#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du8 s LYS 36 N 0.00 4.32 -0.13 4.33 2.20 -1.26 -5.01 119.74 124.19 3du8 s LYS 36 Ca 0.00 1.76 -0.06 0.00 -0.36 0.00 0.00 55.97 57.30 3du8 s LYS 36 Cb 0.00 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.70 3du8 s LYS 36 CO 0.00 -0.50 0.11 0.08 -0.36 0.00 0.00 175.35 174.68 3du8 s VAL 37 N 2.36 5.22 -0.19 4.02 1.01 -1.26 -4.21 120.40 127.36 3du8 s VAL 37 Ca 0.58 0.10 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 3du8 s VAL 37 Cb -0.26 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3du8 s VAL 37 CO 0.23 0.59 -0.03 -0.89 0.00 0.00 0.00 175.10 174.99 3du8 s THR 38 N -0.74 3.72 -0.17 3.92 2.01 -0.05 -4.98 115.64 119.34 3du8 s THR 38 Ca 0.13 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 61.71 3du8 s THR 38 Cb -0.12 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3du8 s THR 38 CO 0.03 0.45 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.42 3du8 s THR 39 N 0.87 3.12 0.18 -0.82 2.01 -1.26 -1.06 115.64 118.68 3du8 s THR 39 Ca -0.00 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.45 3du8 s THR 39 Cb -0.14 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 3du8 s THR 39 CO 0.02 0.49 -0.12 0.68 -0.69 0.00 0.00 174.62 174.99 3du8 s VAL 40 N 0.84 1.45 -0.43 3.82 -7.23 -0.26 -4.95 120.40 113.64 3du8 s VAL 40 Ca -0.03 -2.14 -0.14 0.00 -1.81 0.00 0.00 61.98 57.86 3du8 s VAL 40 Cb -0.15 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3du8 s VAL 40 CO 0.01 -0.67 0.32 -0.69 -0.31 0.00 0.00 175.10 173.75 3du8 s VAL 41 N -3.15 5.02 0.08 1.32 1.01 -1.26 0.11 120.40 123.53 3du8 s VAL 41 Ca 0.20 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.32 3du8 s VAL 41 Cb 0.01 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3du8 s VAL 41 CO 0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 175.10 174.58 3du8 s ALA 42 N 1.62 2.81 -0.28 5.51 0.00 0.09 -4.84 121.76 126.67 3du8 s ALA 42 Ca 0.04 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 3du8 s ALA 42 Cb -0.21 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 3du8 s ALA 42 CO 0.07 0.61 0.24 0.99 0.00 0.00 0.00 175.76 177.67 3du8 s THR 43 N -1.10 5.28 0.26 0.00 2.01 0.02 -1.25 115.64 120.86 3du8 s THR 43 Ca 0.18 0.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 3du8 s THR 43 Cb -0.11 -3.57 -0.15 0.00 0.01 0.00 0.00 72.50 68.68 3du8 s THR 43 CO 0.10 0.23 0.91 -2.65 -0.69 0.00 0.00 174.62 172.52 3du8 n PRO 44 N 5.12 1.02 -0.05 4.92 -0.02 -1.26 -1.65 135.00 143.07 3du8 n PRO 44 Ca -0.13 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.63 3du8 n PRO 44 Cb 0.52 -1.65 0.09 0.00 -0.02 0.00 0.00 33.50 32.43 3du8 n PRO 44 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3du8 h GLY 45 N 1.90 0.75 -0.65 -1.23 0.00 -1.32 -3.46 103.07 99.06 3du8 h GLY 45 Ca -0.37 -0.69 -0.39 0.00 0.00 0.00 0.00 47.33 45.88 3du8 h GLY 45 CO 0.61 0.63 -0.17 0.61 0.00 0.00 0.00 176.54 178.21 3du8 n GLN 46 N -4.07 0.92 0.00 4.80 0.00 -1.26 -4.50 117.38 113.27 3du8 n GLN 46 Ca -0.01 -2.31 0.00 0.00 0.00 0.00 0.00 57.00 54.68 3du8 n GLN 46 Cb 0.48 0.21 0.00 0.00 0.00 0.00 0.00 30.24 30.93 3du8 n GLN 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3du8 n GLY 47 N 0.47 1.59 3.74 2.61 0.00 -1.26 -4.78 105.19 107.56 3du8 n GLY 47 Ca -0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3du8 n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3du8 s PRO 48 N 0.00 4.67 -1.11 1.61 0.04 -1.26 -4.91 135.00 134.03 3du8 s PRO 48 Ca 0.00 1.62 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 3du8 s PRO 48 Cb 0.00 -3.29 -0.15 0.00 0.04 0.00 0.00 34.50 31.10 3du8 s PRO 48 CO 0.00 0.20 2.03 0.34 0.04 0.00 0.00 177.00 179.61 3du8 s ASP 49 N -0.34 4.30 -0.44 6.66 -1.08 -1.26 -4.81 116.67 119.71 3du8 s ASP 49 Ca 0.47 -1.25 0.02 0.00 -0.52 0.00 0.00 52.55 51.27 3du8 s ASP 49 Cb -0.28 -2.59 0.15 0.00 -1.46 0.00 0.00 42.92 38.74 3du8 s ASP 49 CO 0.34 -3.82 0.29 -0.13 0.52 0.00 0.00 175.17 172.36 3du8 s ARG 50 N 7.44 1.11 0.48 4.34 1.81 -1.26 -5.08 118.95 127.79 3du8 s ARG 50 Ca 0.75 -2.00 -0.23 0.00 -1.72 0.00 0.00 55.73 52.54 3du8 s ARG 50 Cb -0.03 -1.93 -0.09 0.00 -0.45 0.00 0.00 34.95 32.45 3du8 s ARG 50 CO 0.14 -1.25 1.03 -2.30 -0.68 0.00 0.00 175.30 172.25 3du8 n PRO 51 N 3.32 1.30 -4.12 3.54 -0.02 -1.26 -4.49 135.00 133.28 3du8 n PRO 51 Ca 0.16 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 62.01 3du8 n PRO 51 Cb 0.39 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3du8 n PRO 51 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3du8 s GLN 52 N -2.28 0.69 0.02 -0.52 -2.07 -0.38 -4.93 119.66 110.20 3du8 s GLN 52 Ca 0.67 -1.12 -0.30 0.00 -1.82 0.00 0.00 55.36 52.78 3du8 s GLN 52 Cb -0.50 -0.15 -0.04 0.00 -1.09 0.00 0.00 33.01 31.23 3du8 s GLN 52 CO 0.54 -0.02 1.04 -2.00 -1.32 0.00 0.00 175.29 173.54 3du8 s GLU 53 N -3.12 4.53 -0.08 9.60 2.12 -1.26 -0.74 118.70 129.75 3du8 s GLU 53 Ca 0.04 1.52 0.02 0.00 0.36 0.00 0.00 54.97 56.91 3du8 s GLU 53 Cb 0.01 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.99 3du8 s GLU 53 CO -0.04 -0.10 -0.12 0.08 -0.54 0.00 0.00 175.26 174.54 3du8 s VAL 54 N 0.98 1.18 -0.11 3.70 1.01 0.12 -4.94 120.40 122.34 3du8 s VAL 54 Ca 0.54 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 3du8 s VAL 54 Cb -0.24 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3du8 s VAL 54 CO 0.28 0.37 -0.02 -0.44 0.00 0.00 0.00 175.10 175.30 3du8 s SER 55 N 0.96 5.03 0.07 3.32 0.01 -1.26 -1.10 113.70 120.73 3du8 s SER 55 Ca -0.09 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.12 3du8 s SER 55 Cb -0.15 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 3du8 s SER 55 CO 0.00 0.29 0.14 -0.72 0.41 0.00 0.00 173.24 173.36 3du8 s TYR 56 N -0.35 0.21 0.31 2.43 -0.85 -0.22 -1.85 117.35 117.02 3du8 s TYR 56 Ca 0.06 -0.61 -0.03 0.00 -0.52 0.00 0.00 57.07 55.98 3du8 s TYR 56 Cb -0.12 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.08 3du8 s TYR 56 CO 0.02 -0.47 0.40 -0.08 -1.52 0.00 0.00 175.55 173.89 3du8 s THR 57 N -3.51 0.00 -1.00 -3.49 -1.32 0.68 -0.87 115.64 106.13 3du8 s THR 57 Ca 0.02 -1.68 -0.06 0.00 -1.21 0.00 0.00 61.69 58.76 3du8 s THR 57 Cb 0.04 -2.53 0.01 0.00 -1.51 0.00 0.00 72.50 68.50 3du8 s THR 57 CO -0.09 0.00 0.78 0.47 -2.21 0.00 0.00 174.62 173.57 3du8 n ASP 58 N -1.10 -5.11 -4.70 8.08 8.00 -1.26 0.14 116.55 120.61 3du8 n ASP 58 Ca 0.02 -0.36 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 3du8 n ASP 58 Cb 0.62 -3.74 -0.03 0.00 -0.02 0.00 0.00 41.12 37.95 3du8 n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3du8 s THR 59 N -3.19 4.12 -0.03 -3.53 2.01 -1.25 -4.38 115.64 109.38 3du8 s THR 59 Ca 0.39 1.49 -0.15 0.00 0.31 0.00 0.00 61.69 63.73 3du8 s THR 59 Cb -0.17 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.41 3du8 s THR 59 CO 0.48 0.05 0.33 -1.59 -0.69 0.00 0.00 174.62 173.20 3du8 s LYS 60 N 1.73 0.65 0.24 4.92 -2.85 -0.45 -4.97 119.74 119.01 3du8 s LYS 60 Ca 0.58 -0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 55.18 3du8 s LYS 60 Cb -0.27 0.29 -0.09 0.00 -2.06 0.00 0.00 37.83 35.70 3du8 s LYS 60 CO 0.26 -0.17 1.14 0.08 0.10 0.00 0.00 175.35 176.76 3du8 s VAL 61 N -1.09 3.49 0.00 1.79 1.01 -1.26 -0.13 120.40 124.21 3du8 s VAL 61 Ca -0.11 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3du8 s VAL 61 Cb -0.05 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3du8 s VAL 61 CO 0.04 0.29 0.07 2.30 0.00 0.00 0.00 175.10 177.80 3du8 n ILE 62 N 1.67 0.00 -3.50 2.22 -5.35 0.67 -4.85 119.36 110.22 3du8 n ILE 62 Ca 0.01 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.15 3du8 n ILE 62 Cb 0.45 1.15 -0.03 0.00 -1.74 0.00 0.00 39.64 39.47 3du8 n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3du8 s GLY 63 N -0.33 -0.47 0.00 3.28 0.00 -1.07 -4.98 107.32 103.74 3du8 s GLY 63 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.85 3du8 s GLY 63 CO 0.00 0.50 0.40 -2.01 0.00 0.00 0.00 173.10 171.99 3du8 n ASN 64 N 0.04 0.00 -2.37 1.64 2.85 -1.26 -1.97 115.26 114.19 3du8 n ASN 64 Ca -0.12 -1.07 0.00 0.00 -0.11 0.00 0.00 54.58 53.28 3du8 n ASN 64 Cb 0.61 -0.01 0.00 0.00 1.24 0.00 0.00 39.78 41.62 3du8 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3du8 n GLY 65 N 0.00 -2.13 0.35 8.20 0.00 -1.25 -4.75 105.19 105.62 3du8 n GLY 65 Ca 0.00 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.14 3du8 n GLY 65 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3du8 h SER 66 N 0.00 -0.72 -1.71 1.61 0.02 -2.04 -3.25 113.55 107.46 3du8 h SER 66 Ca 0.00 0.03 0.53 0.00 -0.84 0.00 0.00 61.79 61.50 3du8 h SER 66 Cb 0.00 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 62.62 3du8 h SER 66 CO 0.00 -0.51 1.18 2.19 -1.14 0.00 0.00 176.83 178.55 3du8 h PHE 67 N -0.85 0.22 0.00 3.45 -5.15 -1.97 -3.48 116.94 109.16 3du8 h PHE 67 Ca -0.09 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.69 3du8 h PHE 67 Cb 0.65 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 36.77 3du8 h PHE 67 CO -0.03 -0.11 0.00 0.41 -2.00 0.00 0.00 178.31 176.57 3du8 n GLY 68 N -1.75 0.35 3.35 6.09 0.00 -1.23 -4.43 105.19 107.57 3du8 n GLY 68 Ca 0.42 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 3du8 n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3du8 s VAL 69 N -2.78 2.08 -0.17 1.61 1.01 -0.90 -3.77 120.40 117.48 3du8 s VAL 69 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 61.98 60.32 3du8 s VAL 69 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3du8 s VAL 69 CO 0.00 0.07 -0.16 -0.69 0.00 0.00 0.00 175.10 174.32 3du8 s VAL 70 N -1.07 2.53 0.19 2.92 1.01 -0.83 -1.06 120.40 124.08 3du8 s VAL 70 Ca 0.12 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.34 3du8 s VAL 70 Cb -0.10 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3du8 s VAL 70 CO 0.05 0.51 0.17 -0.31 0.00 0.00 0.00 175.10 175.52 3du8 s TYR 71 N 1.00 3.17 0.04 5.22 1.51 -0.71 -0.24 117.35 127.34 3du8 s TYR 71 Ca -0.02 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 3du8 s TYR 71 Cb -0.15 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3du8 s TYR 71 CO -0.04 0.52 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.76 3du8 s GLN 72 N -3.31 2.60 0.27 -0.62 0.74 0.81 -0.67 119.66 119.49 3du8 s GLN 72 Ca 0.32 -0.74 -0.13 0.00 0.05 0.00 0.00 55.36 54.86 3du8 s GLN 72 Cb -0.10 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.46 3du8 s GLN 72 CO 0.24 0.58 0.52 0.00 -0.55 0.00 0.00 175.29 176.08 3du8 s ALA 73 N -1.14 -0.25 -0.08 1.58 0.00 -0.22 -1.35 121.76 120.30 3du8 s ALA 73 Ca 0.21 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.30 3du8 s ALA 73 Cb -0.11 1.04 0.01 0.00 0.00 0.00 0.00 23.12 24.05 3du8 s ALA 73 CO 0.12 -0.87 -0.15 0.21 0.00 0.00 0.00 175.76 175.07 3du8 s LYS 74 N -3.80 2.04 -0.18 0.00 2.20 0.12 -1.15 119.74 118.97 3du8 s LYS 74 Ca 0.22 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 55.01 3du8 s LYS 74 Cb -0.01 -1.64 -0.01 0.00 -1.51 0.00 0.00 37.83 34.66 3du8 s LYS 74 CO 0.10 0.06 1.14 -0.51 -0.36 0.00 0.00 175.35 175.78 3du8 s LEU 75 N 0.61 4.16 0.30 5.43 1.43 0.30 -0.23 118.68 130.69 3du8 s LEU 75 Ca -0.15 1.56 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 3du8 s LEU 75 Cb -0.16 -3.54 0.78 0.00 0.03 0.00 0.00 46.19 43.30 3du8 s LEU 75 CO 0.05 -0.68 1.73 0.00 0.23 0.00 0.00 176.35 177.67 3du8 h ASP 77 N 0.55 0.62 -0.00 0.00 3.32 -1.92 -3.36 116.42 115.63 3du8 h ASP 77 Ca 0.59 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3du8 h ASP 77 Cb 1.