PRO 108 Cb 0.59 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 9icx h PRO 108 CO 0.30 0.12 -0.15 1.03 -0.21 0.00 0.00 178.00 179.09 9icx h SER 109 N 0.18 -0.42 -0.48 -2.05 0.87 -1.95 0.19 113.55 109.89 9icx h SER 109 Ca 0.28 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 9icx h SER 109 Cb 0.43 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 9icx h SER 109 CO -0.42 -0.23 0.15 0.00 -0.53 0.00 0.00 176.83 175.81 9icx h ALA 110 N 0.54 1.26 0.29 6.23 0.00 -1.81 -2.29 119.26 123.48 9icx h ALA 110 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 9icx h ALA 110 Cb 0.32 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 9icx h ALA 110 CO -0.08 0.52 -0.38 0.00 0.00 0.00 0.00 179.25 179.32 9icx h ALA 111 N 1.38 -0.76 -0.31 0.00 0.00 0.25 -0.63 119.26 119.19 9icx h ALA 111 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.05 9icx h ALA 111 Cb 0.26 0.57 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 9icx h ALA 111 CO -0.01 -0.97 -0.24 0.00 0.00 0.00 0.00 179.25 178.03 9icx h ARG 112 N -0.72 -0.20 -0.35 0.00 3.08 -0.12 -1.56 114.38 114.52 9icx h ARG 112 Ca -0.01 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.12 9icx h ARG 112 Cb 0.67 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.71 9icx h ARG 112 CO -0.12 -0.13 -0.02 -0.22 -1.07 0.00 0.00 179.97 178.40 9icx h LYS 113 N -0.21 0.07 -0.60 0.04 3.64 -1.19 -2.15 116.57 116.17 9icx h LYS 113 Ca 0.16 -0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 9icx h LYS 113 Cb 0.46 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 9icx h LYS 113 CO -0.43 0.04 0.25 0.74 -2.27 0.00 0.00 179.45 177.78 9icx h PHE 114 N 0.07 0.43 -0.17 1.91 0.04 -0.20 -2.24 116.94 116.78 9icx h PHE 114 Ca 0.17 0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.89 9icx h PHE 114 Cb 0.24 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 9icx h PHE 114 CO -0.26 0.14 -0.24 0.28 -0.60 0.00 0.00 178.31 177.62 9icx h VAL 115 N 0.45 1.24 -0.11 -0.55 2.07 -1.03 0.90 116.25 119.22 9icx h VAL 115 Ca 0.29 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.68 9icx h VAL 115 Cb 0.32 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 9icx h VAL 115 CO -0.27 0.35 0.00 0.47 0.02 0.00 0.00 177.57 178.14 9icx n ASP 116 N -4.16 0.65 0.00 0.57 8.00 -0.84 -1.00 116.55 119.77 9icx n ASP 116 Ca -0.01 -1.88 0.00 0.00 0.71 0.00 0.00 54.79 53.61 9icx n ASP 116 Cb 0.37 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 9icx n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 9icx n GLU 117 N -0.20 1.58 -1.51 -1.24 1.02 -0.51 -4.98 120.64 114.80 9icx n GLU 117 Ca 0.07 -1.09 -0.03 0.00 -0.02 0.00 0.00 57.16 56.09 9icx n GLU 117 Cb 0.12 -0.93 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 9icx n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 9icx n GLY 118 N -0.31 0.44 3.44 0.62 0.00 -0.17 -5.02 105.19 104.19 9icx n GLY 118 Ca 0.00 -0.88 -0.44 0.00 0.00 0.00 0.00 46.02 44.71 9icx n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 9icx s ILE 119 N -2.12 5.06 -0.01 -0.61 1.01 0.30 -4.88 121.20 119.95 9icx s ILE 119 Ca 0.00 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.01 9icx s ILE 119 Cb 0.00 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.33 9icx s ILE 119 CO 0.00 -0.61 0.92 0.29 0.00 0.00 0.00 174.94 175.53 9icx n LYS 120 N 5.66 2.29 -4.02 2.79 5.02 -1.26 -3.57 118.16 125.07 9icx n LYS 120 Ca -0.09 -1.37 -0.10 0.00 -2.02 0.00 0.00 58.31 54.73 9icx n LYS 120 Cb 0.45 -0.93 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 9icx n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 9icx s THR 121 N -0.91 0.00 0.26 -0.18 -4.23 -1.26 -4.86 115.64 104.46 9icx s THR 121 Ca 0.02 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.06 9icx s THR 121 Cb 0.02 -2.29 0.24 0.00 1.34 0.00 0.00 72.50 71.81 9icx s THR 121 CO 0.00 0.00 1.81 -0.07 -0.54 0.00 0.00 174.62 175.82 9icx h LEU 122 N 2.25 0.74 -0.85 4.79 3.38 -1.98 0.18 115.31 123.81 9icx h LEU 122 Ca -0.27 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 9icx h LEU 122 Cb 1.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 9icx h LEU 122 CO 0.37 0.40 -0.17 -0.33 0.09 0.00 0.00 178.44 178.79 9icx h GLU 123 N 0.83 0.67 -0.35 1.13 5.08 -1.99 -0.82 114.58 119.13 9icx h GLU 123 Ca 0.44 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 9icx h GLU 123 Cb 0.44 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 9icx h GLU 123 CO -0.27 0.80 0.11 -0.44 -1.00 0.00 0.00 179.01 178.22 9icx h ASP 124 N 0.60 0.11 0.30 1.42 3.32 -1.36 -0.96 116.42 119.86 9icx h ASP 124 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 9icx h ASP 124 Cb 0.63 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 9icx h ASP 124 CO 0.04 0.10 -0.22 -0.07 -1.72 0.00 0.00 179.24 177.37 9icx h LEU 125 N 0.26 -0.58 -1.16 1.55 3.38 -0.23 -1.62 115.31 116.91 9icx h LEU 125 Ca 0.16 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.33 9icx h LEU 125 Cb 0.14 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 9icx h LEU 125 CO -0.17 -0.34 0.60 0.03 0.09 0.00 0.00 178.44 178.65 9icx h ARG 126 N -0.53 0.74 0.00 1.13 3.08 -0.47 -0.49 114.38 117.85 9icx h ARG 126 Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 9icx h ARG 126 Cb 0.46 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 9icx h ARG 126 CO -0.00 0.49 -0.26 0.87 -1.07 0.00 0.00 179.97 180.00 9icx h LYS 127 N 0.77 0.00 -0.88 0.04 1.79 -0.73 -2.92 116.57 114.63 9icx h LYS 127 Ca 0.50 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.38 9icx h LYS 127 Cb 0.75 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 31.01 9icx h LYS 127 CO -0.26 0.26 -0.37 0.09 -1.08 0.00 0.00 179.45 178.09 9icx n ASN 128 N -4.08 5.64 0.08 0.86 3.02 -0.25 -4.76 115.26 115.77 9icx n ASN 128 Ca -0.02 -3.76 0.18 0.00 -0.03 0.00 0.00 54.58 50.95 9icx n ASN 128 Cb 0.32 -0.52 0.71 0.00 -0.61 0.00 0.00 39.78 39.69 9icx n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 9icx h GLU 129 N 2.18 0.00 -0.20 3.52 4.81 -1.20 -2.03 114.58 121.66 9icx h GLU 129 Ca 0.43 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 9icx h GLU 129 Cb 1.29 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 9icx h GLU 129 CO 0.98 0.00 0.05 0.38 -0.73 0.00 0.00 179.01 179.69 9icx h ASP 130 N 0.00 0.25 -0.22 1.04 2.03 -1.88 -2.48 116.42 115.15 9icx h ASP 130 Ca 0.19 -0.02 -0.04 0.00 -0.73 0.00 0.00 57.03 56.42 9icx h ASP 130 Cb 0.80 -0.06 -0.03 0.00 -0.83 0.00 0.00 39.33 39.21 9icx h ASP 130 CO -0.00 0.26 0.05 0.29 -1.03 0.00 0.00 179.24 178.81 9icx n LYS 131 N -4.42 2.06 -4.32 4.15 5.02 -0.76 -4.81 118.16 115.07 9icx n LYS 131 Ca -0.00 -1.02 -0.24 0.00 -2.02 0.00 0.00 58.31 55.04 9icx n LYS 131 Cb 0.14 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 9icx n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 9icx s LEU 132 N -0.94 2.28 0.74 -0.35 1.43 -0.94 -5.13 118.68 115.77 9icx s LEU 132 Ca 0.18 -0.66 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 9icx s LEU 132 Cb 0.14 -0.87 0.14 0.00 0.03 0.00 0.00 46.19 45.63 9icx s LEU 132 CO 0.05 0.06 1.02 0.54 0.23 0.00 0.00 176.35 178.25 9icx s ASN 133 N -1.80 4.22 0.16 2.29 4.22 -1.26 -4.77 114.94 118.00 9icx s ASN 133 Ca 0.06 -0.48 -0.23 0.00 -2.14 0.00 0.00 52.86 50.07 9icx s ASN 133 Cb -0.10 0.18 0.05 0.00 1.28 0.00 0.00 41.25 42.67 9icx s ASN 133 CO 0.04 -1.96 1.61 -0.74 -2.04 0.00 0.00 177.10 174.00 9icx h HIS 134 N -0.58 -0.80 0.01 1.54 -0.00 -1.97 0.63 115.15 113.97 9icx h HIS 134 Ca -0.35 0.05 0.02 0.00 -0.00 0.00 0.00 60.37 60.09 9icx h HIS 134 Cb 1.26 0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 29.05 9icx h HIS 134 CO -0.27 -0.36 -0.11 1.25 -0.00 0.00 0.00 177.93 178.44 9icx h HIS 135 N -0.26 -0.29 -0.81 5.26 -0.00 -1.90 -1.41 115.15 115.74 9icx h HIS 135 Ca 0.16 0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.61 9icx h HIS 135 Cb 0.51 0.13 -0.06 0.00 -0.00 0.00 0.00 27.41 27.99 9icx h HIS 135 CO -0.48 -0.17 0.49 1.96 -0.00 0.00 0.00 177.93 179.72 9icx h GLN 136 N -0.20 0.85 -0.32 