#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3igc s ARG 2 N 0.00 4.62 -0.39 0.03 3.52 -1.26 -4.77 118.95 120.70 3igc s ARG 2 Ca 0.00 1.73 -0.29 0.00 -0.13 0.00 0.00 55.73 57.04 3igc s ARG 2 Cb 0.00 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.16 3igc s ARG 2 CO 0.00 0.13 1.10 0.00 -0.81 0.00 0.00 175.30 175.72 3igc s ALA 3 N -0.51 3.35 0.17 6.12 0.00 -1.26 -0.64 121.76 129.00 3igc s ALA 3 Ca 0.48 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.21 3igc s ALA 3 Cb -0.30 -3.76 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 3igc s ALA 3 CO 0.36 -1.81 0.34 -0.51 0.00 0.00 0.00 175.76 174.14 3igc s LEU 4 N 3.98 4.28 -0.13 0.00 1.43 0.29 -4.90 118.68 123.64 3igc s LEU 4 Ca 0.46 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 3igc s LEU 4 Cb -0.10 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 3igc s LEU 4 CO 0.22 0.01 -0.02 -0.36 0.23 0.00 0.00 176.35 176.43 3igc s PHE 5 N -1.80 3.08 -0.14 0.29 0.40 0.55 0.01 117.98 120.36 3igc s PHE 5 Ca 0.36 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.59 3igc s PHE 5 Cb -0.11 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 3igc s PHE 5 CO 0.29 0.18 -0.01 -0.47 0.70 0.00 0.00 175.22 175.91 3igc s TYR 6 N -0.16 3.09 -0.19 0.36 5.04 -0.69 -0.49 117.35 124.31 3igc s TYR 6 Ca 0.04 -0.11 -0.05 0.00 -2.44 0.00 0.00 57.07 54.51 3igc s TYR 6 Cb -0.13 -1.94 0.09 0.00 0.35 0.00 0.00 41.96 40.34 3igc s TYR 6 CO 0.02 0.12 0.34 0.21 -1.34 0.00 0.00 175.55 174.90 3igc s LYS 7 N 0.06 0.26 -1.38 4.97 2.47 -0.12 -4.43 119.74 121.58 3igc s LYS 7 Ca 0.01 0.75 -0.04 0.00 -1.56 0.00 0.00 55.97 55.13 3igc s LYS 7 Cb -0.13 -0.12 0.02 0.00 -1.46 0.00 0.00 37.83 36.14 3igc s LYS 7 CO 0.02 -0.39 0.73 -3.47 0.16 0.00 0.00 175.35 172.40 3igc n ASP 8 N 5.37 -1.95 0.00 1.43 4.64 -1.26 -1.14 116.55 123.64 3igc n ASP 8 Ca -0.06 -0.84 0.00 0.00 -1.38 0.00 0.00 54.79 52.51 3igc n ASP 8 Cb 0.50 -3.88 0.00 0.00 -1.04 0.00 0.00 41.12 36.70 3igc n ASP 8 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3igc n GLY 9 N -1.65 1.23 3.49 0.27 0.00 -1.26 -5.02 105.19 102.24 3igc n GLY 9 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 3igc n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igc s LYS 10 N -0.42 1.77 0.01 1.61 -0.14 -0.29 -5.11 119.74 117.16 3igc s LYS 10 Ca 0.00 -1.22 0.07 0.00 -1.36 0.00 0.00 55.97 53.46 3igc s LYS 10 Cb 0.00 -2.09 -0.03 0.00 -1.68 0.00 0.00 37.83 34.03 3igc s LYS 10 CO 0.00 0.47 -0.20 -0.51 -0.76 0.00 0.00 175.35 174.35 3igc s LEU 11 N -2.23 2.46 0.06 3.17 1.43 -1.26 -0.94 118.68 121.38 3igc s LEU 11 Ca 0.18 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3igc s LEU 11 Cb -0.10 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3igc s LEU 11 CO 0.10 0.29 -0.06 -0.36 0.23 0.00 0.00 176.35 176.55 3igc s PHE 12 N -0.81 0.70 -0.95 0.29 0.40 0.36 -1.73 117.98 116.24 3igc s PHE 12 Ca 0.13 -0.76 0.27 0.00 -0.60 0.00 0.00 56.93 55.96 3igc s PHE 12 Cb -0.10 -0.43 0.79 0.00 0.51 0.00 0.00 43.02 43.78 3igc s PHE 12 CO 0.03 -0.16 1.62 0.25 0.70 0.00 0.00 175.22 177.65 3igc n THR 13 N 0.65 0.06 -4.24 0.64 -2.24 -0.38 -0.33 114.28 108.44 3igc n THR 13 Ca -0.17 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.38 3igc n THR 13 Cb 0.58 -0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.59 3igc n THR 13 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3igc s ASP 14 N -3.18 2.03 0.00 3.42 -4.77 -1.26 -4.82 116.67 108.09 3igc s ASP 14 Ca 0.12 -0.78 0.29 0.00 -3.30 0.00 0.00 52.55 48.88 3igc s ASP 14 Cb 0.17 -0.07 1.28 0.00 -1.09 0.00 0.00 42.92 43.21 3igc s ASP 14 CO 0.63 -0.12 1.94 -0.46 0.70 0.00 0.00 175.17 177.87 3igc n ASN 15 N 0.65 0.03 -0.51 2.11 6.94 -1.26 -1.91 115.26 121.30 3igc n ASN 15 Ca -0.16 0.29 0.14 0.00 -0.02 0.00 0.00 54.58 54.82 3igc n ASN 15 Cb 0.56 -0.41 0.43 0.00 -2.36 0.00 0.00 39.78 38.01 3igc n ASN 15 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3igc n ASN 16 N -1.44 1.65 -2.94 0.53 3.02 -1.26 -4.97 115.26 109.86 3igc n ASN 16 Ca 0.09 -1.48 -0.21 0.00 -0.03 0.00 0.00 54.58 52.94 3igc n ASN 16 Cb 0.31 0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3igc n ASN 16 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3igc n PHE 17 N 0.21 -1.98 0.53 3.10 3.72 -0.80 -4.90 117.46 117.34 3igc n PHE 17 Ca 0.17 0.56 0.11 0.00 -0.05 0.00 0.00 57.45 58.24 3igc n PHE 17 Cb 0.39 -4.41 -0.10 0.00 -0.94 0.00 0.00 39.48 34.43 3igc n PHE 17 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3igc n LEU 18 N -3.96 0.55 -3.81 4.37 4.77 -1.26 -4.81 117.00 112.85 3igc n LEU 18 Ca -0.09 -0.20 -0.29 0.00 -0.03 0.00 0.00 56.01 55.40 3igc n LEU 18 Cb 0.61 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 3igc n LEU 18 CO 0.47 0.11 -0.20 0.21 -1.33 0.00 0.00 177.39 176.65 3igc s ASN 19 N -3.78 3.94 0.53 -1.43 2.47 -1.26 -5.09 114.94 110.32 3igc s ASN 19 Ca 0.01 -2.95 -0.20 0.00 0.42 0.00 0.00 52.86 50.14 3igc s ASN 19 Cb 0.15 -1.31 -0.06 0.00 -1.45 0.00 0.00 41.25 38.58 3igc s ASN 19 CO 0.86 -0.23 1.16 -2.16 -3.72 0.00 0.00 177.10 173.02 3igc s PRO 20 N -0.13 3.40 0.79 0.43 0.04 -1.26 -1.25 135.00 137.02 3igc s PRO 20 Ca 0.19 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 3igc s PRO 20 Cb -0.21 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3igc s PRO 20 CO -0.03 -0.84 1.16 0.14 0.04 0.00 0.00 177.00 177.47 3igc s VAL 21 N -1.65 2.21 0.66 -0.36 -7.23 -0.71 -4.80 120.40 108.52 3igc s VAL 21 Ca 0.71 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.77 3igc s VAL 21 Cb -0.27 -3.06 -0.00 0.00 0.56 0.00 0.00 36.38 33.60 3igc s VAL 21 CO 0.31 -0.08 1.14 -0.44 -0.31 0.00 0.00 175.10 175.72 3igc s SER 22 N -4.55 4.97 0.55 4.85 0.01 -1.26 -4.90 113.70 113.36 3igc s SER 22 Ca 0.61 2.15 0.26 0.00 1.31 0.00 0.00 55.95 60.28 3igc s SER 22 Cb -0.11 -2.57 1.57 0.00 0.21 0.00 0.00 66.02 65.12 3igc s SER 22 CO 0.49 -1.73 2.16 0.44 0.41 0.00 0.00 173.24 175.01 3igc h ASP 23 N 0.18 0.00 -0.51 2.44 3.32 -1.99 -1.15 116.42 118.72 3igc h ASP 23 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3igc h ASP 23 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3igc h ASP 23 CO 0.53 0.06 0.00 -0.46 -1.72 0.00 0.00 179.24 177.65 3igc n ASN 24 N -3.88 3.10 -4.69 6.45 0.23 -1.26 -4.91 115.26 110.29 3igc n ASN 24 Ca -0.03 -2.12 -0.44 0.00 -0.53 0.00 0.00 54.58 51.47 3igc n ASN 24 Cb 0.15 -0.40 -0.02 0.00 -2.08 0.00 0.00 39.78 37.43 3igc n ASN 24 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3igc n ASN 25 N 0.94 3.05 0.31 0.53 2.85 -0.44 -4.86 115.26 117.64 3igc n ASN 25 Ca 0.18 1.14 0.18 0.00 -0.11 0.00 0.00 54.58 55.97 3igc n ASN 25 Cb 0.53 -1.47 0.98 0.00 1.24 0.00 0.00 39.78 41.06 3igc n ASN 25 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3igc h PRO 26 N 4.38 0.00 0.00 1.20 0.11 -1.91 -2.14 132.00 133.64 3igc h PRO 26 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3igc h PRO 26 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3igc h PRO 26 CO 0.77 0.03 -0.05 0.00 -0.21 0.00 0.00 178.00 178.53 3igc h ALA 27 N 1.97 1.25 0.00 -0.75 0.00 -1.80 -1.21 119.26 118.73 3igc h ALA 27 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3igc h ALA 27 Cb 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3igc h ALA 27 CO 0.00 0.07 -0.19 1.88 0.00 0.00 0.00 179.25 181.01 3igc h TYR 28 N 0.00 0.00 -0.13 0.00 0.05 -1.70 -1.48 116.97 113.72 3igc h TYR 28 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 3igc h TYR 28 Cb 0.20 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 3igc h TYR 28 CO 0.00 0.19 -0.06 1.49 -1.05 0.00 0.00 178.16 178.73 3igc h GLU 29 N 0.00 0.27 -0.69 4.88 4.81 -1.39 -2.94 114.58 119.52 3igc h GLU 29 Ca -0.00 -0.12 0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3igc h GLU 29 Cb 0.40 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.64 3igc h GLU 29 CO 0.03 0.61 -0.13 0.28 -0.73 0.00 0.00 179.01 179.07 3igc h VAL 30 N -0.08 0.33 0.00 0.32 2.07 -1.36 0.93 116.25 118.47 3igc h VAL 30 Ca 0.03 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.54 3igc h VAL 30 Cb 0.53 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3igc h VAL 30 CO 0.02 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 3igc h LEU 31 N 0.02 0.00 -0.20 2.57 3.38 -1.16 0.18 115.31 120.10 3igc h LEU 31 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3igc h LEU 31 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3igc h LEU 31 CO -0.68 0.00 0.00 1.56 0.09 0.00 0.00 178.44 179.41 3igc h GLN 32 N 0.00 0.00 0.00 1.13 4.20 -0.64 -3.33 115.11 116.48 3igc h GLN 32 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3igc h GLN 32 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3igc h GLN 32 CO 0.00 0.00 -0.89 0.72 -0.67 0.00 0.00 178.83 177.99 3igc n HIS 33 N -2.73 0.00 -4.11 2.96 8.25 0.57 -5.01 115.22 115.15 3igc n HIS 33 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 3igc n HIS 33 Cb 0.45 -0.08 -0.11 0.00 1.12 0.00 0.00 29.99 31.37 3igc n HIS 33 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3igc s VAL 34 N -2.47 0.76 -0.22 1.59 -7.23 -0.89 -5.11 120.40 106.82 3igc s VAL 34 Ca 0.03 -1.24 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 3igc s VAL 34 Cb 0.10 -0.87 -0.04 0.00 0.56 0.00 0.00 36.38 36.13 3igc s VAL 34 CO 0.58 -0.37 0.42 -0.75 -0.31 0.00 0.00 175.10 174.67 3igc s LYS 35 N -1.85 4.14 -0.24 4.82 2.20 -1.26 -4.76 119.74 122.79 3igc s LYS 35 Ca -0.05 0.22 -0.29 0.00 -0.36 0.00 0.00 55.97 55.49 3igc s LYS 35 Cb -0.09 -3.57 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 3igc s LYS 35 CO 0.01 -0.13 1.23 0.42 -0.36 0.00 0.00 175.35 176.53 3igc s ILE 36 N 1.58 4.29 0.19 5.43 -1.09 -1.26 -4.98 121.20 125.37 3igc s ILE 36 Ca 0.19 1.52 -0.32 0.00 -2.23 0.00 0.00 60.65 59.82 3igc s ILE 36 Cb -0.15 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.49 3igc s ILE 36 CO 0.09 -0.30 1.63 -2.84 -1.23 0.00 0.00 174.94 172.28 3igc s PRO 37 N 3.74 4.17 0.55 2.79 0.02 -1.26 -4.88 135.00 140.13 3igc s PRO 37 Ca 0.53 2.48 0.24 0.00 0.02 0.00 0.00 61.00 64.26 3igc s PRO 37 Cb -0.18 -3.11 1.52 0.00 0.02 0.00 0.00 34.50 32.75 3igc s PRO 37 CO 0.17 -0.66 2.15 1.79 -0.33 0.00 0.00 177.00 180.11 3igc h THR 38 N 3.87 0.73 0.00 0.99 1.35 -2.04 -2.06 112.91 115.76 3igc h THR 38 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3igc h THR 38 Cb 1.20 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 3igc h THR 38 CO 0.92 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.19 3igc n HIS 39 N -4.18 0.00 -3.98 4.73 1.44 -1.26 -4.82 115.22 107.15 3igc n HIS 39 Ca -0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.38 3igc n HIS 39 Cb 0.20 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 30.23 3igc n HIS 39 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3igc s LEU 40 N -2.05 4.15 0.40 2.39 1.43 -0.77 -4.38 118.68 119.85 3igc s LEU 40 Ca 0.39 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 3igc s LEU 40 Cb 0.18 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 3igc s LEU 40 CO 0.32 0.23 0.03 0.42 0.23 0.00 0.00 176.35 177.58 3igc s THR 41 N -1.35 1.49 -1.31 5.49 -4.23 0.79 -4.82 115.64 111.71 3igc s THR 41 Ca 0.28 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.75 