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3du8 h ASP 77 CO -0.47 0.93 -0.20 -1.54 -1.72 0.00 0.00 179.24 176.24 3du8 n SER 78 N -4.39 0.59 0.00 6.45 3.41 -1.10 -4.98 113.62 113.60 3du8 n SER 78 Ca -0.04 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.77 3du8 n SER 78 Cb 0.40 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 3du8 n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3du8 n GLY 79 N 0.94 0.33 3.76 5.00 0.00 0.13 -4.97 105.19 110.37 3du8 n GLY 79 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3du8 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3du8 s GLU 80 N -0.75 4.31 0.03 1.61 2.02 -1.25 -4.63 118.70 120.05 3du8 s GLU 80 Ca 0.00 2.26 -0.22 0.00 0.02 0.00 0.00 54.97 57.03 3du8 s GLU 80 Cb 0.00 -3.09 -0.06 0.00 0.10 0.00 0.00 34.13 31.09 3du8 s GLU 80 CO 0.00 -0.30 0.66 -0.51 0.02 0.00 0.00 175.26 175.13 3du8 s LEU 81 N -1.19 4.45 0.13 1.80 1.43 -1.26 -0.53 118.68 123.50 3du8 s LEU 81 Ca 0.53 1.29 0.05 0.00 -1.03 0.00 0.00 54.13 54.98 3du8 s LEU 81 Cb -0.41 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 3du8 s LEU 81 CO 0.49 0.10 -0.12 0.68 0.23 0.00 0.00 176.35 177.73 3du8 s VAL 82 N -0.31 1.19 -0.10 -1.59 -7.23 -0.30 -2.43 120.40 109.63 3du8 s VAL 82 Ca 0.33 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.64 3du8 s VAL 82 Cb -0.19 -1.62 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3du8 s VAL 82 CO 0.20 -0.58 -0.04 0.00 -0.31 0.00 0.00 175.10 174.37 3du8 s ALA 83 N -2.68 3.06 -0.36 1.32 0.00 0.09 -1.06 121.76 122.13 3du8 s ALA 83 Ca 0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 3du8 s ALA 83 Cb -0.02 -1.41 0.07 0.00 0.00 0.00 0.00 23.12 21.77 3du8 s ALA 83 CO 0.02 0.45 0.13 0.42 0.00 0.00 0.00 175.76 176.77 3du8 s ILE 84 N -0.41 3.48 -0.46 0.00 1.01 0.16 0.10 121.20 125.07 3du8 s ILE 84 Ca 0.07 -1.51 -0.25 0.00 0.00 0.00 0.00 60.65 58.96 3du8 s ILE 84 Cb -0.12 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.25 3du8 s ILE 84 CO 0.02 -0.35 0.88 -0.75 0.00 0.00 0.00 174.94 174.74 3du8 s LYS 85 N 1.29 3.47 -0.28 2.79 2.20 0.25 -1.74 119.74 127.72 3du8 s LYS 85 Ca 0.01 0.04 -0.10 0.00 -0.36 0.00 0.00 55.97 55.56 3du8 s LYS 85 Cb -0.21 -3.94 -0.03 0.00 -1.51 0.00 0.00 37.83 32.13 3du8 s LYS 85 CO -0.00 -1.21 0.16 0.21 -0.36 0.00 0.00 175.35 174.14 3du8 s LYS 86 N 3.62 3.72 0.03 4.03 2.20 -0.23 -0.26 119.74 132.85 3du8 s LYS 86 Ca 0.34 -0.46 0.04 0.00 -0.36 0.00 0.00 55.97 55.53 3du8 s LYS 86 Cb -0.11 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 3du8 s LYS 86 CO 0.25 -0.25 -0.13 0.08 -0.36 0.00 0.00 175.35 174.93 3du8 s VAL 87 N 1.69 1.05 0.16 4.02 1.01 0.25 -2.13 120.40 126.46 3du8 s VAL 87 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 3du8 s VAL 87 Cb -0.16 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.19 3du8 s VAL 87 CO 0.08 0.04 1.31 -0.22 0.00 0.00 0.00 175.10 176.32 3du8 s LEU 88 N -0.98 4.40 -0.32 3.92 2.96 -1.26 -0.70 118.68 126.70 3du8 s LEU 88 Ca 0.02 2.33 -0.12 0.00 -0.22 0.00 0.00 54.13 56.14 3du8 s LEU 88 Cb -0.07 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 3du8 s LEU 88 CO 0.01 -0.55 0.23 -1.58 -1.32 0.00 0.00 176.35 173.14 3du8 s GLN 89 N 0.32 3.61 0.32 1.98 2.00 -0.49 -4.79 119.66 122.61 3du8 s GLN 89 Ca 0.59 -0.56 -0.29 0.00 -2.00 0.00 0.00 55.36 53.10 3du8 s GLN 89 Cb -0.36 -3.76 -0.12 0.00 0.80 0.00 0.00 33.01 29.57 3du8 s GLN 89 CO 0.35 -0.38 1.37 -3.47 -0.50 0.00 0.00 175.29 172.67 3du8 n ASP 90 N 5.09 3.04 -0.03 6.67 4.64 -1.26 -4.88 116.55 129.83 3du8 n ASP 90 Ca -0.13 1.19 -0.17 0.00 -1.38 0.00 0.00 54.79 54.31 3du8 n ASP 90 Cb 0.50 -1.51 -0.08 0.00 -1.04 0.00 0.00 41.12 39.00 3du8 n ASP 90 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3du8 h LYS 91 N 3.15 0.67 0.44 -0.67 1.79 -1.97 -3.34 116.57 116.64 3du8 h LYS 91 Ca -0.47 -0.55 -0.02 0.00 -2.18 0.00 0.00 60.65 57.43 3du8 h LYS 91 Cb 1.27 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 3du8 h LYS 91 CO 0.67 1.16 -0.21 0.00 -1.08 0.00 0.00 179.45 179.99 3du8 h ARG 92 N 0.35 -0.57 -6.78 3.15 2.47 -2.06 -3.48 114.38 107.47 3du8 h ARG 92 Ca -0.04 0.04 -0.44 0.00 -1.26 0.00 0.00 59.98 58.27 3du8 h ARG 92 Cb 1.29 0.13 0.04 0.00 -1.65 0.00 0.00 29.97 29.77 3du8 h ARG 92 CO 0.13 -0.38 -0.06 -0.06 0.56 0.00 0.00 179.97 180.16 3du8 s PHE 93 N -4.25 2.97 0.08 3.04 0.40 -1.26 -5.08 117.98 113.89 3du8 s PHE 93 Ca -0.09 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.04 3du8 s PHE 93 Cb 0.01 -2.60 -0.06 0.00 0.51 0.00 0.00 43.02 40.87 3du8 s PHE 93 CO 0.26 -0.70 0.76 0.21 0.70 0.00 0.00 175.22 176.45 3du8 s LYS 94 N -4.68 4.51 -0.19 0.44 2.47 -1.26 -4.75 119.74 116.27 3du8 s LYS 94 Ca 0.54 1.08 -0.29 0.00 -1.56 0.00 0.00 55.97 55.75 3du8 s LYS 94 Cb -0.10 -3.33 -0.04 0.00 -1.46 0.00 0.00 37.83 32.90 3du8 s LYS 94 CO 0.38 0.39 1.75 1.21 0.16 0.00 0.00 175.35 179.24 3du8 s ASN 95 N -0.45 6.25 0.19 1.43 3.84 -1.26 -4.91 114.94 120.03 3du8 s ASN 95 Ca 0.37 1.79 -0.08 0.00 0.21 0.00 0.00 52.86 55.15 3du8 s ASN 95 Cb -0.21 -2.53 0.10 0.00 -0.55 0.00 0.00 41.25 38.06 3du8 s ASN 95 CO 0.24 -1.34 1.64 -0.09 -2.79 0.00 0.00 177.10 174.76 3du8 h ARG 96 N 11.36 1.03 -0.28 0.43 2.43 -1.97 -2.25 114.38 125.13 3du8 h ARG 96 Ca -0.37 -0.34 0.04 0.00 -0.81 0.00 0.00 59.98 58.50 3du8 h ARG 96 Cb 1.18 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 3du8 h ARG 96 CO 0.99 1.03 0.07 1.49 -1.51 0.00 0.00 179.97 182.03 3du8 h GLU 97 N 0.93 0.17 -0.20 0.20 4.81 -1.89 -1.57 114.58 117.04 3du8 h GLU 97 Ca 0.16 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 3du8 h GLU 97 Cb 0.59 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3du8 h GLU 97 CO 0.04 0.11 0.02 1.25 -0.73 0.00 0.00 179.01 179.70 3du8 h LEU 98 N 0.18 -0.03 -1.17 1.64 5.85 -1.88 -1.52 115.31 118.38 3du8 h LEU 98 Ca 0.13 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 3du8 h LEU 98 Cb 0.12 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3du8 h LEU 98 CO -0.16 0.01 -0.09 1.56 -0.34 0.00 0.00 178.44 179.43 3du8 h GLN 99 N 0.09 0.47 -0.25 1.25 1.08 -1.12 -1.82 115.11 114.82 3du8 h GLN 99 Ca 0.09 -0.12 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 3du8 h GLN 99 Cb 0.10 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3du8 h GLN 99 CO -0.14 0.57 -0.27 0.82 -0.95 0.00 0.00 178.83 178.86 3du8 h ILE 100 N 0.44 1.31 0.00 2.54 2.04 -1.15 -3.26 117.51 119.43 3du8 h ILE 100 Ca 0.09 -1.45 -0.06 0.00 1.00 0.00 0.00 64.86 64.44 3du8 h ILE 100 Cb 0.43 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3du8 h ILE 100 CO 0.02 0.45 -0.28 0.24 0.00 0.00 0.00 178.15 178.59 3du8 h MET 101 N 0.33 0.00 0.00 2.37 2.86 -0.77 -2.50 114.93 117.23 3du8 h MET 101 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3du8 h MET 101 Cb 0.84 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3du8 h MET 101 CO 0.07 0.28 -0.26 0.00 1.06 0.00 0.00 176.91 178.06 3du8 h ARG 102 N 0.00 0.00 -0.00 1.72 3.08 -1.39 -2.99 114.38 114.79 3du8 h ARG 102 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3du8 h ARG 102 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3du8 h ARG 102 CO 0.04 0.26 -0.21 1.63 -1.07 0.00 0.00 179.97 180.61 3du8 n LYS 103 N -3.83 0.27 -4.06 0.04 5.02 -0.94 -4.61 118.16 110.04 3du8 n LYS 103 Ca -0.02 -0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 3du8 n LYS 103 Cb 0.35 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.77 3du8 n LYS 103 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3du8 s LEU 104 N -2.80 3.85 -0.33 -0.35 1.43 -1.13 -5.04 118.68 114.30 3du8 s LEU 104 Ca 0.18 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3du8 s LEU 104 Cb 0.19 -1.95 0.16 0.00 0.03 0.00 0.00 46.19 44.62 3du8 s LEU 104 CO 0.57 0.24 0.41 -0.62 0.23 0.00 0.00 176.35 177.18 3du8 s ASP 105 N -0.06 0.61 -0.20 2.29 2.15 -1.26 -4.89 116.67 115.31 3du8 s ASP 105 Ca 0.06 -0.91 -0.18 0.00 0.43 0.00 0.00 52.55 51.95 3du8 s ASP 105 Cb -0.12 0.93 0.05 0.00 -0.30 0.00 0.00 42.92 43.48 3du8 s ASP 105 CO 0.01 -0.30 0.53 -2.28 -0.17 0.00 0.00 175.17 172.95 3du8 s HIS 106 N 2.04 -0.58 0.59 -5.34 2.46 -1.26 -5.06 115.29 108.14 3du8 s HIS 106 Ca 0.13 1.42 0.37 0.00 0.47 0.00 0.00 55.06 57.45 3du8 s HIS 106 Cb -0.13 0.20 2.09 0.00 -0.13 0.00 0.00 32.58 34.61 3du8 s HIS 106 CO -0.18 -0.28 2.29 0.00 -2.47 0.00 0.00 174.74 174.10 3du8 n ASN 108 N -3.41 3.87 -3.98 0.00 3.02 -1.26 -4.78 115.26 108.72 3du8 n ASN 108 Ca -0.03 -3.34 -0.20 0.00 -0.03 0.00 0.00 54.58 50.98 3du8 n ASN 108 Cb 0.10 -0.67 -0.16 0.00 -0.61 0.00 0.00 39.78 38.45 3du8 n ASN 108 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3du8 s ILE 109 N -3.04 0.73 0.51 2.41 1.01 -1.03 -0.66 121.20 121.13 3du8 s ILE 109 Ca 0.49 -0.32 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 3du8 s ILE 109 Cb 0.41 -0.66 -0.06 0.00 0.01 0.00 0.00 42.46 42.16 3du8 s ILE 109 CO 0.08 0.24 1.39 0.68 0.00 0.00 0.00 174.94 177.33 3du8 s VAL 110 N 0.29 2.05 -0.14 2.92 -7.23 -0.44 -4.70 120.40 113.15 3du8 s VAL 110 Ca -0.04 0.04 -0.17 0.00 -1.81 0.00 0.00 61.98 59.99 3du8 s VAL 110 Cb -0.09 -3.02 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 3du8 s VAL 110 CO 0.00 0.00 0.44 -0.60 -0.31 0.00 0.00 175.10 174.64 3du8 s ARG 111 N -2.74 4.29 -0.63 4.82 3.52 -1.26 -4.94 118.95 122.00 3du8 s ARG 111 Ca 0.68 0.36 -0.27 0.00 -0.13 0.00 0.00 55.73 56.36 3du8 s ARG 111 Cb -0.42 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.51 3du8 s ARG 111 CO 0.51 0.11 1.60 -1.17 -0.81 0.00 0.00 175.30 175.55 3du8 s LEU 112 N 0.80 3.27 -0.09 -0.88 2.96 -1.26 -1.81 118.68 121.68 3du8 s LEU 112 Ca 0.23 0.11 -0.26 0.00 -0.22 0.00 0.00 54.13 54.00 3du8 s LEU 112 Cb -0.15 -2.66 -0.22 0.00 0.50 0.00 0.00 46.19 43.66 3du8 s LEU 112 CO 0.09 -2.08 0.90 0.03 -1.32 0.00 0.00 176.35 173.97 3du8 h ARG 113 N 12.71 -0.02 -3.92 1.98 3.08 -0.29 -3.32 114.38 124.60 3du8 h ARG 113 Ca -0.27 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.67 3du8 h ARG 113 Cb 1.12 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 3du8 h ARG 113 CO 1.22 0.73 -0.32 0.71 -1.07 0.00 0.00 179.97 181.25 3du8 s TYR 114 N -2.93 0.47 0.05 3.04 1.51 -0.97 -1.37 117.35 117.15 3du8 s TYR 114 Ca -0.17 -0.82 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 3du8 s TYR 114 Cb -0.01 -0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.75 3du8 s TYR 114 CO 0.64 -0.76 0.04 -0.59 -1.11 0.00 0.00 175.55 173.77 3du8 s PHE 115 N -4.00 0.33 0.24 2.71 -0.12 -0.66 -0.20 117.98 116.30 3du8 s PHE 115 Ca 0.20 -0.74 -0.21 0.00 -0.05 0.00 0.00 56.93 56.14 3du8 s PHE 115 Cb 0.03 -0.24 0.03 0.00 -0.63 0.00 0.00 43.02 42.21 3du8 s PHE 115 CO 0.03 -0.36 0.66 -0.59 -0.05 0.00 0.00 175.22 174.91 3du8 s PHE 116 N -3.08 -0.22 0.04 3.49 -0.12 -0.78 -0.80 117.98 116.51 3du8 s PHE 116 Ca -0.01 -0.17 0.04 0.00 -0.05 0.00 0.00 56.93 56.74 3du8 s PHE 116 Cb 0.02 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 3du8 s PHE 116 CO -0.07 -1.11 -0.02 0.71 -0.05 0.00 0.00 175.22 174.68 3du8 s TYR 117 N -3.89 2.97 0.17 3.49 1.51 -1.26 -0.11 117.35 120.23 3du8 s TYR 117 Ca 0.09 -0.01 -0.07 0.00 -1.01 0.00 0.00 57.07 56.07 3du8 s TYR 117 Cb -0.04 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.21 3du8 s TYR 117 CO 0.02 0.44 0.25 -1.54 -1.11 0.00 0.00 175.55 173.61 3du8 s SER 118 N -1.85 0.09 -0.18 2.29 1.04 -0.23 -4.96 113.70 109.89 3du8 s SER 118 Ca 0.21 -0.97 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 3du8 s SER 118 Cb -0.11 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 3du8 s SER 118 CO 0.13 -0.88 -0.04 -0.44 0.98 0.00 0.00 173.24 172.99 3du8 s SER 119 N -3.00 4.59 -0.26 7.02 0.01 -1.26 0.30 113.70 121.10 3du8 s SER 119 Ca 0.20 -0.24 -0.16 0.00 1.31 0.00 0.00 55.95 57.06 3du8 s SER 119 Cb 0.04 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 3du8 s SER 119 CO 0.02 0.09 0.44 -0.69 0.41 0.00 0.00 173.24 173.51 3du8 s VAL 126 N 0.83 5.13 -0.07 3.43 1.01 -1.26 -5.14 