5.26 4.20 -1.45 0.22 115.11 123.67 9icx h GLN 136 Ca 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 9icx h GLN 136 Cb 0.25 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 9icx h GLN 136 CO -0.11 0.56 0.18 0.00 -0.67 0.00 0.00 178.83 178.79 9icx h ARG 137 N 0.87 0.44 -0.61 1.46 3.08 0.70 -0.85 114.38 119.48 9icx h ARG 137 Ca 0.36 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.40 9icx h ARG 137 Cb 0.22 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 9icx h ARG 137 CO -0.19 0.37 0.36 0.82 -1.07 0.00 0.00 179.97 180.26 9icx h ILE 138 N 0.39 1.05 -0.79 2.04 1.08 -0.36 0.15 117.51 121.08 9icx h ILE 138 Ca 0.11 -0.24 0.03 0.00 -0.39 0.00 0.00 64.86 64.37 9icx h ILE 138 Cb 0.06 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.04 9icx h ILE 138 CO -0.02 0.13 0.52 1.23 -0.69 0.00 0.00 178.15 179.32 9icx h GLY 139 N 0.71 1.12 0.34 5.37 0.00 -0.08 -2.14 103.07 108.38 9icx h GLY 139 Ca 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 9icx h GLY 139 CO -0.12 0.34 -0.02 -2.00 0.00 0.00 0.00 176.54 174.74 9icx h LEU 140 N 0.98 -0.05 -1.89 3.11 5.85 -0.41 -2.47 115.31 120.43 9icx h LEU 140 Ca 0.31 -0.57 0.18 0.00 0.84 0.00 0.00 57.88 58.64 9icx h LEU 140 Cb 0.03 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 9icx h LEU 140 CO -0.09 0.58 0.58 0.50 -0.34 0.00 0.00 178.44 179.67 9icx h LYS 141 N -0.73 0.00 0.00 1.25 3.64 -0.38 -2.10 116.57 118.25 9icx h LYS 141 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 9icx h LYS 141 Cb 0.62 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 9icx h LYS 141 CO 0.01 0.00 -0.38 0.66 -2.27 0.00 0.00 179.45 177.48 9icx n TYR 142 N -3.80 0.00 -0.32 1.91 4.01 -0.84 -4.84 117.16 113.28 9icx n TYR 142 Ca 0.12 -1.12 0.15 0.00 -0.16 0.00 0.00 57.90 56.89 9icx n TYR 142 Cb 0.81 -0.19 0.31 0.00 -0.31 0.00 0.00 39.34 39.96 9icx n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 9icx h PHE 143 N 0.57 0.21 0.00 -0.72 3.04 -0.88 0.41 116.94 119.57 9icx h PHE 143 Ca -0.02 0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.99 9icx h PHE 143 Cb 1.12 0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.68 9icx h PHE 143 CO 0.39 -0.33 0.00 0.41 -2.02 0.00 0.00 178.31 176.75 9icx n GLY 144 N -1.42 -1.86 0.30 2.40 0.00 -1.26 -3.20 105.19 100.15 9icx n GLY 144 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.33 9icx n GLY 144 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 9icx n ASP 145 N -1.81 -0.22 0.00 1.61 8.00 -0.91 0.19 116.55 123.41 9icx n ASP 145 Ca 0.00 1.44 0.08 0.00 0.71 0.00 0.00 54.79 57.02 9icx n ASP 145 Cb 0.00 -0.47 0.43 0.00 -0.02 0.00 0.00 41.12 41.06 9icx n ASP 145 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 9icx n PHE 146 N -5.31 0.00 0.58 1.24 3.72 0.09 -1.41 117.46 116.36 9icx n PHE 146 Ca 0.16 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.62 9icx n PHE 146 Cb 0.51 -0.10 -0.06 0.00 -0.94 0.00 0.00 39.48 38.89 9icx n PHE 146 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 9icx n GLU 147 N -1.10 2.88 -2.53 -1.08 1.02 0.52 -4.92 120.64 115.43 9icx n GLU 147 Ca 0.10 -0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 9icx n GLU 147 Cb 0.08 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 9icx n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 9icx s LYS 148 N -2.11 4.38 1.22 3.49 1.02 -0.50 -5.01 119.74 122.23 9icx s LYS 148 Ca 0.05 1.59 -0.14 0.00 0.02 0.00 0.00 55.97 57.49 9icx s LYS 148 Cb 0.09 -3.54 0.29 0.00 -0.52 0.00 0.00 37.83 34.16 9icx s LYS 148 CO 0.49 -0.38 0.90 0.54 -0.92 0.00 0.00 175.35 175.97 9icx n ARG 149 N 5.01 -2.74 -4.06 1.68 5.12 -1.26 -4.95 116.66 115.46 9icx n ARG 149 Ca 0.10 -0.78 -0.32 0.00 -1.93 0.00 0.00 57.85 54.92 9icx n ARG 149 Cb 0.47 -2.09 -0.15 0.00 -1.16 0.00 0.00 32.46 29.53 9icx n ARG 149 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 9icx s ILE 150 N -2.35 2.06 0.22 0.55 1.01 0.92 -4.89 121.20 118.73 9icx s ILE 150 Ca 0.67 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.59 9icx s ILE 150 Cb -0.24 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 9icx s ILE 150 CO 0.65 0.09 1.36 -2.16 0.00 0.00 0.00 174.94 174.88 9icx s PRO 151 N 1.18 4.35 0.46 2.79 0.04 -1.26 0.35 135.00 142.90 9icx s PRO 151 Ca -0.06 2.14 0.27 0.00 0.04 0.00 0.00 61.00 63.39 9icx s PRO 151 Cb -0.18 -3.16 1.31 0.00 0.04 0.00 0.00 34.50 32.50 9icx s PRO 151 CO -0.07 -0.31 1.77 0.07 0.04 0.00 0.00 177.00 178.50 9icx h ARG 152 N 5.27 0.21 0.00 4.56 0.11 0.23 0.76 114.38 125.51 9icx h ARG 152 Ca -0.45 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.62 9icx h ARG 152 Cb 1.22 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.25 9icx h ARG 152 CO 0.77 0.14 0.00 1.05 0.10 0.00 0.00 179.97 182.03 9icx h GLU 153 N 0.21 0.00 0.14 0.08 9.09 -1.92 -2.07 114.58 120.12 9icx h GLU 153 Ca 0.61 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.67 9icx h GLU 153 Cb 1.90 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 29.00 9icx h GLU 153 CO -0.20 0.00 -1.82 0.93 0.05 0.00 0.00 179.01 177.97 9icx h GLU 154 N 0.00 0.30 -0.38 1.06 5.08 0.14 -3.30 114.58 117.47 9icx h GLU 154 Ca 0.00 -0.51 0.08 0.00 -1.00 0.00 0.00 59.36 57.93 9icx h GLU 154 Cb 0.31 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 9icx h GLU 154 CO 0.00 1.24 -0.24 0.52 -1.00 0.00 0.00 179.01 179.54 9icx h MET 155 N -0.01 -0.17 -0.23 2.33 2.86 -0.78 0.28 114.93 119.22 9icx h MET 155 Ca -0.38 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.30 9icx h MET 155 Cb 1.99 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 9icx h MET 155 CO 0.10 -0.11 0.16 -0.07 1.06 0.00 0.00 176.91 178.04 9icx h LEU 156 N -0.18 0.15 -0.22 1.22 3.38 -1.56 0.40 115.31 118.51 9icx h LEU 156 Ca 0.18 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 9icx h LEU 156 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 9icx h LEU 156 CO -0.49 0.11 -0.86 1.56 0.09 0.00 0.00 178.44 178.85 9icx h GLN 157 N 0.18 0.52 0.00 1.13 4.20 -0.64 -2.70 115.11 117.80 9icx h GLN 157 Ca 0.10 -0.49 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 9icx h GLN 157 Cb 0.17 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.07 9icx h GLN 157 CO -0.02 1.12 -0.00 0.52 -0.67 0.00 0.00 178.83 179.79 9icx h MET 158 N 0.32 -0.00 -0.37 1.46 2.86 0.51 -2.65 114.93 117.06 9icx h MET 158 Ca -0.07 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.65 9icx h MET 158 Cb 1.48 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.07 9icx h MET 158 CO 0.16 0.32 -0.10 0.37 1.06 0.00 0.00 176.91 178.72 9icx h GLN 159 N -0.33 -0.00 -0.70 1.72 4.15 -0.37 0.50 115.11 120.08 9icx h GLN 159 Ca -0.00 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 9icx h GLN 159 Cb 0.33 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 9icx h GLN 159 CO 0.00 -0.00 0.46 0.22 -1.93 0.00 0.00 178.83 177.58 9icx h ASP 160 N -0.00 0.60 0.07 -0.69 3.58 -1.43 -1.18 116.42 117.36 9icx h ASP 160 Ca 0.18 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 9icx h ASP 160 Cb 0.28 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.21 9icx h ASP 160 CO -0.39 0.38 -0.04 0.40 -2.88 0.00 0.00 179.24 176.72 9icx h ILE 161 N 0.68 1.21 -0.09 2.25 2.04 -0.58 -3.05 117.51 119.97 9icx h ILE 161 Ca 0.31 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.96 9icx h ILE 161 Cb 0.33 1.