#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iru h ARG 3 N 0.00 0.40 -0.15 -1.46 2.43 -2.09 -2.76 114.38 110.75 1iru h ARG 3 Ca 0.00 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.02 1iru h ARG 3 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1iru h ARG 3 CO 0.00 0.44 -0.23 -0.09 -1.51 0.00 0.00 179.97 178.58 1iru h ARG 4 N 0.39 0.26 0.00 0.20 2.43 -2.11 -3.21 114.38 112.34 1iru h ARG 4 Ca 0.09 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1iru h ARG 4 Cb 0.29 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1iru h ARG 4 CO 0.01 0.48 -0.86 0.66 -1.51 0.00 0.00 179.97 178.75 1iru n TYR 5 N -4.18 0.04 -2.42 2.20 4.02 -1.06 -4.90 117.16 110.86 1iru n TYR 5 Ca -0.01 0.01 -0.43 0.00 -0.01 0.00 0.00 57.90 57.47 1iru n TYR 5 Cb 0.35 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.48 1iru n TYR 5 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1iru s ASP 6 N -3.18 6.95 0.00 7.72 -1.08 -1.12 -4.91 116.67 121.05 1iru s ASP 6 Ca 0.08 1.70 0.29 0.00 -0.52 0.00 0.00 52.55 54.10 1iru s ASP 6 Cb 0.16 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.39 1iru s ASP 6 CO 0.80 -0.75 1.94 -1.54 0.52 0.00 0.00 175.17 176.14 1iru n SER 7 N 6.52 0.07 -3.04 -0.34 3.41 -1.26 -4.96 113.62 114.03 1iru n SER 7 Ca 0.14 0.11 -0.13 0.00 -0.26 0.00 0.00 58.87 58.72 1iru n SER 7 Cb 0.45 -0.33 0.06 0.00 -0.26 0.00 0.00 64.21 64.13 1iru n SER 7 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1iru n ARG 8 N -1.37 -2.14 0.00 4.33 5.12 -1.26 -4.89 116.66 116.45 1iru n ARG 8 Ca 0.10 0.76 0.04 0.00 -1.93 0.00 0.00 57.85 56.82 1iru n ARG 8 Cb 0.30 -5.31 0.17 0.00 -1.16 0.00 0.00 32.46 26.46 1iru n ARG 8 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1iru n THR 9 N -3.05 1.40 -2.50 0.55 -2.24 -1.26 -3.32 114.28 103.86 1iru n THR 9 Ca -0.07 0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.85 1iru n THR 9 Cb 0.61 -1.21 0.01 0.00 -2.10 0.00 0.00 70.33 67.64 1iru n THR 9 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1iru n THR 10 N -1.48 1.98 -4.45 4.28 -2.24 -1.26 -4.66 114.28 106.45 1iru n THR 10 Ca 0.02 -4.28 -0.24 0.00 -2.27 0.00 0.00 64.05 57.28 1iru n THR 10 Cb 0.09 -0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 67.60 1iru n THR 10 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1iru s ILE 11 N -4.73 2.60 0.33 2.28 1.01 -1.21 -4.78 121.20 116.70 1iru s ILE 11 Ca 0.42 -2.33 -0.16 0.00 0.00 0.00 0.00 60.65 58.58 1iru s ILE 11 Cb 0.41 -2.40 -0.09 0.00 0.01 0.00 0.00 42.46 40.39 1iru s ILE 11 CO -0.10 -0.38 0.76 -0.36 0.00 0.00 0.00 174.94 174.86 1iru s PHE 12 N -2.49 3.38 0.26 3.97 2.99 -1.26 -4.58 117.98 120.24 1iru s PHE 12 Ca 0.30 1.27 0.06 0.00 0.00 0.00 0.00 56.93 58.56 1iru s PHE 12 Cb -0.05 -2.57 -0.03 0.00 0.00 0.00 0.00 43.02 40.37 1iru s PHE 12 CO 0.16 0.08 0.33 -1.12 -0.00 0.00 0.00 175.22 174.67 1iru s SER 13 N -2.23 6.05 0.51 1.36 0.01 -0.64 -4.92 113.70 113.83 1iru s SER 13 Ca 0.54 -0.06 0.31 0.00 1.31 0.00 0.00 55.95 58.06 1iru s SER 13 Cb -0.10 -1.65 1.43 0.00 0.21 0.00 0.00 66.02 65.91 1iru s SER 13 CO 0.17 -0.11 1.82 1.55 0.41 0.00 0.00 173.24 177.07 1iru h PRO 14 N 1.22 0.09 -0.59 12.44 0.13 -1.98 0.96 132.00 144.26 1iru h PRO 14 Ca -0.50 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 1iru h PRO 14 Cb 1.24 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1iru h PRO 14 CO 0.60 0.06 -0.01 0.93 -0.23 0.00 0.00 178.00 179.35 1iru h GLU 15 N 0.09 1.05 0.00 0.86 4.39 -2.04 -3.46 114.58 115.47 1iru h GLU 15 Ca 0.54 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1iru h GLU 15 Cb 1.97 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1iru h GLU 15 CO -0.07 1.04 0.00 0.41 -1.16 0.00 0.00 179.01 179.22 1iru n GLY 16 N -0.40 1.65 3.24 -3.84 0.00 0.33 -5.13 105.19 101.04 1iru n GLY 16 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1iru n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1iru s ARG 17 N -0.31 1.03 -0.53 1.61 1.70 -1.25 -4.82 118.95 116.37 1iru s ARG 17 Ca 0.00 -1.39 -0.17 0.00 -0.47 0.00 0.00 55.73 53.70 1iru s ARG 17 Cb 0.00 -0.64 0.09 0.00 -0.57 0.00 0.00 34.95 33.83 1iru s ARG 17 CO 0.00 0.09 0.57 -0.51 -1.08 0.00 0.00 175.30 174.36 1iru s LEU 18 N -2.99 5.54 0.42 -1.89 1.43 -1.26 -1.63 118.68 118.30 1iru s LEU 18 Ca 0.14 -1.37 0.09 0.00 -1.03 0.00 0.00 54.13 51.96 1iru s LEU 18 Cb 0.01 -2.29 0.92 0.00 0.03 0.00 0.00 46.19 44.86 1iru s LEU 18 CO 0.01 -0.90 2.03 1.88 0.23 0.00 0.00 176.35 179.60 1iru h TYR 19 N 8.97 0.49 0.00 0.29 0.99 -1.93 -1.71 116.97 124.08 1iru h TYR 19 Ca -0.29 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.43 1iru h TYR 19 Cb 1.10 -0.16 -0.00 0.00 1.00 0.00 0.00 36.73 38.66 1iru h TYR 19 CO 0.75 0.28 -0.10 1.96 -0.00 0.00 0.00 178.16 181.05 1iru h GLN 20 N 0.51 0.00 -0.00 4.88 1.08 -1.92 -1.71 115.11 117.94 1iru h GLN 20 Ca 0.20 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.34 1iru h GLN 20 Cb 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 1iru h GLN 20 CO -0.05 0.10 -0.21 0.28 -0.95 0.00 0.00 178.83 178.00 1iru h VAL 21 N 0.00 1.56 -0.61 -0.54 2.07 -1.66 -2.92 116.25 114.15 1iru h VAL 21 Ca -0.00 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 65.63 1iru h VAL 21 Cb 0.58 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 1iru h VAL 21 CO 0.01 0.52 0.40 -0.33 0.02 0.00 0.00 177.57 178.20 1iru h GLU 22 N -0.54 0.67 0.00 1.57 5.08 -1.25 -1.28 114.58 118.83 1iru h GLU 22 Ca -0.03 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1iru h GLU 22 Cb 0.97 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1iru h GLU 22 CO 0.04 0.44 -0.57 1.88 -1.00 0.00 0.00 179.01 179.80 1iru h TYR 23 N 0.69 0.00 -0.30 4.33 0.99 -1.37 -2.42 116.97 118.88 1iru h TYR 23 Ca 0.25 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.90 1iru h TYR 23 Cb 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.84 1iru h TYR 23 CO -0.00 0.57 -0.11 0.00 -0.00 0.00 0.00 178.16 178.62 1iru h ALA 24 N 1.43 0.42 -0.22 3.88 0.00 -1.06 -2.76 119.26 120.94 1iru h ALA 24 Ca -0.01 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1iru h ALA 24 Cb 1.14 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1iru h ALA 24 CO 0.07 0.29 -0.30 0.52 0.00 0.00 0.00 179.25 179.83 1iru h MET 25 N 0.37 -0.31 -0.77 0.00 2.86 -1.09 -1.10 114.93 114.90 1iru h MET 25 Ca 0.07 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.87 1iru h MET 25 Cb 0.62 0.07 -0.14 0.00 0.06 0.00 0.00 31.60 32.21 1iru h MET 25 CO 0.04 -0.21 -0.31 0.93 1.06 0.00 0.00 176.91 178.42 1iru h GLU 26 N -0.33 -0.07 -0.77 1.72 4.39 -1.29 0.87 114.58 119.11 1iru h GLU 26 Ca 0.12 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.92 1iru h GLU 26 Cb 0.52 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 1iru h GLU 26 CO -0.41 -0.05 0.51 0.00 -1.16 0.00 0.00 179.01 177.90 1iru h ALA 27 N 1.35 1.79 -0.23 3.43 0.00 -0.96 -2.10 119.26 122.53 1iru h ALA 27 Ca 0.31 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 1iru h ALA 27 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1iru h ALA 27 CO -0.81 0.06 -0.06 0.82 0.00 0.00 0.00 179.25 179.26 1iru h ILE 28 N 0.70 1.28 0.00 0.00 2.04 0.17 -3.01 117.51 118.69 1iru h ILE 28 Ca 0.35 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1iru h ILE 28 Cb 0.45 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1iru h ILE 28 CO -0.13 0.33 0.00 0.61 0.00 0.00 0.00 178.15 178.95 1iru n GLY 29 N -0.15 1.09 0.00 5.37 0.00 0.22 -1.15 105.19 110.58 1iru n GLY 29 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1iru n GLY 29 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1iru n HIS 30 N 0.62 0.00 -2.15 1.61 8.25 -1.14 -4.41 115.22 118.00 1iru n HIS 30 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 1iru n HIS 30 Cb 0.26 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.42 1iru n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1iru s ALA 31 N -0.09 3.08 -0.12 -1.41 0.00 -0.30 -4.80 121.76 118.11 1iru s ALA 31 Ca 0.00 -0.66 -0.38 0.00 0.00 0.00 0.00 51.96 50.92 1iru s ALA 31 Cb 0.00 -2.76 -0.15 0.00 0.00 0.00 0.00 23.12 20.21 1iru s ALA 31 CO 0.00 -1.13 1.63 0.41 0.00 0.00 0.00 175.76 176.67 1iru n GLY 32 N -2.88 0.83 3.58 0.00 0.00 -1.26 -2.04 105.19 103.43 1iru n GLY 32 Ca 0.06 0.84 -0.39 0.00 0.00 0.00 0.00 46.02 46.53 1iru n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1iru n THR 33 N 3.97 2.85 -3.67 2.61 -1.04 -1.26 -4.54 114.28 113.20 1iru n THR 33 Ca 0.23 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 1iru n THR 33 Cb 0.18 -1.06 -0.09 0.00 -1.82 0.00 0.00 70.33 67.54 1iru n THR 33 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1iru