120.40 124.33 3du8 s VAL 126 Ca -0.01 0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.74 3du8 s VAL 126 Cb -0.15 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 3du8 s VAL 126 CO 0.02 0.14 -0.17 -0.31 0.00 0.00 0.00 175.10 174.78 3du8 s TYR 127 N 2.08 2.66 -0.03 5.22 1.51 0.15 -1.40 117.35 127.54 3du8 s TYR 127 Ca 0.18 -0.37 -0.29 0.00 -1.01 0.00 0.00 57.07 55.58 3du8 s TYR 127 Cb -0.16 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 3du8 s TYR 127 CO 0.09 0.02 0.94 -1.17 -1.11 0.00 0.00 175.55 174.32 3du8 s LEU 128 N -0.39 4.34 -0.26 -1.29 2.96 0.12 -1.07 118.68 123.10 3du8 s LEU 128 Ca 0.04 1.56 -0.03 0.00 -0.22 0.00 0.00 54.13 55.48 3du8 s LEU 128 Cb -0.12 -3.49 0.02 0.00 0.50 0.00 0.00 46.19 43.10 3du8 s LEU 128 CO 0.02 -0.27 -0.03 0.20 -1.32 0.00 0.00 176.35 174.95 3du8 s ASN 129 N 0.99 4.49 -0.40 3.68 -0.87 0.84 -0.58 114.94 123.09 3du8 s ASN 129 Ca 0.49 -0.80 -0.17 0.00 -1.57 0.00 0.00 52.86 50.82 3du8 s ASN 129 Cb -0.20 -1.72 0.01 0.00 -0.02 0.00 0.00 41.25 39.33 3du8 s ASN 129 CO 0.25 -0.13 0.41 -0.76 -2.57 0.00 0.00 177.10 174.30 3du8 s LEU 130 N 1.38 4.78 -0.47 0.60 1.43 0.64 -1.87 118.68 125.16 3du8 s LEU 130 Ca 0.01 -0.59 -0.23 0.00 -1.03 0.00 0.00 54.13 52.30 3du8 s LEU 130 Cb -0.17 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.72 3du8 s LEU 130 CO -0.03 -0.52 0.80 -0.69 0.23 0.00 0.00 176.35 176.15 3du8 s VAL 131 N 2.08 4.62 0.18 -1.59 1.01 0.73 -0.58 120.40 126.84 3du8 s VAL 131 Ca 0.12 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.53 3du8 s VAL 131 Cb -0.17 -4.36 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3du8 s VAL 131 CO 0.13 -0.79 -0.09 -0.76 0.00 0.00 0.00 175.10 173.59 3du8 s LEU 132 N 3.37 3.00 0.26 3.92 1.43 0.11 0.50 118.68 131.27 3du8 s LEU 132 Ca 0.29 -0.56 -0.31 0.00 -1.03 0.00 0.00 54.13 52.53 3du8 s LEU 132 Cb -0.13 -1.69 -0.13 0.00 0.03 0.00 0.00 46.19 44.28 3du8 s LEU 132 CO 0.22 0.10 1.49 0.47 0.23 0.00 0.00 176.35 178.86 3du8 n ASP 133 N 0.05 3.21 -4.70 2.29 8.00 -0.75 -0.74 116.55 123.92 3du8 n ASP 133 Ca -0.11 1.14 -0.42 0.00 0.71 0.00 0.00 54.79 56.11 3du8 n ASP 133 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 3du8 n ASP 133 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3du8 s TYR 134 N -0.02 3.42 -0.15 1.24 5.04 -1.02 -4.35 117.35 121.52 3du8 s TYR 134 Ca 0.67 1.41 0.02 0.00 -2.44 0.00 0.00 57.07 56.72 3du8 s TYR 134 Cb -0.59 -3.32 0.01 0.00 0.35 0.00 0.00 41.96 38.41 3du8 s TYR 134 CO 0.49 -0.85 -0.21 0.08 -1.34 0.00 0.00 175.55 173.72 3du8 s VAL 135 N 1.55 2.13 0.16 3.14 1.01 -1.26 -4.93 120.40 122.20 3du8 s VAL 135 Ca 0.55 -0.95 0.15 0.00 0.00 0.00 0.00 61.98 61.73 3du8 s VAL 135 Cb -0.24 -1.86 0.05 0.00 0.00 0.00 0.00 36.38 34.33 3du8 s VAL 135 CO 0.25 0.54 1.63 1.55 0.00 0.00 0.00 175.10 179.07 3du8 h PRO 136 N 7.40 0.00 0.00 2.72 0.13 -1.97 -3.46 132.00 136.82 3du8 h PRO 136 Ca -0.34 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.39 3du8 h PRO 136 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 3du8 h PRO 136 CO 0.57 0.51 -0.31 0.39 -0.23 0.00 0.00 178.00 178.93 3du8 n GLU 137 N -3.56 0.94 -3.89 0.86 -0.58 -0.33 -4.99 120.64 109.09 3du8 n GLU 137 Ca -0.00 -2.34 -0.09 0.00 -0.42 0.00 0.00 57.16 54.31 3du8 n GLU 137 Cb 0.60 0.95 -0.09 0.00 -0.57 0.00 0.00 31.44 32.34 3du8 n GLU 137 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3du8 s THR 138 N -2.38 0.13 0.35 2.62 -4.23 -1.26 -1.15 115.64 109.72 3du8 s THR 138 Ca 0.07 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.53 3du8 s THR 138 Cb 0.00 -1.05 0.28 0.00 1.34 0.00 0.00 72.50 73.08 3du8 s THR 138 CO 0.05 -0.60 1.97 0.58 -0.54 0.00 0.00 174.62 176.08 3du8 h VAL 139 N 3.34 1.08 0.14 2.29 2.07 -0.84 -2.02 116.25 122.30 3du8 h VAL 139 Ca -0.33 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.91 3du8 h VAL 139 Cb 1.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3du8 h VAL 139 CO 0.52 0.15 -0.14 0.22 0.02 0.00 0.00 177.57 178.34 3du8 h TYR 140 N 0.82 -0.36 -0.65 1.57 3.20 -1.74 0.79 116.97 120.60 3du8 h TYR 140 Ca 0.29 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 3du8 h TYR 140 Cb 0.13 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 3du8 h TYR 140 CO -0.00 -0.22 0.27 0.00 -1.64 0.00 0.00 178.16 176.58 3du8 h ARG 141 N -0.31 0.97 -0.11 1.82 3.08 -1.82 -1.48 114.38 116.53 3du8 h ARG 141 Ca 0.01 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3du8 h ARG 141 Cb 0.30 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3du8 h ARG 141 CO -0.04 0.80 -0.07 0.28 -1.07 0.00 0.00 179.97 179.88 3du8 h VAL 142 N 0.92 1.33 -0.63 2.04 2.07 -1.30 -2.58 116.25 118.10 3du8 h VAL 142 Ca 0.22 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.70 3du8 h VAL 142 Cb 0.19 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3du8 h VAL 142 CO -0.02 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.18 3du8 h ALA 143 N 0.63 0.83 -0.19 1.67 0.00 -0.76 -2.67 119.26 118.78 3du8 h ALA 143 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3du8 h ALA 143 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3du8 h ALA 143 CO 0.02 -0.10 -0.20 -0.09 0.00 0.00 0.00 179.25 178.88 3du8 h ARG 144 N 0.51 0.32 -0.40 0.00 2.43 -1.26 -0.52 114.38 115.46 3du8 h ARG 144 Ca 0.30 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3du8 h ARG 144 Cb 0.31 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3du8 h ARG 144 CO -0.25 0.51 0.25 1.25 -1.51 0.00 0.00 179.97 180.22 3du8 h HIS 145 N 0.29 0.52 -0.31 2.20 2.76 -1.13 -2.13 115.15 117.35 3du8 h HIS 145 Ca 0.05 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 3du8 h HIS 145 Cb 0.52 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 3du8 h HIS 145 CO 0.01 0.36 -0.23 1.88 -1.30 0.00 0.00 177.93 178.65 3du8 h TYR 146 N 0.53 0.83 -0.70 5.26 -1.99 -1.17 -2.85 116.97 116.89 3du8 h TYR 146 Ca 0.14 -0.23 0.10 0.00 2.00 0.00 0.00 58.73 60.75 3du8 h TYR 146 Cb -0.02 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 38.45 3du8 h TYR 146 CO -0.04 0.96 0.31 1.03 -0.00 0.00 0.00 178.16 180.43 3du8 h SER 147 N 0.46 0.37 0.43 3.88 0.87 -1.07 -0.76 113.55 117.73 3du8 h SER 147 Ca 0.06 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3du8 h SER 147 Cb 0.79 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3du8 h SER 147 CO 0.06 0.20 -0.32 -2.11 -0.53 0.00 0.00 176.83 174.13 3du8 n ARG 148 N -4.92 0.40 -0.29 2.24 1.85 -0.81 -2.32 116.66 112.81 3du8 n ARG 148 Ca 0.11 -0.21 0.04 0.00 -1.00 0.00 0.00 57.85 56.80 3du8 n ARG 148 Cb 0.30 -1.50 0.16 0.00 -1.05 0.00 0.00 32.46 30.38 3du8 n ARG 148 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3du8 n ALA 149 N -1.12 2.79 -3.95 2.89 0.00 -0.67 -4.94 120.51 115.50 3du8 n ALA 149 Ca 0.09 -0.72 -0.39 0.00 0.00 0.00 0.00 53.44 52.42 3du8 n ALA 149 Cb 0.33 -1.02 0.02 0.00 0.00 0.00 0.00 19.45 18.78 3du8 n ALA 149 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3du8 n LYS 150 N 0.37 -0.66 -3.71 0.00 4.76 -0.98 -4.98 118.16 112.96 3du8 n LYS 150 Ca 0.12 0.30 -0.13 0.00 -2.87 0.00 0.00 58.31 55.72 3du8 n LYS 150 Cb 0.48 -2.70 -0.08 0.00 -1.84 0.00 0.00 35.03 30.89 3du8 n LYS 150 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 3du8 s GLN 151 N -6.63 0.79 0.12 1.97 2.00 -0.38 -5.03 119.66 112.49 3du8 s GLN 151 Ca 0.37 -0.23 0.06 0.00 -2.00 0.00 0.00 55.36 53.56 3du8 s GLN 151 Cb -0.20 0.35 -0.04 0.00 0.80 0.00 0.00 33.01 33.93 3du8 s GLN 151 CO 0.94 -0.24 -0.02 0.95 -0.50 0.00 0.00 175.29 176.41 3du8 s THR 152 N -1.78 3.78 0.24 -0.34 -4.23 -1.26 -3.39 115.64 108.67 3du8 s THR 152 Ca -0.10 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 3du8 s THR 152 Cb -0.03 -2.82 -0.12 0.00 1.34 0.00 0.00 72.50 70.86 3du8 s THR 152 CO 0.02 0.05 1.63 -0.11 -0.54 0.00 0.00 174.62 175.68 3du8 n LEU 153 N 0.40 3.98 -4.66 4.79 7.94 -1.26 -4.91 117.00 123.27 3du8 n LEU 153 Ca -0.11 1.10 -0.41 0.00 -1.11 0.00 0.00 56.01 55.48 3du8 n LEU 153 Cb 0.53 -1.56 0.02 0.00 0.53 0.00 0.00 43.42 42.94 3du8 n LEU 153 CO 0.38 0.07 0.75 -2.65 -1.11 0.00 0.00 177.39 174.82 3du8 n PRO 154 N 3.05 1.61 0.30 1.96 -0.02 -1.26 -4.79 135.00 135.86 3du8 n PRO 154 Ca 0.13 0.58 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 3du8 n PRO 154 Cb 0.35 -2.24 0.97 0.00 -0.02 0.00 0.00 33.50 32.56 3du8 n PRO 154 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3du8 h VAL 155 N 1.73 0.26 -0.33 -1.45 2.07 -1.99 -2.07 116.25 114.47 3du8 h VAL 155 Ca -0.47 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3du8 h VAL 155 Cb 1.32 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 3du8 h VAL 155 CO 0.58 0.03 0.12 -0.29 0.02 0.00 0.00 177.57 178.02 3du8 h ILE 156 N 0.00 1.20 -0.54 4.57 6.09 -1.99 0.11 117.51 126.94 3du8 h ILE 156 Ca -0.00 -0.62 -0.08 0.00 -1.37 0.00 0.00 64.86 62.79 3du8 h ILE 156 Cb 0.14 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 38.39 3du8 h ILE 156 CO 0.00 0.22 0.04 1.88 -3.07 0.00 0.00 178.15 177.22 3du8 h TYR 157 N 0.39 1.00 -0.45 2.19 0.05 -1.75 -0.56 116.97 117.84 3du8 h TYR 157 Ca 0.11 -0.16 0.08 0.00 0.05 0.00 0.00 58.73 58.81 3du8 h TYR 157 Cb 0.22 -0.27 -0.07 0.00 1.01 0.00 0.00 36.73 37.62 3du8 h TYR 157 CO 0.00 0.91 0.01 0.28 -1.05 0.00 0.00 178.16 178.31 3du8 h VAL 158 N 0.81 0.66 0.08 -2.88 2.07 -1.21 0.39 116.25 116.17 3du8 h VAL 158 Ca 0.16 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.65 3du8 h VAL 158 Cb 0.48 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3du8 h VAL 158 CO 0.02 0.02 -0.22 0.11 0.02 0.00 0.00 177.57 177.53 3du8 h LYS 159 N 0.13 -0.37 -0.64 1.57 1.57 -0.60 -0.61 116.57 117.61 3du8 h LYS 159 Ca 0.23 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3du8 h LYS 159 Cb 0.33 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3du8 h LYS 159 CO -0.36 -0.25 0.36 -0.07 -0.57 0.00 0.00 179.45 178.56 3du8 h LEU 160 N -0.39 0.80 -0.08 2.94 3.38 -0.74 -1.99 115.31 119.23 3du8 h LEU 160 Ca 0.04 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3du8 h LEU 160 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3du8 h LEU 160 CO -0.15 0.66 -0.18 1.88 0.09 0.00 0.00 178.44 180.74 3du8 h TYR 161 N 0.88 0.34 -0.72 1.13 0.05 -0.84 -2.79 116.97 115.02 3du8 h TYR 161 Ca 0.23 -0.13 -0.05 0.00 0.05 0.00 0.00 58.73 58.83 3du8 h TYR 161 Cb 0.03 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3du8 h TYR 161 CO -0.01 0.79 0.25 0.52 -1.05 0.00 0.00 178.16 178.67 3du8 h MET 162 N -0.21 1.09 -0.11 4.88 2.86 -1.09 -1.54 114.93 120.82 3du8 h MET 162 Ca 0.00 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3du8 h MET 162 Cb 0.78 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3du8 h MET 162 CO 0.04 0.91 0.03 -0.92 1.06 0.00 0.00 176.91 178.03 3du8 h TYR 163 N 1.06 0.18 -0.45 -0.22 3.20 -1.41 -0.94 116.97 118.39 3du8 h TYR 163 Ca 0.24 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3du8 h TYR 163 Cb 0.