#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ixj h PHE 47 N 0.00 0.00 -0.43 0.66 0.04 -1.98 -3.14 116.94 112.09 3ixj h PHE 47 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3ixj h PHE 47 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3ixj h PHE 47 CO 0.00 0.53 0.19 -0.39 -0.60 0.00 0.00 178.31 178.04 3ixj h VAL 48 N 0.00 1.16 0.00 -0.55 -1.51 -2.02 -1.46 116.25 111.87 3ixj h VAL 48 Ca -0.01 -0.47 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 3ixj h VAL 48 Cb 0.97 0.62 -0.00 0.00 -2.13 0.00 0.00 31.29 30.76 3ixj h VAL 48 CO 0.07 0.19 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.24 3ixj h GLU 49 N 0.61 0.00 0.00 5.19 5.08 -1.93 -2.64 114.58 120.89 3ixj h GLU 49 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ixj h GLU 49 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3ixj h GLU 49 CO -0.02 0.02 -1.11 -1.33 -1.00 0.00 0.00 179.01 175.57 3ixj n MET 50 N -3.21 0.14 -2.25 2.33 2.81 -0.57 -4.66 117.12 111.70 3ixj n MET 50 Ca -0.02 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.43 3ixj n MET 50 Cb 0.17 -1.52 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3ixj n MET 50 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3ixj s VAL 51 N -3.10 3.30 -0.84 2.03 1.01 -1.00 -2.89 120.40 118.92 3ixj s VAL 51 Ca 0.05 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.10 3ixj s VAL 51 Cb 0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3ixj s VAL 51 CO 0.85 0.16 0.00 0.47 0.00 0.00 0.00 175.10 176.58 3ixj n ASP 52 N 2.67 -3.43 -0.26 3.32 8.00 -1.20 -4.93 116.55 120.72 3ixj n ASP 52 Ca 0.06 0.06 0.14 0.00 0.71 0.00 0.00 54.79 55.76 3ixj n ASP 52 Cb 0.43 -2.44 0.57 0.00 -0.02 0.00 0.00 41.12 39.66 3ixj n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3ixj n ASN 53 N 0.32 0.90 -4.76 -2.24 6.94 -1.05 -4.84 115.26 110.54 3ixj n ASN 53 Ca -0.10 -1.02 -0.35 0.00 -0.02 0.00 0.00 54.58 53.08 3ixj n ASN 53 Cb 0.50 0.01 -0.08 0.00 -2.36 0.00 0.00 39.78 37.86 3ixj n ASN 53 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3ixj s LEU 54 N -2.26 3.88 0.40 -4.53 1.43 -0.72 -4.31 118.68 112.57 3ixj s LEU 54 Ca 0.33 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 3ixj s LEU 54 Cb 0.20 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 3ixj s LEU 54 CO 0.42 0.37 0.13 -0.13 0.23 0.00 0.00 176.35 177.37 3ixj s ARG 55 N -1.10 1.91 0.00 1.70 0.52 -0.66 -2.73 118.95 118.60 3ixj s ARG 55 Ca 0.16 -2.16 0.00 0.00 -0.52 0.00 0.00 55.73 53.21 3ixj s ARG 55 Cb -0.12 -0.61 0.00 0.00 0.52 0.00 0.00 34.95 34.75 3ixj s ARG 55 CO 0.05 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.32 3ixj n GLY 56 N -0.89 2.05 3.90 -3.53 0.00 -0.79 -1.16 105.19 104.77 3ixj n GLY 56 Ca -0.06 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 3ixj n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ixj s LYS 57 N -2.00 3.53 -0.08 1.61 3.01 -1.26 -0.88 119.74 123.68 3ixj s LYS 57 Ca 0.00 -0.21 -0.33 0.00 -1.01 0.00 0.00 55.97 54.42 3ixj s LYS 57 Cb 0.00 -3.01 -0.11 0.00 -1.01 0.00 0.00 37.83 33.70 3ixj s LYS 57 CO 0.00 0.59 1.94 0.45 0.51 0.00 0.00 175.35 178.84 3ixj n SER 58 N 0.60 3.58 0.00 2.83 2.88 -1.26 -0.59 113.62 121.66 3ixj n SER 58 Ca -0.07 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.36 3ixj n SER 58 Cb 0.52 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3ixj n SER 58 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3ixj n GLY 59 N 4.60 0.64 0.02 0.46 0.00 -1.26 -4.90 105.19 104.74 3ixj n GLY 59 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3ixj n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ixj n GLN 60 N -2.70 3.59 0.00 1.61 6.02 0.24 -5.05 117.38 121.09 3ixj n GLN 60 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 3ixj n GLN 60 Cb 0.00 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 30.52 3ixj n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ixj n GLY 61 N 0.62 3.45 3.65 1.08 0.00 -1.23 -4.86 105.19 107.90 3ixj n GLY 61 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 3ixj n GLY 61 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ixj s TYR 62 N -1.67 3.33 0.10 1.61 1.51 -1.26 -4.11 117.35 116.86 3ixj s TYR 62 Ca 0.00 0.58 0.09 0.00 -1.01 0.00 0.00 57.07 56.73 3ixj s TYR 62 Cb 0.00 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 3ixj s TYR 62 CO 0.00 -0.10 -0.23 1.52 -1.11 0.00 0.00 175.55 175.63 3ixj s TYR 63 N 1.64 1.96 0.05 2.71 1.13 -0.30 -0.72 117.35 123.81 3ixj s TYR 63 Ca 0.19 -0.40 0.05 0.00 -1.41 0.00 0.00 57.07 55.50 3ixj s TYR 63 Cb -0.15 -1.09 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 3ixj s TYR 63 CO 0.09 0.23 -0.08 0.54 -2.51 0.00 0.00 175.55 173.81 3ixj s VAL 64 N -1.08 3.49 0.09 -3.49 0.11 0.11 -1.65 120.40 117.98 3ixj s VAL 64 Ca 0.09 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.83 3ixj s VAL 64 Cb -0.10 -2.57 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 3ixj s VAL 64 CO 0.04 0.26 1.07 -0.70 -3.33 0.00 0.00 175.10 172.45 3ixj s GLU 65 N -1.78 4.56 0.06 1.54 2.12 -1.26 -0.60 118.70 123.34 3ixj s GLU 65 Ca 0.19 1.60 -0.00 0.00 0.36 0.00 0.00 54.97 57.12 3ixj s GLU 65 Cb -0.11 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 3ixj s GLU 65 CO 0.10 -0.02 -0.04 -1.64 -0.54 0.00 0.00 175.26 173.12 3ixj s MET 66 N 0.46 0.64 -0.04 4.30 -1.94 -0.36 -3.98 119.30 118.38 3ixj s MET 66 Ca 0.52 -1.18 0.06 0.00 -1.71 0.00 0.00 55.69 53.38 3ixj s MET 66 Cb -0.26 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.64 3ixj s MET 66 CO 0.31 -0.07 -0.21 0.95 -0.01 0.00 0.00 175.02 175.98 3ixj s THR 67 N -3.54 1.73 -0.07 2.05 -4.23 0.38 -1.05 115.64 110.92 3ixj s THR 67 Ca 0.06 -0.91 0.05 0.00 -1.18 0.00 0.00 61.69 59.71 3ixj s THR 67 Cb 0.05 -1.46 -0.01 0.00 1.34 0.00 0.00 72.50 72.43 3ixj s THR 67 CO -0.07 0.49 -0.24 0.68 -0.54 0.00 0.00 174.62 174.93 3ixj s VAL 68 N -0.25 2.00 0.00 2.29 -7.23 -0.69 -1.53 120.40 114.99 3ixj s VAL 68 Ca 0.01 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3ixj s VAL 68 Cb -0.11 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 35.13 3ixj s VAL 68 CO 0.01 0.55 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 3ixj n GLY 69 N 3.14 -0.41 2.86 2.32 0.00 0.39 -1.42 105.19 112.06 3ixj n GLY 69 Ca -0.18 -1.80 -0.26 0.00 0.00 0.00 0.00 46.02 43.78 3ixj n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixj s SER 70 N -1.50 2.16 0.72 1.61 0.01 -1.26 -2.79 113.70 112.65 3ixj s SER 70 Ca 0.00 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 56.80 3ixj s SER 70 Cb 0.00 -0.73 0.03 0.00 0.21 0.00 0.00 66.02 65.53 3ixj s SER 70 CO 0.00 -0.16 1.13 -2.16 0.41 0.00 0.00 173.24 172.46 3ixj s PRO 71 N 1.77 2.40 0.15 12.44 0.04 -1.26 -1.22 135.00 149.32 3ixj s PRO 71 Ca 0.04 1.42 -0.34 0.00 0.04 0.00 0.00 61.00 62.16 3ixj s PRO 71 Cb -0.13 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.37 3ixj s PRO 71 CO -0.07 -1.57 1.58 -0.35 0.04 0.00 0.00 177.00 176.63 3ixj n PRO 72 N -2.89 2.14 -3.77 0.56 -0.04 -1.12 -4.92 135.00 124.96 3ixj n PRO 72 Ca 0.11 0.77 -0.37 0.00 -0.04 0.00 0.00 63.50 63.97 3ixj n PRO 72 Cb 0.52 -2.54 -0.13 0.00 -0.04 0.00 0.00 33.50 31.31 3ixj n PRO 72 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3ixj s GLN 73 N 1.00 3.27 -0.05 0.54 -0.21 -0.51 -4.90 119.66 118.79 3ixj s GLN 73 Ca 0.79 -0.74 -0.30 0.00 0.02 0.00 0.00 55.36 55.14 3ixj s GLN 73 Cb -0.68 -3.33 -0.02 0.00 1.00 0.00 0.00 33.01 29.98 3ixj s GLN 73 CO 0.38 -0.35 1.01 0.99 -2.12 0.00 0.00 175.29 175.19 3ixj s THR 74 N 1.53 4.79 0.02 -0.19 2.01 -1.26 -1.70 115.64 120.83 3ixj s THR 74 Ca 0.04 2.02 -0.01 0.00 0.31 0.00 0.00 61.69 64.06 3ixj s THR 74 Cb -0.16 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.03 3ixj s THR 74 CO 0.02 0.08 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.26 3ixj s LEU 75 N 1.54 2.14 -0.14 4.42 1.43 -0.22 -4.98 118.68 122.88 3ixj s LEU 75 Ca 0.50 -0.41 -0.18 0.00 -1.03 0.00 0.00 54.13 53.02 3ixj s LEU 75 Cb -0.20 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.12 3ixj s LEU 75 CO 0.23 -0.27 0.46 0.20 0.23 0.00 0.00 176.35 177.20 3ixj s ASN 76 N -1.26 6.62 -0.16 2.29 0.02 -1.26 -1.23 114.94 119.95 3ixj s ASN 76 Ca -0.14 0.74 0.00 0.00 -1.02 0.00 0.00 52.86 52.44 3ixj s ASN 76 Cb -0.09 -2.27 0.03 0.00 0.02 0.00 0.00 41.25 38.94 3ixj s ASN 76 CO -0.01 -0.02 -0.12 -0.63 0.02 0.00 0.00 177.10 176.34 3ixj s ILE 77 N 0.80 1.54 0.07 0.60 -1.09 0.23 0.02 121.20 123.38 3ixj s ILE 77 Ca 0.24 -0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 57.64 3ixj s ILE 77 Cb -0.15 -1.51 -0.09 0.00 -1.58 0.00 0.00 42.46 39.13 3ixj s ILE 77 CO 0.09 0.36 1.90 -0.22 -1.23 0.00 0.00 174.94 175.84 3ixj s LEU 78 N 1.48 4.42 -0.24 2.97 2.96 -0.03 -0.71 118.68 129.52 3ixj s LEU 78 Ca 0.03 2.71 -0.29 0.00 -0.22 0.00 0.00 54.13 56.36 3ixj s LEU 78 Cb -0.14 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3ixj s LEU 78 CO -0.10 -1.03 1.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3ixj s VAL 79 N 3.67 4.39 -0.25 1.68 1.01 0.10 0.05 120.40 131.06 3ixj s VAL 79 Ca 0.85 1.64 -0.02 0.00 0.00 0.00 0.00 61.98 64.45 3ixj s VAL 79 Cb -0.44 -4.20 0.08 0.00 0.00 0.00 0.00 36.38 31.82 3ixj s VAL 79 CO 0.39 -0.30 0.07 -0.62 0.00 0.00 0.00 175.10 174.64 3ixj s ASP 80 N 1.91 3.36 0.00 3.32 2.15 -0.37 -3.79 116.67 123.26 3ixj s ASP 80 Ca 0.51 -1.15 0.29 0.00 0.43 0.00 0.00 52.55 52.62 3ixj s ASP 80 Cb -0.17 -0.65 1.22 0.00 -0.30 0.00 0.00 42.92 43.02 3ixj s ASP 80 CO 0.15 -0.36 1.85 0.35 -0.17 0.00 0.00 175.17 176.99 3ixj n THR 81 N 5.01 0.00 1.04 1.71 -2.24 -1.26 -0.08 114.28 118.46 3ixj n THR 81 Ca -0.06 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.72 3ixj n THR 81 Cb 0.45 -0.01 0.28 0.00 -2.10 0.00 0.00 70.33 68.94 3ixj n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixj n GLY 82 N 1.25 0.49 3.52 3.38 0.00 -1.26 -4.12 105.19 108.44 3ixj n GLY 82 Ca 0.16 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 3ixj n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ixj s SER 83 N -1.31 0.61 0.00 1.61 1.04 -1.25 -4.98 113.70 109.42 3ixj s SER 83 Ca 0.29 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.37 3ixj s SER 83 Cb 0.15 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.92 3ixj s SER 83 CO 0.22 -1.28 0.44 -1.20 0.98 0.00 0.00 173.24 172.40 3ixj n SER 84 N -1.15 0.65 -4.65 7.02 7.64 -1.26 0.35 113.62 122.21 3ixj n SER 84 Ca -0.00 -1.19 -0.35 0.00 1.01 0.00 0.00 58.87 58.33 3ixj n SER 84 Cb 0.62 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.72 3ixj n SER 84 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3ixj s ASN 85 N -0.19 5.84 -0.34 6.43 -0.87 -1.26 -4.41 114.94 120.13 3ixj s ASN 85 Ca 0.00 0.11 -0.21 0.00 -1.57 0.00 0.00 52.86 51.19 3ixj s ASN 85 Cb 0.00 -2.02 -0.00 0.00 -0.02 0.00 0.00 41.25 39.21 3ixj s ASN 85 CO 0.00 0.15 0.65 0.12 -2.57 0.00 0.00 177.10 175.44 3ixj s PHE 86 N 0.55 3.17 0.01 2.20 5.36 -1.26 -2.03 117.98 125.98 3ixj s PHE 86 Ca 0.05 0.45 0.00 0.00 -0.96 0.00 0.00 56.93 56.47 3ixj s PHE 86 Cb -0.12 -3.11 -0.01 0.00 -0.34 0.00 0.00 43.02 39.43 3ixj s PHE 86 CO 0.01 -0.59 -0.02 0.00 -1.46 0.00 0.00 175.22 173.16 3ixj s ALA 87 N 2.71 0.09 0.03 11.12 0.00 -0.59 -1.39 121.76 133.74 3ixj s ALA 87 Ca 0.25 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3ixj s ALA 87 Cb -0.14 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 3ixj s ALA 87 CO 0.14 -0.05 -0.11 0.14 0.00 0.00 0.00 175.76 175.88 3ixj s VAL 88 N -0.59 0.82 0.03 0.00 -7.23 -0.48 -0.28 120.40 112.66 3ixj s VAL 88 Ca -0.06 -0.90 -0.36 0.00 -1.81 0.00 0.00 61.98 58.85 3ixj s VAL 88 Cb -0.04 -0.78 -0.15 0.00 0.56 0.00 0.00 36.38 35.97 3ixj s VAL 88 CO -0.00 -0.10 1.55 0.61 -0.31 0.00 0.00 175.10 176.85 3ixj n GLY 89 N 1.93 0.88 0.00 2.32 0.00 -0.22 0.31 105.19 110.41 3ixj n GLY 89 Ca -0.19 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.58 3ixj n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj n ALA 90 N 3.81 1.42 -3.12 4.61 0.00 -0.49 0.22 120.51 126.96 3ixj n ALA 90 Ca 0.20 -0.68 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 3ixj n ALA 90 Cb 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.58 3ixj n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ixj s ALA 91 N -0.41 -0.40 0.25 0.00 0.00 -1.20 -4.75 121.76 115.25 3ixj s ALA 91 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3ixj s ALA 91 Cb 0.00 0.05 -0.14 0.00 0.00 0.00 0.00 23.12 23.03 3ixj s ALA 91 CO 0.00 -0.20 1.20 -2.30 0.00 0.00 0.00 175.76 174.46 3ixj n PRO 92 N 1.63 1.60 -3.76 0.00 -0.02 -1.26 -4.96 135.00 128.23 3ixj n PRO 92 Ca -0.21 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3ixj n PRO 92 Cb 0.56 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.84 3ixj n PRO 92 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3ixj s HIS 93 N -0.54 -0.31 0.55 6.00 2.46 -1.26 -5.05 115.29 117.14 3ixj s HIS 93 Ca 0.65 0.73 0.31 0.00 0.47 0.00 0.00 55.06 57.22 3ixj s HIS 93 Cb -0.71 0.08 1.47 0.00 -0.13 0.00 