s LEU 35 N 1.02 0.48 -0.07 0.00 2.34 0.04 0.12 118.68 122.62 1iru s LEU 35 Ca -0.06 -0.73 -0.11 0.00 0.06 0.00 0.00 54.13 53.29 1iru s LEU 35 Cb -0.06 1.68 0.02 0.00 -0.56 0.00 0.00 46.19 47.28 1iru s LEU 35 CO -0.09 -1.01 0.27 -0.83 -1.06 0.00 0.00 176.35 173.63 1iru s GLY 36 N -2.94 -0.16 0.08 -3.48 0.00 -0.60 -0.58 107.32 99.64 1iru s GLY 36 Ca 0.15 0.55 0.08 0.00 0.00 0.00 0.00 44.72 45.50 1iru s GLY 36 CO 0.01 0.41 -0.22 -0.42 0.00 0.00 0.00 173.10 172.87 1iru s ILE 37 N -0.45 1.81 -0.22 0.90 1.01 -1.16 -1.76 121.20 121.33 1iru s ILE 37 Ca -0.06 -1.43 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 1iru s ILE 37 Cb -0.04 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1iru s ILE 37 CO 0.02 0.10 0.09 -0.22 0.00 0.00 0.00 174.94 174.93 1iru s LEU 38 N -1.59 3.81 0.00 2.97 2.96 0.23 -2.30 118.68 124.76 1iru s LEU 38 Ca 0.08 0.02 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1iru s LEU 38 Cb -0.10 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1iru s LEU 38 CO 0.03 0.09 0.00 0.00 -1.32 0.00 0.00 176.35 175.15 1iru n ALA 39 N 4.09 0.00 0.00 5.97 0.00 -0.10 -4.81 120.51 125.66 1iru n ALA 39 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1iru n ALA 39 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1iru n ALA 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iru n ASN 40 N 0.00 0.29 0.00 0.00 3.02 -0.86 -4.63 115.26 113.08 1iru n ASN 40 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1iru n ASN 40 Cb 0.00 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 1iru n ASN 40 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1iru n ASP 41 N -0.73 0.81 -3.43 6.41 5.75 -1.26 -5.04 116.55 119.07 1iru n ASP 41 Ca 0.00 -0.96 0.03 0.00 -0.01 0.00 0.00 54.79 53.85 1iru n ASP 41 Cb 0.00 0.07 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1iru n ASP 41 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iru n GLY 42 N 0.07 0.21 3.32 6.12 0.00 -1.26 -4.32 105.19 109.32 1iru n GLY 42 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1iru n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s VAL 43 N -2.02 0.03 0.25 1.61 0.11 -0.74 -0.92 120.40 118.72 1iru s VAL 43 Ca 0.26 -0.25 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1iru s VAL 43 Cb -0.00 -0.69 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1iru s VAL 43 CO -0.01 -0.14 0.11 -1.48 -3.33 0.00 0.00 175.10 170.25 1iru s LEU 44 N -0.84 1.50 -0.01 2.54 -0.00 -0.97 -0.66 118.68 120.24 1iru s LEU 44 Ca -0.09 -1.40 0.00 0.00 -0.00 0.00 0.00 54.13 52.64 1iru s LEU 44 Cb -0.04 0.13 0.02 0.00 -0.00 0.00 0.00 46.19 46.30 1iru s LEU 44 CO 0.04 -0.77 0.01 -0.76 -0.00 0.00 0.00 176.35 174.87 1iru s LEU 45 N -3.28 1.51 -0.04 1.48 1.43 -0.19 -2.97 118.68 116.62 1iru s LEU 45 Ca 0.38 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1iru s LEU 45 Cb 0.07 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.23 1iru s LEU 45 CO 0.14 -0.06 -0.01 0.00 0.23 0.00 0.00 176.35 176.65 1iru s ALA 46 N 0.56 0.49 0.05 4.21 0.00 0.26 -1.63 121.76 125.70 1iru s ALA 46 Ca -0.05 0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1iru s ALA 46 Cb -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1iru s ALA 46 CO -0.01 -0.19 -0.11 0.00 0.00 0.00 0.00 175.76 175.45 1iru s ALA 47 N 1.32 0.87 -0.98 0.00 0.00 -0.74 -0.78 121.76 121.45 1iru s ALA 47 Ca -0.05 -0.85 -0.24 0.00 0.00 0.00 0.00 51.96 50.81 1iru s ALA 47 Cb -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1iru s ALA 47 CO -0.02 0.08 1.82 -2.00 0.00 0.00 0.00 175.76 175.64 1iru s GLU 48 N -1.57 2.85 -0.51 0.00 2.12 0.29 -1.57 118.70 120.31 1iru s GLU 48 Ca -0.05 -0.65 -0.33 0.00 0.36 0.00 0.00 54.97 54.30 1iru s GLU 48 Cb -0.10 -5.17 -0.13 0.00 0.26 0.00 0.00 34.13 29.00 1iru s GLU 48 CO 0.01 -3.13 2.34 -2.13 -0.54 0.00 0.00 175.26 171.81 1iru n ARG 49 N 8.78 0.84 0.05 4.30 0.63 -1.22 -4.52 116.66 125.52 1iru n ARG 49 Ca 0.39 0.16 -0.03 0.00 -0.92 0.00 0.00 57.85 57.46 1iru n ARG 49 Cb 0.48 -2.48 -0.08 0.00 0.45 0.00 0.00 32.46 30.83 1iru n ARG 49 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1iru h ARG 50 N 13.88 0.00 -2.15 -0.14 2.47 -1.91 -3.36 114.38 123.16 1iru h ARG 50 Ca -0.22 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.36 1iru h ARG 50 Cb 1.31 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.58 1iru h ARG 50 CO 1.12 0.56 -0.22 0.09 0.56 0.00 0.00 179.97 182.08 1iru n ASN 51 N -3.12 4.36 -4.59 7.04 5.03 -1.26 -4.81 115.26 117.92 1iru n ASN 51 Ca -0.06 -2.30 -0.41 0.00 0.87 0.00 0.00 54.58 52.68 1iru n ASN 51 Cb 0.88 -1.16 -0.07 0.00 -1.02 0.00 0.00 39.78 38.42 1iru n ASN 51 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1iru s ILE 52 N 1.25 4.93 -0.27 2.41 -5.25 -1.26 -4.98 121.20 118.03 1iru s ILE 52 Ca 0.51 0.71 -0.28 0.00 -0.99 0.00 0.00 60.65 60.60 1iru s ILE 52 Cb 0.24 -4.02 0.18 0.00 2.95 0.00 0.00 42.46 41.81 1iru s ILE 52 CO 0.00 -0.20 1.30 -2.28 -1.79 0.00 0.00 174.94 171.97 1iru s HIS 53 N 2.61 -0.13 -1.24 1.37 5.04 -1.26 -5.07 115.29 116.61 1iru s HIS 53 Ca 0.24 0.26 -0.07 0.00 -1.54 0.00 0.00 55.06 53.96 1iru s HIS 53 Cb -0.15 0.47 0.03 0.00 0.04 0.00 0.00 32.58 32.98 1iru s HIS 53 CO 0.13 -0.09 2.67 0.36 -2.34 0.00 0.00 174.74 175.46 1iru n LYS 54 N 1.01 3.96 0.00 2.88 -0.00 -1.26 -3.63 118.16 121.12 1iru n LYS 54 Ca -0.06 -2.84 0.00 0.00 -0.00 0.00 0.00 58.31 55.41 1iru n LYS 54 Cb 0.58 -2.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.02 1iru n LYS 54 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1iru n LEU 55 N 2.21 0.00 -4.75 -5.58 4.77 -1.26 -5.12 117.00 107.26 1iru n LEU 55 Ca 0.65 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 56.25 1iru n LEU 55 Cb 0.31 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1iru n LEU 55 CO 0.66 0.00 0.94 -0.76 -1.33 0.00 0.00 177.39 176.91 1iru s LEU 56 N -0.43 3.85 -0.00 2.23 1.43 -1.24 -4.93 118.68 119.59 1iru s LEU 56 Ca 0.00 2.65 0.18 0.00 -1.03 0.00 0.00 54.13 55.93 1iru s LEU 56 Cb 0.00 -4.31 -0.20 0.00 0.03 0.00 0.00 46.19 41.71 1iru s LEU 56 CO 0.00 -1.49 0.72 -0.67 0.23 0.00 0.00 176.35 175.14 1iru n ASP 57 N -1.03 0.83 0.00 2.29 2.03 -1.26 -5.05 116.55 114.37 1iru n ASP 57 Ca 0.10 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.59 1iru n ASP 57 Cb 0.46 1.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.95 1iru n ASP 57 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1iru n GLU 58 N -1.49 0.00 -0.39 -0.67 -0.58 -1.26 -4.90 120.64 111.35 1iru n GLU 58 Ca 0.03 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1iru n GLU 58 Cb 0.30 0.00 0.22 0.00 -0.57 0.00 0.00 31.44 31.39 1iru n GLU 58 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1iru n VAL 59 N 1.14 2.21 -4.12 2.62 0.31 -1.26 -5.05 118.33 114.19 1iru n VAL 59 Ca 0.00 -2.09 -0.26 0.00 -0.01 0.00 0.00 64.34 61.98 1iru n VAL 59 Cb 0.00 -0.26 -0.06 0.00 -0.91 0.00 0.00 33.84 32.61 1iru n VAL 59 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1iru s PHE 60 N -2.89 3.05 0.53 3.52 0.40 -1.26 -4.99 117.98 116.34 1iru s PHE 60 Ca 0.40 -0.06 0.29 0.00 -0.60 0.00 0.00 56.93 56.96 1iru s PHE 60 Cb 0.33 -1.46 1.44 0.00 0.51 0.00 0.00 43.02 43.84 1iru s PHE 60 CO 0.06 0.52 1.92 0.74 0.70 0.00 0.00 175.22 179.16 1iru h PHE 61 N 2.44 0.03 -1.69 0.36 -1.00 -1.96 -3.44 116.94 111.67 1iru h PHE 61 Ca -0.47 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.31 1iru h PHE 61 Cb 1.20 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1iru h PHE 61 CO 0.59 0.01 0.00 0.45 -1.61 0.00 0.00 178.31 177.75 1iru n SER 62 N -4.31 0.00 0.00 2.17 2.88 -1.26 -4.92 113.62 108.18 1iru n SER 62 Ca 0.16 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 57.01 1iru n SER 62 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1iru n SER 62 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1iru n GLU 63 N 0.00 2.50 -0.05 -1.46 2.13 -1.26 -4.84 120.64 117.66 1iru n GLU 63 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1iru n GLU 63 Cb 0.00 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 30.94 1iru n GLU 63 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1iru n LYS 64 N -1.02 0.00 -4.04 5.31 5.02 -1.26 -5.05 118.16 117.12 1iru n LYS 64 Ca 0.00 -0.50 -0.35 0.00 -2.02 0.00 0.00 58.31 55.44 1iru n LYS 64 Cb 0.11 -0.46 -0.12 0.00 -0.02 0.00 0.00 35.03 34.54 1iru n LYS 64 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1iru s ILE 65 N 0.00 4.16 -0.04 -0.18 -1.09 -1.26 -3.23 121.20 119.56 1iru s ILE 65 Ca 0.00 -0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1iru s ILE 65 Cb 0.00 