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 3du8 h TYR 163 CO 0.02 0.32 0.23 1.96 -1.64 0.00 0.00 178.16 179.04 3du8 h GLN 164 N -0.01 0.63 -0.04 1.82 4.20 -1.40 0.36 115.11 120.67 3du8 h GLN 164 Ca 0.04 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3du8 h GLN 164 Cb 0.22 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3du8 h GLN 164 CO -0.00 0.48 0.00 1.25 -0.67 0.00 0.00 178.83 179.90 3du8 h LEU 165 N 0.63 0.06 -1.58 1.46 5.85 -0.92 -1.94 115.31 118.87 3du8 h LEU 165 Ca 0.16 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.63 3du8 h LEU 165 Cb 0.06 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3du8 h LEU 165 CO -0.02 0.31 0.31 -0.26 -0.34 0.00 0.00 178.44 178.44 3du8 h PHE 166 N -0.20 0.53 0.46 1.25 0.04 -0.84 -1.74 116.94 116.43 3du8 h PHE 166 Ca 0.01 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3du8 h PHE 166 Cb 0.28 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3du8 h PHE 166 CO 0.02 0.32 -0.22 0.00 -0.60 0.00 0.00 178.31 177.82 3du8 h ARG 167 N 0.55 -0.60 -0.99 1.51 3.08 -0.78 0.12 114.38 117.26 3du8 h ARG 167 Ca 0.19 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.47 3du8 h ARG 167 Cb 0.06 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.15 3du8 h ARG 167 CO -0.05 -0.39 0.61 0.66 -1.07 0.00 0.00 179.97 179.74 3du8 h SER 168 N -0.64 0.73 -0.16 7.04 4.64 -0.85 -1.07 113.55 123.23 3du8 h SER 168 Ca -0.06 0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 3du8 h SER 168 Cb 0.49 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3du8 h SER 168 CO 0.10 0.26 -0.49 -0.07 -0.87 0.00 0.00 176.83 175.77 3du8 h LEU 169 N 0.71 0.70 -0.68 5.97 3.38 -1.15 -1.92 115.31 122.32 3du8 h LEU 169 Ca 0.56 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 58.07 3du8 h LEU 169 Cb 0.95 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 3du8 h LEU 169 CO -0.35 1.17 0.21 0.00 0.09 0.00 0.00 178.44 179.56 3du8 h ALA 170 N 0.55 0.89 0.15 1.53 0.00 -0.28 0.21 119.26 122.31 3du8 h ALA 170 Ca -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3du8 h ALA 170 Cb 1.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3du8 h ALA 170 CO 0.10 -0.26 -0.07 -0.92 0.00 0.00 0.00 179.25 178.10 3du8 h TYR 171 N 0.34 -0.19 -0.31 0.00 5.03 -1.05 -2.66 116.97 118.13 3du8 h TYR 171 Ca 0.37 -0.00 -0.15 0.00 2.58 0.00 0.00 58.73 61.53 3du8 h TYR 171 Cb 0.56 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.89 3du8 h TYR 171 CO -0.21 0.12 -0.39 -0.84 -1.32 0.00 0.00 178.16 175.51 3du8 h ILE 172 N -0.51 1.29 0.00 1.81 3.07 -1.12 -2.45 117.51 119.60 3du8 h ILE 172 Ca -0.02 -1.56 -0.00 0.00 1.55 0.00 0.00 64.86 64.82 3du8 h ILE 172 Cb 0.39 1.47 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3du8 h ILE 172 CO 0.03 0.51 -0.02 0.45 -1.05 0.00 0.00 178.15 178.08 3du8 h HIS 173 N 0.61 0.00 0.00 0.16 3.86 -0.54 -1.19 115.15 118.05 3du8 h HIS 173 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3du8 h HIS 173 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 3du8 h HIS 173 CO 0.05 0.02 0.00 0.66 0.86 0.00 0.00 177.93 179.51 3du8 h SER 174 N 0.00 0.00 -0.44 2.45 4.64 -1.06 0.69 113.55 119.83 3du8 h SER 174 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3du8 h SER 174 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3du8 h SER 174 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3du8 n PHE 175 N -2.91 0.58 -1.04 4.77 3.01 -0.50 -4.92 117.46 116.45 3du8 n PHE 175 Ca 0.02 -0.29 -0.01 0.00 1.01 0.00 0.00 57.45 58.17 3du8 n PHE 175 Cb 0.33 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 3du8 n PHE 175 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3du8 n GLY 176 N 1.32 0.31 3.67 1.37 0.00 0.24 -4.95 105.19 107.15 3du8 n GLY 176 Ca 0.17 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3du8 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3du8 s ILE 177 N -1.49 4.90 -0.15 -0.61 1.01 -0.89 -1.00 121.20 122.97 3du8 s ILE 177 Ca 0.00 1.57 -0.04 0.00 0.00 0.00 0.00 60.65 62.18 3du8 s ILE 177 Cb 0.00 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3du8 s ILE 177 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.99 3du8 h HIS 179 N 6.41 0.65 0.00 0.00 2.76 -1.91 -2.10 115.15 120.96 3du8 h HIS 179 Ca -0.36 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 3du8 h HIS 179 Cb 1.18 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 30.02 3du8 h HIS 179 CO 0.56 0.94 0.00 0.54 -1.30 0.00 0.00 177.93 178.67 3du8 n ARG 180 N -4.36 -0.63 -2.73 5.26 1.74 -1.26 -3.27 116.66 111.42 3du8 n ARG 180 Ca -0.06 0.16 -0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3du8 n ARG 180 Cb 0.47 -3.89 0.07 0.00 -1.02 0.00 0.00 32.46 28.09 3du8 n ARG 180 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3du8 n ASP 181 N -0.31 0.38 -4.67 0.55 2.03 -1.26 -2.08 116.55 111.18 3du8 n ASP 181 Ca 0.00 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 3du8 n ASP 181 Cb 0.16 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.51 3du8 n ASP 181 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3du8 s ILE 182 N -2.18 3.93 0.04 5.18 -1.09 -1.26 -4.86 121.20 120.95 3du8 s ILE 182 Ca 0.23 1.19 -0.27 0.00 -2.23 0.00 0.00 60.65 59.57 3du8 s ILE 182 Cb 0.40 -3.76 0.09 0.00 -1.58 0.00 0.00 42.46 37.61 3du8 s ILE 182 CO -0.04 -0.07 0.75 -1.59 -1.23 0.00 0.00 174.94 172.76 3du8 s LYS 183 N 3.28 1.02 0.47 2.79 -2.85 -1.26 -4.81 119.74 118.38 3du8 s LYS 183 Ca 0.63 -0.23 0.23 0.00 -1.00 0.00 0.00 55.97 55.60 3du8 s LYS 183 Cb -0.28 0.47 1.26 0.00 -2.06 0.00 0.00 37.83 37.22 3du8 s LYS 183 CO 0.23 -0.42 1.88 -1.35 0.10 0.00 0.00 175.35 175.79 3du8 h PRO 184 N 2.22 0.21 0.00 1.78 0.11 -1.94 0.55 132.00 134.93 3du8 h PRO 184 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 3du8 h PRO 184 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3du8 h PRO 184 CO 0.35 0.14 -0.08 1.96 -0.21 0.00 0.00 178.00 180.16 3du8 h GLN 185 N 0.22 0.00 -0.07 1.05 7.50 -1.96 -2.69 115.11 119.17 3du8 h GLN 185 Ca 0.43 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.58 3du8 h GLN 185 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.86 3du8 h GLN 185 CO -0.10 0.08 0.00 0.09 -1.50 0.00 0.00 178.83 177.40 3du8 n ASN 186 N -3.27 2.19 -4.26 1.46 3.02 0.18 -4.71 115.26 109.89 3du8 n ASN 186 Ca -0.00 -1.74 -0.43 0.00 -0.03 0.00 0.00 54.58 52.38 3du8 n ASN 186 Cb 0.31 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.39 3du8 n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3du8 s LEU 187 N -1.91 6.14 0.49 3.41 1.43 -1.08 -1.74 118.68 125.41 3du8 s LEU 187 Ca 0.34 -2.39 -0.20 0.00 -1.03 0.00 0.00 54.13 50.85 3du8 s LEU 187 Cb 0.20 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 3du8 s LEU 187 CO 0.31 -0.61 1.03 -0.76 0.23 0.00 0.00 176.35 176.55 3du8 s LEU 188 N 0.64 3.82 -0.00 1.79 1.43 -0.61 -0.50 118.68 125.25 3du8 s LEU 188 Ca 0.12 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.12 3du8 s LEU 188 Cb -0.19 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.47 3du8 s LEU 188 CO -0.04 -0.76 -0.05 -0.76 0.23 0.00 0.00 176.35 174.97 3du8 s LEU 189 N -3.55 2.02 -0.37 1.79 1.43 -0.30 -1.54 118.68 118.16 3du8 s LEU 189 Ca 0.66 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.52 3du8 s LEU 189 Cb -0.15 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.81 3du8 s LEU 189 CO 0.21 0.05 0.25 -0.62 0.23 0.00 0.00 176.35 176.47 3du8 s ASP 190 N -0.18 5.95 0.29 2.29 -1.08 0.03 -1.19 116.67 122.79 3du8 s ASP 190 Ca 0.02 -0.73 0.03 0.00 -0.52 0.00 0.00 52.55 51.35 3du8 s ASP 190 Cb -0.02 -2.11 0.46 0.00 -1.46 0.00 0.00 42.92 39.79 3du8 s ASP 190 CO -0.00 -0.34 1.75 1.55 0.52 0.00 0.00 175.17 178.65 3du8 h PRO 191 N 8.52 0.47 -0.04 4.34 0.13 -1.96 0.12 132.00 143.57 3du8 h PRO 191 Ca -0.29 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3du8 h PRO 191 Cb 1.13 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3du8 h PRO 191 CO 0.67 0.66 0.01 -0.44 -0.23 0.00 0.00 178.00 178.68 3du8 h ASP 192 N 0.42 0.06 0.77 1.44 3.32 -1.97 -3.20 116.42 117.26 3du8 h ASP 192 Ca 0.07 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3du8 h ASP 192 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3du8 h ASP 192 CO 0.04 0.23 -0.66 0.35 -1.72 0.00 0.00 179.24 177.48 3du8 n THR 193 N -4.96 0.29 -1.60 0.35 -2.24 -1.18 -4.95 114.28 99.99 3du8 n THR 193 Ca -0.07 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.33 3du8 n THR 193 Cb 0.12 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 3du8 n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3du8 n ALA 194 N -1.79 -0.27 -2.20 6.98 0.00 0.41 -4.11 120.51 119.53 3du8 n ALA 194 Ca 0.03 0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3du8 n ALA 194 Cb 0.43 -1.63 -0.04 0.00 0.00 0.00 0.00 19.45 18.21 3du8 n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3du8 s VAL 195 N -2.59 4.19 -0.11 0.00 1.01 -1.19 -4.86 120.40 116.86 3du8 s VAL 195 Ca 0.00 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 3du8 s VAL 195 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3du8 s VAL 195 CO 0.00 0.28 -0.08 -0.22 0.00 0.00 0.00 175.10 175.08 3du8 s LEU 196 N -0.04 3.05 -0.18 3.92 0.20 -1.26 -0.79 118.68 123.58 3du8 s LEU 196 Ca 0.49 -0.14 -0.00 0.00 0.69 0.00 0.00 54.13 55.17 3du8 s LEU 196 Cb -0.26 -1.69 0.04 0.00 -0.43 0.00 0.00 46.19 43.85 3du8 s LEU 196 CO 0.32 0.26 -0.07 -0.54 -0.29 0.00 0.00 176.35 176.02 3du8 s LYS 197 N -0.17 1.65 0.31 1.98 1.02 -0.59 -4.30 119.74 119.64 3du8 s LYS 197 Ca 0.02 -0.64 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 3du8 s LYS 197 Cb -0.13 -2.16 -0.11 0.00 -0.52 0.00 0.00 37.83 34.90 3du8 s LYS 197 CO 0.03 -0.43 1.59 -1.17 -0.92 0.00 0.00 175.35 174.44 3du8 s LEU 198 N 1.55 4.34 0.00 3.17 2.96 0.17 -1.57 118.68 129.29 3du8 s LEU 198 Ca -0.00 2.98 0.06 0.00 -0.22 0.00 0.00 54.13 56.95 3du8 s LEU 198 Cb -0.16 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 42.87 3du8 s LEU 198 CO -0.08 -0.92 0.21 0.00 -1.32 0.00 0.00 176.35 174.24 3du8 n ASP 200 N -1.93 -7.76 -1.62 0.00 2.03 -1.26 -4.90 116.55 101.11 3du8 n ASP 200 Ca 0.05 0.65 0.07 0.00 0.52 0.00 0.00 54.79 56.08 3du8 n ASP 200 Cb 0.47 -5.24 0.34 0.00 -0.72 0.00 0.00 41.12 35.98 3du8 n ASP 200 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3du8 n PHE 201 N -0.16 1.64 0.31 -0.67 3.01 -1.26 -4.46 117.46 115.86 3du8 n PHE 201 Ca 0.10 -0.60 0.17 0.00 1.01 0.00 0.00 57.45 58.13 3du8 n PHE 201 Cb 0.38 -0.37 0.99 0.00 -0.01 0.00 0.00 39.48 40.47 3du8 n PHE 201 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3du8 h GLY 202 N 4.24 0.00 -1.00 1.37 0.00 -1.92 -2.03 103.07 103.73 3du8 h GLY 202 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3du8 h GLY 202 CO 0.34 0.00 -0.37 1.44 0.00 0.00 0.00 176.54 177.95 3du8 n SER 203 N -3.61 2.00 -4.78 0.19 7.64 -1.26 -4.89 113.62 108.90 3du8 n SER 203 Ca -0.03 -1.50 -0.37 0.00 1.01 0.00 0.00 58.87 57.99 3du8 n SER 203 Cb 0.09 0.42 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 3du8 n SER 203 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3du8 s ALA 204 N -2.21 3.06 -0.12 -0.43 0.00 -0.76 -4.71 121.76 116.59 3du8 s ALA 204 Ca 0.18 0.74 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 3du8 s ALA 204 Cb 0.16 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.03 3du8 s ALA 204 CO 0.48 -0.29 0.39 0.21 0.00 0.00 0.00 175.76 176.56 3du8 s LYS 205 N -2.55 0.52 -0.08 0.00 2.20 -0.79 -4.85 119.74 114.19 3du8 s LYS 205 Ca 0.59 0.42 -0.30 0.00 -0.36 0.00 0.00 55.97 56.33 3du8 s LYS 205 Cb -0.23 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3du8 s LYS 205 CO 0.29 -0.08 1.50 -1.14 -0.36 0.00 0.00 175.35 175.55 3du8 s GLN 206 N -0.08 4.21 -0.30 4.03 0.74 -1.26 -1.37 119.66 125.62 3du8 s GLN 206 Ca -0.03 1.99 -0.17 0.00 0.05 0.00 0.00 55.36 57.20 3du8 s GLN 206 Cb -0.03 -3.86 -0.02 0.00 1.10 0.00 0.00 33.01 30.19 3du8 s GLN 206 CO 0.01 -0.77 0.47 -0.51 -0.55 0.00 0.00 175.29 173.95 3du8 s LEU 207 N 3.67 4.17 -0.18 3.68 1.43 -0.17 -4.97 118.68 126.30 3du8 s LEU 207 Ca 0.66 0.23 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 3du8 s LEU 207 Cb -0.29 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.34 3du8 s LEU 207 CO 0.24 -0.33 -0.02 -0.69 0.23 0.00 0.00 176.35 175.78 3du8 s VAL 208 N 2.27 3.95 0.26 -1.59 1.01 -1.26 -4.92 120.40 120.12 3du8 s VAL 208 Ca 0.18 -0.33 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3du8 s VAL 208 Cb -0.16 -2.76 -0.15 0.00 0.00 0.00 0.00 36.38 33.32 3du8 s VAL 208 CO 0.11 0.46 0.91 -1.14 0.00 0.00 0.00 175.10 175.44 3du8 n ARG 209 N 3.86 1.03 0.00 2.72 0.63 -1.26 -1.55 116.66 122.09 3du8 n ARG 209 Ca -0.17 0.36 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 3du8 n ARG 209 Cb 0.52 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.77 3du8 n ARG 209 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3du8 n GLY 210 N 1.45 2.74 3.74 5.14 0.00 -1.26 -5.00 105.19 111.99 3du8 n GLY 210 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3du8 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3du8 s GLU 211 N 0.00 4.54 0.32 1.61 2.02 -0.60 -5.08 118.70 121.51 3du8 s GLU 211 Ca 0.00 1.17 -0.23 0.00 0.02 0.00 0.00 54.97 55.93 3du8 s GLU 211 Cb 0.00 -3.38 -0.10 0.00 0.10 0.00 0.00 34.13 30.75 3du8 s GLU 211 CO 0.00 0.22 0.87 -1.25 0.02 0.00 0.00 175.26 175.12 3du8 s PRO 212 N 0.13 4.39 0.14 0.39 0.04 -1.26 -4.78 135.00 134.05 3du8 s PRO 212 Ca 0.42 1.12 0.05 0.00 0.04 0.00 0.00 61.00 62.63 3du8 s PRO 212 Cb -0.21 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 3du8 s PRO 212 CO 0.25 0.24 -0.12 -0.80 0.04 0.00 0.00 177.00 176.61 3du8 s ASN 213 N -1.78 1.94 0.28 6.66 0.01 0.15 -5.03 114.94 117.17 3du8 s ASN 213 Ca 0.51 -0.90 -0.30 0.00 -0.71 0.00 0.00 52.86 51.46 3du8 s ASN 213 Cb -0.16 -0.05 -0.11 0.00 0.41 0.00 0.00 41.25 41.35 3du8 s ASN 213 CO 0.21 -0.22 1.51 0.68 -1.51 0.00 0.00 177.10 177.77 3du8 s VAL 214 N -2.65 2.32 -2.25 1.60 -7.23 -1.26 -4.38 120.40 106.55 3du8 s VAL 214 Ca 0.13 0.28 0.23 0.00 -1.81 0.00 0.00 61.98 60.81 3du8 s VAL 214 Cb -0.02 -3.18 0.54 0.00 0.56 0.00 0.00 36.38 34.28 3du8 s VAL 214 CO 0.02 0.05 1.69 -1.54 -0.31 0.00 0.00 175.10 175.01 3du8 n SER 215 N 2.03 1.15 -1.41 4.85 3.41 -1.26 -4.21 113.62 118.18 3du8 n SER 215 Ca 0.07 -1.54 0.09 0.00 -0.26 0.00 0.00 58.87 57.23 3du8 n SER 215 Cb 0.39 -0.05 0.33 0.00 -0.26 0.00 0.00 64.21 64.61 3du8 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3du8 n TYR 216 N -0.05 1.30 -1.87 7.33 0.18 -1.26 -4.82 117.16 117.96 3du8 n TYR 216 Ca 0.17 -0.62 -0.29 0.00 1.88 0.00 0.00 57.90 59.04 3du8 n TYR 216 Cb 0.26 -0.22 0.10 0.00 -0.38 0.00 0.00 39.34 39.11 3du8 n TYR 216 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3du8 s ILE 217 N -1.81 2.00 0.00 -3.48 -5.25 -1.26 -4.98 121.20 106.41 3du8 s ILE 217 Ca 0.47 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 60.13 3du8 s ILE 217 Cb 0.31 -2.98 0.00 0.00 2.95 0.00 0.00 42.46 42.73 3du8 s ILE 217 CO 0.23 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.38 3du8 s SER 219 N -1.97 6.82 0.23 0.00 0.01 -1.26 -4.88 113.70 112.65 3du8 s SER 219 Ca 0.00 1.08 -0.31 0.00 1.31 0.00 0.00 55.95 58.03 3du8 s SER 219 Cb 0.00 -2.29 -0.14 0.00 0.21 0.00 0.00 66.02 63.80 3du8 s SER 219 CO 0.00 0.09 1.22 -2.11 0.41 0.00 0.00 173.24 172.85 3du8 n ARG 220 N 0.74 1.57 0.00 12.44 1.85 -1.26 -1.06 116.66 130.94 3du8 n ARG 220 Ca -0.05 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.36 3du8 n ARG 220 Cb 0.52 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 3du8 n ARG 220 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3du8 n TYR 221 N 1.28 0.00 0.70 2.89 0.53 -1.26 -4.82 117.16 116.48 3du8 n TYR 221 Ca 0.12 0.00 0.09 0.00 -1.02 0.00 0.00 57.90 57.09 3du8 n TYR 221 Cb 0.29 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.68 3du8 n TYR 221 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3du8 n TYR 222 N 0.00 0.03 -2.81 -0.72 4.01 -0.22 -4.63 117.16 112.81 3du8 n TYR 222 Ca 0.00 -0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3du8 n TYR 222 Cb 0.00 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 3du8 n TYR 222 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3du8 s ARG 223 N -1.46 4.55 0.45 -0.72 0.52 -1.16 -3.78 118.95 117.35 3du8 s ARG 223 Ca 0.21 1.28 -0.23 0.00 -0.52 0.00 0.00 55.73 56.47 3du8 s ARG 223 Cb 0.15 -3.44 -0.08 0.00 0.52 0.00 0.00 34.95 32.11 3du8 s ARG 223 CO 0.22 0.04 1.14 0.00 0.02 0.00 0.00 175.30 176.72 3du8 s ALA 224 N 0.73 2.98 0.24 2.13 0.00 -1.26 -4.84 121.76 121.74 3du8 s ALA 224 Ca 0.47 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 53.25 3du8 s ALA 224 Cb -0.21 -3.36 0.41 0.00 0.00 0.00 0.00 23.12 19.97 3du8 s ALA 224 CO 0.26 -0.57 1.74 -1.00 0.00 0.00 0.00 175.76 176.19 3du8 h PRO 225 N 2.08 0.45 -0.94 0.00 0.13 -1.95 0.10 132.00 131.88 3du8 h PRO 225 Ca -0.49 -0.03 0.20 0.00 -0.87 0.00 0.00 66.00 64.81 3du8 h PRO 225 Cb 1.24 -0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 3du8 h PRO 225 CO 0.60 0.30 0.61 1.05 -0.23 0.00 0.00 178.00 180.33 3du8 h GLU 226 N 0.46 0.48 -0.09 0.86 9.09 -1.89 0.23 114.58 123.71 3du8 h GLU 226 Ca 0.39 -0.03 -0.03 0.00 0.05 0.00 0.00 59.36 59.74 3du8 h GLU 226 Cb 0.55 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3du8 h GLU 226 CO -0.37 0.32 -0.06 -0.07 0.05 0.00 0.00 179.01 178.87 3du8 h LEU 227 N 0.49 0.22 -0.41 3.06 3.38 -1.12 -0.42 115.31 120.51 3du8 h LEU 227 Ca 0.50 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3du8 h LEU 227 Cb 1.12 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 3du8 h LEU 227 CO -0.22 0.62 0.08 0.40 0.09 0.00 0.00 178.44 179.40 3du8 h ILE 228 N -0.18 0.78 0.00 1.22 2.04 -0.74 0.54 117.51 121.17 3du8 h ILE 228 Ca 0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3du8 h ILE 228 Cb 0.54 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3du8 h ILE 228 CO 0.02 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.70 3du8 n PHE 229 N -5.10 0.00 -1.66 1.37 3.72 0.70 -4.90 117.46 111.59 3du8 n PHE 229 Ca 0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.35 3du8 n PHE 229 Cb 0.19 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.71 3du8 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3du8 n GLY 230 N -0.32 0.56 3.76 1.37 0.00 0.18 -4.52 105.19 106.23 3du8 n GLY 230 Ca 0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 3du8 n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3du8 n ALA 231 N -0.02 1.87 0.13 4.61 0.00 -0.20 -4.88 120.51 122.02 3du8 n ALA 231 Ca -0.09 0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.56 3du8 n ALA 231 Cb 0.41 -2.38 0.01 0.00 0.00 0.00 0.00 19.45 17.49 3du8 n ALA 231 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3du8 n THR 232 N -0.61 0.02 -1.40 0.00 -2.24 -1.26 -4.26 114.28 104.52 3du8 n THR 232 Ca 0.08 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 3du8 n THR 232 Cb 0.43 1.06 0.20 0.00 -2.10 0.00 0.00 70.33 69.91 3du8 n THR 232 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3du8 n ASP 233 N 0.17 2.79 -4.79 3.42 3.85 -1.26 -0.68 116.55 120.05 3du8 n ASP 233 Ca 0.02 -3.74 -0.30 0.00 -0.71 0.00 0.00 54.79 50.05 3du8 n ASP 233 Cb 0.08 -0.69 0.09 0.00 -1.35 0.00 0.00 41.12 39.25 3du8 n ASP 233 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3du8 s TYR 234 N -3.27 2.78 0.00 2.11 -0.85 -1.26 -5.05 117.35 111.81 3du8 s TYR 234 Ca 0.48 1.20 0.00 0.00 -0.52 0.00 0.00 57.07 58.23 3du8 s TYR 234 Cb 0.43 -3.10 0.00 0.00 0.38 0.00 0.00 41.96 39.67 3du8 s TYR 234 CO 0.03 -1.81 0.00 0.25 -1.52 0.00 0.00 175.55 172.50 3du8 n THR 235 N -3.47 0.00 0.64 -3.49 -2.24 -1.26 -4.98 114.28 99.48 3du8 n THR 235 Ca 0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3du8 n THR 235 Cb 0.56 -0.21 0.35 0.00 -2.10 0.00 0.00 70.33 68.93 3du8 n THR 235 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3du8 n SER 236 N -0.39 0.73 0.00 3.42 7.64 -1.26 -2.99 113.62 120.78 3du8 n SER 236 Ca 0.00 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.30 3du8 n SER 236 Cb 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 3du8 n SER 236 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3du8 n SER 237 N -2.16 0.00 0.06 6.43 3.41 -1.26 -2.07 113.62 118.03 3du8 n SER 237 Ca 0.05 0.12 -0.10 0.00 -0.26 0.00 0.00 58.87 58.68 3du8 n SER 237 Cb 0.43 -0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3du8 n SER 237 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3du8 h ILE 238 N 0.00 1.40 -0.65 -1.33 3.07 -1.93 -2.80 117.51 115.27 3du8 h ILE 238 Ca 0.00 -2.29 0.04 0.00 1.55 0.00 0.00 64.86 64.16 3du8 h ILE 238 Cb 0.04 2.24 -0.04 0.00 -0.27 0.00 0.00 36.82 38.79 3du8 h ILE 238 CO 0.00 0.68 0.43 0.44 -1.05 0.00 0.00 178.15 178.65 3du8 h ASP 239 N 0.23 0.66 -0.23 2.16 3.32 -1.70 -1.80 116.42 119.06 3du8 h ASP 239 Ca -0.04 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.93 3du8 h ASP 239 Cb 1.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3du8 h ASP 239 CO 0.14 0.45 -0.12 0.58 -1.72 0.00 0.00 179.24 178.57 3du8 h VAL 240 N 0.76 1.30 -0.02 -1.35 2.07 -1.61 0.15 116.25 117.56 3du8 h VAL 240 Ca 0.26 -1.20 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3du8 h VAL 240 Cb 0.09 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3du8 h VAL 240 CO -0.07 0.37 -0.17 -0.25 0.02 0.00 0.00 177.57 177.46 3du8 h TRP 241 N 0.19 -0.45 -0.74 1.57 2.91 -1.33 0.14 115.95 118.26 3du8 h TRP 241 Ca 0.05 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.17 3du8 h TRP 241 Cb 0.62 0.20 -0.07 0.00 -0.51 0.00 0.00 29.16 29.41 3du8 h TRP 241 CO 0.06 -0.25 0.40 0.77 -1.03 0.00 0.00 178.44 178.39 3du8 h SER 242 N -0.27 0.56 -0.74 2.65 0.02 -1.07 -0.72 113.55 113.98 3du8 h SER 242 Ca 0.06 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3du8 h SER 242 Cb 0.35 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3du8 h SER 242 CO -0.18 0.33 0.49 0.00 -1.14 0.00 0.00 176.83 176.33 3du8 h ALA 243 N 1.41 0.94 -0.70 3.77 0.00 -0.28 -1.90 119.26 122.50 3du8 h ALA 243 Ca 0.35 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3du8 h ALA 243 Cb 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3du8 h ALA 243 CO -0.23 0.36 0.46 0.78 0.00 0.00 0.00 179.25 180.61 3du8 h GLY 244 N 1.00 0.95 1.13 0.00 0.00 0.59 -1.10 103.07 105.65 3du8 h GLY 244 Ca 0.27 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 3du8 h GLY 244 CO -0.06 0.28 -0.16 0.00 0.00 0.00 0.00 176.54 176.60 3du8 h VAL 246 N 0.88 1.24 0.19 0.00 2.07 -0.86 -2.37 116.25 117.40 3du8 h VAL 246 Ca 0.13 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3du8 h VAL 246 Cb 0.73 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3du8 h VAL 246 CO 0.06 0.31 -0.21 0.25 0.02 0.00 0.00 177.57 178.00 3du8 h LEU 247 N 0.70 -0.56 -0.99 2.57 5.85 -1.03 -1.37 115.31 120.49 3du8 h LEU 247 Ca 0.16 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.04 3du8 h LEU 247 Cb 0.34 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 3du8 h LEU 247 CO 0.00 -0.30 0.62 0.00 -0.34 0.00 0.00 178.44 178.42 3du8 h ALA 248 N 0.31 1.46 -0.40 1.25 0.00 -1.18 -1.41 119.26 119.29 3du8 h ALA 248 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3du8 h ALA 248 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3du8 h ALA 248 CO -0.06 0.26 -0.25 1.49 0.00 0.00 0.00 179.25 180.69 3du8 h GLU 249 N 1.02 0.83 -0.50 0.00 4.81 -1.02 0.28 114.58 119.99 3du8 h GLU 249 Ca 0.48 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3du8 h GLU 249 Cb 0.41 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3du8 h GLU 249 CO -0.25 0.99 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.88 3du8 h LEU 250 N 0.72 0.90 -0.21 1.64 3.38 -0.78 0.12 115.31 121.06 3du8 h LEU 250 Ca 0.09 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3du8 h LEU 250 Cb 0.79 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3du8 h LEU 250 CO 0.07 1.00 -0.11 -0.07 0.09 0.00 0.00 178.44 179.41 3du8 h LEU 251 N 0.82 0.47 -0.08 1.67 3.38 -0.86 -3.35 115.31 117.35 3du8 h LEU 251 Ca 0.14 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.52 3du8 h LEU 251 Cb 0.59 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3du8 h LEU 251 CO 0.04 0.78 -0.83 -0.07 0.09 