0.00 32.58 33.29 3ixj s HIS 93 CO 0.55 -0.17 1.88 -1.00 -2.47 0.00 0.00 174.74 173.53 3ixj h PRO 94 N 6.30 0.00 -0.00 2.88 0.13 -2.04 -0.20 132.00 139.07 3ixj h PRO 94 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3ixj h PRO 94 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3ixj h PRO 94 CO 0.36 0.00 -0.47 1.19 -0.23 0.00 0.00 178.00 178.84 3ixj n PHE 95 N -4.11 0.00 -3.75 1.56 3.72 -1.26 -4.90 117.46 108.72 3ixj n PHE 95 Ca 0.16 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.20 3ixj n PHE 95 Cb 0.90 -0.14 -0.07 0.00 -0.94 0.00 0.00 39.48 39.23 3ixj n PHE 95 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ixj s LEU 96 N -2.76 4.34 -0.04 4.37 1.43 -0.09 -4.61 118.68 121.33 3ixj s LEU 96 Ca 0.16 0.48 0.22 0.00 -1.03 0.00 0.00 54.13 53.96 3ixj s LEU 96 Cb 0.18 -2.18 -0.34 0.00 0.03 0.00 0.00 46.19 43.88 3ixj s LEU 96 CO 0.64 0.30 0.46 1.41 0.23 0.00 0.00 176.35 179.40 3ixj n HIS 97 N 2.55 0.00 -3.93 0.29 8.25 -1.26 -4.65 115.22 116.46 3ixj n HIS 97 Ca -0.17 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.19 3ixj n HIS 97 Cb 0.54 -0.51 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 3ixj n HIS 97 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ixj s ARG 98 N -3.48 1.15 0.19 -0.41 1.70 -1.26 -5.16 118.95 111.69 3ixj s ARG 98 Ca -0.08 -1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 53.88 3ixj s ARG 98 Cb 0.14 0.39 0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3ixj s ARG 98 CO 0.90 -0.43 0.50 1.52 -1.08 0.00 0.00 175.30 176.72 3ixj s TYR 99 N -3.95 -0.08 -0.09 5.89 -0.85 -1.26 -4.92 117.35 112.09 3ixj s TYR 99 Ca 0.16 -0.26 -0.30 0.00 -0.52 0.00 0.00 57.07 56.15 3ixj s TYR 99 Cb 0.03 0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.69 3ixj s TYR 99 CO -0.01 -0.89 1.25 -0.47 -1.52 0.00 0.00 175.55 173.91 3ixj s TYR 100 N -3.88 3.02 -0.55 -3.49 5.04 0.13 -4.93 117.35 112.70 3ixj s TYR 100 Ca 0.10 1.09 -0.08 0.00 -2.44 0.00 0.00 57.07 55.74 3ixj s TYR 100 Cb -0.00 -3.48 0.14 0.00 0.35 0.00 0.00 41.96 38.97 3ixj s TYR 100 CO -0.03 -1.59 0.41 -0.65 -1.34 0.00 0.00 175.55 172.35 3ixj s GLN 101 N 2.69 2.61 0.37 4.97 -0.21 -1.26 -4.39 119.66 124.43 3ixj s GLN 101 Ca 0.56 -2.04 0.05 0.00 0.02 0.00 0.00 55.36 53.95 3ixj s GLN 101 Cb -0.24 -3.92 0.72 0.00 1.00 0.00 0.00 33.01 30.57 3ixj s GLN 101 CO 0.20 -1.19 1.98 0.00 -2.12 0.00 0.00 175.29 174.15 3ixj h ARG 102 N 7.99 0.58 0.00 2.91 3.08 -1.94 -1.99 114.38 125.01 3ixj h ARG 102 Ca -0.12 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3ixj h ARG 102 Cb 1.04 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.97 3ixj h ARG 102 CO 0.80 0.47 0.00 -0.56 -1.07 0.00 0.00 179.97 179.61 3ixj h GLN 103 N 0.58 0.00 -0.01 0.04 -0.00 -2.01 -2.38 115.11 111.34 3ixj h GLN 103 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3ixj h GLN 103 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3ixj h GLN 103 CO -0.02 0.00 -0.20 1.28 -0.00 0.00 0.00 178.83 179.89 3ixj n LEU 104 N -2.78 1.00 -4.58 0.06 4.77 -0.75 -4.88 117.00 109.84 3ixj n LEU 104 Ca 0.00 -0.25 -0.34 0.00 -0.03 0.00 0.00 56.01 55.39 3ixj n LEU 104 Cb 0.22 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.09 3ixj n LEU 104 CO 0.22 0.18 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.63 3ixj s SER 105 N -2.43 5.30 0.03 -1.43 0.15 -0.90 -4.35 113.70 110.06 3ixj s SER 105 Ca 0.27 -0.01 0.27 0.00 0.70 0.00 0.00 55.95 57.18 3ixj s SER 105 Cb 0.20 -1.89 0.84 0.00 -1.71 0.00 0.00 66.02 63.45 3ixj s SER 105 CO 0.49 0.16 1.66 -1.54 1.20 0.00 0.00 173.24 175.22 3ixj n SER 106 N 3.58 0.32 -0.47 5.45 3.41 -0.36 -3.70 113.62 121.86 3ixj n SER 106 Ca -0.17 0.18 0.06 0.00 -0.26 0.00 0.00 58.87 58.68 3ixj n SER 106 Cb 0.52 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.35 3ixj n SER 106 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ixj n THR 107 N -1.61 0.00 -1.74 6.66 -2.24 -1.26 -4.98 114.28 109.10 3ixj n THR 107 Ca 0.06 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.93 3ixj n THR 107 Cb 0.35 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 3ixj n THR 107 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3ixj s TYR 108 N -1.05 2.67 -0.15 4.78 5.04 -1.24 -4.55 117.35 122.85 3ixj s TYR 108 Ca 0.14 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.03 3ixj s TYR 108 Cb 0.10 -4.13 0.02 0.00 0.35 0.00 0.00 41.96 38.29 3ixj s TYR 108 CO 0.16 -4.41 -0.18 1.03 -1.34 0.00 0.00 175.55 170.81 3ixj s ARG 109 N 1.70 2.69 0.13 4.97 0.52 -0.19 -5.00 118.95 123.78 3ixj s ARG 109 Ca 0.76 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.95 3ixj s ARG 109 Cb -0.48 -2.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.62 3ixj s ARG 109 CO 0.33 -0.13 1.26 0.34 0.02 0.00 0.00 175.30 177.12 3ixj s ASP 110 N 1.14 7.00 0.00 0.23 -1.08 -1.26 -0.91 116.67 121.79 3ixj s ASP 110 Ca -0.01 2.22 0.23 0.00 -0.52 0.00 0.00 52.55 54.47 3ixj s ASP 110 Cb -0.14 -2.59 0.18 0.00 -1.46 0.00 0.00 42.92 38.91 3ixj s ASP 110 CO -0.07 -0.49 1.19 0.18 0.52 0.00 0.00 175.17 176.50 3ixj n LEU 111 N 3.28 1.09 -3.53 -1.34 4.77 -0.63 -4.91 117.00 115.73 3ixj n LEU 111 Ca 0.08 -0.38 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 3ixj n LEU 111 Cb 0.44 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3ixj n LEU 111 CO 0.57 0.23 0.17 0.54 -1.33 0.00 0.00 177.39 177.57 3ixj n ARG 112 N -1.04 -7.24 -3.70 3.23 1.74 -1.25 -4.99 116.66 103.40 3ixj n ARG 112 Ca 0.07 0.83 -0.11 0.00 -0.77 0.00 0.00 57.85 57.87 3ixj n ARG 112 Cb 0.36 -5.86 -0.11 0.00 -1.02 0.00 0.00 32.46 25.84 3ixj n ARG 112 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ixj s LYS 113 N -5.86 0.41 0.61 5.56 2.20 -1.26 -5.06 119.74 116.34 3ixj s LYS 113 Ca 0.30 0.74 -0.10 0.00 -0.36 0.00 0.00 55.97 56.55 3ixj s LYS 113 Cb -0.13 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.18 3ixj s LYS 113 CO 0.73 -0.14 1.00 0.20 -0.36 0.00 0.00 175.35 176.78 3ixj s GLY 114 N 1.17 1.63 -0.14 5.54 0.00 -1.26 -0.55 107.32 113.70 3ixj s GLY 114 Ca -0.08 -0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.25 3ixj s GLY 114 CO -0.10 0.06 0.49 0.54 0.00 0.00 0.00 173.10 174.09 3ixj s VAL 115 N -3.14 0.01 -0.02 1.40 0.11 -0.53 -4.79 120.40 113.44 3ixj s VAL 115 Ca 0.54 -0.08 0.04 0.00 -2.93 0.00 0.00 61.98 59.55 3ixj s VAL 115 Cb -0.11 -0.72 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3ixj s VAL 115 CO 0.52 -0.04 -0.13 -0.47 -3.33 0.00 0.00 175.10 171.64 3ixj s TYR 116 N -0.19 1.25 -0.17 1.54 6.14 -1.26 0.11 117.35 124.77 3ixj s TYR 116 Ca -0.04 -0.28 0.00 0.00 0.64 0.00 0.00 57.07 57.39 3ixj s TYR 116 Cb -0.03 -0.83 0.03 0.00 0.42 0.00 0.00 41.96 41.55 3ixj s TYR 116 CO 0.02 -0.07 -0.11 0.08 0.64 0.00 0.00 175.55 176.12 3ixj s VAL 117 N -0.11 1.50 0.12 3.14 1.01 -0.34 -4.87 120.40 120.85 3ixj s VAL 117 Ca 0.01 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 3ixj s VAL 117 Cb -0.07 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.71 3ixj s VAL 117 CO 0.00 0.27 0.61 -2.16 0.00 0.00 0.00 175.10 173.83 3ixj s PRO 118 N 1.48 4.21 0.38 2.72 0.04 -1.26 -2.36 135.00 140.21 3ixj s PRO 118 Ca 0.02 0.76 0.04 0.00 0.04 0.00 0.00 61.00 61.85 3ixj s PRO 118 Cb -0.15 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 3ixj s PRO 118 CO -0.09 0.57 0.08 0.71 0.04 0.00 0.00 177.00 178.31 3ixj s TYR 119 N -1.24 1.89 0.17 0.56 2.02 0.61 -5.00 117.35 116.36 3ixj s TYR 119 Ca 0.33 -1.09 -0.14 0.00 -0.37 0.00 0.00 57.07 55.81 3ixj s TYR 119 Cb -0.19 -1.27 0.07 0.00 -0.40 0.00 0.00 41.96 40.18 3ixj s TYR 119 CO 0.20 -0.09 1.82 1.15 -1.57 0.00 0.00 175.55 177.06 3ixj h THR 120 N 1.91 1.07 0.12 -0.71 2.02 -2.00 -3.30 112.91 112.03 3ixj h THR 120 Ca -0.39 -0.21 -0.33 0.00 0.77 0.00 0.00 66.41 66.26 3ixj h THR 120 Cb 1.26 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3ixj h THR 120 CO 0.65 0.11 -1.69 -0.61 0.37 0.00 0.00 175.52 174.35 3ixj h GLN 121 N 0.60 0.26 0.00 6.66 4.15 -1.97 -3.50 115.11 121.32 3ixj h GLN 121 Ca 0.19 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3ixj h GLN 121 Cb -0.01 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3ixj h GLN 121 CO -0.07 1.12 0.00 0.41 -1.93 0.00 0.00 178.83 178.36 3ixj n GLY 122 N 1.76 2.86 3.44 2.39 0.00 -1.24 -4.84 105.19 109.56 3ixj n GLY 122 Ca -0.21 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 3ixj n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s LYS 123 N 0.20 1.21 0.10 1.61 -2.85 -0.56 -0.29 119.74 119.17 3ixj s LYS 123 Ca 0.00 -0.38 -0.12 0.00 -1.00 0.00 0.00 55.97 54.47 3ixj s LYS 123 Cb 0.00 0.56 0.01 0.00 -2.06 0.00 0.00 37.83 36.34 3ixj s LYS 123 CO 0.00 -0.52 0.27 1.67 0.10 0.00 0.00 175.35 176.87 3ixj s TRP 124 N -3.43 0.01 0.13 1.78 1.48 -1.00 -0.92 118.94 117.00 3ixj s TRP 124 Ca 0.00 -0.39 0.05 0.00 -1.06 0.00 0.00 56.10 54.70 3ixj s TRP 124 Cb -0.01 0.06 -0.04 0.00 -1.16 0.00 0.00 33.47 32.32 3ixj s TRP 124 CO -0.10 -0.60 -0.11 -1.83 -4.06 0.00 0.00 176.95 170.24 3ixj s GLU 125 N -3.80 1.00 0.00 3.25 -1.05 0.62 -1.19 118.70 117.53 3ixj s GLU 125 Ca 0.04 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 3ixj s GLU 125 Cb 0.04 -0.70 0.00 0.00 -0.44 0.00 0.00 34.13 33.03 3ixj s GLU 125 CO -0.11 0.11 0.00 0.41 0.95 0.00 0.00 175.26 176.62 3ixj n GLY 126 N 0.22 2.19 3.05 -3.83 0.00 0.12 -1.79 105.19 105.15 3ixj n GLY 126 Ca -0.13 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3ixj n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ixj s GLU 127 N 1.07 2.09 0.33 1.61 2.02 -0.76 -1.46 118.70 123.60 3ixj s GLU 127 Ca 0.00 -0.53 -0.27 0.00 0.02 0.00 0.00 54.97 54.20 3ixj s GLU 127 Cb 0.00 -1.75 -0.09 0.00 0.10 0.00 0.00 34.13 32.39 3ixj s GLU 127 CO 0.00 -0.02 1.03 -0.51 0.02 0.00 0.00 175.26 175.78 3ixj s LEU 128 N 0.84 4.36 0.30 1.80 1.43 0.28 -1.56 118.68 126.14 3ixj s LEU 128 Ca -0.10 2.06 -0.19 0.00 -1.03 0.00 0.00 54.13 54.86 3ixj s LEU 128 Cb -0.15 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.19 3ixj s LEU 128 CO 0.01 -0.23 0.85 -0.83 0.23 0.00 0.00 176.35 176.38 3ixj s GLY 129 N -1.33 0.17 0.06 -3.19 0.00 -0.67 -1.60 107.32 100.75 3ixj s GLY 129 Ca 0.51 -0.49 0.06 0.00 0.00 0.00 0.00 44.72 44.79 3ixj s GLY 129 CO 0.31 0.35 -0.16 -0.51 0.00 0.00 0.00 173.10 173.10 3ixj s THR 130 N -2.68 1.23 0.26 0.90 -4.23 -0.08 -0.36 115.64 110.69 3ixj s THR 130 Ca 0.16 -1.23 -0.18 0.00 -1.18 0.00 0.00 61.69 59.26 3ixj s THR 130 Cb -0.04 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.67 3ixj s THR 130 CO 0.08 -0.10 0.62 -0.62 -0.54 0.00 0.00 174.62 174.06 3ixj s ASP 131 N -1.53 -0.20 0.09 3.99 -1.08 -0.88 -1.02 116.67 116.03 3ixj s ASP 131 Ca 0.01 -0.71 -0.30 0.00 -0.52 0.00 0.00 52.55 51.03 3ixj s ASP 131 Cb -0.09 0.67 -0.05 0.00 -1.46 0.00 0.00 42.92 41.98 3ixj s ASP 131 CO 0.02 -1.25 1.02 -0.76 0.52 0.00 0.00 175.17 174.72 3ixj s LEU 132 N -2.95 4.45 -0.02 -1.34 1.43 -1.26 -1.70 118.68 117.29 3ixj s LEU 132 Ca 0.15 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 55.12 3ixj s LEU 132 Cb -0.04 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.60 3ixj s LEU 132 CO 0.07 -0.19 -0.08 -0.69 0.23 0.00 0.00 176.35 175.69 3ixj s VAL 133 N 0.32 0.71 0.09 -1.59 1.01 0.18 -0.46 120.40 120.66 3ixj s VAL 133 Ca 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 3ixj s VAL 133 Cb -0.25 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3ixj s VAL 133 CO 0.30 0.23 -0.00 -0.94 0.00 0.00 0.00 175.10 174.69 3ixj s SER 134 N 0.20 0.53 -0.31 3.32 1.04 -0.58 -1.16 113.70 116.73 3ixj s SER 134 Ca -0.03 -1.09 0.02 0.00 0.48 0.00 0.00 55.95 55.34 3ixj s SER 134 Cb -0.08 0.22 0.08 0.00 0.10 0.00 0.00 66.02 66.34 3ixj s SER 134 CO 0.00 -0.63 0.00 -0.63 0.98 0.00 0.00 173.24 172.96 3ixj s ILE 135 N -3.92 2.41 0.25 -1.02 1.01 -1.26 -0.47 121.20 118.20 3ixj s ILE 135 Ca 0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 60.65 58.80 3ixj s ILE 135 Cb 0.07 -2.60 0.26 0.00 0.01 0.00 0.00 42.46 40.21 3ixj s ILE 135 CO -0.04 -0.35 1.67 -0.65 0.00 0.00 0.00 174.94 175.57 3ixj h PRO 136 N 7.75 0.22 -1.36 2.79 0.11 -1.91 -0.98 132.00 138.62 3ixj h PRO 136 Ca -0.12 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.31 3ixj h PRO 136 Cb 1.03 -0.05 -0.34 0.00 0.11 0.00 0.00 31.00 31.76 3ixj h PRO 136 CO 0.52 0.15 0.28 0.72 -0.21 0.00 0.00 178.00 179.45 3ixj n HIS 137 N -5.20 3.10 -2.21 0.65 8.25 -1.26 -4.92 115.22 113.63 3ixj n HIS 137 Ca 0.15 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.94 3ixj n HIS 137 Cb 0.50 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.74 3ixj n HIS 137 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ixj n GLY 138 N -0.67 5.54 3.77 -1.41 0.00 -0.37 -4.22 105.19 107.82 3ixj n GLY 138 Ca 0.52 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3ixj n GLY 138 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3ixj s PRO 139 N 1.79 3.55 -1.24 1.61 0.02 -1.26 -4.84 135.00 134.63 3ixj s PRO 139 Ca 0.00 1.84 -0.16 0.00 0.02 0.00 0.00 61.00 62.70 3ixj s PRO 139 Cb 0.00 