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 1iru s ILE 65 CO 0.00 0.42 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.58 1iru s TYR 66 N 0.95 2.27 -0.28 3.97 1.51 0.21 -4.67 117.35 121.30 1iru s TYR 66 Ca 0.02 -0.56 -0.16 0.00 -1.01 0.00 0.00 57.07 55.36 1iru s TYR 66 Cb -0.14 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 1iru s TYR 66 CO 0.02 -0.13 0.41 0.21 -1.11 0.00 0.00 175.55 174.95 1iru s LYS 67 N -0.33 3.94 0.00 -0.62 2.20 -1.26 0.36 119.74 124.03 1iru s LYS 67 Ca 0.02 0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1iru s LYS 67 Cb -0.12 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1iru s LYS 67 CO 0.01 -0.35 0.00 1.28 -0.36 0.00 0.00 175.35 175.93 1iru n LEU 68 N 5.42 0.00 0.00 5.43 4.77 -0.58 -4.96 117.00 127.08 1iru n LEU 68 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1iru n LEU 68 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1iru n LEU 68 CO 0.39 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.25 1iru n ASN 69 N -0.14 -0.43 -0.01 -1.43 5.15 -1.15 -4.87 115.26 112.39 1iru n ASN 69 Ca 0.00 -0.24 0.10 0.00 -0.60 0.00 0.00 54.58 53.84 1iru n ASN 69 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 1iru n ASN 69 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1iru n GLU 70 N -0.67 0.60 -0.21 1.20 2.13 -1.26 -3.99 120.64 118.45 1iru n GLU 70 Ca 0.00 -0.18 0.08 0.00 0.66 0.00 0.00 57.16 57.72 1iru n GLU 70 Cb 0.00 -1.48 0.19 0.00 0.27 0.00 0.00 31.44 30.43 1iru n GLU 70 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1iru n ASP 71 N -2.19 3.17 -4.00 4.31 8.00 -1.26 -4.74 116.55 119.84 1iru n ASP 71 Ca -0.04 -1.93 -0.08 0.00 0.71 0.00 0.00 54.79 53.44 1iru n ASP 71 Cb 0.52 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 1iru n ASP 71 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1iru s MET 72 N -1.08 0.51 0.18 -1.24 -1.94 -1.26 -1.41 119.30 113.07 1iru s MET 72 Ca 0.31 -0.87 -0.16 0.00 -1.71 0.00 0.00 55.69 53.27 1iru s MET 72 Cb 0.17 0.19 0.02 0.00 2.01 0.00 0.00 34.83 37.22 1iru s MET 72 CO 0.23 -0.11 0.47 0.00 -0.01 0.00 0.00 175.02 175.60 1iru s ALA 73 N -2.71 -0.77 0.30 3.03 0.00 -0.93 -1.53 121.76 119.15 1iru s ALA 73 Ca -0.04 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 1iru s ALA 73 Cb -0.01 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.97 1iru s ALA 73 CO -0.05 -0.76 0.61 0.00 0.00 0.00 0.00 175.76 175.55 1iru s SER 75 N -3.04 0.63 0.22 0.00 0.15 -0.22 0.64 113.70 112.09 1iru s SER 75 Ca 0.19 -0.90 0.09 0.00 0.70 0.00 0.00 55.95 56.03 1iru s SER 75 Cb -0.03 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.38 1iru s SER 75 CO 0.11 -0.50 -0.16 -0.69 1.20 0.00 0.00 173.24 173.20 1iru s VAL 76 N -3.32 1.96 -0.18 4.45 1.01 -1.20 -1.04 120.40 122.07 1iru s VAL 76 Ca 0.04 -2.26 -0.05 0.00 0.00 0.00 0.00 61.98 59.71 1iru s VAL 76 Cb 0.04 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1iru s VAL 76 CO -0.07 -0.53 0.09 0.00 0.00 0.00 0.00 175.10 174.60 1iru s ALA 77 N -2.80 0.44 0.00 5.51 0.00 -0.62 -4.93 121.76 119.36 1iru s ALA 77 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1iru s ALA 77 Cb -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1iru s ALA 77 CO 0.09 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1iru n GLY 78 N 5.27 0.29 3.63 0.00 0.00 -1.26 -2.24 105.19 110.87 1iru n GLY 78 Ca -0.07 -1.17 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1iru n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iru s ILE 79 N -4.00 4.13 0.18 -0.61 1.09 0.10 -4.93 121.20 117.15 1iru s ILE 79 Ca 0.00 1.26 -0.13 0.00 -1.10 0.00 0.00 60.65 60.68 1iru s ILE 79 Cb 0.00 -4.18 0.07 0.00 -1.06 0.00 0.00 42.46 37.29 1iru s ILE 79 CO 0.00 -0.51 1.79 0.71 -0.10 0.00 0.00 174.94 176.83 1iru h THR 80 N 6.01 0.98 -0.34 2.92 1.35 -1.97 0.14 112.91 122.01 1iru h THR 80 Ca -0.26 -0.18 0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1iru h THR 80 Cb 1.10 0.42 -0.03 0.00 -1.73 0.00 0.00 68.15 67.91 1iru h THR 80 CO 1.04 0.09 0.16 0.77 -0.25 0.00 0.00 175.52 177.33 1iru h SER 81 N 0.52 0.22 -0.86 5.36 4.64 -1.99 0.30 113.55 121.73 1iru h SER 81 Ca 0.21 0.02 0.10 0.00 -0.47 0.00 0.00 61.79 61.65 1iru h SER 81 Cb 0.10 -0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.11 1iru h SER 81 CO -0.14 0.17 0.56 0.44 -0.87 0.00 0.00 176.83 176.99 1iru h ASP 82 N 0.33 0.74 -0.29 4.97 5.19 -1.81 -1.77 116.42 123.78 1iru h ASP 82 Ca 0.14 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.48 1iru h ASP 82 Cb 0.07 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1iru h ASP 82 CO -0.11 0.43 -0.21 0.00 -3.12 0.00 0.00 179.24 176.23 1iru h ALA 83 N 1.57 0.42 -0.25 3.45 0.00 0.12 -2.49 119.26 122.07 1iru h ALA 83 Ca 0.40 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1iru h ALA 83 Cb 0.45 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1iru h ALA 83 CO -0.17 0.36 0.18 -0.91 0.00 0.00 0.00 179.25 178.72 1iru h ASN 84 N 0.40 0.00 -0.01 0.00 2.35 0.34 -0.50 115.58 118.16 1iru h ASN 84 Ca 0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1iru h ASN 84 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 1iru h ASN 84 CO 0.06 0.00 -0.05 0.58 -1.65 0.00 0.00 177.43 176.37 1iru h VAL 85 N 0.00 1.53 0.00 2.81 2.07 -1.25 -2.58 116.25 118.82 1iru h VAL 85 Ca 0.12 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 1iru h VAL 85 Cb 0.49 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 1iru h VAL 85 CO -0.00 0.43 -0.19 -0.07 0.02 0.00 0.00 177.57 177.76 1iru h LEU 86 N -0.61 0.00 0.05 2.57 3.38 -0.92 -2.15 115.31 117.62 1iru h LEU 86 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1iru h LEU 86 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1iru h LEU 86 CO 0.01 0.19 -0.32 0.71 0.09 0.00 0.00 178.44 179.13 1iru h THR 87 N 0.00 1.67 -0.43 0.22 1.35 -1.19 -2.05 112.91 112.48 1iru h THR 87 Ca -0.00 -2.37 0.09 0.00 -0.55 0.00 0.00 66.41 63.58 1iru h THR 87 Cb 0.59 3.26 -0.09 0.00 -1.73 0.00 0.00 68.15 70.18 1iru h THR 87 CO 0.02 0.64 -0.22 -1.13 -0.25 0.00 0.00 175.52 174.58 1iru h ASN 88 N -0.72 -0.76 -0.20 5.36 -0.73 -1.38 0.85 115.58 117.99 1iru h ASN 88 Ca -0.05 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1iru h ASN 88 Cb 1.23 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 40.21 1iru h ASN 88 CO 0.06 -0.25 0.13 -0.08 -0.37 0.00 0.00 177.43 176.92 1iru h GLU 89 N -0.14 0.27 -0.38 6.67 4.57 -1.46 -1.80 114.58 122.31 1iru h GLU 89 Ca 0.21 -0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.32 1iru h GLU 89 Cb 0.46 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 1iru h GLU 89 CO -0.52 0.18 0.06 -0.07 -1.18 0.00 0.00 179.01 177.48 1iru h LEU 90 N 0.28 0.61 -0.69 1.64 3.38 0.13 -1.41 115.31 119.25 1iru h LEU 90 Ca 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1iru h LEU 90 Cb -0.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1iru h LEU 90 CO -0.02 0.72 0.43 0.03 0.09 0.00 0.00 178.44 179.70 1iru h ARG 91 N 0.48 0.93 -0.39 1.13 3.08 0.13 -2.08 114.38 117.66 1iru h ARG 91 Ca 0.12 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1iru h ARG 91 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1iru h ARG 91 CO 0.01 0.64 0.18 -0.07 -1.07 0.00 0.00 179.97 179.67 1iru h LEU 92 N 0.94 0.51 -1.77 3.04 3.38 -1.18 -1.98 115.31 118.25 1iru h LEU 92 Ca 0.25 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1iru h LEU 92 Cb -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1iru h LEU 92 CO -0.05 0.49 0.01 0.40 0.09 0.00 0.00 178.44 179.38 1iru h ILE 93 N 0.48 1.07 0.12 1.22 2.04 -1.01 -0.76 117.51 120.68 1iru h ILE 93 Ca 0.13 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1iru h ILE 93 Cb 0.12 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1iru h ILE 93 CO -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 178.15 178.16 1iru h ALA 94 N 1.86 -0.16 -0.50 1.87 0.00 -0.86 -2.85 119.26 118.62 1iru h ALA 94 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1iru h ALA 94 Cb 0.10 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1iru h ALA 94 CO 0.00 -0.41 0.09 1.96 0.00 0.00 0.00 179.25 180.89 1iru h GLN 95 N -0.53 0.77 -0.82 0.00 1.08 -1.00 -0.93 115.11 113.68 1iru h GLN 95 Ca -0.02 -0.16 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1iru h GLN 95 Cb 0.42 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 1iru h GLN 95 CO 0.03 0.72 0.42 0.00 -0.95 0.00 0.00 178.83 179.05 1iru h ARG 96 N 0.74 1.16 -0.20 1.46 3.08 -1.18 0.33 114.38 119.77 1iru h ARG 96 Ca 0.16 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1iru h ARG 96 Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1iru h ARG 96 CO 