0.00 0.00 178.44 178.45 3du8 h LEU 252 N 0.15 0.00 0.00 1.67 3.38 -0.47 -3.46 115.31 116.58 3du8 h LEU 252 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3du8 h LEU 252 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3du8 h LEU 252 CO 0.03 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.00 3du8 n GLY 253 N 1.21 0.82 3.47 0.83 0.00 0.40 -5.02 105.19 106.89 3du8 n GLY 253 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 3du8 n GLY 253 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3du8 s GLN 254 N -0.57 1.32 0.48 1.61 -2.07 -1.17 -4.83 119.66 114.44 3du8 s GLN 254 Ca 0.00 -0.67 -0.24 0.00 -1.82 0.00 0.00 55.36 52.64 3du8 s GLN 254 Cb 0.00 0.55 -0.08 0.00 -1.09 0.00 0.00 33.01 32.40 3du8 s GLN 254 CO 0.00 -0.57 1.30 -2.30 -1.32 0.00 0.00 175.29 172.40 3du8 n PRO 255 N -0.35 1.82 0.04 9.60 -0.02 -1.26 -4.26 135.00 140.56 3du8 n PRO 255 Ca -0.14 0.66 0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3du8 n PRO 255 Cb 0.63 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 3du8 n PRO 255 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3du8 h ILE 256 N 1.77 0.50 -2.17 4.25 2.10 -1.90 -3.40 117.51 118.66 3du8 h ILE 256 Ca -0.49 -1.96 -0.57 0.00 1.08 0.00 0.00 64.86 62.92 3du8 h ILE 256 Cb 1.30 2.03 -0.41 0.00 -1.09 0.00 0.00 36.82 38.65 3du8 h ILE 256 CO 0.58 0.28 -0.80 0.49 -1.08 0.00 0.00 178.15 177.63 3du8 n PHE 257 N -2.90 2.65 -1.68 2.19 3.72 -1.26 -4.87 117.46 115.31 3du8 n PHE 257 Ca -0.08 -3.95 -0.31 0.00 -0.05 0.00 0.00 57.45 53.06 3du8 n PHE 257 Cb 0.82 -0.48 0.05 0.00 -0.94 0.00 0.00 39.48 38.94 3du8 n PHE 257 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3du8 s PRO 258 N -2.78 2.85 0.00 -1.08 0.04 -1.26 -4.35 135.00 128.42 3du8 s PRO 258 Ca 0.43 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.23 3du8 s PRO 258 Cb 0.25 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.80 3du8 s PRO 258 CO -0.09 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.25 3du8 n GLY 259 N -2.33 3.79 0.08 0.56 0.00 -1.26 -4.11 105.19 101.92 3du8 n GLY 259 Ca 0.07 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3du8 n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3du8 n ASP 260 N 0.00 0.68 -4.32 1.61 10.43 -1.26 -4.72 116.55 118.97 3du8 n ASP 260 Ca 0.00 0.45 -0.17 0.00 2.57 0.00 0.00 54.79 57.64 3du8 n ASP 260 Cb 0.00 -0.53 -0.10 0.00 1.84 0.00 0.00 41.12 42.32 3du8 n ASP 260 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3du8 s SER 261 N -4.22 2.04 0.20 -2.24 1.04 -1.26 -5.03 113.70 104.23 3du8 s SER 261 Ca 0.10 -1.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 3du8 s SER 261 Cb 0.14 -0.04 0.21 0.00 0.10 0.00 0.00 66.02 66.42 3du8 s SER 261 CO 0.62 -0.38 1.61 1.23 0.98 0.00 0.00 173.24 177.30 3du8 h GLY 262 N 2.57 0.29 0.15 7.32 0.00 -1.97 -1.28 103.07 110.15 3du8 h GLY 262 Ca -0.38 0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.31 3du8 h GLY 262 CO 0.64 -0.24 -0.13 -2.08 0.00 0.00 0.00 176.54 174.74 3du8 h VAL 263 N -0.06 0.55 -0.53 4.60 2.07 -1.97 0.11 116.25 121.02 3du8 h VAL 263 Ca 0.28 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.72 3du8 h VAL 263 Cb 0.50 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 3du8 h VAL 263 CO -0.66 0.00 0.01 0.44 0.02 0.00 0.00 177.57 177.38 3du8 h ASP 264 N -0.03 0.86 -0.13 0.57 3.32 -1.70 -2.21 116.42 117.09 3du8 h ASP 264 Ca 0.19 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3du8 h ASP 264 Cb 0.33 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3du8 h ASP 264 CO -0.43 0.92 0.09 1.56 -1.72 0.00 0.00 179.24 179.66 3du8 h GLN 265 N 0.83 0.17 -0.58 3.56 4.20 -0.91 -2.72 115.11 119.66 3du8 h GLN 265 Ca 0.16 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3du8 h GLN 265 Cb 0.48 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 3du8 h GLN 265 CO 0.02 0.11 0.28 -0.07 -0.67 0.00 0.00 178.83 178.50 3du8 h LEU 266 N 0.18 0.74 -0.36 1.46 3.38 -0.52 -1.44 115.31 118.75 3du8 h LEU 266 Ca 0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3du8 h LEU 266 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3du8 h LEU 266 CO -0.01 0.63 0.03 0.58 0.09 0.00 0.00 178.44 179.75 3du8 h VAL 267 N 0.82 1.25 -0.96 1.22 2.07 -1.31 1.00 116.25 120.34 3du8 h VAL 267 Ca 0.20 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3du8 h VAL 267 Cb 0.09 1.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3du8 h VAL 267 CO -0.03 0.31 0.63 -0.33 0.02 0.00 0.00 177.57 178.16 3du8 h GLU 268 N 0.43 1.10 0.25 1.57 4.39 -1.15 0.47 114.58 121.65 3du8 h GLU 268 Ca 0.10 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3du8 h GLU 268 Cb 0.41 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3du8 h GLU 268 CO 0.01 0.73 -0.12 0.82 -1.16 0.00 0.00 179.01 179.29 3du8 h ILE 269 N 1.14 0.78 -0.82 3.13 2.04 -0.70 -3.00 117.51 120.07 3du8 h ILE 269 Ca 0.41 -0.70 0.14 0.00 1.00 0.00 0.00 64.86 65.70 3du8 h ILE 269 Cb 0.14 1.15 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 3du8 h ILE 269 CO -0.15 0.14 0.41 0.40 0.00 0.00 0.00 178.15 178.95 3du8 h ILE 270 N -0.73 0.75 -0.50 -0.67 2.04 -0.74 0.41 117.51 118.07 3du8 h ILE 270 Ca -0.03 -0.21 0.15 0.00 1.00 0.00 0.00 64.86 65.76 3du8 h ILE 270 Cb 0.49 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3du8 h ILE 270 CO 0.06 0.11 0.38 0.11 0.00 0.00 0.00 178.15 178.81 3du8 h LYS 271 N 0.61 0.00 0.01 2.37 1.57 -0.85 0.59 116.57 120.86 3du8 h LYS 271 Ca 0.44 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.80 3du8 h LYS 271 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3du8 h LYS 271 CO -0.35 0.00 -2.38 0.28 -0.57 0.00 0.00 179.45 176.43 3du8 n VAL 272 N -4.28 1.53 0.95 0.50 0.31 0.34 -3.40 118.33 114.28 3du8 n VAL 272 Ca 0.09 -0.43 0.12 0.00 -0.01 0.00 0.00 64.34 64.11 3du8 n VAL 272 Cb 0.59 -1.73 0.25 0.00 -0.91 0.00 0.00 33.84 32.04 3du8 n VAL 272 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3du8 n LEU 273 N -3.88 0.50 -0.30 7.52 4.77 0.12 -2.78 117.00 122.95 3du8 n LEU 273 Ca -0.48 0.04 0.04 0.00 -0.03 0.00 0.00 56.01 55.57 3du8 n LEU 273 Cb 0.91 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3du8 n LEU 273 CO 0.15 0.10 -0.12 0.61 -1.33 0.00 0.00 177.39 176.80 3du8 n GLY 274 N 1.48 -2.48 3.71 -0.72 0.00 0.20 -4.57 105.19 102.82 3du8 n GLY 274 Ca 0.05 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 3du8 n GLY 274 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3du8 n THR 275 N -2.66 1.14 -2.30 2.61 -1.04 0.25 -4.63 114.28 107.66 3du8 n THR 275 Ca -0.01 -0.29 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 3du8 n THR 275 Cb 0.14 -1.71 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 3du8 n THR 275 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3du8 s PRO 276 N -0.68 4.46 0.91 -2.82 0.04 -1.26 -5.01 135.00 130.63 3du8 s PRO 276 Ca 0.64 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 3du8 s PRO 276 Cb -0.57 -3.20 0.14 0.00 0.04 0.00 0.00 34.50 30.91 3du8 s PRO 276 CO 0.51 -0.13 1.11 0.95 0.04 0.00 0.00 177.00 179.48 3du8 s THR 277 N -0.21 2.50 0.40 1.26 -4.23 -1.26 -4.80 115.64 109.31 3du8 s THR 277 Ca 0.53 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3du8 s THR 277 Cb -0.35 -2.40 0.14 0.00 1.34 0.00 0.00 72.50 71.23 3du8 s THR 277 CO 0.39 -0.21 1.90 0.03 -0.54 0.00 0.00 174.62 176.19 3du8 h ARG 278 N -1.72 0.04 -0.25 3.99 3.08 -1.99 -1.41 114.38 116.12 3du8 h ARG 278 Ca -0.47 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.37 3du8 h ARG 278 Cb 1.27 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3du8 h ARG 278 CO 0.48 0.31 -0.62 1.49 -1.07 0.00 0.00 179.97 180.55 3du8 h GLU 279 N 0.04 0.86 -0.72 0.04 4.22 -1.99 -1.90 114.58 115.14 3du8 h GLU 279 Ca 0.01 -0.59 0.02 0.00 0.08 0.00 0.00 59.36 58.87 3du8 h GLU 279 Cb 0.49 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 3du8 h GLU 279 CO 0.04 1.22 0.47 1.96 -2.18 0.00 0.00 179.01 180.51 3du8 h GLN 280 N 0.64 0.91 -0.34 1.92 4.20 -1.79 -1.98 115.11 118.67 3du8 h GLN 280 Ca -0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3du8 h GLN 280 Cb 1.24 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 3du8 h GLN 280 CO 0.13 0.60 0.18 0.82 -0.67 0.00 0.00 178.83 179.90 3du8 h ILE 281 N 0.94 1.15 0.00 2.54 2.04 -1.21 -1.98 117.51 120.99 3du8 h ILE 281 Ca 0.27 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 3du8 h ILE 281 Cb -0.07 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3du8 h ILE 281 CO -0.07 0.15 -0.16 -0.09 0.00 0.00 0.00 178.15 177.98 3du8 h ARG 282 N 0.42 0.00 0.03 2.37 2.43 -1.17 0.37 114.38 118.84 3du8 h ARG 282 Ca 0.12 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.04 3du8 h ARG 282 Cb 0.09 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3du8 h ARG 282 CO -0.02 0.16 -1.00 1.49 -1.51 0.00 0.00 179.97 179.09 3du8 h GLU 283 N 0.00 0.63 -0.02 0.20 4.57 -0.94 -2.76 114.58 116.26 3du8 h GLU 283 Ca -0.00 -0.72 -0.08 0.00 -1.18 0.00 0.00 59.36 57.39 3du8 h GLU 283 Cb 0.38 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3du8 h GLU 283 CO 0.02 1.30 -0.35 0.52 -1.18 0.00 0.00 179.01 179.32 3du8 h MET 284 N 0.26 0.03 0.00 1.92 2.86 -0.98 -3.44 114.93 115.59 3du8 h MET 284 Ca -0.13 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3du8 h MET 284 Cb 1.68 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.33 3du8 h MET 284 CO 0.20 0.38 0.00 -1.71 1.06 0.00 0.00 176.91 176.83 3du8 n ASN 285 N -4.12 0.00 -4.82 1.22 2.85 0.13 -4.65 115.26 105.86 3du8 n ASN 285 Ca -0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.10 3du8 n ASN 285 Cb 0.39 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.35 3du8 n ASN 285 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3du8 s PRO 286 N 0.00 4.19 -0.40 1.20 0.05 -1.26 -4.26 135.00 134.52 3du8 s PRO 286 Ca 0.00 0.82 0.10 0.00 0.05 0.00 0.00 61.00 61.98 3du8 s PRO 286 Cb 0.00 -2.75 0.37 0.00 0.05 0.00 0.00 34.50 32.17 3du8 s PRO 286 CO 0.00 0.32 1.06 1.19 0.05 0.00 0.00 177.00 179.63 3du8 n PHE 293 N 0.41 -1.31 -2.04 0.56 3.01 -1.26 -5.00 117.46 111.83 3du8 n PHE 293 Ca -0.01 -2.59 -0.36 0.00 1.01 0.00 0.00 57.45 55.51 3du8 n PHE 293 Cb 0.52 0.78 0.03 0.00 -0.01 0.00 0.00 39.48 40.79 3du8 n PHE 293 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3du8 s PRO 294 N -1.01 3.03 -0.71 -1.08 0.04 -1.26 -4.99 135.00 129.02 3du8 s PRO 294 Ca 0.27 1.75 0.05 0.00 0.04 0.00 0.00 61.00 63.10 3du8 s PRO 294 Cb 0.36 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 33.16 3du8 s PRO 294 CO -0.05 -1.14 0.61 0.94 0.04 0.00 0.00 177.00 177.40 3du8 n GLN 295 N -1.59 2.14 -4.55 4.56 -0.06 -1.26 -4.75 117.38 111.87 3du8 n GLN 295 Ca 0.13 -4.55 -0.33 0.00 -2.00 0.00 0.00 57.00 50.25 3du8 n GLN 295 Cb 0.50 -2.30 -0.11 0.00 -4.06 0.00 0.00 30.24 24.28 3du8 n GLN 295 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 3du8 s ILE 296 N -1.76 3.74 0.38 1.69 1.01 -1.26 -4.98 121.20 120.02 3du8 s ILE 296 Ca 0.29 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.21 3du8 s ILE 296 Cb 0.01 -2.57 -0.09 0.00 0.01 0.00 0.00 42.46 39.82 3du8 s ILE 296 CO -0.12 0.52 0.84 -0.75 0.00 0.00 0.00 174.94 175.43 3du8 s LYS 297 N -1.04 4.07 0.20 2.79 2.20 -1.26 -0.58 119.74 126.11 3du8 s LYS 297 Ca 0.14 0.84 -0.32 0.00 -0.36 0.00 0.00 55.97 56.28 3du8 s LYS 297 Cb -0.11 -2.31 -0.11 0.00 -1.51 0.00 0.00 37.83 33.78 3du8 s LYS 297 CO 0.04 0.04 1.67 0.00 -0.36 0.00 0.00 175.35 176.74 3du8 s ALA 298 N -2.13 3.88 -0.27 3.13 0.00 -1.26 -4.52 121.76 120.59 3du8 s ALA 298 Ca 0.57 1.52 -0.29 0.00 0.00 0.00 0.00 51.96 53.76 3du8 s ALA 298 Cb -0.10 -3.67 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 3du8 s ALA 298 CO 0.18 -0.88 1.34 -1.58 0.00 0.00 0.00 175.76 