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 32.18 3ixj s PRO 139 CO 0.00 -0.74 2.19 -1.71 -0.33 0.00 0.00 177.00 176.41 3ixj n ASN 140 N -0.75 3.89 -3.85 2.53 5.15 -1.26 -4.62 115.26 116.35 3ixj n ASN 140 Ca 0.09 -2.75 -0.10 0.00 -0.60 0.00 0.00 54.58 51.22 3ixj n ASN 140 Cb 0.48 -1.46 -0.08 0.00 -0.53 0.00 0.00 39.78 38.19 3ixj n ASN 140 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3ixj s VAL 141 N 3.67 0.12 -0.06 3.44 -7.23 -1.26 -5.16 120.40 113.92 3ixj s VAL 141 Ca 0.52 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.70 3ixj s VAL 141 Cb 0.14 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.98 3ixj s VAL 141 CO -0.02 -0.57 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.12 3ixj s THR 142 N -3.14 1.59 0.12 5.32 2.01 -1.26 -4.39 115.64 115.89 3ixj s THR 142 Ca -0.01 -0.78 0.07 0.00 0.31 0.00 0.00 61.69 61.29 3ixj s THR 142 Cb 0.02 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3ixj s THR 142 CO -0.07 0.46 -0.18 0.68 -0.69 0.00 0.00 174.62 174.82 3ixj s VAL 143 N 0.23 1.58 -0.26 3.82 -7.23 -0.31 -4.91 120.40 113.33 3ixj s VAL 143 Ca -0.10 -1.66 -0.21 0.00 -1.81 0.00 0.00 61.98 58.20 3ixj s VAL 143 Cb -0.14 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 3ixj s VAL 143 CO 0.04 -0.23 0.66 -0.60 -0.31 0.00 0.00 175.10 174.66 3ixj s ARG 144 N -2.30 4.08 0.09 4.82 3.52 -1.26 0.48 118.95 128.39 3ixj s ARG 144 Ca 0.08 0.56 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 3ixj s ARG 144 Cb -0.08 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3ixj s ARG 144 CO 0.04 -0.46 -0.09 0.00 -0.81 0.00 0.00 175.30 173.99 3ixj s ALA 145 N 2.58 1.00 0.23 6.12 0.00 -0.69 -4.95 121.76 126.05 3ixj s ALA 145 Ca 0.27 -1.17 -0.31 0.00 0.00 0.00 0.00 51.96 50.76 3ixj s ALA 145 Cb -0.15 0.07 -0.10 0.00 0.00 0.00 0.00 23.12 22.93 3ixj s ALA 145 CO 0.09 -0.09 1.50 -0.80 0.00 0.00 0.00 175.76 176.46 3ixj s ASN 146 N -2.47 6.60 -0.05 0.00 0.01 -1.26 -2.08 114.94 115.69 3ixj s ASN 146 Ca 0.05 2.68 0.02 0.00 -0.71 0.00 0.00 52.86 54.90 3ixj s ASN 146 Cb -0.02 -2.61 0.01 0.00 0.41 0.00 0.00 41.25 39.04 3ixj s ASN 146 CO -0.01 -0.77 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.09 3ixj s ILE 147 N 0.38 0.81 -0.40 0.60 1.01 0.52 -4.65 121.20 119.48 3ixj s ILE 147 Ca 0.63 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.78 3ixj s ILE 147 Cb -0.43 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3ixj s ILE 147 CO 0.40 0.27 0.53 0.00 0.00 0.00 0.00 174.94 176.15 3ixj s ALA 148 N 0.60 3.42 -0.64 9.38 0.00 -0.49 -1.68 121.76 132.35 3ixj s ALA 148 Ca -0.10 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.36 3ixj s ALA 148 Cb -0.13 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.88 3ixj s ALA 148 CO 0.02 -1.52 1.37 0.00 0.00 0.00 0.00 175.76 175.63 3ixj s ALA 149 N 2.46 2.75 -0.14 0.00 0.00 -0.60 -1.38 121.76 124.85 3ixj s ALA 149 Ca 0.18 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.86 3ixj s ALA 149 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 23.12 18.74 3ixj s ALA 149 CO 0.15 -3.14 1.66 0.42 0.00 0.00 0.00 175.76 174.85 3ixj s ILE 150 N 6.07 3.61 -0.18 0.00 1.01 0.15 -1.84 121.20 130.03 3ixj s ILE 150 Ca 0.45 0.71 0.13 0.00 0.00 0.00 0.00 60.65 61.95 3ixj s ILE 150 Cb -0.09 -3.55 -0.20 0.00 0.01 0.00 0.00 42.46 38.63 3ixj s ILE 150 CO 0.20 -0.16 0.02 0.35 0.00 0.00 0.00 174.94 175.36 3ixj n THR 151 N 6.00 1.19 -3.72 2.92 -2.24 -0.74 -1.39 114.28 116.29 3ixj n THR 151 Ca 0.19 -0.69 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3ixj n THR 151 Cb 0.44 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.96 3ixj n THR 151 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ixj s GLU 152 N -2.42 0.89 0.07 -0.78 -1.05 -0.99 -4.83 118.70 109.59 3ixj s GLU 152 Ca -0.11 -0.57 -0.17 0.00 -0.15 0.00 0.00 54.97 53.97 3ixj s GLU 152 Cb 0.05 0.39 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 3ixj s GLU 152 CO 0.67 -0.30 0.39 -1.54 0.95 0.00 0.00 175.26 175.43 3ixj s SER 153 N -2.30 -0.24 -0.18 0.83 1.04 -1.26 -0.28 113.70 111.32 3ixj s SER 153 Ca -0.02 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.26 3ixj s SER 153 Cb 0.00 0.43 0.05 0.00 0.10 0.00 0.00 66.02 66.61 3ixj s SER 153 CO -0.06 -0.71 0.01 -0.62 0.98 0.00 0.00 173.24 172.84 3ixj s ASP 154 N -2.25 2.78 -1.68 7.02 2.15 -0.10 -4.84 116.67 119.75 3ixj s ASP 154 Ca -0.03 -0.72 -0.01 0.00 0.43 0.00 0.00 52.55 52.22 3ixj s ASP 154 Cb 0.00 -0.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.97 3ixj s ASP 154 CO -0.05 -0.27 0.13 0.29 -0.17 0.00 0.00 175.17 175.09 3ixj n LYS 155 N 5.02 -2.40 -0.08 4.34 5.02 -1.26 -1.49 118.16 127.31 3ixj n LYS 155 Ca -0.09 0.95 -0.06 0.00 -2.02 0.00 0.00 58.31 57.09 3ixj n LYS 155 Cb 0.47 -5.66 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 3ixj n LYS 155 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3ixj n PHE 156 N -4.06 0.44 -2.38 2.13 7.35 -1.26 -3.94 117.46 115.74 3ixj n PHE 156 Ca -0.21 0.19 -0.39 0.00 -0.76 0.00 0.00 57.45 56.29 3ixj n PHE 156 Cb 0.67 -0.61 -0.03 0.00 0.35 0.00 0.00 39.48 39.86 3ixj n PHE 156 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 3ixj s PHE 157 N -2.50 3.25 -0.15 -5.13 0.08 -1.26 -4.98 117.98 107.29 3ixj s PHE 157 Ca -0.21 1.60 -0.04 0.00 0.12 0.00 0.00 56.93 58.41 3ixj s PHE 157 Cb 0.03 -3.33 -0.03 0.00 -0.57 0.00 0.00 43.02 39.12 3ixj s PHE 157 CO 0.31 -1.00 -0.03 0.42 -0.10 0.00 0.00 175.22 174.81 3ixj s ILE 158 N -1.37 3.94 -0.02 0.64 1.01 -1.26 -5.03 121.20 119.11 3ixj s ILE 158 Ca 0.53 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 3ixj s ILE 158 Cb -0.30 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 3ixj s ILE 158 CO 0.38 0.50 1.79 0.21 0.00 0.00 0.00 174.94 177.82 3ixj s ASN 159 N 0.24 6.57 0.00 3.58 2.47 -1.26 -2.49 114.94 124.05 3ixj s ASN 159 Ca -0.02 2.41 0.00 0.00 0.42 0.00 0.00 52.86 55.67 3ixj s ASN 159 Cb -0.14 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3ixj s ASN 159 CO 0.03 -0.98 0.00 0.61 -3.72 0.00 0.00 177.10 173.03 3ixj n GLY 160 N 4.31 0.67 0.19 1.21 0.00 -1.26 -4.94 105.19 105.37 3ixj n GLY 160 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3ixj n GLY 160 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3ixj h SER 161 N 0.00 0.00 0.00 1.61 4.64 -1.83 -3.47 113.55 114.50 3ixj h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ixj h SER 161 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ixj h SER 161 CO 0.00 0.33 0.00 -3.20 -0.87 0.00 0.00 176.83 173.09 3ixj n ASN 162 N -3.38 -3.30 -4.49 4.97 5.15 -1.26 -4.42 115.26 108.54 3ixj n ASN 162 Ca 0.01 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.68 3ixj n ASN 162 Cb 0.53 -1.07 -0.12 0.00 -0.53 0.00 0.00 39.78 38.60 3ixj n ASN 162 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3ixj s TRP 163 N -1.94 2.63 -0.16 1.20 1.48 -1.26 -4.60 118.94 116.30 3ixj s TRP 163 Ca 0.00 -0.21 0.02 0.00 -1.06 0.00 0.00 56.10 54.85 3ixj s TRP 163 Cb 0.00 -1.49 0.00 0.00 -1.16 0.00 0.00 33.47 30.83 3ixj s TRP 163 CO 0.00 0.29 0.37 0.39 -4.06 0.00 0.00 176.95 173.94 3ixj n GLU 164 N 1.48 1.95 -2.45 3.25 4.71 0.10 -4.85 120.64 124.84 3ixj n GLU 164 Ca -0.16 -0.38 -0.05 0.00 -0.01 0.00 0.00 57.16 56.56 3ixj n GLU 164 Cb 0.52 -0.86 -0.01 0.00 -1.01 0.00 0.00 31.44 30.09 3ixj n GLU 164 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3ixj n GLY 165 N 0.45 2.40 2.84 0.62 0.00 -1.04 -1.05 105.19 109.40 3ixj n GLY 165 Ca 0.01 -1.37 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 3ixj n GLY 165 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ixj s ILE 166 N -2.60 0.11 -0.43 -0.61 2.07 0.61 -0.85 121.20 119.50 3ixj s ILE 166 Ca 0.11 0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.32 3ixj s ILE 166 Cb -0.01 -0.18 0.09 0.00 0.13 0.00 0.00 42.46 42.50 3ixj s ILE 166 CO 0.08 0.10 0.27 -0.22 -1.91 0.00 0.00 174.94 173.25 3ixj s LEU 167 N 0.67 5.29 -0.28 8.50 2.96 0.11 -1.54 118.68 134.38 3ixj s LEU 167 Ca -0.06 -1.68 -0.28 0.00 -0.22 0.00 0.00 54.13 51.89 3ixj s LEU 167 Cb -0.09 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.64 3ixj s LEU 167 CO -0.01 -0.58 1.01 -0.83 -1.32 0.00 0.00 176.35 174.62 3ixj s GLY 168 N 2.23 1.63 0.00 7.98 0.00 -0.86 -1.23 107.32 117.07 3ixj s GLY 168 Ca 0.04 -0.03 0.18 0.00 0.00 0.00 0.00 44.72 44.91 3ixj s GLY 168 CO 0.00 2.15 1.01 1.04 0.00 0.00 0.00 173.10 177.30 3ixj n LEU 169 N 6.55 2.17 0.00 0.66 4.77 0.88 -4.22 117.00 127.81 3ixj n LEU 169 Ca 0.10 -0.88 -0.19 0.00 -0.03 0.00 0.00 56.01 55.01 3ixj n LEU 169 Cb 0.47 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.70 3ixj n LEU 169 CO 0.55 0.39 0.52 0.00 -1.33 0.00 0.00 177.39 177.52 3ixj n ALA 170 N 0.50 -1.40 -2.02 -1.18 0.00 0.16 -4.95 120.51 111.61 3ixj n ALA 170 Ca 0.09 -1.11 -0.28 0.00 0.00 0.00 0.00 53.44 52.14 3ixj n ALA 170 Cb 0.42 -0.06 0.04 0.00 0.00 0.00 0.00 19.45 19.85 3ixj n ALA 170 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3ixj s TYR 171 N -2.71 3.27 0.54 0.00 2.02 -0.85 -4.54 117.35 115.07 3ixj s TYR 171 Ca 0.48 0.76 0.24 0.00 -0.37 0.00 0.00 57.07 58.18 3ixj s TYR 171 Cb -0.02 -2.84 1.42 0.00 -0.40 0.00 0.00 41.96 40.12 3ixj s TYR 171 CO 0.35 -0.94 2.04 0.00 -1.57 0.00 0.00 175.55 175.44 3ixj h ALA 172 N -0.32 2.26 -0.54 3.71 0.00 -1.86 -2.76 119.26 119.75 3ixj h ALA 172 Ca -0.45 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.54 3ixj h ALA 172 Cb 1.26 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3ixj h ALA 172 CO 0.62 -0.46 0.37 1.49 0.00 0.00 0.00 179.25 181.26 3ixj h GLU 173 N 0.00 0.31 -0.53 0.00 4.81 -1.87 -1.32 114.58 115.98 3ixj h GLU 173 Ca 0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ixj h GLU 173 Cb 0.72 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3ixj h GLU 173 CO -0.00 0.20 0.00 0.44 -0.73 0.00 0.00 179.01 178.92 3ixj n ILE 174 N -4.46 1.44 -2.52 2.32 -5.35 -1.04 -4.66 119.36 105.08 3ixj n ILE 174 Ca 0.09 -1.17 -0.39 0.00 -0.27 0.00 0.00 62.75 61.01 3ixj n ILE 174 Cb 0.38 0.29 -0.04 0.00 -1.74 0.00 0.00 39.64 38.53 3ixj n ILE 174 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ixj s ALA 175 N -1.50 3.26 -0.01 -1.28 0.00 -0.50 -4.57 121.76 117.15 3ixj s ALA 175 Ca 0.41 0.79 -0.01 0.00 0.00 0.00 0.00 51.96 53.14 3ixj s ALA 175 Cb 0.25 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 3ixj s ALA 175 CO 0.22 -0.16 0.11 1.03 0.00 0.00 0.00 175.76 176.95 3ixj s ARG 176 N -1.90 3.17 0.31 0.00 1.81 -1.26 -2.95 118.95 118.12 3ixj s ARG 176 Ca 0.50 -0.42 0.14 0.00 -1.72 0.00 0.00 55.73 54.23 3ixj s ARG 176 Cb -0.27 -2.93 0.45 0.00 -0.45 0.00 0.00 34.95 31.75 3ixj s ARG 176 CO 0.34 0.66 1.64 -1.35 -0.68 0.00 0.00 175.30 175.92 3ixj h PRO 177 N 4.12 0.00 0.00 3.54 0.11 -1.89 -3.46 132.00 134.41 3ixj h PRO 177 Ca -0.49 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 3ixj h PRO 177 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3ixj h PRO 177 CO 0.63 0.53 -0.07 -0.40 -0.21 0.00 0.00 178.00 178.49 3ixj n ASP 178 N -3.65 -1.02 0.00 -2.05 5.68 -1.15 -5.04 116.55 109.32 3ixj n ASP 178 Ca -0.01 -2.29 0.07 0.00 -0.50 0.00 0.00 54.79 52.06 3ixj n ASP 178 Cb 0.59 1.87 0.43 0.00 -1.14 0.00 0.00 41.12 42.88 3ixj n ASP 178 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3ixj n ASP 179 N -1.73 0.00 0.16 -1.12 5.68 -1.25 -2.86 116.55 115.42 3ixj n ASP 179 Ca -0.00 -1.02 0.08 0.00 -0.50 0.00 0.00 54.79 53.35 3ixj n ASP 179 Cb 0.41 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.46 3ixj n ASP 179 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ixj h SER 180 N 0.00 0.00 -2.69 -1.12 4.64 -1.90 -3.43 113.55 109.05 3ixj h SER 180 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3ixj h SER 180 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3ixj h SER 180 CO 0.00 0.22 1.12 -0.22 -0.87 0.00 0.00 176.83 177.08 3ixj s LEU 181 N -6.10 3.37 0.04 5.97 2.96 -1.13 -4.98 118.68 118.80 3ixj s LEU 181 Ca 0.04 0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 53.86 3ixj s LEU 181 Cb 0.07 -2.95 -0.08 0.00 0.50 0.00 0.00 46.19 43.73 3ixj s LEU 181 CO 0.73 -1.78 1.64 -0.70 -1.32 0.00 0.00 176.35 174.92 3ixj s GLU 182 N 5.67 4.20 0.72 1.98 2.12 -1.26 -4.89 118.70 127.24 3ixj s GLU 182 Ca 0.52 2.28 -0.15 0.00 0.36 0.00 0.00 54.97 57.98 3ixj s GLU 182 Cb -0.11 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.63 3ixj s GLU 182 CO 0.23 -0.75 1.18 -2.14 -0.54 0.00 0.00 175.26 173.25 3ixj s PRO 183 N 2.92 2.26 0.20 4.30 0.02 -1.26 -4.50 135.00 138.94 3ixj s PRO 183 Ca 0.73 1.67 -0.13 0.00 0.02 0.00 0.00 61.00 63.29 3ixj s PRO 183 Cb -0.38 -1.86 0.22 0.00 0.02 0.00 0.00 34.50 32.50 3ixj s PRO 183 CO 0.32 -1.72 1.66 0.35 -0.33 0.00 0.00 177.00 177.27 3ixj h PHE 184 N -0.25 -0.16 -0.22 6.54 3.57 -1.80 -2.05 116.94 122.56 3ixj h PHE 184 Ca -0.47 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.00 3ixj h PHE 184 Cb 1.28 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 3ixj h PHE 184 CO 0.49 -0.19 -0.19 