#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b57 s LYS 2 N 0.00 1.22 0.30 4.33 -0.14 -1.26 -4.97 119.74 119.22 1b57 s LYS 2 Ca 0.00 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 1b57 s LYS 2 Cb 0.00 -1.51 0.51 0.00 -1.68 0.00 0.00 37.83 35.15 1b57 s LYS 2 CO 0.00 0.36 1.91 0.82 -0.76 0.00 0.00 175.35 177.68 1b57 h ILE 3 N 4.08 1.07 -0.01 2.17 1.08 -1.10 -0.85 117.51 123.96 1b57 h ILE 3 Ca -0.47 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1b57 h ILE 3 Cb 1.17 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1b57 h ILE 3 CO 0.40 0.19 0.00 0.49 -0.69 0.00 0.00 178.15 178.54 1b57 n PHE 4 N -4.49 0.01 0.19 1.37 3.72 0.43 -1.51 117.46 117.18 1b57 n PHE 4 Ca 0.14 -0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.58 1b57 n PHE 4 Cb 0.19 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.13 1b57 n PHE 4 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1b57 h ASP 5 N 0.34 0.00 0.00 4.37 3.32 -1.36 -3.35 116.42 119.74 1b57 h ASP 5 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1b57 h ASP 5 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1b57 h ASP 5 CO 0.00 0.36 -1.46 0.49 -1.72 0.00 0.00 179.24 176.91 1b57 n PHE 6 N -3.92 0.00 -4.44 4.55 3.72 -0.57 -5.08 117.46 111.72 1b57 n PHE 6 Ca -0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.17 1b57 n PHE 6 Cb 0.42 -0.32 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1b57 n PHE 6 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1b57 s VAL 7 N -2.16 1.42 0.32 -4.37 -7.23 -0.76 -5.06 120.40 102.56 1b57 s VAL 7 Ca -0.07 -2.06 0.09 0.00 -1.81 0.00 0.00 61.98 58.13 1b57 s VAL 7 Cb 0.02 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 1b57 s VAL 7 CO 0.23 -0.17 0.07 -0.54 -0.31 0.00 0.00 175.10 174.38 1b57 s LYS 8 N -3.80 2.29 0.62 4.82 1.02 -1.26 -4.23 119.74 119.19 1b57 s LYS 8 Ca 0.32 -1.55 -0.18 0.00 0.02 0.00 0.00 55.97 54.58 1b57 s LYS 8 Cb 0.06 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.22 1b57 s LYS 8 CO 0.13 0.19 1.04 -2.30 -0.92 0.00 0.00 175.35 173.49 1b57 n PRO 9 N -1.04 0.91 0.00 -1.68 -0.02 -1.26 -4.54 135.00 127.37 1b57 n PRO 9 Ca -0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1b57 n PRO 9 Cb 0.61 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1b57 n PRO 9 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b57 n GLY 10 N 1.20 0.58 3.70 -1.23 0.00 -0.48 -4.73 105.19 104.23 1b57 n GLY 10 Ca 0.15 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 1b57 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b57 s VAL 11 N -0.92 5.01 -0.17 1.61 1.01 -1.26 -0.69 120.40 124.99 1b57 s VAL 11 Ca 0.00 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.22 1b57 s VAL 11 Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1b57 s VAL 11 CO 0.00 0.19 0.58 -0.63 0.00 0.00 0.00 175.10 175.24 1b57 s ILE 12 N 1.21 5.07 0.33 2.22 -1.09 0.89 -4.88 121.20 124.95 1b57 s ILE 12 Ca 0.36 1.11 0.06 0.00 -2.23 0.00 0.00 60.65 59.96 1b57 s ILE 12 Cb -0.17 -3.91 -0.02 0.00 -1.58 0.00 0.00 42.46 36.78 1b57 s ILE 12 CO 0.16 0.17 0.22 0.35 -1.23 0.00 0.00 174.94 174.62 1b57 n THR 13 N 4.42 0.00 -4.80 2.92 -2.24 -1.26 -4.55 114.28 108.77 1b57 n THR 13 Ca -0.03 -2.26 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 1b57 n THR 13 Cb 0.50 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1b57 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b57 n GLY 14 N -0.61 1.66 0.00 3.38 0.00 -0.66 -2.76 105.19 106.21 1b57 n GLY 14 Ca 0.03 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1b57 n GLY 14 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b57 n ASP 15 N -0.17 0.00 0.24 1.61 8.00 -1.26 -2.08 116.55 122.89 1b57 n ASP 15 Ca 0.00 0.33 0.08 0.00 0.71 0.00 0.00 54.79 55.91 1b57 n ASP 15 Cb 0.00 -0.44 0.61 0.00 -0.02 0.00 0.00 41.12 41.27 1b57 n ASP 15 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1b57 h ASP 16 N 0.00 0.00 -0.38 -2.24 3.32 -1.91 -1.38 116.42 113.82 1b57 h ASP 16 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1b57 h ASP 16 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1b57 h ASP 16 CO 0.00 0.15 0.18 0.58 -1.72 0.00 0.00 179.24 178.43 1b57 h VAL 17 N 0.00 1.17 -0.08 -1.35 2.07 -1.56 -1.38 116.25 115.12 1b57 h VAL 17 Ca -0.00 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1b57 h VAL 17 Cb 0.30 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1b57 h VAL 17 CO 0.02 0.18 -0.25 1.56 0.02 0.00 0.00 177.57 179.10 1b57 h GLN 18 N 0.48 0.14 -0.24 1.57 7.50 -1.61 -2.22 115.11 120.74 1b57 h GLN 18 Ca 0.13 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.22 1b57 h GLN 18 Cb 0.12 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1b57 h GLN 18 CO -0.02 0.39 0.09 0.87 -1.50 0.00 0.00 178.83 178.66 1b57 h LYS 19 N 0.13 0.36 -0.76 1.46 1.57 -1.08 0.15 116.57 118.39 1b57 h LYS 19 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1b57 h LYS 19 Cb 0.52 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1b57 h LYS 19 CO 0.04 0.42 0.50 0.28 -0.57 0.00 0.00 179.45 180.11 1b57 h VAL 20 N 0.22 1.20 -0.09 0.50 2.07 -0.97 -1.50 116.25 117.69 1b57 h VAL 20 Ca 0.08 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.12 1b57 h VAL 20 Cb 0.20 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1b57 h VAL 20 CO -0.01 0.20 -0.37 -0.26 0.02 0.00 0.00 177.57 177.16 1b57 h PHE 21 N 1.04 0.20 -0.58 1.57 0.04 -0.92 -1.85 116.94 116.44 1b57 h PHE 21 Ca 0.28 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 1b57 h PHE 21 Cb -0.10 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1b57 h PHE 21 CO -0.02 0.53 0.08 0.37 -0.60 0.00 0.00 178.31 178.67 1b57 h GLN 22 N 0.16 0.97 -0.59 1.51 4.15 -0.29 -2.04 115.11 118.98 1b57 h GLN 22 Ca 0.02 -0.27 -0.10 0.00 0.77 0.00 0.00 58.65 59.07 1b57 h GLN 22 Cb 0.72 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.28 1b57 h GLN 22 CO 0.05 0.93 -0.02 0.28 -1.93 0.00 0.00 178.83 178.15 1b57 h VAL 23 N 0.87 1.27 -0.00 2.39 2.07 -1.18 0.12 116.25 121.78 1b57 h VAL 23 Ca 0.17 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1b57 h VAL 23 Cb 0.44 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1b57 h VAL 23 CO 0.01 0.42 -0.14 0.00 0.02 0.00 0.00 177.57 177.89 1b57 h ALA 24 N 1.01 -0.16 -0.82 1.67 0.00 -1.05 -0.49 119.26 119.41 1b57 h ALA 24 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1b57 h ALA 24 Cb 0.58 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 1b57 h ALA 24 CO 0.03 -0.63 0.35 0.87 0.00 0.00 0.00 179.25 179.87 1b57 h LYS 25 N -0.23 1.21 0.00 0.00 1.57 -0.92 0.54 116.57 118.74 1b57 h LYS 25 Ca 0.05 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1b57 h LYS 25 Cb 0.30 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1b57 h LYS 25 CO -0.14 0.96 -0.05 1.49 -0.57 0.00 0.00 179.45 181.14 1b57 h GLU 26 N 1.19 0.00 -0.13 3.15 4.81 -0.77 -0.33 114.58 122.51 1b57 h GLU 26 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1b57 h GLU 26 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1b57 h GLU 26 CO -0.03 0.05 0.00 0.09 -0.73 0.00 0.00 179.01 178.39 1b57 n ASN 27 N -3.41 2.23 -3.11 1.04 3.02 -0.21 -4.94 115.26 109.88 1b57 n ASN 27 Ca -0.02 -1.64 -0.16 0.00 -0.03 0.00 0.00 54.58 52.73 1b57 n ASN 27 Cb 0.18 -0.08 0.08 0.00 -0.61 0.00 0.00 39.78 39.35 1b57 n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1b57 n ASN 28 N 0.54 -2.85 -4.27 6.41 2.85 0.36 -5.03 115.26 113.27 1b57 n ASN 28 Ca 0.08 -0.52 -0.15 0.00 -0.11 0.00 0.00 54.58 53.88 1b57 n ASN 28 Cb 0.32 -4.47 -0.10 0.00 1.24 0.00 0.00 39.78 36.76 1b57 n ASN 28 CO 0.00 0.00 0.00 0.72 -2.11 0.00 0.00 177.26 175.87 1b57 s PHE 29 N -3.30 1.37 0.21 1.20 -0.12 0.16 -4.73 117.98 112.77 1b57 s PHE 29 Ca 0.11 -1.18 0.02 0.00 -0.05 0.00 0.00 56.93 55.83 1b57 s PHE 29 Cb -0.05 -0.78 -0.05 0.00 -0.63 0.00 0.00 43.02 41.52 1b57 s PHE 29 CO 0.63 -0.37 0.02 0.00 -0.05 0.00 0.00 175.22 175.45 1b57 s ALA 30 N -3.82 1.57 -0.13 1.99 0.00 -0.96 -4.29 121.76 116.12 1b57 s ALA 30 Ca 0.34 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.49 1b57 s ALA 30 Cb 0.07 0.66 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1b57 s ALA 30 CO 0.11 -0.34 0.22 -0.51 0.00 0.00 0.00 175.76 175.24 1b57 s LEU 31 N -3.24 4.32 0.33 0.00 1.43 -0.51 -4.64 118.68 116.36 1b57 s LEU 31 Ca 0.29 0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 53.61 1b57 s LEU 31 Cb 0.06 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 1b57 s