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 9icx h ILE 161 CO -0.10 0.30 -0.34 0.58 0.00 0.00 0.00 178.15 178.58 9icx h VAL 162 N -0.69 0.26 -0.57 1.67 2.07 -0.96 -0.32 116.25 117.70 9icx h VAL 162 Ca -0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 9icx h VAL 162 Cb 0.56 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 9icx h VAL 162 CO 0.02 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.81 9icx h LEU 163 N -0.45 0.37 -1.23 2.57 3.38 -1.34 0.26 115.31 118.88 9icx h LEU 163 Ca 0.08 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 9icx h LEU 163 Cb 0.57 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 9icx h LEU 163 CO -0.33 0.24 -0.25 0.78 0.09 0.00 0.00 178.44 178.97 9icx h ASN 164 N 0.52 0.21 -0.05 -0.43 2.35 -1.34 -2.24 115.58 114.60 9icx h ASN 164 Ca 0.27 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.75 9icx h ASN 164 Cb 0.22 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.55 9icx h ASN 164 CO -0.21 0.47 -0.78 -0.33 -1.65 0.00 0.00 177.43 174.93 9icx h GLU 165 N 0.20 0.62 -0.86 0.81 4.39 0.05 -2.73 114.58 117.05 9icx h GLU 165 Ca 0.03 -0.60 -0.03 0.00 0.34 0.00 0.00 59.36 59.11 9icx h GLU 165 Cb 0.55 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 9icx h GLU 165 CO 0.04 1.21 0.42 0.28 -1.16 0.00 0.00 179.01 179.80 9icx h VAL 166 N 0.25 1.26 0.11 3.13 2.07 -0.94 -2.72 116.25 119.42 9icx h VAL 166 Ca -0.08 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.73 9icx h VAL 166 Cb 1.44 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 9icx h VAL 166 CO 0.16 0.31 -0.30 0.50 0.02 0.00 0.00 177.57 178.26 9icx h LYS 167 N 1.23 -0.49 -1.00 1.57 3.64 -1.38 -1.97 116.57 118.17 9icx h LYS 167 Ca 0.30 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.84 9icx h LYS 167 Cb 0.11 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 9icx h LYS 167 CO -0.04 -0.33 0.63 1.57 -2.27 0.00 0.00 179.45 179.01 9icx h LYS 168 N -0.51 0.92 -0.42 1.90 2.10 -1.24 -1.56 116.57 117.75 9icx h LYS 168 Ca 0.03 -0.06 -0.07 0.00 -2.00 0.00 0.00 60.65 58.56 9icx h LYS 168 Cb 0.54 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 9icx h LYS 168 CO -0.18 0.61 -0.01 -0.24 -2.00 0.00 0.00 179.45 177.63 9icx h VAL 169 N 0.94 1.23 -0.73 0.07 3.04 -1.08 -3.44 116.25 116.29 9icx h VAL 169 Ca 0.51 -0.95 0.19 0.00 -1.01 0.00 0.00 66.70 65.44 9icx h VAL 169 Cb 0.56 0.92 -0.23 0.00 -2.01 0.00 0.00 31.29 30.53 9icx h VAL 169 CO -0.28 0.33 0.14 -0.62 -1.01 0.00 0.00 177.57 176.14 9icx s ASP 170 N -6.68 -0.61 0.59 3.17 -1.08 -0.59 -5.02 116.67 106.46 9icx s ASP 170 Ca -0.09 0.60 0.29 0.00 -0.52 0.00 0.00 52.55 52.83 9icx s ASP 170 Cb 0.15 1.60 1.59 0.00 -1.46 0.00 0.00 42.92 44.79 9icx s ASP 170 CO 0.80 -0.12 1.88 0.28 0.52 0.00 0.00 175.17 178.53 9icx h SER 171 N 7.73 0.00 0.18 -0.34 0.02 -1.81 -1.29 113.55 118.04 9icx h SER 171 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 9icx h SER 171 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 9icx h SER 171 CO 0.03 0.00 -0.08 1.21 -1.14 0.00 0.00 176.83 176.85 9icx n GLU 172 N -2.74 1.02 -1.83 3.45 4.07 -1.26 -4.91 120.64 118.43 9icx n GLU 172 Ca -0.02 -0.42 -0.31 0.00 -0.06 0.00 0.00 57.16 56.35 9icx n GLU 172 Cb 0.30 -1.49 0.03 0.00 -0.06 0.00 0.00 31.44 30.21 9icx n GLU 172 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 9icx s TYR 173 N -2.27 3.47 -0.20 4.31 2.02 -0.49 -4.35 117.35 119.84 9icx s TYR 173 Ca 0.34 1.24 -0.02 0.00 -0.37 0.00 0.00 57.07 58.26 9icx s TYR 173 Cb 0.21 -2.83 0.06 0.00 -0.40 0.00 0.00 41.96 38.99 9icx s TYR 173 CO 0.42 -0.90 0.03 0.42 -1.57 0.00 0.00 175.55 173.95 9icx s ILE 174 N -3.21 0.66 0.08 2.71 1.01 -0.80 -5.00 121.20 116.66 9icx s ILE 174 Ca 0.56 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.59 9icx s ILE 174 Cb -0.11 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 9icx s ILE 174 CO 0.54 -0.22 -0.06 0.00 0.00 0.00 0.00 174.94 175.20 9icx s ALA 175 N 1.79 3.10 -0.08 9.38 0.00 -1.26 -2.10 121.76 132.59 9icx s ALA 175 Ca -0.01 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 50.75 9icx s ALA 175 Cb -0.17 -1.06 0.03 0.00 0.00 0.00 0.00 23.12 21.92 9icx s ALA 175 CO -0.09 0.66 0.21 0.99 0.00 0.00 0.00 175.76 177.53 9icx s THR 176 N -1.21 -0.03 -0.34 0.00 2.01 -0.54 -4.97 115.64 110.57 9icx s THR 176 Ca 0.22 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.18 9icx s THR 176 Cb -0.11 -0.31 -0.02 0.00 0.01 0.00 0.00 72.50 72.07 9icx s THR 176 CO 0.14 0.04 0.28 -0.69 -0.69 0.00 0.00 174.62 173.70 9icx s VAL 177 N 0.78 5.25 0.00 3.82 1.01 -1.26 -0.26 120.40 129.74 9icx s VAL 177 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.81 9icx s VAL 177 Cb -0.07 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.57 9icx s VAL 177 CO -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.03 9icx n GLY 179 N 5.00 -2.61 0.32 0.00 0.00 -1.21 -4.02 105.19 102.68 9icx n GLY 179 Ca 0.00 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.54 9icx n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 9icx h SER 180 N 0.00 0.00 -0.97 1.61 4.64 -1.87 -1.02 113.55 115.95 9icx h SER 180 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 9icx h SER 180 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 9icx h SER 180 CO 0.00 0.00 0.53 0.15 -0.87 0.00 0.00 176.83 176.64 9icx h PHE 181 N 0.00 0.91 -0.07 4.77 3.57 -1.84 0.65 116.94 124.93 9icx h PHE 181 Ca 0.01 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.43 9icx h PHE 181 Cb 0.11 -0.25 0.01 0.00 2.79 0.00 0.00 35.95 38.60 9icx h PHE 181 CO 0.00 0.05 -0.41 -0.09 -2.23 0.00 0.00 178.31 175.62 9icx h ARG 182 N 0.54 0.40 -0.31 1.11 2.43 -1.36 -3.15 114.38 114.03 9icx h ARG 182 Ca 0.61 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 9icx h ARG 182 Cb 1.14 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 9icx h ARG 182 CO -0.48 0.98 0.00 0.54 -1.51 0.00 0.00 179.97 179.50 9icx n ARG 183 N -4.34 0.80 0.00 0.20 1.74 0.10 -4.25 116.66 110.91 9icx n ARG 183 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 9icx n ARG 183 Cb 0.56 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 9icx n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 9icx n GLY 184 N 0.22 2.18 0.00 -0.13 0.00 -0.48 -4.16 105.19 102.82 9icx n GLY 184 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 9icx n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9icx n ALA 185 N 0.00 -0.39 0.25 4.61 0.00 -1.07 -4.79 120.51 119.13 9icx n ALA 185 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 9icx n ALA 185 Cb 0.00 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.07 9icx n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 9icx h GLU 186 N 0.00 0.00 -3.28 0.00 4.39 -1.94 -3.44 114.58 110.31 9icx h GLU 186 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 9icx h GLU 186 Cb 0.00 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 9icx h GLU 186 CO 0.00 0.11 0.10 -1.54 -1.16 0.00 0.00 179.01 176.52 9icx s SER 187 N -5.95 -0.09 0.27 1.42 1.04 -1.26 0.22 113.70 109.34 9icx s SER 187 Ca -0.00 -0.85 -0.21 0.00 0.48 0.00 0.00 55.95 55.37 9icx s SER 187 Cb 0.10 0.70 0.03 0.00 0.10 0.00 0.00 66.02 66.95 9icx s SER 187 CO 0.58 -1.33 0.72 -0.44 0.98 0.00 0.00 173.24 173.75 9icx s SER 188 N -2.99 -0.28 -0.07 7.02 0.01 1.08 -4.82 113.70 113.65 9icx s SER 188 Ca 0.17 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.61 9icx s SER 188 Cb -0.04 0.71 -0.22 0.00 0.21 0.00 0.00 66.02 66.68 9icx s SER 188 CO 0.09 -1.30 1.04 1.23 0.41 0.00 0.00 173.24 174.71 9icx h GLY 189 N 2.00 -0.02 -1.94 3.44 0.00 -1.93 2.76 103.07 107.38 9icx h GLY 189 Ca -0.20 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 9icx h GLY 189 CO 0.24 -0.01 0.04 0.51 0.00 0.00 0.00 176.54 177.33 9icx s ASP 190 N -5.87 -0.03 -0.19 0.19 1.47 -1.26 -4.63 116.67 106.35 9icx s ASP 190 Ca -0.17 -0.91 -0.06 0.00 1.18 0.00 0.00 52.55 52.60 9icx s ASP 190 Cb -0.00 0.68 -0.03 0.00 -0.34 0.00 0.00 42.92 43.23 9icx s ASP 190 CO 0.66 -1.30 0.01 -0.32 0.68 0.00 0.00 175.17 174.90 9icx s MET 191 N -3.64 3.73 -0.26 2.11 -2.45 -0.42 -5.02 119.30 113.35 9icx s MET 191 Ca 0.18 -0.47 0.02 0.00 -1.25 0.00 0.00 55.69 54.17 9icx s MET 191 Cb -0.03 -3.10 0.05 0.00 1.25 0.00 0.00 34.83 33.00 9icx s MET 191 CO 0.10 0.13 -0.10 0.34 1.05 0.00 0.00 175.02 176.54 9icx s ASP 192 N 0.72 4.37 -0.20 1.11 -1.08 -1.26 -0.05 116.67 120.28 9icx s ASP 192 Ca 0.01 -1.25 -0.06 0.00 -0.52 0.00 0.00 52.55 50.73 9icx s ASP 192 Cb -0.14 -1.