3igc s THR 41 Cb -0.12 -2.75 -0.00 0.00 1.34 0.00 0.00 72.50 70.97 3igc s THR 41 CO 0.20 0.00 0.60 0.47 -0.54 0.00 0.00 174.62 175.35 3igc n ASP 42 N -0.96 -1.71 -4.73 3.99 8.00 -1.26 0.09 116.55 119.97 3igc n ASP 42 Ca -0.07 -0.94 -0.41 0.00 0.71 0.00 0.00 54.79 54.09 3igc n ASP 42 Cb 0.67 -3.51 -0.05 0.00 -0.02 0.00 0.00 41.12 38.21 3igc n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3igc s VAL 43 N -3.75 4.36 -0.11 2.53 1.01 -1.26 -4.45 120.40 118.73 3igc s VAL 43 Ca 0.10 2.02 0.01 0.00 0.00 0.00 0.00 61.98 64.11 3igc s VAL 43 Cb -0.03 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 3igc s VAL 43 CO 0.85 0.34 -0.14 -0.69 0.00 0.00 0.00 175.10 175.47 3igc s VAL 44 N -0.20 3.04 -0.10 2.92 1.01 0.11 -1.71 120.40 125.47 3igc s VAL 44 Ca 0.46 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3igc s VAL 44 Cb -0.24 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3igc s VAL 44 CO 0.31 0.54 -0.20 -0.69 0.00 0.00 0.00 175.10 175.06 3igc s VAL 45 N 0.11 1.77 0.21 2.92 1.01 0.10 -0.44 120.40 126.08 3igc s VAL 45 Ca -0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 3igc s VAL 45 Cb -0.15 -1.56 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 3igc s VAL 45 CO 0.05 0.50 1.06 -0.31 0.00 0.00 0.00 175.10 176.39 3igc s TYR 46 N 0.56 3.69 -0.72 5.22 1.51 -0.63 -0.55 117.35 126.44 3igc s TYR 46 Ca -0.15 1.70 -0.26 0.00 -1.01 0.00 0.00 57.07 57.35 3igc s TYR 46 Cb -0.17 -3.20 0.04 0.00 -0.11 0.00 0.00 41.96 38.52 3igc s TYR 46 CO 0.05 -0.31 1.22 0.20 -1.11 0.00 0.00 175.55 175.60 3igc s GLY 47 N -0.48 0.97 0.16 0.71 0.00 0.19 -4.69 107.32 104.19 3igc s GLY 47 Ca 0.46 -1.44 -0.24 0.00 0.00 0.00 0.00 44.72 43.50 3igc s GLY 47 CO 0.35 2.54 0.75 -0.86 0.00 0.00 0.00 173.10 175.89 3igc s GLN 48 N 5.43 1.33 0.85 2.90 -2.07 -1.26 -4.29 119.66 122.55 3igc s GLN 48 Ca 0.33 -0.62 -0.12 0.00 -1.82 0.00 0.00 55.36 53.12 3igc s GLN 48 Cb -0.10 0.53 0.10 0.00 -1.09 0.00 0.00 33.01 32.45 3igc s GLN 48 CO 0.14 -0.60 1.14 0.95 -1.32 0.00 0.00 175.29 175.60 3igc s THR 49 N -3.60 2.31 0.21 3.63 -4.23 -1.26 -2.80 115.64 109.91 3igc s THR 49 Ca 0.07 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.61 3igc s THR 49 Cb -0.03 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.02 3igc s THR 49 CO -0.04 -0.13 1.74 -0.25 -0.54 0.00 0.00 174.62 175.40 3igc h TRP 50 N -1.26 1.16 -0.51 3.99 2.91 -1.90 -0.36 115.95 119.98 3igc h TRP 50 Ca -0.48 -0.13 0.06 0.00 1.13 0.00 0.00 58.89 59.47 3igc h TRP 50 Cb 1.31 -0.33 -0.05 0.00 -0.51 0.00 0.00 29.16 29.58 3igc h TRP 50 CO 0.34 0.93 0.21 1.49 -1.03 0.00 0.00 178.44 180.39 3igc h GLU 51 N 1.06 0.40 -0.62 2.65 4.81 -1.99 -1.77 114.58 119.13 3igc h GLU 51 Ca 0.23 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3igc h GLU 51 Cb 0.34 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3igc h GLU 51 CO -0.00 0.27 0.14 0.93 -0.73 0.00 0.00 179.01 179.61 3igc h GLU 52 N 0.42 0.98 0.00 1.92 5.08 -1.89 -3.11 114.58 117.98 3igc h GLU 52 Ca 0.24 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3igc h GLU 52 Cb 0.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3igc h GLU 52 CO -0.21 0.88 -0.08 0.00 -1.00 0.00 0.00 179.01 178.60 3igc h ALA 53 N 1.21 1.54 -0.90 3.43 0.00 -0.24 -3.10 119.26 121.21 3igc h ALA 53 Ca 0.20 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3igc h ALA 53 Cb 0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3igc h ALA 53 CO 0.00 0.10 0.58 -0.07 0.00 0.00 0.00 179.25 179.86 3igc h LEU 54 N 0.00 0.63 -2.87 0.00 4.07 -1.30 -2.38 115.31 113.47 3igc h LEU 54 Ca -0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3igc h LEU 54 Cb 0.18 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.84 3igc h LEU 54 CO 0.01 0.31 0.00 0.35 -1.08 0.00 0.00 178.44 178.03 3igc n THR 55 N -4.57 1.07 -4.29 0.22 -2.24 -1.17 -0.91 114.28 102.40 3igc n THR 55 Ca 0.18 -1.03 -0.17 0.00 -2.27 0.00 0.00 64.05 60.76 3igc n THR 55 Cb 0.50 0.46 -0.09 0.00 -2.10 0.00 0.00 70.33 69.10 3igc n THR 55 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3igc s ARG 56 N -1.09 1.51 0.22 -0.78 0.52 -0.90 -4.49 118.95 113.95 3igc s ARG 56 Ca 0.32 -1.85 -0.30 0.00 -0.52 0.00 0.00 55.73 53.38 3igc s ARG 56 Cb 0.17 0.09 -0.10 0.00 0.52 0.00 0.00 34.95 35.64 3igc s ARG 56 CO 0.21 -0.47 1.44 -1.17 0.02 0.00 0.00 175.30 175.33 3igc s LEU 57 N -3.31 4.39 -0.11 2.53 2.96 -1.26 -1.22 118.68 122.65 3igc s LEU 57 Ca 0.38 2.61 -0.10 0.00 -0.22 0.00 0.00 54.13 56.79 3igc s LEU 57 Cb 0.05 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.08 3igc s LEU 57 CO 0.18 -0.70 -0.22 -0.38 -1.32 0.00 0.00 176.35 173.91 3igc n ILE 58 N 2.73 1.24 -3.81 6.68 5.41 -0.24 -4.78 119.36 126.60 3igc n ILE 58 Ca 0.08 0.06 -0.09 0.00 1.00 0.00 0.00 62.75 63.80 3igc n ILE 58 Cb 0.40 -1.94 -0.07 0.00 -0.71 0.00 0.00 39.64 37.32 3igc n ILE 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3igc s PHE 59 N -2.48 0.07 0.02 1.39 -0.12 -1.17 -1.60 117.98 114.10 3igc s PHE 59 Ca -0.20 -0.47 0.02 0.00 -0.05 0.00 0.00 56.93 56.22 3igc s PHE 59 Cb 0.05 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 3igc s PHE 59 CO 0.28 -0.57 -0.06 0.14 -0.05 0.00 0.00 175.22 174.96 3igc s VAL 60 N -3.80 0.40 0.20 -2.49 -7.23 0.41 -1.19 120.40 106.70 3igc s VAL 60 Ca 0.04 -0.71 -0.14 0.00 -1.81 0.00 0.00 61.98 59.37 3igc s VAL 60 Cb 0.04 -0.43 0.01 0.00 0.56 0.00 0.00 36.38 36.55 3igc s VAL 60 CO -0.11 -0.22 0.44 -0.83 -0.31 0.00 0.00 175.10 174.07 3igc s GLY 61 N -0.99 0.26 -0.16 2.32 0.00 -0.47 -0.71 107.32 107.57 3igc s GLY 61 Ca -0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 44.72 43.93 3igc s GLY 61 CO -0.00 -0.54 0.20 -0.56 0.00 0.00 0.00 173.10 172.21 3igc s SER 62 N -2.94 6.36 0.70 1.64 0.01 0.11 -0.21 113.70 119.38 3igc s SER 62 Ca 0.15 0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 3igc s SER 62 Cb 0.00 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.15 3igc s SER 62 CO 0.02 0.21 0.29 -0.90 0.41 0.00 0.00 173.24 173.27 3igc n ASP 63 N 3.10 0.21 0.24 2.44 5.68 -0.68 -0.15 116.55 127.38 3igc n ASP 63 Ca -0.15 -1.22 0.16 0.00 -0.50 0.00 0.00 54.79 53.08 3igc n ASP 63 Cb 0.53 -0.21 0.69 0.00 -1.14 0.00 0.00 41.12 40.99 3igc n ASP 63 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3igc h SER 64 N -0.28 0.00 -0.58 -1.12 4.64 -1.91 -0.49 113.55 113.81 3igc h SER 64 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3igc h SER 64 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3igc h SER 64 CO 0.08 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 3igc n LYS 65 N -2.79 2.44 -0.89 4.77 5.02 -1.26 -4.94 118.16 120.50 3igc n LYS 65 Ca 0.00 -2.23 0.00 0.00 -2.02 0.00 0.00 58.31 54.07 3igc n LYS 65 Cb 0.24 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3igc n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3igc n GLY 66 N 1.49 0.74 3.75 0.72 0.00 -0.19 -5.03 105.19 106.68 3igc n GLY 66 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3igc n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3igc s ARG 67 N -0.11 4.75 -0.23 1.61 0.52 -1.26 -4.75 118.95 119.48 3igc s ARG 67 Ca 0.00 1.64 -0.25 0.00 -0.52 0.00 0.00 55.73 56.61 3igc s ARG 67 Cb 0.00 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 3igc s ARG 67 CO 0.00 0.37 0.83 1.03 0.02 0.00 0.00 175.30 177.54 3igc s ARG 68 N -1.29 4.20 -0.14 3.54 1.81 -1.26 -1.69 118.95 124.12 3igc s ARG 68 Ca 0.43 0.95 -0.03 0.00 -1.72 0.00 0.00 55.73 55.36 3igc s ARG 68 Cb -0.29 -3.63 -0.03 0.00 -0.45 0.00 0.00 34.95 30.55 3igc s ARG 68 CO 0.36 -0.49 -0.05 -0.65 -0.68 0.00 0.00 175.30 173.79 3igc s GLN 69 N 2.74 3.49 -0.05 3.54 -1.52 0.71 -4.93 119.66 123.64 3igc s GLN 69 Ca 0.35 -0.54 0.02 0.00 -1.95 0.00 0.00 55.36 53.24 3igc s GLN 69 Cb -0.15 -2.83 -0.03 0.00 -0.22 0.00 0.00 33.01 29.78 3igc s GLN 69 CO 0.08 0.31 -0.10 0.71 -0.25 0.00 0.00 175.29 176.03 3igc s TYR 70 N 0.17 2.82 -0.20 0.91 1.51 -1.26 -1.36 117.35 119.93 3igc s TYR 70 Ca -0.03 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3igc s TYR 70 Cb -0.14 -1.66 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 3igc s TYR 70 CO 0.03 0.27 -0.03 -0.06 -1.11 0.00 0.00 175.55 174.65 3igc s PHE 71 N -0.79 1.77 0.13 2.71 0.40 -0.33 -5.02 117.98 116.85 3igc s PHE 71 Ca 0.12 -1.28 0.03 0.00 -0.60 0.00 0.00 56.93 55.20 3igc s PHE 71 Cb -0.11 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3igc s PHE 71 CO 0.01 -0.68 0.19 0.71 0.70 0.00 0.00 175.22 176.16 3igc s TYR 72 N 1.61 3.33 0.79 0.36 1.51 -1.26 -1.07 117.35 122.62 3igc s TYR 72 Ca -0.02 0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 56.01 3igc s TYR 72 Cb -0.17 -1.62 0.07 0.00 -0.11 0.00 0.00 41.96 40.13 3igc s TYR 72 CO -0.07 0.53 1.12 0.20 -1.11 0.00 0.00 175.55 176.22 3igc s GLY 73 N -2.95 1.80 0.31 0.71 0.00 -0.36 -4.85 107.32 101.98 3igc s GLY 73 Ca 0.33 0.45 -0.01 0.00 0.00 0.00 0.00 44.72 45.48 3igc s GLY 73 CO 0.26 0.82 1.97 0.50 0.00 0.00 0.00 173.10 176.65 3igc h LYS 74 N -1.12 1.06 -0.07 2.90 6.56 -1.78 -1.73 116.57 122.38 3igc h LYS 74 Ca -0.44 -0.06 -0.15 0.00 -1.06 0.00 0.00 60.65 58.93 3igc h LYS 74 Cb 1.25 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 32.66 3igc h LYS 74 CO 0.49 0.70 -0.62 1.98 -2.06 0.00 0.00 179.45 179.94 3igc h MET 75 N 1.09 0.26 -0.44 3.15 4.05 -1.38 -0.19 114.93 121.46 3igc h MET 75 Ca 0.30 -0.18 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 3igc h MET 75 Cb -0.12 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.66 3igc h MET 75 CO -0.06 0.79 0.18 1.25 0.23 0.00 0.00 176.91 179.30 3igc h HIS 76 N 0.19 0.32 -0.34 1.39 -0.00 -0.71 0.13 115.15 116.13 3igc h HIS 76 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3igc h HIS 76 Cb 1.