LEU 31 CO 0.08 0.26 1.14 -2.16 0.23 0.00 0.00 176.35 175.90 1b57 s PRO 32 N -0.32 4.41 -0.23 1.29 0.04 -1.26 -1.56 135.00 137.37 1b57 s PRO 32 Ca 0.15 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1b57 s PRO 32 Cb -0.13 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.48 1b57 s PRO 32 CO 0.04 -0.01 -0.08 0.00 0.04 0.00 0.00 177.00 176.99 1b57 s ALA 33 N -1.27 2.08 -0.13 8.56 0.00 0.39 -2.20 121.76 129.18 1b57 s ALA 33 Ca 0.49 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 1b57 s ALA 33 Cb -0.32 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.37 1b57 s ALA 33 CO 0.41 -1.06 -0.08 0.08 0.00 0.00 0.00 175.76 175.11 1b57 s VAL 34 N 1.34 3.55 0.07 0.00 1.01 -0.83 0.05 120.40 125.59 1b57 s VAL 34 Ca -0.05 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.15 1b57 s VAL 34 Cb -0.18 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1b57 s VAL 34 CO -0.07 0.52 0.94 0.20 0.00 0.00 0.00 175.10 176.69 1b57 s ASN 35 N 0.20 7.42 0.22 3.32 0.01 -1.14 -1.40 114.94 123.57 1b57 s ASN 35 Ca -0.05 1.71 0.12 0.00 -0.71 0.00 0.00 52.86 53.92 1b57 s ASN 35 Cb -0.14 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.91 1b57 s ASN 35 CO 0.04 -0.10 -0.23 0.00 -1.51 0.00 0.00 177.10 175.30 1b57 n VAL 37 N 0.01 1.08 -2.29 0.00 0.24 -1.26 -4.61 118.33 111.49 1b57 n VAL 37 Ca -0.10 -1.47 0.00 0.00 -2.04 0.00 0.00 64.34 60.72 1b57 n VAL 37 Cb 0.57 0.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.09 1b57 n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1b57 n GLY 38 N -0.70 -1.72 0.25 7.63 0.00 -1.26 -4.27 105.19 105.12 1b57 n GLY 38 Ca 0.10 -1.14 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1b57 n GLY 38 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1b57 h THR 39 N 0.00 1.22 -0.05 2.61 1.35 -1.99 -2.27 112.91 113.78 1b57 h THR 39 Ca 0.00 -0.99 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 1b57 h THR 39 Cb 0.00 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1b57 h THR 39 CO 0.00 0.32 0.00 0.44 -0.25 0.00 0.00 175.52 176.03 1b57 h ASP 40 N 0.39 0.08 -0.37 5.36 3.32 -1.99 -0.51 116.42 122.69 1b57 h ASP 40 Ca 0.07 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1b57 h ASP 40 Cb 0.48 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1b57 h ASP 40 CO 0.03 0.35 0.01 0.77 -1.72 0.00 0.00 179.24 178.68 1b57 h SER 41 N -0.20 0.64 -0.30 6.45 4.64 -1.93 -1.92 113.55 120.93 1b57 h SER 41 Ca 0.01 -0.30 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 1b57 h SER 41 Cb 0.31 -0.17 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 1b57 h SER 41 CO 0.00 0.78 -0.04 0.40 -0.87 0.00 0.00 176.83 177.11 1b57 h ILE 42 N 0.48 0.74 -0.32 0.95 2.04 -1.35 -2.10 117.51 117.95 1b57 h ILE 42 Ca 0.11 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.88 1b57 h ILE 42 Cb 0.45 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1b57 h ILE 42 CO 0.02 0.01 -0.10 0.78 0.00 0.00 0.00 178.15 178.86 1b57 h ASN 43 N 0.04 0.51 -0.58 1.72 2.35 -1.02 -1.53 115.58 117.07 1b57 h ASN 43 Ca 0.15 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1b57 h ASN 43 Cb 0.21 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1b57 h ASN 43 CO -0.28 0.65 0.22 0.00 -1.65 0.00 0.00 177.43 176.37 1b57 h ALA 44 N 1.40 1.23 -0.01 -0.83 0.00 -0.90 -1.18 119.26 118.98 1b57 h ALA 44 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b57 h ALA 44 Cb 0.47 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1b57 h ALA 44 CO 0.03 0.55 -0.00 0.28 0.00 0.00 0.00 179.25 180.11 1b57 h VAL 45 N 0.89 1.29 -0.95 0.00 2.07 -0.92 -1.26 116.25 117.37 1b57 h VAL 45 Ca 0.21 -0.86 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1b57 h VAL 45 Cb 0.21 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1b57 h VAL 45 CO -0.01 0.22 0.60 -0.07 0.02 0.00 0.00 177.57 178.33 1b57 h LEU 46 N -0.35 0.96 -0.14 2.57 3.38 -1.18 -2.14 115.31 118.41 1b57 h LEU 46 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1b57 h LEU 46 Cb 0.37 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1b57 h LEU 46 CO 0.00 0.61 0.03 -0.08 0.09 0.00 0.00 178.44 179.09 1b57 h GLU 47 N 1.10 0.23 -0.61 1.13 4.81 -1.10 -1.55 114.58 118.59 1b57 h GLU 47 Ca 0.41 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.64 1b57 h GLU 47 Cb 0.17 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1b57 h GLU 47 CO -0.18 0.40 0.32 1.15 -0.73 0.00 0.00 179.01 179.97 1b57 h THR 48 N 0.03 0.95 -0.28 0.32 2.02 -0.94 -1.06 112.91 113.95 1b57 h THR 48 Ca 0.04 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1b57 h THR 48 Cb 0.27 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1b57 h THR 48 CO 0.00 0.11 0.18 0.00 0.37 0.00 0.00 175.52 176.18 1b57 h ALA 49 N 1.33 0.35 -0.69 6.16 0.00 -1.15 -0.86 119.26 124.40 1b57 h ALA 49 Ca 0.27 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1b57 h ALA 49 Cb 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1b57 h ALA 49 CO -0.18 -0.17 0.41 0.00 0.00 0.00 0.00 179.25 179.31 1b57 h ALA 50 N 1.09 0.92 -0.66 0.00 0.00 -1.11 0.82 119.26 120.31 1b57 h ALA 50 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1b57 h ALA 50 Cb -0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1b57 h ALA 50 CO -0.02 0.13 0.13 -0.22 0.00 0.00 0.00 179.25 179.27 1b57 h LYS 51 N 0.77 1.07 0.00 0.00 3.64 -0.44 -3.20 116.57 118.41 1b57 h LYS 51 Ca 0.30 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1b57 h LYS 51 Cb 0.12 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1b57 h LYS 51 CO -0.15 0.97 -0.93 1.33 -2.27 0.00 0.00 179.45 178.39 1b57 n VAL 52 N -4.22 0.07 -2.65 2.00 0.24 -0.40 -4.99 118.33 108.37 1b57 n VAL 52 Ca 0.05 -0.12 -0.03 0.00 -2.04 0.00 0.00 64.34 62.19 1b57 n VAL 52 Cb 0.27 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1b57 n VAL 52 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1b57 n LYS 53 N -1.72 -1.52 -3.59 7.34 5.02 0.24 -0.63 118.16 123.31 1b57 n LYS 53 Ca 0.03 1.57 -0.15 0.00 -2.02 0.00 0.00 58.31 57.74 1b57 n LYS 53 Cb 0.38 -4.86 -0.06 0.00 -0.02 0.00 0.00 35.03 30.47 1b57 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b57 s ALA 54 N -2.61 -1.36 1.04 7.82 0.00 -0.98 -1.51 121.76 124.17 1b57 s ALA 54 Ca 0.11 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1b57 s ALA 54 Cb -0.03 0.21 0.21 0.00 0.00 0.00 0.00 23.12 23.51 1b57 s ALA 54 CO 0.60 -0.42 1.08 -1.25 0.00 0.00 0.00 175.76 175.77 1b57 s PRO 55 N -1.87 0.07 0.18 0.00 0.05 -1.26 -4.65 135.00 127.51 1b57 s PRO 55 Ca -0.08 1.09 -0.15 0.00 0.05 0.00 0.00 61.00 61.91 1b57 s PRO 55 Cb -0.01 -1.65 0.02 0.00 0.05 0.00 0.00 34.50 32.91 1b57 s PRO 55 CO 0.03 -3.14 0.43 0.54 0.05 0.00 0.00 177.00 174.92 1b57 s VAL 56 N -2.59 0.05 -0.18 -0.36 0.11 -1.14 -4.76 120.40 111.51 1b57 s VAL 56 Ca 0.67 -0.94 -0.00 0.00 -2.93 0.00 0.00 61.98 58.78 1b57 s VAL 56 Cb -0.23 -1.60 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1b57 s VAL 56 CO 0.61 -0.20 -0.15 -0.63 -3.33 0.00 0.00 175.10 171.39 1b57 s ILE 57 N -3.89 2.49 -0.21 7.04 1.01 -0.94 -1.03 121.20 125.68 1b57 s ILE 57 Ca 0.11 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1b57 s ILE 57 Cb 0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1b57 s ILE 57 CO -0.03 0.51 0.28 -0.69 0.00 0.00 0.00 174.94 175.01 1b57 s VAL 58 N 1.24 5.28 0.19 2.92 1.01 -0.56 -1.97 120.40 128.51 1b57 s VAL 58 Ca 0.03 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1b57 s VAL 58 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1b57 s VAL 58 CO -0.08 0.32 0.01 0.00 0.00 0.00 0.00 175.10 175.35 1b57 s GLN 59 N 1.03 1.18 -0.03 2.72 -2.07 -0.49 -1.71 119.66 120.30 1b57 s GLN 59 Ca 0.14 -1.58 0.05 0.00 -1.82 0.00 0.00 55.36 52.15 1b57 s GLN 59 Cb -0.14 -0.32 -0.01 0.00 -1.09 0.00 0.00 33.01 31.45 1b57 s GLN 59 CO 0.05 -0.15 -0.18 -0.06 -1.32 0.00 0.00 175.29 173.64 1b57 s PHE 60 N -3.63 1.65 0.54 9.60 0.08 -0.94 -1.07 117.98 124.20 1b57 s PHE 60 Ca 0.26 -0.38 -0.06 0.00 0.12 0.00 0.00 56.93 56.87 1b57 s PHE 60 Cb 0.06 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 1b57 s PHE 60 CO 0.06 -0.08 0.86 -1.54 -0.10 0.00 0.00 175.22 174.42 1b57 s SER 61 N -0.23 6.05 0.32 1.36 1.04 -1.26 -0.55 113.70 120.43 1b57 s SER 61 Ca 0.02 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.39 1b57 s SER 61 Cb -0.09 -2.12 0.51 0.00 0.10 0.00 0.00 66.02 64.42 1b57 s SER 61 CO 0.00 -0.77 1.98 -1.13 0.98 0.00 0.00 173.24 174.30 1b57 h ASN 62 N 0.01 0.87 -0.12 7.02 -1.24 -1.86 0.13 115.58 120.39 1b57 h ASN 62 Ca -0.46 -0.03 -0.15 0.00 0.71 0.00 0.00 56.30 56.37 1b57 h ASN 62 Cb 1.22 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1b57 h ASN 62 CO 0.61 0.63 -0.45 1.23 -1.29 0.00 0.00 177.43 178.17 1b57 h GLY 63 N 1.02 0.73 1.25 1.57 0.00 -1.96 -2.42 103.07 103.26 1b57 h GLY 63 Ca 0.27 -0.77 -0.24 0.00 0.00 0.00 0.00 47.33 46.60 1b57 h GLY 63 CO -0.06 0.69 -0.88 -1.33 0.00 0.00 0.00 176.54 174.97 1b57 h GLY 64 N 0.97 0.79 1.00 4.60 0.00 -1.81 -2.34 103.07 106.28 1b57 h GLY 64 Ca 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.14 1b57 h GLY 64 CO 0.09 1.08 0.36 0.00 0.00 0.00 0.00 176.54 178.07 1b57 h ALA 65 N 0.55 0.81 0.00 3.60 0.00 -0.97 -2.19 119.26 121.05 1b57 h ALA 65 Ca -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b57 h ALA 65 Cb 1.