0.35 -2.23 0.00 0.00 178.31 176.53 3ixj h PHE 185 N 0.06 0.43 -0.61 0.41 3.57 -1.92 0.36 116.94 119.24 3ixj h PHE 185 Ca 0.28 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3ixj h PHE 185 Cb 0.44 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 3ixj h PHE 185 CO -0.40 0.57 0.09 -0.44 -2.23 0.00 0.00 178.31 175.90 3ixj h ASP 186 N 0.36 0.95 -0.35 0.41 5.19 -1.83 -1.97 116.42 119.19 3ixj h ASP 186 Ca 0.06 -0.22 -0.12 0.00 -0.62 0.00 0.00 57.03 56.13 3ixj h ASP 186 Cb 0.55 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3ixj h ASP 186 CO 0.04 0.96 -0.24 0.28 -3.12 0.00 0.00 179.24 177.16 3ixj h SER 187 N 0.93 0.87 -0.21 6.45 0.02 -0.64 -2.11 113.55 118.86 3ixj h SER 187 Ca 0.19 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3ixj h SER 187 Cb 0.42 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3ixj h SER 187 CO 0.01 1.06 0.10 0.25 -1.14 0.00 0.00 176.83 177.12 3ixj h LEU 188 N 0.73 0.28 -0.47 5.07 5.85 -0.80 -1.83 115.31 124.15 3ixj h LEU 188 Ca 0.10 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 3ixj h LEU 188 Cb 0.78 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3ixj h LEU 188 CO 0.06 0.32 -0.17 0.58 -0.34 0.00 0.00 178.44 178.90 3ixj h VAL 189 N 0.21 1.27 -0.46 1.05 2.07 -1.37 -1.71 116.25 117.31 3ixj h VAL 189 Ca 0.07 -1.32 -0.12 0.00 0.82 0.00 0.00 66.70 66.15 3ixj h VAL 189 Cb 0.12 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3ixj h VAL 189 CO -0.01 0.45 -0.19 0.50 0.02 0.00 0.00 177.57 178.34 3ixj h LYS 190 N 0.78 0.95 0.00 1.57 3.64 -1.35 -3.28 116.57 118.88 3ixj h LYS 190 Ca 0.11 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 3ixj h LYS 190 Cb 0.74 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3ixj h LYS 190 CO 0.06 1.07 -0.59 1.96 -2.27 0.00 0.00 179.45 179.67 3ixj h GLN 191 N 0.80 0.00 0.00 1.90 4.20 -1.34 -3.48 115.11 117.18 3ixj h GLN 191 Ca 0.11 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.46 3ixj h GLN 191 Cb 0.76 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.47 3ixj h GLN 191 CO 0.06 0.00 -0.28 0.25 -0.67 0.00 0.00 178.83 178.19 3ixj n THR 192 N -2.82 0.00 -0.63 -0.54 -2.24 -0.64 -5.05 114.28 102.36 3ixj n THR 192 Ca 0.02 -1.43 0.09 0.00 -2.27 0.00 0.00 64.05 60.45 3ixj n THR 192 Cb 0.54 0.44 0.37 0.00 -2.10 0.00 0.00 70.33 69.57 3ixj n THR 192 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ixj n HIS 193 N -0.62 1.57 -1.82 4.78 8.25 -1.26 -4.74 115.22 121.37 3ixj n HIS 193 Ca -0.06 -0.61 -0.42 0.00 -0.26 0.00 0.00 57.72 56.36 3ixj n HIS 193 Cb 0.37 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 3ixj n HIS 193 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ixj s VAL 194 N -1.95 3.20 0.61 1.59 1.01 -1.26 -4.95 120.40 118.65 3ixj s VAL 194 Ca 0.52 0.32 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3ixj s VAL 194 Cb 0.34 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3ixj s VAL 194 CO 0.24 -0.02 1.18 -2.65 0.00 0.00 0.00 175.10 173.85 3ixj n PRO 195 N 7.09 1.14 -1.60 2.72 -0.02 -1.26 -4.62 135.00 138.45 3ixj n PRO 195 Ca 0.18 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3ixj n PRO 195 Cb 0.41 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.48 3ixj n PRO 195 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3ixj n ASN 196 N -1.30 3.54 -3.58 2.55 5.15 -1.26 -4.18 115.26 116.18 3ixj n ASN 196 Ca 0.14 -2.80 -0.13 0.00 -0.60 0.00 0.00 54.58 51.19 3ixj n ASN 196 Cb 0.47 -1.52 -0.06 0.00 -0.53 0.00 0.00 39.78 38.13 3ixj n ASN 196 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3ixj s LEU 197 N 1.99 -0.52 -0.02 1.20 0.20 -1.26 -1.81 118.68 118.47 3ixj s LEU 197 Ca 0.50 0.74 -0.13 0.00 0.69 0.00 0.00 54.13 55.93 3ixj s LEU 197 Cb 0.14 2.13 0.02 0.00 -0.43 0.00 0.00 46.19 48.05 3ixj s LEU 197 CO -0.04 -0.35 0.28 0.72 -0.29 0.00 0.00 176.35 176.67 3ixj s PHE 198 N -0.61 -0.15 0.08 5.38 -0.71 -1.11 -0.34 117.98 120.53 3ixj s PHE 198 Ca -0.03 0.24 0.09 0.00 -1.04 0.00 0.00 56.93 56.18 3ixj s PHE 198 Cb -0.02 0.07 -0.03 0.00 -1.21 0.00 0.00 43.02 41.83 3ixj s PHE 198 CO 0.02 -0.35 -0.23 -1.54 -1.34 0.00 0.00 175.22 171.78 3ixj s SER 199 N -1.22 2.78 -0.15 1.98 1.04 -0.16 -0.38 113.70 117.60 3ixj s SER 199 Ca -0.13 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.68 3ixj s SER 199 Cb -0.05 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.88 3ixj s SER 199 CO 0.03 0.14 -0.19 -0.76 0.98 0.00 0.00 173.24 173.44 3ixj s LEU 200 N -1.65 1.98 -0.39 2.42 1.43 0.34 -1.06 118.68 121.75 3ixj s LEU 200 Ca 0.09 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3ixj s LEU 200 Cb -0.10 -1.35 0.10 0.00 0.03 0.00 0.00 46.19 44.87 3ixj s LEU 200 CO 0.04 0.03 0.17 -1.58 0.23 0.00 0.00 176.35 175.23 3ixj s GLN 201 N 1.06 2.01 -0.28 1.70 0.74 0.46 -1.41 119.66 123.94 3ixj s GLN 201 Ca -0.02 -1.75 -0.16 0.00 0.05 0.00 0.00 55.36 53.47 3ixj s GLN 201 Cb -0.14 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3ixj s GLN 201 CO -0.06 -1.01 0.44 -0.51 -0.55 0.00 0.00 175.29 173.60 3ixj s LEU 202 N 1.14 4.11 -0.40 3.68 1.43 -1.26 -0.69 118.68 126.69 3ixj s LEU 202 Ca 0.07 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.35 3ixj s LEU 202 Cb -0.22 -2.52 0.05 0.00 0.03 0.00 0.00 46.19 43.53 3ixj s LEU 202 CO -0.04 -0.27 0.24 0.00 0.23 0.00 0.00 176.35 176.51 3ixj n GLY 204 N 4.99 1.66 4.99 0.00 0.00 -1.26 -2.36 105.19 113.20 3ixj n GLY 204 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3ixj n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj n ALA 205 N -3.00 0.00 -0.13 4.61 0.00 -1.26 -4.73 120.51 116.00 3ixj n ALA 205 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ixj n ALA 205 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3ixj n ALA 205 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3ixj h SER 217 N 0.00 -0.79 -3.18 0.00 0.02 -1.96 -3.51 113.55 104.13 3ixj h SER 217 Ca 0.00 0.12 -0.58 0.00 -0.84 0.00 0.00 61.79 60.49 3ixj h SER 217 Cb 0.00 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3ixj h SER 217 CO 0.00 -0.11 -0.30 0.54 -1.14 0.00 0.00 176.83 175.83 3ixj s VAL 218 N -3.96 5.15 0.12 2.27 0.11 -0.06 -4.93 120.40 119.10 3ixj s VAL 218 Ca -0.05 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 3ixj s VAL 218 Cb 0.04 -3.63 0.01 0.00 -1.53 0.00 0.00 36.38 31.27 3ixj s VAL 218 CO 0.23 0.02 0.20 0.61 -3.33 0.00 0.00 175.10 172.83 3ixj n GLY 219 N 0.04 2.41 0.00 6.54 0.00 -1.00 -1.89 105.19 111.29 3ixj n GLY 219 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3ixj n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixj n GLY 220 N -0.19 0.01 2.88 -0.02 0.00 -1.10 -0.43 105.19 106.35 3ixj n GLY 220 Ca -0.01 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 3ixj n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ixj s SER 221 N -4.00 0.36 -0.42 1.61 0.01 0.14 -1.76 113.70 109.64 3ixj s SER 221 Ca 0.00 -0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 3ixj s SER 221 Cb 0.00 -0.10 0.11 0.00 0.21 0.00 0.00 66.02 66.24 3ixj s SER 221 CO 0.00 -0.01 0.22 -0.32 0.41 0.00 0.00 173.24 173.54 3ixj s MET 222 N 0.31 2.06 -0.44 12.44 1.75 -1.26 -0.41 119.30 133.75 3ixj s MET 222 Ca -0.03 -1.85 -0.25 0.00 -1.25 0.00 0.00 55.69 52.31 3ixj s MET 222 Cb -0.06 -3.62 0.02 0.00 2.84 0.00 0.00 34.83 34.02 3ixj s MET 222 CO -0.01 -1.09 0.92 0.42 -0.65 0.00 0.00 175.02 174.61 3ixj s ILE 223 N 1.11 4.50 -0.32 10.11 -1.09 -0.23 -4.89 121.20 130.39 3ixj s ILE 223 Ca 0.08 0.81 -0.17 0.00 -2.23 0.00 0.00 60.65 59.14 3ixj s ILE 223 Cb -0.23 -4.41 -0.01 0.00 -1.58 0.00 0.00 42.46 36.23 3ixj s ILE 223 CO -0.04 -0.77 0.47 -0.63 -1.23 0.00 0.00 174.94 172.73 3ixj s ILE 224 N 3.68 5.08 0.00 2.92 1.01 -1.26 -0.99 121.20 131.63 3ixj s ILE 224 Ca 0.37 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.44 3ixj s ILE 224 Cb -0.11 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.49 3ixj s ILE 224 CO 0.25 -0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3ixj n GLY 225 N 4.73 0.81 0.00 6.18 0.00 0.54 -4.78 105.19 112.67 3ixj n GLY 225 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3ixj n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ixj n GLY 226 N -2.34 -1.23 3.09 -0.02 0.00 -1.23 -4.30 105.19 99.16 3ixj n GLY 226 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 3ixj n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ixj s ILE 227 N -3.00 1.71 -0.43 -0.61 1.01 -1.26 -3.94 121.20 114.67 3ixj s ILE 227 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 3ixj s ILE 227 Cb 0.00 -1.54 0.05 0.00 0.01 0.00 0.00 42.46 40.98 3ixj s ILE 227 CO 0.00 0.48 0.32 -0.62 0.00 0.00 0.00 174.94 175.12 3ixj s ASP 228 N 0.97 5.99 0.29 3.58 -1.08 -1.26 -4.95 116.67 120.21 3ixj s ASP 228 Ca -0.06 -1.21 0.25 0.00 -0.52 0.00 0.00 52.55 51.01 3ixj s ASP 228 Cb -0.15 -2.12 1.02 0.00 -1.46 0.00 0.00 42.92 40.21 3ixj s ASP 228 CO -0.03 -0.54 1.75 0.45 0.52 0.00 0.00 175.17 177.32 3ixj h HIS 229 N 8.62 0.00 -0.00 -5.34 3.86 -1.99 -2.29 115.15 118.01 3ixj h HIS 229 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3ixj h HIS 229 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3ixj h HIS 229 CO 0.60 0.00 -0.06 -1.13 0.86 0.00 0.00 177.93 178.20 3ixj n SER 230 N -2.34 0.16 -0.24 2.45 3.41 -1.26 -3.66 113.62 112.14 3ixj n SER 230 Ca 0.02 -0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.56 3ixj n SER 230 Cb 0.25 -0.22 0.25 0.00 -0.26 0.00 0.00 64.21 64.22 3ixj n SER 230 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ixj n LEU 231 N -1.23 1.14 -4.04 1.04 4.77 -0.86 -4.88 117.00 112.94 3ixj n LEU 231 Ca 0.13 -0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 55.69 3ixj n LEU 231 Cb 0.27 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3ixj n LEU 231 CO 0.24 0.22 -0.25 -0.72 -1.33 0.00 0.00 177.39 175.56 3ixj s TYR 232 N -2.61 0.53 0.24 -1.77 1.13 -1.24 -1.04 117.35 112.59 3ixj s TYR 232 Ca 0.20 -0.98 0.10 0.00 -1.41 0.00 0.00 57.07 54.98 3ixj s TYR 232 Cb 0.19 -0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 40.69 3ixj s TYR 232 CO 0.58 -0.49 -0.12 0.95 -2.51 0.00 0.00 175.55 173.96 3ixj s THR 233 N -3.95 2.91 0.00 -3.49 -4.23 -0.47 -4.84 115.64 101.57 3ixj s THR 233 Ca 0.13 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 3ixj s THR 233 Cb 0.07 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.41 3ixj s THR 233 CO -0.06 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3ixj n GLY 234 N -0.42 -0.68 3.71 3.99 0.00 -1.26 -3.95 105.19 106.58 3ixj n GLY 234 Ca -0.08 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 3ixj n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ixj s SER 235 N -4.00 5.06 0.12 1.61 1.04 -1.26 -5.02 113.70 111.24 3ixj s SER 235 Ca 0.00 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 3ixj s SER 235 Cb 0.00 -1.19 -0.06 0.00 0.10 0.00 0.00 66.02 64.87 3ixj s SER 235 CO 0.00 0.11 1.01 -0.76 0.98 0.00 0.00 173.24 174.57 3ixj s LEU 236 N -2.83 4.48 -0.16 2.42 1.43 -1.26 -4.60 118.68 118.16 3ixj s LEU 236 Ca 0.28 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.24 3ixj s LEU 236 Cb -0.10 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 3ixj s LEU 236 CO 0.20 -0.13 -0.13 0.26 0.23 0.00 0.00 176.35 176.78 3ixj s TRP 237 N 0.05 2.83 -0.10 0.29 0.52 0.43 -4.88 118.94 118.06 3ixj s TRP 237 Ca 0.48 -0.95 -0.03 0.00 0.02 0.00 0.00 56.10 55.62 3ixj s TRP 237 Cb -0.25 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.11 3ixj s TRP 237 CO 0.31 -0.44 0.03 0.71 0.02 0.00 0.00 176.95 177.58 3ixj s TYR 238 N 0.85 3.24 -0.05 -1.98 2.02 -1.26 -0.54 117.35 119.64 3ixj s TYR 238 Ca -0.04 0.22 0.06 0.00 -0.37 0.00 0.00 57.07 56.94 3ixj s TYR 238 Cb -0.15 -1.85 -0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3ixj s TYR 238 CO -0.00 0.46 -0.24 -0.08 -1.57 0.00 0.00 175.55 174.13 3ixj s THR 239 N -0.72 2.21 0.36 -0.71 -1.32 0.11 -3.82 115.64 111.74 3ixj s THR 239 Ca 0.12 -1.02 -0.28 0.00 -1.21 0.00 0.00 61.69 59.29 3ixj s THR 239 Cb -0.12 -1.80 -0.10 0.00 -1.51 0.00 0.00 72.50 68.97 3ixj s THR 239 CO 0.02 0.57 1.36 -2.84 -2.21 0.00 0.00 174.62 171.53 3ixj s PRO 240 N -0.33 4.20 -0.40 7.08 0.02 -1.26 -0.09 135.00 144.23 3ixj s PRO 240 Ca 0.02 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 3ixj s PRO 240 Cb -0.12 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.42 3ixj s PRO 240 CO 0.02 -0.36 1.45 0.42 -0.33 0.00 0.00 177.00 178.21 3ixj s ILE 241 N -1.15 3.86 0.18 2.83 1.01 -0.44 -4.56 121.20 122.93 3ixj s ILE 241 Ca 0.52 0.88 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 3ixj s ILE 241 Cb -0.42 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.01 3ixj s ILE 241 CO 0.56 -0.70 1.78 -0.09 0.00 0.00 0.00 174.94 176.48 3ixj h ARG 242 N 10.88 0.87 -2.91 2.79 2.43 -1.09 -3.44 114.38 123.92 3ixj h ARG 242 Ca -0.28 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.63 3ixj h ARG 242 Cb 1.11 -0.16 -0.24 0.00 -0.42 0.00 0.00 29.97 30.25 3ixj h ARG 242 CO 1.08 0.68 -0.31 0.50 -1.51 0.00 0.00 179.97 180.41 3ixj s ARG 243 N -5.78 0.41 -1.28 0.20 3.52 -1.26 -5.08 118.95 109.68 3ixj s ARG 243 Ca -0.13 0.46 -0.14 0.00 -0.13 0.00 0.00 55.73 55.79 3ixj s ARG 243 Cb 0.13 0.20 0.13 0.00 -1.56 0.00 0.00 34.95 33.85 3ixj s ARG 243 CO 0.78 -0.05 1.70 0.39 -0.81 0.00 0.00 175.30 177.31 3ixj n GLU 244 N 2.84 3.31 0.00 5.12 1.02 -1.26 -4.12 120.64 127.54 3ixj n GLU 244 Ca -0.13 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.53 3ixj n GLU 244 Cb 0.58 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.82 3ixj n GLU 244 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 3ixj n TRP 245 N 6.12 0.00 -1.70 -0.32 4.27 -1.26 -4.58 117.44 119.97 3ixj n TRP 245 Ca 0.43 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.75 3ixj n TRP 245 Cb 0.42 0.00 0.12 0.00 -1.36 0.00 0.00 31.31 30.49 3ixj n TRP 245 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3ixj s TYR 246 N 0.00 2.56 -1.31 -2.67 2.02 -1.26 -2.01 117.35 114.68 3ixj s TYR 246 Ca 0.00 0.76 -0.18 0.00 -0.37 0.00 0.00 57.07 57.28 3ixj s TYR 246 Cb 0.00 -3.