#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ekj s GLU 61 N 0.00 3.33 -0.22 3.23 0.41 -1.01 -4.91 118.70 119.53 3ekj s GLU 61 Ca 0.00 -0.28 -0.03 0.00 -0.41 0.00 0.00 54.97 54.25 3ekj s GLU 61 Cb 0.00 -3.06 0.00 0.00 -1.78 0.00 0.00 34.13 29.29 3ekj s GLU 61 CO 0.00 0.71 -0.06 -0.80 -0.49 0.00 0.00 175.26 174.63 3ekj s ASN 62 N -1.44 4.19 -0.28 -0.19 0.01 -1.26 -1.45 114.94 114.52 3ekj s ASN 62 Ca 0.20 -0.51 -0.17 0.00 -0.71 0.00 0.00 52.86 51.67 3ekj s ASN 62 Cb -0.12 -1.70 -0.02 0.00 0.41 0.00 0.00 41.25 39.81 3ekj s ASN 62 CO 0.10 -0.04 0.47 -0.69 -1.51 0.00 0.00 177.10 175.44 3ekj s VAL 63 N 1.43 5.09 -0.14 1.60 1.01 -0.36 -4.61 120.40 124.42 3ekj s VAL 63 Ca 0.05 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 62.51 3ekj s VAL 63 Cb -0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 3ekj s VAL 63 CO -0.04 0.03 0.46 -0.31 0.00 0.00 0.00 175.10 175.23 3ekj s TYR 64 N 2.26 3.48 -0.01 5.22 2.02 -1.00 -0.19 117.35 129.14 3ekj s TYR 64 Ca 0.19 0.82 0.08 0.00 -0.37 0.00 0.00 57.07 57.79 3ekj s TYR 64 Cb -0.16 -2.54 -0.02 0.00 -0.40 0.00 0.00 41.96 38.84 3ekj s TYR 64 CO 0.10 0.13 -0.25 0.42 -1.57 0.00 0.00 175.55 174.39 3ekj s ILE 65 N 0.77 1.98 0.08 2.71 1.01 0.01 -2.22 121.20 125.54 3ekj s ILE 65 Ca 0.24 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3ekj s ILE 65 Cb -0.15 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 3ekj s ILE 65 CO 0.09 0.51 -0.13 -0.04 0.00 0.00 0.00 174.94 175.38 3ekj s MET 66 N -0.72 0.81 0.75 2.79 -1.94 0.07 -2.90 119.30 118.16 3ekj s MET 66 Ca 0.10 -1.00 -0.12 0.00 -1.71 0.00 0.00 55.69 52.95 3ekj s MET 66 Cb -0.10 -0.71 0.05 0.00 2.01 0.00 0.00 34.83 36.08 3ekj s MET 66 CO -0.00 0.14 1.11 0.00 -0.01 0.00 0.00 175.02 176.27 3ekj s ALA 67 N -1.62 2.21 -0.45 3.03 0.00 -1.25 -0.54 121.76 123.14 3ekj s ALA 67 Ca -0.00 0.45 0.02 0.00 0.00 0.00 0.00 51.96 52.43 3ekj s ALA 67 Cb -0.08 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.85 3ekj s ALA 67 CO 0.02 -1.75 0.26 0.34 0.00 0.00 0.00 175.76 174.63 3ekj s ASP 68 N -2.93 3.48 0.29 0.00 -1.08 0.20 -4.61 116.67 112.02 3ekj s ASP 68 Ca 0.65 -2.70 0.03 0.00 -0.52 0.00 0.00 52.55 50.01 3ekj s ASP 68 Cb -0.20 -0.96 0.44 0.00 -1.46 0.00 0.00 42.92 40.73 3ekj s ASP 68 CO 0.51 -0.25 1.73 0.11 0.52 0.00 0.00 175.17 177.78 3ekj h LYS 69 N 6.58 0.44 -0.05 4.34 1.57 -1.96 -0.31 116.57 127.17 3ekj h LYS 69 Ca 0.03 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3ekj h LYS 69 Cb 0.92 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 3ekj h LYS 69 CO 0.47 0.67 -0.03 0.37 -0.57 0.00 0.00 179.45 180.36 3ekj h GLN 70 N 0.39 0.11 0.00 3.15 4.15 -1.95 -3.00 115.11 117.95 3ekj h GLN 70 Ca 0.06 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3ekj h GLN 70 Cb 0.67 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 3ekj h GLN 70 CO 0.05 0.52 0.00 1.63 -1.93 0.00 0.00 178.83 179.10 3ekj n LYS 71 N -4.79 0.76 -3.65 1.69 4.76 -1.10 -4.92 118.16 110.92 3ekj n LYS 71 Ca -0.07 0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.15 3ekj n LYS 71 Cb 0.26 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.00 3ekj n LYS 71 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ekj n ASN 72 N -1.04 -3.03 0.00 4.39 5.15 -0.18 -4.73 115.26 115.82 3ekj n ASN 72 Ca 0.19 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 3ekj n ASN 72 Cb 0.11 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 3ekj n ASN 72 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ekj n GLY 73 N -1.55 3.41 3.16 8.20 0.00 -0.87 -4.33 105.19 113.20 3ekj n GLY 73 Ca -0.18 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3ekj n GLY 73 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ekj s ILE 74 N -1.02 0.09 0.25 -0.61 -5.25 -1.07 0.63 121.20 114.21 3ekj s ILE 74 Ca 0.00 -1.93 -0.06 0.00 -0.99 0.00 0.00 60.65 57.68 3ekj s ILE 74 Cb 0.00 -2.12 -0.02 0.00 2.95 0.00 0.00 42.46 43.28 3ekj s ILE 74 CO 0.00 -0.39 0.34 -1.59 -1.79 0.00 0.00 174.94 171.51 3ekj s LYS 75 N -4.07 1.49 0.22 0.37 -2.85 0.30 -0.73 119.74 114.48 3ekj s LYS 75 Ca 0.26 -1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 53.50 3ekj s LYS 75 Cb 0.07 0.39 0.04 0.00 -2.06 0.00 0.00 37.83 36.27 3ekj s LYS 75 CO 0.03 -0.58 0.71 0.00 0.10 0.00 0.00 175.35 175.62 3ekj s ALA 76 N -3.88 -1.39 -0.16 0.59 0.00 0.04 -0.75 121.76 116.20 3ekj s ALA 76 Ca 0.31 0.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.08 3ekj s ALA 76 Cb 0.02 0.83 0.05 0.00 0.00 0.00 0.00 23.12 24.02 3ekj s ALA 76 CO 0.13 -0.95 0.54 0.54 0.00 0.00 0.00 175.76 176.02 3ekj s ASN 77 N -2.86 -0.53 0.14 0.00 2.20 -0.94 -1.45 114.94 111.50 3ekj s ASN 77 Ca 0.08 0.91 -0.25 0.00 -0.94 0.00 0.00 52.86 52.66 3ekj s ASN 77 Cb -0.04 0.93 0.07 0.00 -2.00 0.00 0.00 41.25 40.21 3ekj s ASN 77 CO 0.00 -0.28 1.00 0.72 -2.94 0.00 0.00 177.10 175.60 3ekj s PHE 78 N -0.13 -0.11 -0.02 1.54 -0.12 -1.12 -2.36 117.98 115.66 3ekj s PHE 78 Ca -0.03 -0.18 0.05 0.00 -0.05 0.00 0.00 56.93 56.71 3ekj s PHE 78 Cb -0.03 0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 3ekj s PHE 78 CO 0.03 -0.77 -0.15 0.21 -0.05 0.00 0.00 175.22 174.48 3ekj s LYS 79 N -3.13 1.33 -0.14 1.99 2.20 -1.26 -0.74 119.74 119.98 3ekj s LYS 79 Ca 0.13 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 55.21 3ekj s LYS 79 Cb -0.01 -1.26 0.01 0.00 -1.51 0.00 0.00 37.83 35.07 3ekj s LYS 79 CO 0.02 0.31 -0.19 0.42 -0.36 0.00 0.00 175.35 175.54 3ekj s ILE 80 N -0.26 1.90 -0.45 5.43 -1.09 -0.73 -4.78 121.20 121.22 3ekj s ILE 80 Ca 0.04 -0.87 -0.20 0.00 -2.23 0.00 0.00 60.65 57.39 3ekj s ILE 80 Cb -0.07 -1.70 0.03 0.00 -1.58 0.00 0.00 42.46 39.13 3ekj s ILE 80 CO -0.00 0.52 0.62 -0.13 -1.23 0.00 0.00 174.94 174.71 3ekj s ARG 81 N 1.03 3.23 -0.21 2.79 0.52 -1.26 -2.29 118.95 122.76 3ekj s ARG 81 Ca -0.03 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 54.57 3ekj s ARG 81 Cb -0.15 -3.97 -0.05 0.00 0.52 0.00 0.00 34.95 31.31 3ekj s ARG 81 CO -0.05 -1.02 0.23 -1.01 0.02 0.00 0.00 175.30 173.47 3ekj s HIS 82 N 2.72 3.37 -0.01 -0.53 3.76 -0.09 -4.98 115.29 119.52 3ekj s HIS 82 Ca 0.20 0.40 -0.30 0.00 -0.15 0.00 0.00 55.06 55.21 3ekj s HIS 82 Cb -0.15 -2.32 -0.05 0.00 1.11 0.00 0.00 32.58 31.17 3ekj s HIS 82 CO 0.17 0.12 1.39 -0.80 -0.85 0.00 0.00 174.74 174.78 3ekj s ASN 83 N 0.82 6.86 0.47 1.40 0.01 -1.26 -0.19 114.94 123.04 3ekj s ASN 83 Ca 0.12 2.08 -0.16 0.00 -0.71 0.00 0.00 52.86 54.18 3ekj s ASN 83 Cb -0.13 -2.56 -0.08 0.00 0.41 0.00 0.00 41.25 38.89 3ekj s ASN 83 CO 0.04 -0.72 0.93 -0.63 -1.51 0.00 0.00 177.10 175.20 3ekj s ILE 84 N 2.51 4.56 0.00 0.60 1.01 -0.86 -0.62 121.20 128.40 3ekj s ILE 84 Ca 0.63 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3ekj s ILE 84 Cb -0.31 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.47 3ekj s ILE 84 CO 0.26 -0.56 0.19 1.21 0.00 0.00 0.00 174.94 176.03 3ekj n GLU 85 N -1.29 0.00 -3.01 2.79 4.07 0.23 -2.79 120.64 120.64 3ekj n GLU 85 Ca 0.06 0.19 -0.38 0.00 -0.06 0.00 0.00 57.16 56.97 3ekj n GLU 85 Cb 0.54 -0.59 -0.01 0.00 -0.06 0.00 0.00 31.44 31.32 3ekj n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 3ekj n ASP 86 N -0.42 5.90 0.00 4.31 8.00 -1.26 -4.83 116.55 128.24 3ekj n ASP 86 Ca 0.00 -3.51 0.00 0.00 0.71 0.00 0.00 54.79 51.99 3ekj n ASP 86 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3ekj n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ekj n GLY 87 N 0.77 2.36 0.00 0.44 0.00 -1.12 -5.16 105.19 102.49 3ekj n GLY 87 Ca 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3ekj n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ekj n GLY 88 N 2.05 0.67 2.82 -0.02 0.00 -1.26 -4.59 105.19 104.86 3ekj n GLY 88 Ca 0.00 -2.32 -0.14 0.00 0.00 0.00 0.00 46.02 43.55 3ekj n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ekj s VAL 89 N -0.99 -0.46 0.15 1.61 1.01 -1.26 -2.04 120.40 118.43 3ekj s VAL 89 Ca 0.00 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3ekj s VAL 89 Cb 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 36.38 35.47 3ekj s VAL 89 CO 0.00 -0.26 1.24 -1.58 0.00 0.00 0.00 175.10 174.50 3ekj s GLN 90 N 2.42 4.44 0.21 2.72 2.00 0.73 -4.84 119.66 127.35 3ekj s GLN 90 Ca 0.10 1.90 0.04 0.00 -2.00 0.00 0.00 55.36 55.40 3ekj s GLN 90 Cb -0.15 -3.26 -0.03 0.00 0.80 0.00 0.00 33.01 30.37 3ekj s GLN 90 CO -0.21 -0.19 0.34 -0.51 -0.50 0.00 0.00 175.29 174.22 3ekj s LEU 91 N 0.23 4.33 -0.12 3.68 1.43 -1.26 -0.91 118.68 126.04 3ekj s LEU 91 Ca 0.56 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3ekj s LEU 91 Cb -0.33 -2.88 0.06 0.00 0.03 0.00 0.00 46.19 43.08 3ekj s LEU 91 CO 0.34 -0.03 0.22 0.00 0.23 0.00 0.00 176.35 177.12 3ekj s ALA 92 N -1.91 -0.39 -0.30 4.21 0.00 -0.97 -2.57 121.76 119.83 3ekj s ALA 92 Ca 0.34 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 3ekj s ALA 92 Cb -0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 3ekj s ALA 92 CO 0.29 -0.69 0.20 0.71 0.00 0.00 0.00 175.76 176.27 3ekj s TYR 93 N 2.37 3.22 -0.10 0.00 1.51 0.02 -1.77 117.35 122.59 3ekj s TYR 93 Ca 0.03 -0.08 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 3ekj s TYR 93 Cb -0.12 -2.41 -0.04 0.00 -0.11 0.00 0.00 41.96 39.27 3ekj s TYR 93 CO -0.08 -0.27 0.18 -1.01 -1.11 0.00 0.00 175.55 173.26 3ekj s HIS 94 N 1.73 3.62 -0.03 2.71 3.76 0.08 -1.73 115.29 125.43 3ekj s HIS 94 Ca 0.06 0.59 0.01 0.00 -0.15 0.00 0.00 55.06 55.57 3ekj s HIS 94 Cb -0.17 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.56 3ekj s HIS 94 CO 0.10 0.73 -0.04 0.71 -0.85 0.00 0.00 174.74 175.39 3ekj s TYR 95 N -1.04 0.64 0.01 1.40 2.02 -0.91 -2.78 117.35 116.69 3ekj s TYR 95 Ca 0.16 -0.15 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 3ekj s TYR 95 Cb -0.13 -0.56 -0.01 0.00 -0.40 0.00 0.00 41.96 40.86 3ekj s TYR 95 CO 0.06 -0.15 -0.02 -1.14 -1.57 0.00 0.00 175.55 172.73 3ekj s GLN 96 N 0.74 0.19 -0.09 -0.62 0.74 -0.53 -2.01 119.66 118.09 3ekj s GLN 96 Ca -0.09 -0.37 -0.05 0.00 0.05 0.00 0.00 55.36 54.90 3ekj s GLN 96 Cb -0.12 0.07 0.04 0.00 1.10 0.00 0.00 33.01 34.10 3ekj s GLN 96 CO -0.00 -0.03 0.21 -1.14 -0.55 0.00 0.00 175.29 173.78 3ekj s GLN 97 N -0.90 0.18 0.01 1.67 2.00 -0.55 -0.78 119.66 121.28 3ekj s GLN 97 Ca -0.10 0.46 0.05 0.00 -2.00 0.00 0.00 55.36 53.78 3ekj s GLN 97 Cb -0.06 -0.11 -0.02 0.00 0.80 0.00 0.00 33.01 33.62 3ekj s GLN 97 CO -0.01 -0.15 -0.17 -0.80 -0.50 0.00 0.00 175.29 173.67 3ekj s ASN 98 N 1.12 1.95 -0.00 6.67 -0.87 0.09 -0.96 114.94 122.95 3ekj s ASN 98 Ca -0.08 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.85 