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.71 9icx s ASP 192 CO 0.02 -0.18 0.03 -0.69 0.52 0.00 0.00 175.17 174.87 9icx s VAL 193 N 1.17 4.28 -0.33 1.11 1.01 0.20 -1.25 120.40 126.59 9icx s VAL 193 Ca -0.06 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 9icx s VAL 193 Cb -0.19 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 9icx s VAL 193 CO -0.05 0.43 0.43 -0.76 0.00 0.00 0.00 175.10 175.15 9icx s LEU 194 N 0.83 4.32 -0.02 3.92 1.02 0.64 -1.31 118.68 128.08 9icx s LEU 194 Ca 0.02 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.18 9icx s LEU 194 Cb -0.14 -2.47 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 9icx s LEU 194 CO 0.02 -0.37 -0.13 -0.22 0.02 0.00 0.00 176.35 175.67 9icx s LEU 195 N 2.19 2.80 0.15 1.79 2.96 0.81 -1.46 118.68 127.93 9icx s LEU 195 Ca 0.16 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 9icx s LEU 195 Cb -0.16 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 9icx s LEU 195 CO 0.12 0.32 0.21 0.28 -1.32 0.00 0.00 176.35 175.96 9icx s THR 196 N -0.82 0.08 -0.09 3.68 -1.32 -0.89 0.18 115.64 116.45 9icx s THR 196 Ca 0.13 -1.57 -0.18 0.00 -1.21 0.00 0.00 61.69 58.86 9icx s THR 196 Cb -0.11 -1.92 0.04 0.00 -1.51 0.00 0.00 72.50 69.01 9icx s THR 196 CO 0.03 -0.35 0.45 -2.28 -2.21 0.00 0.00 174.62 170.26 9icx s HIS 197 N -4.00 -0.42 0.18 9.09 2.46 -1.26 -1.90 115.29 119.44 9icx s HIS 197 Ca 0.20 0.88 -0.12 0.00 0.47 0.00 0.00 55.06 56.49 9icx s HIS 197 Cb 0.05 0.19 0.10 0.00 -0.13 0.00 0.00 32.58 32.78 9icx s HIS 197 CO 0.01 -0.37 1.79 -1.00 -2.47 0.00 0.00 174.74 172.70 9icx h PRO 198 N 4.40 0.89 -1.40 2.88 0.14 -1.97 -2.38 132.00 134.57 9icx h PRO 198 Ca -0.28 -0.11 0.00 0.00 0.14 0.00 0.00 66.00 65.75 9icx h PRO 198 Cb 1.17 -0.17 0.00 0.00 0.14 0.00 0.00 31.00 32.14 9icx h PRO 198 CO 0.31 0.69 0.00 -1.13 0.14 0.00 0.00 178.00 178.01 9icx n SER 199 N -4.53 2.80 -3.28 1.44 3.41 -1.26 -4.59 113.62 107.61 9icx n SER 199 Ca 0.04 -1.70 -0.00 0.00 -0.26 0.00 0.00 58.87 56.95 9icx n SER 199 Cb 0.10 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 9icx n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 9icx s PHE 200 N 0.26 -1.37 0.20 7.33 5.36 -0.89 -4.95 117.98 123.92 9icx s PHE 200 Ca 0.00 1.60 -0.16 0.00 -0.96 0.00 0.00 56.93 57.40 9icx s PHE 200 Cb 0.00 0.47 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 9icx s PHE 200 CO 0.00 -0.80 0.51 -0.08 -1.46 0.00 0.00 175.22 173.39 9icx s THR 201 N 2.79 0.03 0.00 0.12 -1.32 -1.26 0.39 115.64 116.38 9icx s THR 201 Ca 0.15 -0.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 9icx s THR 201 Cb -0.15 -1.69 0.00 0.00 -1.51 0.00 0.00 72.50 69.15 9icx s THR 201 CO -0.19 -0.12 0.00 -0.24 -2.21 0.00 0.00 174.62 171.86 9icx n SER 202 N -0.34 0.00 -0.08 8.08 2.88 -1.26 -0.51 113.62 122.39 9icx n SER 202 Ca -0.08 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.30 9icx n SER 202 Cb 0.62 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.97 9icx n SER 202 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 9icx h GLU 203 N 0.00 0.00 -2.08 -1.46 3.07 -2.02 -3.48 114.58 108.61 9icx h GLU 203 Ca 0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 9icx h GLU 203 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 9icx h GLU 203 CO 0.00 0.87 0.33 -1.13 -1.40 0.00 0.00 179.01 177.69 9icx n SER 204 N -4.56 0.35 -4.56 1.42 3.41 0.33 -4.73 113.62 105.29 9icx n SER 204 Ca -0.17 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.38 9icx n SER 204 Cb 0.51 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 9icx n SER 204 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 9icx s THR 205 N 1.48 3.51 0.00 6.66 -1.32 -1.26 -4.66 115.64 120.04 9icx s THR 205 Ca 0.39 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.19 9icx s THR 205 Cb -0.52 -4.26 0.00 0.00 -1.51 0.00 0.00 72.50 66.21 9icx s THR 205 CO 0.26 -1.18 0.00 0.29 -2.21 0.00 0.00 174.62 171.78 9icx n LYS 206 N 9.15 0.00 0.00 7.08 4.76 -1.26 -5.01 118.16 132.88 9icx n LYS 206 Ca 0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 9icx n LYS 206 Cb 0.51 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.65 9icx n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 9icx n GLN 207 N -0.54 0.00 0.07 1.97 7.27 -1.26 -5.03 117.38 119.87 9icx n GLN 207 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 9icx n GLN 207 Cb 0.39 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.99 9icx n GLN 207 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 9icx h PRO 208 N 0.00 0.37 0.00 3.69 0.14 -1.95 -2.93 132.00 131.32 9icx h PRO 208 Ca 0.00 -0.43 -0.00 0.00 0.14 0.00 0.00 66.00 65.71 9icx h PRO 208 Cb 0.00 0.13 -0.00 0.00 0.14 0.00 0.00 31.00 31.27 9icx h PRO 208 CO 0.00 1.11 -0.00 0.87 0.14 0.00 0.00 178.00 180.12 9icx h LYS 209 N 0.20 0.00 -0.28 0.86 1.79 -1.97 -1.85 116.57 115.32 9icx h LYS 209 Ca -0.09 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.45 9icx h LYS 209 Cb 1.63 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.21 9icx h LYS 209 CO 0.17 0.00 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.23 9icx h LEU 210 N 0.00 -0.77 0.01 2.94 3.38 -1.90 -0.98 115.31 117.99 9icx h LEU 210 Ca -0.00 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 9icx h LEU 210 Cb 0.01 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.13 9icx h LEU 210 CO 0.00 -0.27 -0.07 0.25 0.09 0.00 0.00 178.44 178.43 9icx h LEU 211 N -0.23 0.05 -1.50 1.67 5.85 -1.54 -3.36 115.31 116.25 9icx h LEU 211 Ca 0.15 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 58.14 9icx h LEU 211 Cb 0.46 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 9icx h LEU 211 CO -0.41 0.92 0.53 0.45 -0.34 0.00 0.00 178.44 179.59 9icx h HIS 212 N -0.81 0.58 -0.30 1.25 3.86 -1.49 -1.16 115.15 117.08 9icx h HIS 212 Ca -0.01 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 9icx h HIS 212 Cb 0.94 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 9icx h HIS 212 CO 0.23 0.21 0.08 1.96 0.86 0.00 0.00 177.93 181.27 9icx h GLN 213 N 0.49 0.47 -0.04 2.45 4.20 -1.32 -1.87 115.11 119.49 9icx h GLN 213 Ca 0.40 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 9icx h GLN 213 Cb 0.84 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.55 9icx h GLN 213 CO -0.14 0.54 0.01 -0.39 -0.67 0.00 0.00 178.83 178.17 9icx h VAL 214 N 0.32 1.18 -0.93 -0.54 -1.51 -1.40 -1.83 116.25 111.55 9icx h VAL 214 Ca 0.09 -0.55 0.17 0.00 -1.23 0.00 0.00 66.70 65.18 9icx h VAL 214 Cb 0.27 1.48 -0.10 0.00 -2.13 0.00 0.00 31.29 30.81 9icx h VAL 214 CO -0.00 0.15 0.52 0.58 -1.23 0.00 0.00 177.57 177.59 9icx h VAL 215 N -0.15 0.70 -0.54 7.19 2.07 -1.31 0.14 116.25 124.36 9icx h VAL 215 Ca 0.01 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 9icx h VAL 215 Cb 0.23 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 9icx h VAL 215 CO 0.00 0.12 -0.07 -0.08 0.02 0.00 0.00 177.57 177.57 9icx h GLU 216 N 0.68 0.97 -0.34 1.57 4.81 -1.11 -2.28 114.58 118.89 9icx h GLU 216 Ca 0.52 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 9icx h GLU 216 Cb 0.79 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 9icx h GLU 216 CO -0.38 1.00 0.08 0.37 -0.73 0.00 0.00 179.01 179.35 9icx h GLN 217 N 0.88 0.54 -0.97 1.92 5.75 0.09 0.23 115.11 123.55 9icx h GLN 217 Ca 0.15 -0.13 0.17 0.00 -0.15 0.00 0.00 58.65 58.69 9icx h GLN 217 Cb 0.61 -0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.98 9icx h GLN 217 CO 0.04 0.60 0.58 -0.07 -2.65 0.00 0.00 178.83 177.32 9icx h LEU 218 N 0.39 0.75 -0.08 -2.39 4.07 -0.99 0.15 115.31 117.22 9icx h LEU 218 Ca 0.11 0.09 -0.22 0.00 0.08 0.00 0.00 57.88 57.93 9icx h LEU 218 Cb 0.30 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.98 9icx h LEU 218 CO 0.00 0.29 -1.02 1.56 -1.08 0.00 0.00 178.44 178.19 9icx h GLN 219 N 0.77 0.15 -0.63 1.13 4.20 -1.08 0.26 115.11 119.91 9icx h GLN 219 Ca 0.54 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 59.12 9icx h GLN 219 Cb 0.79 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 9icx h GLN 219 CO -0.36 1.04 0.27 -0.22 -0.67 0.00 0.00 178.83 178.89 9icx h LYS 220 N 0.06 0.45 -0.64 1.46 3.64 0.14 0.21 116.57 121.90 9icx h LYS 220 Ca -0.06 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 9icx h LYS 220 Cb 1.73 