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1b57 h ALA 65 CO 0.17 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.40 1b57 h SER 66 N 0.86 0.00 0.01 0.00 4.64 -1.37 -2.49 113.55 115.20 1b57 h SER 66 Ca 0.22 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.45 1b57 h SER 66 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1b57 h SER 66 CO -0.04 0.00 -0.27 0.15 -0.87 0.00 0.00 176.83 175.80 1b57 h PHE 67 N 0.00 0.45 0.00 4.77 3.57 -1.02 -1.82 116.94 122.90 1b57 h PHE 67 Ca 0.00 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 1b57 h PHE 67 Cb 0.71 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1b57 h PHE 67 CO 0.00 0.64 -0.44 0.82 -2.23 0.00 0.00 178.31 177.10 1b57 h ILE 68 N 0.36 1.17 0.00 1.41 2.04 -0.94 -1.01 117.51 120.54 1b57 h ILE 68 Ca 0.05 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.28 1b57 h ILE 68 Cb 0.66 1.90 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1b57 h ILE 68 CO 0.05 0.44 -0.25 0.00 0.00 0.00 0.00 178.15 178.38 1b57 h ALA 69 N 1.56 0.86 0.00 1.87 0.00 -1.27 -3.46 119.26 118.83 1b57 h ALA 69 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b57 h ALA 69 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1b57 h ALA 69 CO 0.06 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1b57 n GLY 70 N 1.15 1.97 0.03 0.00 0.00 -0.38 -4.55 105.19 103.41 1b57 n GLY 70 Ca 0.03 -1.47 0.07 0.00 0.00 0.00 0.00 46.02 44.65 1b57 n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b57 n LYS 71 N 2.47 0.04 -0.15 1.61 5.02 -1.26 -1.07 118.16 124.82 1b57 n LYS 71 Ca 0.00 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 56.75 1b57 n LYS 71 Cb 0.00 -1.59 0.19 0.00 -0.02 0.00 0.00 35.03 33.61 1b57 n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b57 n GLY 72 N -0.32 1.58 3.57 0.72 0.00 -1.26 -4.98 105.19 104.50 1b57 n GLY 72 Ca 0.02 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 1b57 n GLY 72 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1b57 n VAL 73 N 1.47 0.00 -3.90 1.61 0.24 -0.23 -4.96 118.33 112.56 1b57 n VAL 73 Ca 0.18 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.34 61.98 1b57 n VAL 73 Cb 0.61 -0.94 -0.14 0.00 -1.47 0.00 0.00 33.84 31.90 1b57 n VAL 73 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1b57 s LYS 74 N -4.42 2.39 -0.28 7.34 0.00 -1.26 -5.02 119.74 118.49 1b57 s LYS 74 Ca 0.66 -1.31 -0.15 0.00 0.00 0.00 0.00 55.97 55.18 1b57 s LYS 74 Cb -0.23 -3.21 -0.03 0.00 0.00 0.00 0.00 37.83 34.35 1b57 s LYS 74 CO 0.61 -0.65 0.37 -1.54 0.00 0.00 0.00 175.35 174.14 1b57 s SER 75 N 1.29 6.23 0.00 0.03 1.04 -1.26 -4.98 113.70 116.05 1b57 s SER 75 Ca -0.04 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1b57 s SER 75 Cb -0.20 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1b57 s SER 75 CO -0.01 -0.21 0.66 -0.90 0.98 0.00 0.00 173.24 173.76 1b57 n ASP 76 N 5.34 0.00 -4.83 7.02 5.68 -1.26 -4.90 116.55 123.61 1b57 n ASP 76 Ca -0.09 0.81 -0.32 0.00 -0.50 0.00 0.00 54.79 54.68 1b57 n ASP 76 Cb 0.51 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 1b57 n ASP 76 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1b57 s VAL 77 N -2.25 4.32 0.07 2.12 -7.23 -1.26 -4.96 120.40 111.21 1b57 s VAL 77 Ca 0.00 1.18 -0.32 0.00 -1.81 0.00 0.00 61.98 61.02 1b57 s VAL 77 Cb 0.00 -3.62 -0.11 0.00 0.56 0.00 0.00 36.38 33.21 1b57 s VAL 77 CO 0.00 -0.57 1.81 -0.81 -0.31 0.00 0.00 175.10 175.22 1b57 n PRO 78 N -1.50 2.52 -1.32 4.82 -0.04 -1.26 -1.50 135.00 136.71 1b57 n PRO 78 Ca 0.07 0.92 -0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1b57 n PRO 78 Cb 0.54 -2.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.17 1b57 n PRO 78 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1b57 n GLN 79 N 5.66 -0.86 -0.26 0.54 1.13 -1.26 -4.65 117.38 117.69 1b57 n GLN 79 Ca 0.19 0.87 -0.02 0.00 -1.94 0.00 0.00 57.00 56.10 1b57 n GLN 79 Cb 0.34 -4.87 0.16 0.00 0.11 0.00 0.00 30.24 25.98 1b57 n GLN 79 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1b57 h GLY 80 N 0.00 1.17 1.11 1.08 0.00 -1.63 -0.42 103.07 104.38 1b57 h GLY 80 Ca -0.23 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 1b57 h GLY 80 CO 0.33 0.50 0.04 0.00 0.00 0.00 0.00 176.54 177.41 1b57 h ALA 81 N 1.37 0.88 -0.08 3.60 0.00 -1.90 -0.27 119.26 122.86 1b57 h ALA 81 Ca 0.28 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1b57 h ALA 81 Cb 0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1b57 h ALA 81 CO -0.04 0.67 -0.54 0.00 0.00 0.00 0.00 179.25 179.33 1b57 h ALA 82 N 1.04 0.94 -0.02 0.00 0.00 -1.64 -0.59 119.26 118.98 1b57 h ALA 82 Ca 0.18 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1b57 h ALA 82 Cb 0.52 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b57 h ALA 82 CO 0.02 0.69 -0.00 0.82 0.00 0.00 0.00 179.25 180.78 1b57 h ILE 83 N 0.18 1.30 -0.44 0.00 2.04 -0.84 -2.41 117.51 117.33 1b57 h ILE 83 Ca 0.00 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1b57 h ILE 83 Cb 1.01 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1b57 h ILE 83 CO 0.08 0.24 0.22 -0.07 0.00 0.00 0.00 178.15 178.62 1b57 h LEU 84 N -0.33 0.57 -0.51 1.44 3.38 -0.72 -2.00 115.31 117.14 1b57 h LEU 84 Ca 0.00 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1b57 h LEU 84 Cb 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1b57 h LEU 84 CO 0.00 0.52 0.14 1.23 0.09 0.00 0.00 178.44 180.43 1b57 h GLY 85 N 0.57 0.87 1.06 0.83 0.00 -1.17 -1.88 103.07 103.35 1b57 h GLY 85 Ca 0.15 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1b57 h GLY 85 CO -0.02 0.50 0.15 0.00 0.00 0.00 0.00 176.54 177.17 1b57 h ALA 86 N 1.01 0.92 -0.63 3.60 0.00 -1.37 0.53 119.26 123.32 1b57 h ALA 86 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1b57 h ALA 86 Cb 0.31 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1b57 h ALA 86 CO -0.00 0.66 0.32 0.82 0.00 0.00 0.00 179.25 181.05 1b57 h ILE 87 N 1.06 1.21 -0.37 0.00 2.04 -1.14 -0.96 117.51 119.36 1b57 h ILE 87 Ca 0.22 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.37 1b57 h ILE 87 Cb 0.39 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1b57 h ILE 87 CO 0.01 0.24 -0.29 -1.28 0.00 0.00 0.00 178.15 176.82 1b57 h SER 88 N 0.87 0.89 -0.56 1.72 0.87 -0.92 -0.91 113.55 115.51 1b57 h SER 88 Ca 0.22 -0.45 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 1b57 h SER 88 Cb 0.09 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1b57 h SER 88 CO -0.03 1.15 0.24 1.23 -0.53 0.00 0.00 176.83 178.89 1b57 h GLY 89 N 0.64 0.93 0.96 5.77 0.00 -0.85 -1.59 103.07 108.93 1b57 h GLY 89 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1b57 h GLY 89 CO 0.08 0.44 0.16 0.00 0.00 0.00 0.00 176.54 177.22 1b57 h ALA 90 N 1.41 0.59 -0.31 3.60 0.00 -0.97 -1.76 119.26 121.82 1b57 h ALA 90 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1b57 h ALA 90 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1b57 h ALA 90 CO -0.02 0.22 0.06 0.45 0.00 0.00 0.00 179.25 179.96 1b57 h HIS 91 N 0.59 0.45 -0.62 0.00 3.86 -0.64 -0.49 115.15 118.30 1b57 h HIS 91 Ca 0.15 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.26 1b57 h HIS 91 Cb 0.23 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1b57 h HIS 91 CO 0.01 0.41 0.11 1.25 0.86 0.00 0.00 177.93 180.56 1b57 h HIS 92 N 0.44 1.09 -0.22 2.45 6.17 -0.88 -0.32 115.15 123.89 1b57 h HIS 92 Ca 0.10 -0.15 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 1b57 h HIS 92 Cb 0.20 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 29.82 1b57 h HIS 92 CO 0.01 0.93 0.11 0.28 0.71 0.00 0.00 177.93 179.97 1b57 h VAL 93 N 0.94 1.13 -0.41 5.26 2.07 -0.68 -0.74 116.25 123.81 1b57 h VAL 93 Ca 0.19 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1b57 h VAL 93 Cb 0.42 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1b57 h VAL 93 CO 0.01 0.13 0.25 0.45 0.02 0.00 0.00 177.57 178.43 1b57 h HIS 94 N 0.23 0.53 -0.10 1.57 -0.00 -0.88 -0.32 115.15 116.18 1b57 h HIS 94 Ca 0.08 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.44 1b57 h HIS 94 Cb 0.11 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1b57 h HIS 94 CO -0.03 0.35 -0.00 0.37 -0.00 0.00 0.00 177.93 178.62 1b57 h GLN 95 N 0.56 0.17 0.03 2.45 5.75 -0.64 -3.38 115.11 120.05 1b57 h GLN 95 Ca 0.15 -0.06 -0.33 0.00 -0.15 0.00 0.00 58.65 58.26 1b57 h GLN 95 Cb -0.03 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.46 1b57 h GLN 95 CO -0.03 0.43 -1.98 -1.33 -2.65 0.00 0.00 178.83 173.27 1b57 n MET 96 N -4.82 0.67 -0.15 1.69 2.81 -0.32 -4.68 117.12 112.33 1b57 n MET 96 Ca -0.06 0.22 -0.04 0.00 -1.81 0.00 0.00 57.70 56.01 1b57 n MET 96 Cb 0.20 -1.69 0.05 0.00 -0.71 0.00 0.00 33.22 31.07 1b57 n MET 96 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1b57 h ALA 97 N 0.69 0.55 0.00 3.04 0.00 -1.25 -0.98 119.26 121.31 1b57 h ALA 97 Ca -0.40 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1b57 h ALA 97 Cb 2.