3ekj s ASN 98 Cb -0.10 -0.19 -0.00 0.00 -0.02 0.00 0.00 41.25 40.94 3ekj s ASN 98 CO -0.07 0.16 -0.01 -0.89 -2.57 0.00 0.00 177.10 173.72 3ekj s THR 99 N -0.53 0.09 0.39 1.60 2.01 -0.69 -2.59 115.64 115.92 3ekj s THR 99 Ca 0.06 -0.07 -0.27 0.00 0.31 0.00 0.00 61.69 61.71 3ekj s THR 99 Cb -0.07 -0.09 -0.10 0.00 0.01 0.00 0.00 72.50 72.25 3ekj s THR 99 CO 0.00 0.01 1.46 -2.84 -0.69 0.00 0.00 174.62 172.56 3ekj s PRO 100 N -0.07 4.02 0.13 4.92 0.02 -1.26 -0.01 135.00 142.75 3ekj s PRO 100 Ca -0.00 2.51 -0.09 0.00 0.02 0.00 0.00 61.00 63.43 3ekj s PRO 100 Cb -0.01 -2.90 -0.07 0.00 0.02 0.00 0.00 34.50 31.55 3ekj s PRO 100 CO -0.00 -0.58 1.37 0.82 -0.33 0.00 0.00 177.00 178.28 3ekj h ILE 101 N 2.81 1.30 -2.86 2.83 2.04 -1.55 -3.44 117.51 118.64 3ekj h ILE 101 Ca -0.51 -1.95 -0.45 0.00 1.00 0.00 0.00 64.86 62.95 3ekj h ILE 101 Cb 1.24 1.92 0.08 0.00 -0.74 0.00 0.00 36.82 39.32 3ekj h ILE 101 CO 0.63 0.61 0.12 -0.83 0.00 0.00 0.00 178.15 178.69 3ekj s GLY 102 N -4.13 1.76 -0.00 5.37 0.00 -1.26 -5.01 107.32 104.05 3ekj s GLY 102 Ca -0.09 -1.33 0.19 0.00 0.00 0.00 0.00 44.72 43.48 3ekj s GLY 102 CO 0.88 -0.89 0.60 1.22 0.00 0.00 0.00 173.10 174.91 3ekj n ASP 103 N -2.77 0.47 -4.70 1.64 10.43 -1.26 -5.01 116.55 115.35 3ekj n ASP 103 Ca 0.11 0.20 -0.30 0.00 2.57 0.00 0.00 54.79 57.37 3ekj n ASP 103 Cb 0.60 0.80 0.14 0.00 1.84 0.00 0.00 41.12 44.50 3ekj n ASP 103 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ekj s GLY 104 N -4.84 1.66 0.59 0.44 0.00 -1.26 -4.97 107.32 98.93 3ekj s GLY 104 Ca -0.05 0.26 -0.15 0.00 0.00 0.00 0.00 44.72 44.78 3ekj s GLY 104 CO 0.84 0.70 1.04 2.56 0.00 0.00 0.00 173.10 178.23 3ekj s PRO 105 N -4.79 3.44 -0.01 2.90 0.04 -1.26 -5.04 135.00 130.28 3ekj s PRO 105 Ca 0.64 1.08 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 3ekj s PRO 105 Cb -0.20 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3ekj s PRO 105 CO 0.58 -0.70 0.05 0.14 0.04 0.00 0.00 177.00 177.10 3ekj s VAL 106 N -2.63 0.04 -0.29 -0.36 -7.23 -1.26 -4.88 120.40 103.79 3ekj s VAL 106 Ca 0.61 -0.30 -0.29 0.00 -1.81 0.00 0.00 61.98 60.19 3ekj s VAL 106 Cb -0.14 -0.17 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 3ekj s VAL 106 CO 0.39 -0.16 1.64 -0.76 -0.31 0.00 0.00 175.10 175.90 3ekj s LEU 107 N -0.49 3.72 0.02 1.32 1.43 -1.26 -4.99 118.68 118.42 3ekj s LEU 107 Ca -0.06 1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 54.21 3ekj s LEU 107 Cb -0.04 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.60 3ekj s LEU 107 CO 0.00 -1.43 0.66 -0.76 0.23 0.00 0.00 176.35 175.05 3ekj s LEU 108 N 5.77 4.44 0.61 1.79 1.43 -1.26 -3.52 118.68 127.94 3ekj s LEU 108 Ca 0.72 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 3ekj s LEU 108 Cb -0.22 -3.05 0.07 0.00 0.03 0.00 0.00 46.19 43.02 3ekj s LEU 108 CO 0.31 0.08 0.86 -2.16 0.23 0.00 0.00 176.35 175.66 3ekj s PRO 109 N -0.18 2.22 0.46 1.29 0.04 -1.26 -4.85 135.00 132.71 3ekj s PRO 109 Ca 0.34 -0.95 -0.11 0.00 0.04 0.00 0.00 61.00 60.32 3ekj s PRO 109 Cb -0.19 -2.44 -0.06 0.00 0.04 0.00 0.00 34.50 31.85 3ekj s PRO 109 CO 0.20 -0.99 0.84 -0.51 0.04 0.00 0.00 177.00 176.58 3ekj s ASP 110 N -4.55 6.47 -0.49 6.66 1.11 -1.26 -3.92 116.67 120.69 3ekj s ASP 110 Ca 0.61 1.22 -0.43 0.00 0.18 0.00 0.00 52.55 54.12 3ekj s ASP 110 Cb -0.08 -2.36 -0.19 0.00 1.07 0.00 0.00 42.92 41.36 3ekj s ASP 110 CO 0.41 -0.51 2.05 0.59 1.18 0.00 0.00 175.17 178.89 3ekj n ASN 111 N -1.65 0.78 -2.85 0.27 4.13 -1.26 -4.81 115.26 109.86 3ekj n ASN 111 Ca 0.03 0.71 -0.14 0.00 1.68 0.00 0.00 54.58 56.86 3ekj n ASN 111 Cb 0.54 -0.88 -0.04 0.00 -1.54 0.00 0.00 39.78 37.86 3ekj n ASN 111 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ekj n HIS 112 N 7.06 -1.14 -4.04 3.10 1.44 -1.14 -4.59 115.22 115.90 3ekj n HIS 112 Ca 0.52 -2.23 -0.09 0.00 -2.01 0.00 0.00 57.72 53.90 3ekj n HIS 112 Cb -0.04 0.42 -0.09 0.00 0.12 0.00 0.00 29.99 30.40 3ekj n HIS 112 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3ekj s TYR 113 N -3.15 0.58 -0.10 -1.40 -0.85 -0.82 -0.81 117.35 110.80 3ekj s TYR 113 Ca 0.29 -0.97 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 3ekj s TYR 113 Cb -0.00 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 42.05 3ekj s TYR 113 CO 0.21 -0.58 -0.11 -0.51 -1.52 0.00 0.00 175.55 173.04 3ekj s LEU 114 N -2.98 2.88 -0.23 -3.49 1.43 0.74 -0.37 118.68 116.66 3ekj s LEU 114 Ca 0.18 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3ekj s LEU 114 Cb 0.06 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 3ekj s LEU 114 CO -0.02 0.26 0.06 -0.55 0.23 0.00 0.00 176.35 176.33 3ekj s SER 115 N -0.18 5.17 -0.07 2.29 0.15 0.13 -1.22 113.70 119.97 3ekj s SER 115 Ca 0.01 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.54 3ekj s SER 115 Cb -0.13 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 3ekj s SER 115 CO 0.03 0.01 -0.19 -0.89 1.20 0.00 0.00 173.24 173.40 3ekj s THR 116 N 1.33 1.65 -0.11 6.45 2.01 -0.52 -1.35 115.64 125.10 3ekj s THR 116 Ca 0.05 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3ekj s THR 116 Cb -0.15 -1.43 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3ekj s THR 116 CO 0.03 0.47 -0.19 -1.10 -0.69 0.00 0.00 174.62 173.14 3ekj s GLN 117 N 0.23 2.55 0.27 4.92 -0.21 -0.16 -2.42 119.66 124.85 3ekj s GLN 117 Ca -0.11 -0.69 0.10 0.00 0.02 0.00 0.00 55.36 54.68 3ekj s GLN 117 Cb -0.15 -2.05 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 3ekj s GLN 117 CO 0.05 0.03 -0.07 -1.12 -2.12 0.00 0.00 175.29 172.06 3ekj s SER 118 N 0.70 4.23 -0.26 5.90 0.01 -1.26 -1.20 113.70 121.82 3ekj s SER 118 Ca -0.12 -0.77 -0.08 0.00 1.31 0.00 0.00 55.95 56.29 3ekj s SER 118 Cb -0.16 -0.66 0.12 0.00 0.21 0.00 0.00 66.02 65.52 3ekj s SER 118 CO 0.02 0.02 0.55 -0.75 0.41 0.00 0.00 173.24 173.49 3ekj s LYS 119 N -3.61 0.47 -0.17 12.44 2.36 0.56 -4.94 119.74 126.85 3ekj s LYS 119 Ca 0.31 1.24 -0.00 0.00 -2.55 0.00 0.00 55.97 54.97 3ekj s LYS 119 Cb -0.06 0.61 0.00 0.00 -1.05 0.00 0.00 37.83 37.33 3ekj s LYS 119 CO 0.18 -0.26 -0.15 -0.51 1.55 0.00 0.00 175.35 176.16 3ekj s LEU 120 N 2.78 2.43 0.35 5.43 1.02 -1.26 0.06 118.68 129.49 3ekj s LEU 120 Ca -0.02 -0.51 0.04 0.00 0.02 0.00 0.00 54.13 53.66 3ekj s LEU 120 Cb -0.12 -1.56 -0.04 0.00 0.02 0.00 0.00 46.19 44.49 3ekj s LEU 120 CO -0.17 0.05 0.13 -0.94 0.02 0.00 0.00 176.35 175.44 3ekj s SER 121 N 1.02 2.22 -0.03 2.29 1.04 0.13 -4.70 113.70 115.68 3ekj s SER 121 Ca -0.01 -1.58 0.07 0.00 0.48 0.00 0.00 55.95 54.91 3ekj s SER 121 Cb -0.15 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 3ekj s SER 121 CO -0.04 -0.86 -0.25 -0.54 0.98 0.00 0.00 173.24 172.54 3ekj s LYS 122 N -3.78 2.15 -0.32 4.02 -0.14 -1.26 -0.76 119.74 119.65 3ekj s LYS 122 Ca 0.31 -0.88 -0.27 0.00 -1.36 0.00 0.00 55.97 53.77 3ekj s LYS 122 Cb 0.05 -1.99 0.01 0.00 -1.68 0.00 0.00 37.83 34.21 3ekj s LYS 122 CO 0.16 0.48 0.95 0.34 -0.76 0.00 0.00 175.35 176.53 3ekj s ASP 123 N -0.45 6.82 0.00 2.83 2.15 -1.26 -4.95 116.67 121.81 3ekj s ASP 123 Ca 0.06 0.88 0.10 0.00 0.43 0.00 0.00 52.55 54.01 3ekj s ASP 123 Cb -0.11 -2.49 0.46 0.00 -0.30 0.00 0.00 42.92 40.49 3ekj s ASP 123 CO 0.00 -0.77 1.31 -0.81 -0.17 0.00 0.00 175.17 174.73 3ekj n PRO 124 N 6.60 1.23 0.00 4.34 -0.05 -1.26 -1.45 135.00 144.41 3ekj n PRO 124 Ca 0.08 -0.35 0.12 0.00 -0.05 0.00 0.00 63.50 63.30 3ekj n PRO 124 Cb 0.47 -1.18 0.10 0.00 -0.05 0.00 0.00 33.50 32.84 3ekj n PRO 124 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 3ekj n ASN 125 N -0.31 2.94 -4.53 3.54 3.02 -1.26 -4.91 115.26 113.76 3ekj n ASN 125 Ca 0.08 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 3ekj n ASN 125 Cb 0.11 0.01 -0.09 0.00 -0.61 0.00 0.00 39.78 39.20 3ekj n ASN 125 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3ekj s GLU 126 N -1.97 3.44 0.39 3.52 2.56 -0.53 -4.93 118.70 121.18 3ekj s GLU 126 Ca 0.27 -0.43 0.23 0.00 0.00 0.00 0.00 54.97 55.05 3ekj s GLU 126 Cb 0.20 -3.86 0.30 0.00 2.00 0.00 0.00 34.13 32.77 3ekj s GLU 126 CO 0.30 -0.68 1.51 0.87 -0.56 0.00 0.00 175.26 176.71 3ekj h LYS 127 N 8.56 0.00 -7.43 4.30 1.57 -1.91 -3.46 116.57 118.20 3ekj h LYS 127 Ca -0.28 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.05 3ekj h LYS 127 Cb 1.13 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.58 3ekj h LYS 127 CO 0.76 0.00 0.25 1.03 -0.57 0.00 0.00 179.45 180.91 3ekj s ARG 128 N -3.23 0.73 -0.06 3.15 0.52 -1.26 -5.01 118.95 113.79 3ekj s ARG 128 Ca 0.06 0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 3ekj s ARG 128 Cb 0.06 -1.79 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 3ekj s ARG 128 CO 0.69 -2.49 0.97 0.34 0.02 0.00 0.00 175.30 174.83 3ekj s ASP 129 N -3.77 7.27 0.21 0.23 2.15 -1.26 -5.01 116.67 116.49 3ekj s ASP 129 Ca 0.65 1.55 -0.22 0.00 0.43 0.00 0.00 52.55 54.95 3ekj s ASP 129 Cb -0.16 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 39.96 3ekj s ASP 129 CO 0.55 -0.34 0.67 -1.38 -0.17 0.00 0.00 175.17 174.50 3ekj s HIS 130 N 1.50 -0.38 -0.07 -5.34 -3.43 -1.26 -2.03 115.29 104.28 3ekj s HIS 130 Ca 0.49 0.07 -0.00 0.00 -0.80 0.00 0.00 55.06 54.81 3ekj s HIS 130 Cb -0.19 0.62 0.02 0.00 -1.43 0.00 0.00 32.58 31.60 3ekj s HIS 130 CO 0.22 -1.00 -0.03 1.41 -2.00 0.00 0.00 174.74 173.33 3ekj s MET 131 N -3.79 0.89 -0.17 -0.38 1.75 0.42 -4.92 119.30 113.11 3ekj s MET 131 Ca 0.06 -0.05 -0.13 0.00 -1.25 0.00 0.00 55.69 54.31 3ekj s MET 131 Cb -0.03 -1.05 -0.05 0.00 2.84 0.00 0.00 34.83 36.54 3ekj s MET 131 CO -0.04 -0.20 0.25 0.08 -0.65 0.00 0.00 175.02 174.46 3ekj s VAL 132 N 1.49 5.33 -0.06 10.11 1.01 0.06 0.40 120.40 138.74 3ekj s VAL 132 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3ekj s VAL 132 Cb -0.13 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3ekj s VAL 132 CO -0.03 0.41 -0.04 -0.22 0.00 0.00 0.00 175.10 175.22 3ekj s LEU 133 N 0.36 1.14 -0.04 3.92 2.96 -0.29 0.21 118.68 126.94 3ekj s LEU 133 Ca 0.15 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.97 3ekj s LEU 133 Cb -0.13 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 3ekj s LEU 133 CO 0.03 -0.09 -0.18 -0.22 -1.32 0.00 0.00 176.35 174.56 3ekj s LEU 134 N 1.24 2.51 -0.10 -0.68 2.96 0.11 -2.19 118.68 122.52 3ekj s LEU 134 Ca -0.06 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.39 3ekj s LEU 134 Cb -0.14 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.11 3ekj s LEU 134 CO -0.02 0.34 0.43 -0.70 -1.32 0.00 0.00 176.35 175.08 3ekj s GLU 135 N -0.71 0.64 -0.05 1.98 2.12 -0.72 -0.33 