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 9icx h LYS 220 CO 0.15 0.30 0.00 1.33 -2.27 0.00 0.00 179.45 178.96 9icx n VAL 221 N -4.95 1.13 -2.34 2.00 0.24 -0.23 -4.91 118.33 109.28 9icx n VAL 221 Ca 0.09 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.34 61.51 9icx n VAL 221 Cb 0.27 -0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.48 9icx n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 9icx n HIS 222 N 0.46 -0.92 0.04 6.34 8.25 0.74 -4.87 115.22 125.25 9icx n HIS 222 Ca 0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.44 9icx n HIS 222 Cb 0.60 -3.95 -0.14 0.00 1.12 0.00 0.00 29.99 27.62 9icx n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 9icx h PHE 223 N 0.00 0.39 -3.22 4.41 3.04 -0.71 -3.43 116.94 117.41 9icx h PHE 223 Ca -0.49 -0.28 -0.60 0.00 3.98 0.00 0.00 57.97 60.57 9icx h PHE 223 Cb 1.37 -0.02 -0.11 0.00 2.56 0.00 0.00 35.95 39.76 9icx h PHE 223 CO 0.56 1.41 -0.41 0.42 -2.02 0.00 0.00 178.31 178.27 9icx s ILE 224 N -2.60 5.36 -0.09 1.41 1.01 -1.04 -0.49 121.20 124.76 9icx s ILE 224 Ca -0.11 0.37 0.15 0.00 0.00 0.00 0.00 60.65 61.06 9icx s ILE 224 Cb 0.07 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.78 9icx s ILE 224 CO 0.83 0.44 0.20 0.35 0.00 0.00 0.00 174.94 176.76 9icx n THR 225 N 3.36 0.55 -3.59 2.92 -2.24 0.74 -4.33 114.28 111.68 9icx n THR 225 Ca -0.14 -0.52 -0.14 0.00 -2.27 0.00 0.00 64.05 60.98 9icx n THR 225 Cb 0.52 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 9icx n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 9icx s ASP 226 N -4.41 -0.41 -0.14 3.42 1.11 -1.20 -5.00 116.67 110.03 9icx s ASP 226 Ca -0.07 0.15 -0.01 0.00 0.18 0.00 0.00 52.55 52.80 9icx s ASP 226 Cb 0.07 0.48 -0.02 0.00 1.07 0.00 0.00 42.92 44.52 9icx s ASP 226 CO 0.66 -0.71 -0.10 -0.89 1.18 0.00 0.00 175.17 175.31 9icx s THR 227 N -2.42 3.35 -0.18 -1.27 2.01 -1.26 -1.16 115.64 114.70 9icx s THR 227 Ca -0.05 -0.56 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 9icx s THR 227 Cb -0.01 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 69.99 9icx s THR 227 CO -0.02 0.51 -0.16 0.18 -0.69 0.00 0.00 174.62 174.45 9icx n LEU 228 N 3.52 1.87 -3.73 4.42 4.32 0.36 -4.90 117.00 122.85 9icx n LEU 228 Ca -0.18 0.49 -0.14 0.00 -0.02 0.00 0.00 56.01 56.16 9icx n LEU 228 Cb 0.53 -0.85 -0.14 0.00 -1.62 0.00 0.00 43.42 41.33 9icx n LEU 228 CO 0.31 -0.15 -0.20 -0.94 -1.22 0.00 0.00 177.39 175.20 9icx s SER 229 N -6.21 -0.06 -0.29 -1.43 1.04 -0.57 -4.73 113.70 101.45 9icx s SER 229 Ca -0.24 0.37 0.01 0.00 0.48 0.00 0.00 55.95 56.57 9icx s SER 229 Cb 0.05 0.26 0.09 0.00 0.10 0.00 0.00 66.02 66.52 9icx s SER 229 CO 0.38 -0.16 0.04 -0.75 0.98 0.00 0.00 173.24 173.73 9icx s LYS 230 N 1.33 1.14 0.00 4.02 2.20 -1.26 -0.24 119.74 126.93 9icx s LYS 230 Ca -0.08 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 9icx s LYS 230 Cb -0.11 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 9icx s LYS 230 CO -0.07 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.47 9icx n GLY 231 N 4.65 1.86 1.04 5.54 0.00 -0.23 -5.02 105.19 113.04 9icx n GLY 231 Ca -0.03 -2.00 0.12 0.00 0.00 0.00 0.00 46.02 44.11 9icx n GLY 231 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 9icx n GLU 232 N 0.00 2.39 0.00 1.61 0.28 -1.26 -4.39 120.64 119.27 9icx n GLU 232 Ca 0.00 -2.07 0.00 0.00 -0.16 0.00 0.00 57.16 54.93 9icx n GLU 232 Cb 0.00 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.38 9icx n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 9icx n THR 233 N 1.35 0.00 -3.74 3.84 -2.24 -1.26 -4.72 114.28 107.51 9icx n THR 233 Ca 0.18 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.80 9icx n THR 233 Cb 0.58 0.75 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 9icx n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 9icx s LYS 234 N 0.00 0.01 -0.05 -0.78 2.20 -1.26 0.05 119.74 119.91 9icx s LYS 234 Ca 0.00 0.32 0.05 0.00 -0.36 0.00 0.00 55.97 55.98 9icx s LYS 234 Cb 0.00 -0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.06 9icx s LYS 234 CO 0.00 -0.20 -0.20 0.12 -0.36 0.00 0.00 175.35 174.71 9icx s PHE 235 N 1.37 2.00 -0.33 4.03 2.19 0.22 -1.07 117.98 126.38 9icx s PHE 235 Ca -0.06 -0.58 0.02 0.00 0.33 0.00 0.00 56.93 56.64 9icx s PHE 235 Cb -0.12 -1.33 0.09 0.00 -1.31 0.00 0.00 43.02 40.35 9icx s PHE 235 CO -0.04 -0.18 0.04 -1.64 1.83 0.00 0.00 175.22 175.23 9icx s MET 236 N -0.06 1.83 0.00 10.12 -1.94 0.67 -0.14 119.30 129.78 9icx s MET 236 Ca -0.03 -1.70 0.00 0.00 -1.71 0.00 0.00 55.69 52.25 9icx s MET 236 Cb -0.12 -3.22 0.00 0.00 2.01 0.00 0.00 34.83 33.50 9icx s MET 236 CO 0.03 -0.86 0.00 0.41 -0.01 0.00 0.00 175.02 174.59 9icx n GLY 237 N 4.39 5.85 2.83 -0.03 0.00 0.25 0.13 105.19 118.62 9icx n GLY 237 Ca -0.03 -1.55 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 9icx n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 9icx s VAL 238 N 0.16 0.40 0.36 1.61 1.01 -0.31 -1.51 120.40 122.12 9icx s VAL 238 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.05 9icx s VAL 238 Cb 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 36.38 35.82 9icx s VAL 238 CO 0.00 0.22 0.03 0.00 0.00 0.00 0.00 175.10 175.34 9icx s GLN 240 N -3.80 0.42 0.02 0.00 0.74 0.35 -1.40 119.66 116.00 9icx s GLN 240 Ca 0.35 1.17 -0.30 0.00 0.05 0.00 0.00 55.36 56.63 9icx s GLN 240 Cb 0.09 0.50 -0.08 0.00 1.10 0.00 0.00 33.01 34.63 9icx s GLN 240 CO 0.16 -0.26 1.75 -0.51 -0.55 0.00 0.00 175.29 175.88 9icx s LEU 241 N 2.72 4.37 0.20 3.68 1.43 -1.26 -4.73 118.68 125.09 9icx s LEU 241 Ca -0.02 2.47 -0.30 0.00 -1.03 0.00 0.00 54.13 55.25 9icx s LEU 241 Cb -0.12 -3.54 -0.16 0.00 0.03 0.00 0.00 46.19 42.39 9icx s LEU 241 CO -0.15 -0.95 0.77 -0.81 0.23 0.00 0.00 176.35 175.43 9icx n PRO 242 N 6.68 0.46 -2.64 1.29 -0.04 -1.26 -4.16 135.00 135.33 9icx n PRO 242 Ca 0.18 0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 9icx n PRO 242 Cb 0.41 -1.36 -0.02 0.00 -0.04 0.00 0.00 33.50 32.50 9icx n PRO 242 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 9icx s SER 243 N -0.68 7.09 0.00 3.54 0.01 -1.26 -4.83 113.70 117.57 9icx s SER 243 Ca 0.66 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.34 9icx s SER 243 Cb -0.90 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 62.79 9icx s SER 243 CO 0.57 -0.67 0.00 0.29 0.41 0.00 0.00 173.24 173.84 9icx n LYS 244 N 6.28 0.00 -3.53 12.44 4.76 -1.26 -4.57 118.16 132.27 9icx n LYS 244 Ca 0.12 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.19 9icx n LYS 244 Cb 0.46 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.60 9icx n LYS 244 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 9icx n ASN 245 N 0.00 4.53 0.00 4.39 2.04 -1.26 -5.03 115.26 119.93 9icx n ASN 245 Ca 0.00 -3.17 0.00 0.00 -0.44 0.00 0.00 54.58 50.97 9icx n ASN 245 Cb 0.00 -1.08 0.00 0.00 -2.53 0.00 0.00 39.78 36.17 9icx n ASN 245 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 9icx n ASP 246 N 2.15 0.00 0.00 0.53 9.92 -1.26 -4.61 116.55 123.28 9icx n ASP 246 Ca 0.23 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 9icx n ASP 246 Cb 0.37 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.85 9icx n ASP 246 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 9icx n GLU 247 N 0.00 0.00 -3.69 -1.24 -0.58 -1.26 -5.07 120.64 108.79 9icx n GLU 247 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 9icx n GLU 247 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 9icx n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 9icx s LYS 248 N 0.00 0.75 0.35 3.49 0.00 -1.26 -5.13 119.74 117.93 9icx s LYS 248 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 55.97 54.73 9icx s LYS 248 Cb 0.00 -1.92 -0.05 0.00 0.00 0.00 0.00 37.83 35.87 9icx s LYS 248 CO 0.00 -1.04 0.62 -2.00 0.00 0.00 0.00 175.35 172.93 9icx s GLU 249 N 1.41 3.60 0.32 1.78 2.12 -1.26 -4.43 118.70 122.23 9icx s GLU 249 Ca 0.12 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 9icx s GLU 249 Cb -0.19 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.59 9icx s GLU 249 CO -0.20 0.10 0.55 