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 1b57 h ALA 97 CO 0.06 -0.25 -0.04 1.05 0.00 0.00 0.00 179.25 180.07 1b57 h GLU 98 N 0.31 0.00 0.00 0.00 4.11 -1.83 -1.69 114.58 115.47 1b57 h GLU 98 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1b57 h GLU 98 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1b57 h GLU 98 CO -0.24 0.04 -0.40 0.45 0.07 0.00 0.00 179.01 178.93 1b57 h HIS 99 N 0.00 0.00 0.00 2.06 3.86 -1.48 -2.00 115.15 117.59 1b57 h HIS 99 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1b57 h HIS 99 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1b57 h HIS 99 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 1b57 n TYR 100 N -2.76 0.59 -1.19 2.45 4.02 -0.70 -4.96 117.16 114.61 1b57 n TYR 100 Ca 0.03 0.18 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1b57 n TYR 100 Cb 0.52 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 1b57 n TYR 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1b57 n GLY 101 N 1.14 0.42 3.14 2.72 0.00 -0.75 -4.75 105.19 107.10 1b57 n GLY 101 Ca 0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.86 1b57 n GLY 101 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b57 s VAL 102 N -2.00 1.13 0.14 1.61 -7.23 -1.16 -4.81 120.40 108.08 1b57 s VAL 102 Ca 0.00 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 1b57 s VAL 102 Cb 0.00 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.88 1b57 s VAL 102 CO 0.00 0.11 0.96 -2.16 -0.31 0.00 0.00 175.10 173.69 1b57 s PRO 103 N -0.89 4.74 -0.03 4.82 0.04 -1.26 -1.39 135.00 141.03 1b57 s PRO 103 Ca 0.03 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.55 1b57 s PRO 103 Cb -0.07 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1b57 s PRO 103 CO 0.01 0.28 -0.06 0.08 0.04 0.00 0.00 177.00 177.35 1b57 s VAL 104 N -0.27 0.57 -0.18 -0.36 1.01 0.13 -2.89 120.40 118.41 1b57 s VAL 104 Ca 0.46 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1b57 s VAL 104 Cb -0.24 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 1b57 s VAL 104 CO 0.30 0.21 0.12 -0.63 0.00 0.00 0.00 175.10 175.10 1b57 s ILE 105 N 0.56 5.29 -0.15 2.22 1.01 -0.20 -0.08 121.20 129.86 1b57 s ILE 105 Ca -0.08 0.14 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1b57 s ILE 105 Cb -0.11 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1b57 s ILE 105 CO 0.00 0.48 -0.01 -0.22 0.00 0.00 0.00 174.94 175.19 1b57 s LEU 106 N 0.10 3.44 0.11 2.97 2.96 -1.26 -1.50 118.68 125.50 1b57 s LEU 106 Ca 0.08 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1b57 s LEU 106 Cb -0.11 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.75 1b57 s LEU 106 CO -0.01 0.21 0.25 -2.28 -1.32 0.00 0.00 176.35 173.20 1b57 s HIS 107 N 0.15 0.14 0.12 5.38 5.65 -0.69 -0.27 115.29 125.76 1b57 s HIS 107 Ca 0.00 -0.53 0.07 0.00 0.25 0.00 0.00 55.06 54.85 1b57 s HIS 107 Cb -0.13 0.00 -0.04 0.00 -1.18 0.00 0.00 32.58 31.23 1b57 s HIS 107 CO 0.02 -0.61 -0.05 0.95 -0.65 0.00 0.00 174.74 174.40 1b57 s THR 108 N -3.87 3.65 0.17 0.89 -4.23 -1.15 -2.22 115.64 108.87 1b57 s THR 108 Ca 0.07 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 1b57 s THR 108 Cb 0.04 -2.75 0.03 0.00 1.34 0.00 0.00 72.50 71.16 1b57 s THR 108 CO -0.09 0.05 0.23 -0.67 -0.54 0.00 0.00 174.62 173.60 1b57 n ASP 109 N 0.43 0.33 -1.51 3.99 2.03 0.29 -2.42 116.55 119.70 1b57 n ASP 109 Ca -0.12 -1.27 -0.21 0.00 0.52 0.00 0.00 54.79 53.71 1b57 n ASP 109 Cb 0.53 -0.15 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 1b57 n ASP 109 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1b57 n HIS 110 N -1.69 0.51 -3.93 -0.67 8.25 -1.26 -4.51 115.22 111.92 1b57 n HIS 110 Ca 0.04 0.33 -0.31 0.00 -0.26 0.00 0.00 57.72 57.53 1b57 n HIS 110 Cb 0.14 -0.74 -0.15 0.00 1.12 0.00 0.00 29.99 30.35 1b57 n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b57 s ALA 112 N 1.23 2.82 0.23 0.00 0.00 -1.25 -1.28 121.76 123.52 1b57 s ALA 112 Ca 0.05 -0.59 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1b57 s ALA 112 Cb -0.19 -2.92 0.38 0.00 0.00 0.00 0.00 23.12 20.39 1b57 s ALA 112 CO -0.12 -1.42 1.64 -0.22 0.00 0.00 0.00 175.76 175.65 1b57 h LYS 113 N -0.83 0.10 0.00 0.00 3.64 -1.98 0.29 116.57 117.79 1b57 h LYS 113 Ca -0.45 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1b57 h LYS 113 Cb 1.30 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1b57 h LYS 113 CO 0.64 0.07 -0.02 0.87 -2.27 0.00 0.00 179.45 178.74 1b57 h LYS 114 N 0.10 0.00 -0.56 1.90 1.57 -1.96 -2.81 116.57 114.81 1b57 h LYS 114 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1b57 h LYS 114 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1b57 h LYS 114 CO -0.62 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 179.56 1b57 n LEU 115 N -3.39 3.70 0.11 2.94 4.77 0.08 -4.63 117.00 120.57 1b57 n LEU 115 Ca -0.03 -1.72 0.17 0.00 -0.03 0.00 0.00 56.01 54.41 1b57 n LEU 115 Cb 0.11 -0.37 0.73 0.00 -2.33 0.00 0.00 43.42 41.56 1b57 n LEU 115 CO 0.24 0.86 1.15 -0.07 -1.33 0.00 0.00 177.39 178.25 1b57 h LEU 116 N 4.40 0.00 -2.46 2.23 3.38 -1.37 -0.19 115.31 121.29 1b57 h LEU 116 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1b57 h LEU 116 Cb 0.99 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 1b57 h LEU 116 CO 0.00 0.00 -0.03 -0.65 0.09 0.00 0.00 178.44 177.85 1b57 h PRO 117 N 0.00 0.00 0.22 1.13 0.11 -1.86 -0.63 132.00 130.97 1b57 h PRO 117 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1b57 h PRO 117 Cb 0.70 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1b57 h PRO 117 CO -0.00 0.03 -0.46 2.35 -0.21 0.00 0.00 178.00 179.71 1b57 h TRP 118 N 0.00 -1.31 -0.10 0.65 7.01 -1.29 -0.48 115.95 120.43 1b57 h TRP 118 Ca -0.00 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.94 1b57 h TRP 118 Cb 0.10 0.54 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 1b57 h TRP 118 CO 0.00 -0.55 -0.33 0.82 -2.79 0.00 0.00 178.44 175.59 1b57 h ILE 119 N -0.74 1.27 -0.84 2.65 1.08 -1.33 -1.24 117.51 118.36 1b57 h ILE 119 Ca -0.02 -1.30 -0.01 0.00 -0.39 0.00 0.00 64.86 63.13 1b57 h ILE 119 Cb 0.70 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.98 1b57 h ILE 119 CO -0.19 0.39 0.48 0.44 -0.69 0.00 0.00 178.15 178.58 1b57 h ASP 120 N 0.17 1.04 0.36 1.72 3.32 -0.92 0.21 116.42 122.32 1b57 h ASP 120 Ca 0.02 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 1b57 h ASP 120 Cb 0.68 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1b57 h ASP 120 CO 0.05 0.82 -0.49 1.23 -1.72 0.00 0.00 179.24 179.14 1b57 h GLY 121 N 1.17 0.17 1.62 2.75 0.00 -0.83 -1.78 103.07 106.16 1b57 h GLY 121 Ca 0.30 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.29 1b57 h GLY 121 CO -0.05 0.16 -0.65 1.41 0.00 0.00 0.00 176.54 177.41 1b57 h LEU 122 N 0.12 0.44 -0.65 3.11 3.38 -0.50 -2.68 115.31 118.52 1b57 h LEU 122 Ca 0.00 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.57 1b57 h LEU 122 Cb 0.91 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1b57 h LEU 122 CO 0.07 0.97 -0.47 -0.07 0.09 0.00 0.00 178.44 179.04 1b57 h LEU 123 N 0.27 0.54 -0.39 1.67 3.38 -0.30 0.29 115.31 120.76 1b57 h LEU 123 Ca -0.01 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1b57 h LEU 123 