0.00 0.87 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.81 1iru h TYR 97 N 1.16 0.42 -0.97 3.04 3.20 -1.18 -1.78 116.97 120.87 1iru h TYR 97 Ca 0.29 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.09 1iru h TYR 97 Cb 0.07 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1iru h TYR 97 CO 0.01 0.62 0.64 1.25 -1.64 0.00 0.00 178.16 179.04 1iru h LEU 98 N 0.11 1.09 0.55 2.82 5.85 -0.58 0.84 115.31 125.99 1iru h LEU 98 Ca 0.05 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1iru h LEU 98 Cb 0.48 -0.26 0.01 0.00 0.37 0.00 0.00 40.66 41.25 1iru h LEU 98 CO 0.02 0.77 -0.27 0.25 -0.34 0.00 0.00 178.44 178.87 1iru h LEU 99 N 1.28 -0.63 -0.82 2.25 5.85 -0.25 0.57 115.31 123.56 1iru h LEU 99 Ca 0.37 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1iru h LEU 99 Cb -0.09 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1iru h LEU 99 CO -0.10 -0.37 0.48 -0.61 -0.34 0.00 0.00 178.44 177.50 1iru h GLN 100 N -0.86 1.11 0.00 1.25 4.15 -1.09 -3.30 115.11 116.37 1iru h GLN 100 Ca -0.08 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1iru h GLN 100 Cb 0.61 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1iru h GLN 100 CO 0.13 0.79 -1.07 0.66 -1.93 0.00 0.00 178.83 177.41 1iru n TYR 101 N -4.44 0.00 -3.07 3.99 4.02 0.27 -5.00 117.16 112.92 1iru n TYR 101 Ca 0.08 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.78 1iru n TYR 101 Cb 0.06 -0.14 0.04 0.00 -0.02 0.00 0.00 39.34 39.29 1iru n TYR 101 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1iru n GLN 102 N -1.61 -4.97 -3.64 -0.72 1.13 0.20 -5.00 117.38 102.76 1iru n GLN 102 Ca 0.00 0.73 -0.15 0.00 -1.94 0.00 0.00 57.00 55.65 1iru n GLN 102 Cb 0.27 -5.29 -0.08 0.00 0.11 0.00 0.00 30.24 25.25 1iru n GLN 102 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 1iru s GLU 103 N -5.71 0.79 0.29 -1.09 -1.05 -1.25 -5.06 118.70 105.62 1iru s GLU 103 Ca 0.33 0.50 -0.29 0.00 -0.15 0.00 0.00 54.97 55.37 1iru s GLU 103 Cb -0.15 0.37 -0.14 0.00 -0.44 0.00 0.00 34.13 33.78 1iru s GLU 103 CO 0.41 -0.17 1.11 -2.30 0.95 0.00 0.00 175.26 175.27 1iru n PRO 104 N 2.01 1.55 -2.23 -4.83 -0.02 -1.26 -4.16 135.00 126.07 1iru n PRO 104 Ca -0.16 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1iru n PRO 104 Cb 0.56 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.02 1iru n PRO 104 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1iru s ILE 105 N -0.92 3.53 -0.03 4.25 2.07 -1.26 -4.93 121.20 123.90 1iru s ILE 105 Ca 0.60 1.07 -0.36 0.00 -1.41 0.00 0.00 60.65 60.54 1iru s ILE 105 Cb -0.68 -3.68 -0.15 0.00 0.13 0.00 0.00 42.46 38.08 1iru s ILE 105 CO 0.59 0.06 1.63 -2.65 -1.91 0.00 0.00 174.94 172.67 1iru n PRO 106 N 4.26 1.64 -0.25 3.50 -0.02 -1.26 -4.79 135.00 138.08 1iru n PRO 106 Ca 0.11 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.12 1iru n PRO 106 Cb 0.43 -2.33 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1iru n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iru h GLU 108 N 0.00 0.80 -0.69 0.00 4.81 -2.01 -1.64 114.58 115.85 1iru h GLU 108 Ca 0.10 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1iru h GLU 108 Cb 0.25 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1iru h GLU 108 CO -0.57 0.53 0.45 1.96 -0.73 0.00 0.00 179.01 180.65 1iru h GLN 109 N 0.82 0.86 0.00 1.92 4.20 -1.20 0.94 115.11 122.65 1iru h GLN 109 Ca 0.51 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.15 1iru h GLN 109 Cb 0.66 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 1iru h GLN 109 CO -0.33 0.57 -0.12 1.25 -0.67 0.00 0.00 178.83 179.53 1iru h LEU 110 N 0.88 0.00 0.03 1.46 5.85 -0.96 -2.16 115.31 120.41 1iru h LEU 110 Ca 0.26 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 1iru h LEU 110 Cb -0.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1iru h LEU 110 CO -0.07 0.12 -0.58 0.58 -0.34 0.00 0.00 178.44 178.16 1iru h VAL 111 N 0.00 1.45 -0.51 1.05 2.07 -0.81 -3.07 116.25 116.43 1iru h VAL 111 Ca -0.00 -2.33 0.07 0.00 0.82 0.00 0.00 66.70 65.26 1iru h VAL 111 Cb 0.48 2.99 -0.03 0.00 -1.52 0.00 0.00 31.29 33.22 1iru h VAL 111 CO 0.02 0.55 0.34 0.71 0.02 0.00 0.00 177.57 179.21 1iru h THR 112 N -0.86 0.94 0.71 2.57 1.35 -1.02 -0.67 112.91 115.93 1iru h THR 112 Ca -0.14 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 1iru h THR 112 Cb 1.23 0.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1iru h THR 112 CO -0.03 0.07 -0.35 0.00 -0.25 0.00 0.00 175.52 174.96 1iru h ALA 113 N 1.73 -1.25 -0.04 6.62 0.00 -1.46 -1.58 119.26 123.27 1iru h ALA 113 Ca 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1iru h ALA 113 Cb 0.39 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1iru h ALA 113 CO -0.06 -1.19 0.06 1.25 0.00 0.00 0.00 179.25 179.31 1iru h LEU 114 N -0.96 0.00 -0.24 0.00 5.85 -1.36 -2.04 115.31 116.56 1iru h LEU 114 Ca -0.10 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.41 1iru h LEU 114 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1iru h LEU 114 CO 0.15 0.00 -0.86 0.00 -0.34 0.00 0.00 178.44 177.40 1iru h ASP 116 N 0.30 0.00 -0.09 0.00 5.19 -0.53 0.77 116.42 122.05 1iru h ASP 116 Ca -0.06 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.22 1iru h ASP 116 Cb 1.47 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.99 1iru h ASP 116 CO 0.15 0.12 -0.44 0.40 -3.12 0.00 0.00 179.24 176.36 1iru h ILE 117 N 0.00 1.38 -0.37 0.35 2.04 -1.51 -2.42 117.51 116.99 1iru h ILE 117 Ca -0.00 -1.78 -0.14 0.00 1.00 0.00 0.00 64.86 63.94 1iru h ILE 117 Cb 0.23 2.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1iru h ILE 117 CO 0.02 0.53 -0.31 0.11 0.00 0.00 0.00 178.15 178.49 1iru h LYS 118 N 0.03 0.81 -0.97 2.37 1.57 -1.29 -2.59 116.57 116.51 1iru h LYS 118 Ca -0.03 -0.38 0.07 0.00 -1.87 0.00 0.00 60.65 58.45 1iru h LYS 118 Cb 1.08 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.31 1iru h LYS 118 CO 0.09 1.01 0.61 0.37 -0.57 0.00 0.00 179.45 180.96 1iru h GLN 119 N 0.68 1.06 -0.29 3.15 -0.00 -0.88 -2.04 115.11 116.79 1iru h GLN 119 Ca 0.07 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 1iru h GLN 119 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1iru h GLN 119 CO 0.08 0.70 0.13 0.00 0.00 0.00 0.00 178.83 179.73 1iru h ALA 120 N 1.45 0.38 0.00 3.38 0.00 -1.08 -2.06 119.26 121.34 1iru h ALA 120 Ca 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1iru h ALA 120 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1iru h ALA 120 CO -0.19 -0.04 0.02 0.66 0.00 0.00 0.00 179.25 179.70 1iru n TYR 121 N -4.76 0.00 0.51 0.00 4.02 -0.78 -0.51 117.16 115.64 1iru n TYR 121 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.92 1iru n TYR 121 Cb 0.12 -0.33 -0.06 0.00 -0.02 0.00 0.00 39.34 39.05 1iru n TYR 121 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1iru n THR 122 N -1.32 0.00 -0.06 -0.72 -2.24 -0.79 -4.45 114.28 104.71 1iru n THR 122 Ca 0.00 -0.23 -0.04 0.00 -2.27 0.00 0.00 64.05 61.51 1iru n THR 122 Cb 0.02 0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 69.10 1iru n THR 122 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1iru n GLN 123 N -1.29 1.32 -3.83 -0.78 7.27 0.33 -4.65 117.38 115.75 1iru n GLN 123 Ca 0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 57.00 56.96 1iru n GLN 123 Cb 0.18 -1.38 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 1iru n GLN 123 CO 0.00 0.00 0.00 -0.59 0.07 0.00 0.00 177.06 176.54 1iru s PHE 124 N -2.53 0.04 0.00 3.69 -0.12 -0.66 -4.97 117.98 113.43 1iru s PHE 124 Ca -0.07 -0.40 0.00 0.00 -0.05 0.00 0.00 56.93 56.41 1iru s PHE 124 Cb 0.06 0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.76 1iru s PHE 124 CO 0.62 -0.92 0.00 0.41 -0.05 0.00 0.00 175.22 175.28 1iru n GLY 125 N -0.34 2.98 2.68 1.99 0.00 -1.26 -4.45 105.19 106.80 1iru n GLY 125 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1iru n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iru n GLY 126 N -1.21 0.21 3.94 -0.02 0.00 -1.26 -4.98 105.19 101.87 1iru n GLY 126 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1iru n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iru s LYS 127 N -1.46 3.49 0.34 1.61 -0.14 -1.26 -4.50 119.74 117.82 1iru s LYS 127 Ca 0.00 -0.30 -0.21 0.00 -1.36 0.00 0.00 55.97 54.11 1iru s LYS 127 Cb 0.00 -2.65 -0.10 0.00 -1.68 0.00 0.00 37.83 33.40 1iru s LYS 127 CO 0.00 0.13 0.86 -0.98 -0.76 0.00 0.00 175.35 174.61 1iru s ARG 128 N -4.31 4.27 1.08 1.68 1.70 -1.26 -4.66 118.95 117.45 1iru s ARG 128 Ca 0.40 1.03 -0.15 0.00 -0.47 0.00 0.00 55.73 56.54 1iru s ARG 128 Cb -0.10 -2.51 0.23 0.00 -0.57 0.00 0.00 34.95 32.00 1iru s ARG 128 CO 0.36 0.16 1.11 -1.25 -1.08 0.00 0.00 