0.71 -0.54 0.00 0.00 175.26 175.88 9icx s TYR 250 N -2.29 3.49 0.79 5.30 1.51 -1.26 -5.04 117.35 119.87 9icx s TYR 250 Ca 0.44 0.49 -0.13 0.00 -1.01 0.00 0.00 57.07 56.86 9icx s TYR 250 Cb -0.10 -2.00 0.08 0.00 -0.11 0.00 0.00 41.96 39.83 9icx s TYR 250 CO 0.34 0.14 1.20 -2.14 -1.11 0.00 0.00 175.55 173.98 9icx s PRO 251 N -3.96 1.74 -0.13 -1.71 0.01 -1.26 -4.90 135.00 124.79 9icx s PRO 251 Ca 0.42 1.72 -0.26 0.00 0.01 0.00 0.00 61.00 62.88 9icx s PRO 251 Cb -0.10 -1.79 -0.02 0.00 0.01 0.00 0.00 34.50 32.60 9icx s PRO 251 CO 0.34 -2.13 0.85 -1.01 0.01 0.00 0.00 177.00 175.06 9icx s HIS 252 N -2.18 3.48 0.14 6.54 3.76 -1.26 -4.71 115.29 121.06 9icx s HIS 252 Ca 0.72 1.35 0.08 0.00 -0.15 0.00 0.00 55.06 57.06 9icx s HIS 252 Cb -0.28 -3.02 -0.04 0.00 1.11 0.00 0.00 32.58 30.36 9icx s HIS 252 CO 0.50 -0.16 -0.08 1.03 -0.85 0.00 0.00 174.74 175.18 9icx s ARG 253 N 1.79 2.17 0.08 1.40 3.00 -0.49 -4.02 118.95 122.87 9icx s ARG 253 Ca 0.41 -1.10 -0.29 0.00 0.00 0.00 0.00 55.73 54.75 9icx s ARG 253 Cb -0.17 -2.28 -0.05 0.00 0.00 0.00 0.00 34.95 32.44 9icx s ARG 253 CO 0.16 0.48 0.92 1.03 0.00 0.00 0.00 175.30 177.89 9icx s ARG 254 N -2.50 4.64 -0.01 3.54 1.81 -1.26 -0.49 118.95 124.67 9icx s ARG 254 Ca 0.23 1.37 -0.01 0.00 -1.72 0.00 0.00 55.73 55.61 9icx s ARG 254 Cb -0.10 -3.39 0.01 0.00 -0.45 0.00 0.00 34.95 31.02 9icx s ARG 254 CO 0.15 0.18 0.03 -1.50 -0.68 0.00 0.00 175.30 173.48 9icx s ILE 255 N 0.16 -0.01 -0.18 1.52 2.07 -0.57 -1.30 121.20 122.89 9icx s ILE 255 Ca 0.46 0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.73 9icx s ILE 255 Cb -0.22 -0.05 -0.00 0.00 0.13 0.00 0.00 42.46 42.31 9icx s ILE 255 CO 0.28 0.02 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.40 9icx s ASP 256 N 0.24 3.82 -0.25 4.50 1.01 0.93 0.85 116.67 127.77 9icx s ASP 256 Ca -0.02 -0.46 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 9icx s ASP 256 Cb -0.03 -1.61 0.03 0.00 1.01 0.00 0.00 42.92 42.32 9icx s ASP 256 CO -0.01 0.04 -0.07 -0.63 0.21 0.00 0.00 175.17 174.72 9icx s ILE 257 N 1.07 2.73 -0.11 0.77 1.01 0.80 -0.63 121.20 126.86 9icx s ILE 257 Ca -0.00 -1.15 0.04 0.00 0.00 0.00 0.00 60.65 59.54 9icx s ILE 257 Cb -0.15 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 9icx s ILE 257 CO -0.03 0.16 -0.23 0.00 0.00 0.00 0.00 174.94 174.84 9icx s ARG 258 N 1.28 3.08 0.08 2.79 3.03 -0.43 -0.61 118.95 128.16 9icx s ARG 258 Ca -0.01 -0.86 -0.30 0.00 2.03 0.00 0.00 55.73 56.58 9icx s ARG 258 Cb -0.17 -2.34 -0.05 0.00 -1.03 0.00 0.00 34.95 31.36 9icx s ARG 258 CO -0.05 0.17 1.04 -1.17 -1.13 0.00 0.00 175.30 174.16 9icx s LEU 259 N 0.37 4.43 -0.01 -1.89 2.96 0.11 -0.13 118.68 124.52 9icx s LEU 259 Ca -0.18 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 9icx s LEU 259 Cb -0.18 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 9icx s LEU 259 CO 0.08 -0.23 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.14 9icx s ILE 260 N 0.49 0.86 0.22 6.68 -1.09 0.47 -4.90 121.20 123.93 9icx s ILE 260 Ca 0.51 -0.45 -0.32 0.00 -2.23 0.00 0.00 60.65 58.16 9icx s ILE 260 Cb -0.25 -0.73 -0.13 0.00 -1.58 0.00 0.00 42.46 39.78 9icx s ILE 260 CO 0.30 0.25 1.61 -0.81 -1.23 0.00 0.00 174.94 175.06 9icx n PRO 261 N 2.92 2.50 -0.34 2.79 -0.04 -1.26 -4.20 135.00 137.37 9icx n PRO 261 Ca -0.15 0.90 0.16 0.00 -0.04 0.00 0.00 63.50 64.37 9icx n PRO 261 Cb 0.56 -2.68 0.38 0.00 -0.04 0.00 0.00 33.50 31.72 9icx n PRO 261 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 9icx h LYS 262 N 5.67 0.61 0.00 0.54 3.64 0.73 -0.17 116.57 127.59 9icx h LYS 262 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 9icx h LYS 262 Cb 1.23 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 9icx h LYS 262 CO 0.87 0.40 0.00 -0.40 -2.27 0.00 0.00 179.45 178.05 9icx n ASP 263 N -4.77 0.00 -0.25 4.20 5.75 -1.26 -2.80 116.55 117.43 9icx n ASP 263 Ca 0.25 -0.02 0.01 0.00 -0.01 0.00 0.00 54.79 55.01 9icx n ASP 263 Cb 0.68 -0.05 0.01 0.00 -1.03 0.00 0.00 41.12 40.73 9icx n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 9icx n GLN 264 N -1.05 0.27 0.00 0.11 10.64 -0.08 -4.87 117.38 122.39 9icx n GLN 264 Ca 0.02 -0.95 0.00 0.00 -1.83 0.00 0.00 57.00 54.23 9icx n GLN 264 Cb 0.01 -0.60 0.00 0.00 -0.86 0.00 0.00 30.24 28.79 9icx n GLN 264 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 9icx n TYR 265 N -0.13 0.00 0.12 2.61 9.36 -1.12 -2.91 117.16 125.08 9icx n TYR 265 Ca 0.01 0.00 0.17 0.00 3.32 0.00 0.00 57.90 61.40 9icx n TYR 265 Cb 0.59 -0.21 0.51 0.00 -0.63 0.00 0.00 39.34 39.60 9icx n TYR 265 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 9icx h TYR 266 N 0.00 0.00 0.06 2.98 -1.99 -1.92 0.76 116.97 116.86 9icx h TYR 266 Ca 0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 9icx h TYR 266 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 9icx h TYR 266 CO 0.01 0.00 -1.06 0.00 -0.00 0.00 0.00 178.16 177.10 9icx h GLY 268 N 1.79 -0.01 1.41 0.00 0.00 0.62 -2.13 103.07 104.74 9icx h GLY 268 Ca -0.08 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.27 9icx h GLY 268 CO 0.17 -0.01 0.35 -2.08 0.00 0.00 0.00 176.54 174.97 9icx h VAL 269 N -0.68 1.08 0.64 4.60 2.07 -1.09 0.75 116.25 123.62 9icx h VAL 269 Ca -0.00 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 9icx h VAL 269 Cb 0.66 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 9icx h VAL 269 CO 0.00 0.12 -0.31 0.25 0.02 0.00 0.00 177.57 177.65 9icx h LEU 270 N 0.63 -0.72 -0.41 2.57 5.85 -1.18 -3.08 115.31 118.96 9icx h LEU 270 Ca 0.20 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.01 9icx h LEU 270 Cb 0.04 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.17 9icx h LEU 270 CO -0.05 -0.39 -0.47 0.22 -0.34 0.00 0.00 178.44 177.41 9icx h TYR 271 N -1.12 -1.41 -0.38 1.25 3.20 -0.64 -2.35 116.97 115.52 9icx h TYR 271 Ca -0.09 0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.94 9icx h TYR 271 Cb 0.66 0.67 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 9icx h TYR 271 CO 0.02 -0.46 0.27 0.74 -1.64 0.00 0.00 178.16 177.08 9icx h PHE 272 N -0.35 0.16 0.00 -3.82 0.04 0.35 -1.72 116.94 111.59 9icx h PHE 272 Ca 0.12 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.89 9icx h PHE 272 Cb 0.59 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.69 9icx h PHE 272 CO -0.66 0.08 0.00 1.15 -0.60 0.00 0.00 178.31 178.28 9icx h THR 273 N 0.15 0.00 -0.38 -1.55 2.02 -1.32 -3.20 112.91 108.63 9icx h THR 273 Ca 0.18 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.08 9icx h THR 273 Cb 0.51 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 9icx h THR 273 CO -0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.48 9icx n GLY 274 N -0.22 0.80 3.83 2.16 0.00 -0.65 -4.54 105.19 106.57 9icx n GLY 274 Ca 0.01 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 9icx n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 9icx s SER 275 N -4.00 4.64 0.30 1.61 1.04 -1.14 -4.72 113.70 111.43 9icx s SER 275 Ca 0.00 1.21 0.07 0.00 0.48 0.00 0.00 55.95 57.71 9icx s SER 275 Cb 0.00 -1.94 0.80 0.00 0.10 0.00 0.00 66.02 64.98 9icx s SER 275 CO 0.00 -1.87 1.72 0.44 0.98 0.00 0.00 173.24 174.52 9icx h ASP 276 N -1.02 0.56 0.28 7.02 3.32 -1.92 0.34 116.42 125.01 9icx h ASP 276 Ca -0.47 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 56.59 9icx h ASP 276 Cb 1.27 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.87 9icx h ASP 276 CO 0.61 0.09 -0.49 0.16 -1.72 0.00 0.00 179.24 177.89 9icx h ILE 277 N 0.54 1.34 0.43 0.35 -2.65 -1.93 -2.51 117.51 113.09 9icx h ILE 277 Ca 0.60 -1.72 -0.02 0.00 1.03 0.00 0.00 64.86 64.75 9icx h ILE 277 Cb 1.10 1.81 0.00 0.00 -2.05 0.00 0.00 36.82 37.69 9icx h ILE 277 CO -0.48 0.51 -0.21 0.15 0.03 0.00 0.00 178.15 178.16 9icx h PHE 278 N 0.20 -0.54 -0.44 0.16 3.57 -0.37 -2.37 116.94 117.15 9icx h PHE 278 Ca 0.01 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.59 9icx h PHE 278 Cb 0.94 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 39.77 9icx h PHE 278 CO 0.02 -0.29 -0.21 -0.91 -2.23 0.00 0.00 178.31 174.69 9icx