Cb 1.20 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1b57 h LEU 123 CO 0.11 0.92 0.15 0.44 0.09 0.00 0.00 178.44 180.15 1b57 h ASP 124 N 0.40 0.18 -0.24 -0.43 3.32 -1.23 0.25 116.42 118.67 1b57 h ASP 124 Ca 0.02 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 1b57 h ASP 124 Cb 0.97 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1b57 h ASP 124 CO 0.09 0.14 -0.43 0.00 -1.72 0.00 0.00 179.24 177.32 1b57 h ALA 125 N 1.24 0.65 -0.31 3.45 0.00 -1.30 -0.72 119.26 122.27 1b57 h ALA 125 Ca 0.18 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1b57 h ALA 125 Cb 0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1b57 h ALA 125 CO -0.17 0.67 -0.06 0.78 0.00 0.00 0.00 179.25 180.47 1b57 h GLY 126 N 0.88 0.24 1.49 0.00 0.00 -0.05 0.11 103.07 105.73 1b57 h GLY 126 Ca 0.05 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1b57 h GLY 126 CO 0.09 -0.11 0.05 0.83 0.00 0.00 0.00 176.54 177.41 1b57 h GLU 127 N 0.02 0.64 -0.52 4.80 5.08 -0.14 -1.88 114.58 122.58 1b57 h GLU 127 Ca 0.15 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1b57 h GLU 127 Cb 0.22 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1b57 h GLU 127 CO -0.31 0.62 -0.01 0.87 -1.00 0.00 0.00 179.01 179.19 1b57 h LYS 128 N 0.62 0.90 0.00 2.33 1.57 -0.54 -2.14 116.57 119.31 1b57 h LYS 128 Ca 0.13 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.50 1b57 h LYS 128 Cb 0.31 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1b57 h LYS 128 CO 0.01 0.90 -0.71 1.25 -0.57 0.00 0.00 179.45 180.32 1b57 h HIS 129 N 0.83 0.00 -0.19 -1.35 2.76 -0.49 -2.52 115.15 114.19 1b57 h HIS 129 Ca 0.15 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.11 1b57 h HIS 129 Cb 0.50 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.47 1b57 h HIS 129 CO 0.03 0.71 -0.71 0.35 -1.30 0.00 0.00 177.93 177.01 1b57 h PHE 130 N 0.00 1.05 -0.51 5.26 3.57 -1.17 0.05 116.94 125.19 1b57 h PHE 130 Ca -0.01 -0.44 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1b57 h PHE 130 Cb 1.28 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1b57 h PHE 130 CO 0.00 1.26 0.13 0.00 -2.23 0.00 0.00 178.31 177.48 1b57 h ALA 131 N 0.62 1.28 -0.04 2.41 0.00 -1.17 0.31 119.26 122.67 1b57 h ALA 131 Ca -0.03 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1b57 h ALA 131 Cb 1.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1b57 h ALA 131 CO 0.15 0.51 -0.88 0.00 0.00 0.00 0.00 179.25 179.02 1b57 h ALA 132 N 1.40 0.39 0.00 0.00 0.00 -1.34 -3.39 119.26 116.32 1b57 h ALA 132 Ca 0.17 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1b57 h ALA 132 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1b57 h ALA 132 CO -0.00 0.77 -0.29 0.25 0.00 0.00 0.00 179.25 179.98 1b57 n THR 133 N -3.80 0.00 -1.06 0.00 -2.24 -0.01 -5.00 114.28 102.17 1b57 n THR 133 Ca -0.07 -0.24 -0.02 0.00 -2.27 0.00 0.00 64.05 61.45 1b57 n THR 133 Cb 0.80 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.79 1b57 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b57 n GLY 134 N 1.20 0.53 2.98 3.38 0.00 0.11 -5.01 105.19 108.37 1b57 n GLY 134 Ca 0.00 -0.29 -0.18 0.00 0.00 0.00 0.00 46.02 45.56 1b57 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b57 s LYS 135 N -1.22 0.61 1.05 1.61 1.02 -1.26 -5.00 119.74 116.55 1b57 s LYS 135 Ca 0.00 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.63 1b57 s LYS 135 Cb 0.00 -0.59 0.22 0.00 -0.52 0.00 0.00 37.83 36.93 1b57 s LYS 135 CO 0.00 0.12 1.07 -1.25 -0.92 0.00 0.00 175.35 174.37 1b57 s PRO 136 N -0.02 0.04 -0.05 -1.68 0.04 -1.26 -2.90 135.00 129.19 1b57 s PRO 136 Ca 0.01 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 61.44 1b57 s PRO 136 Cb -0.04 -1.68 -0.23 0.00 0.04 0.00 0.00 34.50 32.58 1b57 s PRO 136 CO -0.00 -3.02 1.05 1.25 0.04 0.00 0.00 177.00 176.32 1b57 h LEU 137 N -2.11 0.22 -9.64 -3.56 5.85 -1.87 -3.46 115.31 100.75 1b57 h LEU 137 Ca -0.56 -0.75 -0.64 0.00 0.84 0.00 0.00 57.88 56.76 1b57 h LEU 137 Cb 1.33 -0.07 -0.09 0.00 0.37 0.00 0.00 40.66 42.20 1b57 h LEU 137 CO 0.55 0.94 -0.58 -0.36 -0.34 0.00 0.00 178.44 178.65 1b57 s PHE 138 N -3.22 3.26 0.09 1.25 0.40 -1.26 -4.97 117.98 113.53 1b57 s PHE 138 Ca -0.16 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.17 1b57 s PHE 138 Cb 0.01 -1.68 -0.15 0.00 0.51 0.00 0.00 43.02 41.71 1b57 s PHE 138 CO 0.74 0.54 1.30 0.77 0.70 0.00 0.00 175.22 179.27 1b57 h SER 139 N 3.56 0.86 -5.10 1.36 0.02 -0.88 -3.47 113.55 109.90 1b57 h SER 139 Ca -0.47 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 59.82 1b57 h SER 139 Cb 1.17 -0.25 -0.11 0.00 0.14 0.00 0.00 62.40 63.34 1b57 h SER 139 CO 0.66 1.34 -0.04 -0.94 -1.14 0.00 0.00 176.83 176.70 1b57 s SER 140 N -6.96 -0.23 0.16 3.07 1.04 -0.89 -1.68 113.70 108.22 1b57 s SER 140 Ca -0.11 -0.45 0.07 0.00 0.48 0.00 0.00 55.95 55.94 1b57 s SER 140 Cb 0.08 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1b57 s SER 140 CO 0.88 -0.96 -0.14 -1.00 0.98 0.00 0.00 173.24 173.00 1b57 s HIS 141 N -3.85 1.55 -0.20 5.02 0.09 -1.11 -2.92 115.29 113.86 1b57 s HIS 141 Ca 0.07 -0.58 -0.05 0.00 -0.00 0.00 0.00 55.06 54.50 1b57 s HIS 141 Cb 0.01 -0.77 -0.03 0.00 -0.00 0.00 0.00 32.58 31.79 1b57 s HIS 141 CO -0.06 0.24 0.01 1.41 -0.00 0.00 0.00 174.74 176.33 1b57 s MET 142 N -3.17 3.65 -0.27 1.40 -2.45 -1.02 -0.93 119.30 116.51 1b57 s MET 142 Ca 0.16 -0.50 -0.04 0.00 -1.25 0.00 0.00 55.69 54.05 1b57 s MET 142 Cb -0.03 -3.10 0.01 0.00 1.25 0.00 0.00 34.83 32.97 1b57 s MET 142 CO 0.04 0.03 0.00 0.42 1.05 0.00 0.00 175.02 176.56 1b57 s ILE 143 N 0.98 3.40 -0.48 10.11 1.01 -0.39 -3.36 121.20 132.47 1b57 s ILE 143 Ca 0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 1b57 s ILE 143 Cb -0.14 -2.72 0.13 0.00 0.01 0.00 0.00 42.46 39.73 1b57 s ILE 143 CO 0.02 0.17 0.30 -0.62 0.00 0.00 0.00 174.94 174.81 1b57 s ASP 144 N 1.42 5.40 -0.28 3.58 -1.08 -0.40 -3.75 116.67 121.55 1b57 s ASP 144 Ca 0.02 -2.18 0.08 0.00 -0.52 0.00 0.00 52.55 49.95 1b57 s ASP 144 Cb -0.17 -1.89 0.46 0.00 -1.46 0.00 0.00 42.92 39.86 1b57 s ASP 144 CO -0.01 -0.55 1.31 0.18 0.52 0.00 0.00 175.17 176.62 1b57 n LEU 145 N 4.44 4.06 0.00 -1.34 4.77 -1.26 -3.85 117.00 123.81 1b57 n LEU 145 Ca -0.01 -4.19 0.08 0.00 -0.03 0.00 0.00 56.01 51.85 1b57 n LEU 145 Cb 0.41 -0.51 0.36 0.00 -2.33 0.00 0.00 43.42 41.34 1b57 n LEU 145 CO 0.36 1.63 0.76 -1.54 -1.33 0.00 0.00 177.39 177.26 1b57 n SER 146 N -0.97 0.00 0.13 -1.43 3.41 -1.26 -1.11 113.62 112.39 1b57 n SER 146 Ca 0.33 0.43 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 1b57 n SER 146 Cb 0.86 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1b57 n SER 146 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1b57 h GLU 147 N 0.00 0.00 -7.76 4.33 3.07 -1.94 -3.43 114.58 108.84 1b57 h GLU 147 Ca 0.00 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 1b57 h GLU 147 Cb 0.26 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.33 1b57 h GLU 147 CO 0.00 0.17 0.40 -1.21 -1.40 0.00 0.00 179.01 176.97 1b57 s GLU 148 N -3.15 0.79 0.58 2.33 0.41 -0.27 -5.05 118.70 114.34 1b57 s GLU 148 Ca 0.02 -0.28 -0.18 0.00 -0.41 0.00 0.00 54.97 54.12 1b57 s GLU 148 Cb 0.08 -1.85 -0.04 0.00 -1.78 0.00 0.00 34.13 30.53 1b57 s GLU 148 CO 0.75 -2.33 1.11 -1.54 -0.49 0.00 0.00 175.26 172.75 1b57 s SER 149 N -4.76 5.59 0.22 -0.19 1.04 -1.26 -4.75 113.70 109.57 1b57 s SER 149 Ca 0.71 2.08 -0.20 0.00 0.48 0.00 0.00 55.95 59.02 1b57 s SER 149 Cb -0.06 -2.57 0.19 0.00 0.10 0.00 0.00 66.02 63.68 1b57 s SER 149 CO 0.52 -1.31 1.55 0.25 0.98 0.00 0.00 173.24 175.24 1b57 h LEU 150 N 0.81 -1.50 -0.07 2.42 5.85 -1.93 -0.80 115.31 120.09 1b57 h LEU 150 Ca -0.49 0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1b57 h LEU 150 Cb 1.25 0.76 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 1b57 h LEU 150 CO 0.56 -0.29 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.61 1b57 h GLN 151 N -0.03 -0.22 -0.76 1.25 4.15 -1.99 -1.92 115.11 115.58 1b57 h GLN 151 Ca 0.31 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.71 1b57 h GLN 151 Cb 0.57 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.28 1b57 h GLN 151 CO -0.94 -0.15 0.36 1.49 -1.93 0.00 0.00 178.83 177.66 1b57 h GLU 152 N -0.23 1.10 -0.06 1.69 4.57 -1.66 -0.12 114.58 119.86 1b57 h GLU 152 Ca 0.07 -0.17 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 1b57 h GLU 152 Cb 0.33 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 28.66 1b57 h GLU 152 CO -0.20 0.86 -0.42 -0.97 -1.18 0.00 0.00 179.01 177.10 1b57 h ASN 153 N 1.08 -1.30 0.45 1.04 -0.73 -1.04 -1.29 115.58 113.78 1b57 h ASN 153 Ca 0.26 0.16 -0.11 0.00 1.87 0.00 0.00 56.30 58.49 1b57 h ASN 153 Cb 0.13 0.52 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 1b57 h ASN 153 CO -0.03 -0.44 -0.50 0.40 -0.37 0.00 0.00 177.43 176.49 1b57 h ILE 154 N -0.54 1.36 -0.05 2.57 1.08 -1.27 -1.06 117.51 119.60 1b57 h ILE 154 Ca 0.06 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.80 1b57 h ILE 154 Cb 0.64 1.