174.82 3du8 s HIS 299 N 1.14 2.62 0.09 0.00 2.46 -1.12 -4.91 115.29 115.57 3du8 s HIS 299 Ca 0.73 0.83 -0.32 0.00 0.47 0.00 0.00 55.06 56.77 3du8 s HIS 299 Cb -0.48 -3.88 -0.11 0.00 -0.13 0.00 0.00 32.58 27.98 3du8 s HIS 299 CO 0.32 -1.89 1.81 -0.35 -2.47 0.00 0.00 174.74 172.17 3du8 n PRO 300 N 7.29 2.59 -0.05 2.88 -0.04 -1.26 -4.81 135.00 141.60 3du8 n PRO 300 Ca 0.15 0.94 0.23 0.00 -0.04 0.00 0.00 63.50 64.78 3du8 n PRO 300 Cb 0.46 -2.81 0.71 0.00 -0.04 0.00 0.00 33.50 31.82 3du8 n PRO 300 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3du8 h TRP 301 N 8.38 0.00 -1.00 0.54 4.06 -1.92 0.15 115.95 126.15 3du8 h TRP 301 Ca -0.47 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.50 3du8 h TRP 301 Cb 1.24 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.34 3du8 h TRP 301 CO 0.79 0.00 0.66 1.15 -3.56 0.00 0.00 178.44 177.48 3du8 h THR 302 N 0.00 1.24 0.00 1.49 2.02 -1.96 -2.65 112.91 113.05 3du8 h THR 302 Ca 0.30 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 3du8 h THR 302 Cb 1.24 -0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3du8 h THR 302 CO -0.00 0.24 -0.11 0.50 0.37 0.00 0.00 175.52 176.52 3du8 h LYS 303 N 1.34 0.00 -0.65 6.66 3.64 -1.05 -3.24 116.57 123.26 3du8 h LYS 303 Ca 0.38 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 3du8 h LYS 303 Cb -0.12 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3du8 h LYS 303 CO -0.09 0.11 0.43 0.28 -2.27 0.00 0.00 179.45 177.92 3du8 h VAL 304 N 0.00 1.14 -1.92 2.00 2.07 -1.44 -3.46 116.25 114.65 3du8 h VAL 304 Ca -0.00 -0.29 -0.53 0.00 0.82 0.00 0.00 66.70 66.70 3du8 h VAL 304 Cb 0.66 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3du8 h VAL 304 CO 0.01 0.15 -0.52 -0.36 0.02 0.00 0.00 177.57 176.88 3du8 s PHE 305 N -5.72 2.79 0.91 1.57 0.08 -1.23 -5.05 117.98 111.33 3du8 s PHE 305 Ca -0.10 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 3du8 s PHE 305 Cb 0.18 -1.64 0.15 0.00 -0.57 0.00 0.00 43.02 41.14 3du8 s PHE 305 CO 0.77 0.33 1.14 -0.98 -0.10 0.00 0.00 175.22 176.37 3du8 s ARG 306 N -3.88 1.02 0.37 0.44 1.70 -1.26 -4.91 118.95 112.44 3du8 s ARG 306 Ca 0.38 1.49 0.24 0.00 -0.47 0.00 0.00 55.73 57.37 3du8 s ARG 306 Cb -0.04 -1.73 0.50 0.00 -0.57 0.00 0.00 34.95 33.11 3du8 s ARG 306 CO 0.24 -2.61 1.67 -1.00 -1.08 0.00 0.00 175.30 172.51 3du8 h PRO 307 N -1.85 0.00 -0.43 3.89 0.14 -1.98 -2.81 132.00 128.96 3du8 h PRO 307 Ca -0.44 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.70 3du8 h PRO 307 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.41 3du8 h PRO 307 CO 0.43 0.00 0.00 0.54 0.14 0.00 0.00 178.00 179.11 3du8 n ARG 308 N -2.85 1.87 -2.04 0.86 1.74 -1.26 -4.94 116.66 110.04 3du8 n ARG 308 Ca 0.04 -1.05 -0.42 0.00 -0.77 0.00 0.00 57.85 55.65 3du8 n ARG 308 Cb 0.50 -1.37 -0.03 0.00 -1.02 0.00 0.00 32.46 30.54 3du8 n ARG 308 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3du8 s THR 309 N -1.64 3.34 0.19 0.55 2.01 -1.06 -4.94 115.64 114.09 3du8 s THR 309 Ca 0.19 0.72 -0.33 0.00 0.31 0.00 0.00 61.69 62.58 3du8 s THR 309 Cb 0.11 -3.46 -0.14 0.00 0.01 0.00 0.00 72.50 69.02 3du8 s THR 309 CO 0.11 -0.01 1.46 -2.65 -0.69 0.00 0.00 174.62 172.84 3du8 n PRO 310 N 5.77 1.96 -0.07 4.92 -0.02 -1.26 -4.88 135.00 141.41 3du8 n PRO 310 Ca 0.15 0.70 0.04 0.00 -2.02 0.00 0.00 63.50 62.37 3du8 n PRO 310 Cb 0.42 -2.40 0.38 0.00 -0.02 0.00 0.00 33.50 31.88 3du8 n PRO 310 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3du8 h PRO 311 N 4.97 0.64 -0.19 0.52 0.11 -1.98 -2.13 132.00 133.93 3du8 h PRO 311 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3du8 h PRO 311 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3du8 h PRO 311 CO 0.81 0.43 -0.32 0.93 -0.21 0.00 0.00 178.00 179.64 3du8 h GLU 312 N 0.66 0.39 -0.26 1.05 3.07 -1.96 -0.90 114.58 116.64 3du8 h GLU 312 Ca 0.20 -0.16 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3du8 h GLU 312 Cb -0.02 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.84 3du8 h GLU 312 CO -0.05 0.67 0.05 0.00 -1.40 0.00 0.00 179.01 178.29 3du8 h ALA 313 N 1.33 0.27 -0.24 3.43 0.00 -1.76 -0.22 119.26 122.06 3du8 h ALA 313 Ca 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3du8 h ALA 313 Cb 0.73 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 3du8 h ALA 313 CO 0.06 -0.36 -0.01 0.82 0.00 0.00 0.00 179.25 179.75 3du8 h ILE 314 N 0.15 1.26 -0.61 0.00 2.04 -1.33 -2.30 117.51 116.72 3du8 h ILE 314 Ca 0.12 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.12 3du8 h ILE 314 Cb 0.12 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 3du8 h ILE 314 CO -0.16 0.29 0.26 0.00 0.00 0.00 0.00 178.15 178.55 3du8 h ALA 315 N 0.79 0.80 -0.42 1.87 0.00 -1.14 -1.16 119.26 120.01 3du8 h ALA 315 Ca 0.07 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3du8 h ALA 315 Cb 0.44 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 3du8 h ALA 315 CO 0.02 -0.14 0.14 1.25 0.00 0.00 0.00 179.25 180.52 3du8 h LEU 316 N 0.47 0.14 -0.28 0.00 5.85 -0.88 -2.92 115.31 117.69 3du8 h LEU 316 Ca 0.30 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.12 3du8 h LEU 316 Cb 0.33 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3du8 h LEU 316 CO -0.27 0.11 -0.01 0.00 -0.34 0.00 0.00 178.44 177.93 3du8 h SER 318 N 0.07 0.00 0.36 0.00 4.64 -1.08 0.53 113.55 118.07 3du8 h SER 318 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3du8 h SER 318 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3du8 h SER 318 CO -0.24 0.00 -1.09 0.54 -0.87 0.00 0.00 176.83 175.17 3du8 n ARG 319 N -3.61 0.28 -0.01 4.77 5.12 -0.96 -4.16 116.66 118.09 3du8 n ARG 319 Ca -0.02 -0.02 -0.22 0.00 -1.93 0.00 0.00 57.85 55.67 3du8 n ARG 319 Cb 0.14 -1.58 -0.13 0.00 -1.16 0.00 0.00 32.46 29.73 3du8 n ARG 319 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3du8 n LEU 320 N -1.94 2.47 -3.84 0.55 4.77 -0.60 -1.61 117.00 116.81 3du8 n LEU 320 Ca 0.02 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.84 3du8 n LEU 320 Cb 0.43 -1.09 0.01 0.00 -2.33 0.00 0.00 43.42 40.44 3du8 n LEU 320 CO 0.41 0.74 1.71 0.18 -1.33 0.00 0.00 177.39 179.09 3du8 n LEU 321 N -3.68 6.84 -4.59 2.23 4.77 0.08 -4.30 117.00 118.34 3du8 n LEU 321 Ca -0.32 -4.93 -0.34 0.00 -0.03 0.00 0.00 56.01 50.40 3du8 n LEU 321 Cb 0.97 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 3du8 n LEU 321 CO 0.38 1.63 -0.37 -1.61 -1.33 0.00 0.00 177.39 176.09 3du8 s GLU 322 N -1.26 2.75 0.12 3.23 0.41 -1.26 -4.87 118.70 117.82 3du8 s GLU 322 Ca 0.39 -0.55 -0.27 0.00 -0.41 0.00 0.00 54.97 54.12 3du8 s GLU 322 Cb 0.10 -2.60 -0.07 0.00 -1.78 0.00 0.00 34.13 29.78 3du8 s GLU 322 CO 0.02 0.66 1.62 1.88 -0.49 0.00 0.00 175.26 178.95 3du8 h TYR 323 N 5.17 -0.81 -2.81 1.61 0.99 -1.96 -3.40 116.97 115.75 3du8 h TYR 323 Ca -0.49 0.02 -0.56 0.00 2.00 0.00 0.00 58.73 59.70 3du8 h TYR 323 Cb 1.17 0.35 -0.03 0.00 1.00 0.00 0.00 36.73 39.22 3du8 h TYR 323 CO 0.57 -0.40 1.01 0.99 -0.00 0.00 0.00 178.16 180.33 3du8 s THR 324 N -6.03 3.95 0.43 -2.88 2.01 -1.26 -4.65 115.64 107.21 3du8 s THR 324 Ca -0.16 1.13 0.09 0.00 0.31 0.00 0.00 61.69 63.06 3du8 s THR 324 Cb 0.08 -3.79 0.27 0.00 0.01 0.00 0.00 72.50 69.07 3du8 s THR 324 CO 0.65 -0.17 2.08 -0.65 -0.69 0.00 0.00 174.62 175.83 3du8 h PRO 325 N 9.17 0.44 0.00 4.92 0.11 -1.85 -2.13 132.00 142.65 3du8 h PRO 325 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3du8 h PRO 325 Cb 1.13 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3du8 h PRO 325 CO 0.98 0.29 0.00 1.79 -0.21 0.00 0.00 178.00 180.85 3du8 h THR 326 N 0.45 0.00 0.00 -1.15 1.35 -1.94 -3.02 112.91 108.60 3du8 h THR 326 Ca 0.12 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 3du8 h THR 326 Cb -0.05 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3du8 h THR 326 CO -0.03 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.19 3du8 n ALA 327 N -1.81 2.38 -1.78 6.62 0.00 -0.80 -4.91 120.51 120.21 3du8 n ALA 327 Ca 0.04 -0.07 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3du8 n ALA 327 Cb 0.38 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 3du8 n ALA 327 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3du8 s ARG 328 N -3.07 3.59 0.67 0.00 0.52 -1.15 -4.95 118.95 114.56 3du8 s ARG 328 Ca 0.11 1.61 -0.17 0.00 -0.52 0.00 0.00 55.73 56.76 3du8 s ARG 328 Cb 0.14 -2.16 -0.00 0.00 0.52 0.00 0.00 34.95 33.45 3du8 s ARG 328 CO 0.59 -0.65 1.23 1.28 0.02 0.00 0.00 175.30 177.76 3du8 n LEU 329 N -0.95 5.46 -4.86 2.53 4.77 -0.63 -5.01 117.00 118.32 3du8 n LEU 329 Ca 0.10 0.79 -0.30 0.00 -0.03 0.00 0.00 56.01 56.56 3du8 n LEU 329 Cb 0.50 -1.52 0.05 0.00 -2.33 0.00 0.00 43.42 40.12 3du8 n LEU 329 CO 0.43 -1.24 0.73 0.42 -1.33 0.00 0.00 177.39 176.41 3du8 s THR 330 N -1.51 3.72 0.26 -5.08 -4.23 -1.26 -4.89 115.64 102.65 3du8 s THR 330 Ca 0.81 0.56 -0.02 0.00 -1.18 0.00 0.00 61.69 61.86 3du8 s THR 330 Cb -0.37 -3.47 0.24 0.00 1.34 0.00 0.00 72.50 70.24 3du8 s THR 330 CO 0.43 -0.73 1.80 -0.65 -0.54 0.00 0.00 174.62 174.92 3du8 h PRO 331 N -0.68 0.75 -0.29 3.99 0.11 -1.93 -0.63 132.00 133.31 3du8 h PRO 331 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3du8 h PRO 331 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3du8 h PRO 331 CO 0.62 0.50 -0.03 1.25 -0.21 0.00 0.00 178.00 180.12 3du8 h LEU 332 N 0.77 0.53 -1.25 2.35 5.85 -1.94 0.06 115.31 121.68 3du8 h LEU 332 Ca 0.44 -0.34 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3du8 h LEU 332 Cb 0.50 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3du8 h LEU 332 CO -0.29 0.74 0.52 -0.33 -0.34 0.00 0.00 178.44 178.74 3du8 h GLU 333 N 0.31 0.95 -0.48 1.25 5.08 -1.89 -2.34 114.58 117.47 3du8 h GLU 333 Ca 0.08 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 3du8 h GLU 333 Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3du8 h GLU 333 CO 0.02 0.63 -0.13 0.00 -1.00 0.00 0.00 179.01 178.53 3du8 h ALA 334 N 1.54 0.67 -0.82 3.43 0.00 -0.35 -2.35 119.26 121.37 3du8 h ALA 334 Ca 0.31 -0.35 0.18 0.00 0.00 0.00 0.00 54.91 55.04 3du8 h ALA 334 Cb 0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3du8 h ALA 334 CO -0.09 0.59 0.55 0.00 0.00 0.00 0.00 179.25 180.30 3du8 n ALA 336 N -2.53 2.56 -1.54 0.00 0.00 -0.90 -4.79 120.51 113.31 3du8 n ALA 336 Ca 0.17 -0.45 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 3du8 n ALA 336 Cb 0.62 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.95 3du8 n ALA 336 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3du8 s HIS 337 N -1.90 2.58 0.35 0.00 2.46 -0.84 -4.96 115.29 112.99 3du8 s HIS 337 Ca 0.35 1.55 0.24 0.00 0.47 0.00 0.00 55.06 57.68 3du8 s HIS 337 Cb 0.19 -3.21 1.23 0.00 -0.13 0.00 0.00 32.58 30.65 3du8 s HIS 337 CO 0.30 -1.75 1.98 0.66 -2.47 0.00 0.00 174.74 173.46 3du8 h SER 338 N 0.19 0.00 -1.18 9.88 4.64 -1.91 -1.63 113.55 123.54 3du8 h SER 338 Ca -0.47 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.18 3du8 h SER 338 Cb 1.25 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.27 3du8 h SER 338 CO 0.54 0.18 0.81 0.15 -0.87 0.00 0.00 176.83 177.64 3du8 h PHE 339 N 0.00 0.32 -0.39 4.77 3.57 -1.93 -1.26 116.94 122.02 3du8 h PHE 339 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3du8 h PHE 339 Cb 0.47 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3du8 h PHE 339 CO 0.00 -0.00 0.00 1.19 -2.23 0.00 0.00 178.31 177.27 3du8 n PHE 340 N -4.41 0.52 -0.32 0.41 3.72 -0.61 -4.50 117.46 112.26 3du8 n PHE 340 Ca 0.28 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3du8 n PHE 340 Cb 1.16 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.84 3du8 n PHE 340 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3du8 h ASP 341 N 2.76 0.91 -0.46 4.37 3.32 -1.35 -1.49 116.42 124.49 3du8 