175.30 174.60 1iru s PRO 129 N -2.64 -0.25 0.28 3.89 0.04 -1.26 -4.98 135.00 130.07 1iru s PRO 129 Ca 0.54 0.23 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 1iru s PRO 129 Cb -0.13 -1.68 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 1iru s PRO 129 CO 0.18 -3.13 0.89 -0.06 0.04 0.00 0.00 177.00 174.92 1iru s PHE 130 N -3.02 3.74 -1.21 0.56 0.40 -1.26 -4.95 117.98 112.24 1iru s PHE 130 Ca 0.68 1.71 -0.06 0.00 -0.60 0.00 0.00 56.93 58.66 1iru s PHE 130 Cb -0.14 -2.86 0.21 0.00 0.51 0.00 0.00 43.02 40.74 1iru s PHE 130 CO 0.57 0.29 1.87 0.41 0.70 0.00 0.00 175.22 179.06 1iru n GLY 131 N 0.80 5.11 3.12 4.36 0.00 -1.26 -4.63 105.19 112.69 1iru n GLY 131 Ca -0.00 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 1iru n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iru s VAL 132 N -1.25 0.05 -0.02 1.61 1.01 -1.26 -0.72 120.40 119.81 1iru s VAL 132 Ca 0.40 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.01 1iru s VAL 132 Cb 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.08 1iru s VAL 132 CO 0.00 -0.22 -0.09 -0.44 0.00 0.00 0.00 175.10 174.36 1iru s SER 133 N -0.80 1.17 0.10 3.32 0.01 -0.95 -2.63 113.70 113.91 1iru s SER 133 Ca -0.09 -0.18 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1iru s SER 133 Cb -0.05 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 1iru s SER 133 CO 0.01 0.07 -0.17 -0.76 0.41 0.00 0.00 173.24 172.80 1iru s LEU 134 N 0.16 2.32 -0.16 2.44 1.02 -0.50 -1.59 118.68 122.37 1iru s LEU 134 Ca -0.03 -0.69 -0.03 0.00 0.02 0.00 0.00 54.13 53.41 1iru s LEU 134 Cb -0.08 -0.67 -0.02 0.00 0.02 0.00 0.00 46.19 45.44 1iru s LEU 134 CO 0.00 -0.04 -0.07 -0.76 0.02 0.00 0.00 176.35 175.50 1iru s LEU 135 N -1.99 3.00 -0.09 1.79 1.43 -0.21 -0.62 118.68 121.99 1iru s LEU 135 Ca 0.04 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1iru s LEU 135 Cb -0.09 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 1iru s LEU 135 CO 0.03 0.13 -0.20 -0.31 0.23 0.00 0.00 176.35 176.23 1iru s TYR 136 N 0.58 2.61 0.01 0.29 1.51 0.23 -1.05 117.35 121.52 1iru s TYR 136 Ca -0.05 -0.75 0.02 0.00 -1.01 0.00 0.00 57.07 55.29 1iru s TYR 136 Cb -0.15 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1iru s TYR 136 CO 0.03 -0.24 -0.08 0.96 -1.11 0.00 0.00 175.55 175.11 1iru s ILE 137 N 0.08 0.60 -0.03 2.71 -4.36 -0.86 0.15 121.20 119.49 1iru s ILE 137 Ca -0.09 -0.47 -0.12 0.00 -0.26 0.00 0.00 60.65 59.72 1iru s ILE 137 Cb -0.15 -0.53 0.04 0.00 1.25 0.00 0.00 42.46 43.06 1iru s ILE 137 CO 0.06 0.07 0.52 0.61 0.24 0.00 0.00 174.94 176.44 1iru n GLY 138 N 2.62 0.31 2.92 6.27 0.00 -0.81 -2.19 105.19 114.31 1iru n GLY 138 Ca -0.15 -0.89 -0.16 0.00 0.00 0.00 0.00 46.02 44.83 1iru n GLY 138 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1iru s TRP 139 N -2.13 0.38 -0.16 1.61 -0.00 -0.50 -1.48 118.94 116.66 1iru s TRP 139 Ca 0.12 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.10 56.03 1iru s TRP 139 Cb -0.00 -0.29 0.05 0.00 -0.00 0.00 0.00 33.47 33.23 1iru s TRP 139 CO -0.01 -0.03 0.42 0.16 -0.00 0.00 0.00 176.95 177.48 1iru s ASP 140 N 0.12 -0.47 0.00 5.86 1.47 -0.54 -4.76 116.67 118.35 1iru s ASP 140 Ca -0.01 0.86 0.00 0.00 1.18 0.00 0.00 52.55 54.59 1iru s ASP 140 Cb -0.04 0.82 0.00 0.00 -0.34 0.00 0.00 42.92 43.36 1iru s ASP 140 CO -0.00 -0.16 0.00 2.29 0.68 0.00 0.00 175.17 177.97 1iru n LYS 141 N 3.43 0.00 -0.00 2.11 2.85 -1.26 0.04 118.16 125.33 1iru n LYS 141 Ca -0.17 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.08 1iru n LYS 141 Cb 0.56 -0.76 -0.00 0.00 -0.65 0.00 0.00 35.03 34.18 1iru n LYS 141 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1iru n HIS 142 N 0.17 0.00 -2.15 5.58 8.25 -1.26 -4.83 115.22 120.98 1iru n HIS 142 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1iru n HIS 142 Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 1iru n HIS 142 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1iru n TYR 143 N -2.38 0.00 0.00 4.41 4.02 -0.35 -5.11 117.16 117.75 1iru n TYR 143 Ca -0.01 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1iru n TYR 143 Cb 0.51 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1iru n TYR 143 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1iru n GLY 144 N 0.15 2.07 3.75 2.72 0.00 0.11 -4.31 105.19 109.67 1iru n GLY 144 Ca 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 1iru n GLY 144 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iru s PHE 145 N 0.00 3.62 -0.01 1.61 0.40 -1.26 -1.47 117.98 120.88 1iru s PHE 145 Ca 0.00 1.67 -0.18 0.00 -0.60 0.00 0.00 56.93 57.81 1iru s PHE 145 Cb 0.00 -3.25 0.03 0.00 0.51 0.00 0.00 43.02 40.31 1iru s PHE 145 CO 0.00 -0.49 0.40 -0.65 0.70 0.00 0.00 175.22 175.18 1iru s GLN 146 N -0.87 0.79 -0.05 0.44 -0.21 -0.55 -4.99 119.66 114.23 1iru s GLN 146 Ca 0.47 -0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.72 1iru s GLN 146 Cb -0.30 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.07 1iru s GLN 146 CO 0.37 -0.24 -0.15 -1.17 -2.12 0.00 0.00 175.29 171.99 1iru s LEU 147 N -1.46 1.82 0.11 2.90 2.96 -1.25 -1.92 118.68 121.83 1iru s LEU 147 Ca -0.11 -0.32 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1iru s LEU 147 Cb -0.03 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1iru s LEU 147 CO 0.04 0.10 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.74 1iru s TYR 148 N 0.28 1.24 0.00 5.38 1.51 0.40 -0.65 117.35 125.51 1iru s TYR 148 Ca -0.08 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1iru s TYR 148 Cb -0.13 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.06 1iru s TYR 148 CO 0.03 0.08 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.30 1iru s GLN 149 N -2.81 0.84 0.00 -0.62 0.74 -0.21 0.77 119.66 118.38 1iru s GLN 149 Ca 0.08 -0.44 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1iru s GLN 149 Cb -0.03 -0.81 -0.01 0.00 1.10 0.00 0.00 33.01 33.25 1iru s GLN 149 CO 0.02 0.22 -0.09 -1.54 -0.55 0.00 0.00 175.29 173.35 1iru s SER 150 N -0.42 1.01 0.21 6.67 1.04 0.21 -2.03 113.70 120.39 1iru s SER 150 Ca 0.03 -0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.31 1iru s SER 150 Cb -0.05 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 1iru s SER 150 CO -0.00 0.06 0.09 -1.81 0.98 0.00 0.00 173.24 172.55 1iru s ASP 151 N -0.45 5.13 0.00 7.02 1.01 0.91 -1.41 116.67 128.88 1iru s ASP 151 Ca 0.01 -0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.03 1iru s ASP 151 Cb -0.04 -1.20 0.50 0.00 1.01 0.00 0.00 42.92 43.19 1iru s ASP 151 CO -0.00 0.04 0.94 -0.81 0.21 0.00 0.00 175.17 175.54 1iru n PRO 152 N -0.57 0.28 0.05 8.23 -0.04 -1.08 -0.95 135.00 140.92 1iru n PRO 152 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1iru n PRO 152 Cb 0.56 -1.46 0.33 0.00 -0.04 0.00 0.00 33.50 32.90 1iru n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1iru n SER 153 N -0.96 0.58 0.00 3.54 3.41 -1.26 -4.66 113.62 114.27 1iru n SER 153 Ca 0.06 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1iru n SER 153 Cb 0.03 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 1iru n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iru n GLY 154 N 1.38 1.03 3.64 5.00 0.00 -0.13 -4.25 105.19 111.86 1iru n GLY 154 Ca 0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 1iru n GLY 154 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1iru s ASN 155 N -2.49 4.73 0.23 1.61 3.04 -1.21 -4.73 114.94 116.13 1iru s ASN 155 Ca 0.00 -0.29 -0.15 0.00 0.04 0.00 0.00 52.86 52.46 1iru s ASN 155 Cb 0.00 -1.02 0.01 0.00 -1.54 0.00 0.00 41.25 38.70 1iru s ASN 155 CO 0.00 0.17 0.53 -0.72 -3.04 0.00 0.00 177.10 174.04 1iru s TYR 156 N -1.29 0.12 -0.05 0.43 -0.85 -1.26 -0.06 117.35 114.39 1iru s TYR 156 Ca 0.24 -0.50 -0.29 0.00 -0.52 0.00 0.00 57.07 56.00 1iru s TYR 156 Cb -0.11 0.34 0.11 0.00 0.38 0.00 0.00 41.96 42.67 1iru s TYR 156 CO 0.16 -1.01 0.89 0.20 -1.52 0.00 0.00 175.55 174.28 1iru s GLY 157 N -2.96 -0.42 -0.16 5.49 0.00 -0.86 -4.99 107.32 103.42 1iru s GLY 157 Ca 0.16 1.31 -0.14 0.00 0.00 0.00 0.00 44.72 46.05 1iru s GLY 157 CO 0.05 0.58 0.31 -0.32 0.00 0.00 0.00 173.10 173.71 1iru s GLY 158 N -2.00 2.21 -0.01 0.20 0.00 -1.26 -1.04 107.32 105.42 1iru s GLY 158 Ca 0.02 -0.45 0.08 0.00 0.00 0.00 0.00 44.72 44.37 1iru s GLY 158 CO -0.05 0.48 -0.25 -0.98 0.00 0.00 0.00 173.10 172.30 1iru s TRP 159 N 0.54 2.36 -0.15 1.90 0.52 0.18 -4.96 118.94 119.32 1iru s TRP 159 Ca 0.17 -0.41 0.24 0.00 0.02 0.00 0.00 56.10 56.12 1iru s TRP 159 Cb -0.13 -1.50 0.60 0.00 -1.15 0.00 0.00 33.47 31.29 1iru s TRP 159 CO 0.04 0.00 1.69 0.87 0.02 0.00 0.00 176.95 179.58 1iru h LYS 160 N 5.38 0.00 -1.44 4.98 