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1b57 h ILE 154 CO -0.36 0.49 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.24 1b57 h GLU 155 N 0.05 0.10 -0.05 2.37 5.08 -0.43 0.09 114.58 121.80 1b57 h GLU 155 Ca -0.00 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1b57 h GLU 155 Cb 0.90 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1b57 h GLU 155 CO 0.07 0.49 -0.55 0.82 -1.00 0.00 0.00 179.01 178.83 1b57 h ILE 156 N -0.28 1.38 -0.46 3.13 2.04 -1.05 -2.47 117.51 119.79 1b57 h ILE 156 Ca 0.01 -1.87 -0.08 0.00 1.00 0.00 0.00 64.86 63.92 1b57 h ILE 156 Cb 0.45 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1b57 h ILE 156 CO 0.01 0.55 -0.05 0.00 0.00 0.00 0.00 178.15 178.66 1b57 h SER 158 N 0.73 0.67 -0.81 0.00 0.02 -0.68 0.32 113.55 113.80 1b57 h SER 158 Ca 0.13 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1b57 h SER 158 Cb 0.51 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 1b57 h SER 158 CO 0.03 0.74 0.39 0.11 -1.14 0.00 0.00 176.83 176.96 1b57 h LYS 159 N 0.57 1.17 -0.36 3.45 1.57 -0.75 -1.73 116.57 120.49 1b57 h LYS 159 Ca 0.13 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1b57 h LYS 159 Cb 0.34 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1b57 h LYS 159 CO 0.00 0.90 -0.13 1.88 -0.57 0.00 0.00 179.45 181.53 1b57 h TYR 160 N 1.16 0.82 -0.75 -1.35 -1.99 -1.15 -2.67 116.97 111.04 1b57 h TYR 160 Ca 0.28 -0.19 0.05 0.00 2.00 0.00 0.00 58.73 60.87 1b57 h TYR 160 Cb 0.11 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.60 1b57 h TYR 160 CO 0.01 0.90 0.49 1.25 -0.00 0.00 0.00 178.16 180.82 1b57 h LEU 161 N 0.51 0.75 -0.26 3.88 5.85 -0.14 0.96 115.31 126.87 1b57 h LEU 161 Ca 0.09 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1b57 h LEU 161 Cb 0.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1b57 h LEU 161 CO 0.04 0.51 0.02 -0.08 -0.34 0.00 0.00 178.44 178.59 1b57 h GLU 162 N 0.87 0.44 -0.69 1.25 4.81 -1.00 0.57 114.58 120.83 1b57 h GLU 162 Ca 0.31 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1b57 h GLU 162 Cb 0.13 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1b57 h GLU 162 CO -0.10 0.59 0.13 -0.09 -0.73 0.00 0.00 179.01 178.81 1b57 h ARG 163 N 0.24 1.13 0.00 1.92 2.43 -1.06 -3.23 114.38 115.81 1b57 h ARG 163 Ca 0.08 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1b57 h ARG 163 Cb 0.37 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1b57 h ARG 163 CO 0.01 1.02 -0.58 0.52 -1.51 0.00 0.00 179.97 179.42 1b57 h MET 164 N 1.06 0.00 0.00 0.20 2.86 -0.58 -3.04 114.93 115.43 1b57 h MET 164 Ca 0.21 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1b57 h MET 164 Cb 0.42 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1b57 h MET 164 CO 0.01 0.58 -0.13 0.66 1.06 0.00 0.00 176.91 179.09 1b57 h SER 165 N 0.00 0.00 0.25 1.22 4.64 -0.91 0.07 113.55 118.82 1b57 h SER 165 Ca -0.01 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1b57 h SER 165 Cb 1.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1b57 h SER 165 CO 0.08 0.13 -0.12 0.11 -0.87 0.00 0.00 176.83 176.15 1b57 h LYS 166 N 0.00 0.00 -0.20 4.77 1.57 -1.60 -2.23 116.57 118.88 1b57 h LYS 166 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1b57 h LYS 166 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1b57 h LYS 166 CO 0.02 0.12 -0.04 0.44 -0.57 0.00 0.00 179.45 179.42 1b57 n ILE 167 N -3.90 2.25 -1.05 1.86 -5.35 -0.96 -4.99 119.36 107.22 1b57 n ILE 167 Ca -0.02 -2.25 -0.02 0.00 -0.27 0.00 0.00 62.75 60.19 1b57 n ILE 167 Cb 0.22 -0.27 -0.01 0.00 -1.74 0.00 0.00 39.64 37.84 1b57 n ILE 167 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b57 n GLY 168 N -0.92 0.52 3.93 3.28 0.00 -0.84 -4.22 105.19 106.94 1b57 n GLY 168 Ca 0.23 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 45.00 1b57 n GLY 168 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b57 s MET 169 N -2.12 3.41 -0.01 1.61 -1.94 -0.03 -1.65 119.30 118.57 1b57 s MET 169 Ca 0.00 -0.11 -0.01 0.00 -1.71 0.00 0.00 55.69 53.87 1b57 s MET 169 Cb 0.00 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 1b57 s MET 169 CO 0.00 -0.12 0.08 0.99 -0.01 0.00 0.00 175.02 175.96 1b57 s THR 170 N -2.58 4.73 -0.12 2.05 2.01 -0.67 -4.39 115.64 116.67 1b57 s THR 170 Ca 0.45 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1b57 s THR 170 Cb -0.10 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 1b57 s THR 170 CO 0.41 0.37 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.35 1b57 s LEU 171 N -1.68 2.73 -0.15 4.42 2.96 -0.16 -2.77 118.68 124.04 1b57 s LEU 171 Ca 0.22 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 1b57 s LEU 171 Cb -0.12 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 1b57 s LEU 171 CO 0.13 0.19 0.24 -0.70 -1.32 0.00 0.00 176.35 174.88 1b57 s GLU 172 N 0.23 4.06 0.23 1.98 2.12 -0.11 -0.72 118.70 126.49 1b57 s GLU 172 Ca -0.08 0.01 0.08 0.00 0.36 0.00 0.00 54.97 55.34 1b57 s GLU 172 Cb -0.15 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1b57 s GLU 172 CO 0.05 0.40 -0.14 0.96 -0.54 0.00 0.00 175.26 175.98 1b57 s ILE 173 N 0.02 1.88 -0.03 -3.70 -4.36 -0.83 -1.26 121.20 112.92 1b57 s ILE 173 Ca 0.15 -2.24 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 1b57 s ILE 173 Cb -0.13 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.42 1b57 s ILE 173 CO 0.03 -0.52 -0.23 -0.70 0.24 0.00 0.00 174.94 173.77 1b57 s GLU 174 N -3.63 1.96 -0.12 0.37 2.12 -1.25 -0.02 118.70 118.14 1b57 s GLU 174 Ca 0.25 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.78 1b57 s GLU 174 Cb -0.01 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.57 1b57 s GLU 174 CO 0.09 0.45 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.61 1b57 s LEU 175 N -0.43 1.65 0.04 2.70 1.43 -0.15 -4.26 118.68 119.66 1b57 s LEU 175 Ca 0.06 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1b57 s LEU 175 Cb -0.10 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.04 1b57 s LEU 175 CO 0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1b57 n GLY 176 N 4.44 -2.84 3.87 -3.19 0.00 -1.26 -2.65 105.19 103.55 1b57 n GLY 176 Ca -0.18 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1b57 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b57 h THR 178 N 1.58 0.93 -0.06 0.00 2.02 -1.89 -3.36 112.91 112.14 1b57 h THR 178 Ca -0.47 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1b57 h THR 178 Cb 1.18 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 1b57 h THR 178 CO 0.65 0.33 0.00 0.61 0.37 0.00 0.00 175.52 177.48 1b57 n GLY 179 N 1.45 1.04 2.00 2.16 0.00 -1.26 -3.93 105.19 106.64 1b57 n GLY 179 Ca -0.32 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1b57 n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b57 n GLY 180 N 2.76 0.70 3.69 -0.02 0.00 -1.26 0.21 105.19 111.27 1b57 n GLY 180 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1b57 n GLY 180 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b57 n GLU 181 N -2.55 2.46 0.00 1.61 1.02 -1.26 -4.75 120.64 117.17 1b57 n GLU 181 Ca 0.00 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1b57 n GLU 181 Cb 0.00 -2.72 0.00 0.00 -0.02 0.00 0.00 31.44 28.70 1b57 n GLU 181 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1b57 n GLU 182 N 4.50 0.00 0.00 3.49 1.02 -1.26 -5.15 120.64 123.24 1b57 n GLU 182 Ca 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1b57 n GLU 182 Cb 0.32 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 1b57 n GLU 182 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1b57 n LEU 195 N 0.32 0.00 -4.93 -4.62 -0.00 -1.26 -5.15 117.00 101.37 1b57 n LEU 195 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 1b57 n LEU 195 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 1b57 n LEU 195 CO 0.00 0.00 0.41 -0.31 -0.00 0.00 0.00 177.39 177.49 1b57 s TYR 196 N 0.00 3.28 0.36 1.47 1.51 -1.26 -3.68 117.35 119.03 1b57 s TYR 196 Ca 0.00 0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 56.48 1b57 s TYR 196 Cb 0.00 -2.49 -0.05 0.00 -0.11 0.00 0.00 41.96 39.31 1b57 s TYR 196 CO 0.00 -0.54 0.66 0.99 -1.11 0.00 0.00 175.55 175.54 1b57 s THR 197 N -2.76 4.94 0.09 -0.71 2.01 -0.32 -4.74 115.64 114.15 1b57 s THR 197 Ca 0.50 0.18 0.07 0.00 0.31 0.00 0.00 61.69 62.76 1b57 s THR 197 Cb -0.10 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1b57 s THR 197 CO 0.42 -0.50 -0.12 -1.10 -0.69 0.00 0.00 174.62 172.63 1b57 s GLN 198 N -3.94 2.11 0.35 4.92 -1.52 -1.26 -4.92 119.66 115.40 1b57 s GLN 198 Ca 0.46 -1.02 0.08 0.00 -1.95 0.00 0.00 55.36 52.94 1b57 s GLN 198 Cb -0.10 -2.28 0.80 0.00 -0.22 0.00 0.00 33.01 31.20 1b57 s GLN 198 CO 0.34 0.52 1.89 -1.35 -0.25 0.00 0.00 175.29 176.43 1b57 h PRO 199 N 3.80 0.69 0.00 2.91 0.11 -1.90 -1.34 132.00 136.27 1b57 h PRO 199 Ca -0.49 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.42 1b57 h PRO 199 Cb 1.