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.45 3igc h HIS 76 CO 0.02 0.14 0.14 0.28 -0.00 0.00 0.00 177.93 178.52 3igc h VAL 77 N 0.37 1.18 -0.90 5.26 2.07 -1.15 -0.64 116.25 122.44 3igc h VAL 77 Ca 0.20 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 3igc h VAL 77 Cb 0.17 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3igc h VAL 77 CO -0.18 0.19 0.48 -0.61 0.02 0.00 0.00 177.57 177.47 3igc h GLN 78 N 0.41 1.26 -0.18 1.57 4.15 -0.73 -0.61 115.11 120.98 3igc h GLN 78 Ca 0.11 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.28 3igc h GLN 78 Cb 0.17 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3igc h GLN 78 CO -0.01 0.93 -0.32 -0.91 -1.93 0.00 0.00 178.83 176.58 3igc h ASN 79 N 1.26 0.36 0.01 -0.69 -0.26 -0.39 -0.56 115.58 115.31 3igc h ASN 79 Ca 0.31 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3igc h ASN 79 Cb 0.05 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 3igc h ASN 79 CO -0.05 0.67 -0.00 -0.09 -1.06 0.00 0.00 177.43 176.90 3igc h ARG 80 N 0.31 -0.01 -0.82 0.81 2.43 -0.54 -3.03 114.38 113.52 3igc h ARG 80 Ca 0.04 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.30 3igc h ARG 80 Cb 0.72 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 3igc h ARG 80 CO 0.06 0.17 0.48 -0.91 -1.51 0.00 0.00 179.97 178.25 3igc h ASN 81 N -0.19 0.70 0.22 -3.80 2.35 -0.75 -2.62 115.58 111.50 3igc h ASN 81 Ca -0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3igc h ASN 81 Cb 0.18 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3igc h ASN 81 CO 0.00 0.42 -0.07 0.00 -1.65 0.00 0.00 177.43 176.13 3igc h ALA 82 N 1.44 1.35 0.00 -0.83 0.00 -1.03 -2.73 119.26 117.46 3igc h ALA 82 Ca 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3igc h ALA 82 Cb 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3igc h ALA 82 CO -0.23 0.09 -0.05 0.87 0.00 0.00 0.00 179.25 179.93 3igc h LYS 83 N 0.00 0.00 -0.17 0.00 1.57 -1.35 -3.22 116.57 113.41 3igc h LYS 83 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3igc h LYS 83 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3igc h LYS 83 CO 0.01 0.05 -0.33 0.00 -0.57 0.00 0.00 179.45 178.61 3igc h ARG 84 N 0.00 0.35 -0.36 3.15 3.08 -1.63 -0.67 114.38 118.30 3igc h ARG 84 Ca -0.00 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 59.98 3igc h ARG 84 Cb 0.41 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 3igc h ARG 84 CO 0.01 0.64 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.88 3igc h ASP 85 N 0.30 -0.75 -0.51 7.04 3.32 -1.78 0.75 116.42 124.80 3igc h ASP 85 Ca 0.04 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 3igc h ASP 85 Cb 0.73 0.38 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 3igc h ASP 85 CO 0.06 -0.25 0.06 0.03 -1.72 0.00 0.00 179.24 177.42 3igc h ARG 86 N -0.17 0.85 -0.81 3.56 3.08 -1.37 -2.41 114.38 117.11 3igc h ARG 86 Ca 0.18 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3igc h ARG 86 Cb 0.45 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.37 3igc h ARG 86 CO -0.47 0.85 0.38 0.82 -1.07 0.00 0.00 179.97 180.49 3igc h ILE 87 N 0.72 1.25 -0.39 2.04 2.04 -0.96 -0.32 117.51 121.90 3igc h ILE 87 Ca 0.15 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3igc h ILE 87 Cb 0.43 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3igc h ILE 87 CO 0.01 0.31 0.21 0.15 0.00 0.00 0.00 178.15 178.82 3igc h PHE 88 N 1.14 0.55 -0.35 1.37 3.57 -0.54 -1.41 116.94 121.27 3igc h PHE 88 Ca 0.28 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 3igc h PHE 88 Cb 0.13 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3igc h PHE 88 CO 0.01 0.44 0.10 0.28 -2.23 0.00 0.00 178.31 176.90 3igc h VAL 89 N 0.50 1.22 -0.29 1.41 2.07 -1.18 -2.47 116.25 117.51 3igc h VAL 89 Ca 0.14 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3igc h VAL 89 Cb 0.08 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3igc h VAL 89 CO -0.02 0.25 0.14 -0.09 0.02 0.00 0.00 177.57 177.87 3igc h ARG 90 N 0.42 0.29 -0.55 1.57 2.43 -0.78 -0.93 114.38 116.82 3igc h ARG 90 Ca 0.11 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3igc h ARG 90 Cb 0.28 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3igc h ARG 90 CO -0.00 0.19 0.19 0.28 -1.51 0.00 0.00 179.97 179.12 3igc h VAL 91 N 0.29 1.23 -0.79 0.20 2.07 -1.26 -2.40 116.25 115.59 3igc h VAL 91 Ca 0.12 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 66.97 3igc h VAL 91 Cb 0.05 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 3igc h VAL 91 CO -0.09 0.28 0.45 0.22 0.02 0.00 0.00 177.57 178.46 3igc h TYR 92 N 0.75 0.83 0.00 1.57 3.20 -1.02 -0.57 116.97 121.73 3igc h TYR 92 Ca 0.18 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3igc h TYR 92 Cb 0.25 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.27 3igc h TYR 92 CO 0.01 0.36 0.00 -0.91 -1.64 0.00 0.00 178.16 175.98 3igc h ASN 93 N 0.79 0.00 -0.01 -2.11 -0.26 -0.86 -3.14 115.58 109.98 3igc h ASN 93 Ca 0.37 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.11 3igc h ASN 93 Cb 0.30 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3igc h ASN 93 CO -0.23 0.00 -0.06 0.55 -1.06 0.00 0.00 177.43 176.63 3igc n VAL 94 N -2.88 0.00 -0.25 2.81 3.14 -0.56 -4.67 118.33 115.92 3igc n VAL 94 Ca 0.01 -0.47 -0.04 0.00 -2.96 0.00 0.00 64.34 60.89 3igc n VAL 94 Cb 0.30 1.18 0.13 0.00 -1.06 0.00 0.00 33.84 34.40 3igc n VAL 94 CO 0.00 0.00 0.00 -0.03 -6.46 0.00 0.00 176.83 170.34 3igc h MET 95 N 1.73 1.09 -0.83 1.45 -1.53 -1.10 -2.43 114.93 113.32 3igc h MET 95 Ca 0.00 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.09 3igc h MET 95 Cb 0.40 -0.19 -0.04 0.00 -0.55 0.00 0.00 31.60 31.21 3igc h MET 95 CO 0.00 0.85 0.48 0.87 0.14 0.00 0.00 176.91 179.25 3igc h LYS 96 N 1.08 1.14 -0.74 0.39 6.56 -1.83 -0.69 116.57 122.48 3igc h LYS 96 Ca 0.26 -0.11 0.01 0.00 -1.06 0.00 0.00 60.65 59.75 3igc h LYS 96 Cb 0.14 -0.23 -0.04 0.00 -0.57 0.00 0.00 32.23 31.53 3igc h LYS 96 CO -0.03 0.81 0.48 -0.09 -2.06 0.00 0.00 179.45 178.57 3igc h ARG 97 N 1.15 0.95 -0.44 3.15 2.43 -1.81 0.19 114.38 120.00 3igc h ARG 97 Ca 0.30 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3igc h ARG 97 Cb -0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3igc h ARG 97 CO -0.05 0.63 0.19 0.82 -1.51 0.00 0.00 179.97 180.05 3igc h ILE 98 N 0.98 1.19 -0.17 1.20 2.04 -0.93 -0.69 117.51 121.13 3igc h ILE 98 Ca 0.28 -0.57 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 3igc h ILE 98 Cb -0.09 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3igc h ILE 98 CO -0.07 0.22 -0.34 0.78 0.00 0.00 0.00 178.15 178.73 3igc h ASN 99 N 0.56 0.35 -0.66 1.72 2.35 -0.93 -0.61 115.58 118.36 3igc h ASN 99 Ca 0.15 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3igc h ASN 99 Cb 0.16 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3igc h ASN 99 CO -0.02 0.68 0.23 -1.28 -1.65 0.00 0.00 177.43 175.40 3igc h SER 100 N 0.30 0.94 -0.27 5.81 0.87 -0.67 -1.12 113.55 119.41 3igc h SER 100 Ca 0.04 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 3igc h SER 100 Cb 0.75 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3igc h SER 100 CO 0.06 0.88 0.05 0.15 -0.53 0.00 0.00 176.83 177.44 3igc h PHE 101 N 0.95 0.47 -0.02 2.24 3.57 -0.68 -2.04 116.94 121.43 3igc h PHE 101 Ca 0.22 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3igc h PHE 101 Cb 0.26 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3igc h PHE 101 CO 0.02 0.54 -0.19 0.82 -2.23 0.00 0.00 178.31 177.27 3igc h ILE 102 N 0.27 0.55 -0.36 1.41 2.04 -1.05 -2.53 117.51 117.84 3igc h ILE 102 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.87 3igc h ILE 102 Cb 0.32 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3igc h ILE 102 CO 0.00 0.00 -0.07 0.78 0.00 0.00 0.00 178.15 178.86 3igc h ASN 103 N -0.29 0.59 -0.48 1.72 -0.26 -1.10 -0.46 115.58 115.29 3igc h ASN 103 Ca 0.06 -0.14 -0.05 0.00 -0.56 0.00 0.00 56.30 55.60 3igc h ASN 103 Cb 0.38 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.46 3igc h ASN 103 CO -0.19 0.70 0.11 0.50 -1.06 0.00 0.00 177.43 177.50 3igc h LYS 104 N 0.57 0.83 0.00 0.81 3.64 -1.33 -3.34 116.57 117.76 3igc h LYS 104 Ca 0.11 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3igc h LYS 104 Cb 0.47 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3igc h LYS 104 CO 0.02 0.76 -1.54 0.09 -2.27 0.00 0.00 179.45 176.52 3igc n ASN 105 N -4.26 0.60 0.00 4.20 3.02 -0.71 -4.38 115.26 113.73 3igc n ASN 105 Ca 0.04 -0.37 0.15 0.00 -0.03 0.00 0.00 54.58 54.37 3igc n ASN 105 Cb 0.24 1.57 0.83 0.00 -0.61 0.00 0.00 39.78 41.80 3igc n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3igc n ILE 106 N -1.92 0.03 0.96 2.41 0.13 -0.26 -2.17 119.36 118.53 3igc n ILE 106 Ca -0.01 0.01 0.11 0.00 -1.10 0.00 0.00 62.75 61.76 3igc n ILE 106 Cb 0.44 -0.54 0.03 0.00 -0.84 0.00 0.00 39.64 38.73 3igc n ILE 106 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 3igc n LYS 107 N -1.09 1.58 -1.69 9.51 2.85 -1.26 -4.93 118.16 123.13 3igc n LYS 107 Ca 0.19 -1.27 -0.30 0.00 -1.05 0.00 0.00 58.31 55.89 3igc n LYS 107 Cb 0.14 -1.45 0.17 0.00 -0.65 0.00 0.00 35.03 33.25 3igc n LYS 107 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3igc s LYS 108 N -2.24 0.62 0.48 -1.58 1.02 -0.92 -5.02 119.74 112.11 3igc s LYS 108 Ca 0.21 -0.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.86 3igc s LYS 108 Cb 0.18 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.60 3igc s LYS 108 CO 0.46 -2.47 1.13 0.45 -0.92 0.00 0.00 175.35 174.00 3igc s SER 109 N -4.49 6.12 0.60 2.83 0.15 -1.26 -4.93 113.70 112.73 3igc s SER 109 Ca 0.69 2.21 0.39 0.00 0.70 0.00 0.00 55.95 59.95 3igc s SER 109 Cb -0.08 -2.59 2.03 0.00 -1.71 0.00 0.00 66.02 63.67 3igc s SER 109 CO 0.53 -0.94 2.20 0.77 1.20 0.00 0.00 173.24 176.99 3igc h SER 110 N 1.82 0.00 0.01 5.45 4.64 -1.95 -0.68 113.55 122.84 3igc h SER 110 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3igc h SER 110 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3igc h SER 110 CO 0.59 0.00 -0.03 0.35 -0.87 0.00 0.00 176.83 176.88 3igc n THR 111 N -2.98 0.00 -2.91 2.95 -2.24 -1.26 -4.70 114.28 103.14 3igc n THR 111 Ca -0.02 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.12 3igc n THR 111 Cb 0.13 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.80 3igc n THR 111 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3igc s ASP 112 N -2.05 7.17 0.46 3.42 -1.08 -0.26 -4.95 116.67 119.38 3igc s ASP 112 Ca 0.36 1.42 0.14 0.00 -0.52 0.00 0.00 52.55 53.95 3igc s ASP 112 Cb 0.21 -2.48 1.05 0.00 -1.46 0.00 0.00 42.92 40.24 3igc s ASP 112 CO 0.35 -0.14 2.04 0.77 0.52 0.00 0.00 175.17 178.71 3igc h SER 113 N 6.55 0.07 -0.50 -0.34 4.64 -1.88 -1.42 113.55 120.66 3igc h SER 113 Ca -0.42 -0.01 -0.13 0.00 -0.47 0.00 0.00 61.79 60.77 3igc h SER 113 Cb 1.21 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3igc h SER 113 CO 0.74 0.16 -0.18 0.78 -0.87 0.00 0.00 176.83 177.46 3igc h ASN 114 N 0.08 1.03 -0.34 4.97 2.35 -1.93 0.53 115.58 122.27 3igc h ASN 114 Ca 0.02 -0.38 0.03 0.00 -0.55 0.00 0.00 56.30 55.42 3igc h ASN 114 Cb 0.19 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.24 3igc h ASN 114 CO 0.01 1.18 0.15 0.22 -1.65 0.00 0.00 177.43 177.35 3igc h TYR 115 N 0.88 0.28 -0.66 1.19 5.03 -1.53 -0.15 116.97 122.01 3igc h TYR 115 Ca 0.12 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.40 3igc h TYR 115 Cb 0.76 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 3igc h TYR 115 CO 0.05 0.14 0.22 1.96 -1.32 0.00 0.00 178.16 179.22 3igc h GLN 116 N 0.32 1.01 -0.71 1.82 4.20 -0.89 -0.74 115.11 120.12 3igc h GLN 116 Ca 0.15 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.66 3igc h GLN 116 Cb 0.08 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 3igc h GLN 116 CO -0.12 0.87 0.47 -0.07 -0.67 0.00 0.00 178.83 179.31 3igc h LEU 117 N 0.95 0.80 -0.52 1.46 4.07 -0.74 0.22 115.31 121.56 3igc h LEU 117 Ca 0.21 -0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.21 3igc h LEU 117 Cb 0.27 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 3igc h LEU 117 CO -0.01 0.58 0.24 0.00 -1.08 0.00 0.00 178.44 178.17 3igc h ALA 118 N 1.26 0.66 -0.27 1.53 0.00 -0.32 -0.69 119.26 121.43 3igc h ALA 118 Ca 0.26 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 3igc h ALA 118 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3igc h ALA 118 CO -0.06 -0.12 -0.40 0.28 0.00 0.00 0.00 179.25 178.96 3igc h VAL 119 N 0.47 1.29 -0.38 0.00 2.07 -0.29 -1.34 116.25 118.08 3igc h VAL 119 Ca 0.23 -1.56 0.03 0.00 0.82 0.00 0.00 66.70 66.22 3igc h VAL 119 Cb 0.17 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 3igc h VAL 119 CO -0.18 0.50 0.18 0.15 0.02 0.00 0.00 