118.70 121.63 3ekj s GLU 135 Ca 0.11 0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.74 3ekj s GLU 135 Cb -0.10 0.30 0.04 0.00 0.26 0.00 0.00 34.13 34.62 3ekj s GLU 135 CO 0.00 -0.14 0.10 -0.06 -0.54 0.00 0.00 175.26 174.62 3ekj s PHE 136 N -0.45 -0.06 -0.00 5.30 0.40 -0.34 -1.28 117.98 121.54 3ekj s PHE 136 Ca -0.06 0.36 0.04 0.00 -0.60 0.00 0.00 56.93 56.67 3ekj s PHE 136 Cb -0.03 -0.24 -0.01 0.00 0.51 0.00 0.00 43.02 43.24 3ekj s PHE 136 CO 0.03 -0.17 -0.13 0.08 0.70 0.00 0.00 175.22 175.73 3ekj s VAL 137 N 1.56 1.02 -0.04 -0.44 1.01 -0.90 -0.99 120.40 121.63 3ekj s VAL 137 Ca -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3ekj s VAL 137 Cb -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.42 3ekj s VAL 137 CO -0.04 0.23 -0.03 -0.89 0.00 0.00 0.00 175.10 174.36 3ekj s THR 138 N -0.40 0.43 0.44 3.92 2.01 -0.46 -2.58 115.64 119.00 3ekj s THR 138 Ca 0.04 -0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.74 3ekj s THR 138 Cb -0.05 -0.47 -0.08 0.00 0.01 0.00 0.00 72.50 71.91 3ekj s THR 138 CO -0.00 0.20 1.15 0.00 -0.69 0.00 0.00 174.62 175.27 3ekj s ALA 139 N 0.88 3.02 0.31 7.40 0.00 -0.40 -0.70 121.76 132.26 3ekj s ALA 139 Ca -0.11 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3ekj s ALA 139 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3ekj s ALA 139 CO -0.00 -0.57 0.56 0.00 0.00 0.00 0.00 175.76 175.75 3ekj n ALA 140 N -0.35 -1.07 0.00 0.00 0.00 0.50 -4.47 120.51 115.13 3ekj n ALA 140 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3ekj n ALA 140 Cb 0.48 0.88 0.00 0.00 0.00 0.00 0.00 19.45 20.81 3ekj n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ekj n GLY 141 N -0.44 0.70 3.58 0.00 0.00 -1.26 -1.94 105.19 105.83 3ekj n GLY 141 Ca -0.05 -0.60 -0.60 0.00 0.00 0.00 0.00 46.02 44.77 3ekj n GLY 141 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3ekj n ILE 142 N 0.00 0.01 -3.98 -0.61 5.41 -1.26 -4.98 119.36 113.96 3ekj n ILE 142 Ca 0.00 -0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 3ekj n ILE 142 Cb 0.00 -0.27 -0.05 0.00 -0.71 0.00 0.00 39.64 38.60 3ekj n ILE 142 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3ekj s THR 143 N 0.92 2.26 0.00 1.39 -4.23 -1.26 -4.99 115.64 109.73 3ekj s THR 143 Ca 0.94 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3ekj s THR 143 Cb -1.27 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 69.72 3ekj s THR 143 CO 0.62 0.00 0.00 0.18 -0.54 0.00 0.00 174.62 174.88 3ekj n LEU 144 N -1.39 0.00 0.00 4.79 4.77 -1.26 -5.11 117.00 118.80 3ekj n LEU 144 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3ekj n LEU 144 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3ekj n LEU 144 CO 0.44 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.30 3ekj n SER 157 N 10.23 0.00 -3.46 -1.43 7.64 -1.26 -4.90 113.62 120.43 3ekj n SER 157 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 3ekj n SER 157 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 3ekj n SER 157 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3ekj s MET 158 N 3.08 1.08 -0.12 1.43 -1.94 -1.26 -4.96 119.30 116.60 3ekj s MET 158 Ca 0.00 -0.32 -0.03 0.00 -1.71 0.00 0.00 55.69 53.63 3ekj s MET 158 Cb 0.00 0.50 0.05 0.00 2.01 0.00 0.00 34.83 37.39 3ekj s MET 158 CO 0.00 -0.46 0.05 0.08 -0.01 0.00 0.00 175.02 174.68 3ekj s VAL 159 N -3.20 0.16 0.78 -6.03 1.01 -1.26 -3.85 120.40 108.01 3ekj s VAL 159 Ca 0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.78 3ekj s VAL 159 Cb -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 3ekj s VAL 159 CO -0.09 -0.03 0.45 -1.54 0.00 0.00 0.00 175.10 173.89 3ekj n SER 160 N 5.20 -1.57 0.23 3.32 3.41 -1.26 -4.86 113.62 118.08 3ekj n SER 160 Ca -0.07 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.14 3ekj n SER 160 Cb 0.49 -1.20 0.55 0.00 -0.26 0.00 0.00 64.21 63.80 3ekj n SER 160 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ekj h LYS 161 N -0.65 0.00 0.00 4.33 3.64 -1.92 -2.81 116.57 119.17 3ekj h LYS 161 Ca -0.45 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.84 3ekj h LYS 161 Cb 1.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 3ekj h LYS 161 CO 0.40 0.19 -0.41 0.78 -2.27 0.00 0.00 179.45 178.14 3ekj h GLY 162 N 0.73 0.00 2.00 5.01 0.00 -1.74 -3.00 103.07 106.07 3ekj h GLY 162 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ekj h GLY 162 CO 0.02 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 174.35 3ekj n GLU 163 N -3.69 0.02 -0.02 4.80 2.13 -1.06 -2.23 120.64 120.59 3ekj n GLU 163 Ca -0.01 0.44 -0.12 0.00 0.66 0.00 0.00 57.16 58.13 3ekj n GLU 163 Cb 0.50 -1.56 -0.08 0.00 0.27 0.00 0.00 31.44 30.57 3ekj n GLU 163 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3ekj h GLU 164 N 0.00 0.11 -0.59 5.31 4.39 -1.70 -3.15 114.58 118.94 3ekj h GLU 164 Ca 0.00 -0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.83 3ekj h GLU 164 Cb 0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3ekj h GLU 164 CO 0.00 0.44 0.73 -0.07 -1.16 0.00 0.00 179.01 178.94 3ekj h LEU 165 N -0.24 0.00 -2.06 1.33 3.38 -1.67 -1.69 115.31 114.36 3ekj h LEU 165 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ekj h LEU 165 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ekj h LEU 165 CO 0.01 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.03 3ekj n PHE 166 N -3.44 0.20 -0.28 1.13 3.01 -1.19 -4.59 117.46 112.29 3ekj n PHE 166 Ca 0.12 -0.10 -0.06 0.00 1.01 0.00 0.00 57.45 58.41 3ekj n PHE 166 Cb 0.93 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.47 3ekj n PHE 166 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3ekj h THR 167 N 4.36 1.26 0.00 4.37 1.35 -1.38 -3.35 112.91 119.53 3ekj h THR 167 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3ekj h THR 167 Cb 0.95 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3ekj h THR 167 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 3ekj n GLY 168 N -0.83 1.38 3.37 5.82 0.00 -1.26 -4.54 105.19 109.14 3ekj n GLY 168 Ca 0.07 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3ekj n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ekj s VAL 169 N 4.17 3.83 -0.13 1.61 1.01 -1.26 -4.17 120.40 125.45 3ekj s VAL 169 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 3ekj s VAL 169 Cb 0.00 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3ekj s VAL 169 CO 0.00 0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 174.64 3ekj s VAL 170 N 1.54 3.01 0.40 2.92 1.01 -0.34 -4.96 120.40 123.98 3ekj s VAL 170 Ca 0.06 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.13 3ekj s VAL 170 Cb -0.15 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 3ekj s VAL 170 CO 0.00 0.52 1.00 -2.16 0.00 0.00 0.00 175.10 174.46 3ekj s PRO 171 N 0.38 4.25 0.02 2.72 0.04 -1.26 -0.06 135.00 141.09 3ekj s PRO 171 Ca -0.11 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.34 3ekj s PRO 171 Cb -0.16 -2.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 3ekj s PRO 171 CO 0.06 -0.03 -0.14 0.42 0.04 0.00 0.00 177.00 177.34 3ekj s ILE 172 N -1.81 3.08 -0.02 0.56 1.01 -0.83 -1.93 121.20 121.26 3ekj s ILE 172 Ca 0.58 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3ekj s ILE 172 Cb -0.17 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3ekj s ILE 172 CO 0.22 0.40 -0.13 -0.22 0.00 0.00 0.00 174.94 175.20 3ekj s LEU 173 N -1.31 1.94 0.03 2.97 2.96 -0.45 -2.51 118.68 122.30 3ekj s LEU 173 Ca 0.15 -0.26 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 3ekj s LEU 173 Cb -0.11 -0.73 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 3ekj s LEU 173 CO 0.05 0.14 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.37 3ekj s VAL 174 N -0.11 1.29 -0.05 1.68 1.01 0.19 -1.78 120.40 122.63 3ekj s VAL 174 Ca 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 3ekj s VAL 174 Cb -0.08 -1.13 0.04 0.00 0.00 0.00 0.00 36.38 35.21 3ekj s VAL 174 CO 0.00 0.13 0.11 -0.70 0.00 0.00 0.00 175.10 174.64 3ekj s GLU 175 N -0.99 0.01 -0.03 2.72 2.56 -0.49 -1.05 118.70 121.43 3ekj s GLU 175 Ca 0.04 0.38 0.02 0.00 0.00 0.00 0.00 54.97 55.41 3ekj s GLU 175 Cb -0.08 -0.28 0.01 0.00 2.00 0.00 0.00 34.13 35.78 3ekj s GLU 175 CO 0.01 -0.23 -0.09 -1.17 -0.56 0.00 0.00 175.26 173.22 3ekj s LEU 176 N 1.60 1.71 0.01 2.70 0.20 -0.62 -0.76 118.68 123.53 3ekj s LEU 176 Ca -0.04 -0.19 0.06 0.00 0.69 0.00 0.00 54.13 54.65 3ekj s LEU 176 Cb -0.12 -0.57 -0.03 0.00 -0.43 0.00 0.00 46.19 45.04 3ekj s LEU 176 CO -0.05 0.05 -0.17 -1.81 -0.29 0.00 0.00 176.35 174.08 3ekj s ASP 177 N 0.34 3.81 -0.10 3.68 -0.00 -0.83 -1.83 116.67 121.74 3ekj s ASP 177 Ca -0.06 -0.36 -0.20 0.00 -0.00 0.00 0.00 52.55 51.94 3ekj s ASP 177 Cb -0.10 -0.66 0.04 0.00 -0.00 0.00 0.00 42.92 42.20 3ekj s ASP 177 CO 0.01 0.29 0.48 -0.83 -0.00 0.00 0.00 175.17 175.11 3ekj s GLY 178 N -1.15 -0.35 -0.27 0.21 0.00 0.40 -0.47 107.32 105.70 3ekj s GLY 178 Ca 0.13 1.04 0.02 0.00 0.00 0.00 0.00 44.72 45.91 3ekj s GLY 178 CO 0.03 0.80 -0.04 -0.35 0.00 0.00 0.00 173.10 173.55 3ekj s ASP 179 N -0.57 4.19 -0.27 1.64 -1.08 -1.04 0.28 116.67 119.81 3ekj s ASP 179 Ca -0.07 -1.45 -0.10 0.00 -0.52 0.00 0.00 52.55 50.41 3ekj s ASP 179 Cb -0.03 -1.33 -0.05 0.00 -1.46 0.00 0.00 42.92 40.05 3ekj s ASP 179 CO 0.04 -0.26 0.17 -0.69 0.52 0.00 0.00 175.17 174.94 3ekj s VAL 180 N 1.25 5.11 -1.46 1.11 1.01 -0.96 -0.30 120.40 126.16 3ekj s VAL 180 Ca -0.02 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3ekj s VAL 180 Cb -0.19 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.82 3ekj s VAL 180 CO -0.08 0.27 1.05 0.59 0.00 0.00 0.00 175.10 176.93 3ekj n ASN 181 N 5.03 -5.25 0.00 3.32 4.13 0.17 0.01 115.26 122.67 3ekj n ASN 181 Ca -0.14 -0.69 0.00 0.00 1.68 0.00 0.00 54.58 55.43 3ekj n ASN 181 Cb 0.52 -4.33 0.00 0.00 -1.54 0.00 0.00 39.78 34.43 3ekj n ASN 181 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ekj n GLY 182 N -1.80 2.32 3.50 7.41 0.00 -1.26 -4.98 105.19 110.38 3ekj n GLY 182 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ekj n GLY 182 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ekj s HIS 183 N -2.88 2.53 0.49 1.61 3.76 0.10 -5.02 115.29 115.88 3ekj s HIS 183 Ca 0.00 -0.40 -0.21 0.00 -0.15 0.00 0.00 55.06 54.30 3ekj s HIS 183 Cb 0.00 -4.45 -0.07 0.00 1.11 0.00 0.00 32.58 29.16 3ekj s HIS 183 CO 0.00 -1.83 1.09 0.15 -0.85 0.00 0.00 174.74 173.29 3ekj s LYS 184 N 4.73 3.68 -0.07 1.40 1.02 -1.26 -2.28 119.74 126.97 3ekj s LYS 184 Ca 0.29 1.53 -0.32 0.00 0.02 0.00 0.00 55.97 57.49 3ekj s LYS 184 Cb -0.12 -2.16 0.12 0.00 -0.52 