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1b57 h PRO 199 CO 0.51 0.46 -0.76 0.93 -0.21 0.00 0.00 178.00 178.92 1b57 h GLU 200 N 0.71 0.00 -0.31 1.05 3.07 -1.96 -0.78 114.58 116.35 1b57 h GLU 200 Ca 0.42 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.17 1b57 h GLU 200 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1b57 h GLU 200 CO -0.18 0.76 -0.25 -0.44 -1.40 0.00 0.00 179.01 177.50 1b57 h ASP 201 N 0.00 0.76 -0.49 1.42 3.32 -1.67 -1.85 116.42 117.90 1b57 h ASP 201 Ca -0.01 -0.45 0.09 0.00 0.02 0.00 0.00 57.03 56.68 1b57 h ASP 201 Cb 1.40 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1b57 h ASP 201 CO 0.10 1.05 0.08 0.58 -1.72 0.00 0.00 179.24 179.33 1b57 h VAL 202 N 0.48 0.71 -0.05 -1.35 2.07 -1.34 0.69 116.25 117.46 1b57 h VAL 202 Ca 0.06 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1b57 h VAL 202 Cb 0.81 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1b57 h VAL 202 CO 0.07 0.04 -0.02 -0.78 0.02 0.00 0.00 177.57 176.90 1b57 h ASP 203 N 0.21 -0.06 -0.53 0.57 3.58 -1.15 0.83 116.42 119.87 1b57 h ASP 203 Ca 0.25 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.78 1b57 h ASP 203 Cb 0.34 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.37 1b57 h ASP 203 CO -0.34 -0.03 0.23 0.22 -2.88 0.00 0.00 179.24 176.45 1b57 h TYR 204 N -0.01 0.41 -0.22 0.28 3.20 -0.90 0.78 116.97 120.50 1b57 h TYR 204 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1b57 h TYR 204 Cb 0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1b57 h TYR 204 CO -0.12 0.16 0.12 0.00 -1.64 0.00 0.00 178.16 176.69 1b57 h ALA 205 N 1.32 0.29 -0.43 1.82 0.00 -0.27 -1.00 119.26 120.99 1b57 h ALA 205 Ca 0.25 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1b57 h ALA 205 Cb 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1b57 h ALA 205 CO -0.21 -0.18 0.14 -0.92 0.00 0.00 0.00 179.25 178.08 1b57 h TYR 206 N 0.25 0.25 0.01 0.00 3.20 -0.72 0.69 116.97 120.66 1b57 h TYR 206 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1b57 h TYR 206 Cb 0.07 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.29 1b57 h TYR 206 CO -0.04 0.09 -0.01 1.15 -1.64 0.00 0.00 178.16 177.71 1b57 h THR 207 N 0.30 1.03 -0.25 1.81 2.02 -0.56 -1.74 112.91 115.52 1b57 h THR 207 Ca 0.20 -0.12 -0.20 0.00 0.77 0.00 0.00 66.41 67.07 1b57 h THR 207 Cb 0.20 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1b57 h THR 207 CO -0.21 0.03 -0.61 -0.33 0.37 0.00 0.00 175.52 174.77 1b57 h GLU 208 N -0.07 0.84 -0.06 6.66 4.39 -0.95 -3.28 114.58 122.11 1b57 h GLU 208 Ca -0.00 -0.57 -0.12 0.00 0.34 0.00 0.00 59.36 59.01 1b57 h GLU 208 Cb 0.07 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1b57 h GLU 208 CO 0.00 1.20 -0.51 -0.07 -1.16 0.00 0.00 179.01 178.47 1b57 h LEU 209 N 0.62 0.18 -1.53 1.33 3.38 -0.88 -2.38 115.31 116.04 1b57 h LEU 209 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1b57 h LEU 209 Cb 1.23 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1b57 h LEU 209 CO 0.13 0.67 0.00 0.28 0.09 0.00 0.00 178.44 179.61 1b57 h SER 210 N 0.13 0.00 0.19 -0.43 0.02 -1.37 0.44 113.55 112.54 1b57 h SER 210 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1b57 h SER 210 Cb 0.95 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 1b57 h SER 210 CO 0.08 0.00 -0.36 0.11 -1.14 0.00 0.00 176.83 175.51 1b57 h LYS 211 N 0.00 0.24 0.00 3.45 1.57 -1.51 -3.32 116.57 117.00 1b57 h LYS 211 Ca 0.00 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1b57 h LYS 211 Cb 0.27 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1b57 h LYS 211 CO 0.00 0.58 -0.09 0.82 -0.57 0.00 0.00 179.45 180.19 1b57 h ILE 212 N 0.21 0.53 -2.06 1.86 1.08 -1.07 -3.50 117.51 114.56 1b57 h ILE 212 Ca 0.02 -1.42 0.08 0.00 -0.39 0.00 0.00 64.86 63.15 1b57 h ILE 212 Cb 0.74 1.02 -0.18 0.00 -3.07 0.00 0.00 36.82 35.33 1b57 h ILE 212 CO 0.06 0.18 0.46 -0.55 -0.69 0.00 0.00 178.15 177.61 1b57 s SER 213 N -5.80 -0.41 0.00 1.72 0.15 -0.85 -5.02 113.70 103.50 1b57 s SER 213 Ca -0.07 0.21 0.27 0.00 0.70 0.00 0.00 55.95 57.05 1b57 s SER 213 Cb -0.00 0.39 1.07 0.00 -1.71 0.00 0.00 66.02 65.76 1b57 s SER 213 CO 0.23 -0.55 1.75 -0.81 1.20 0.00 0.00 173.24 175.06 1b57 n PRO 214 N 0.18 1.62 -2.65 5.44 -0.04 -1.26 -4.03 135.00 134.25 1b57 n PRO 214 Ca -0.11 -0.90 -0.43 0.00 -0.04 0.00 0.00 63.50 62.02 1b57 n PRO 214 Cb 0.60 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1b57 n PRO 214 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1b57 n ARG 215 N 0.10 3.46 -3.90 0.54 1.74 -1.26 -4.89 116.66 112.44 1b57 n ARG 215 Ca 0.19 -3.67 -0.09 0.00 -0.77 0.00 0.00 57.85 53.51 1b57 n ARG 215 Cb 0.33 -3.02 -0.08 0.00 -1.02 0.00 0.00 32.46 28.67 1b57 n ARG 215 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1b57 s PHE 216 N 1.21 0.20 0.10 -1.55 -0.12 -1.26 -0.98 117.98 115.59 1b57 s PHE 216 Ca 0.42 -0.59 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1b57 s PHE 216 Cb 0.03 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1b57 s PHE 216 CO 0.00 -0.46 -0.08 0.95 -0.05 0.00 0.00 175.22 175.58 1b57 s THR 217 N -3.39 0.84 -0.12 -4.49 -4.23 0.10 -4.74 115.64 99.61 1b57 s THR 217 Ca 0.02 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1b57 s THR 217 Cb 0.03 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1b57 s THR 217 CO -0.08 -0.73 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.50 1b57 s ILE 218 N -3.07 1.45 -0.65 2.99 1.01 -0.53 -1.96 121.20 120.44 1b57 s ILE 218 Ca 0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1b57 s ILE 218 Cb 0.01 -1.35 0.08 0.00 0.01 0.00 0.00 42.46 41.21 1b57 s ILE 218 CO -0.02 0.44 0.91 0.00 0.00 0.00 0.00 174.94 176.27 1b57 s ALA 219 N 1.22 3.18 -0.18 9.38 0.00 0.98 -0.28 121.76 136.06 1b57 s ALA 219 Ca -0.02 -1.94 -0.05 0.00 0.00 0.00 0.00 51.96 49.95 1b57 s ALA 219 Cb -0.14 -3.79 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 1b57 s ALA 219 CO -0.05 -2.69 0.00 0.00 0.00 0.00 0.00 175.76 173.03 1b57 s ALA 220 N 3.75 3.13 0.24 0.00 0.00 -1.25 -0.98 121.76 126.65 1b57 s ALA 220 Ca 0.20 -0.84 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 1b57 s ALA 220 Cb -0.18 -1.73 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1b57 s ALA 220 CO 0.09 0.10 0.72 -1.12 0.00 0.00 0.00 175.76 175.55 1b57 s SER 221 N 0.54 7.00 -0.08 0.00 0.01 -1.08 -4.88 113.70 115.22 1b57 s SER 221 Ca -0.01 1.39 0.05 0.00 1.31 0.00 0.00 55.95 58.69 1b57 s SER 221 Cb -0.14 -2.41 0.13 0.00 0.21 0.00 0.00 66.02 63.81 1b57 s SER 221 CO 0.02 -0.01 1.13 2.22 0.41 0.00 0.00 173.24 177.01 1b57 n PHE 222 N 0.55 -0.39 0.00 2.43 -1.74 -1.26 -1.18 117.46 115.86 1b57 n PHE 222 Ca -0.01 -0.79 0.00 0.00 -0.56 0.00 0.00 57.45 56.09 1b57 n PHE 222 Cb 0.51 0.65 0.00 0.00 1.52 0.00 0.00 39.48 42.16 1b57 n PHE 222 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1b57 n GLY 223 N -0.29 1.07 3.81 4.97 0.00 -1.26 0.53 105.19 114.02 1b57 n GLY 223 Ca -0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1b57 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b57 s ASN 224 N -1.89 6.87 0.12 1.61 4.22 -1.26 -4.35 114.94 120.25 1b57 s ASN 224 Ca 0.00 1.04 0.06 0.00 -2.14 0.00 0.00 52.86 51.82 1b57 s ASN 224 Cb 0.00 -2.29 -0.04 0.00 1.28 0.00 0.00 41.25 40.20 1b57 s ASN 224 CO 0.00 0.26 -0.15 0.68 -2.04 0.00 0.00 177.10 175.84 1b57 s VAL 225 N -0.81 1.40 0.06 3.54 -7.23 -1.25 -4.52 120.40 111.58 1b57 s VAL 225 Ca 0.26 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.46 1b57 s VAL 225 Cb -0.17 