177.57 178.24 3igc h PHE 120 N 0.52 0.33 -0.44 1.57 3.04 -0.10 -0.48 116.94 121.37 3igc h PHE 120 Ca 0.05 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 61.88 3igc h PHE 120 Cb 0.91 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 3igc h PHE 120 CO 0.04 0.17 -0.25 0.52 -2.02 0.00 0.00 178.31 176.77 3igc h MET 121 N 0.37 0.92 0.14 1.11 2.86 -0.91 -1.04 114.93 118.38 3igc h MET 121 Ca 0.17 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3igc h MET 121 Cb 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.72 3igc h MET 121 CO -0.13 1.06 -0.07 1.25 1.06 0.00 0.00 176.91 180.09 3igc h LEU 122 N 0.79 -0.16 -0.86 1.22 5.85 -1.10 -0.29 115.31 120.76 3igc h LEU 122 Ca 0.10 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3igc h LEU 122 Cb 0.81 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 3igc h LEU 122 CO 0.07 0.01 0.51 0.24 -0.34 0.00 0.00 178.44 178.93 3igc h MET 123 N -0.32 0.85 -0.25 1.25 2.86 -1.06 -1.69 114.93 116.57 3igc h MET 123 Ca -0.02 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 3igc h MET 123 Cb 0.26 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3igc h MET 123 CO 0.03 0.56 0.01 1.49 1.06 0.00 0.00 176.91 180.06 3igc h GLU 124 N 0.88 0.44 0.00 1.72 4.57 -0.93 0.82 114.58 122.08 3igc h GLU 124 Ca 0.41 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 3igc h GLU 124 Cb 0.32 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3igc h GLU 124 CO -0.23 0.61 0.00 1.79 -1.18 0.00 0.00 179.01 180.00 3igc h THR 125 N 0.23 0.00 0.10 0.32 1.35 -0.88 0.27 112.91 114.29 3igc h THR 125 Ca 0.07 -0.48 -0.25 0.00 -0.55 0.00 0.00 66.41 65.20 3igc h THR 125 Cb 0.40 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 3igc h THR 125 CO 0.01 0.00 -1.27 0.24 -0.25 0.00 0.00 175.52 174.25 3igc h MET 126 N 0.00 0.21 0.00 4.72 2.86 -1.23 -3.44 114.93 118.05 3igc h MET 126 Ca 0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3igc h MET 126 Cb 0.70 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3igc h MET 126 CO 0.00 1.17 -0.42 1.19 1.06 0.00 0.00 176.91 179.91 3igc n PHE 127 N -4.02 0.00 -1.50 -0.22 0.99 0.27 -5.02 117.46 107.96 3igc n PHE 127 Ca -0.24 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.05 3igc n PHE 127 Cb 0.85 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 39.24 3igc n PHE 127 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3igc n PHE 128 N -1.22 -0.03 -1.77 1.38 0.99 0.92 -4.93 117.46 112.80 3igc n PHE 128 Ca 0.01 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 3igc n PHE 128 Cb 0.10 -2.82 0.03 0.00 -1.00 0.00 0.00 39.48 35.78 3igc n PHE 128 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3igc s ILE 129 N -2.61 2.02 0.69 4.37 1.01 -1.26 -4.67 121.20 120.75 3igc s ILE 129 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 3igc s ILE 129 Cb 0.00 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.48 3igc s ILE 129 CO 0.00 0.00 1.22 -0.13 0.00 0.00 0.00 174.94 176.03 3igc s ARG 130 N -2.61 2.37 0.23 2.79 0.52 -1.26 -4.77 118.95 116.22 3igc s ARG 130 Ca 0.65 1.81 -0.09 0.00 -0.52 0.00 0.00 55.73 57.58 3igc s ARG 130 Cb -0.43 -1.86 0.36 0.00 0.52 0.00 0.00 34.95 33.55 3igc s ARG 130 CO 0.54 -1.67 1.65 0.35 0.02 0.00 0.00 175.30 176.20 3igc h PHE 131 N 0.06 -0.04 -2.83 -0.53 3.57 -1.93 -0.03 116.94 115.22 3igc h PHE 131 Ca -0.49 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3igc h PHE 131 Cb 1.30 0.13 0.00 0.00 2.79 0.00 0.00 35.95 40.17 3igc h PHE 131 CO 0.46 -0.20 0.00 0.41 -2.23 0.00 0.00 178.31 176.75 3igc n GLY 132 N -1.39 0.38 3.76 2.40 0.00 -1.26 -0.81 105.19 108.27 3igc n GLY 132 Ca 0.11 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3igc n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3igc s LYS 133 N -2.94 4.21 0.28 1.61 1.02 -1.26 -3.89 119.74 118.77 3igc s LYS 133 Ca 0.00 2.41 0.02 0.00 0.02 0.00 0.00 55.97 58.42 3igc s LYS 133 Cb 0.00 -3.05 0.58 0.00 -0.52 0.00 0.00 37.83 34.85 3igc s LYS 133 CO 0.00 -0.45 1.81 0.52 -0.92 0.00 0.00 175.35 176.32 3igc h MET 134 N 4.11 0.86 -0.87 1.68 2.86 -1.96 -2.35 114.93 119.26 3igc h MET 134 Ca -0.48 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3igc h MET 134 Cb 1.23 -0.19 -0.09 0.00 0.06 0.00 0.00 31.60 32.60 3igc h MET 134 CO 0.72 0.57 0.47 -0.22 1.06 0.00 0.00 176.91 179.51 3igc h LYS 135 N 0.89 0.65 0.00 1.72 3.64 -1.97 -0.39 116.57 121.10 3igc h LYS 135 Ca 0.51 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.74 3igc h LYS 135 Cb 0.59 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3igc h LYS 135 CO -0.30 0.43 -0.51 1.88 -2.27 0.00 0.00 179.45 178.68 3igc h TYR 136 N 0.67 0.00 0.19 1.91 -1.99 -1.75 -0.05 116.97 115.95 3igc h TYR 136 Ca 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.20 3igc h TYR 136 Cb 0.65 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.37 3igc h TYR 136 CO -0.08 0.51 -0.12 1.25 -0.00 0.00 0.00 178.16 179.72 3igc h LEU 137 N 0.00 -0.31 -0.15 3.88 6.46 -1.31 0.16 115.31 124.04 3igc h LEU 137 Ca -0.01 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 3igc h LEU 137 Cb 1.35 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 3igc h LEU 137 CO 0.07 -0.20 0.06 0.11 -0.62 0.00 0.00 178.44 177.85 3igc h LYS 138 N -0.31 0.23 -0.18 1.25 1.57 -0.95 -0.08 116.57 118.10 3igc h LYS 138 Ca -0.02 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3igc h LYS 138 Cb 0.26 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 3igc h LYS 138 CO 0.01 0.33 -0.06 0.93 -0.57 0.00 0.00 179.45 180.09 3igc h GLU 139 N 0.08 0.35 0.00 3.15 5.08 -1.03 -3.39 114.58 118.82 3igc h GLU 139 Ca 0.05 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3igc h GLU 139 Cb 0.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3igc h GLU 139 CO -0.00 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.73 3igc n ASN 140 N -4.63 0.77 -1.44 1.42 3.02 0.52 -4.99 115.26 109.93 3igc n ASN 140 Ca -0.05 -1.06 -0.17 0.00 -0.03 0.00 0.00 54.58 53.27 3igc n ASN 140 Cb 0.29 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.40 3igc n ASN 140 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3igc n GLU 141 N -0.03 -1.21 -2.54 3.52 1.02 -0.04 -4.96 120.64 116.40 3igc n GLU 141 Ca 0.00 1.02 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 3igc n GLU 141 Cb 0.09 -5.29 -0.04 0.00 -0.02 0.00 0.00 31.44 26.19 3igc n GLU 141 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3igc s THR 142 N -2.67 4.12 -0.10 2.62 2.01 -0.93 -4.87 115.64 115.81 3igc s THR 142 Ca 0.00 1.68 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 3igc s THR 142 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 3igc s THR 142 CO 0.00 0.22 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.40 3igc s VAL 143 N 0.35 3.74 0.00 3.82 1.01 -0.32 -3.14 120.40 125.86 3igc s VAL 143 Ca 0.52 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3igc s VAL 143 Cb -0.28 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.53 3igc s VAL 143 CO 0.32 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3igc n GLY 144 N 2.73 5.88 0.05 4.51 0.00 -1.26 -4.07 105.19 113.03 3igc n GLY 144 Ca -0.18 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 3igc n GLY 144 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3igc h LEU 145 N 0.00 0.02 -1.60 0.99 5.85 -0.83 -2.20 115.31 117.53 3igc h LEU 145 Ca 0.00 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3igc h LEU 145 Cb 0.00 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3igc h LEU 145 CO 0.00 0.15 -0.17 0.25 -0.34 0.00 0.00 178.44 178.33 3igc h LEU 146 N -0.12 0.00 -2.82 2.25 6.46 -1.15 -2.76 115.31 117.17 3igc h LEU 146 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3igc h LEU 146 Cb 0.14 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3igc h LEU 146 CO -0.00 0.17 0.00 0.35 -0.62 0.00 0.00 178.44 178.34 3igc n THR 147 N -3.57 1.10 -1.78 1.05 -2.24 -0.90 -4.71 114.28 103.23 3igc n THR 147 Ca -0.01 -1.03 -0.40 0.00 -2.27 0.00 0.00 64.05 60.34 3igc n THR 147 Cb 0.32 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3igc n THR 147 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3igc s LEU 148 N -1.11 4.21 0.36 3.22 1.02 -0.88 -4.74 118.68 120.77 3igc s LEU 148 Ca 0.47 3.01 0.09 0.00 0.02 0.00 0.00 54.13 57.71 3igc s LEU 148 Cb 0.25 -3.80 -0.07 0.00 0.02 0.00 0.00 46.19 42.59 3igc s LEU 148 CO 0.30 -1.05 -0.06 -0.54 0.02 0.00 0.00 176.35 175.03 3igc s LYS 149 N -2.29 1.85 0.41 1.70 1.02 -1.26 -1.37 119.74 119.79 3igc s LYS 149 Ca 0.57 -1.98 0.07 0.00 0.02 0.00 0.00 55.97 54.65 3igc s LYS 149 Cb -0.46 -1.66 0.84 0.00 -0.52 0.00 0.00 37.83 36.04 3igc s LYS 149 CO 0.60 0.08 2.05 -0.91 -0.92 0.00 0.00 175.35 176.25 3igc h ASN 150 N 1.96 0.47 -0.79 2.83 2.35 -1.35 -1.09 115.58 119.96 3igc h ASN 150 Ca -0.42 -0.02 0.21 0.00 -0.55 0.00 0.00 56.30 55.51 3igc h ASN 150 Cb 1.25 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 3igc h ASN 150 CO 0.73 0.36 0.55 0.07 -1.65 0.00 0.00 177.43 177.49 3igc h LYS 151 N 0.56 0.15 0.00 0.81 2.10 -1.46 -1.19 116.57 117.54 3igc h LYS 151 Ca 0.15 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 3igc h LYS 151 Cb -0.04 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3igc h LYS 151 CO -0.03 0.10 0.00 0.72 -2.00 0.00 0.00 179.45 178.24 3igc n HIS 152 N -4.39 0.00 -3.79 0.07 8.25 -0.41 -4.67 115.22 110.28 3igc n HIS 152 Ca 0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.25 3igc n HIS 152 Cb 0.76 -0.44 -0.13 0.00 1.12 0.00 0.00 29.99 31.30 3igc n HIS 152 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3igc s ILE 153 N -2.88 3.72 -0.23 1.59 -1.09 -0.45 -0.98 121.20 120.88 3igc s ILE 153 Ca 0.17 -0.88 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 3igc s ILE 153 Cb 0.18 -2.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 3igc s ILE 153 CO 0.47 0.02 0.01 -1.61 -1.23 0.00 0.00 174.94 172.60 3igc s GLU 154 N 1.44 3.50 -0.23 2.79 0.41 0.30 -4.96 118.70 121.94 3igc s GLU 154 Ca 0.01 -0.56 -0.10 0.00 -0.41 0.00 0.00 54.97 53.91 3igc s GLU 154 Cb -0.18 -3.15 -0.05 0.00 -1.78 0.00 0.00 34.13 28.98 3igc s GLU 154 CO 0.01 -0.19 0.15 0.42 -0.49 0.00 0.00 175.26 175.16 3igc s ILE 155 N 1.53 5.29 0.27 -1.63 1.01 -1.26 -1.23 121.20 125.18 3igc s ILE 155 Ca 0.06 0.15 0.11 0.00 0.00 0.00 0.00 60.65 60.98 3igc s ILE 155 Cb -0.15 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3igc s ILE 155 CO -0.00 0.36 -0.19 -0.44 0.00 0.00 0.00 174.94 174.67 3igc s SER 156 N 0.96 3.42 0.38 3.58 0.01 0.50 -5.03 113.70 117.52 3igc s SER 156 Ca 0.07 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.36 3igc s SER 156 Cb -0.13 -0.27 0.74 0.00 0.21 0.00 0.00 66.02 66.57 3igc s SER 156 CO 0.04 -0.00 1.97 1.55 0.41 0.00 0.00 173.24 177.20 3igc h PRO 157 N 2.31 0.52 0.14 12.44 0.13 -2.04 -2.98 132.00 142.52 3igc h PRO 157 Ca -0.40 -0.07 -0.31 0.00 -0.87 0.00 0.00 66.00 64.35 3igc h PRO 157 Cb 1.25 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3igc h PRO 157 CO 0.61 0.44 -1.53 0.38 -0.23 0.00 0.00 178.00 177.67 3igc h ASP 158 N 0.51 0.46 -5.52 1.44 -0.00 -1.99 -3.49 116.42 107.85 3igc h ASP 158 Ca 0.13 -0.62 -0.21 0.00 -0.00 0.00 0.00 57.03 56.33 3igc h ASP 158 Cb 0.13 -0.15 -0.14 0.00 -0.00 0.00 0.00 39.33 39.17 3igc h ASP 158 CO -0.01 1.51 -0.55 -1.59 -0.00 0.00 0.00 179.24 178.60 3igc s LYS 159 N -2.61 1.21 -0.09 4.15 -2.85 -1.13 -2.26 119.74 116.17 3igc s LYS 159 Ca -0.09 -1.55 0.04 0.00 -1.00 0.00 0.00 55.97 53.36 3igc s LYS 159 Cb 0.06 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.13 3igc s LYS 159 CO 0.86 -0.41 -0.21 0.42 0.10 0.00 0.00 175.35 176.12 3igc s ILE 160 N -4.13 1.78 -0.18 3.79 1.01 0.01 -0.37 121.20 123.11 3igc s ILE 160 Ca 0.35 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 60.12 3igc s ILE 160 Cb 0.06 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.97 3igc s ILE 160 CO 0.10 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.74 3igc s VAL 161 N 0.43 2.95 -0.36 2.92 1.01 -0.37 0.05 120.40 127.03 3igc s VAL 161 Ca -0.18 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 3igc s VAL 161 Cb -0.17 -2.