1.57 -1.92 -3.35 116.57 121.78 1iru h LYS 160 Ca -0.44 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.44 1iru h LYS 160 Cb 1.13 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.15 1iru h LYS 160 CO 0.47 0.16 0.57 0.00 -0.57 0.00 0.00 179.45 180.08 1iru s ALA 161 N -3.34 -2.07 0.10 3.86 0.00 -1.26 0.75 121.76 119.80 1iru s ALA 161 Ca 0.04 1.85 -0.26 0.00 0.00 0.00 0.00 51.96 53.58 1iru s ALA 161 Cb 0.07 -1.56 0.08 0.00 0.00 0.00 0.00 23.12 21.72 1iru s ALA 161 CO 0.65 -0.21 1.08 -0.08 0.00 0.00 0.00 175.76 177.21 1iru s THR 162 N 0.26 0.00 0.05 0.00 -1.32 -0.72 -5.02 115.64 108.88 1iru s THR 162 Ca 0.03 -0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.99 1iru s THR 162 Cb -0.05 -2.13 -0.04 0.00 -1.51 0.00 0.00 72.50 68.78 1iru s THR 162 CO -0.09 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.29 1iru s ILE 164 N -3.57 0.06 0.00 0.00 -1.09 0.33 -4.92 121.20 112.01 1iru s ILE 164 Ca 0.04 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1iru s ILE 164 Cb 0.05 -0.36 0.00 0.00 -1.58 0.00 0.00 42.46 40.58 1iru s ILE 164 CO -0.09 -0.28 0.00 0.61 -1.23 0.00 0.00 174.94 173.96 1iru n GLY 165 N 1.92 0.04 3.75 6.18 0.00 -1.26 0.67 105.19 116.50 1iru n GLY 165 Ca -0.20 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.47 1iru n GLY 165 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1iru n ASN 166 N 0.00 3.60 -3.03 1.61 5.15 -0.87 -2.17 115.26 119.56 1iru n ASN 166 Ca 0.00 1.21 -0.16 0.00 -0.60 0.00 0.00 54.58 55.03 1iru n ASN 166 Cb 0.00 -1.59 -0.01 0.00 -0.53 0.00 0.00 39.78 37.65 1iru n ASN 166 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1iru n ASN 167 N 0.82 -2.80 -0.94 1.20 3.02 -1.26 -4.70 115.26 110.59 1iru n ASN 167 Ca 0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1iru n ASN 167 Cb 0.38 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.15 1iru n ASN 167 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1iru n SER 168 N -1.97 1.05 0.00 6.41 2.88 -0.92 -1.45 113.62 119.62 1iru n SER 168 Ca -0.03 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1iru n SER 168 Cb 0.54 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1iru n SER 168 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1iru n ALA 169 N 0.75 2.40 0.17 -1.46 0.00 -1.26 -4.44 120.51 116.66 1iru n ALA 169 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1iru n ALA 169 Cb 0.18 0.40 0.28 0.00 0.00 0.00 0.00 19.45 20.31 1iru n ALA 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iru h ALA 170 N 0.00 1.18 -0.23 0.00 0.00 -1.62 -2.90 119.26 115.69 1iru h ALA 170 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 1iru h ALA 170 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1iru h ALA 170 CO 0.00 0.59 -0.48 0.00 0.00 0.00 0.00 179.25 179.37 1iru h ALA 171 N 1.53 0.37 -1.48 0.00 0.00 -1.75 -3.04 119.26 114.89 1iru h ALA 171 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1iru h ALA 171 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1iru h ALA 171 CO 0.06 0.53 0.00 0.28 0.00 0.00 0.00 179.25 180.13 1iru n VAL 172 N -4.13 0.00 -0.30 0.00 0.31 -1.12 -2.33 118.33 110.76 1iru n VAL 172 Ca -0.05 1.20 0.24 0.00 -0.01 0.00 0.00 64.34 65.72 1iru n VAL 172 Cb 0.58 -2.18 0.45 0.00 -0.91 0.00 0.00 33.84 31.79 1iru n VAL 172 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1iru n SER 173 N -1.26 0.19 0.42 4.52 3.41 -1.11 0.92 113.62 120.72 1iru n SER 173 Ca 0.00 1.51 -0.20 0.00 -0.26 0.00 0.00 58.87 59.92 1iru n SER 173 Cb 0.00 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.17 1iru n SER 173 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1iru h MET 174 N 0.00 -1.16 -0.64 4.33 -1.53 -1.52 -2.66 114.93 111.75 1iru h MET 174 Ca 0.70 0.08 -0.03 0.00 -3.44 0.00 0.00 59.70 57.01 1iru h MET 174 Cb 1.76 0.26 -0.03 0.00 -0.55 0.00 0.00 31.60 33.05 1iru h MET 174 CO -0.74 -0.77 0.27 -0.07 0.14 0.00 0.00 176.91 175.74 1iru h LEU 175 N -1.20 0.85 -0.38 3.39 3.38 -0.14 -1.22 115.31 119.98 1iru h LEU 175 Ca -0.10 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1iru h LEU 175 Cb 0.97 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1iru h LEU 175 CO 0.09 0.75 0.21 1.17 0.09 0.00 0.00 178.44 180.75 1iru n LYS 176 N -4.32 0.04 0.00 1.13 4.81 0.26 -1.27 118.16 118.81 1iru n LYS 176 Ca 0.06 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 1iru n LYS 176 Cb 0.16 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1iru n LYS 176 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1iru n GLN 177 N -1.63 2.21 -0.65 1.64 6.02 -0.91 -4.76 117.38 119.30 1iru n GLN 177 Ca -0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 1iru n GLN 177 Cb 0.22 -0.84 0.31 0.00 1.02 0.00 0.00 30.24 30.95 1iru n GLN 177 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1iru n ASP 178 N -1.65 4.50 -4.63 1.08 10.43 -0.51 -4.91 116.55 120.86 1iru n ASP 178 Ca 0.00 -2.62 -0.36 0.00 2.57 0.00 0.00 54.79 54.39 1iru n ASP 178 Cb 0.34 -0.61 -0.10 0.00 1.84 0.00 0.00 41.12 42.60 1iru n ASP 178 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1iru s TYR 179 N -2.20 3.28 -1.24 1.24 2.02 -0.40 -4.95 117.35 115.09 1iru s TYR 179 Ca 0.43 0.11 -0.19 0.00 -0.37 0.00 0.00 57.07 57.04 1iru s TYR 179 Cb 0.31 -2.19 -0.00 0.00 -0.40 0.00 0.00 41.96 39.67 1iru s TYR 179 CO 0.15 0.06 1.87 0.36 -1.57 0.00 0.00 175.55 176.43 1iru n LYS 180 N 4.05 2.52 -1.60 -0.62 0.00 -1.26 -4.91 118.16 116.33 1iru n LYS 180 Ca -0.16 -2.83 -0.14 0.00 -0.00 0.00 0.00 58.31 55.17 1iru n LYS 180 Cb 0.52 -3.50 -0.09 0.00 -0.00 0.00 0.00 35.03 31.95 1iru n LYS 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1iru s GLU 181 N 4.89 1.37 0.00 -1.58 2.12 -1.26 -1.31 118.70 122.93 1iru s GLU 181 Ca 0.58 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.87 1iru s GLU 181 Cb 0.04 -4.90 0.00 0.00 0.26 0.00 0.00 34.13 29.53 1iru s GLU 181 CO 0.08 -5.04 0.00 0.41 -0.54 0.00 0.00 175.26 170.18 1iru n GLY 182 N 6.44 1.52 2.52 -1.50 0.00 -1.26 -5.00 105.19 107.91 1iru n GLY 182 Ca 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 1iru n GLY 182 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1iru n GLU 183 N -0.17 2.48 -4.22 1.61 1.02 -0.43 -5.04 120.64 115.88 1iru n GLU 183 Ca 0.00 -3.91 -0.35 0.00 -0.02 0.00 0.00 57.16 52.88 1iru n GLU 183 Cb 0.00 -1.83 -0.09 0.00 -0.02 0.00 0.00 31.44 29.49 1iru n GLU 183 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1iru s MET 184 N -3.44 3.33 0.19 3.49 1.00 -1.23 -4.86 119.30 117.79 1iru s MET 184 Ca 0.39 -0.36 0.08 0.00 0.00 0.00 0.00 55.69 55.80 1iru s MET 184 Cb 0.41 -2.95 -0.04 0.00 0.00 0.00 0.00 34.83 32.25 1iru s MET 184 CO -0.06 0.58 -0.06 0.95 0.00 0.00 0.00 175.02 176.43 1iru s THR 185 N -0.52 3.38 0.66 2.05 -4.23 -1.26 -2.03 115.64 113.70 1iru s THR 185 Ca 0.10 -1.62 0.35 0.00 -1.18 0.00 0.00 61.69 59.34 1iru s THR 185 Cb -0.12 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.38 1iru s THR 185 CO 0.02 -0.14 2.09 0.25 -0.54 0.00 0.00 174.62 176.30 1iru h LEU 186 N 2.73 0.00 0.05 4.79 5.85 -1.91 0.35 115.31 127.17 1iru h LEU 186 Ca -0.46 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.12 1iru h LEU 186 Cb 1.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1iru h LEU 186 CO 0.56 0.00 -0.69 0.50 -0.34 0.00 0.00 178.44 178.47 1iru h LYS 187 N 0.00 0.11 0.00 1.25 1.63 -1.98 -2.03 116.57 115.54 1iru h LYS 187 Ca 0.01 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1iru h LYS 187 Cb 0.44 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1iru h LYS 187 CO -0.00 1.09 0.00 0.66 -3.45 0.00 0.00 179.45 177.75 1iru h SER 188 N -0.74 0.00 0.05 4.20 4.64 -1.51 -2.01 113.55 118.19 1iru h SER 188 Ca -0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1iru h SER 188 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1iru h SER 188 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1iru h ALA 189 N 2.14 -0.09 0.00 5.18 0.00 -0.42 -3.17 119.26 122.91 1iru h ALA 189 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iru h ALA 189 Cb 0.34 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1iru h ALA 189 CO 0.00 -0.08 0.55 -0.07 0.00 0.00 0.00 179.25 179.65 1iru h LEU 190 N -0.81 0.00 0.00 0.00 3.38 -1.21 -1.09 115.31 115.58 1iru h LEU 190 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1iru h LEU 190 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1iru h LEU 190 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1iru n ALA 191 N -1.71 -0.39 -0.13 1.53 0.00 -0.77 -2.78 120.51 116.26 1iru n ALA 191 Ca -0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.68 1iru n ALA 191 Cb 0.58 