h ASN 279 N -0.66 -0.72 0.00 0.41 -0.26 -1.11 -1.24 115.58 111.99 9icx h ASN 279 Ca -0.06 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 9icx h ASN 279 Cb 0.49 0.39 -0.01 0.00 -1.06 0.00 0.00 38.32 38.13 9icx h ASN 279 CO 0.10 -0.24 -0.08 0.11 -1.06 0.00 0.00 177.43 176.26 9icx h LYS 280 N -0.12 -0.09 -0.88 0.81 1.57 -1.39 0.72 116.57 117.18 9icx h LYS 280 Ca 0.21 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 59.18 9icx h LYS 280 Cb 0.45 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.67 9icx h LYS 280 CO -0.52 -0.06 0.43 -0.91 -0.57 0.00 0.00 179.45 177.82 9icx h ASN 281 N -0.10 0.45 -0.40 0.86 4.21 -1.16 0.27 115.58 119.70 9icx h ASN 281 Ca 0.00 0.12 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 9icx h ASN 281 Cb 0.10 0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 37.35 9icx h ASN 281 CO -0.05 0.11 0.21 -0.03 -1.29 0.00 0.00 177.43 176.39 9icx h MET 282 N 0.52 0.57 -0.49 0.81 1.85 -0.65 0.41 114.93 117.95 9icx h MET 282 Ca 0.52 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 59.54 9icx h MET 282 Cb 0.87 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.77 9icx h MET 282 CO -0.44 0.47 0.31 0.00 -0.40 0.00 0.00 176.91 176.85 9icx h ARG 283 N 0.52 0.65 -0.43 0.39 3.08 0.27 0.21 114.38 119.08 9icx h ARG 283 Ca 0.14 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 9icx h ARG 283 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 9icx h ARG 283 CO -0.02 0.45 -0.09 0.00 -1.07 0.00 0.00 179.97 179.24 9icx h ALA 284 N 1.16 1.04 -0.40 0.04 0.00 -0.29 -2.68 119.26 118.12 9icx h ALA 284 Ca 0.18 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 9icx h ALA 284 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 9icx h ALA 284 CO -0.04 0.59 -0.33 1.25 0.00 0.00 0.00 179.25 180.72 9icx h HIS 285 N 0.68 1.11 -0.76 0.00 -0.00 0.43 -2.88 115.15 113.74 9icx h HIS 285 Ca 0.12 -0.32 0.17 0.00 -0.00 0.00 0.00 60.37 60.35 9icx h HIS 285 Cb 0.56 -0.24 -0.13 0.00 -0.00 0.00 0.00 27.41 27.60 9icx h HIS 285 CO 0.03 1.14 0.03 0.00 -0.00 0.00 0.00 177.93 179.13 9icx h ALA 286 N 0.79 0.82 -0.50 5.26 0.00 -0.66 0.83 119.26 125.79 9icx h ALA 286 Ca 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 9icx h ALA 286 Cb 0.92 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 9icx h ALA 286 CO 0.09 -0.42 0.25 1.25 0.00 0.00 0.00 179.25 180.41 9icx h LEU 287 N 0.12 0.63 0.32 0.00 7.12 -1.09 0.19 115.31 122.59 9icx h LEU 287 Ca 0.42 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.36 9icx h LEU 287 Cb 0.74 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.71 9icx h LEU 287 CO -0.65 0.53 -0.16 -0.33 -0.13 0.00 0.00 178.44 177.71 9icx h GLU 288 N 0.70 -0.42 -0.00 1.25 4.39 0.83 -3.21 114.58 118.12 9icx h GLU 288 Ca 0.18 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.91 9icx h GLU 288 Cb 0.07 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 9icx h GLU 288 CO -0.02 -0.09 0.00 1.63 -1.16 0.00 0.00 179.01 179.37 9icx n LYS 289 N -5.11 0.01 -2.34 2.33 4.76 -0.22 -4.72 118.16 112.88 9icx n LYS 289 Ca -0.09 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.33 9icx n LYS 289 Cb 0.27 -1.00 0.01 0.00 -1.84 0.00 0.00 35.03 32.47 9icx n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 9icx n GLY 290 N -0.34 0.53 3.32 0.72 0.00 -1.12 -4.94 105.19 103.35 9icx n GLY 290 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 9icx n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 9icx s PHE 291 N -3.04 0.04 -0.00 1.61 0.08 0.61 -1.46 117.98 115.82 9icx s PHE 291 Ca 0.02 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.71 9icx s PHE 291 Cb -0.01 0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.55 9icx s PHE 291 CO 0.08 -0.69 -0.13 -0.08 -0.10 0.00 0.00 175.22 174.30 9icx s THR 292 N -3.86 1.00 0.01 0.64 -1.32 0.66 -2.03 115.64 110.74 9icx s THR 292 Ca 0.07 -0.62 -0.05 0.00 -1.21 0.00 0.00 61.69 59.89 9icx s THR 292 Cb 0.03 -0.85 -0.01 0.00 -1.51 0.00 0.00 72.50 70.16 9icx s THR 292 CO -0.08 0.22 0.07 -0.63 -2.21 0.00 0.00 174.62 172.00 9icx s ILE 293 N -0.40 0.10 0.23 5.08 -1.09 -1.26 0.38 121.20 124.24 9icx s ILE 293 Ca 0.04 -0.84 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 9icx s ILE 293 Cb -0.05 -0.46 0.03 0.00 -1.58 0.00 0.00 42.46 40.39 9icx s ILE 293 CO -0.00 -0.46 0.42 -0.46 -1.23 0.00 0.00 174.94 173.21 9icx n ASN 294 N 1.38 -1.22 -0.37 3.58 2.04 -0.93 -5.02 115.26 114.71 9icx n ASN 294 Ca -0.23 -1.99 0.36 0.00 -0.44 0.00 0.00 54.58 52.28 9icx n ASN 294 Cb 0.56 2.07 0.73 0.00 -2.53 0.00 0.00 39.78 40.61 9icx n ASN 294 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 9icx h GLU 295 N 0.00 0.05 0.00 -3.83 9.09 -1.98 -3.24 114.58 114.66 9icx h GLU 295 Ca -0.19 -0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.11 9icx h GLU 295 Cb 0.73 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.80 9icx h GLU 295 CO 0.24 0.03 -1.57 0.66 0.05 0.00 0.00 179.01 178.42 9icx n TYR 296 N -4.22 0.00 -3.92 2.06 4.02 -1.26 -2.76 117.16 111.08 9icx n TYR 296 Ca 0.28 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 58.08 9icx n TYR 296 Cb 1.30 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 40.22 9icx n TYR 296 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 9icx s THR 297 N -2.39 0.00 -0.07 -0.72 -4.23 -1.23 -4.59 115.64 102.41 9icx s THR 297 Ca -0.04 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 9icx s THR 297 Cb 0.04 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.53 9icx s THR 297 CO 0.39 0.00 -0.16 -0.51 -0.54 0.00 0.00 174.62 173.80 9icx s ILE 298 N -3.44 1.45 -0.03 2.99 2.07 -1.25 -2.19 121.20 120.80 9icx s ILE 298 Ca 0.18 -0.67 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 9icx s ILE 298 Cb -0.03 -1.29 -0.00 0.00 0.13 0.00 0.00 42.46 41.26 9icx s ILE 298 CO 0.10 0.42 -0.15 -0.13 -1.91 0.00 0.00 174.94 173.28 9icx s ARG 299 N 0.50 1.45 0.13 3.50 0.52 0.16 -1.73 118.95 123.48 9icx s ARG 299 Ca -0.15 -0.52 -0.31 0.00 -0.52 0.00 0.00 55.73 54.22 9icx s ARG 299 Cb -0.16 -1.31 -0.10 0.00 0.52 0.00 0.00 34.95 33.90 9icx s ARG 299 CO 0.05 0.24 1.68 -1.25 0.02 0.00 0.00 175.30 176.04 9icx s PRO 300 N -0.04 4.18 -0.16 3.54 0.04 -1.26 -0.25 135.00 141.05 9icx s PRO 300 Ca -0.01 2.44 -0.20 0.00 0.04 0.00 0.00 61.00 63.28 9icx s PRO 300 Cb -0.09 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.04 9icx s PRO 300 CO 0.01 -0.72 0.56 -1.17 0.04 0.00 0.00 177.00 175.72 9icx s LEU 301 N 1.97 4.20 0.98 -3.56 2.96 -0.53 -4.36 118.68 120.34 9icx s LEU 301 Ca 0.74 0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 55.32 9icx s LEU 301 Cb -0.44 -2.80 0.19 0.00 0.50 0.00 0.00 46.19 43.63 9icx s LEU 301 CO 0.33 -0.16 1.20 -0.83 -1.32 0.00 0.00 176.35 175.57 9icx s GLY 302 N 0.99 1.65 -0.00 7.98 0.00 -1.25 -4.86 107.32 111.83 9icx s GLY 302 Ca 0.27 -0.87 0.20 0.00 0.00 0.00 0.00 44.72 44.33 9icx s GLY 302 CO 0.11 -0.17 0.83 1.55 0.00 0.00 0.00 173.10 175.41 9icx n VAL 303 N -3.93 0.00 0.31 1.40 3.14 -1.26 -4.28 118.33 113.70 9icx n VAL 303 Ca 0.11 -0.06 0.03 0.00 -2.96 0.00 0.00 64.34 61.46 9icx n VAL 303 Cb 0.60 0.92 0.16 0.00 -1.06 0.00 0.00 33.84 34.45 9icx n VAL 303 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 9icx n THR 304 N -1.54 0.62 0.00 1.55 -2.24 -1.26 -4.72 114.28 106.69 9icx n THR 304 Ca 0.03 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 9icx n THR 304 Cb 0.33 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 9icx n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 9icx n GLY 305 N -0.74 2.15 0.00 3.38 0.00 -1.26 -5.03 105.19 103.69 9icx n GLY 305 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.55 9icx n GLY 305 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 9icx n VAL 306 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.70 118.33 114.21 9icx n VAL 306 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 9icx n VAL 306 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 9icx n VAL 306 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 9icx n ALA 