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 3igc s VAL 161 CO 0.07 0.48 0.47 -0.63 0.00 0.00 0.00 175.10 175.50 3igc s ILE 162 N 1.05 5.05 -0.04 2.22 1.01 0.39 -0.54 121.20 130.35 3igc s ILE 162 Ca -0.00 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3igc s ILE 162 Cb -0.15 -3.95 0.01 0.00 0.01 0.00 0.00 42.46 38.39 3igc s ILE 162 CO -0.02 -0.23 -0.06 -1.59 0.00 0.00 0.00 174.94 173.04 3igc s LYS 163 N 2.29 0.86 0.16 2.79 -2.85 -0.15 -0.62 119.74 122.22 3igc s LYS 163 Ca 0.16 -0.17 -0.23 0.00 -1.00 0.00 0.00 55.97 54.73 3igc s LYS 163 Cb -0.16 -0.83 0.07 0.00 -2.06 0.00 0.00 37.83 34.85 3igc s LYS 163 CO 0.13 -0.01 0.62 -0.59 0.10 0.00 0.00 175.35 175.60 3igc s PHE 164 N 0.63 -0.51 -0.32 1.78 -0.71 -0.60 -4.55 117.98 113.70 3igc s PHE 164 Ca -0.09 0.29 -0.11 0.00 -1.04 0.00 0.00 56.93 55.98 3igc s PHE 164 Cb -0.12 0.57 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 3igc s PHE 164 CO 0.01 -0.87 0.19 0.08 -1.34 0.00 0.00 175.22 173.29 3igc s VAL 165 N -3.74 4.97 0.00 -2.49 1.01 -1.26 -0.42 120.40 118.47 3igc s VAL 165 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3igc s VAL 165 Cb -0.01 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3igc s VAL 165 CO -0.12 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3igc n GLY 166 N 5.04 3.21 3.65 4.51 0.00 -0.13 -1.17 105.19 120.31 3igc n GLY 166 Ca -0.13 -1.96 -0.44 0.00 0.00 0.00 0.00 46.02 43.49 3igc n GLY 166 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3igc n LYS 167 N 0.00 1.80 -2.20 1.61 4.81 -1.26 -1.73 118.16 121.20 3igc n LYS 167 Ca 0.00 0.63 -0.18 0.00 -0.87 0.00 0.00 58.31 57.90 3igc n LYS 167 Cb 0.00 -2.15 -0.02 0.00 0.02 0.00 0.00 35.03 32.88 3igc n LYS 167 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3igc n ASP 168 N 1.20 -5.20 -1.64 3.14 10.43 -1.26 -2.56 116.55 120.66 3igc n ASP 168 Ca 0.08 0.06 -0.20 0.00 2.57 0.00 0.00 54.79 57.30 3igc n ASP 168 Cb 0.33 -4.27 -0.07 0.00 1.84 0.00 0.00 41.12 38.95 3igc n ASP 168 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3igc n LYS 169 N -2.67 -1.40 -2.79 -1.24 4.76 -0.70 -4.95 118.16 109.16 3igc n LYS 169 Ca -0.21 1.14 -0.42 0.00 -2.87 0.00 0.00 58.31 55.96 3igc n LYS 169 Cb 0.65 -5.52 -0.03 0.00 -1.84 0.00 0.00 35.03 28.28 3igc n LYS 169 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3igc s VAL 170 N -2.77 4.78 0.22 -0.18 1.01 -1.06 -4.82 120.40 117.57 3igc s VAL 170 Ca 0.00 1.78 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 3igc s VAL 170 Cb 0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 3igc s VAL 170 CO 0.00 -0.10 1.04 -0.55 0.00 0.00 0.00 175.10 175.49 3igc s SER 171 N 1.25 7.40 -0.01 3.32 0.15 -1.26 -0.95 113.70 123.60 3igc s SER 171 Ca 0.40 2.07 0.04 0.00 0.70 0.00 0.00 55.95 59.16 3igc s SER 171 Cb -0.15 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 3igc s SER 171 CO 0.08 -0.07 -0.14 -1.00 1.20 0.00 0.00 173.24 173.31 3igc s HIS 172 N -0.76 1.23 -0.09 3.44 3.76 0.44 -4.94 115.29 118.38 3igc s HIS 172 Ca 0.45 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 3igc s HIS 172 Cb -0.29 -0.79 0.03 0.00 1.11 0.00 0.00 32.58 32.64 3igc s HIS 172 CO 0.35 -0.02 -0.04 -2.00 -0.85 0.00 0.00 174.74 172.18 3igc s GLU 173 N -0.32 1.09 -0.08 1.40 2.12 -1.26 -1.56 118.70 120.10 3igc s GLU 173 Ca 0.05 -0.10 0.05 0.00 0.36 0.00 0.00 54.97 55.34 3igc s GLU 173 Cb -0.05 -1.26 -0.01 0.00 0.26 0.00 0.00 34.13 33.07 3igc s GLU 173 CO -0.01 -0.25 -0.24 -0.06 -0.54 0.00 0.00 175.26 174.16 3igc s PHE 174 N 1.71 2.50 -0.14 5.30 0.08 0.20 -4.97 117.98 122.66 3igc s PHE 174 Ca 0.03 -0.86 -0.04 0.00 0.12 0.00 0.00 56.93 56.18 3igc s PHE 174 Cb -0.13 -1.65 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3igc s PHE 174 CO -0.06 -0.30 -0.01 0.54 -0.10 0.00 0.00 175.22 175.29 3igc s VAL 175 N 0.06 4.17 -0.33 -0.44 0.11 -1.26 -0.46 120.40 122.25 3igc s VAL 175 Ca -0.10 -0.27 -0.00 0.00 -2.93 0.00 0.00 61.98 58.67 3igc s VAL 175 Cb -0.16 -2.82 0.08 0.00 -1.53 0.00 0.00 36.38 31.95 3igc s VAL 175 CO 0.06 0.52 0.05 -0.69 -3.33 0.00 0.00 175.10 171.71 3igc s VAL 176 N 0.03 2.82 0.69 2.04 1.01 0.11 -5.00 120.40 122.10 3igc s VAL 176 Ca 0.02 -1.79 -0.11 0.00 0.00 0.00 0.00 61.98 60.09 3igc s VAL 176 Cb -0.13 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3igc s VAL 176 CO 0.02 -0.36 1.08 -1.00 0.00 0.00 0.00 175.10 174.85 3igc s HIS 177 N 1.13 3.38 0.43 5.22 3.76 -1.26 -0.81 115.29 127.14 3igc s HIS 177 Ca 0.01 1.10 0.20 0.00 -0.15 0.00 0.00 55.06 56.22 3igc s HIS 177 Cb -0.20 -2.99 1.14 0.00 1.11 0.00 0.00 32.58 31.63 3igc s HIS 177 CO -0.04 -1.08 1.83 -0.22 -0.85 0.00 0.00 174.74 174.38 3igc h LYS 178 N -0.58 0.35 -0.00 1.40 1.63 -1.83 -1.29 116.57 116.24 3igc h LYS 178 Ca -0.45 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 3igc h LYS 178 Cb 1.24 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3igc h LYS 178 CO 0.63 0.23 -0.04 -1.13 -3.45 0.00 0.00 179.45 175.69 3igc n SER 179 N -4.51 0.13 -4.75 4.20 3.41 -1.26 -4.82 113.62 106.02 3igc n SER 179 Ca 0.21 -0.23 -0.40 0.00 -0.26 0.00 0.00 58.87 58.19 3igc n SER 179 Cb 0.79 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.47 3igc n SER 179 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3igc s ASN 180 N -2.57 7.47 0.36 4.04 3.84 -0.49 -4.94 114.94 122.65 3igc s ASN 180 Ca 0.28 2.04 0.18 0.00 0.21 0.00 0.00 52.86 55.56 3igc s ASN 180 Cb 0.20 -2.61 1.22 0.00 -0.55 0.00 0.00 41.25 39.51 3igc s ASN 180 CO 0.47 -0.01 1.62 -0.09 -2.79 0.00 0.00 177.10 176.31 3igc h ARG 181 N 4.40 0.16 0.00 0.43 2.43 -1.88 -1.94 114.38 117.97 3igc h ARG 181 Ca -0.45 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.60 3igc h ARG 181 Cb 1.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3igc h ARG 181 CO 0.69 0.10 -0.54 1.25 -1.51 0.00 0.00 179.97 179.97 3igc h LEU 182 N 0.16 0.00 -0.05 3.80 6.46 -1.92 -3.38 115.31 120.39 3igc h LEU 182 Ca 0.79 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 58.59 3igc h LEU 182 Cb 1.97 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.86 3igc h LEU 182 CO -0.69 0.54 -0.18 0.22 -0.62 0.00 0.00 178.44 177.71 3igc h TYR 183 N 0.00 -0.46 0.08 1.25 5.03 -1.59 -1.76 116.97 119.53 3igc h TYR 183 Ca -0.01 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 3igc h TYR 183 Cb 1.27 0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.77 3igc h TYR 183 CO 0.00 -0.25 -0.04 0.87 -1.32 0.00 0.00 178.16 177.42 3igc h LYS 184 N -0.26 -0.11 -0.02 1.82 1.57 -1.76 -1.25 116.57 116.56 3igc h LYS 184 Ca 0.07 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3igc h LYS 184 Cb 0.36 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3igc h LYS 184 CO -0.20 0.13 -0.38 -1.00 -0.57 0.00 0.00 179.45 177.43 3igc h PRO 185 N -0.33 0.04 -0.13 3.15 0.13 -1.77 -0.25 132.00 132.84 3igc h PRO 185 Ca -0.01 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3igc h PRO 185 Cb 0.29 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.41 3igc h PRO 185 CO 0.02 0.42 -0.04 1.25 -0.23 0.00 0.00 178.00 179.42 3igc h LEU 186 N 0.04 0.27 -0.56 1.56 5.85 -1.30 0.74 115.31 121.90 3igc h LEU 186 Ca 0.00 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.42 3igc h LEU 186 Cb 0.69 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3igc h LEU 186 CO 0.05 0.58 0.22 0.25 -0.34 0.00 0.00 178.44 179.21 3igc h LEU 187 N -0.06 0.24 -0.55 2.25 5.85 -1.02 -1.15 115.31 120.88 3igc h LEU 187 Ca 0.03 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3igc h LEU 187 Cb 0.47 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3igc h LEU 187 CO 0.01 0.16 0.35 0.50 -0.34 0.00 0.00 178.44 179.12 3igc h LYS 188 N 0.42 0.68 -0.24 1.25 3.64 -0.93 -3.23 116.57 118.15 3igc h LYS 188 Ca 0.27 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3igc h LYS 188 Cb 0.30 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3igc h LYS 188 CO -0.26 0.45 -0.04 1.25 -2.27 0.00 0.00 179.45 178.57 3igc h LEU 189 N 0.70 0.46 -9.91 5.20 5.85 -0.28 -3.45 115.31 113.87 3igc h LEU 189 Ca 0.21 -0.35 -0.54 0.00 0.84 0.00 0.00 57.88 58.04 3igc h LEU 189 Cb -0.03 -0.12 0.10 0.00 0.37 0.00 0.00 40.66 40.98 3igc h LEU 189 CO -0.07 0.70 0.80 0.41 -0.34 0.00 0.00 178.44 179.94 3igc n THR 190 N -4.58 1.80 -3.78 1.05 -1.04 -0.49 -4.99 114.28 102.25 3igc n THR 190 Ca -0.04 -0.45 -0.36 0.00 -2.04 0.00 0.00 64.05 61.17 3igc n THR 190 Cb 0.28 -1.98 -0.11 0.00 -1.82 0.00 0.00 70.33 66.70 3igc n THR 190 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3igc s ASP 191 N 0.00 5.19 0.31 8.00 2.15 -1.26 -4.97 116.67 126.09 3igc s ASP 191 Ca 0.55 -2.29 0.06 0.00 0.43 0.00 0.00 52.55 51.30 3igc s ASP 191 Cb -0.48 -1.82 0.74 0.00 -0.30 0.00 0.00 42.92 41.06 3igc s ASP 191 CO 0.61 -0.48 1.79 0.44 -0.17 0.00 0.00 175.17 177.36 3igc h ASP 192 N 7.70 0.78 0.51 -0.34 3.32 -1.94 -1.98 116.42 124.48 3igc h ASP 192 Ca -0.09 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3igc h ASP 192 Cb 1.01 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3igc h ASP 192 CO 0.69 0.31 0.00 -1.54 -1.72 0.00 0.00 179.24 176.98 3igc n SER 193 N -4.72 0.00 -3.33 6.45 3.41 -1.26 -4.08 113.62 110.10 3igc n SER 193 Ca 0.22 0.46 -0.26 0.00 -0.26 0.00 0.00 58.87 59.03 3igc n SER 193 Cb 0.54 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 3igc n SER 193 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3igc n SER 194 N -1.48 2.77 -0.20 4.04 7.64 -0.74 -4.96 113.62 120.69 3igc n SER 194 Ca 0.04 -3.25 0.13 0.00 1.01 0.00 0.00 58.87 56.80 3igc n SER 194 Cb 0.18 -0.65 0.44 0.00 -1.01 0.00 0.00 64.21 63.16 3igc n SER 194 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3igc h PRO 195 N 4.03 0.54 -0.01 1.43 0.13 -1.76 -1.68 132.00 134.68 3igc h PRO 195 Ca 0.16 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3igc h PRO 195 Cb 0.72 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3igc h PRO 195 CO 0.73 0.36 -0.07 0.39 -0.23 0.00 0.00 178.00 179.18 3igc n GLU 196 N -4.51 1.12 -3.18 0.86 -0.58 -1.26 -1.32 120.64 111.78 3igc n GLU 196 Ca 0.15 -0.49 -0.32 0.00 -0.42 0.00 0.00 57.16 56.07 3igc n GLU 196 Cb 0.46 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 3igc n GLU 196 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3igc s GLU 197 N -2.22 3.96 0.30 3.49 0.41 -0.63 -4.91 118.70 119.11 