0.00 0.00 37.83 35.15 3ekj s LYS 184 CO 0.10 -0.56 1.14 -0.59 -0.92 0.00 0.00 175.35 174.52 3ekj s PHE 185 N -1.81 -0.15 -0.08 3.18 -0.71 0.14 -4.95 117.98 113.61 3ekj s PHE 185 Ca 0.68 0.04 -0.03 0.00 -1.04 0.00 0.00 56.93 56.58 3ekj s PHE 185 Cb -0.21 0.54 0.04 0.00 -1.21 0.00 0.00 43.02 42.18 3ekj s PHE 185 CO 0.25 -0.36 0.06 -1.12 -1.34 0.00 0.00 175.22 172.72 3ekj s SER 186 N -2.53 1.55 0.24 1.98 0.01 -1.26 -0.45 113.70 113.24 3ekj s SER 186 Ca 0.10 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.20 3ekj s SER 186 Cb 0.00 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 3ekj s SER 186 CO -0.04 -0.27 0.46 -0.69 0.41 0.00 0.00 173.24 173.10 3ekj s VAL 187 N 2.14 5.14 -0.09 3.43 1.01 -0.76 -0.61 120.40 130.65 3ekj s VAL 187 Ca 0.04 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 3ekj s VAL 187 Cb -0.13 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3ekj s VAL 187 CO -0.05 -0.26 0.26 -0.55 0.00 0.00 0.00 175.10 174.50 3ekj s SER 188 N -3.25 -0.25 -0.14 3.32 0.15 0.84 -1.58 113.70 112.79 3ekj s SER 188 Ca 0.40 0.45 -0.16 0.00 0.70 0.00 0.00 55.95 57.34 3ekj s SER 188 Cb -0.11 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 3ekj s SER 188 CO 0.30 -0.13 0.42 -0.83 1.20 0.00 0.00 173.24 174.20 3ekj s GLY 189 N -0.06 -0.31 0.06 9.45 0.00 -0.22 -0.30 107.32 115.93 3ekj s GLY 189 Ca -0.02 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.80 3ekj s GLY 189 CO 0.01 0.91 -0.05 -1.83 0.00 0.00 0.00 173.10 172.15 3ekj s GLU 190 N -0.05 0.63 0.00 2.90 -1.05 -0.72 0.56 118.70 120.97 3ekj s GLU 190 Ca -0.02 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 3ekj s GLU 190 Cb -0.03 0.02 0.00 0.00 -0.44 0.00 0.00 34.13 33.68 3ekj s GLU 190 CO 0.02 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.58 3ekj n GLY 191 N 0.40 -0.83 3.39 -3.83 0.00 -1.04 -0.55 105.19 102.72 3ekj n GLY 191 Ca -0.16 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3ekj n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ekj s GLU 192 N -0.70 0.86 0.07 1.61 2.02 0.11 -1.96 118.70 120.70 3ekj s GLU 192 Ca 0.00 0.08 0.09 0.00 0.02 0.00 0.00 54.97 55.16 3ekj s GLU 192 Cb 0.00 0.40 -0.03 0.00 0.10 0.00 0.00 34.13 34.59 3ekj s GLU 192 CO 0.00 -0.25 -0.24 0.20 0.02 0.00 0.00 175.26 174.99 3ekj s GLY 193 N -1.18 1.34 -0.45 -1.39 0.00 0.91 -1.46 107.32 105.10 3ekj s GLY 193 Ca -0.12 -1.25 0.03 0.00 0.00 0.00 0.00 44.72 43.38 3ekj s GLY 193 CO 0.07 -1.18 0.32 -0.35 0.00 0.00 0.00 173.10 171.95 3ekj s ASP 194 N -1.49 2.74 0.28 1.64 3.68 0.69 -1.19 116.67 123.01 3ekj s ASP 194 Ca 0.10 -2.92 -0.02 0.00 2.13 0.00 0.00 52.55 51.84 3ekj s ASP 194 Cb -0.10 -0.75 0.43 0.00 -1.45 0.00 0.00 42.92 41.06 3ekj s ASP 194 CO 0.03 -0.21 1.92 0.00 0.13 0.00 0.00 175.17 177.04 3ekj h ALA 195 N 6.11 1.42 0.00 3.66 0.00 -1.73 0.12 119.26 128.85 3ekj h ALA 195 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ekj h ALA 195 Cb 0.90 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ekj h ALA 195 CO 0.43 0.47 0.00 1.79 0.00 0.00 0.00 179.25 181.94 3ekj h THR 196 N 1.15 0.00 0.00 0.00 1.35 -1.80 -0.30 112.91 113.31 3ekj h THR 196 Ca 0.38 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3ekj h THR 196 Cb 0.06 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3ekj h THR 196 CO -0.13 0.00 -1.13 -1.22 -0.25 0.00 0.00 175.52 172.80 3ekj n TYR 197 N -2.73 0.00 -1.51 4.73 4.02 -0.11 -4.26 117.16 117.31 3ekj n TYR 197 Ca -0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 3ekj n TYR 197 Cb 0.14 -0.16 -0.01 0.00 -0.02 0.00 0.00 39.34 39.29 3ekj n TYR 197 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ekj n GLY 198 N 1.51 0.51 3.76 2.72 0.00 0.24 -4.31 105.19 109.62 3ekj n GLY 198 Ca 0.00 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 3ekj n GLY 198 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ekj s LYS 199 N -3.11 3.44 -0.06 1.61 2.20 -0.88 -2.12 119.74 120.82 3ekj s LYS 199 Ca 0.00 -0.26 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 3ekj s LYS 199 Cb 0.00 -3.08 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 3ekj s LYS 199 CO 0.00 0.64 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.97 3ekj s LEU 200 N -0.65 1.79 -0.04 5.43 1.43 -0.41 -0.23 118.68 126.00 3ekj s LEU 200 Ca 0.12 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3ekj s LEU 200 Cb -0.12 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.17 3ekj s LEU 200 CO 0.02 0.08 -0.15 0.42 0.23 0.00 0.00 176.35 176.95 3ekj s THR 201 N 0.43 1.31 -0.21 5.49 -4.23 -0.53 -1.76 115.64 116.14 3ekj s THR 201 Ca -0.12 -0.64 -0.22 0.00 -1.18 0.00 0.00 61.69 59.53 3ekj s THR 201 Cb -0.15 -1.14 0.06 0.00 1.34 0.00 0.00 72.50 72.62 3ekj s THR 201 CO 0.04 0.38 0.61 -0.76 -0.54 0.00 0.00 174.62 174.35 3ekj s LEU 202 N 0.14 -0.34 -0.05 4.79 1.43 -0.93 0.05 118.68 123.77 3ekj s LEU 202 Ca -0.05 1.17 0.04 0.00 -1.03 0.00 0.00 54.13 54.25 3ekj s LEU 202 Cb -0.12 2.12 -0.02 0.00 0.03 0.00 0.00 46.19 48.20 3ekj s LEU 202 CO 0.02 -0.25 -0.16 -0.75 0.23 0.00 0.00 176.35 175.44 3ekj s LYS 203 N 0.17 2.53 -0.08 1.70 2.20 0.28 -1.13 119.74 125.40 3ekj s LYS 203 Ca -0.01 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.89 3ekj s LYS 203 Cb -0.04 -2.34 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3ekj s LYS 203 CO 0.02 0.56 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.31 3ekj s PHE 204 N -0.58 2.13 -0.09 4.03 0.40 0.16 -1.76 117.98 122.27 3ekj s PHE 204 Ca 0.08 -0.83 -0.00 0.00 -0.60 0.00 0.00 56.93 55.58 3ekj s PHE 204 Cb -0.11 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 3ekj s PHE 204 CO 0.01 -0.35 -0.07 0.42 0.70 0.00 0.00 175.22 175.93 3ekj s ILE 205 N 0.42 3.69 -0.83 0.64 -1.09 0.58 -0.44 121.20 124.18 3ekj s ILE 205 Ca -0.16 -0.47 -0.22 0.00 -2.23 0.00 0.00 60.65 57.57 3ekj s ILE 205 Cb -0.17 -2.54 0.08 0.00 -1.58 0.00 0.00 42.46 38.26 3ekj s ILE 205 CO 0.07 0.57 1.14 0.00 -1.23 0.00 0.00 174.94 175.48 3ekj n THR 207 N 5.98 0.91 1.15 0.00 -2.24 0.22 -3.15 114.28 117.15 3ekj n THR 207 Ca 0.13 0.46 0.12 0.00 -2.27 0.00 0.00 64.05 62.49 3ekj n THR 207 Cb 0.48 -1.42 0.21 0.00 -2.10 0.00 0.00 70.33 67.49 3ekj n THR 207 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ekj n THR 208 N -2.27 0.00 0.00 4.28 -2.24 -1.24 -4.99 114.28 107.82 3ekj n THR 208 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3ekj n THR 208 Cb 0.14 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3ekj n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ekj n GLY 209 N 1.33 0.41 3.66 3.38 0.00 -1.19 -5.02 105.19 107.78 3ekj n GLY 209 Ca 0.13 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 3ekj n GLY 209 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ekj s LYS 210 N -0.01 4.26 0.07 1.61 2.47 -1.26 -4.59 119.74 122.28 3ekj s LYS 210 Ca 0.00 0.91 -0.30 0.00 -1.56 0.00 0.00 55.97 55.02 3ekj s LYS 210 Cb 0.00 -3.59 -0.09 0.00 -1.46 0.00 0.00 37.83 32.69 3ekj s LYS 210 CO 0.00 -0.34 1.87 -1.17 0.16 0.00 0.00 175.35 175.87 3ekj s LEU 211 N 2.21 4.41 0.00 5.43 2.96 -1.26 -4.86 118.68 127.56 3ekj s LEU 211 Ca 0.35 2.67 0.22 0.00 -0.22 0.00 0.00 54.13 57.16 3ekj s LEU 211 Cb -0.16 -3.55 1.00 0.00 0.50 0.00 0.00 46.19 43.98 3ekj s LEU 211 CO 0.11 -1.02 1.71 -0.81 -1.32 0.00 0.00 176.35 175.02 3ekj n PRO 212 N 6.61 0.11 -4.31 0.98 -0.04 -1.26 -4.79 135.00 132.29 3ekj n PRO 212 Ca 0.19 0.11 -0.17 0.00 -0.04 0.00 0.00 63.50 63.59 3ekj n PRO 212 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3ekj n PRO 212 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3ekj s VAL 213 N -2.86 1.50 0.46 0.52 -7.23 -1.26 -4.43 120.40 107.10 3ekj s VAL 213 Ca 0.14 -2.15 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 3ekj s VAL 213 Cb 0.14 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 3ekj s VAL 213 CO 0.38 -0.63 1.17 -2.84 -0.31 0.00 0.00 175.10 172.87 3ekj s PRO 214 N -3.69 3.75 0.22 4.82 0.02 -1.25 -4.93 135.00 133.94 3ekj s PRO 214 Ca 0.21 1.78 -0.09 0.00 0.02 0.00 0.00 61.00 62.92 3ekj s PRO 214 Cb 0.01 -2.40 0.19 0.00 0.02 0.00 0.00 34.50 32.32 3ekj s PRO 214 CO 0.05 -0.56 1.89 -1.49 -0.33 0.00 0.00 177.00 176.55 3ekj h TRP 215 N 2.04 1.08 -0.58 6.54 4.06 -1.97 -2.19 115.95 124.94 3ekj h TRP 215 Ca -0.49 0.01 0.16 0.00 2.06 0.00 0.00 58.89 60.63 3ekj h TRP 215 Cb 1.25 -0.36 -0.03 0.00 -1.00 0.00 0.00 29.16 29.02 3ekj h TRP 215 CO 0.53 0.70 0.41 -1.35 -3.56 0.00 0.00 178.44 175.17 3ekj h PRO 216 N 1.15 0.07 0.00 0.49 0.11 -1.91 0.11 132.00 132.02 3ekj h PRO 216 Ca 0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3ekj h PRO 216 Cb -0.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3ekj h PRO 216 CO -0.06 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.02 3ekj n THR 217 N -4.39 1.00 0.27 -1.15 -2.24 -0.82 -2.89 114.28 104.06 3ekj n THR 217 Ca 0.11 0.31 0.05 0.00 -2.27 0.00 0.00 64.05 62.25 3ekj n THR 217 Cb 0.61 -1.19 0.08 0.00 -2.10 0.00 0.00 70.33 67.72 3ekj n THR 217 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ekj n LEU 218 N -1.93 2.20 0.19 3.22 4.77 0.37 -4.62 117.00 121.21 3ekj n LEU 218 Ca 0.02 -1.30 -0.14 0.00 -0.03 0.00 0.00 56.01 54.56 3ekj n LEU 218 Cb 0.17 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3ekj n LEU 218 CO 0.15 0.47 0.61 0.58 -1.33 0.00 0.00 177.39 177.87 3ekj h VAL 219 N 2.09 0.66 -0.48 4.08 2.07 -1.41 0.21 116.25 123.48 3ekj h VAL 219 Ca 0.00 -0.39 0.09 0.00 0.82 0.00 0.00 66.70 67.21 3ekj h VAL 219 Cb 0.53 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.09 3ekj h VAL 219 CO 0.00 0.08 0.03 0.71 0.02 0.00 0.00 177.57 178.41 3ekj h THR 220 N -0.69 0.66 -0.38 2.57 1.35 -1.82 -1.08 112.91 113.53 3ekj h THR 220 Ca -0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ekj h THR 220 Cb 0.48 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.38 3ekj h THR 220 CO 0.08 0.03 0.24 0.74 -0.25 0.00 0.00 175.52 176.36 3ekj h THR 221 N 0.15 1.11 0.00 6.82 2.02 -1.82 -3.46 112.91 117.74 3ekj h THR 221 Ca 0.24 -0.23 -0.19 0.00 0.77 0.00 0.00 66.41 67.00 3ekj h THR 221 Cb 0.34 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3ekj h THR 221 CO -0.37 0.11 0.80 0.18 0.37 0.00 0.00 175.52 176.61 3ekj n LEU 222 N -4.81 3.55 0.00 2.58 4.77 0.74 -5.06 117.00 118.77 3ekj n LEU 222 Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.71 3ekj n LEU 222 Cb 0.04 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 3ekj n LEU 222 CO 0.35 0.70 0.00 1.33 -1.33 0.00 0.00 177.39 178.43 3ekj n VAL 226 N 3.18 0.00 1.42 4.08 0.24 -1.26 -5.05 