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.10 3ixj s TYR 246 CO 0.00 -2.19 1.89 0.66 -1.57 0.00 0.00 175.55 174.33 3ixj n TYR 247 N -3.61 4.09 -2.95 2.71 4.01 -1.26 -4.81 117.16 115.34 3ixj n TYR 247 Ca 0.08 -2.70 -0.40 0.00 -0.16 0.00 0.00 57.90 54.72 3ixj n TYR 247 Cb 0.60 -2.58 -0.04 0.00 -0.31 0.00 0.00 39.34 37.01 3ixj n TYR 247 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3ixj s GLU 248 N 4.22 4.48 0.34 -0.72 2.12 -1.26 -1.87 118.70 126.02 3ixj s GLU 248 Ca 0.54 1.06 0.04 0.00 0.36 0.00 0.00 54.97 56.97 3ixj s GLU 248 Cb 0.06 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 3ixj s GLU 248 CO 0.05 0.10 0.05 0.14 -0.54 0.00 0.00 175.26 175.06 3ixj s VAL 249 N 0.60 1.29 -0.20 3.70 -7.23 0.02 -0.46 120.40 118.12 3ixj s VAL 249 Ca 0.41 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 3ixj s VAL 249 Cb -0.19 -2.81 0.03 0.00 0.56 0.00 0.00 36.38 33.97 3ixj s VAL 249 CO 0.22 0.00 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.20 3ixj s ILE 250 N -3.20 2.16 -0.15 -0.62 1.01 -1.26 -4.05 121.20 115.09 3ixj s ILE 250 Ca 0.36 -1.04 -0.23 0.00 0.00 0.00 0.00 60.65 59.74 3ixj s ILE 250 Cb 0.09 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3ixj s ILE 250 CO 0.16 0.43 0.71 -0.63 0.00 0.00 0.00 174.94 175.61 3ixj s ILE 251 N 1.27 4.99 -0.28 2.92 1.01 -1.26 -1.67 121.20 128.18 3ixj s ILE 251 Ca 0.03 1.41 0.16 0.00 0.00 0.00 0.00 60.65 62.24 3ixj s ILE 251 Cb -0.14 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 38.08 3ixj s ILE 251 CO -0.11 0.13 0.46 1.33 0.00 0.00 0.00 174.94 176.75 3ixj n VAL 252 N 4.40 0.00 -3.57 2.92 0.24 0.64 -4.70 118.33 118.26 3ixj n VAL 252 Ca 0.00 -0.28 -0.15 0.00 -2.04 0.00 0.00 64.34 61.87 3ixj n VAL 252 Cb 0.50 0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 3ixj n VAL 252 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3ixj s ARG 253 N -2.86 0.90 -0.06 7.34 3.52 -1.22 -4.77 118.95 121.80 3ixj s ARG 253 Ca -0.02 0.50 0.02 0.00 -0.13 0.00 0.00 55.73 56.10 3ixj s ARG 253 Cb 0.11 0.43 0.01 0.00 -1.56 0.00 0.00 34.95 33.94 3ixj s ARG 253 CO 0.65 -0.23 -0.11 0.08 -0.81 0.00 0.00 175.30 174.89 3ixj s VAL 254 N -0.60 1.02 0.00 7.11 1.01 -1.26 -0.80 120.40 126.87 3ixj s VAL 254 Ca -0.06 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3ixj s VAL 254 Cb -0.02 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 3ixj s VAL 254 CO 0.05 0.33 -0.18 -1.61 0.00 0.00 0.00 175.10 173.69 3ixj s GLU 255 N 0.67 1.39 -0.20 2.72 2.02 -0.57 -0.89 118.70 123.83 3ixj s GLU 255 Ca -0.13 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.15 3ixj s GLU 255 Cb -0.15 -1.38 0.04 0.00 0.10 0.00 0.00 34.13 32.74 3ixj s GLU 255 CO 0.03 0.37 -0.13 0.42 0.02 0.00 0.00 175.26 175.97 3ixj s ILE 256 N -0.55 1.82 -1.53 -1.63 1.01 -0.27 -0.68 121.20 119.38 3ixj s ILE 256 Ca 0.07 -1.08 -0.10 0.00 0.00 0.00 0.00 60.65 59.53 3ixj s ILE 256 Cb -0.07 -1.83 0.08 0.00 0.01 0.00 0.00 42.46 40.64 3ixj s ILE 256 CO 0.00 0.23 0.76 0.59 0.00 0.00 0.00 174.94 176.52 3ixj n ASN 257 N 4.63 -2.87 0.00 3.58 3.02 -0.07 -1.82 115.26 121.73 3ixj n ASN 257 Ca -0.16 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3ixj n ASN 257 Cb 0.47 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 3ixj n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ixj n GLY 258 N -1.66 1.00 3.64 7.41 0.00 -1.26 -5.00 105.19 109.31 3ixj n GLY 258 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 3ixj n GLY 258 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ixj s GLN 259 N -0.07 4.04 0.20 1.61 -1.52 -0.76 -5.04 119.66 118.13 3ixj s GLN 259 Ca 0.00 -0.29 -0.31 0.00 -1.95 0.00 0.00 55.36 52.81 3ixj s GLN 259 Cb 0.00 -3.55 -0.10 0.00 -0.22 0.00 0.00 33.01 29.14 3ixj s GLN 259 CO 0.00 0.02 1.55 0.34 -0.25 0.00 0.00 175.29 176.94 3ixj s ASP 260 N 1.18 6.57 0.56 5.90 -1.08 -1.26 -1.11 116.67 127.42 3ixj s ASP 260 Ca 0.07 2.68 0.33 0.00 -0.52 0.00 0.00 52.55 55.12 3ixj s ASP 260 Cb -0.14 -2.61 1.56 0.00 -1.46 0.00 0.00 42.92 40.28 3ixj s ASP 260 CO 0.06 -0.81 2.07 0.25 0.52 0.00 0.00 175.17 177.26 3ixj h LEU 261 N 6.11 0.00 1.80 -1.34 5.85 -1.39 -3.47 115.31 122.87 3ixj h LEU 261 Ca -0.44 0.00 -0.41 0.00 0.84 0.00 0.00 57.88 57.87 3ixj h LEU 261 Cb 1.21 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.14 3ixj h LEU 261 CO 0.87 0.06 -0.44 0.29 -0.34 0.00 0.00 178.44 178.87 3ixj n LYS 262 N -3.26 -1.50 -2.80 1.25 5.02 -1.26 -4.99 118.16 110.61 3ixj n LYS 262 Ca -0.01 1.12 -0.29 0.00 -2.02 0.00 0.00 58.31 57.11 3ixj n LYS 262 Cb 0.25 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 3ixj n LYS 262 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3ixj s MET 263 N -4.28 3.67 0.03 1.97 -1.94 -1.26 -5.02 119.30 112.47 3ixj s MET 263 Ca 0.00 0.32 -0.34 0.00 -1.71 0.00 0.00 55.69 53.96 3ixj s MET 263 Cb 0.00 -2.40 -0.13 0.00 2.01 0.00 0.00 34.83 34.30 3ixj s MET 263 CO 0.00 -0.08 1.69 -3.47 -0.01 0.00 0.00 175.02 173.15 3ixj n ASP 264 N -1.65 3.10 0.16 3.03 2.03 -1.26 -4.86 116.55 117.09 3ixj n ASP 264 Ca 0.01 1.04 0.12 0.00 0.52 0.00 0.00 54.79 56.49 3ixj n ASP 264 Cb 0.54 -1.37 0.57 0.00 -0.72 0.00 0.00 41.12 40.14 3ixj n ASP 264 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ixj h LYS 266 N 0.00 0.32 -0.21 0.00 1.57 -1.77 -2.89 116.57 113.58 3ixj h LYS 266 Ca 0.00 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3ixj h LYS 266 Cb 0.21 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3ixj h LYS 266 CO 0.00 0.28 -0.03 0.93 -0.57 0.00 0.00 179.45 180.06 3ixj h GLU 267 N 0.32 0.31 0.00 3.15 4.39 -1.35 -2.46 114.58 118.94 3ixj h GLU 267 Ca 0.08 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3ixj h GLU 267 Cb 0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3ixj h GLU 267 CO -0.01 0.36 -0.34 1.88 -1.16 0.00 0.00 179.01 179.75 3ixj h TYR 268 N 0.30 0.00 -0.40 4.33 0.05 -1.65 -3.19 116.97 116.41 3ixj h TYR 268 Ca 0.07 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.57 3ixj h TYR 268 Cb 0.26 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.79 3ixj h TYR 268 CO 0.01 0.34 -0.53 0.09 -1.05 0.00 0.00 178.16 177.01 3ixj n ASN 269 N -3.79 3.40 -4.43 3.88 3.02 -0.96 -4.35 115.26 112.03 3ixj n ASN 269 Ca -0.01 -3.82 -0.41 0.00 -0.03 0.00 0.00 54.58 50.30 3ixj n ASN 269 Cb 0.42 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 39.00 3ixj n ASN 269 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3ixj s TYR 270 N -3.42 3.23 -2.38 3.10 5.04 -0.99 -1.96 117.35 119.98 3ixj s TYR 270 Ca 0.45 -0.70 0.24 0.00 -2.44 0.00 0.00 57.07 54.62 3ixj s TYR 270 Cb 0.40 -2.48 0.16 0.00 0.35 0.00 0.00 41.96 40.39 3ixj s TYR 270 CO -0.01 -0.57 1.21 -0.40 -1.34 0.00 0.00 175.55 174.45 3ixj n ASP 271 N 5.06 2.28 -3.57 4.32 5.75 -1.26 -3.45 116.55 125.67 3ixj n ASP 271 Ca -0.12 -1.64 -0.11 0.00 -0.01 0.00 0.00 54.79 52.91 3ixj n ASP 271 Cb 0.47 0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.80 3ixj n ASP 271 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3ixj s LYS 272 N -2.29 1.26 -0.11 0.11 -2.85 -0.83 -4.69 119.74 110.34 3ixj s LYS 272 Ca 0.23 -0.65 0.02 0.00 -1.00 0.00 0.00 55.97 54.57 3ixj s LYS 272 Cb 0.19 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.51 3ixj s LYS 272 CO 0.46 -0.53 -0.16 -1.12 0.10 0.00 0.00 175.35 174.10 3ixj s SER 273 N -2.80 2.47 0.14 0.03 0.01 -1.26 -0.28 113.70 112.01 3ixj s SER 273 Ca 0.04 -0.44 0.07 0.00 1.31 0.00 0.00 55.95 56.93 3ixj s SER 273 Cb -0.00 -1.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.08 3ixj s SER 273 CO -0.10 0.03 -0.15 0.27 0.41 0.00 0.00 173.24 173.70 3ixj s ILE 274 N 0.90 1.47 -0.28 1.44 -4.36 -0.43 -0.80 121.20 119.14 3ixj s ILE 274 Ca -0.08 -1.78 -0.11 0.00 -0.26 0.00 0.00 60.65 58.41 3ixj s ILE 274 Cb -0.15 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 3ixj s ILE 274 CO -0.00 -0.39 0.19 -0.69 0.24 0.00 0.00 174.94 174.28 3ixj s VAL 275 N -2.14 5.28 -0.18 8.37 1.01 -0.78 -0.67 120.40 131.29 3ixj s VAL 275 Ca 0.11 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 3ixj s VAL 275 Cb -0.05 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.86 3ixj s VAL 275 CO 0.04 0.24 0.05 -0.62 0.00 0.00 0.00 175.10 174.81 3ixj s ASP 276 N 1.75 2.61 0.46 3.32 2.15 -0.28 -4.44 116.67 122.24 3ixj s ASP 276 Ca 0.07 -0.69 0.29 0.00 0.43 0.00 0.00 52.55 52.64 3ixj s ASP 276 Cb -0.16 -0.45 0.99 0.00 -0.30 0.00 0.00 42.92 43.00 3ixj s ASP 276 CO 0.11 -0.31 1.83 0.77 -0.17 0.00 0.00 175.17 177.39 3ixj h SER 277 N 8.31 0.00 0.45 -0.34 4.64 -1.84 -3.23 113.55 121.54 3ixj h SER 277 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ixj h SER 277 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3ixj h SER 277 CO 0.31 0.00 -0.20 0.61 -0.87 0.00 0.00 176.83 176.68 3ixj n GLY 278 N 0.42 -1.01 3.63 -0.77 0.00 -1.25 -4.68 105.19 101.54 3ixj n GLY 278 Ca 0.02 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 3ixj n GLY 278 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s THR 279 N -2.66 4.30 0.04 2.61 2.01 -1.22 -5.04 115.64 115.69 3ixj s THR 279 Ca 0.22 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 3ixj s THR 279 Cb 0.19 -2.85 -0.15 0.00 0.01 0.00 0.00 72.50 69.70 3ixj s THR 279 CO 0.54 0.56 1.30 0.74 -0.69 0.00 0.00 174.62 177.07 3ixj h THR 280 N 4.50 1.37 -2.91 -0.82 2.02 -1.88 0.97 112.91 116.15 3ixj h THR 280 Ca -0.44 -1.46 -0.48 0.00 0.77 0.00 0.00 66.41 64.81 3ixj h THR 280 Cb 1.19 1.99 0.02 0.00 -1.74 0.00 0.00 68.15 69.60 3ixj h THR 280 CO 0.59 0.43 -0.14 0.20 0.37 0.00 0.00 175.52 176.97 3ixj s ASN 281 N -6.26 6.25 -0.57 4.18 -0.87 -1.26 -1.82 114.94 114.58 3ixj s ASN 281 Ca -0.14 0.51 -0.28 0.00 -1.57 0.00 0.00 52.86 51.38 3ixj s ASN 281 Cb 0.05 -2.02 0.03 0.00 -0.02 0.00 0.00 41.25 39.29 3ixj s ASN 281 CO 0.77 -0.38 1.22 -0.22 -2.57 0.00 0.00 177.10 175.92 3ixj s LEU 282 N -4.41 3.45 -0.17 0.60 2.96 -0.90 -2.14 118.68 118.08 3ixj s LEU 282 Ca 0.42 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.38 3ixj s LEU 282 Cb -0.10 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 3ixj s LEU 282 CO 0.38 -1.50 0.17 -0.13 -1.32 0.00 0.00 176.35 173.94 3ixj s ARG 283 N 5.01 3.99 0.06 1.98 0.52 0.47 -2.19 118.95 128.79 3ixj s ARG 283 Ca 0.45 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.61 3ixj s ARG 283 Cb -0.08 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 3ixj s ARG 283 CO 0.26 0.43 -0.22 -0.51 0.02 0.00 0.00 175.30 175.27 3ixj s LEU 284 N -0.04 2.21 0.49 2.53 1.43 0.07 -0.31 118.68 125.06 3ixj s LEU 284 Ca 0.12 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 3ixj s LEU 284 Cb -0.12 -1.04 -0.07 0.00 0.03 0.00 0.00 46.19 44.99 3ixj s LEU 284 CO 0.01 0.16 1.28 -2.65 0.23 0.00 0.00 176.35 175.38 3ixj n PRO 285 N 1.60 1.76 -0.25 1.29 -0.02 -1.26 -0.64 135.00 137.48 3ixj n PRO 285 Ca -0.18 0.64 -0.06 0.00 -2.02 0.00 0.00 63.50 61.88 3ixj n PRO 285 Cb 0.53 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 3ixj n PRO 285 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ixj n LYS 286 N -0.45 -0.25 -0.27 -0.52 4.81 -1.16 -0.24 118.16 120.09 3ixj n LYS 286 Ca 0.09 0.92 -0.02 0.00 -0.87 0.00 0.00 58.31 58.43 3ixj n LYS 286 Cb 0.42 -1.36 0.16 0.00 0.02 0.00 0.00 35.03 34.27 3ixj n LYS 286 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3ixj h LYS 287 N 0.00 1.12 -0.04 1.64 1.57 -1.93 -1.32 116.57 117.61 3ixj h LYS 287 Ca 0.12 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 3ixj h LYS 287 Cb 0.27 -0.23 0.02 0.00 0.08 0.00 0.00 32.23 32.36 3ixj h LYS 287 CO -0.58 0.80 -0.86 0.28 -0.57 0.00 0.00 179.45 178.51 3ixj h VAL 288 N 1.13 1.31 -0.37 0.50 2.07 -1.21 -2.54 116.25 117.14 3ixj h VAL 288 Ca 0.29 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.71 3ixj h VAL 288 Cb -0.02 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3ixj h VAL 288 CO -0.05 0.65 0.19 0.15 0.02 0.00 0.00 177.57 178.53 3ixj h PHE 289 N 0.30 0.34 -0.52 