3igc s GLU 197 Ca 0.35 0.60 -0.29 0.00 -0.41 0.00 0.00 54.97 55.22 3igc s GLU 197 Cb 0.21 -2.46 -0.10 0.00 -1.78 0.00 0.00 34.13 29.99 3igc s GLU 197 CO 0.41 0.18 1.40 -0.06 -0.49 0.00 0.00 175.26 176.69 3igc s PHE 198 N -1.97 2.96 0.11 1.61 0.08 -1.26 -2.00 117.98 117.50 3igc s PHE 198 Ca 0.53 1.20 -0.29 0.00 0.12 0.00 0.00 56.93 58.49 3igc s PHE 198 Cb -0.10 -3.80 -0.10 0.00 -0.57 0.00 0.00 43.02 38.44 3igc s PHE 198 CO 0.18 -2.41 1.62 1.25 -0.10 0.00 0.00 175.22 175.77 3igc h LEU 199 N 4.04 -0.89 -5.87 -0.37 5.85 -1.50 -3.15 115.31 113.42 3igc h LEU 199 Ca -0.48 0.09 -0.74 0.00 0.84 0.00 0.00 57.88 57.60 3igc h LEU 199 Cb 1.22 0.32 -0.11 0.00 0.37 0.00 0.00 40.66 42.47 3igc h LEU 199 CO 0.71 -0.42 2.52 0.49 -0.34 0.00 0.00 178.44 181.39 3igc n PHE 200 N -5.42 2.75 0.78 1.25 3.72 -1.26 -4.76 117.46 114.51 3igc n PHE 200 Ca -0.08 -2.86 0.09 0.00 -0.05 0.00 0.00 57.45 54.56 3igc n PHE 200 Cb 0.33 -2.01 0.44 0.00 -0.94 0.00 0.00 39.48 37.30 3igc n PHE 200 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3igc n ASN 201 N 3.03 0.00 -0.75 4.37 6.94 -1.19 -1.77 115.26 125.88 3igc n ASN 201 Ca 0.56 0.26 0.08 0.00 -0.02 0.00 0.00 54.58 55.45 3igc n ASN 201 Cb 0.30 -0.40 0.14 0.00 -2.36 0.00 0.00 39.78 37.46 3igc n ASN 201 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3igc n LYS 202 N -1.40 2.05 -3.11 -3.83 4.76 -1.26 -5.00 118.16 110.37 3igc n LYS 202 Ca 0.07 -1.87 -0.18 0.00 -2.87 0.00 0.00 58.31 53.46 3igc n LYS 202 Cb 0.19 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3igc n LYS 202 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3igc s LEU 203 N -1.12 3.65 0.31 -0.35 1.43 -0.73 -4.84 118.68 117.04 3igc s LEU 203 Ca 0.25 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 3igc s LEU 203 Cb 0.15 -2.59 0.02 0.00 0.03 0.00 0.00 46.19 43.79 3igc s LEU 203 CO 0.20 -0.72 0.63 -0.94 0.23 0.00 0.00 176.35 175.75 3igc s SER 204 N -4.31 0.06 0.13 2.29 1.04 -1.26 -5.00 113.70 106.66 3igc s SER 204 Ca 0.53 -1.00 -0.18 0.00 0.48 0.00 0.00 55.95 55.78 3igc s SER 204 Cb -0.09 0.71 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 3igc s SER 204 CO 0.32 -1.37 1.77 -0.33 0.98 0.00 0.00 173.24 174.61 3igc h GLU 205 N 2.09 0.29 -0.75 4.02 5.08 -1.99 -1.37 114.58 121.95 3igc h GLU 205 Ca -0.26 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3igc h GLU 205 Cb 1.25 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 3igc h GLU 205 CO 0.34 0.19 0.41 -0.09 -1.00 0.00 0.00 179.01 178.86 3igc h ARG 206 N 0.29 0.68 -0.20 2.33 2.43 -1.98 0.81 114.38 118.75 3igc h ARG 206 Ca 0.11 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.03 3igc h ARG 206 Cb 0.01 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3igc h ARG 206 CO -0.06 0.45 -0.66 0.87 -1.51 0.00 0.00 179.97 179.06 3igc h LYS 207 N 0.70 0.79 -0.06 0.20 1.57 -1.87 0.46 116.57 118.37 3igc h LYS 207 Ca 0.36 -0.59 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3igc h LYS 207 Cb 0.33 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 3igc h LYS 207 CO -0.24 1.21 0.03 0.28 -0.57 0.00 0.00 179.45 180.16 3igc h VAL 208 N 0.53 1.07 -0.96 0.50 2.07 -0.80 -2.05 116.25 116.62 3igc h VAL 208 Ca -0.03 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.36 3igc h VAL 208 Cb 1.28 1.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.08 3igc h VAL 208 CO 0.14 0.06 0.63 1.88 0.02 0.00 0.00 177.57 180.29 3igc h TYR 209 N 0.02 1.14 -0.20 1.57 0.99 -0.63 -0.47 116.97 119.38 3igc h TYR 209 Ca 0.02 0.03 -0.14 0.00 2.00 0.00 0.00 58.73 60.64 3igc h TYR 209 Cb 0.07 -0.37 -0.01 0.00 1.00 0.00 0.00 36.73 37.42 3igc h TYR 209 CO -0.05 0.59 -0.46 0.93 -0.00 0.00 0.00 178.16 179.17 3igc h GLU 210 N 1.12 0.52 0.01 4.88 4.39 -0.70 -2.54 114.58 122.25 3igc h GLU 210 Ca 0.42 -0.28 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 3igc h GLU 210 Cb 0.18 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3igc h GLU 210 CO -0.16 0.87 -0.48 1.03 -1.16 0.00 0.00 179.01 179.11 3igc h SER 211 N 0.42 0.41 -0.15 1.42 0.87 -0.88 -3.26 113.55 112.37 3igc h SER 211 Ca 0.03 -0.78 -0.01 0.00 -1.23 0.00 0.00 61.79 59.80 3igc h SER 211 Cb 0.96 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3igc h SER 211 CO 0.09 1.14 0.08 -0.29 -0.53 0.00 0.00 176.83 177.32 3igc h ILE 212 N -0.28 1.07 -1.09 2.23 6.09 -1.14 -3.00 117.51 121.40 3igc h ILE 212 Ca -0.06 -0.22 0.30 0.00 -1.37 0.00 0.00 64.86 63.51 3igc h ILE 212 Cb 1.22 0.85 -0.09 0.00 0.47 0.00 0.00 36.82 39.27 3igc h ILE 212 CO 0.09 0.08 0.72 0.50 -3.07 0.00 0.00 178.15 176.48 3igc h LYS 213 N 0.25 0.28 0.00 2.19 3.64 -1.49 -1.01 116.57 120.44 3igc h LYS 213 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3igc h LYS 213 Cb 0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3igc h LYS 213 CO -0.01 0.18 0.00 -0.56 -2.27 0.00 0.00 179.45 176.79 3igc h GLN 214 N 0.29 0.00 -0.03 1.90 3.07 -1.70 -2.08 115.11 116.56 3igc h GLN 214 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.35 3igc h GLN 214 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.31 3igc h GLN 214 CO -0.25 0.00 -0.03 1.19 0.09 0.00 0.00 178.83 179.83 3igc n PHE 215 N -3.05 0.00 -1.19 0.06 3.72 -0.38 -4.98 117.46 111.63 3igc n PHE 215 Ca -0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3igc n PHE 215 Cb 0.24 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 3igc n PHE 215 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3igc n GLY 216 N 1.31 0.89 3.31 1.37 0.00 -0.78 -4.96 105.19 106.32 3igc n GLY 216 Ca 0.15 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 3igc n GLY 216 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3igc s ILE 217 N -2.21 0.35 0.31 -0.61 -4.36 -1.26 -5.09 121.20 108.33 3igc s ILE 217 Ca 0.00 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3igc s ILE 217 Cb 0.00 -2.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 3igc s ILE 217 CO 0.00 0.00 0.15 -0.13 0.24 0.00 0.00 174.94 175.20 3igc s ARG 218 N -3.94 2.53 0.26 0.37 3.00 -1.26 -4.41 118.95 115.50 3igc s ARG 218 Ca 0.37 -1.37 -0.05 0.00 0.00 0.00 0.00 55.73 54.68 3igc s ARG 218 Cb 0.06 -2.31 0.32 0.00 0.00 0.00 0.00 34.95 33.02 3igc s ARG 218 CO 0.16 0.22 1.93 0.82 0.00 0.00 0.00 175.30 178.42 3igc h ILE 219 N 1.55 1.22 0.00 1.52 1.08 -1.97 0.21 117.51 121.12 3igc h ILE 219 Ca -0.45 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3igc h ILE 219 Cb 1.25 -0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3igc h ILE 219 CO 0.61 0.24 -0.02 0.07 -0.69 0.00 0.00 178.15 178.36 3igc h LYS 220 N 1.29 0.00 0.00 2.37 2.10 -1.96 -1.20 116.57 119.17 3igc h LYS 220 Ca 0.37 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.95 3igc h LYS 220 Cb -0.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.23 3igc h LYS 220 CO -0.10 0.02 -0.36 -0.44 -2.00 0.00 0.00 179.45 176.58 3igc h ASP 221 N 0.00 0.00 -0.14 7.07 3.32 -1.35 -1.93 116.42 123.39 3igc h ASP 221 Ca -0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3igc h ASP 221 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3igc h ASP 221 CO 0.00 0.36 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.66 3igc h LEU 222 N 0.00 0.51 0.05 1.55 3.38 -1.24 -0.42 115.31 119.14 3igc h LEU 222 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3igc h LEU 222 Cb 0.67 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3igc h LEU 222 CO 0.05 0.68 -0.02 -0.09 0.09 0.00 0.00 178.44 179.15 3igc h ARG 223 N 0.48 -0.07 -0.62 1.13 2.43 -1.45 -0.97 114.38 115.31 3igc h ARG 223 Ca 0.08 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 3igc h ARG 223 Cb 0.54 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.02 3igc h ARG 223 CO 0.03 0.29 0.18 1.15 -1.51 0.00 0.00 179.97 180.12 3igc h THR 224 N -0.43 0.68 -0.25 0.20 2.02 -1.27 -1.55 112.91 112.31 3igc h THR 224 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 3igc h THR 224 Cb 0.39 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3igc h THR 224 CO 0.01 0.06 0.13 0.22 0.37 0.00 0.00 175.52 176.32 3igc h TYR 225 N 0.33 0.35 -0.78 3.16 3.20 -1.05 -2.95 116.97 119.22 3igc h TYR 225 Ca 0.32 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 3igc h TYR 225 Cb 0.46 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3igc h TYR 225 CO -0.21 0.31 0.39 0.78 -1.64 0.00 0.00 178.16 177.79 3igc h GLY 226 N 0.29 1.19 0.88 1.82 0.00 -0.49 0.11 103.07 106.87 3igc h GLY 226 Ca 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3igc h GLY 226 CO -0.01 0.54 -0.10 -2.08 0.00 0.00 0.00 176.54 174.89 3igc h VAL 227 N 1.11 0.77 -0.08 4.60 2.07 -1.29 0.17 116.25 123.61 3igc h VAL 227 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 3igc h VAL 227 Cb 0.09 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3igc h VAL 227 CO -0.04 0.00 0.04 0.78 0.02 0.00 0.00 177.57 178.37 3igc h ASN 228 N -0.23 0.10 -0.42 0.57 2.35 -1.27 0.13 115.58 116.81 3igc h ASN 228 Ca 0.00 -0.13 0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3igc h ASN 228 Cb 0.22 -0.03 -0.08 0.00 0.05 0.00 0.00 38.32 38.48 3igc h ASN 228 CO -0.03 0.20 -0.09 0.22 -1.65 0.00 0.00 177.43 176.08 3igc h TYR 229 N -0.00 -0.20 -0.81 1.19 3.20 -0.73 -0.30 116.97 119.30 3igc h TYR 229 Ca 0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3igc h TYR 229 Cb 0.13 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 3igc h TYR 229 CO -0.03 -0.17 0.34 1.15 -1.64 0.00 0.00 178.16 177.81 3igc h THR 230 N 0.01 1.26 -0.20 1.81 2.02 -0.44 -1.16 112.91 116.22 3igc h THR 230 Ca 0.20 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3igc h THR 230 Cb 0.31 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3igc h THR 230 CO -0.43 0.33 0.10 0.15 0.37 0.00 0.00 175.52 176.05 3igc h PHE 231 N 1.18 0.19 -0.76 3.16 3.57 -0.31 -2.22 116.94 121.74 3igc h PHE 231 Ca 0.27 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 3igc h PHE 231 Cb 0.19 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3igc h PHE 231 CO 0.02 0.11 0.32 -0.07 -2.23 0.00 0.00 178.31 176.46 3igc h LEU 232 N 0.22 1.05 -0.23 0.59 3.38 -0.66 0.35 115.31 120.00 3igc h LEU 232 Ca 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3igc h LEU 232 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3igc h LEU 232 CO -0.05 0.93 0.12 0.22 0.09 0.00 0.00 178.44 179.74 3igc h TYR 233 N 1.10 0.33 -0.57 1.13 3.20 -1.04 -1.32 116.97 119.80 3igc h TYR 233 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3igc h TYR 233 Cb 0.20 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3igc h TYR 233 CO 0.02 0.31 0.26 -0.91 -1.64 0.00 0.00 178.16 176.20 3igc h ASN 234 N 0.25 0.75 0.15 -2.11 -0.26 -1.04 0.44 115.58 113.76 3igc h ASN 234 Ca 0.08 -0.14 0.01 0.00 -0.56 0.00 0.00 56.30 55.69 3igc h ASN 234 Cb 0.10 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 3igc h ASN 234 CO -0.01 0.69 -0.17 0.15 -1.06 0.00 0.00 177.43 177.02 3igc h PHE 235 N 0.77 -0.45 -0.11 1.19 3.57 -0.10 0.31 116.94 122.11 3igc h PHE 235 Ca 0.19 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3igc h PHE 235 Cb 0.14 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3igc h PHE 235 CO 0.00 -0.26 -0.25 2.35 -2.23 0.00 0.00 178.31 177.92 3igc h TRP 236 N -0.36 -0.67 -0.40 0.41 7.01 -1.19 0.12 115.95 120.87 3igc h TRP 236 Ca 0.01 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.06 3igc h TRP 236 Cb 0.36 0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 3igc h TRP 236 CO -0.15 -0.33 0.23 1.15 -2.79 0.00 0.00 178.44 176.55 3igc h THR 237 N -0.33 1.04 -0.03 2.65 2.02 -0.76 -0.65 112.91 116.85 3igc h THR 237 Ca 0.10 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.13 3igc h THR 237 Cb 0.47 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3igc h THR 237 CO -0.30 0.09 -0.05 0.78 0.37 0.00 0.00 175.52 176.41 3igc h ASN 238 N 0.48 -0.14 -0.95 4.18 2.35 -0.03 0.23 115.58 121.70 3igc h ASN 238 Ca 0.16 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 3igc h ASN 238 Cb 0.00 0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.37 3igc h ASN 238 CO -0.07 -0.07 0.60 0.58 -1.65 0.00 0.00 177.43 176.82 3igc h VAL 239 N -0.07 1.05 0.00 2.81 2.07 -0.57 -1.97 116.25 119.57 3igc h VAL 239 Ca 0.03 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3igc h VAL 239 Cb 0.11 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 3igc h VAL 239 CO -0.07 0.20 -0.34 0.11 0.02 0.00 0.00 177.57 177.49 3igc h LYS 240 N 1.08 0.00 0.00 1.57 1.79 -0.66 -3.41 116.57 116.93 3igc h LYS 240 Ca 0.42 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.58 3igc h LYS 240 Cb 0.20 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.80 3igc h LYS 240 CO -0.18 0.34 -2.06 -1.13 -1.08 0.00 0.00 179.45 175.33 3igc n SER 241 N -3.33 1.86 -4.64 0.86 3.41 0.77 -4.99 113.62 107.56 3igc n SER 241 Ca 0.01 0.10 -0.43 0.00 -0.26 0.00 0.00 58.87 58.29 3igc n SER 241 Cb 0.56 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 3igc n SER 241 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3igc s ILE 242 N -2.36 4.52 0.00 -1.33 -4.36 -1.11 -4.97 121.20 111.59 3igc s ILE 242 Ca -0.26 1.69 0.00 0.00 -0.26 0.00 0.00 60.65 61.82 3igc s ILE 242 Cb 0.09 -4.41 0.00 0.00 1.25 0.00 0.00 42.46 39.39 3igc s ILE 242 CO 0.37 -0.48 0.93 -0.24 0.24 0.00 0.00 174.94 175.76 3igc n SER 243 N 6.86 0.00 -4.68 4.36 2.88 -1.26 -3.59 113.62 118.19 3igc n SER 243 Ca 0.12 0.93 -0.42 0.00 -1.33 0.00 0.00 58.87 58.17 3igc n SER 243 Cb 0.47 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 3igc n SER 243 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3igc s PRO 244 N -2.71 4.33 0.08 -1.46 0.02 -1.26 -4.98 135.00 129.02 3igc s PRO 244 Ca 0.00 1.15 -0.31 0.00 0.02 0.00 0.00 61.00 61.86 3igc s PRO 244 Cb 0.00 -3.57 -0.09 0.00 0.02 0.00 0.00 34.50 30.87 3igc s PRO 244 CO 0.00 -0.34 1.72 -0.51 -0.33 0.00 0.00 177.00 177.54 3igc s LEU 245 N 2.16 4.38 0.99 -5.54 1.43 -1.24 -5.00 118.68 115.86 3igc s LEU 245 Ca 0.42 2.56 -0.14 0.00 -1.03 0.00 0.00 54.13 55.94 3igc s LEU 245 Cb -0.17 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.53 3igc s LEU 245 CO 0.14 -0.93 0.27 -2.65 0.23 0.00 0.00 176.35 173.40 3igc n PRO 246 N 5.78 -0.55 -1.30 1.29 -0.02 -1.26 -4.99 135.00 133.95 3igc n PRO 246 Ca 0.17 -0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.18 3igc n PRO 246 Cb 0.40 -1.79 0.11 0.00 -0.02 0.00 0.00 33.50 32.20 3igc n PRO 246 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3igc s SER 247 N -1.94 4.00 0.06 2.55 1.04 -1.26 -4.75 113.70 113.39 3igc s SER 247 Ca 0.56 2.30 -0.11 0.00 0.48 0.00 0.00 55.95 59.18 3igc s SER 247 Cb -0.19 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.33 3igc s SER 247 CO 0.68 -2.39 1.14 -2.65 0.98 0.00 0.00 173.24 170.99 3igc n PRO 248 N -3.02 -0.15 -0.28 4.02 -0.02 -1.26 -0.77 135.00 133.52 3igc n PRO 248 Ca 0.13 1.13 -0.00 0.00 -2.02 0.00 0.00 63.50 62.73 3igc n PRO 248 Cb 0.51 -1.67 0.06 0.00 -0.02 0.00 0.00 33.50 32.37 3igc n PRO 248 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3igc h LYS 249 N 0.00 -0.05 -0.74 -0.52 1.57 -1.97 -0.44 116.57 114.42 3igc h LYS 249 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3igc h LYS 249 Cb 0.14 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 3igc h LYS 249 CO -0.33 -0.03 0.41 -0.22 -0.57 0.00 0.00 179.45 178.71 3igc h LYS 250 N -0.05 1.02 0.11 3.15 3.64 -1.58 -1.21 116.57 121.64 3igc h LYS 250 Ca 0.33 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3igc h LYS 250 Cb 0.58 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3igc h LYS 250 CO -0.82 0.74 -0.05 1.25 -2.27 0.00 0.00 179.45 178.30 3igc h LEU 251 N 1.02 -0.12 -0.18 5.20 5.85 0.36 0.25 115.31 127.70 3igc h LEU 251 Ca 0.26 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 58.64 3igc h LEU 251 Cb 0.02 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3igc h LEU 251 CO -0.04 0.36 -0.10 0.40 -0.34 0.00 0.00 178.44 178.71 3igc h ILE 252 N -0.64 0.69 -0.56 4.05 2.04 -1.04 0.46 117.51 122.51 3igc h ILE 252 Ca -0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3igc h ILE 252 Cb 0.50 0.69 -0.08 0.00 -0.74 0.00 0.00 36.82 37.19 3igc h ILE 252 CO 0.02 0.00 0.11 0.00 0.00 0.00 0.00 178.15 178.29 3igc h ALA 253 N 1.06 0.65 -0.58 1.87 0.00 -1.18 0.31 119.26 121.38 3igc h ALA 253 Ca 0.10 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3igc h ALA 253 Cb 0.24 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3igc h ALA 253 CO -0.23 -0.31 0.28 1.25 0.00 0.00 0.00 179.25 180.24 3igc h LEU 254 N 0.25 0.75 -0.45 0.00 5.85 -0.60 -1.30 115.31 119.81 3igc h LEU 254 Ca 0.29 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3igc h LEU 254 Cb 0.42 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3igc h LEU 254 CO -0.38 0.67 -0.10 0.74 -0.34 0.00 0.00 178.44 179.03 3igc h THR 255 N 0.78 1.27 -0.45 1.05 2.02 0.05 -1.19 112.91 116.44 3igc h THR 255 Ca 0.20 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 3igc h THR 255 Cb 0.11 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3igc h THR 255 CO -0.03 0.41 0.17 0.40 0.37 0.00 0.00 175.52 176.85 3igc h ILE 256 N 0.69 1.21 -0.82 3.11 1.08 -0.88 -0.32 117.51 121.59 3igc h ILE 256 Ca 0.11 -0.66 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 3igc h ILE 256 Cb 0.64 0.79 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3igc h ILE 256 CO 0.04 0.24 0.53 0.50 -0.69 0.00 0.00 178.15 178.78 3igc h LYS 257 N 0.59 1.04 -0.28 2.37 3.64 -0.95 0.13 116.57 123.11 3igc h LYS 257 Ca 0.15 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3igc h LYS 257 Cb 0.21 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3igc h LYS 257 CO -0.01 0.69 -0.06 1.96 -2.27 0.00 0.00 179.45 179.76 3igc h GLN 258 N 1.07 0.54 0.07 1.90 4.20 -0.88 -2.36 115.11 119.64 3igc h GLN 258 Ca 0.31 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3igc h GLN 258 Cb -0.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3igc h GLN 258 CO -0.08 0.73 -0.03 1.15 -0.67 0.00 0.00 178.83 179.93 3igc h THR 259 N 0.30 1.04 -0.68 -0.54 2.02 -0.60 -2.31 112.91 112.15 3igc h THR 259 Ca 0.07 -0.35 0.10 0.00 0.77 0.00 0.00 66.41 67.00 3igc h THR 259 Cb 0.53 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 3igc h THR 259 CO 0.03 0.09 0.45 0.00 0.37 0.00 0.00 175.52 176.45 3igc h ALA 260 N 0.68 1.92 -0.07 6.16 0.00 -0.77 -1.42 119.26 125.76 3igc h ALA 260 Ca -0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3igc h ALA 260 Cb 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3igc h ALA 260 CO 0.01 -0.06 -0.80 1.49 0.00 0.00 0.00 179.25 179.90 3igc h GLU 261 N 0.54 0.46 -0.43 0.00 4.22 -1.19 0.10 114.58 118.28 3igc h GLU 261 Ca 0.31 -0.41 -0.01 0.00 0.08 0.00 0.00 59.36 59.33 3igc h GLU 261 Cb 0.50 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3igc h GLU 261 CO -0.10 1.05 0.24 0.28 -2.18 0.00 0.00 179.01 178.30 3igc h VAL 262 N 0.30 1.16 0.02 0.32 2.07 -0.83 -3.28 116.25 116.02 3igc h VAL 262 Ca -0.05 -0.40 -0.23 0.00 0.82 0.00 0.00 66.70 66.84 3igc h VAL 262 Cb 1.40 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 3igc h VAL 262 CO 0.14 0.16 -0.99 0.58 0.02 0.00 0.00 177.57 177.49 3igc h VAL 263 N 0.56 1.43 0.00 2.57 2.07 -1.18 -3.48 116.25 118.21 3igc h VAL 263 Ca 0.15 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3igc h VAL 263 Cb 0.05 2.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3igc h VAL 263 CO -0.02 0.76 0.00 0.61 0.02 0.00 0.00 177.57 178.94 3igc n GLY 264 N 1.04 1.90 3.22 2.17 0.00 0.32 -4.96 105.19 108.87 3igc n GLY 264 Ca -0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 3igc n GLY 264 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3igc n HIS 265 N -1.06 -0.51 -2.44 1.61 1.44 -0.97 -5.05 115.22 108.24 3igc n HIS 265 Ca 0.00 -2.73 -0.34 0.00 -2.01 0.00 0.00 57.72 52.65 3igc n HIS 265 Cb 0.00 0.20 -0.03 0.00 0.12 0.00 0.00 29.99 30.29 3igc n HIS 265 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3igc s THR 266 N -3.26 3.78 0.31 0.61 -4.23 -1.26 -4.41 115.64 107.17 3igc s THR 266 Ca 0.34 1.06 0.05 0.00 -1.18 0.00 0.00 61.69 61.96 3igc s THR 266 Cb 0.02 -3.44 0.30 0.00 1.34 0.00 0.00 72.50 70.72 3igc s THR 266 CO 0.24 -0.29 1.81 -0.65 -0.54 0.00 0.00 174.62 175.19 3igc h PRO 267 N 1.34 0.80 -0.22 3.99 0.11 -1.90 -1.99 132.00 134.13 3igc h PRO 267 Ca -0.49 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3igc h PRO 267 Cb 1.22 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3igc h PRO 267 CO 0.59 0.53 0.03 0.66 -0.21 0.00 0.00 178.00 179.59 3igc h SER 268 N 0.82 -0.03 0.53 -2.05 4.64 -1.96 -2.54 113.55 112.96 3igc h SER 268 Ca 0.54 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.73 3igc h SER 268 Cb 0.76 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3igc h SER 268 CO -0.32 0.02 -0.73 -0.29 -0.87 0.00 0.00 176.83 174.64 3igc h ILE 269 N 0.10 1.46 -0.61 0.95 6.09 -1.86 -1.32 117.51 122.32 3igc h ILE 269 Ca 0.10 -2.33 0.12 0.00 -1.37 0.00 0.00 64.86 61.39 3igc h ILE 269 Cb 0.11 2.25 -0.09 0.00 0.47 0.00 0.00 36.82 39.55 3igc h ILE 269 CO -0.15 0.68 0.07 -1.28 -3.07 0.00 0.00 178.15 174.40 3igc h SER 270 N 0.10 -0.12 0.23 2.19 0.87 -1.14 0.12 113.55 115.80 3igc h SER 270 Ca -0.02 0.13 -0.31 0.00 -1.23 0.00 0.00 61.79 60.36 3igc h SER 270 Cb 1.29 0.21 0.03 0.00 -0.44 0.00 0.00 62.40 63.49 3igc h SER 270 CO 0.11 -0.05 -1.40 0.50 -0.53 0.00 0.00 176.83 175.45 3igc h LYS 271 N 0.19 0.49 -0.45 2.24 3.64 -1.24 -1.13 116.57 120.31 3igc h LYS 271 Ca 0.32 -0.83 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 3igc h LYS 271 Cb 0.50 0.31 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 3igc h LYS 271 CO -0.46 1.40 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.87 3igc h ARG 272 N 0.05 0.89 -0.00 1.90 2.43 -1.06 -3.35 114.38 115.24 3igc h ARG 272 Ca -0.25 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 3igc h ARG 272 Cb 2.07 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 3igc h ARG 272 CO 0.24 1.01 -0.02 0.00 -1.51 0.00 0.00 179.97 179.70 3igc n ALA 273 N -2.49 2.21 0.00 2.80 0.00 0.40 -4.85 120.51 118.59 3igc n ALA 273 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3igc n ALA 273 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3igc n ALA 273 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3igc n TYR 274 N -0.68 0.00 -1.84 0.00 4.01 -0.84 -5.03 117.16 112.79 3igc n TYR 274 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 3igc n TYR 274 Cb 0.01 0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 3igc n TYR 274 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 3igc s MET 275 N -1.97 4.17 0.18 -0.72 -1.94 -0.49 -4.78 119.30 113.76 3igc s MET 275 Ca 0.00 2.49 -0.31 0.00 -1.71 0.00 0.00 55.69 56.17 3igc s MET 275 Cb 0.00 -3.06 -0.09 0.00 2.01 0.00 0.00 34.83 33.68 3igc s MET 275 CO 0.00 -0.60 1.42 0.00 -0.01 0.00 0.00 175.02 175.84 3igc s ALA 276 N 0.28 3.63 0.30 3.03 0.00 -1.26 -4.92 121.76 122.82 3igc s ALA 276 Ca 0.65 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.83 3igc s ALA 276 Cb -0.46 -3.55 0.47 0.00 0.00 0.00 0.00 23.12 19.58 3igc s ALA 276 CO 0.43 -0.67 1.93 1.79 0.00 0.00 0.00 175.76 179.24 3igc h THR 277 N 3.88 1.20 -0.06 0.00 1.35 -1.91 -2.03 112.91 115.35 3igc h THR 277 Ca -0.44 -0.51 -0.09 0.00 -0.55 0.00 0.00 66.41 64.82 3igc h THR 277 Cb 1.21 0.