h ASP 341 Ca 0.00 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.19 3du8 h ASP 341 Cb 0.62 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3du8 h ASP 341 CO 0.00 0.60 0.35 -0.08 -1.72 0.00 0.00 179.24 178.39 3du8 h GLU 342 N 1.06 0.00 0.00 3.56 4.81 -1.81 0.15 114.58 122.35 3du8 h GLU 342 Ca 0.37 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 3du8 h GLU 342 Cb 0.10 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3du8 h GLU 342 CO -0.15 0.00 -0.44 -0.07 -0.73 0.00 0.00 179.01 177.61 3du8 h LEU 343 N 0.00 0.00 -0.39 1.64 3.38 -1.60 -2.85 115.31 115.49 3du8 h LEU 343 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3du8 h LEU 343 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3du8 h LEU 343 CO -0.00 0.44 0.00 0.54 0.09 0.00 0.00 178.44 179.51 3du8 n ARG 344 N -3.70 1.26 -2.50 1.13 1.74 0.03 -4.88 116.66 109.74 3du8 n ARG 344 Ca -0.01 -0.39 -0.42 0.00 -0.77 0.00 0.00 57.85 56.26 3du8 n ARG 344 Cb 0.52 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 3du8 n ARG 344 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3du8 s ASP 345 N -1.87 7.13 0.58 0.55 -1.08 -1.08 -4.89 116.67 116.01 3du8 s ASP 345 Ca 0.40 1.85 0.27 0.00 -0.52 0.00 0.00 52.55 54.55 3du8 s ASP 345 Cb 0.19 -2.57 1.66 0.00 -1.46 0.00 0.00 42.92 40.75 3du8 s ASP 345 CO 0.32 -0.48 2.18 1.55 0.52 0.00 0.00 175.17 179.26 3du8 h PRO 346 N 7.07 0.00 -0.44 4.34 0.13 -1.89 -2.57 132.00 138.63 3du8 h PRO 346 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3du8 h PRO 346 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3du8 h PRO 346 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 3du8 n ASN 347 N -3.97 2.89 -4.76 1.44 3.02 -1.26 -4.98 115.26 107.64 3du8 n ASN 347 Ca -0.01 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.19 3du8 n ASN 347 Cb 0.18 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3du8 n ASN 347 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3du8 s VAL 348 N -1.41 2.65 0.10 2.41 0.11 -0.97 -5.03 120.40 118.25 3du8 s VAL 348 Ca 0.37 0.62 0.02 0.00 -2.93 0.00 0.00 61.98 60.07 3du8 s VAL 348 Cb 0.20 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.61 3du8 s VAL 348 CO 0.27 0.14 -0.07 -0.54 -3.33 0.00 0.00 175.10 171.57 3du8 s LYS 349 N -1.43 0.82 0.41 1.54 -0.14 -1.26 -4.57 119.74 115.11 3du8 s LYS 349 Ca 0.52 -1.28 -0.23 0.00 -1.36 0.00 0.00 55.97 53.62 3du8 s LYS 349 Cb -0.41 -0.26 -0.09 0.00 -1.68 0.00 0.00 37.83 35.39 3du8 s LYS 349 CO 0.51 0.00 1.01 -0.51 -0.76 0.00 0.00 175.35 175.60 3du8 s LEU 350 N -2.88 4.09 0.53 3.17 1.43 0.15 -4.89 118.68 120.28 3du8 s LEU 350 Ca 0.10 1.92 0.33 0.00 -1.03 0.00 0.00 54.13 55.45 3du8 s LEU 350 Cb 0.03 -4.28 1.48 0.00 0.03 0.00 0.00 46.19 43.46 3du8 s LEU 350 CO -0.04 -0.44 1.84 -0.65 0.23 0.00 0.00 176.35 177.29 3du8 h PRO 351 N 2.36 0.03 0.00 1.29 0.11 -2.00 0.24 132.00 134.04 3du8 h PRO 351 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3du8 h PRO 351 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3du8 h PRO 351 CO 0.62 0.02 0.00 0.27 -0.21 0.00 0.00 178.00 178.70 3du8 n ASN 352 N -4.25 0.00 0.00 -2.05 0.23 -1.26 -4.88 115.26 103.05 3du8 n ASN 352 Ca 0.22 -1.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 3du8 n ASN 352 Cb 1.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.79 3du8 n ASN 352 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3du8 n GLY 353 N 0.57 1.62 3.82 4.83 0.00 0.85 -5.05 105.19 111.83 3du8 n GLY 353 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3du8 n GLY 353 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3du8 s ARG 354 N -0.16 2.97 0.67 1.61 0.52 -1.25 -4.75 118.95 118.56 3du8 s ARG 354 Ca 0.00 0.98 -0.16 0.00 -0.52 0.00 0.00 55.73 56.03 3du8 s ARG 354 Cb 0.00 -1.99 0.01 0.00 0.52 0.00 0.00 34.95 33.48 3du8 s ARG 354 CO 0.00 -1.08 1.18 -0.51 0.02 0.00 0.00 175.30 174.91 3du8 s ASP 355 N -3.71 4.74 0.80 0.23 1.01 -1.26 -0.67 116.67 117.81 3du8 s ASP 355 Ca 0.58 2.26 -0.15 0.00 0.71 0.00 0.00 52.55 55.96 3du8 s ASP 355 Cb -0.14 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.21 3du8 s ASP 355 CO 0.53 -1.89 0.63 0.35 0.21 0.00 0.00 175.17 175.01 3du8 n THR 356 N -2.31 1.38 -1.60 -1.27 -2.24 -1.26 -4.67 114.28 102.30 3du8 n THR 356 Ca 0.13 -0.30 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 3du8 n THR 356 Cb 0.51 -0.81 0.17 0.00 -2.10 0.00 0.00 70.33 68.10 3du8 n THR 356 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3du8 n PRO 357 N -1.51 -1.27 -1.69 -0.78 -0.04 -1.26 -4.95 135.00 123.51 3du8 n PRO 357 Ca 0.10 -1.57 -0.51 0.00 -0.04 0.00 0.00 63.50 61.48 3du8 n PRO 357 Cb 0.51 -1.11 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 3du8 n PRO 357 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3du8 n ALA 358 N -3.79 0.57 -0.09 0.55 0.00 -1.26 -4.86 120.51 111.63 3du8 n ALA 358 Ca -0.17 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3du8 n ALA 358 Cb 0.45 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3du8 n ALA 358 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3du8 n LEU 359 N 5.90 0.10 0.00 0.00 4.77 -1.26 -4.89 117.00 121.62 3du8 n LEU 359 Ca 0.23 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3du8 n LEU 359 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3du8 n LEU 359 CO 0.74 0.03 0.04 0.49 -1.33 0.00 0.00 177.39 177.36 3du8 n PHE 360 N -0.44 0.00 -0.68 -1.77 0.99 -1.26 -4.85 117.46 109.44 3du8 n PHE 360 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.36 3du8 n PHE 360 Cb 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.40 3du8 n PHE 360 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3du8 n ASN 361 N -0.22 3.69 -4.74 4.37 6.94 -1.26 -4.86 115.26 119.18 3du8 n ASN 361 Ca 0.00 -2.17 -0.38 0.00 -0.02 0.00 0.00 54.58 52.01 3du8 n ASN 361 Cb 0.07 -0.97 0.05 0.00 -2.36 0.00 0.00 39.78 36.57 3du8 n ASN 361 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 3du8 s PHE 362 N 1.78 2.22 0.37 -2.53 0.40 -1.26 -5.05 117.98 113.91 3du8 s PHE 362 Ca 0.45 1.42 0.08 0.00 -0.60 0.00 0.00 56.93 58.28 3du8 s PHE 362 Cb 0.21 -3.75 -0.02 0.00 0.51 0.00 0.00 43.02 39.97 3du8 s PHE 362 CO -0.00 -2.87 0.33 0.95 0.70 0.00 0.00 175.22 174.32 3du8 s THR 363 N -1.35 3.14 0.23 0.64 -4.23 -1.26 -5.04 115.64 107.76 3du8 s THR 363 Ca 0.76 -1.36 -0.08 0.00 -1.18 0.00 0.00 61.69 59.82 3du8 s THR 363 Cb -0.39 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.55 3du8 s THR 363 CO 0.44 -0.10 1.89 0.74 -0.54 0.00 0.00 174.62 177.05 3du8 h THR 364 N 1.15 1.23 0.05 3.99 2.02 -1.98 -1.95 112.91 117.42 3du8 h THR 364 Ca -0.43 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 66.32 3du8 h THR 364 Cb 1.26 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3du8 h THR 364 CO 0.58 0.23 -0.16 -0.61 0.37 0.00 0.00 175.52 175.92 3du8 h GLN 365 N 1.18 -0.28 -0.35 6.66 5.75 -2.00 -2.20 115.11 123.87 3du8 h GLN 365 Ca 0.31 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 3du8 h GLN 365 Cb -0.11 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3du8 h GLN 365 CO -0.07 -0.19 0.19 1.49 -2.65 0.00 0.00 178.83 177.61 3du8 h GLU 366 N -0.29 0.47 -0.01 1.69 4.81 -1.81 -2.69 114.58 116.75 3du8 h GLU 366 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3du8 h GLU 366 Cb 0.34 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3du8 h GLU 366 CO -0.12 0.35 -0.32 1.28 -0.73 0.00 0.00 179.01 179.47 3du8 n LEU 367 N -4.45 0.95 0.33 1.64 4.77 -0.77 -4.53 117.00 114.94 3du8 n LEU 367 Ca 0.02 -0.23 0.21 0.00 -0.03 0.00 0.00 56.01 55.98 3du8 n LEU 367 Cb 0.09 -0.14 1.14 0.00 -2.33 0.00 0.00 43.42 42.18 3du8 n LEU 367 CO 0.36 0.19 1.17 0.77 -1.33 0.00 0.00 177.39 178.55 3du8 h SER 368 N 1.00 0.00 0.92 -1.43 4.64 -1.05 -0.23 113.55 117.41 3du8 h SER 368 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3du8 h SER 368 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3du8 h SER 368 CO 0.00 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.42 3du8 n SER 369 N -3.24 0.39 -2.65 4.97 3.41 -1.26 -4.43 113.62 110.81 3du8 n SER 369 Ca -0.03 0.56 -0.04 0.00 -0.26 0.00 0.00 58.87 59.11 3du8 n SER 369 Cb 0.09 -0.66 0.09 0.00 -0.26 0.00 0.00 64.21 63.47 3du8 n SER 369 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3du8 n ASN 370 N -1.89 -1.00 -0.34 4.04 2.85 -0.17 -5.07 115.26 113.68 3du8 n ASN 370 Ca 0.04 -1.50 0.20 0.00 -0.11 0.00 0.00 54.58 53.22 3du8 n ASN 370 Cb 0.29 0.58 0.45 0.00 1.24 0.00 0.00 39.78 42.33 3du8 n ASN 370 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3du8 h PRO 371 N 2.85 0.47 0.00 1.20 0.11 -1.58 -1.89 132.00 133.17 3du8 h PRO 371 Ca -0.27 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3du8 h PRO 371 Cb 1.24 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3du8 h PRO 371 CO -0.25 0.31 0.32 -1.35 -0.21 0.00 0.00 178.00 176.82 3du8 h PRO 372 N 0.49 0.00 0.00 1.05 0.11 -1.98 -1.80 132.00 129.87 3du8 h PRO 372 Ca 0.63 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3du8 h PRO 372 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 3du8 h PRO 372 CO -0.40 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.32 3du8 h LEU 373 N 0.00 0.00 -1.96 2.35 3.38 -1.70 -3.06 115.31 114.32 3du8 h LEU 373 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 3du8 h LEU 373 Cb 0.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3du8 h LEU 373 CO 0.00 0.00 0.74 0.00 0.09 0.00 0.00 178.44 179.27 3du8 h ALA 374 N 2.02 2.90 0.00 1.53 0.00 -1.55 0.14 119.26 124.30 3du8 h ALA 374 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3du8 h ALA 374 Cb 0.31 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3du8 h ALA 374 CO 0.00 -1.25 -0.08 1.79 0.00 0.00 0.00 179.25 179.71 3du8 h THR 375 N 0.00 0.14 0.13 0.00 1.35 -1.80 -1.54 112.91 111.18 3du8 h THR 375 Ca 0.47 -1.13 -0.28 0.00 -0.55 0.00 0.00 66.41 64.91 3du8 h THR 375 Cb 1.95 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 3du8 h THR 375 CO -0.00 0.08 -1.42 0.40 -0.25 0.00 0.00 175.52 174.32 3du8 h ILE 376 N 0.00 1.05 -0.06 6.82 2.04 -1.07 -3.42 117.51 122.87 3du8 h ILE 376 Ca -0.00 -2.43 -0.19 0.00 1.00 0.00 0.00 64.86 63.24 3du8 h ILE 376 Cb 1.00 2.76 -0.00 0.00 -0.74 0.00 0.00 36.82 39.84 3du8 h ILE 376 CO 0.01 0.73 -0.76 -0.07 0.00 0.00 0.00 178.15 178.06 3du8 h LEU 377 N -0.25 0.47 -7.95 1.44 3.38 -0.71 -3.38 115.31 108.31 3du8 h LEU 377 Ca -0.30 -0.32 -0.74 0.00 0.09 0.00 0.00 57.88 56.61 3du8 h LEU 377 Cb 1.80 -0.14 -0.28 0.00 0.09 0.00 0.00 40.66 42.13 3du8 h LEU 377 CO 0.08 1.07 -0.28 -0.63 0.09 0.00 0.00 178.44 178.77 3du8 s ILE 378 N -3.56 4.64 0.75 1.22 1.01 -0.59 -4.86 121.20 119.81 3du8 s ILE 378 Ca -0.05 -1.87 -0.11 0.00 0.00 0.00 0.00 60.65 58.62 3du8 s ILE 378 Cb 0.10 -4.00 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3du8 s ILE 378 CO 0.84 -0.84 1.08 -2.16 0.00 0.00 0.00 174.94 173.86 3du8 s PRO 379 N 1.18 2.47 0.29 2.79 0.04 -1.26 -4.78 135.00 135.74 3du8 s PRO 379 Ca 0.07 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.14 3du8 s PRO 379 Cb -0.25 -1.93 0.76 0.00 0.04 0.00 0.00 34.50 33.11 3du8 s PRO 379 CO -0.01 -1.44 1.44 -2.30 0.04 0.00 0.00 177.00 174.73 3du8 n PRO 380 N -3.36 -0.07 0.07 0.56 -0.02 -1.26 -0.82 135.00 130.09 3du8 n PRO 380 Ca 0.08 1.37 0.13 0.00 -2.02 0.00 0.00 63.50 63.06 3du8 n PRO 380 Cb 0.54 -2.20 0.48 0.00 -0.02 0.00 0.00 33.50 32.30 3du8 n PRO 380 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 3du8 n HIS 381 N -5.33 0.60 1.73 6.00 1.44 -1.26 -5.23 115.22 113.17 3du8 n HIS 381 Ca 0.23 0.17 0.14 0.00 -2.01 0.00 0.00 57.72 56.25 3du8 n HIS 381 Cb 0.75 -0.78 0.82 0.00 0.12 0.00 0.00 29.99 30.90 3du8 n HIS 381 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53