1.57 3.57 -0.36 -0.31 116.94 121.53 3ixj h PHE 289 Ca -0.10 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.35 3ixj h PHE 289 Cb 1.52 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.14 3ixj h PHE 289 CO 0.11 0.18 0.06 0.93 -2.23 0.00 0.00 178.31 177.36 3ixj h GLU 290 N 0.38 0.85 -0.18 1.11 5.08 -1.27 -1.26 114.58 119.29 3ixj h GLU 290 Ca 0.15 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.19 3ixj h GLU 290 Cb 0.06 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3ixj h GLU 290 CO -0.10 0.81 -0.38 0.00 -1.00 0.00 0.00 179.01 178.34 3ixj h ALA 291 N 1.26 1.02 -0.07 3.43 0.00 -1.16 -2.61 119.26 121.12 3ixj h ALA 291 Ca 0.16 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3ixj h ALA 291 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ixj h ALA 291 CO 0.01 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.72 3ixj h ALA 292 N 1.27 0.11 -0.68 0.00 0.00 -0.71 -2.85 119.26 116.40 3ixj h ALA 292 Ca 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ixj h ALA 292 Cb 0.82 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3ixj h ALA 292 CO 0.07 0.01 0.39 0.28 0.00 0.00 0.00 179.25 179.99 3ixj h VAL 293 N -0.26 1.21 -0.96 0.00 2.07 -1.31 -0.85 116.25 116.15 3ixj h VAL 293 Ca 0.00 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.14 3ixj h VAL 293 Cb 0.73 0.30 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 3ixj h VAL 293 CO 0.03 0.22 0.61 0.50 0.02 0.00 0.00 177.57 178.96 3ixj h LYS 294 N 0.93 0.93 -0.04 1.57 3.64 -1.52 0.30 116.57 122.39 3ixj h LYS 294 Ca 0.24 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.40 3ixj h LYS 294 Cb 0.01 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3ixj h LYS 294 CO -0.04 0.61 -0.63 0.77 -2.27 0.00 0.00 179.45 177.90 3ixj h SER 295 N 0.96 0.61 -0.26 4.20 0.02 -1.18 -2.32 113.55 115.57 3ixj h SER 295 Ca 0.46 -0.72 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 3ixj h SER 295 Cb 0.46 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3ixj h SER 295 CO -0.23 1.25 -0.13 0.40 -1.14 0.00 0.00 176.83 176.98 3ixj h ILE 296 N 0.04 1.25 -0.20 3.27 2.04 -0.89 -1.45 117.51 121.57 3ixj h ILE 296 Ca -0.07 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 3ixj h ILE 296 Cb 1.31 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 3ixj h ILE 296 CO 0.13 0.39 0.05 0.50 0.00 0.00 0.00 178.15 179.21 3ixj h LYS 297 N 0.62 0.32 -0.66 2.37 3.64 -0.49 -2.17 116.57 120.21 3ixj h LYS 297 Ca 0.10 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3ixj h LYS 297 Cb 0.59 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 3ixj h LYS 297 CO 0.04 0.45 0.37 0.00 -2.27 0.00 0.00 179.45 178.04 3ixj h ALA 298 N 0.86 0.89 -0.01 5.00 0.00 -1.22 -0.57 119.26 124.19 3ixj h ALA 298 Ca 0.06 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3ixj h ALA 298 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3ixj h ALA 298 CO 0.00 0.05 -0.41 0.00 0.00 0.00 0.00 179.25 178.89 3ixj h ALA 299 N 1.34 1.30 -0.28 0.00 0.00 -1.18 -3.04 119.26 117.40 3ixj h ALA 299 Ca 0.30 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ixj h ALA 299 Cb 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ixj h ALA 299 CO -0.18 0.52 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3ixj n SER 300 N -4.05 3.96 0.00 0.00 3.41 -0.82 -4.68 113.62 111.45 3ixj n SER 300 Ca -0.02 -3.03 0.05 0.00 -0.26 0.00 0.00 58.87 55.61 3ixj n SER 300 Cb 0.44 -0.56 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 3ixj n SER 300 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ixj n SER 301 N -0.47 0.00 0.19 4.04 3.41 -0.25 -1.57 113.62 118.97 3ixj n SER 301 Ca 0.22 0.07 0.04 0.00 -0.26 0.00 0.00 58.87 58.94 3ixj n SER 301 Cb 0.92 -0.24 0.38 0.00 -0.26 0.00 0.00 64.21 65.00 3ixj n SER 301 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3ixj h THR 302 N 0.00 1.16 -1.71 6.66 2.02 -1.85 -3.46 112.91 115.72 3ixj h THR 302 Ca 0.00 -1.31 -0.58 0.00 0.77 0.00 0.00 66.41 65.30 3ixj h THR 302 Cb 0.08 1.73 -0.10 0.00 -1.74 0.00 0.00 68.15 68.12 3ixj h THR 302 CO 0.00 0.36 -0.55 -1.61 0.37 0.00 0.00 175.52 174.09 3ixj s GLU 303 N -4.06 2.16 -0.29 6.66 2.02 -0.61 -5.12 118.70 119.47 3ixj s GLU 303 Ca -0.02 -1.83 -0.12 0.00 0.02 0.00 0.00 54.97 53.01 3ixj s GLU 303 Cb 0.14 -1.93 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 3ixj s GLU 303 CO 0.71 -0.02 0.23 0.15 0.02 0.00 0.00 175.26 176.35 3ixj s LYS 304 N -3.82 3.91 -0.03 1.61 1.02 -1.26 -5.06 119.74 116.11 3ixj s LYS 304 Ca 0.38 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.10 3ixj s LYS 304 Cb 0.03 -3.68 0.01 0.00 -0.52 0.00 0.00 37.83 33.68 3ixj s LYS 304 CO 0.21 -0.23 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.29 3ixj s PHE 305 N 1.82 0.75 0.32 3.18 0.08 -1.26 -5.04 117.98 117.83 3ixj s PHE 305 Ca 0.08 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 3ixj s PHE 305 Cb -0.16 -0.60 -0.11 0.00 -0.57 0.00 0.00 43.02 41.58 3ixj s PHE 305 CO 0.11 -0.13 1.47 -1.25 -0.10 0.00 0.00 175.22 175.32 3ixj s PRO 306 N 0.50 4.19 0.04 0.24 0.04 -1.26 -4.90 135.00 133.86 3ixj s PRO 306 Ca -0.07 2.45 0.14 0.00 0.04 0.00 0.00 61.00 63.56 3ixj s PRO 306 Cb -0.10 -3.03 0.60 0.00 0.04 0.00 0.00 34.50 32.00 3ixj s PRO 306 CO 0.00 -0.47 1.44 -0.40 0.04 0.00 0.00 177.00 177.61 3ixj n ASP 307 N 1.34 0.11 0.25 6.66 5.68 -1.26 -0.50 116.55 128.82 3ixj n ASP 307 Ca 0.04 0.53 0.15 0.00 -0.50 0.00 0.00 54.79 55.01 3ixj n ASP 307 Cb 0.39 -0.55 0.48 0.00 -1.14 0.00 0.00 41.12 40.31 3ixj n ASP 307 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3ixj h GLY 308 N 2.04 0.00 1.01 6.12 0.00 -1.96 -3.08 103.07 107.20 3ixj h GLY 308 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3ixj h GLY 308 CO 0.00 0.00 0.25 -2.75 0.00 0.00 0.00 176.54 174.04 3ixj h PHE 309 N 0.00 1.00 0.00 5.60 3.57 -0.99 -0.44 116.94 125.67 3ixj h PHE 309 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 3ixj h PHE 309 Cb 0.69 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3ixj h PHE 309 CO 0.00 0.79 0.00 0.91 -2.23 0.00 0.00 178.31 177.78 3ixj n TRP 310 N -4.40 0.71 0.98 0.41 7.02 -1.16 -1.27 117.44 119.73 3ixj n TRP 310 Ca 0.04 0.30 0.11 0.00 -1.02 0.00 0.00 57.50 56.94 3ixj n TRP 310 Cb 0.18 -0.98 0.04 0.00 -2.42 0.00 0.00 31.31 28.13 3ixj n TRP 310 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3ixj n LEU 311 N -2.16 2.42 -0.09 -0.99 4.77 -1.07 -4.95 117.00 114.92 3ixj n LEU 311 Ca 0.01 -0.86 -0.01 0.00 -0.03 0.00 0.00 56.01 55.12 3ixj n LEU 311 Cb 0.17 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3ixj n LEU 311 CO 0.16 0.43 -0.01 0.61 -1.33 0.00 0.00 177.39 177.25 3ixj n GLY 312 N 1.37 0.47 0.08 -0.72 0.00 -0.39 -4.94 105.19 101.06 3ixj n GLY 312 Ca 0.11 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.09 3ixj n GLY 312 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ixj n GLU 313 N -2.94 0.65 -4.26 1.61 1.02 -0.20 -4.93 120.64 111.58 3ixj n GLU 313 Ca -0.01 0.06 -0.15 0.00 -0.02 0.00 0.00 57.16 57.03 3ixj n GLU 313 Cb 0.05 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.71 3ixj n GLU 313 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3ixj s GLN 314 N -2.92 1.10 0.17 3.49 -0.21 -1.16 -4.96 119.66 115.16 3ixj s GLN 314 Ca -0.06 -1.44 0.04 0.00 0.02 0.00 0.00 55.36 53.91 3ixj s GLN 314 Cb 0.09 -0.75 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 3ixj s GLN 314 CO 0.84 0.11 0.24 -0.51 -2.12 0.00 0.00 175.29 173.85 3ixj s LEU 315 N -3.09 4.15 -0.08 2.90 1.43 -1.26 -4.38 118.68 118.34 3ixj s LEU 315 Ca 0.16 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 3ixj s LEU 315 Cb 0.01 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3ixj s LEU 315 CO 0.02 0.04 -0.10 0.68 0.23 0.00 0.00 176.35 177.22 3ixj s VAL 316 N -1.78 3.38 0.14 -1.59 -7.23 -0.94 -4.93 120.40 107.44 3ixj s VAL 316 Ca 0.33 -0.58 0.10 0.00 -1.81 0.00 0.00 61.98 60.02 3ixj s VAL 316 Cb -0.10 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 3ixj s VAL 316 CO 0.27 0.57 -0.23 0.00 -0.31 0.00 0.00 175.10 175.40 3ixj s TRP 318 N -1.34 0.12 -0.10 0.00 0.51 -0.60 -4.96 118.94 112.57 3ixj s TRP 318 Ca 0.13 -0.25 -0.39 0.00 -2.12 0.00 0.00 56.10 53.47 3ixj s TRP 318 Cb -0.09 -0.09 -0.17 0.00 -0.81 0.00 0.00 33.47 32.31 3ixj s TRP 318 CO 0.06 -0.09 1.49 0.94 -0.51 0.00 0.00 176.95 178.83 3ixj n GLN 319 N 2.36 0.98 -1.69 4.98 7.27 -1.26 -1.02 117.38 129.00 3ixj n GLN 319 Ca -0.18 0.36 -0.56 0.00 0.07 0.00 0.00 57.00 56.69 3ixj n GLN 319 Cb 0.58 -1.99 -0.07 0.00 2.41 0.00 0.00 30.24 31.16 3ixj n GLN 319 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3ixj n ALA 320 N 3.61 -0.25 -0.52 1.69 0.00 -0.99 -0.91 120.51 123.14 3ixj n ALA 320 Ca 0.22 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3ixj n ALA 320 Cb 0.14 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.38 3ixj n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ixj n GLY 321 N 3.98 0.74 0.21 0.00 0.00 -1.26 -4.93 105.19 103.93 3ixj n GLY 321 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 3ixj n GLY 321 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ixj n THR 322 N -2.46 1.81 -1.69 2.61 -2.24 -0.09 -5.04 114.28 107.19 3ixj n THR 322 Ca 0.00 -2.01 -0.42 0.00 -2.27 0.00 0.00 64.05 59.35 3ixj n THR 322 Cb 0.00 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 3ixj n THR 322 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ixj n THR 323 N -1.12 0.41 -2.14 4.28 -1.04 -1.26 -4.87 114.28 108.55 3ixj n THR 323 Ca 0.15 -0.07 -0.42 0.00 -2.04 0.00 0.00 64.05 61.66 3ixj n THR 323 Cb 0.62 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.96 3ixj n THR 323 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3ixj n PRO 324 N 5.89 3.38 0.09 -2.82 -0.04 -1.26 -4.76 135.00 135.48 3ixj n PRO 324 Ca 0.18 -3.23 0.08 0.00 -0.04 0.00 0.00 63.50 60.49 3ixj n PRO 324 Cb 0.38 -3.04 0.54 0.00 -0.04 0.00 0.00 33.50 31.35 3ixj n PRO 324 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3ixj h TRP 325 N 5.82 0.25 -0.17 0.54 4.06 -1.96 -2.74 115.95 121.75 3ixj h TRP 325 Ca 0.45 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.46 3ixj h TRP 325 Cb 0.63 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 3ixj h TRP 325 CO 1.32 0.15 0.14 -2.95 -3.56 0.00 0.00 178.44 173.54 3ixj h ASN 326 N 0.26 0.00 0.70 -3.49 -1.07 -2.02 -2.48 115.58 107.49 3ixj h ASN 326 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.48 3ixj h ASN 326 Cb 0.13 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.38 3ixj h ASN 326 CO -0.02 0.00 -0.45 2.30 0.07 0.00 0.00 177.43 179.32 3ixj n ILE 327 N -4.15 0.12 -3.49 6.14 -5.35 -1.03 -4.79 119.36 106.81 3ixj n ILE 327 Ca 0.01 -0.09 -0.37 0.00 -0.27 0.00 0.00 62.75 62.04 3ixj n ILE 327 Cb 0.27 0.01 -0.07 0.00 -1.74 0.00 0.00 39.64 38.11 3ixj n ILE 327 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ixj s PHE 328 N -3.05 3.48 0.64 4.28 0.08 -0.93 -3.20 117.98 119.27 3ixj s PHE 328 Ca 0.10 0.67 -0.13 0.00 0.12 0.00 0.00 56.93 57.69 3ixj s PHE 328 Cb 0.16 -2.39 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 3ixj s PHE 328 CO 0.68 0.23 1.05 -1.25 -0.10 0.00 0.00 175.22 175.83 3ixj s PRO 329 N 0.47 3.18 0.38 0.24 0.04 -1.26 -4.71 135.00 133.34 3ixj s PRO 329 Ca 0.19 1.06 -0.22 0.00 0.04 0.00 0.00 61.00 62.06 3ixj s PRO 329 Cb -0.13 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 3ixj s PRO 329 CO 0.05 -0.91 0.92 0.14 0.04 0.00 0.00 177.00 177.24 3ixj s VAL 330 N -2.77 4.37 -0.14 -0.36 -7.23 -1.26 -4.25 120.40 108.76 3ixj s VAL 330 Ca 0.60 1.53 0.02 0.00 -1.81 0.00 0.00 61.98 62.32 3ixj s VAL 330 Cb -0.14 -3.73 0.01 0.00 0.56 0.00 0.00 36.38 33.07 3ixj s VAL 330 CO 0.46 -0.15 -0.21 -0.63 -0.31 0.00 0.00 175.10 174.26 3ixj s ILE 331 N -1.97 2.20 -0.18 -0.62 1.01 -0.93 -0.89 121.20 119.82 3ixj s ILE 331 Ca 0.57 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 3ixj s ILE 331 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 3ixj s ILE 331 CO 0.17 0.54 -0.05 -0.44 0.00 0.00 0.00 174.94 175.16 3ixj s SER 332 N 0.75 4.51 -0.26 3.58 0.01 0.15 -1.00 113.70 121.43 3ixj s SER 332 Ca -0.08 -0.26 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 3ixj s SER 332 Cb -0.16 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.31 3ixj s SER 332 CO -0.00 0.09 0.06 -0.76 0.41 0.00 0.00 173.24 173.03 3ixj s LEU 333 N 0.84 3.51 -0.18 2.44 1.43 -0.53 -1.51 118.68 124.69 3ixj s LEU 333 Ca -0.01 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.46 3ixj s LEU 333 Cb -0.15 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3ixj s LEU 333 CO 0.01 -0.10 0.52 -0.31 0.23 0.00 0.00 176.35 176.71 3ixj s TYR 334 N 1.55 3.41 0.01 0.29 1.51 0.02 -1.44 117.35 122.71 3ixj s TYR 334 Ca 0.05 0.83 0.03 0.00 -1.01 0.00 0.00 57.07 56.97 3ixj s TYR 334 Cb -0.16 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.00 3ixj s TYR 334 CO 0.02 -0.04 -0.04 -0.51 -1.11 0.00 0.00 175.55 173.87 3ixj s LEU 335 N 1.39 3.31 0.26 -1.29 1.43 0.55 -0.26 