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 3igc h THR 277 CO 0.83 0.23 -0.39 0.74 -0.25 0.00 0.00 175.52 176.68 3igc h THR 278 N 0.95 1.29 -0.64 6.82 2.02 -1.96 -2.43 112.91 118.96 3igc h THR 278 Ca 0.24 -1.41 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 3igc h THR 278 Cb 0.02 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3igc h THR 278 CO -0.04 0.41 0.23 0.40 0.37 0.00 0.00 175.52 176.89 3igc h ILE 279 N 0.10 1.24 -0.29 3.11 2.04 -1.76 -1.18 117.51 120.77 3igc h ILE 279 Ca 0.01 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3igc h ILE 279 Cb 0.74 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 3igc h ILE 279 CO 0.06 0.31 0.02 -0.07 0.00 0.00 0.00 178.15 178.47 3igc h LEU 280 N 0.90 0.48 -0.86 1.44 4.07 -1.31 -2.39 115.31 117.63 3igc h LEU 280 Ca 0.21 -0.29 -0.12 0.00 0.08 0.00 0.00 57.88 57.76 3igc h LEU 280 Cb 0.25 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3igc h LEU 280 CO -0.01 0.64 -0.55 1.05 -1.08 0.00 0.00 178.44 178.49 3igc h GLU 281 N 0.29 0.05 0.00 1.13 4.11 -1.36 -3.15 114.58 115.66 3igc h GLU 281 Ca 0.08 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 59.41 3igc h GLU 281 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3igc h GLU 281 CO 0.01 0.59 -0.35 0.00 0.07 0.00 0.00 179.01 179.33 3igc h MET 282 N 0.04 0.00 0.00 1.06 -0.00 -1.00 -2.77 114.93 112.25 3igc h MET 282 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3igc h MET 282 Cb 0.99 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.59 3igc h MET 282 CO 0.07 0.35 0.00 0.28 -0.00 0.00 0.00 176.91 177.61 3igc n VAL 283 N -3.39 0.02 0.01 -0.10 0.31 -0.92 -2.65 118.33 111.61 3igc n VAL 283 Ca 0.01 0.01 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 3igc n VAL 283 Cb 0.54 -0.51 -0.10 0.00 -0.91 0.00 0.00 33.84 32.86 3igc n VAL 283 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3igc n LYS 284 N -1.34 0.63 -1.87 5.55 5.02 -1.05 -4.89 118.16 120.22 3igc n LYS 284 Ca 0.12 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.17 3igc n LYS 284 Cb 0.26 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3igc n LYS 284 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3igc s ASP 285 N -5.69 6.30 0.24 4.39 3.68 -1.09 -4.87 116.67 119.63 3igc s ASP 285 Ca -0.04 2.12 0.23 0.00 2.13 0.00 0.00 52.55 56.99 3igc s ASP 285 Cb 0.09 -2.53 0.95 0.00 -1.45 0.00 0.00 42.92 39.98 3igc s ASP 285 CO 0.82 -1.25 1.71 0.29 0.13 0.00 0.00 175.17 176.86 3igc n LYS 286 N 7.71 0.19 0.13 4.34 5.02 -1.26 -1.47 118.16 132.82 3igc n LYS 286 Ca 0.21 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 57.02 3igc n LYS 286 Cb 0.43 -1.85 0.47 0.00 -0.02 0.00 0.00 35.03 34.06 3igc n LYS 286 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3igc h ASN 287 N 0.00 0.00 0.02 4.39 2.35 -1.93 -3.33 115.58 117.08 3igc h ASN 287 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3igc h ASN 287 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3igc h ASN 287 CO 0.00 0.00 -0.14 0.15 -1.65 0.00 0.00 177.43 175.79 3igc h PHE 288 N 0.00 0.10 -0.86 1.19 -0.00 -1.54 -3.35 116.94 112.49 3igc h PHE 288 Ca 0.00 -0.07 0.35 0.00 -0.00 0.00 0.00 57.97 58.25 3igc h PHE 288 Cb 0.52 -0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.32 3igc h PHE 288 CO 0.00 1.04 0.47 1.28 -0.00 0.00 0.00 178.31 181.10 3igc n LEU 289 N -4.53 0.29 -0.07 0.59 4.32 -1.25 -0.61 117.00 115.73 3igc n LEU 289 Ca -0.11 1.38 -0.11 0.00 -0.02 0.00 0.00 56.01 57.15 3igc n LEU 289 Cb 0.53 -0.67 0.03 0.00 -1.62 0.00 0.00 43.42 41.69 3igc n LEU 289 CO 0.37 -1.54 0.55 0.44 -1.22 0.00 0.00 177.39 175.98 3igc h ASP 290 N 0.00 0.83 -0.47 -1.43 3.45 -1.80 -3.01 116.42 113.99 3igc h ASP 290 Ca 0.71 -0.39 0.07 0.00 0.43 0.00 0.00 57.03 57.85 3igc h ASP 290 Cb 1.91 -0.23 -0.06 0.00 -0.56 0.00 0.00 39.33 40.39 3igc h ASP 290 CO -0.63 1.13 0.15 0.58 -1.57 0.00 0.00 179.24 178.90 3igc h VAL 291 N 0.62 0.82 -0.82 -1.35 2.07 -1.04 -2.66 116.25 113.90 3igc h VAL 291 Ca 0.05 -0.11 0.14 0.00 0.82 0.00 0.00 66.70 67.60 3igc h VAL 291 Cb 0.98 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 3igc h VAL 291 CO 0.09 0.06 0.40 0.58 0.02 0.00 0.00 177.57 178.72 3igc h VAL 292 N 0.31 0.73 -0.27 2.57 2.07 -1.41 -3.34 116.25 116.90 3igc h VAL 292 Ca 0.23 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3igc h VAL 292 Cb 0.25 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3igc h VAL 292 CO -0.25 0.11 -0.16 -1.20 0.02 0.00 0.00 177.57 176.09 3igc n SER 293 N -4.89 -0.28 -2.27 0.57 7.64 -1.00 -2.08 113.62 111.30 3igc n SER 293 Ca 0.16 0.71 -0.28 0.00 1.01 0.00 0.00 58.87 60.47 3igc n SER 293 Cb 0.41 -0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 3igc n SER 293 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3igc n LYS 294 N -3.63 3.36 -4.07 1.43 4.01 -1.25 -5.00 118.16 113.00 3igc n LYS 294 Ca 0.01 -4.09 -0.28 0.00 -0.51 0.00 0.00 58.31 53.44 3igc n LYS 294 Cb 0.07 -2.27 -0.06 0.00 -0.51 0.00 0.00 35.03 32.26 3igc n LYS 294 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 3igc s THR 295 N -4.94 4.47 0.74 -0.18 -4.23 -0.88 -5.09 115.64 105.52 3igc s THR 295 Ca 0.52 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.97 3igc s THR 295 Cb 0.42 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 71.08 3igc s THR 295 CO -0.07 0.00 1.07 -0.89 -0.54 0.00 0.00 174.62 174.19 3igc s THR 296 N -1.58 3.65 0.24 3.99 2.01 -1.26 -4.89 115.64 117.80 3igc s THR 296 Ca 0.30 0.53 -0.05 0.00 0.31 0.00 0.00 61.69 62.79 3igc s THR 296 Cb -0.11 -3.23 0.22 0.00 0.01 0.00 0.00 72.50 69.39 3igc s THR 296 CO 0.22 -0.70 1.83 0.15 -0.69 0.00 0.00 174.62 175.44 3igc h PHE 297 N -0.90 0.93 -0.27 4.92 3.57 -1.98 0.35 116.94 123.56 3igc h PHE 297 Ca -0.45 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 60.89 3igc h PHE 297 Cb 1.23 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3igc h PHE 297 CO 0.57 0.43 -0.58 -0.44 -2.23 0.00 0.00 178.31 176.06 3igc h ASP 298 N 0.89 0.98 -0.45 0.41 3.32 -1.98 0.63 116.42 120.22 3igc h ASP 298 Ca 0.39 -0.54 0.05 0.00 0.02 0.00 0.00 57.03 56.95 3igc h ASP 298 Cb 0.27 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3igc h ASP 298 CO -0.21 1.34 0.18 -0.33 -1.72 0.00 0.00 179.24 178.50 3igc h GLU 299 N 0.66 0.36 -0.42 3.56 5.08 -1.91 0.16 114.58 122.07 3igc h GLU 299 Ca 0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3igc h GLU 299 Cb 1.19 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 3igc h GLU 299 CO 0.13 0.24 0.18 0.35 -1.00 0.00 0.00 179.01 178.91 3igc h PHE 300 N 0.37 0.63 -0.70 4.33 3.57 -0.26 -0.97 116.94 123.91 3igc h PHE 300 Ca 0.21 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 3igc h PHE 300 Cb 0.18 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3igc h PHE 300 CO -0.14 0.54 0.30 1.25 -2.23 0.00 0.00 178.31 178.03 3igc h LEU 301 N 0.54 0.94 -0.41 0.59 5.85 0.47 -1.89 115.31 121.41 3igc h LEU 301 Ca 0.14 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3igc h LEU 301 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3igc h LEU 301 CO -0.01 0.84 0.16 -1.28 -0.34 0.00 0.00 178.44 177.81 3igc h SER 302 N 0.98 0.57 -0.65 1.25 0.87 -0.33 0.47 113.55 116.71 3igc h SER 302 Ca 0.23 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3igc h SER 302 Cb 0.18 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3igc h SER 302 CO -0.02 0.58 0.39 0.40 -0.53 0.00 0.00 176.83 177.65 3igc h ILE 303 N 0.52 1.05 0.02 2.23 2.04 -1.11 -1.58 117.51 120.67 3igc h ILE 303 Ca 0.14 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 3igc h ILE 303 Cb 0.20 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3igc h ILE 303 CO -0.01 0.14 -0.01 0.58 0.00 0.00 0.00 178.15 178.85 3igc h VAL 304 N 0.75 1.11 -0.40 1.67 2.07 -0.91 0.29 116.25 120.82 3igc h VAL 304 Ca 0.27 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3igc h VAL 304 Cb 0.07 1.35 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3igc h VAL 304 CO -0.13 0.09 -0.05 0.58 0.02 0.00 0.00 177.57 178.09 3igc h VAL 305 N -0.18 0.64 -0.77 2.57 2.07 -0.92 0.11 116.25 119.77 3igc h VAL 305 Ca -0.00 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3igc h VAL 305 Cb 0.17 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3igc h VAL 305 CO 0.00 0.01 0.50 0.44 0.02 0.00 0.00 177.57 178.54 3igc h ASP 306 N 0.05 0.84 -0.34 0.57 5.19 -1.13 1.00 116.42 122.60 3igc h ASP 306 Ca 0.20 -0.01 -0.09 0.00 -0.62 0.00 0.00 57.03 56.51 3igc h ASP 306 Cb 0.29 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3igc h ASP 306 CO -0.38 0.60 -0.08 -0.74 -3.12 0.00 0.00 179.24 175.52 3igc h HIS 307 N 1.00 0.82 -0.43 4.55 2.76 -0.25 -2.16 115.15 121.44 3igc h HIS 307 Ca 0.30 -0.14 -0.14 0.00 -2.20 0.00 0.00 60.37 58.19 3igc h HIS 307 Cb -0.05 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 3igc h HIS 307 CO -0.03 0.81 -0.26 0.28 -1.30 0.00 0.00 177.93 177.43 3igc h VAL 308 N 0.69 1.27 -0.05 5.26 2.07 -0.32 -2.31 116.25 122.86 3igc h VAL 308 Ca 0.12 -1.43 0.04 0.00 0.82 0.00 0.00 66.70 66.25 3igc h VAL 308 Cb 0.54 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 3igc h VAL 308 CO 0.03 0.48 -0.23 0.11 0.02 0.00 0.00 177.57 177.98 3igc h LYS 309 N 0.76 -0.32 0.00 1.57 1.57 -0.59 0.28 116.57 119.84 3igc h LYS 309 Ca 0.09 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3igc h LYS 309 Cb 0.84 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.23 3igc h LYS 309 CO 0.07 -0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.61 3igc n SER 310 N -5.36 0.00 -0.01 0.86 3.41 -0.83 -3.00 113.62 108.70 3igc n SER 310 Ca -0.04 -0.09 0.07 0.00 -0.26 0.00 0.00 58.87 58.55 3igc n SER 310 Cb 0.27 -0.30 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 3igc n SER 310 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3igc n SER 311 N -1.30 1.65 0.08 4.04 7.64 -0.87 -4.33 113.62 120.52 3igc n SER 311 Ca 0.13 -0.05 -0.08 0.00 1.01 0.00 0.00 58.87 59.88 3igc n SER 311 Cb 0.24 1.61 -0.08 0.00 -1.01 0.00 0.00 64.21 64.97 3igc n SER 311 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3igc h THR 312 N 0.00 1.63 0.00 0.44 1.03 -0.90 -3.50 112.91 111.61 3igc h THR 312 Ca 0.00 -3.15 0.00 0.00 -0.01 0.00 0.00 66.41 63.25 3igc h THR 312 Cb 0.64 2.75 0.00 0.00 -1.07 0.00 0.00 68.15 70.47 3igc h THR 312 CO 0.00 0.91 0.00 0.47 -0.01 0.00 0.00 175.52 176.89