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.73 1iru n ALA 191 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1iru h LEU 192 N 0.00 0.02 0.00 0.00 3.38 -1.26 -2.54 115.31 114.91 1iru h LEU 192 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1iru h LEU 192 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1iru h LEU 192 CO 0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1iru n ALA 193 N -2.68 -0.20 0.25 1.53 0.00 -0.85 0.86 120.51 119.42 1iru n ALA 193 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.69 1iru n ALA 193 Cb 0.84 0.27 0.64 0.00 0.00 0.00 0.00 19.45 21.21 1iru n ALA 193 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1iru h ILE 194 N 0.00 0.85 -0.01 0.00 -2.65 -1.33 -0.70 117.51 113.67 1iru h ILE 194 Ca 0.00 -0.47 -0.00 0.00 1.03 0.00 0.00 64.86 65.41 1iru h ILE 194 Cb 0.00 1.27 -0.00 0.00 -2.05 0.00 0.00 36.82 36.04 1iru h ILE 194 CO 0.00 0.12 -0.00 0.50 0.03 0.00 0.00 178.15 178.80 1iru h LYS 195 N 0.00 0.01 -0.07 0.16 3.64 -0.98 -1.42 116.57 117.92 1iru h LYS 195 Ca -0.00 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.18 1iru h LYS 195 Cb 0.26 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1iru h LYS 195 CO 0.02 0.39 -0.79 0.28 -2.27 0.00 0.00 179.45 177.08 1iru h VAL 196 N -0.36 1.37 -0.07 2.00 2.07 0.68 -3.02 116.25 118.92 1iru h VAL 196 Ca 0.00 -2.20 -0.11 0.00 0.82 0.00 0.00 66.70 65.21 1iru h VAL 196 Cb 0.38 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1iru h VAL 196 CO 0.00 0.66 -0.47 -0.07 0.02 0.00 0.00 177.57 177.71 1iru h LEU 197 N 0.29 0.18 -1.15 2.57 4.07 -1.18 -1.44 115.31 118.65 1iru h LEU 197 Ca -0.04 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.76 1iru h LEU 197 Cb 1.38 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 1iru h LEU 197 CO 0.14 0.63 -0.16 -1.13 -1.08 0.00 0.00 178.44 176.83 1iru h ASN 198 N 0.13 0.38 0.00 -0.43 -1.24 -1.23 -3.32 115.58 109.88 1iru h ASN 198 Ca 0.01 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1iru h ASN 198 Cb 0.89 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1iru h ASN 198 CO 0.07 0.57 0.00 1.17 -1.29 0.00 0.00 177.43 177.95 1iru n LYS 199 N -4.20 0.00 -2.04 6.67 3.00 -0.94 -4.48 118.16 116.18 1iru n LYS 199 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 58.04 1iru n LYS 199 Cb 0.33 -0.48 -0.06 0.00 0.00 0.00 0.00 35.03 34.82 1iru n LYS 199 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1iru s THR 200 N -0.20 3.48 0.00 3.15 -4.23 -0.58 -4.51 115.64 112.74 1iru s THR 200 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1iru s THR 200 Cb 0.00 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.57 1iru s THR 200 CO 0.00 -0.93 0.00 0.23 -0.54 0.00 0.00 174.62 173.38 1iru n MET 201 N 8.55 0.00 -0.75 3.99 2.81 -1.25 -4.71 117.12 125.76 1iru n MET 201 Ca 0.43 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.94 1iru n MET 201 Cb 0.47 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.86 1iru n MET 201 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1iru n ASP 202 N 0.00 1.03 -3.74 7.83 2.03 -1.26 -4.71 116.55 117.73 1iru n ASP 202 Ca 0.00 -2.46 -0.12 0.00 0.52 0.00 0.00 54.79 52.72 1iru n ASP 202 Cb 0.00 -0.77 -0.11 0.00 -0.72 0.00 0.00 41.12 39.52 1iru n ASP 202 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iru s VAL 203 N 9.27 -0.01 -0.23 5.18 1.01 -1.26 -5.14 120.40 129.21 1iru s VAL 203 Ca 0.71 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 1iru s VAL 203 Cb 0.10 -0.47 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 1iru s VAL 203 CO 0.31 0.02 0.14 -0.55 0.00 0.00 0.00 175.10 175.02 1iru s SER 204 N 0.62 6.03 -0.87 3.32 0.15 -1.26 -4.19 113.70 117.49 1iru s SER 204 Ca -0.04 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.68 1iru s SER 204 Cb -0.05 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1iru s SER 204 CO -0.04 0.09 0.52 0.29 1.20 0.00 0.00 173.24 175.30 1iru n LYS 205 N 4.14 -3.78 0.00 5.44 4.01 -1.26 -4.58 118.16 122.13 1iru n LYS 205 Ca -0.15 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.17 1iru n LYS 205 Cb 0.52 -4.59 0.00 0.00 -0.51 0.00 0.00 35.03 30.45 1iru n LYS 205 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1iru n LEU 206 N -2.82 0.00 -4.36 -0.35 7.94 -1.26 -4.79 117.00 111.37 1iru n LEU 206 Ca -0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.54 1iru n LEU 206 Cb 0.56 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.64 1iru n LEU 206 CO 0.33 0.00 -0.29 -1.54 -1.11 0.00 0.00 177.39 174.78 1iru n SER 207 N 0.00 -2.35 0.16 1.96 3.41 -1.26 -4.90 113.62 110.64 1iru n SER 207 Ca 0.00 0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.83 1iru n SER 207 Cb 0.00 -1.11 0.37 0.00 -0.26 0.00 0.00 64.21 63.21 1iru n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iru h ALA 208 N -1.67 1.42 0.02 7.33 0.00 -1.93 -3.14 119.26 121.29 1iru h ALA 208 Ca -0.46 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 53.94 1iru h ALA 208 Cb 1.30 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.05 1iru h ALA 208 CO 0.35 0.42 -0.89 1.49 0.00 0.00 0.00 179.25 180.61 1iru h GLU 209 N 0.09 0.58 -0.13 0.00 4.81 -1.96 -3.23 114.58 114.74 1iru h GLU 209 Ca 0.01 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1iru h GLU 209 Cb 0.55 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1iru h GLU 209 CO 0.04 1.25 0.00 1.63 -0.73 0.00 0.00 179.01 181.20 1iru n LYS 210 N -3.99 0.13 -3.60 1.92 5.02 -1.19 -4.53 118.16 111.92 1iru n LYS 210 Ca -0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1iru n LYS 210 Cb 0.81 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.71 1iru n LYS 210 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1iru s VAL 211 N -1.05 0.04 -0.04 -0.18 -7.23 -1.22 -3.43 120.40 107.29 1iru s VAL 211 Ca 0.00 -0.35 -0.01 0.00 -1.81 0.00 0.00 61.98 59.81 1iru s VAL 211 Cb 0.00 -1.02 0.03 0.00 0.56 0.00 0.00 36.38 35.95 1iru s VAL 211 CO 0.00 -0.19 0.01 -0.70 -0.31 0.00 0.00 175.10 173.91 1iru s GLU 212 N -2.88 0.35 0.06 4.82 2.56 -0.61 -4.72 118.70 118.28 1iru s GLU 212 Ca -0.03 0.14 0.09 0.00 0.00 0.00 0.00 54.97 55.17 1iru s GLU 212 Cb -0.00 -0.66 -0.03 0.00 2.00 0.00 0.00 34.13 35.44 1iru s GLU 212 CO -0.05 -0.22 -0.25 0.42 -0.56 0.00 0.00 175.26 174.59 1iru s ILE 213 N 1.53 2.07 -0.11 -3.70 1.01 -1.26 -1.78 121.20 118.95 1iru s ILE 213 Ca -0.02 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.09 1iru s ILE 213 Cb -0.13 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1iru s ILE 213 CO -0.03 0.29 0.34 0.00 0.00 0.00 0.00 174.94 175.54 1iru s ALA 214 N -0.85 -0.84 0.03 9.38 0.00 -0.65 -2.10 121.76 126.74 1iru s ALA 214 Ca 0.11 0.87 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1iru s ALA 214 Cb -0.10 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1iru s ALA 214 CO 0.03 -0.18 -0.10 0.95 0.00 0.00 0.00 175.76 176.46 1iru s THR 215 N -0.04 0.73 -0.11 0.00 -4.23 0.19 -1.02 115.64 111.17 1iru s THR 215 Ca -0.02 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 1iru s THR 215 Cb -0.03 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 73.12 1iru s THR 215 CO 0.01 -0.07 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.57 1iru s LEU 216 N -0.96 2.06 0.10 4.79 0.20 0.17 -2.07 118.68 122.98 1iru s LEU 216 Ca -0.02 -0.56 -0.07 0.00 0.69 0.00 0.00 54.13 54.17 1iru s LEU 216 Cb -0.07 -1.38 -0.01 0.00 -0.43 0.00 0.00 46.19 44.30 1iru s LEU 216 CO 0.01 0.12 0.17 0.42 -0.29 0.00 0.00 176.35 176.77 1iru s THR 217 N 0.57 0.13 0.77 3.68 -4.23 -0.02 -1.79 115.64 114.75 1iru s THR 217 Ca -0.14 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 1iru s THR 217 Cb -0.17 -1.54 0.07 0.00 1.34 0.00 0.00 72.50 72.20 1iru s THR 217 CO 0.04 -0.61 1.12 -0.60 -0.54 0.00 0.00 174.62 174.03 1iru s ARG 218 N -3.91 2.09 0.00 3.99 6.06 -1.26 0.33 118.95 126.24 1iru s ARG 218 Ca 0.10 -0.00 0.00 0.00 -2.50 0.00 0.00 55.73 53.32 1iru s ARG 218 Cb 0.05 -2.03 0.00 0.00 0.06 0.00 0.00 34.95 33.03 1iru s ARG 218 CO -0.07 -1.44 0.00 0.39 -2.50 0.00 0.00 175.30 171.68 1iru n GLU 219 N -3.16 0.00 -3.10 5.12 1.02 -1.23 -4.74 120.64 114.55 1iru n GLU 219 Ca 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.08 1iru n GLU 219 Cb 0.61 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 32.09 1iru n GLU 219 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1iru n ASN 220 N 0.00 -5.36 0.00 1.62 4.05 -1.26 -4.28 115.26 110.03 1iru n ASN 220 Ca 0.00 -0.62 0.00 0.00 0.45 0.00 0.00 54.58 54.41 1iru n ASN 220 Cb 0.00 -4.68 0.00 0.00 1.23 0.00 0.00 39.78 36.33 1iru n ASN 220 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1iru n GLY 221 N -1.23 1.09 3.62 8.20 0.00 -1.26 -4.99 105.19 110.62 1iru n GLY 221 Ca -0.10 -0.56 -0.47 0.00 0.00 0.00 0.00 46.02 44.89 1iru n GLY 221 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1iru n LYS 222 N 0.00 1.59 -2.40 1.61 2.85 -1.26 -4.95 118.16 115.60 1iru n LYS 222 Ca 0.00 0.57 -0.35 0.00 -1.05 0.00 0.00 58.31 57.48 1iru n LYS 222 Cb 0.00 -2.18 -0.02 0.00 -0.65 0.00 0.00 35.03 32.19 1iru n LYS 222 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1iru s THR 223 N 0.08 3.46 -0.07 0.58 2.01 -1.26 -3.51 115.64 116.93 1iru s THR 223 Ca 0.74 0.96 0.05 0.00 0.31 0.00 0.00 61.69 63.74 1iru s THR 223 Cb -0.77 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 1iru s THR 223 CO 0.49 -0.15 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.36 1iru s VAL 224 N -1.81 1.87 -0.11 3.82 1.01 0.15 -4.97 120.40 120.35 1iru s VAL 224 Ca 0.68 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1iru s VAL 224 Cb -0.21 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1iru s VAL 224 CO 0.25 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 175.13 1iru s ILE 225 N 0.14 1.25 0.00 2.22 1.01 -1.26 -0.84 121.20 123.73 1iru s ILE 225 Ca -0.11 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 59.97 1iru s ILE 225 Cb -0.15 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.13 1iru s ILE 225 CO 0.05 0.40 0.24 0.00 0.00 0.00 0.00 174.94 175.63 1iru s ARG 226 N 1.37 0.61 -0.22 2.79 1.70 -0.88 -5.00 118.95 119.32 1iru s ARG 226 Ca -0.00 -0.33 -0.04 0.00 -0.47 0.00 0.00 55.73 54.89 1iru s ARG 226 Cb -0.13 0.26 -0.01 0.00 -0.57 0.00 0.00 34.95 34.50 1iru s ARG 226 CO -0.06 -0.16 -0.03 0.14 -1.08 0.00 0.00 175.30 174.11 1iru s VAL 227 N -1.52 3.50 0.26 4.99 -7.23 -1.26 -0.63 120.40 118.51 1iru s VAL 227 Ca -0.13 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 1iru s VAL 227 Cb -0.06 -2.60 -0.14 0.00 0.56 0.00 0.00 36.38 34.14 1iru s VAL 227 CO 0.02 0.41 1.04 0.18 -0.31 0.00 0.00 175.10 176.44 1iru n LEU 228 N 4.81 1.70 -4.85 1.32 4.77 -0.89 -4.97 117.00 118.90 1iru n LEU 228 Ca -0.18 1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 1iru n LEU 228 Cb 0.51 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 40.33 1iru n LEU 228 CO 0.29 -1.40 0.70 -1.59 -1.33 0.00 0.00 177.39 174.07 1iru s LYS 229 N -1.27 3.64 0.08 3.23 0.00 -1.26 -4.78 119.74 119.38 1iru s LYS 229 Ca 0.62 0.89 -0.16 0.00 0.00 0.00 0.00 55.97 57.32 1iru s LYS 229 Cb -0.73 -2.09 -0.04 0.00 0.00 0.00 0.00 37.83 34.97 1iru s LYS 229 CO 0.58 -0.53 0.95 1.04 0.00 0.00 0.00 175.35 177.39 1iru n GLN 230 N -2.27 -0.22 0.13 1.78 1.13 -1.26 -1.23 117.38 115.44 1iru n GLN 230 Ca 0.07 0.93 -0.11 0.00 -1.94 0.00 0.00 57.00 55.95 1iru n GLN 230 Cb 0.54 -1.38 -0.06 0.00 0.11 0.00 0.00 30.24 29.45 1iru n GLN 230 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1iru h LYS 231 N 0.00 -0.52 -1.25 -1.09 5.09 -2.01 -1.79 116.57 115.00 1iru h LYS 231 Ca 0.08 0.04 0.36 0.00 0.09 0.00 0.00 60.65 61.22 1iru h LYS 231 Cb 0.21 0.12 -0.05 0.00 0.10 0.00 0.00 32.23 32.61 1iru h LYS 231 CO -0.48 -0.35 1.20 1.49 -2.09 0.00 0.00 179.45 179.22 1iru h GLU 232 N -0.54 0.00 0.27 0.07 4.81 -1.53 0.91 114.58 118.57 1iru h GLU 232 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1iru h GLU 232 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1iru h GLU 232 CO -0.10 0.00 -0.13 0.28 -0.73 0.00 0.00 179.01 178.33 1iru h VAL 233 N 0.00 0.00 -1.14 0.32 2.07 -0.38 -3.31 116.25 113.80 1iru h VAL 233 Ca 0.59 -0.43 0.33 0.00 0.82 0.00 0.00 66.70 68.02 1iru h VAL 233 Cb 2.98 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 1iru h VAL 233 CO -0.01 0.00 0.82 -0.33 0.02 0.00 0.00 177.57 178.07 1iru h GLU 234 N -0.79 0.01 -0.80 1.57 5.08 -0.63 0.87 114.58 119.89 1iru h GLU 234 Ca -0.04 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1iru h GLU 234 Cb 0.28 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1iru h GLU 234 CO 0.06 0.00 0.40 1.96 -1.00 0.00 0.00 179.01 180.44 1iru h GLN 235 N 0.01 0.60 0.00 2.33 4.20 -1.56 0.58 115.11 121.27 1iru h GLN 235 Ca 0.54 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1iru h GLN 235 Cb 2.17 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.81 1iru h GLN 235 CO -0.01 0.40 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.41 1iru h LEU 236 N 0.62 0.00 0.45 1.46 -0.00 -0.99 -1.18 115.31 115.67 1iru h LEU 236 Ca 0.42 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.27 1iru h LEU 236 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 1iru h LEU 236 CO -0.33 0.00 -0.21 0.40 -0.00 0.00 0.00 178.44 178.30 1iru h ILE 237 N 0.00 0.00 -0.29 1.22 2.04 0.30 -2.63 117.51 118.14 1iru h ILE 237 Ca 0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1iru h ILE 237 Cb 0.90 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1iru h ILE 237 CO 0.00 0.00 0.18 0.11 0.00 0.00 0.00 178.15 178.44 1iru h LYS 238 N -0.91 0.40 -0.98 2.37 1.57 -0.58 -2.63 116.57 115.81 1iru h LYS 238 Ca -0.06 -0.04 0.25 0.00 -1.87 0.00 0.00 60.65 58.93 1iru h LYS 238 Cb 0.46 -0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.56 1iru h LYS 238 CO 0.10 0.32 0.54 -0.22 -0.57 0.00 0.00 179.45 179.62 1iru h LYS 239 N 0.37 0.50 0.87 3.15 3.11 -1.30 1.19 116.57 124.46 1iru h LYS 239 Ca 0.11 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.87 1iru h LYS 239 Cb 0.02 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1iru h LYS 239 CO -0.02 0.33 -0.42 1.25 -2.81 0.00 0.00 179.45 177.78 1iru h HIS 240 N 0.51 -1.08 0.09 1.91 2.76 -1.08 -3.30 115.15 114.95 1iru h HIS 240 Ca 0.63 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.77 1iru h HIS 240 Cb 1.23 0.36 0.00 0.00 1.55 0.00 0.00 27.41 30.55 1iru h HIS 240 CO -0.04 -0.67 -0.04 0.93 -1.30 0.00 0.00 177.93 176.81 1iru h GLU 241 N -1.24 -0.11 -2.91 5.26 5.08 -1.28 -2.42 114.58 116.95 1iru h GLU 241 Ca -0.12 0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.07 1iru h GLU 241 Cb 0.89 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1iru h GLU 241 CO 0.20 0.21 0.98 0.39 -1.00 0.00 0.00 179.01 179.79 1iru n GLU 242 N -4.99 1.28 0.00 2.33 1.02 0.40 0.11 120.64 120.80 1iru n GLU 242 Ca -0.08 -0.81 0.00 0.00 -0.02 0.00 0.00 57.16 56.25 1iru n GLU 242 Cb 0.20 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.63 1iru n GLU 242 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1iru n GLU 243 N 3.37 0.00 0.02 3.49 -0.00 -1.21 -4.75 120.64 121.55 1iru n GLU 243 Ca 0.27 0.00 -0.18 0.00 -0.00 0.00 0.00 57.16 57.25 1iru n GLU 243 Cb 0.31 0.00 -0.12 0.00 -0.00 0.00 0.00 31.44 31.63 1iru n GLU 243 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1iru h GLU 244 N 0.00 0.40 0.00 3.44 4.57 0.14 -2.44 114.58 120.69 1iru h GLU 244 Ca 0.00 -0.47 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 1iru h GLU 244 Cb 0.00 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1iru h GLU 244 CO 0.00 1.14 -0.11 0.00 -1.18 0.00 0.00 179.01 178.86 1iru h ALA 245 N 0.27 1.20 -0.00 2.92 0.00 -1.82 0.26 119.26 122.09 1iru h ALA 245 Ca -0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1iru h ALA 245 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1iru h ALA 245 CO 0.13 0.14 -0.08 1.17 0.00 0.00 0.00 179.25 180.61 1iru n LYS 246 N -3.52 0.04 0.04 0.00 4.81 -1.16 -3.15 118.16 115.22 1iru n LYS 246 Ca -0.01 -0.01 0.11 0.00 -0.87 0.00 0.00 58.31 57.53 1iru n LYS 246 Cb 0.25 -1.50 0.02 0.00 0.02 0.00 0.00 35.03 33.83 1iru n LYS 246 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1iru n ALA 247 N -1.48 3.21 1.10 3.14 0.00 0.90 -3.85 120.51 123.53 1iru n ALA 247 Ca 0.07 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.26 1iru n ALA 247 Cb 0.33 -1.00 0.14 0.00 0.00 0.00 0.00 19.45 18.93 1iru n ALA 247 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1iru n GLU 248 N -2.08 1.18 -0.26 0.00 0.28 -1.10 -3.72 120.64 114.95 1iru n GLU 248 Ca 0.01 -0.90 0.07 0.00 -0.16 0.00 0.00 57.16 56.18 1iru n GLU 248 Cb 0.46 -1.48 0.20 0.00 1.43 0.00 0.00 31.44 32.04 1iru n GLU 248 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1iru n ARG 249 N -0.12 2.16 -0.03 3.44 1.74 -1.24 -3.63 116.66 118.97 1iru n ARG 249 Ca 0.11 -1.59 -0.04 0.00 -0.77 0.00 0.00 57.85 55.56 1iru n ARG 249 Cb 0.44 -1.41 -0.05 0.00 -1.02 0.00 0.00 32.46 30.42 1iru n ARG 249 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1iru n GLU 250 N 0.72 2.44 0.00 5.56 1.02 -1.24 -5.12 120.64 124.03 1iru n GLU 250 Ca 0.15 0.01 0.01 0.00 -0.02 0.00 0.00 57.16 57.31 1iru n GLU 250 Cb 0.42 -1.17 0.07 0.00 -0.02 0.00 0.00 31.44 30.74 1iru n GLU 250 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67