118.33 120.93 3ekj n VAL 226 Ca 0.30 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.73 3ekj n VAL 226 Cb 0.40 0.00 0.48 0.00 -1.47 0.00 0.00 33.84 33.25 3ekj n VAL 226 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ekj n GLN 227 N 0.00 1.67 0.13 7.34 6.02 -1.26 -2.92 117.38 128.36 3ekj n GLN 227 Ca 0.00 -0.99 0.11 0.00 -0.01 0.00 0.00 57.00 56.12 3ekj n GLN 227 Cb 0.00 -1.45 0.50 0.00 1.02 0.00 0.00 30.24 30.31 3ekj n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ekj n PHE 229 N -2.22 1.29 -1.63 0.00 3.72 -1.15 -4.70 117.46 112.77 3ekj n PHE 229 Ca 0.01 -0.46 -0.29 0.00 -0.05 0.00 0.00 57.45 56.66 3ekj n PHE 229 Cb 0.18 -0.32 0.10 0.00 -0.94 0.00 0.00 39.48 38.51 3ekj n PHE 229 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3ekj s SER 230 N -0.61 4.18 -0.31 4.37 0.01 -0.70 -4.31 113.70 116.34 3ekj s SER 230 Ca 0.36 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.73 3ekj s SER 230 Cb 0.26 -1.72 0.08 0.00 0.21 0.00 0.00 66.02 64.86 3ekj s SER 230 CO 0.13 -2.14 -0.01 -0.60 0.41 0.00 0.00 173.24 171.03 3ekj s ARG 231 N -5.28 1.81 -0.21 12.44 6.06 -1.06 -4.76 118.95 127.94 3ekj s ARG 231 Ca 0.62 -1.66 -0.21 0.00 -2.50 0.00 0.00 55.73 51.98 3ekj s ARG 231 Cb -0.14 -3.09 -0.02 0.00 0.06 0.00 0.00 34.95 31.76 3ekj s ARG 231 CO 0.53 -0.79 0.63 0.71 -2.50 0.00 0.00 175.30 173.88 3ekj s TYR 232 N 0.99 3.36 0.80 5.12 1.51 -1.26 -1.28 117.35 126.59 3ekj s TYR 232 Ca 0.03 0.91 -0.16 0.00 -1.01 0.00 0.00 57.07 56.84 3ekj s TYR 232 Cb -0.19 -2.80 -0.07 0.00 -0.11 0.00 0.00 41.96 38.78 3ekj s TYR 232 CO -0.07 -0.19 0.05 -2.30 -1.11 0.00 0.00 175.55 171.93 3ekj n PRO 233 N 5.14 0.06 -0.18 -1.71 -0.02 -1.26 -4.66 135.00 132.35 3ekj n PRO 233 Ca -0.01 0.04 -0.02 0.00 -2.02 0.00 0.00 63.50 61.49 3ekj n PRO 233 Cb 0.50 -1.48 0.05 0.00 -0.02 0.00 0.00 33.50 32.54 3ekj n PRO 233 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ekj h ASP 234 N -0.71 -0.53 0.02 2.55 5.19 -2.00 0.89 116.42 121.83 3ekj h ASP 234 Ca -0.44 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3ekj h ASP 234 Cb 1.34 0.35 0.00 0.00 0.18 0.00 0.00 39.33 41.20 3ekj h ASP 234 CO 0.36 -0.19 0.00 0.00 -3.12 0.00 0.00 179.24 176.29 3ekj n HIS 235 N -5.39 0.00 -0.48 4.55 1.44 -1.26 -2.66 115.22 111.42 3ekj n HIS 235 Ca 0.06 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.78 3ekj n HIS 235 Cb 0.29 -0.03 0.02 0.00 0.12 0.00 0.00 29.99 30.39 3ekj n HIS 235 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3ekj n MET 236 N -1.03 1.90 0.21 -1.40 2.81 0.26 -4.80 117.12 115.08 3ekj n MET 236 Ca 0.09 -1.35 0.15 0.00 -1.81 0.00 0.00 57.70 54.77 3ekj n MET 236 Cb 0.05 -0.91 0.74 0.00 -0.71 0.00 0.00 33.22 32.38 3ekj n MET 236 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3ekj h LYS 237 N 0.00 0.00 0.00 0.03 1.79 -1.20 -2.30 116.57 114.90 3ekj h LYS 237 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ekj h LYS 237 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 3ekj h LYS 237 CO 0.00 0.00 -0.58 0.00 -1.08 0.00 0.00 179.45 177.79 3ekj n GLN 238 N -2.56 0.25 -0.05 3.15 10.64 -1.25 -3.55 117.38 124.02 3ekj n GLN 238 Ca -0.01 0.08 0.12 0.00 -1.83 0.00 0.00 57.00 55.36 3ekj n GLN 238 Cb 0.12 -1.66 0.35 0.00 -0.86 0.00 0.00 30.24 28.18 3ekj n GLN 238 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3ekj n HIS 239 N -2.03 0.13 -2.71 2.61 8.25 -0.86 -4.74 115.22 115.86 3ekj n HIS 239 Ca 0.04 -0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 3ekj n HIS 239 Cb 0.43 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3ekj n HIS 239 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ekj s ASP 240 N -1.81 6.49 0.32 0.41 -1.08 -1.23 -4.35 116.67 115.41 3ekj s ASP 240 Ca 0.34 -1.55 -0.01 0.00 -0.52 0.00 0.00 52.55 50.82 3ekj s ASP 240 Cb 0.20 -2.50 0.51 0.00 -1.46 0.00 0.00 42.92 39.67 3ekj s ASP 240 CO 0.31 -1.37 1.98 0.15 0.52 0.00 0.00 175.17 176.75 3ekj h PHE 241 N 9.46 0.96 -0.43 -5.34 3.57 -1.87 -3.28 116.94 120.00 3ekj h PHE 241 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 3ekj h PHE 241 Cb 1.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3ekj h PHE 241 CO 1.20 0.60 0.07 0.74 -2.23 0.00 0.00 178.31 178.70 3ekj h PHE 242 N 1.04 0.76 0.04 0.41 0.04 -1.88 -2.77 116.94 114.58 3ekj h PHE 242 Ca 0.28 -0.11 -0.22 0.00 2.80 0.00 0.00 57.97 60.73 3ekj h PHE 242 Cb -0.11 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.82 3ekj h PHE 242 CO -0.00 0.73 -1.01 0.87 -0.60 0.00 0.00 178.31 178.30 3ekj h LYS 243 N 0.58 0.15 -0.27 1.51 1.57 -1.84 -3.29 116.57 114.97 3ekj h LYS 243 Ca 0.13 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3ekj h LYS 243 Cb 0.38 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 3ekj h LYS 243 CO 0.01 1.03 0.11 0.66 -0.57 0.00 0.00 179.45 180.70 3ekj h SER 244 N 0.06 0.33 0.51 0.86 4.64 -1.58 -1.84 113.55 116.53 3ekj h SER 244 Ca -0.06 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3ekj h SER 244 Cb 1.70 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 3ekj h SER 244 CO 0.15 0.30 0.00 0.00 -0.87 0.00 0.00 176.83 176.41 3ekj n ALA 245 N -2.49 1.83 -2.89 5.18 0.00 -1.06 -4.62 120.51 116.46 3ekj n ALA 245 Ca 0.01 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 3ekj n ALA 245 Cb 0.12 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 3ekj n ALA 245 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ekj s MET 246 N -2.87 3.45 0.00 0.00 1.00 -0.69 -0.24 119.30 119.95 3ekj s MET 246 Ca 0.11 -0.25 0.26 0.00 0.00 0.00 0.00 55.69 55.81 3ekj s MET 246 Cb 0.11 -3.12 0.77 0.00 0.00 0.00 0.00 34.83 32.59 3ekj s MET 246 CO 0.30 0.70 1.59 -0.35 0.00 0.00 0.00 175.02 177.26 3ekj n PRO 247 N 1.23 0.28 -0.29 2.03 -0.04 -1.26 -4.01 135.00 132.94 3ekj n PRO 247 Ca -0.13 -0.14 0.03 0.00 -0.04 0.00 0.00 63.50 63.22 3ekj n PRO 247 Cb 0.53 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 3ekj n PRO 247 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ekj h GLU 248 N 0.34 1.00 0.00 0.54 3.07 -1.91 -3.05 114.58 114.57 3ekj h GLU 248 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3ekj h GLU 248 Cb 0.48 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3ekj h GLU 248 CO 0.00 0.66 0.00 0.41 -1.40 0.00 0.00 179.01 178.68 3ekj n GLY 249 N -1.40 -2.94 3.25 -3.84 0.00 0.67 -4.51 105.19 96.41 3ekj n GLY 249 Ca 0.13 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 3ekj n GLY 249 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ekj s TYR 250 N -0.48 1.04 -0.18 1.61 -0.85 -0.72 -1.54 117.35 116.23 3ekj s TYR 250 Ca 0.00 -1.29 -0.01 0.00 -0.52 0.00 0.00 57.07 55.26 3ekj s TYR 250 Cb 0.00 -0.46 0.00 0.00 0.38 0.00 0.00 41.96 41.88 3ekj s TYR 250 CO 0.00 -0.68 -0.13 0.42 -1.52 0.00 0.00 175.55 173.63 3ekj s ILE 251 N -4.14 2.72 -0.18 -3.49 -1.09 0.98 -1.16 121.20 114.86 3ekj s ILE 251 Ca 0.36 -0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 58.01 3ekj s ILE 251 Cb 0.06 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.74 3ekj s ILE 251 CO 0.11 0.50 -0.03 -1.58 -1.23 0.00 0.00 174.94 172.71 3ekj s GLN 252 N 1.10 3.61 -0.06 2.79 0.74 0.51 -1.70 119.66 126.66 3ekj s GLN 252 Ca 0.00 -0.54 0.04 0.00 0.05 0.00 0.00 55.36 54.91 3ekj s GLN 252 Cb -0.14 -2.97 0.00 0.00 1.10 0.00 0.00 33.01 31.00 3ekj s GLN 252 CO -0.04 0.12 -0.16 -1.21 -0.55 0.00 0.00 175.29 173.45 3ekj s GLU 253 N 0.68 1.87 0.09 1.67 2.02 -0.13 -0.35 118.70 124.55 3ekj s GLU 253 Ca -0.02 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3ekj s GLU 253 Cb -0.14 -1.57 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 3ekj s GLU 253 CO 0.02 0.16 -0.08 1.03 0.02 0.00 0.00 175.26 176.41 3ekj s ARG 254 N 0.28 0.78 -0.10 1.61 0.52 -0.86 -1.48 118.95 119.70 3ekj s ARG 254 Ca -0.09 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.02 3ekj s ARG 254 Cb -0.14 -0.37 0.00 0.00 0.52 0.00 0.00 34.95 34.97 3ekj s ARG 254 CO 0.03 0.04 -0.22 0.99 0.02 0.00 0.00 175.30 176.17 3ekj s THR 255 N -2.63 1.90 -0.14 0.02 2.01 -0.85 -0.91 115.64 115.03 3ekj s THR 255 Ca 0.04 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.14 3ekj s THR 255 Cb -0.02 -1.65 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 3ekj s THR 255 CO -0.02 0.52 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.63 3ekj s ILE 256 N 0.45 2.51 -0.33 1.82 1.01 -0.11 -2.14 121.20 124.40 3ekj s ILE 256 Ca -0.17 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3ekj s ILE 256 Cb -0.17 -2.03 0.06 0.00 0.01 0.00 0.00 42.46 40.33 3ekj s ILE 256 CO 0.07 0.53 0.06 -0.36 0.00 0.00 0.00 174.94 175.25 3ekj s PHE 257 N 0.62 3.34 -0.40 3.97 0.40 -0.70 -0.85 117.98 124.35 3ekj s PHE 257 Ca -0.10 -1.91 -0.27 0.00 -0.60 0.00 0.00 56.93 54.04 3ekj s PHE 257 Cb -0.16 -2.39 0.02 0.00 0.51 0.00 0.00 43.02 41.00 3ekj s PHE 257 CO 0.03 -0.83 1.02 -0.06 0.70 0.00 0.00 175.22 176.08 3ekj s PHE 258 N 1.25 3.00 0.27 0.36 0.08 -0.56 -0.79 117.98 121.60 3ekj s PHE 258 Ca -0.01 0.81 -0.29 0.00 0.12 0.00 0.00 56.93 57.55 3ekj s PHE 258 Cb -0.20 -3.92 -0.14 0.00 -0.57 0.00 0.00 43.02 38.19 3ekj s PHE 258 CO -0.01 -0.97 1.11 1.17 -0.10 0.00 0.00 175.22 176.41 3ekj n LYS 259 N 7.14 1.47 -2.95 0.44 4.81 -1.06 -1.40 118.16 126.61 3ekj n LYS 259 Ca 0.09 0.52 -0.19 0.00 -0.87 0.00 0.00 58.31 57.86 3ekj n LYS 259 Cb 0.48 -1.96 0.00 0.00 0.02 0.00 0.00 35.03 33.57 3ekj n LYS 259 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ekj n ASP 260 N 1.41 -4.41 -0.62 3.14 8.00 -1.26 -4.83 116.55 117.98 3ekj n ASP 260 Ca 0.10 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3ekj n ASP 260 Cb 0.31 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 3ekj n ASP 260 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3ekj n ASP 261 N -2.17 0.00 -3.21 -2.24 -0.08 -0.50 -4.95 116.55 103.40 3ekj n ASP 261 Ca -0.09 -0.62 0.00 0.00 -1.51 0.00 0.00 54.79 52.57 3ekj n ASP 261 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 3ekj n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ekj n GLY 262 N 0.00 -1.29 3.31 0.27 0.00 -1.15 -4.55 105.19 101.79 3ekj n GLY 262 Ca 0.00 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3ekj n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ekj s ASN 263 N -1.21 -0.52 0.36 1.61 2.20 -0.18 -1.49 114.94 115.71 3ekj s ASN 263 Ca 0.00 0.92 -0.19 0.00 -0.94 0.00 0.00 52.86 52.66 3ekj s ASN 263 Cb 0.00 0.84 -0.10 0.00 -2.00 0.00 0.00 41.25 39.99 3ekj s ASN 263 CO 0.00 -0.18 0.84 -0.31 -2.94 0.00 0.00 177.10 174.50 3ekj s TYR 264 N 1.08 3.39 -0.07 1.54 2.02 -0.03 -2.04 117.35 