118.68 124.07 3ixj s LEU 335 Ca 0.25 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 3ixj s LEU 335 Cb -0.15 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 44.01 3ixj s LEU 335 CO 0.10 0.27 1.36 0.80 0.23 0.00 0.00 176.35 179.11 3ixj n MET 336 N 1.36 2.02 -0.26 1.70 0.00 -0.67 -2.08 117.12 119.19 3ixj n MET 336 Ca -0.15 0.72 0.00 0.00 -0.00 0.00 0.00 57.70 58.27 3ixj n MET 336 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.40 3ixj n MET 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ixj n GLY 337 N 1.82 1.30 0.09 -5.12 0.00 0.92 -4.09 105.19 100.10 3ixj n GLY 337 Ca 0.10 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3ixj n GLY 337 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ixj n GLU 338 N -0.34 0.63 -4.07 1.61 1.02 -1.25 -4.45 120.64 113.79 3ixj n GLU 338 Ca 0.00 0.18 -0.24 0.00 -0.02 0.00 0.00 57.16 57.09 3ixj n GLU 338 Cb 0.00 -1.77 -0.07 0.00 -0.02 0.00 0.00 31.44 29.58 3ixj n GLU 338 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3ixj s VAL 339 N -2.94 2.55 0.21 2.62 -7.23 -1.26 -5.08 120.40 109.27 3ixj s VAL 339 Ca -0.04 -1.67 -0.32 0.00 -1.81 0.00 0.00 61.98 58.14 3ixj s VAL 339 Cb 0.09 -2.98 -0.13 0.00 0.56 0.00 0.00 36.38 33.92 3ixj s VAL 339 CO 0.82 -0.06 1.54 0.41 -0.31 0.00 0.00 175.10 177.49 3ixj n THR 340 N -1.23 0.45 -1.84 5.32 -1.04 -1.26 -2.51 114.28 112.17 3ixj n THR 340 Ca -0.01 -0.11 -0.19 0.00 -2.04 0.00 0.00 64.05 61.70 3ixj n THR 340 Cb 0.63 -1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.47 3ixj n THR 340 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ixj n ASN 341 N 2.88 -5.05 -4.34 8.00 5.03 -1.26 -4.97 115.26 115.55 3ixj n ASN 341 Ca 0.14 0.31 -0.32 0.00 0.87 0.00 0.00 54.58 55.58 3ixj n ASN 341 Cb 0.31 -4.41 -0.15 0.00 -1.02 0.00 0.00 39.78 34.52 3ixj n ASN 341 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 3ixj s GLN 342 N -4.08 2.76 0.38 3.52 -0.44 -1.04 -0.66 119.66 120.09 3ixj s GLN 342 Ca 0.00 -0.80 0.04 0.00 -2.50 0.00 0.00 55.36 52.10 3ixj s GLN 342 Cb 0.00 -2.34 -0.03 0.00 -1.64 0.00 0.00 33.01 29.01 3ixj s GLN 342 CO 0.00 0.39 0.15 -1.54 0.50 0.00 0.00 175.29 174.79 3ixj s SER 343 N -0.16 2.45 0.08 6.67 1.04 -0.10 -0.06 113.70 123.63 3ixj s SER 343 Ca -0.02 -1.65 -0.09 0.00 0.48 0.00 0.00 55.95 54.67 3ixj s SER 343 Cb -0.14 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 3ixj s SER 343 CO 0.04 -0.92 0.19 0.72 0.98 0.00 0.00 173.24 174.25 3ixj s PHE 344 N -3.30 0.13 0.14 5.02 -0.71 -0.89 -0.28 117.98 118.09 3ixj s PHE 344 Ca 0.28 -0.53 0.10 0.00 -1.04 0.00 0.00 56.93 55.75 3ixj s PHE 344 Cb 0.03 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.75 3ixj s PHE 344 CO 0.16 -0.53 -0.22 -0.98 -1.34 0.00 0.00 175.22 172.32 3ixj s ARG 345 N -3.66 1.61 -0.12 1.99 1.70 -0.06 -0.33 118.95 120.07 3ixj s ARG 345 Ca 0.03 -1.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.01 3ixj s ARG 345 Cb 0.04 -1.99 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 3ixj s ARG 345 CO -0.10 0.45 -0.21 0.96 -1.08 0.00 0.00 175.30 175.32 3ixj s ILE 346 N -1.24 1.92 -0.18 4.99 -4.36 -0.52 -1.29 121.20 120.51 3ixj s ILE 346 Ca 0.17 -0.90 -0.06 0.00 -0.26 0.00 0.00 60.65 59.60 3ixj s ILE 346 Cb -0.10 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 3ixj s ILE 346 CO 0.09 0.52 0.03 -0.89 0.24 0.00 0.00 174.94 174.93 3ixj s THR 347 N 0.74 4.37 0.01 8.37 2.01 0.19 -1.45 115.64 129.88 3ixj s THR 347 Ca -0.10 -0.18 0.01 0.00 0.31 0.00 0.00 61.69 61.74 3ixj s THR 347 Cb -0.16 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 3ixj s THR 347 CO 0.01 0.45 0.02 0.27 -0.69 0.00 0.00 174.62 174.68 3ixj s ILE 348 N 0.59 4.27 0.39 1.82 -4.36 -0.17 -2.93 121.20 120.81 3ixj s ILE 348 Ca 0.01 -0.59 -0.03 0.00 -0.26 0.00 0.00 60.65 59.78 3ixj s ILE 348 Cb -0.14 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.61 3ixj s ILE 348 CO 0.02 0.35 0.64 -0.76 0.24 0.00 0.00 174.94 175.43 3ixj s LEU 349 N -1.67 3.87 0.58 0.37 1.43 -1.26 -2.18 118.68 119.82 3ixj s LEU 349 Ca 0.21 0.68 0.28 0.00 -1.03 0.00 0.00 54.13 54.27 3ixj s LEU 349 Cb -0.12 -3.57 1.67 0.00 0.03 0.00 0.00 46.19 44.20 3ixj s LEU 349 CO 0.12 -0.39 2.15 1.55 0.23 0.00 0.00 176.35 180.01 3ixj h PRO 350 N 0.72 0.00 0.00 1.29 0.13 -1.84 -0.90 132.00 131.39 3ixj h PRO 350 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ixj h PRO 350 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3ixj h PRO 350 CO 0.62 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.35 3ixj h GLN 351 N 0.00 0.00 0.18 0.86 7.50 -1.94 0.41 115.11 122.12 3ixj h GLN 351 Ca 0.06 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.86 3ixj h GLN 351 Cb 0.33 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.86 3ixj h GLN 351 CO -0.00 0.00 -1.76 1.96 -1.50 0.00 0.00 178.83 177.53 3ixj h GLN 352 N 0.00 0.38 -0.01 1.46 4.20 -1.49 -3.40 115.11 116.25 3ixj h GLN 352 Ca 0.00 -0.64 0.00 0.00 0.06 0.00 0.00 58.65 58.07 3ixj h GLN 352 Cb 0.09 0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3ixj h GLN 352 CO 0.00 1.30 -0.56 2.48 -0.67 0.00 0.00 178.83 181.38 3ixj n TYR 353 N -3.57 0.00 -3.59 2.96 0.18 -0.96 -4.60 117.16 107.58 3ixj n TYR 353 Ca -0.25 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.13 3ixj n TYR 353 Cb 1.07 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.95 3ixj n TYR 353 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3ixj s LEU 354 N -2.52 5.67 -0.12 -3.48 1.43 0.14 -0.48 118.68 119.32 3ixj s LEU 354 Ca 0.16 -2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 50.92 3ixj s LEU 354 Cb 0.17 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3ixj s LEU 354 CO 0.60 -0.61 0.40 -0.13 0.23 0.00 0.00 176.35 176.84 3ixj s ARG 355 N 0.96 4.25 0.01 1.70 0.52 -0.61 -4.66 118.95 121.13 3ixj s ARG 355 Ca 0.09 0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 3ixj s ARG 355 Cb -0.23 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.78 3ixj s ARG 355 CO -0.02 0.26 1.34 -1.25 0.02 0.00 0.00 175.30 175.65 3ixj s PRO 356 N 0.34 4.32 -0.29 3.54 0.04 -1.26 -0.75 135.00 140.94 3ixj s PRO 356 Ca 0.22 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.10 3ixj s PRO 356 Cb -0.14 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.90 3ixj s PRO 356 CO 0.08 -0.50 0.08 0.08 0.04 0.00 0.00 177.00 176.78 3ixj s VAL 357 N 2.04 4.04 0.26 -0.36 1.01 0.48 -4.92 120.40 122.96 3ixj s VAL 357 Ca 0.62 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 3ixj s VAL 357 Cb -0.31 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.94 3ixj s VAL 357 CO 0.27 0.13 1.09 -0.70 0.00 0.00 0.00 175.10 175.88 3ixj s GLU 358 N 1.52 4.65 0.23 2.72 2.56 -1.26 -4.44 118.70 124.69 3ixj s GLU 358 Ca 0.03 1.77 0.00 0.00 0.00 0.00 0.00 54.97 56.77 3ixj s GLU 358 Cb -0.17 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.75 3ixj s GLU 358 CO 0.03 0.22 0.00 0.45 -0.56 0.00 0.00 175.26 175.39 3ixj n SER 363 N 1.38 -3.92 -3.31 -1.70 2.88 -1.26 -5.01 113.62 102.68 3ixj n SER 363 Ca -0.01 0.62 -0.40 0.00 -1.33 0.00 0.00 58.87 57.76 3ixj n SER 363 Cb 0.45 -1.47 0.02 0.00 -0.75 0.00 0.00 64.21 62.46 3ixj n SER 363 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ixj n GLN 364 N -1.34 4.29 -4.29 -1.46 3.00 -1.26 -4.96 117.38 111.36 3ixj n GLN 364 Ca 0.00 -4.03 -0.29 0.00 -0.01 0.00 0.00 57.00 52.67 3ixj n GLN 364 Cb 0.08 -2.40 -0.11 0.00 0.00 0.00 0.00 30.24 27.81 3ixj n GLN 364 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3ixj s ASP 365 N -0.99 4.03 -0.38 1.08 1.11 -1.26 -2.34 116.67 117.92 3ixj s ASP 365 Ca 0.46 -0.54 -0.13 0.00 0.18 0.00 0.00 52.55 52.52 3ixj s ASP 365 Cb 0.28 -0.62 0.02 0.00 1.07 0.00 0.00 42.92 43.67 3ixj s ASP 365 CO -0.23 0.16 0.25 -1.81 1.18 0.00 0.00 175.17 174.72 3ixj s ASP 366 N -2.28 5.91 -0.04 0.27 1.01 -0.19 -4.82 116.67 116.53 3ixj s ASP 366 Ca 0.20 -0.87 0.03 0.00 0.71 0.00 0.00 52.55 52.62 3ixj s ASP 366 Cb -0.10 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 3ixj s ASP 366 CO 0.12 -0.39 -0.12 0.00 0.21 0.00 0.00 175.17 174.99 3ixj s TYR 368 N -0.80 0.81 -0.05 0.00 2.02 -0.27 -0.38 117.35 118.68 3ixj s TYR 368 Ca 0.13 -0.63 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 3ixj s TYR 368 Cb -0.11 -0.47 -0.03 0.00 -0.40 0.00 0.00 41.96 40.95 3ixj s TYR 368 CO 0.02 -0.08 -0.12 0.21 -1.57 0.00 0.00 175.55 174.00 3ixj s LYS 369 N -2.37 2.57 -0.34 -0.62 2.20 0.08 -2.22 119.74 119.03 3ixj s LYS 369 Ca -0.02 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.65 3ixj s LYS 369 Cb -0.05 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 3ixj s LYS 369 CO -0.01 0.63 1.53 0.12 -0.36 0.00 0.00 175.35 177.26 3ixj s PHE 370 N -0.74 2.24 -0.34 4.03 5.36 -1.26 -1.57 117.98 125.70 3ixj s PHE 370 Ca 0.11 0.66 0.08 0.00 -0.96 0.00 0.00 56.93 56.83 3ixj s PHE 370 Cb -0.11 -4.15 0.61 0.00 -0.34 0.00 0.00 43.02 39.03 3ixj s PHE 370 CO 0.01 -2.37 1.68 0.00 -1.46 0.00 0.00 175.22 173.07 3ixj n ALA 371 N 8.94 4.69 -3.19 11.12 0.00 0.37 -4.44 120.51 138.00 3ixj n ALA 371 Ca 0.18 -2.85 -0.34 0.00 0.00 0.00 0.00 53.44 50.43 3ixj n ALA 371 Cb 0.47 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 3ixj n ALA 371 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ixj s ILE 372 N -3.19 3.67 0.16 0.00 1.01 -1.26 -2.13 121.20 119.46 3ixj s ILE 372 Ca 0.50 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.74 3ixj s ILE 372 Cb 0.43 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3ixj s ILE 372 CO 0.07 0.45 0.04 -0.94 0.00 0.00 0.00 174.94 174.55 3ixj s SER 373 N 0.96 0.72 0.33 3.58 1.04 -0.93 -4.89 113.70 114.51 3ixj s SER 373 Ca 0.00 -1.21 -0.13 0.00 0.48 0.00 0.00 55.95 55.09 3ixj s SER 373 Cb -0.15 0.22 -0.08 0.00 0.10 0.00 0.00 66.02 66.11 3ixj s SER 373 CO 0.01 -0.67 0.71 -1.58 0.98 0.00 0.00 173.24 172.70 3ixj s GLN 374 N -4.00 3.93 -0.00 4.02 0.74 -1.26 -0.75 119.66 122.34 3ixj s GLN 374 Ca 0.25 0.57 -0.04 0.00 0.05 0.00 0.00 55.36 56.19 3ixj s GLN 374 Cb 0.07 -2.45 -0.00 0.00 1.10 0.00 0.00 33.01 31.72 3ixj s GLN 374 CO 0.04 0.14 0.08 0.45 -0.55 0.00 0.00 175.29 175.45 3ixj s SER 375 N -2.47 0.06 -0.01 6.67 0.15 0.19 -4.74 113.70 113.55 3ixj s SER 375 Ca 0.53 -0.20 0.11 0.00 0.70 0.00 0.00 55.95 57.09 3ixj s SER 375 Cb -0.10 0.18 0.33 0.00 -1.71 0.00 0.00 66.02 64.71 3ixj s SER 375 CO 0.21 -0.28 1.27 -1.54 1.20 0.00 0.00 173.24 174.10 3ixj n SER 376 N 1.84 3.01 -0.27 5.45 3.41 -1.26 -2.97 113.62 122.82 3ixj n SER 376 Ca -0.21 -2.06 0.07 0.00 -0.26 0.00 0.00 58.87 56.41 3ixj n SER 376 Cb 0.56 -0.26 0.12 0.00 -0.26 0.00 0.00 64.21 64.37 3ixj n SER 376 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3ixj n THR 377 N 0.48 1.51 0.00 6.66 -2.24 -1.26 -4.83 114.28 114.59 3ixj n THR 377 Ca 0.12 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.98 3ixj n THR 377 Cb 0.46 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3ixj n THR 377 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ixj n GLY 378 N -1.05 -3.58 3.72 3.38 0.00 -1.22 -4.34 105.19 102.08 3ixj n GLY 378 Ca 0.13 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 3ixj n GLY 378 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ixj s THR 379 N -0.83 3.99 -0.30 2.61 2.01 0.62 -4.31 115.64 119.43 3ixj s THR 379 Ca 0.00 1.45 -0.00 0.00 0.31 0.00 0.00 61.69 63.45 3ixj s THR 379 Cb 0.00 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.64 3ixj s THR 379 CO 0.00 0.13 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.35 3ixj s VAL 380 N 0.94 2.73 -0.99 3.82 1.01 0.58 -1.32 120.40 127.18 3ixj s VAL 380 Ca 0.58 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3ixj s VAL 380 Cb -0.30 -2.62 0.07 0.00 0.00 0.00 0.00 36.38 33.54 3ixj s VAL 380 CO 0.30 -0.14 1.36 -0.04 0.00 0.00 0.00 175.10 176.58 3ixj s MET 381 N 1.19 3.58 0.00 2.72 -1.94 0.16 -0.40 119.30 124.61 3ixj s MET 381 Ca -0.05 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.66 3ixj s MET 381 Cb -0.20 -5.21 0.00 0.00 2.01 0.00 0.00 34.83 31.43 3ixj s MET 381 CO -0.03 -2.09 0.00 0.41 -0.01 0.00 0.00 175.02 173.30 3ixj n GLY 382 N 6.48 0.65 0.32 -0.03 0.00 -0.91 -1.13 105.19 110.57 3ixj n GLY 382 Ca 0.30 -1.73 0.06 0.00 0.00 0.00 0.00 46.02 44.64 3ixj n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ixj h ALA 383 N -1.62 1.77 -0.71 4.61 0.00 -0.58 -1.37 119.26 121.36 3ixj h ALA 383 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 3ixj h ALA 383 Cb 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.53 3ixj h ALA 383 CO 0.00 0.18 0.13 0.28 0.00 0.00 0.00 179.25 179.84 3ixj h VAL 384 N 0.53 0.50 0.04 0.00 2.07 -1.62 0.16 116.25 117.93 3ixj h VAL 384 Ca 0.18 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3ixj h VAL 384 Cb 0.07 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3ixj h VAL 384 CO -0.04 0.04 -0.02 0.40 0.02 0.00 0.00 177.57 177.97 3ixj h ILE 385 N 0.23 1.32 0.00 4.57 1.08 -1.75 -3.38 117.51 119.57 3ixj h ILE 385 Ca 0.39 -1.67 -0.05 0.00 -0.39 0.00 0.00 64.86 63.14 3ixj h ILE 