307 N -3.00 0.00 -2.60 2.33 0.00 -1.26 -3.84 120.51 112.14 9icx n ALA 307 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 9icx n ALA 307 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 9icx n ALA 307 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 9icx n GLY 308 N -1.46 3.85 0.16 0.00 0.00 -1.26 -4.11 105.19 102.36 9icx n GLY 308 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 9icx n GLY 308 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 9icx n GLU 309 N 0.00 0.00 -1.51 1.61 4.07 -1.26 -4.55 120.64 118.99 9icx n GLU 309 Ca 0.00 0.05 -0.38 0.00 -0.06 0.00 0.00 57.16 56.77 9icx n GLU 309 Cb 0.00 -0.10 -0.12 0.00 -0.06 0.00 0.00 31.44 31.16 9icx n GLU 309 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 9icx n PRO 310 N 0.70 0.29 -1.15 5.31 -0.02 -1.26 -4.16 135.00 134.72 9icx n PRO 310 Ca 0.00 -0.02 -0.33 0.00 -2.02 0.00 0.00 63.50 61.13 9icx n PRO 310 Cb 0.00 -2.04 0.12 0.00 -0.02 0.00 0.00 33.50 31.56 9icx n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 9icx s LEU 311 N 9.50 3.14 -0.20 2.45 1.02 -0.71 -4.95 118.68 128.93 9icx s LEU 311 Ca 1.25 2.30 -0.07 0.00 0.02 0.00 0.00 54.13 57.63 9icx s LEU 311 Cb -0.92 -4.58 -0.04 0.00 0.02 0.00 0.00 46.19 40.67 9icx s LEU 311 CO 0.42 -2.59 0.07 -2.16 0.02 0.00 0.00 176.35 172.11 9icx s PRO 312 N -4.20 3.90 -0.09 1.29 0.04 -1.26 -4.68 135.00 130.01 9icx s PRO 312 Ca 0.72 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.39 9icx s PRO 312 Cb -0.27 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 9icx s PRO 312 CO 0.50 0.17 -0.09 0.08 0.04 0.00 0.00 177.00 177.70 9icx s VAL 313 N 0.67 3.48 -0.26 -0.36 1.01 -1.26 -5.00 120.40 118.67 9icx s VAL 313 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.51 9icx s VAL 313 Cb -0.13 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 9icx s VAL 313 CO 0.02 0.57 0.28 0.47 0.00 0.00 0.00 175.10 176.43 9icx n ASP 314 N 2.71 0.47 -3.64 3.32 9.92 -1.26 -4.94 116.55 123.14 9icx n ASP 314 Ca -0.18 -0.74 -0.00 0.00 -0.53 0.00 0.00 54.79 53.35 9icx n ASP 314 Cb 0.53 0.75 -0.01 0.00 -0.64 0.00 0.00 41.12 41.74 9icx n ASP 314 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 9icx s SER 315 N -1.09 -0.10 0.54 -2.24 0.15 -1.26 -4.98 113.70 104.72 9icx s SER 315 Ca 0.02 -0.16 0.36 0.00 0.70 0.00 0.00 55.95 56.87 9icx s SER 315 Cb 0.03 0.22 1.94 0.00 -1.71 0.00 0.00 66.02 66.50 9icx s SER 315 CO 0.12 -0.40 2.10 -0.33 1.20 0.00 0.00 173.24 175.94 9icx h GLU 316 N 2.00 0.00 0.03 5.44 5.08 -1.98 -1.32 114.58 123.83 9icx h GLU 316 Ca -0.27 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 9icx h GLU 316 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 9icx h GLU 316 CO 0.27 0.00 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.05 9icx h LYS 317 N 0.00 -0.04 -0.39 2.33 1.63 -1.96 -2.80 116.57 115.33 9icx h LYS 317 Ca 0.00 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.88 9icx h LYS 317 Cb 0.02 0.01 -0.09 0.00 -0.60 0.00 0.00 32.23 31.57 9icx h LYS 317 CO 0.00 0.28 -0.27 -0.44 -3.45 0.00 0.00 179.45 175.57 9icx h ASP 318 N -0.36 -0.90 -0.25 4.20 3.32 -1.62 0.24 116.42 121.04 9icx h ASP 318 Ca -0.00 0.17 0.06 0.00 0.02 0.00 0.00 57.03 57.28 9icx h ASP 318 Cb 0.34 0.44 -0.08 0.00 0.22 0.00 0.00 39.33 40.25 9icx h ASP 318 CO 0.01 -0.28 -0.41 0.40 -1.72 0.00 0.00 179.24 177.23 9icx h ILE 319 N -0.20 0.14 -0.02 0.35 2.04 -1.52 -1.41 117.51 116.90 9icx h ILE 319 Ca 0.18 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.07 9icx h ILE 319 Cb 0.50 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 9icx h ILE 319 CO -0.51 0.00 -0.17 -0.26 0.00 0.00 0.00 178.15 177.21 9icx h PHE 320 N -0.41 -0.45 -0.77 1.37 0.04 -1.07 -2.77 116.94 112.87 9icx h PHE 320 Ca 0.11 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.96 9icx h PHE 320 Cb 0.60 0.21 -0.10 0.00 2.20 0.00 0.00 35.95 38.86 9icx h PHE 320 CO -0.54 -0.25 -0.51 -0.44 -0.60 0.00 0.00 178.31 175.97 9icx h ASP 321 N -0.27 -1.84 -0.72 2.17 3.32 -0.56 0.98 116.42 119.50 9icx h ASP 321 Ca 0.06 0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.45 9icx h ASP 321 Cb 0.36 0.80 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 9icx h ASP 321 CO -0.18 -0.23 -0.43 1.88 -1.72 0.00 0.00 179.24 178.56 9icx h TYR 322 N -0.07 -1.37 0.00 4.55 0.05 -1.00 2.31 116.97 121.44 9icx h TYR 322 Ca 0.12 0.09 0.00 0.00 0.05 0.00 0.00 58.73 59.00 9icx h TYR 322 Cb 0.39 0.69 0.00 0.00 1.01 0.00 0.00 36.73 38.82 9icx h TYR 322 CO -0.96 -0.27 0.00 0.44 -1.05 0.00 0.00 178.16 176.32 9icx n ILE 323 N -4.62 0.00 -3.36 -2.88 -5.35 -0.45 -4.88 119.36 97.81 9icx n ILE 323 Ca 0.01 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.20 9icx n ILE 323 Cb 0.19 -0.13 0.03 0.00 -1.74 0.00 0.00 39.64 37.98 9icx n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 9icx n GLN 324 N -0.45 -1.98 -4.10 6.28 10.64 0.78 -4.83 117.38 123.71 9icx n GLN 324 Ca 0.00 1.53 -0.11 0.00 -1.83 0.00 0.00 57.00 56.59 9icx n GLN 324 Cb 0.02 -3.08 -0.07 0.00 -0.86 0.00 0.00 30.24 26.24 9icx n GLN 324 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 9icx s TRP 325 N -1.95 0.79 -0.15 2.61 -0.00 -0.96 -5.00 118.94 114.29 9icx s TRP 325 Ca 0.30 -1.07 -0.29 0.00 -0.00 0.00 0.00 56.10 55.04 9icx s TRP 325 Cb -0.04 -0.17 -0.03 0.00 -0.00 0.00 0.00 33.47 33.23 9icx s TRP 325 CO 0.85 -0.86 1.42 -1.59 -0.00 0.00 0.00 176.95 176.77 9icx s LYS 326 N -3.98 4.15 0.08 5.86 -2.85 -1.26 -4.55 119.74 117.20 9icx s LYS 326 Ca 0.31 1.79 -0.31 0.00 -1.00 0.00 0.00 55.97 56.76 9icx s LYS 326 Cb 0.03 -3.87 -0.09 0.00 -2.06 0.00 0.00 37.83 31.84 9icx s LYS 326 CO 0.12 -0.84 1.81 -0.47 0.10 0.00 0.00 175.35 176.07 9icx s TYR 327 N 3.89 2.00 -0.22 1.78 5.04 -1.26 -4.92 117.35 123.66 9icx s TYR 327 Ca 0.62 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 55.16 9icx s TYR 327 Cb -0.25 -4.13 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 9icx s TYR 327 CO 0.21 -4.75 0.03 1.03 -1.34 0.00 0.00 175.55 170.74 9icx s ARG 328 N 3.18 3.64 0.51 4.97 0.52 -1.26 -5.08 118.95 125.43 9icx s ARG 328 Ca 0.81 -0.50 -0.23 0.00 -0.52 0.00 0.00 55.73 55.29 9icx s ARG 328 Cb -0.43 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 9icx s ARG 328 CO 0.36 -0.08 1.31 -1.21 0.02 0.00 0.00 175.30 175.70 9icx s GLU 329 N 1.29 3.39 0.28 3.54 2.02 -1.26 -4.86 118.70 123.10 9icx s GLU 329 Ca 0.04 2.12 0.00 0.00 0.02 0.00 0.00 54.97 57.15 9icx s GLU 329 Cb -0.15 -2.35 0.67 0.00 0.10 0.00 0.00 34.13 32.40 9icx s GLU 329 CO 0.02 -0.95 1.63 -1.35 0.02 0.00 0.00 175.26 174.63 9icx h PRO 330 N 1.74 0.14 -0.72 0.39 0.11 -1.95 -1.59 132.00 130.12 9icx h PRO 330 Ca -0.50 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.72 9icx h PRO 330 Cb 1.28 -0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.23 9icx h PRO 330 CO 0.59 0.09 -0.32 -0.22 -0.21 0.00 0.00 178.00 177.93 9icx h LYS 331 N 0.14 -0.09 -0.93 1.05 3.11 -1.74 0.18 116.57 118.29 9icx h LYS 331 Ca 0.54 0.01 -0.07 0.00 -2.81 0.00 0.00 60.65 58.31 9icx h LYS 331 Cb 1.07 0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 32.28 9icx h LYS 331 CO -0.71 -0.06 0.09 -0.40 -2.81 0.00 0.00 179.45 175.56 9icx n ASP 332 N -5.46 2.81 -0.63 4.20 5.68 -0.60 -3.87 116.55 118.68 9icx n ASP 332 Ca 0.07 -2.38 0.05 0.00 -0.50 0.00 0.00 54.79 52.03 9icx n ASP 332 Cb 0.37 -0.58 0.14 0.00 -1.14 0.00 0.00 41.12 39.92 9icx n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 9icx n ARG 333 N 0.11 1.81 0.00 0.11 1.74 0.62 -4.52 116.66 116.53 9icx n ARG 333 Ca 0.13 -1.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.04 9icx n ARG 333 Cb 0.68 -1.29 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 9icx n ARG 333 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 9icx n SER 334 N 0.43 0.00 0.00 0.55 7.64 -1.25 -2.89 113.62 118.10 9icx n SER 334 Ca 0.11 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.53 9icx n SER 334 Cb 0.30 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 9icx n SER 334 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19