123.24 3ekj s TYR 264 Ca -0.07 1.43 -0.03 0.00 -0.37 0.00 0.00 57.07 58.04 3ekj s TYR 264 Cb -0.07 -2.70 0.04 0.00 -0.40 0.00 0.00 41.96 38.84 3ekj s TYR 264 CO -0.09 0.04 0.12 0.21 -1.57 0.00 0.00 175.55 174.26 3ekj s LYS 265 N -2.92 0.00 0.07 -0.62 2.20 0.95 -0.94 119.74 118.48 3ekj s LYS 265 Ca 0.56 0.47 0.05 0.00 -0.36 0.00 0.00 55.97 56.70 3ekj s LYS 265 Cb -0.11 -0.33 -0.03 0.00 -1.51 0.00 0.00 37.83 35.86 3ekj s LYS 265 CO 0.16 -0.29 -0.15 0.95 -0.36 0.00 0.00 175.35 175.66 3ekj s THR 266 N 2.08 1.20 -0.10 3.43 -4.23 -0.09 -0.94 115.64 116.99 3ekj s THR 266 Ca 0.02 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 3ekj s THR 266 Cb -0.12 -1.12 0.04 0.00 1.34 0.00 0.00 72.50 72.64 3ekj s THR 266 CO -0.05 -0.13 0.07 -0.60 -0.54 0.00 0.00 174.62 173.38 3ekj s ARG 267 N -1.58 -0.00 -0.00 3.99 3.52 -0.88 -2.02 118.95 121.98 3ekj s ARG 267 Ca 0.00 0.16 0.08 0.00 -0.13 0.00 0.00 55.73 55.84 3ekj s ARG 267 Cb -0.09 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 32.15 3ekj s ARG 267 CO 0.02 -0.48 -0.23 0.00 -0.81 0.00 0.00 175.30 173.80 3ekj s ALA 268 N 2.15 2.32 -0.23 6.12 0.00 0.53 -2.52 121.76 130.13 3ekj s ALA 268 Ca 0.04 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.76 3ekj s ALA 268 Cb -0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 3ekj s ALA 268 CO -0.06 0.54 0.13 -1.21 0.00 0.00 0.00 175.76 175.16 3ekj s GLU 269 N -0.89 4.00 -0.33 0.00 2.02 -0.53 -0.36 118.70 122.61 3ekj s GLU 269 Ca 0.11 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.81 3ekj s GLU 269 Cb -0.10 -3.46 0.08 0.00 0.10 0.00 0.00 34.13 30.76 3ekj s GLU 269 CO 0.01 0.07 0.03 0.08 0.02 0.00 0.00 175.26 175.47 3ekj s VAL 270 N 1.01 2.56 0.15 2.63 1.01 -0.30 -1.83 120.40 125.63 3ekj s VAL 270 Ca 0.06 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 59.99 3ekj s VAL 270 Cb -0.14 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 3ekj s VAL 270 CO 0.04 -0.40 0.28 -1.59 0.00 0.00 0.00 175.10 173.43 3ekj s LYS 271 N 1.05 1.10 0.05 2.72 -2.85 -0.68 -1.75 119.74 119.39 3ekj s LYS 271 Ca 0.03 -1.10 -0.30 0.00 -1.00 0.00 0.00 55.97 53.59 3ekj s LYS 271 Cb -0.20 0.38 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 3ekj s LYS 271 CO -0.05 -0.40 1.14 -0.06 0.10 0.00 0.00 175.35 176.08 3ekj s PHE 272 N -3.94 3.50 -0.14 1.78 0.08 -1.15 -0.88 117.98 117.22 3ekj s PHE 272 Ca 0.14 1.41 -0.00 0.00 0.12 0.00 0.00 56.93 58.60 3ekj s PHE 272 Cb 0.03 -3.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.17 3ekj s PHE 272 CO -0.03 -0.94 -0.08 -1.21 -0.10 0.00 0.00 175.22 172.87 3ekj s GLU 273 N 1.02 1.62 3.97 0.44 2.02 0.03 -4.94 118.70 122.86 3ekj s GLU 273 Ca 0.57 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.12 3ekj s GLU 273 Cb -0.27 -1.87 0.00 0.00 0.10 0.00 0.00 34.13 32.09 3ekj s GLU 273 CO 0.29 -0.34 0.00 0.41 0.02 0.00 0.00 175.26 175.64 3ekj n GLY 274 N 4.88 3.13 1.85 -1.39 0.00 -1.26 -1.66 105.19 110.74 3ekj n GLY 274 Ca -0.13 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.90 3ekj n GLY 274 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ekj n ASP 275 N 3.67 4.69 -3.95 1.61 5.75 -1.26 -4.93 116.55 122.14 3ekj n ASP 275 Ca 0.00 -3.02 -0.23 0.00 -0.01 0.00 0.00 54.79 51.53 3ekj n ASP 275 Cb 0.00 -0.71 -0.17 0.00 -1.03 0.00 0.00 41.12 39.21 3ekj n ASP 275 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3ekj s THR 276 N -2.67 0.84 -0.18 2.12 2.01 -0.66 -4.24 115.64 112.86 3ekj s THR 276 Ca 0.49 -0.29 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 3ekj s THR 276 Cb 0.39 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 3ekj s THR 276 CO 0.13 0.30 1.42 -0.22 -0.69 0.00 0.00 174.62 175.56 3ekj s LEU 277 N 0.94 4.09 -0.08 4.42 1.98 -0.81 -0.79 118.68 128.44 3ekj s LEU 277 Ca -0.10 1.69 0.04 0.00 -2.89 0.00 0.00 54.13 52.87 3ekj s LEU 277 Cb -0.15 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.15 3ekj s LEU 277 CO 0.01 -0.96 -0.21 -0.69 -1.89 0.00 0.00 176.35 172.61 3ekj s VAL 278 N 4.14 2.41 -0.29 1.68 1.01 -0.06 -1.35 120.40 127.94 3ekj s VAL 278 Ca 0.62 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.69 3ekj s VAL 278 Cb -0.24 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.30 3ekj s VAL 278 CO 0.22 0.56 0.03 0.21 0.00 0.00 0.00 175.10 176.13 3ekj s ASN 279 N -0.08 4.12 -0.19 3.32 2.47 -0.73 -1.69 114.94 122.16 3ekj s ASN 279 Ca -0.05 -1.59 -0.06 0.00 0.42 0.00 0.00 52.86 51.58 3ekj s ASN 279 Cb -0.14 -1.16 -0.03 0.00 -1.45 0.00 0.00 41.25 38.46 3ekj s ASN 279 CO 0.04 -0.34 0.04 -0.13 -3.72 0.00 0.00 177.10 172.99 3ekj s ARG 280 N 1.36 3.79 0.01 0.43 0.52 -0.76 -1.40 118.95 122.91 3ekj s ARG 280 Ca 0.04 -0.43 0.05 0.00 -0.52 0.00 0.00 55.73 54.87 3ekj s ARG 280 Cb -0.18 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 3ekj s ARG 280 CO -0.14 0.13 -0.16 0.42 0.02 0.00 0.00 175.30 175.57 3ekj s ILE 281 N 0.74 1.26 -0.13 1.52 1.01 0.06 -1.45 121.20 124.22 3ekj s ILE 281 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.85 3ekj s ILE 281 Cb -0.14 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3ekj s ILE 281 CO 0.02 0.23 -0.17 -1.83 0.00 0.00 0.00 174.94 173.19 3ekj s GLU 282 N -0.70 2.52 -0.02 2.79 -1.05 -1.05 -1.95 118.70 119.23 3ekj s GLU 282 Ca 0.05 -0.67 0.04 0.00 -0.15 0.00 0.00 54.97 54.25 3ekj s GLU 282 Cb -0.07 -2.13 -0.03 0.00 -0.44 0.00 0.00 34.13 31.47 3ekj s GLU 282 CO 0.00 -0.08 -0.13 -1.17 0.95 0.00 0.00 175.26 174.83 3ekj s LEU 283 N 1.02 2.81 -0.10 1.83 0.20 0.38 -2.07 118.68 122.76 3ekj s LEU 283 Ca -0.04 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.53 3ekj s LEU 283 Cb -0.15 -1.61 0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3ekj s LEU 283 CO -0.04 0.31 -0.02 -0.75 -0.29 0.00 0.00 176.35 175.57 3ekj s LYS 284 N -1.03 0.91 -0.20 1.98 2.20 -0.12 -2.50 119.74 120.98 3ekj s LYS 284 Ca 0.13 -0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.62 3ekj s LYS 284 Cb -0.11 -1.32 -0.02 0.00 -1.51 0.00 0.00 37.83 34.87 3ekj s LYS 284 CO 0.03 -0.34 -0.01 0.20 -0.36 0.00 0.00 175.35 174.87 3ekj s GLY 285 N 1.87 1.69 0.35 5.54 0.00 0.59 -0.04 107.32 117.33 3ekj s GLY 285 Ca 0.04 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.81 3ekj s GLY 285 CO -0.06 0.25 -0.00 -0.26 0.00 0.00 0.00 173.10 173.02 3ekj s ILE 286 N 1.05 1.72 -1.11 0.90 -4.36 -0.86 0.44 121.20 118.97 3ekj s ILE 286 Ca 0.02 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3ekj s ILE 286 Cb -0.14 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.78 3ekj s ILE 286 CO 0.01 -0.09 0.00 0.47 0.24 0.00 0.00 174.94 175.58 3ekj n ASP 287 N -0.78 -4.14 -4.73 4.36 9.92 -1.26 -1.01 116.55 118.91 3ekj n ASP 287 Ca -0.04 0.20 -0.41 0.00 -0.53 0.00 0.00 54.79 54.01 3ekj n ASP 287 Cb 0.66 -2.81 -0.04 0.00 -0.64 0.00 0.00 41.12 38.29 3ekj n ASP 287 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3ekj s PHE 288 N -2.44 3.71 0.06 1.24 0.40 -1.26 -2.91 117.98 116.78 3ekj s PHE 288 Ca 0.00 1.58 -0.31 0.00 -0.60 0.00 0.00 56.93 57.60 3ekj s PHE 288 Cb 0.00 -2.95 -0.08 0.00 0.51 0.00 0.00 43.02 40.50 3ekj s PHE 288 CO 0.00 0.16 1.70 0.15 0.70 0.00 0.00 175.22 177.93 3ekj s LYS 289 N 0.33 4.18 0.49 0.44 1.02 -1.26 -4.90 119.74 120.04 3ekj s LYS 289 Ca 0.44 2.37 0.16 0.00 0.02 0.00 0.00 55.97 58.96 3ekj s LYS 289 Cb -0.21 -3.68 1.18 0.00 -0.52 0.00 0.00 37.83 34.61 3ekj s LYS 289 CO 0.25 -0.77 2.06 0.93 -0.92 0.00 0.00 175.35 176.89 3ekj h GLU 290 N 8.64 0.17 -0.25 1.68 4.39 -1.98 -1.35 114.58 125.88 3ekj h GLU 290 Ca -0.43 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.26 3ekj h GLU 290 Cb 1.20 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3ekj h GLU 290 CO 0.94 0.12 0.00 -0.40 -1.16 0.00 0.00 179.01 178.50 3ekj n ASP 291 N -4.47 3.71 -3.56 1.42 3.85 -1.26 -3.60 116.55 112.64 3ekj n ASP 291 Ca 0.04 -2.92 0.00 0.00 -0.71 0.00 0.00 54.79 51.20 3ekj n ASP 291 Cb 0.28 -0.51 0.00 0.00 -1.35 0.00 0.00 41.12 39.55 3ekj n ASP 291 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ekj n GLY 292 N -0.45 -1.48 0.06 6.12 0.00 -0.51 -4.70 105.19 104.22 3ekj n GLY 292 Ca 0.20 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 45.09 3ekj n GLY 292 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ekj n ASN 293 N 0.00 0.54 -0.07 1.61 3.02 -1.26 -2.96 115.26 116.14 3ekj n ASN 293 Ca 0.00 0.04 -0.07 0.00 -0.03 0.00 0.00 54.58 54.52 3ekj n ASN 293 Cb 0.00 0.98 -0.02 0.00 -0.61 0.00 0.00 39.78 40.13 3ekj n ASN 293 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3ekj n ILE 294 N -2.30 1.13 -0.10 2.41 -0.00 -1.26 -1.85 119.36 117.39 3ekj n ILE 294 Ca -0.00 0.23 -0.03 0.00 -0.00 0.00 0.00 62.75 62.94 3ekj n ILE 294 Cb 0.51 -2.14 0.18 0.00 -0.00 0.00 0.00 39.64 38.19 3ekj n ILE 294 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3ekj h LEU 295 N -0.75 0.73 -0.03 1.39 3.38 -1.79 -2.06 115.31 116.18 3ekj h LEU 295 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ekj h LEU 295 Cb 0.74 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ekj h LEU 295 CO 0.00 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.92 3ekj n GLY 296 N -0.73 -0.99 3.52 0.83 0.00 -1.16 -4.94 105.19 101.73 3ekj n GLY 296 Ca 0.03 -0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3ekj n GLY 296 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ekj n HIS 297 N -1.53 -2.31 -0.82 1.61 8.25 -0.77 -4.93 115.22 114.73 3ekj n HIS 297 Ca 0.03 0.81 0.08 0.00 -0.26 0.00 0.00 57.72 58.38 3ekj n HIS 297 Cb 0.17 -3.43 0.11 0.00 1.12 0.00 0.00 29.99 27.96 3ekj n HIS 297 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3ekj n LYS 298 N -2.85 1.70 -4.23 -0.41 5.02 -0.77 -5.02 118.16 111.61 3ekj n LYS 298 Ca -0.14 -2.33 -0.34 0.00 -2.02 0.00 0.00 58.31 53.48 3ekj n LYS 298 Cb 0.60 -1.38 -0.08 0.00 -0.02 0.00 0.00 35.03 34.14 3ekj n LYS 298 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3ekj s LEU 299 N -2.43 3.73 0.53 -0.35 1.43 -1.26 0.77 118.68 121.10 3ekj s LEU 299 Ca 0.24 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.26 3ekj s LEU 299 Cb 0.21 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3ekj s LEU 299 CO 0.02 0.32 1.35 -1.61 0.23 0.00 0.00 176.35 176.67 3ekj s GLU 300 N -1.32 3.25 -0.15 1.70 2.02 0.21 -4.85 118.70 119.56 3ekj s GLU 300 Ca 0.18 2.21 -0.12 0.00 0.02 0.00 0.00 54.97 57.26 3ekj s GLU 300 Cb -0.12 -2.31 -0.07 0.00 0.10 0.00 0.00 34.13 31.73 3ekj s GLU 300 CO 0.08 -1.09 -0.03 -0.92 0.02 0.00 0.00 175.26 173.32 3ekj h TYR 301 N 1.60 0.00 -2.89 1.61 3.20 -1.99 -3.45 116.97 115.05 3ekj h TYR 