385 Cb 0.67 2.35 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 3ixj h ILE 385 CO -0.52 0.39 -0.24 0.24 -0.69 0.00 0.00 178.15 177.33 3ixj h MET 386 N -0.86 0.00 0.00 2.37 2.86 -0.87 -3.06 114.93 115.38 3ixj h MET 386 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3ixj h MET 386 Cb 0.69 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 3ixj h MET 386 CO 0.01 0.24 -0.18 0.93 1.06 0.00 0.00 176.91 178.98 3ixj h GLU 387 N 0.00 0.00 0.00 1.72 5.08 -0.88 -1.82 114.58 118.68 3ixj h GLU 387 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ixj h GLU 387 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ixj h GLU 387 CO 0.03 0.18 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3ixj n GLY 388 N -0.97 -1.20 3.06 -3.84 0.00 -1.16 -4.61 105.19 96.48 3ixj n GLY 388 Ca -0.02 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3ixj n GLY 388 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ixj s PHE 389 N -2.88 0.62 -0.41 1.61 0.08 -0.69 -2.65 117.98 113.67 3ixj s PHE 389 Ca 0.14 -0.58 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 3ixj s PHE 389 Cb 0.15 -0.38 0.02 0.00 -0.57 0.00 0.00 43.02 42.23 3ixj s PHE 389 CO 0.39 -0.12 0.69 -0.47 -0.10 0.00 0.00 175.22 175.60 3ixj s TYR 390 N -1.79 3.08 -0.25 0.36 5.04 0.19 -4.33 117.35 119.64 3ixj s TYR 390 Ca -0.07 0.20 -0.07 0.00 -2.44 0.00 0.00 57.07 54.68 3ixj s TYR 390 Cb -0.07 -3.36 -0.02 0.00 0.35 0.00 0.00 41.96 38.86 3ixj s TYR 390 CO -0.01 -0.80 0.07 0.08 -1.34 0.00 0.00 175.55 173.55 3ixj s VAL 391 N 2.92 4.25 -0.30 3.14 1.01 -0.50 -2.04 120.40 128.88 3ixj s VAL 391 Ca 0.26 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3ixj s VAL 391 Cb -0.14 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3ixj s VAL 391 CO 0.18 0.31 0.18 -0.69 0.00 0.00 0.00 175.10 175.09 3ixj s VAL 392 N 1.60 5.00 -1.17 2.92 1.01 0.51 -0.51 120.40 129.76 3ixj s VAL 392 Ca 0.06 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3ixj s VAL 392 Cb -0.15 -3.47 0.20 0.00 0.00 0.00 0.00 36.38 32.96 3ixj s VAL 392 CO 0.03 0.14 1.33 -0.36 0.00 0.00 0.00 175.10 176.24 3ixj s PHE 393 N 1.69 3.73 -1.11 5.22 0.40 0.48 -0.25 117.98 128.15 3ixj s PHE 393 Ca 0.06 -2.29 -0.20 0.00 -0.60 0.00 0.00 56.93 53.90 3ixj s PHE 393 Cb -0.17 -4.17 0.07 0.00 0.51 0.00 0.00 43.02 39.27 3ixj s PHE 393 CO 0.09 -1.26 1.50 0.34 0.70 0.00 0.00 175.22 176.59 3ixj s ASP 394 N 2.38 6.66 0.24 1.36 -1.08 -0.39 -2.73 116.67 123.12 3ixj s ASP 394 Ca 0.39 -1.95 0.00 0.00 -0.52 0.00 0.00 52.55 50.47 3ixj s ASP 394 Cb -0.05 -2.54 0.27 0.00 -1.46 0.00 0.00 42.92 39.14 3ixj s ASP 394 CO -0.03 -1.29 1.63 0.03 0.52 0.00 0.00 175.17 176.03 3ixj h ARG 395 N 8.79 0.52 -0.77 4.34 3.08 -1.76 -1.21 114.38 127.37 3ixj h ARG 395 Ca 0.28 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3ixj h ARG 395 Cb 0.96 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.97 3ixj h ARG 395 CO 1.39 0.81 0.49 0.00 -1.07 0.00 0.00 179.97 181.60 3ixj h ALA 396 N 1.16 1.43 -0.41 0.04 0.00 -1.67 -2.94 119.26 116.87 3ixj h ALA 396 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ixj h ALA 396 Cb 0.85 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ixj h ALA 396 CO 0.07 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.38 3ixj n ARG 397 N -4.41 2.93 -3.86 0.00 1.74 -1.18 -5.01 116.66 106.87 3ixj n ARG 397 Ca 0.08 -2.30 -0.29 0.00 -0.77 0.00 0.00 57.85 54.57 3ixj n ARG 397 Cb 0.04 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3ixj n ARG 397 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ixj n LYS 398 N 0.58 -2.37 -3.78 5.56 5.02 -0.56 -4.94 118.16 117.67 3ixj n LYS 398 Ca 0.16 0.40 -0.10 0.00 -2.02 0.00 0.00 58.31 56.75 3ixj n LYS 398 Cb 0.55 -4.26 -0.07 0.00 -0.02 0.00 0.00 35.03 31.23 3ixj n LYS 398 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3ixj s ARG 399 N -6.40 0.86 -0.14 1.97 1.70 -0.61 -1.33 118.95 115.00 3ixj s ARG 399 Ca 0.20 -0.73 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 3ixj s ARG 399 Cb -0.08 0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.68 3ixj s ARG 399 CO 0.88 -0.28 -0.15 0.42 -1.08 0.00 0.00 175.30 175.09 3ixj s ILE 400 N -3.27 1.60 0.00 4.99 1.01 0.87 -1.26 121.20 125.13 3ixj s ILE 400 Ca 0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.88 3ixj s ILE 400 Cb 0.02 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.96 3ixj s ILE 400 CO -0.08 0.46 0.34 -0.83 0.00 0.00 0.00 174.94 174.83 3ixj s GLY 401 N 1.27 2.35 -0.06 6.18 0.00 0.65 -0.71 107.32 116.99 3ixj s GLY 401 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 44.72 44.35 3ixj s GLY 401 CO -0.07 -0.13 -0.15 -1.36 0.00 0.00 0.00 173.10 171.39 3ixj s PHE 402 N -1.20 1.69 0.01 1.90 0.40 0.30 -0.36 117.98 120.72 3ixj s PHE 402 Ca 0.26 -0.60 -0.03 0.00 -0.60 0.00 0.00 56.93 55.95 3ixj s PHE 402 Cb -0.14 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.19 3ixj s PHE 402 CO 0.14 -0.26 0.06 0.00 0.70 0.00 0.00 175.22 175.85 3ixj s ALA 403 N 0.42 -0.11 0.04 5.36 0.00 -0.87 -0.43 121.76 126.18 3ixj s ALA 403 Ca -0.12 -0.29 -0.31 0.00 0.00 0.00 0.00 51.96 51.24 3ixj s ALA 403 Cb -0.15 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 3ixj s ALA 403 CO 0.04 -0.17 1.91 1.55 0.00 0.00 0.00 175.76 179.10 3ixj n VAL 404 N 1.71 0.61 -2.31 0.00 3.14 -1.25 0.53 118.33 120.75 3ixj n VAL 404 Ca -0.22 -0.11 -0.31 0.00 -2.96 0.00 0.00 64.34 60.74 3ixj n VAL 404 Cb 0.56 -2.17 -0.02 0.00 -1.06 0.00 0.00 33.84 31.15 3ixj n VAL 404 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3ixj s SER 405 N 3.82 6.48 0.61 6.55 1.04 -1.08 -1.37 113.70 129.75 3ixj s SER 405 Ca 0.87 1.44 0.36 0.00 0.48 0.00 0.00 55.95 59.11 3ixj s SER 405 Cb -0.50 -2.46 2.03 0.00 0.10 0.00 0.00 66.02 65.19 3ixj s SER 405 CO 0.42 -0.65 2.27 0.00 0.98 0.00 0.00 173.24 176.27 3ixj h ALA 406 N 0.57 1.24 -0.90 5.32 0.00 -1.41 -2.62 119.26 121.46 3ixj h ALA 406 Ca -0.46 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 3ixj h ALA 406 Cb 1.19 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.63 3ixj h ALA 406 CO 0.62 0.02 0.22 0.00 0.00 0.00 0.00 179.25 180.11 3ixj s HIS 408 N -3.73 2.84 0.34 0.00 -0.00 -0.99 -4.69 115.29 109.06 3ixj s HIS 408 Ca 0.59 1.56 -0.27 0.00 -0.00 0.00 0.00 55.06 56.95 3ixj s HIS 408 Cb 0.47 -3.21 -0.09 0.00 -0.00 0.00 0.00 32.58 29.75 3ixj s HIS 408 CO 0.01 -1.25 1.10 0.08 -0.00 0.00 0.00 174.74 174.68 3ixj s VAL 409 N -1.82 3.49 -0.24 -5.38 1.01 -1.26 -5.02 120.40 111.18 3ixj s VAL 409 Ca 0.69 1.32 -0.09 0.00 0.00 0.00 0.00 61.98 63.91 3ixj s VAL 409 Cb -0.21 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3ixj s VAL 409 CO 0.25 0.18 0.12 -1.00 0.00 0.00 0.00 175.10 174.65 3ixj s HIS 410 N -1.38 3.21 0.19 5.22 3.76 -1.26 -4.72 115.29 120.31 3ixj s HIS 410 Ca 0.51 -0.02 0.06 0.00 -0.15 0.00 0.00 55.06 55.46 3ixj s HIS 410 Cb -0.28 -2.24 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 3ixj s HIS 410 CO 0.36 -0.09 0.14 0.34 -0.85 0.00 0.00 174.74 174.64 3ixj s ASP 411 N 1.21 5.45 0.16 1.40 -1.08 -1.25 -5.06 116.67 117.51 3ixj s ASP 411 Ca 0.06 -0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 51.84 3ixj s ASP 411 Cb -0.14 -1.39 0.01 0.00 -1.46 0.00 0.00 42.92 39.93 3ixj s ASP 411 CO 0.05 0.04 1.43 1.05 0.52 0.00 0.00 175.17 178.26 3ixj h GLU 412 N 2.18 0.63 0.00 4.34 4.11 -2.03 -3.37 114.58 120.44 3ixj h GLU 412 Ca -0.48 -0.45 0.00 0.00 0.07 0.00 0.00 59.36 58.50 3ixj h GLU 412 Cb 1.21 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3ixj h GLU 412 CO 0.62 1.07 0.00 1.97 0.07 0.00 0.00 179.01 182.74 3ixj n PHE 413 N -3.93 0.00 -4.26 2.06 -1.74 -1.26 -5.05 117.46 103.27 3ixj n PHE 413 Ca -0.05 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.67 3ixj n PHE 413 Cb 0.67 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.56 3ixj n PHE 413 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3ixj s ARG 414 N -0.25 1.09 -0.00 3.97 0.52 -1.26 -5.16 118.95 117.85 3ixj s ARG 414 Ca 0.00 -1.33 0.02 0.00 -0.52 0.00 0.00 55.73 53.90 3ixj s ARG 414 Cb 0.00 -0.93 -0.01 0.00 0.52 0.00 0.00 34.95 34.54 3ixj s ARG 414 CO 0.00 0.17 -0.05 0.99 0.02 0.00 0.00 175.30 176.43 3ixj s THR 415 N -2.39 0.39 0.19 0.02 2.01 -1.26 -3.85 115.64 110.74 3ixj s THR 415 Ca 0.12 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.54 3ixj s THR 415 Cb -0.03 -0.34 -0.10 0.00 0.01 0.00 0.00 72.50 72.03 3ixj s THR 415 CO 0.03 0.07 1.51 0.00 -0.69 0.00 0.00 174.62 175.54 3ixj s ALA 416 N -0.21 3.71 0.03 7.40 0.00 -1.26 -4.92 121.76 126.51 3ixj s ALA 416 Ca 0.01 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.32 3ixj s ALA 416 Cb -0.02 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3ixj s ALA 416 CO -0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 175.76 174.95 3ixj s ALA 417 N 0.74 0.34 -0.27 0.00 0.00 -1.15 -4.93 121.76 116.49 3ixj s ALA 417 Ca 0.66 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.04 3ixj s ALA 417 Cb -0.43 0.07 0.05 0.00 0.00 0.00 0.00 23.12 22.82 3ixj s ALA 417 CO 0.35 -0.06 -0.08 0.08 0.00 0.00 0.00 175.76 176.05 3ixj s VAL 418 N -1.21 2.41 0.04 0.00 1.01 -1.26 -0.64 120.40 120.75 3ixj s VAL 418 Ca -0.11 -1.53 0.05 0.00 0.00 0.00 0.00 61.98 60.40 3ixj s VAL 418 Cb -0.09 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 3ixj s VAL 418 CO -0.00 -0.03 -0.16 -1.61 0.00 0.00 0.00 175.10 173.30 3ixj s GLU 419 N 1.15 1.04 0.04 2.72 2.02 -0.41 -4.92 118.70 120.34 3ixj s GLU 419 Ca -0.07 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 53.88 3ixj s GLU 419 Cb -0.20 -1.07 0.08 0.00 0.10 0.00 0.00 34.13 33.05 3ixj s GLU 419 CO -0.04 0.27 1.12 0.41 0.02 0.00 0.00 175.26 177.03 3ixj n GLY 420 N 1.90 0.37 3.87 -1.39 0.00 -1.26 -0.88 105.19 107.80 3ixj n GLY 420 Ca -0.18 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 3ixj n GLY 420 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ixj s PRO 421 N -2.02 3.54 0.16 1.61 0.04 -1.26 -5.10 135.00 131.97 3ixj s PRO 421 Ca 0.26 0.67 0.09 0.00 0.04 0.00 0.00 61.00 62.07 3ixj s PRO 421 Cb -0.01 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 3ixj s PRO 421 CO 0.01 -0.57 -0.21 -0.06 0.04 0.00 0.00 177.00 176.21 3ixj s PHE 422 N -3.15 1.99 0.04 0.56 0.40 0.62 -4.97 117.98 113.47 3ixj s PHE 422 Ca 0.55 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 56.25 3ixj s PHE 422 Cb -0.11 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.35 3ixj s PHE 422 CO 0.53 0.37 0.60 0.08 0.70 0.00 0.00 175.22 177.49 3ixj s VAL 423 N -1.75 4.79 -0.23 -0.44 1.01 -1.26 -0.92 120.40 121.61 3ixj s VAL 423 Ca 0.16 1.27 -0.03 0.00 0.00 0.00 0.00 61.98 63.37 3ixj s VAL 423 Cb -0.07 -3.93 0.12 0.00 0.00 0.00 0.00 36.38 32.49 3ixj s VAL 423 CO 0.07 0.49 0.31 -0.89 0.00 0.00 0.00 175.10 175.08 3ixj s THR 424 N -0.67 -0.48 0.50 3.92 2.01 0.16 -4.84 115.64 116.25 3ixj s THR 424 Ca 0.31 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.02 3ixj s THR 424 Cb -0.19 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 3ixj s THR 424 CO 0.19 -0.16 1.03 -0.76 -0.69 0.00 0.00 174.62 174.22 3ixj s LEU 425 N 2.45 3.79 -1.43 4.42 1.43 -1.26 -4.16 118.68 123.91 3ixj s LEU 425 Ca 0.10 1.85 -0.10 0.00 -1.03 0.00 0.00 54.13 54.96 3ixj s LEU 425 Cb -0.16 -4.55 0.05 0.00 0.03 0.00 0.00 46.19 41.56 3ixj s LEU 425 CO -0.14 -0.77 1.01 0.47 0.23 0.00 0.00 176.35 177.14 3ixj n ASP 426 N -1.13 -4.59 0.27 2.29 8.00 -1.26 -4.88 116.55 115.25 3ixj n ASP 426 Ca 0.09 -0.71 0.11 0.00 0.71 0.00 0.00 54.79 54.99 3ixj n ASP 426 Cb 0.53 -4.32 0.73 0.00 -0.02 0.00 0.00 41.12 38.04 3ixj n ASP 426 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 3ixj h MET 427 N -2.23 0.00 0.00 -1.24 2.86 -1.99 -2.25 114.93 110.08 3ixj h MET 427 Ca -0.58 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.06 3ixj h MET 427 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 3ixj h MET 427 CO 0.61 0.07 0.00 1.49 1.06 0.00 0.00 176.91 180.14 3ixj h GLU 428 N 0.00 0.00 0.00 1.72 4.57 -1.95 -2.12 114.58 116.81 3ixj h GLU 428 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ixj h GLU 428 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3ixj h GLU 428 CO 0.01 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.59 3ixj n ASP 429 N -2.40 0.23 0.14 1.04 8.00 -0.84 -3.48 116.55 119.23 3ixj n ASP 429 Ca 0.04 0.54 0.07 0.00 0.71 0.00 0.00 54.79 56.14 3ixj n ASP 429 Cb 0.36 -0.59 0.04 0.00 -0.02 0.00 0.00 41.12 40.91 3ixj n ASP 429 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ixj s GLY 431 N -4.42 2.64 0.08 0.00 0.00 -1.23 -3.81 107.32 100.58 3ixj s GLY 431 Ca 0.03 0.85 -0.25 0.00 0.00 0.00 0.00 44.72 45.35 3ixj s GLY 431 CO 0.74 1.85 0.77 -0.47 0.00 0.00 0.00 173.10 176.00 3ixj s TYR 432 N 0.35 3.78 0.00 1.90 5.04 -1.26 -4.98 117.35 122.18 3ixj s TYR 432 Ca 0.54 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 3ixj s TYR 432 Cb -0.30 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.20 3ixj s TYR 432 CO 0.33 0.33 0.43 0.09 -1.34 0.00 0.00 175.55 175.40