301 Ca -0.51 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.11 3ekj h TYR 301 Cb 1.29 0.00 0.11 0.00 1.54 0.00 0.00 36.73 39.67 3ekj h TYR 301 CO 0.47 0.40 0.17 0.09 -1.64 0.00 0.00 178.16 177.65 3ekj n ASN 302 N -4.59 -0.75 0.00 -2.11 3.02 -1.26 -4.81 115.26 104.75 3ekj n ASN 302 Ca -0.13 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3ekj n ASN 302 Cb 0.34 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 3ekj n ASN 302 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3ekj n THR 303 N -3.50 0.00 -0.53 3.41 -2.24 -1.26 -5.03 114.28 105.13 3ekj n THR 303 Ca 0.10 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 3ekj n THR 303 Cb 0.35 -0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 3ekj n THR 303 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ekj n ARG 304 N -1.36 -1.94 -0.61 -0.78 1.74 -1.26 -4.74 116.66 107.71 3ekj n ARG 304 Ca 0.00 0.26 -0.10 0.00 -0.77 0.00 0.00 57.85 57.24 3ekj n ARG 304 Cb 0.26 -3.76 0.04 0.00 -1.02 0.00 0.00 32.46 27.98 3ekj n ARG 304 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3ekj n ASP 305 N 1.02 4.73 -3.83 0.55 8.00 -1.26 -4.93 116.55 120.84 3ekj n ASP 305 Ca -0.01 -2.72 -0.13 0.00 0.71 0.00 0.00 54.79 52.65 3ekj n ASP 305 Cb 0.24 -0.85 -0.13 0.00 -0.02 0.00 0.00 41.12 40.36 3ekj n ASP 305 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ekj s GLN 306 N -1.23 0.09 1.02 -1.24 -0.21 -1.26 -5.07 119.66 111.76 3ekj s GLN 306 Ca 0.21 0.15 -0.12 0.00 0.02 0.00 0.00 55.36 55.62 3ekj s GLN 306 Cb 0.17 0.01 0.20 0.00 1.00 0.00 0.00 33.01 34.39 3ekj s GLN 306 CO 0.02 -0.04 1.08 -0.51 -2.12 0.00 0.00 175.29 173.72 3ekj s LEU 307 N 0.22 1.81 0.55 2.90 1.02 -1.26 -5.05 118.68 118.87 3ekj s LEU 307 Ca -0.01 1.72 0.03 0.00 0.02 0.00 0.00 54.13 55.88 3ekj s LEU 307 Cb -0.02 -3.90 0.04 0.00 0.02 0.00 0.00 46.19 42.33 3ekj s LEU 307 CO -0.01 -3.48 0.76 -0.89 0.02 0.00 0.00 176.35 172.76 3ekj s THR 308 N -2.64 2.64 0.08 5.49 2.01 -1.26 -4.91 115.64 117.06 3ekj s THR 308 Ca 0.67 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3ekj s THR 308 Cb -0.22 -2.91 -0.16 0.00 0.01 0.00 0.00 72.50 69.22 3ekj s THR 308 CO 0.61 0.00 1.64 -0.33 -0.69 0.00 0.00 174.62 175.85 3ekj h GLU 309 N 0.12 -0.67 0.00 4.92 5.08 -1.99 0.56 114.58 122.61 3ekj h GLU 309 Ca -0.40 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 3ekj h GLU 309 Cb 1.29 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.69 3ekj h GLU 309 CO 0.49 -0.45 0.00 1.49 -1.00 0.00 0.00 179.01 179.54 3ekj h GLU 310 N -0.70 0.00 0.12 2.33 4.81 -1.99 -0.42 114.58 118.73 3ekj h GLU 310 Ca -0.05 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3ekj h GLU 310 Cb 0.57 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.98 3ekj h GLU 310 CO 0.05 0.00 -0.86 0.37 -0.73 0.00 0.00 179.01 177.84 3ekj h GLN 311 N 0.00 0.38 -0.59 1.92 4.15 -1.85 -3.21 115.11 115.91 3ekj h GLN 311 Ca 0.00 -0.56 -0.04 0.00 0.77 0.00 0.00 58.65 58.81 3ekj h GLN 311 Cb 0.37 0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 3ekj h GLN 311 CO 0.00 1.24 0.19 0.82 -1.93 0.00 0.00 178.83 179.15 3ekj h ILE 312 N -0.20 1.24 -0.84 2.39 2.04 -0.06 -2.87 117.51 119.20 3ekj h ILE 312 Ca -0.14 -0.80 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3ekj h ILE 312 Cb 1.63 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 3ekj h ILE 312 CO 0.16 0.30 0.51 0.00 0.00 0.00 0.00 178.15 179.13 3ekj h ALA 313 N 1.06 1.17 -0.29 1.87 0.00 -1.23 0.27 119.26 122.11 3ekj h ALA 313 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ekj h ALA 313 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ekj h ALA 313 CO -0.01 0.23 0.18 0.93 0.00 0.00 0.00 179.25 180.58 3ekj h GLU 314 N 0.92 0.39 -0.34 0.00 5.08 -1.52 -0.33 114.58 118.77 3ekj h GLU 314 Ca 0.38 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 3ekj h GLU 314 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3ekj h GLU 314 CO -0.19 0.29 -0.07 0.74 -1.00 0.00 0.00 179.01 178.78 3ekj h PHE 315 N 0.37 0.60 -0.41 4.33 0.04 -1.21 0.16 116.94 120.83 3ekj h PHE 315 Ca 0.10 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 3ekj h PHE 315 Cb -0.00 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3ekj h PHE 315 CO -0.05 0.63 0.05 -0.22 -0.60 0.00 0.00 178.31 178.12 3ekj h LYS 316 N 0.53 0.68 -0.33 1.51 3.64 -0.61 0.36 116.57 122.36 3ekj h LYS 316 Ca 0.10 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 3ekj h LYS 316 Cb 0.44 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3ekj h LYS 316 CO 0.02 0.74 -0.42 1.49 -2.27 0.00 0.00 179.45 179.01 3ekj h GLU 317 N 0.53 0.82 0.52 1.90 4.57 -0.36 0.41 114.58 122.97 3ekj h GLU 317 Ca 0.12 -0.45 -0.03 0.00 -1.18 0.00 0.00 59.36 57.83 3ekj h GLU 317 Cb 0.40 0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.02 3ekj h GLU 317 CO 0.01 1.08 -0.25 0.00 -1.18 0.00 0.00 179.01 178.68 3ekj h ALA 318 N 0.85 -0.70 -0.36 2.92 0.00 -0.69 -2.87 119.26 118.41 3ekj h ALA 318 Ca 0.05 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ekj h ALA 318 Cb 1.00 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 3ekj h ALA 318 CO 0.10 -0.76 -0.18 0.35 0.00 0.00 0.00 179.25 178.75 3ekj h PHE 319 N -0.95 -0.45 0.00 0.00 3.57 -0.14 -1.49 116.94 117.48 3ekj h PHE 319 Ca -0.07 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3ekj h PHE 319 Cb 0.61 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3ekj h PHE 319 CO 0.00 -0.26 0.00 0.66 -2.23 0.00 0.00 178.31 176.49 3ekj h SER 320 N -0.12 0.00 -0.53 0.41 4.64 -1.00 -2.65 113.55 114.31 3ekj h SER 320 Ca 0.18 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3ekj h SER 320 Cb 0.40 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.40 3ekj h SER 320 CO -0.44 0.00 0.02 0.25 -0.87 0.00 0.00 176.83 175.80 3ekj h LEU 321 N 0.00 -0.18 -0.91 5.97 5.85 -1.03 -2.25 115.31 122.76 3ekj h LEU 321 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3ekj h LEU 321 Cb 0.70 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3ekj h LEU 321 CO 0.00 -0.06 0.00 0.49 -0.34 0.00 0.00 178.44 178.53 3ekj n PHE 322 N -5.22 0.14 -2.58 1.25 3.01 -1.01 -4.69 117.46 108.37 3ekj n PHE 322 Ca 0.06 -0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3ekj n PHE 322 Cb 0.29 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.74 3ekj n PHE 322 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3ekj s ASP 323 N -1.66 6.62 0.48 4.37 3.68 -0.85 -4.86 116.67 124.45 3ekj s ASP 323 Ca 0.33 -1.81 0.23 0.00 2.13 0.00 0.00 52.55 53.43 3ekj s ASP 323 Cb 0.18 -2.57 1.21 0.00 -1.45 0.00 0.00 42.92 40.28 3ekj s ASP 323 CO 0.27 -1.38 1.98 0.11 0.13 0.00 0.00 175.17 176.29 3ekj h LYS 324 N 9.01 0.00 -0.00 4.34 1.57 -1.83 -2.24 116.57 127.41 3ekj h LYS 324 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3ekj h LYS 324 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 3ekj h LYS 324 CO 1.43 0.19 -0.76 -0.25 -0.57 0.00 0.00 179.45 179.48 3ekj n ASP 325 N -3.72 0.99 0.00 0.86 8.00 -1.26 -4.96 116.55 116.46 3ekj n ASP 325 Ca -0.02 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.49 3ekj n ASP 325 Cb 0.30 0.92 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 3ekj n ASP 325 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ekj n GLY 326 N 1.39 0.41 0.32 0.44 0.00 -0.84 -4.89 105.19 102.02 3ekj n GLY 326 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 3ekj n GLY 326 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ekj h ASP 327 N 0.00 0.00 0.00 1.61 3.04 -1.93 -3.45 116.42 115.69 3ekj h ASP 327 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3ekj h ASP 327 Cb 0.25 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 3ekj h ASP 327 CO 0.00 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 3ekj n GLY 328 N -1.01 0.75 3.52 7.15 0.00 -1.26 -4.83 105.19 109.50 3ekj n GLY 328 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 3ekj n GLY 328 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ekj s GLY 329 N -0.81 1.73 -0.02 -0.02 0.00 -1.26 -3.60 107.32 103.33 3ekj s GLY 329 Ca 0.00 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.22 3ekj s GLY 329 CO 0.00 -1.59 -0.22 -0.26 0.00 0.00 0.00 173.10 171.02 3ekj s ILE 330 N -1.78 1.75 1.04 0.90 -4.36 -0.75 -4.57 121.20 113.43 3ekj s ILE 330 Ca 0.24 -0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 59.57 3ekj s ILE 330 Cb -0.08 -1.46 0.21 0.00 1.25 0.00 0.00 42.46 42.38 3ekj s ILE 330 CO 0.14 0.50 1.08 0.42 0.24 0.00 0.00 174.94 177.31 3ekj s THR 331 N -0.44 2.04 -0.08 8.37 -4.23 -1.26 0.32 115.64 120.36 3ekj s THR 331 Ca 0.06 0.01 -0.14 0.00 -1.18 0.00 0.00 61.69 60.44 3ekj s THR 331 Cb -0.09 -2.43 -0.29 0.00 1.34 0.00 0.00 72.50 71.03 3ekj s THR 331 CO -0.00 -0.02 0.62 0.74 -0.54 0.00 0.00 174.62 175.42 3ekj h THR 332 N -2.05 1.02 -0.84 3.99 2.02 -1.48 -2.91 112.91 112.66 3ekj h THR 332 Ca -0.56 -2.45 0.24 0.00 0.77 0.00 0.00 66.41 64.41 3ekj h THR 332 Cb 1.33 2.76 -0.16 0.00 -1.74 0.00 0.00 68.15 70.35 3ekj h THR 332 CO 0.56 0.77 0.05 0.29 0.37 0.00 0.00 175.52 177.56 3ekj n LYS 333 N -3.81 -0.07 0.28 6.66 5.02 -1.26 -1.15 118.16 123.83 3ekj n LYS 333 Ca -0.24 1.26 0.11 0.00 -2.02 0.00 0.00 58.31 57.42 3ekj n LYS 333 Cb 0.97 -2.02 0.77 0.00 -0.02 0.00 0.00 35.03 34.73 3ekj n LYS 333 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 3ekj h GLN 334 N 0.00 0.00 -0.94 1.97 4.15 -1.89 -3.28 115.11 115.12 3ekj h GLN 334 Ca 0.53 0.00 0.15 0.00 0.77 0.00 0.00 58.65 60.10 3ekj h GLN 334 Cb 1.13 0.00 -0.16 0.00 0.21 0.00 0.00 27.48 28.66 3ekj h GLN 334 CO -0.78 0.02 -0.36 1.25 -1.93 0.00 0.00 178.83 177.02 3ekj h LEU 335 N 0.00 -1.33 -1.13 -2.39 5.85 -1.19 -0.62 115.31 114.49 3ekj h LEU 335 Ca -0.00 0.30 0.04 0.00 0.84 0.00 0.00 57.88 59.06 3ekj h LEU 335 Cb 0.04 0.71 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 3ekj h LEU 335 CO 0.00 -0.29 0.59 1.23 -0.34 0.00 0.00 178.44 179.63 3ekj h GLY 336 N -0.02 1.30 0.99 3.75 0.00 -1.79 -0.30 103.07 107.01 3ekj h GLY 336 Ca 0.35 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3ekj h GLY 336 CO -0.95 0.36 -0.12 -0.84 0.00 0.00 0.00 176.54 174.99 3ekj h THR 337 N 1.10 0.76 -0.81 4.70 2.02 -1.35 -0.30 112.91 119.03 3ekj h THR 337 Ca 0.37 -0.02 0.15 0.00 0.77 0.00 0.00 66.41 67.68 3ekj h THR 337 Cb 0.07 0.77 -0.10 0.00 -1.74 0.00 0.00 68.15 67.15 3ekj h THR 337 CO -0.12 0.00 0.37 0.58 0.37 0.00 0.00 175.52 176.73 3ekj h VAL 338 N -0.34 0.66 -0.78 3.16 2.07 -1.25 -1.46 116.25 118.31 3ekj h VAL 338 Ca -0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3ekj h VAL 338 Cb 0.26 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3ekj h VAL 338 CO 0.06 0.09 0.44 0.24 0.02 0.00 0.00 177.57 178.42 3ekj h MET 339 N 0.52 1.08 -0.27 1.57 2.86 -0.31 -3.05 114.93 117.34 3ekj h MET 339 Ca 0.45 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.80 3ekj h MET 339 Cb 0.69 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 3ekj h MET 339 CO -0.40 0.79 -0.53 0.00 1.06 0.00 0.00 176.91 177.82 3ekj h ARG 340 N 1.08 0.78 0.00 1.72 3.08 -0.23 -2.61 114.38 118.20 3ekj h ARG 340 Ca 0.28 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.84 3ekj h ARG 340 Cb 0.01 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3ekj h ARG 340 CO -0.05 1.12 0.00 -1.13 -1.07 0.00 0.00 179.97 178.84 3ekj n SER 341 N -4.00 0.00 -1.05 7.04 3.41 -0.63 -0.40 113.62 117.99 3ekj n SER 341 Ca -0.04 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.11 3ekj n SER 341 Cb 0.61 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 64.31 3ekj n SER 341 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ekj n LEU 342 N -1.42 3.25 0.00 1.04 4.77 -1.00 -4.95 117.00 118.69 3ekj n LEU 342 Ca 0.00 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3ekj n LEU 342 Cb 0.01 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3ekj n LEU 342 CO 0.01 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3ekj n GLY 343 N 1.40 3.07 3.77 -0.72 0.00 0.47 -5.03 105.19 108.15 3ekj n GLY 343 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3ekj n GLY 343 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ekj s GLN 344 N -0.31 2.25 -0.36 1.61 -0.21 -1.15 -4.95 119.66 116.54 3ekj s GLN 344 Ca 0.00 1.12 0.02 0.00 0.02 0.00 0.00 55.36 56.53 3ekj s GLN 344 Cb 0.00 -1.90 0.15 0.00 1.00 0.00 0.00 33.01 32.26 3ekj s GLN 344 CO 0.00 -1.63 0.33 1.21 -2.12 0.00 0.00 175.29 173.08 3ekj s ASN 345 N -3.44 1.61 -0.00 5.90 2.47 -1.26 -3.54 114.94 116.68 3ekj s ASN 345 Ca 0.61 -1.66 -0.20 0.00 0.42 0.00 0.00 52.86 52.03 3ekj s ASN 345 Cb -0.17 0.34 -0.05 0.00 -1.45 0.00 0.00 41.25 39.92 3ekj s ASN 345 CO 0.56 -0.28 0.56 -2.16 -3.72 0.00 0.00 177.10 172.06 3ekj s PRO 346 N 1.41 4.26 0.62 0.43 0.04 -1.26 -5.06 135.00 135.45 3ekj s PRO 346 Ca 0.17 0.67 -0.18 0.00 0.04 0.00 0.00 61.00 61.70 3ekj s PRO 346 Cb -0.17 -3.32 -0.02 0.00 0.04 0.00 0.00 34.50 31.03 3ekj s PRO 346 CO -0.05 0.42 1.19 0.95 0.04 0.00 0.00 177.00 179.56 3ekj s THR 347 N -0.34 2.66 0.29 1.26 -4.23 -1.26 -4.76 115.64 109.27 3ekj s THR 347 Ca 0.29 0.38 0.37 0.00 -1.18 0.00 0.00 61.69 61.55 3ekj s THR 347 Cb -0.18 -3.07 0.38 0.00 1.34 0.00 0.00 72.50 70.97 3ekj s THR 347 CO 0.16 -0.12 2.11 -0.33 -0.54 0.00 0.00 174.62 175.90 3ekj h GLU 348 N 0.57 0.00 0.50 3.99 4.39 -1.98 0.32 114.58 122.37 3ekj h GLU 348 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.18 3ekj h GLU 348 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 3ekj h GLU 348 CO 0.54 0.00 -0.24 0.00 -1.16 0.00 0.00 179.01 178.15 3ekj h ALA 349 N 2.02 -0.67 -0.81 3.43 0.00 -2.00 -2.92 119.26 118.31 3ekj h ALA 349 Ca 0.00 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.89 3ekj h ALA 349 Cb 0.15 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3ekj h ALA 349 CO 0.00 -0.75 0.54 0.93 0.00 0.00 0.00 179.25 179.97 3ekj h GLU 350 N -0.93 0.39 -0.22 0.00 5.08 -1.16 -2.47 114.58 115.27 3ekj h GLU 350 Ca -0.07 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3ekj h GLU 350 Cb 0.60 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ekj h GLU 350 CO 0.11 0.26 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.15 3ekj h LEU 351 N 0.41 0.52 -1.58 1.33 3.38 -0.56 -3.26 115.31 115.54 3ekj h LEU 351 Ca 0.40 -0.45 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3ekj h LEU 351 Cb 0.97 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3ekj h LEU 351 CO -0.13 0.86 -0.22 1.56 0.09 0.00 0.00 178.44 180.60 3ekj h GLN 352 N 0.19 0.00 0.47 1.13 1.08 -1.25 -2.90 115.11 113.83 3ekj h GLN 352 Ca 0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3ekj h GLN 352 Cb 0.70 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 3ekj h GLN 352 CO 0.04 0.22 -0.23 -0.44 -0.95 0.00 0.00 178.83 177.48 3ekj h ASP 353 N 0.00 -0.54 -0.83 1.46 3.32 -1.59 -3.23 116.42 115.01 3ekj h ASP 353 Ca -0.00 0.02 0.20 0.00 0.02 0.00 0.00 57.03 57.27 3ekj h ASP 353 Cb 0.48 0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.02 3ekj h ASP 353 CO 0.03 -0.29 0.07 0.24 -1.72 0.00 0.00 179.24 177.57 3ekj h MET 354 N -0.83 0.12 -0.83 3.56 2.86 -1.58 0.65 114.93 118.89 3ekj h MET 354 Ca -0.07 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3ekj h MET 354 Cb 0.49 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.04 3ekj h MET 354 CO 0.11 0.08 0.44 0.82 1.06 0.00 0.00 176.91 179.42 3ekj h ILE 355 N 0.12 0.80 0.15 -1.22 2.04 -1.62 -2.97 117.51 114.82 3ekj h ILE 355 Ca 0.48 -0.23 -0.35 0.00 1.00 0.00 0.00 64.86 65.76 3ekj h ILE 355 Cb 0.91 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3ekj h ILE 355 CO -0.70 0.12 -1.79 0.78 0.00 0.00 0.00 178.15 176.56 3ekj h ASN 356 N 0.68 0.51 0.08 1.72 4.21 -0.91 0.27 115.58 122.15 3ekj h ASN 356 Ca 0.43 -0.85 0.01 0.00 1.21 0.00 0.00 56.30 57.10 3ekj h ASN 356 Cb 0.52 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 3ekj h ASN 356 CO -0.31 1.74 -0.14 -0.33 -1.29 0.00 0.00 177.43 177.09 3ekj h GLU 357 N 0.09 -0.27 -0.12 0.81 5.08 -1.42 -2.82 114.58 115.93 3ekj h GLU 357 Ca -0.35 0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 57.83 3ekj h GLU 357 Cb 2.07 0.06 0.01 0.00 0.50 0.00 0.00 28.75 31.39 3ekj h GLU 357 CO 0.15 -0.18 -0.70 0.28 -1.00 0.00 0.00 179.01 177.56 3ekj h VAL 358 N -0.28 1.31 -2.12 3.13 2.07 -1.66 -3.52 116.25 115.19 3ekj h VAL 358 Ca 0.02 -1.94 -0.10 0.00 0.82 0.00 0.00 66.70 65.49 3ekj h VAL 358 Cb 0.30 2.10 0.05 0.00 -1.52 0.00 0.00 31.29 32.22 3ekj h VAL 358 CO -0.08 0.60 0.05 0.61 0.02 0.00 0.00 177.57 178.78 3ekj n GLY 359 N 0.75 -2.17 0.22 2.17 0.00 0.95 -5.11 105.19 102.00 3ekj n GLY 359 Ca -0.08 -1.52 0.01 0.00 0.00 0.00 0.00 46.02 44.43 3ekj n GLY 359 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ekj h GLY 364 N -0.90 0.21 -4.68 -0.02 0.00 -1.99 -3.46 103.07 92.24 3ekj h GLY 364 Ca -0.11 -0.16 -0.57 0.00 0.00 0.00 0.00 47.33 46.50 3ekj h GLY 364 CO 0.07 0.15 -0.01 -1.08 0.00 0.00 0.00 176.54 175.66 3ekj s THR 365 N -4.44 4.76 -0.07 4.70 -1.32 -1.26 -1.09 115.64 116.91 3ekj s THR 365 Ca -0.05 1.26 0.04 0.00 -1.21 0.00 0.00 61.69 61.73 3ekj s THR 365 Cb 0.15 -3.92 -0.02 0.00 -1.51 0.00 0.00 72.50 67.20 3ekj s THR 365 CO 0.74 0.51 -0.19 -0.63 -2.21 0.00 0.00 174.62 172.85 3ekj s ILE 366 N -0.84 2.58 0.65 5.08 1.01 0.15 -4.95 121.20 124.87 3ekj s ILE 366 Ca 0.30 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 3ekj s ILE 366 Cb -0.19 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 3ekj s ILE 366 CO 0.19 0.56 1.03 -1.81 0.00 0.00 0.00 174.94 174.91 3ekj s ASP 367 N -0.18 5.72 0.08 3.58 1.01 -1.26 -1.81 116.67 123.81 3ekj s ASP 367 Ca -0.02 1.12 -0.18 0.00 0.71 0.00 0.00 52.55 54.18 3ekj s ASP 367 Cb -0.14 -2.05 -0.09 0.00 1.01 0.00 0.00 42.92 41.65 3ekj s ASP 367 CO 0.03 -1.12 1.45 0.15 0.21 0.00 0.00 175.17 175.89 3ekj h PHE 368 N -0.43 0.58 -0.71 4.23 3.57 -1.84 0.34 116.94 122.68 3ekj h PHE 368 Ca -0.45 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 60.95 3ekj h PHE 368 Cb 1.23 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 3ekj h PHE 368 CO 0.54 0.76 0.43 -1.35 -2.23 0.00 0.00 178.31 176.46 3ekj h PRO 369 N 0.23 0.80 0.60 6.41 0.11 -1.92 0.67 132.00 138.90 3ekj h PRO 369 Ca 0.06 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3ekj h PRO 369 Cb 0.60 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3ekj h PRO 369 CO 0.03 0.53 -0.41 1.96 -0.21 0.00 0.00 178.00 179.90 3ekj h GLN 370 N 0.82 -0.93 -0.79 1.05 4.20 -1.94 -0.65 115.11 116.87 3ekj h GLN 370 Ca 0.30 0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.25 3ekj h GLN 370 Cb 0.09 0.21 -0.12 0.00 0.30 0.00 0.00 27.48 27.96 3ekj h GLN 370 CO -0.14 -0.62 0.19 0.35 -0.67 0.00 0.00 178.83 177.94 3ekj h PHE 371 N -0.97 0.29 -0.87 2.96 3.57 -0.59 0.70 116.94 122.02 3ekj h PHE 371 Ca -0.07 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.52 3ekj h PHE 371 Cb 0.80 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 3ekj h PHE 371 CO -0.13 -0.13 0.57 1.25 -2.23 0.00 0.00 178.31 177.65 3ekj h LEU 372 N 0.25 0.91 -0.02 0.59 5.85 0.96 -0.32 115.31 123.53 3ekj h LEU 372 Ca 0.46 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.13 3ekj h LEU 372 Cb 0.83 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3ekj h LEU 372 CO -0.56 0.61 -0.14 0.74 -0.34 0.00 0.00 178.44 178.75 3ekj h THR 373 N 1.05 1.51 -0.99 1.05 2.02 0.18 0.06 112.91 117.80 3ekj h THR 373 Ca 0.36 -1.71 0.12 0.00 0.77 0.00 0.00 66.41 65.95 3ekj h THR 373 Cb 0.09 2.58 -0.14 0.00 -1.74 0.00 0.00 68.15 68.94 3ekj h THR 373 CO -0.12 0.46 -0.50 0.24 0.37 0.00 0.00 175.52 175.97 3ekj h MET 374 N -0.50 -0.01 -0.33 6.66 2.86 -0.46 0.65 114.93 123.80 3ekj h MET 374 Ca -0.01 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.65 3ekj h MET 374 Cb 0.83 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 3ekj h MET 374 CO 0.03 -0.00 0.19 0.52 1.06 0.00 0.00 176.91 178.70 3ekj h MET 375 N -0.01 0.37 -0.22 1.72 2.07 -0.95 -3.14 114.93 114.77 3ekj h MET 375 Ca 0.24 -0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.90 3ekj h MET 375 Cb 0.49 -0.08 -0.07 0.00 -1.87 0.00 0.00 31.60 30.06 3ekj h MET 375 CO -0.95 0.25 -0.40 0.00 1.07 0.00 0.00 176.91 176.87 3ekj h ALA 376 N 1.16 -0.48 -0.86 6.32 0.00 0.12 -0.75 119.26 124.76 3ekj h ALA 376 Ca 0.13 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3ekj h ALA 376 Cb 0.02 0.77 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 3ekj h ALA 376 CO -0.07 -0.87 -0.44 0.00 0.00 0.00 0.00 179.25 177.86 3ekj h ARG 377 N -0.42 -0.07 -0.22 0.00 3.08 -1.28 -2.61 114.38 112.87 3ekj h ARG 377 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3ekj h ARG 377 Cb 0.60 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3ekj h ARG 377 CO -0.44 -0.05 0.00 1.63 -1.07 0.00 0.00 179.97 180.04 3ekj n LYS 378 N -5.40 0.48 0.00 0.04 4.76 -0.29 -5.16 118.16 112.59 3ekj n LYS 378 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 3ekj n LYS 378 Cb 0.35 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 32.43 3ekj n LYS 378 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70