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 1b57 s VAL 225 CO 0.15 -0.34 1.12 -1.00 -0.31 0.00 0.00 175.10 174.72 1b57 s HIS 226 N -1.90 3.52 0.00 2.82 3.76 0.13 -4.48 115.29 119.15 1b57 s HIS 226 Ca 0.08 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1b57 s HIS 226 Cb -0.06 -3.32 0.00 0.00 1.11 0.00 0.00 32.58 30.31 1b57 s HIS 226 CO 0.03 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.50 1b57 n GLY 227 N 3.01 -2.59 3.05 -2.22 0.00 -1.26 -4.55 105.19 100.62 1b57 n GLY 227 Ca 0.07 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 1b57 n GLY 227 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b57 s VAL 228 N -0.65 1.11 0.17 1.61 1.01 -1.26 -4.67 120.40 117.71 1b57 s VAL 228 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1b57 s VAL 228 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1b57 s VAL 228 CO 0.00 0.34 -0.10 -0.31 0.00 0.00 0.00 175.10 175.03 1b57 s TYR 229 N 0.35 1.38 0.03 5.22 1.51 -1.26 -5.10 117.35 119.47 1b57 s TYR 229 Ca -0.08 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 54.94 1b57 s TYR 229 Cb -0.12 -0.70 -0.15 0.00 -0.11 0.00 0.00 41.96 40.87 1b57 s TYR 229 CO 0.02 0.12 0.76 0.36 -1.11 0.00 0.00 175.55 175.71 1b57 n LYS 230 N -0.25 0.00 0.00 -0.62 -0.00 -1.26 -4.74 118.16 111.29 1b57 n LYS 230 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1b57 n LYS 230 Cb 0.61 -1.11 0.00 0.00 -0.00 0.00 0.00 35.03 34.53 1b57 n LYS 230 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1b57 n PRO 231 N 1.11 0.00 0.00 -1.58 -0.02 -1.26 -1.20 135.00 132.05 1b57 n PRO 231 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1b57 n PRO 231 Cb 0.08 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1b57 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b57 n GLY 232 N -0.30 1.00 0.21 -1.23 0.00 -1.26 -4.88 105.19 98.72 1b57 n GLY 232 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1b57 n GLY 232 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1b57 h ASN 233 N 0.00 0.00 -3.69 1.61 -1.07 -1.48 -3.40 115.58 107.55 1b57 h ASN 233 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.73 1b57 h ASN 233 Cb 0.33 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.39 1b57 h ASN 233 CO 0.00 0.31 -0.57 -0.69 0.07 0.00 0.00 177.43 176.56 1b57 s VAL 234 N -3.85 4.85 -0.22 6.14 1.01 -1.26 -5.07 120.40 122.00 1b57 s VAL 234 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1b57 s VAL 234 Cb 0.12 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 33.28 1b57 s VAL 234 CO 0.67 0.32 -0.07 0.68 0.00 0.00 0.00 175.10 176.70 1b57 s VAL 235 N 1.46 1.58 0.49 2.92 -7.23 -1.26 -5.08 120.40 113.27 1b57 s VAL 235 Ca 0.06 -1.16 -0.05 0.00 -1.81 0.00 0.00 61.98 59.01 1b57 s VAL 235 Cb -0.15 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1b57 s VAL 235 CO 0.06 -0.02 0.80 -0.76 -0.31 0.00 0.00 175.10 174.87 1b57 s LEU 236 N 1.39 3.61 -0.47 1.32 1.43 -1.26 -4.61 118.68 120.09 1b57 s LEU 236 Ca -0.05 0.95 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1b57 s LEU 236 Cb -0.18 -3.91 0.20 0.00 0.03 0.00 0.00 46.19 42.33 1b57 s LEU 236 CO -0.07 -0.59 0.44 0.41 0.23 0.00 0.00 176.35 176.77 1b57 n THR 237 N -2.28 -0.35 0.31 5.49 -1.04 0.19 -4.98 114.28 111.61 1b57 n THR 237 Ca 0.01 -3.94 0.18 0.00 -2.04 0.00 0.00 64.05 58.26 1b57 n THR 237 Cb 0.55 -1.85 1.02 0.00 -1.82 0.00 0.00 70.33 68.23 1b57 n THR 237 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1b57 h PRO 238 N 5.07 0.00 -0.66 -2.82 0.11 -1.95 -2.19 132.00 129.56 1b57 h PRO 238 Ca 0.20 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.50 1b57 h PRO 238 Cb 0.86 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 1b57 h PRO 238 CO 0.49 0.01 0.51 1.15 -0.21 0.00 0.00 178.00 179.95 1b57 h THR 239 N 0.00 0.56 -0.55 -1.15 2.02 -1.95 0.39 112.91 112.23 1b57 h THR 239 Ca -0.00 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1b57 h THR 239 Cb 0.05 0.63 -0.09 0.00 -1.74 0.00 0.00 68.15 67.01 1b57 h THR 239 CO 0.00 0.00 0.05 0.40 0.37 0.00 0.00 175.52 176.35 1b57 h ILE 240 N 0.00 0.61 -0.20 3.11 1.08 -1.79 0.11 117.51 120.44 1b57 h ILE 240 Ca 0.31 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 1b57 h ILE 240 Cb 1.34 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1b57 h ILE 240 CO -0.00 0.03 0.04 -0.07 -0.69 0.00 0.00 178.15 177.46 1b57 h LEU 241 N 0.18 0.31 -0.80 1.44 3.38 -0.45 -1.50 115.31 117.87 1b57 h LEU 241 Ca 0.28 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1b57 h LEU 241 Cb 0.43 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 1b57 h LEU 241 CO -0.42 0.47 0.42 -0.09 0.09 0.00 0.00 178.44 178.91 1b57 h ARG 242 N 0.13 0.64 -0.10 1.13 2.43 -1.26 0.77 114.38 118.13 1b57 h ARG 242 Ca 0.06 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 1b57 h ARG 242 Cb 0.28 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1b57 h ARG 242 CO 0.00 0.43 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.06 1b57 h ASP 243 N 0.66 0.21 0.20 -3.80 3.32 -0.65 -0.65 116.42 115.72 1b57 h ASP 243 Ca 0.41 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 57.14 1b57 h ASP 243 Cb 0.47 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.97 1b57 h ASP 243 CO -0.30 0.59 -0.92 0.28 -1.72 0.00 0.00 179.24 177.17 1b57 h SER 244 N 0.17 0.66 0.16 6.45 0.02 -0.35 -1.60 113.55 119.06 1b57 h SER 244 Ca 0.02 -0.50 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1b57 h SER 244 Cb 0.77 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1b57 h SER 244 CO 0.06 1.29 -0.15 1.56 -1.14 0.00 0.00 176.83 178.45 1b57 h GLN 245 N 0.31 -0.32 -0.60 3.45 1.08 0.05 -2.12 115.11 116.96 1b57 h GLN 245 Ca -0.08 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.22 1b57 h GLN 245 Cb 1.55 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 28.99 1b57 h GLN 245 CO 0.17 -0.21 0.26 0.93 -0.95 0.00 0.00 178.83 179.03 1b57 h GLU 246 N -0.33 0.46 0.28 1.46 4.39 -1.19 -0.77 114.58 118.87 1b57 h GLU 246 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1b57 h GLU 246 Cb 0.31 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1b57 h GLU 246 CO -0.03 0.31 -0.44 -0.92 -1.16 0.00 0.00 179.01 176.76 1b57 h TYR 247 N 0.48 -1.24 -0.66 4.33 5.03 -1.17 0.14 116.97 123.87 1b57 h TYR 247 Ca 0.29 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.58 1b57 h TYR 247 Cb 0.30 0.51 -0.03 0.00 1.55 0.00 0.00 36.73 39.06 1b57 h TYR 247 CO -0.14 -0.57 0.24 0.28 -1.32 0.00 0.00 178.16 176.66 1b57 h VAL 248 N -0.78 1.24 -0.44 1.81 2.07 -1.23 0.24 116.25 119.16 1b57 h VAL 248 Ca -0.01 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1b57 h VAL 248 Cb 0.74 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1b57 h VAL 248 CO -0.16 0.31 0.26 0.28 0.02 0.00 0.00 177.57 178.28 1b57 h SER 249 N 0.94 0.42 -0.31 0.57 0.02 -0.85 -0.96 113.55 113.39 1b57 h SER 249 Ca 0.22 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1b57 h SER 249 Cb 0.24 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1b57 h SER 249 CO -0.01 0.30 -0.09 0.11 -1.14 0.00 0.00 176.83 176.00 1b57 h LYS 250 N 0.53 0.60 -0.45 3.45 6.56 -0.16 0.19 116.57 127.29 1b57 h LYS 250 Ca 0.17 -0.24 -0.06 0.00 -1.06 0.00 0.00 60.65 59.47 1b57 h LYS 250 Cb 0.01 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.62 1b57 h LYS 250 CO -0.08 0.80 0.04 -0.22 -2.06 0.00 0.00 179.45 177.94 1b57 h LYS 251 N 0.37 0.71 -0.01 3.15 3.64 -0.96 -3.00 116.57 120.47 1b57 h LYS 251 Ca 0.08 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1b57 h LYS 251 Cb 0.58 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1b57 h LYS 251 CO 0.03 0.69 -0.29 0.72 -2.27 0.00 0.00 179.45 178.34 1b57 n HIS 252 N -4.26 0.00 -3.21 1.91 8.25 -0.37 -5.00 115.22 112.55 1b57 n HIS 252 Ca 0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.36 1b57 n HIS 252 Cb 0.25 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.42 1b57 n HIS 252 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1b57 n ASN 253 N -0.13 -6.75 -4.69 0.41 5.15 0.63 -5.03 115.26 104.85 1b57 n ASN 253 Ca 0.06 -0.62 -0.24 0.00 -0.60 0.00 0.00 54.58 53.18 1b57 n ASN 253 Cb 0.30 -5.18 -0.07 0.00 -0.53 0.00 0.00 39.78 34.30 1b57 n ASN 253 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1b57 s LEU 254 N -5.19 3.12 1.09 1.20 1.43 -0.88 -5.05 118.68 114.39 1b57 s LEU 254 Ca 0.40 -0.92 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 1b57 s LEU 254 Cb -0.05 -1.52 0.24 0.00 0.03 0.00 0.00 46.19 44.89 1b57 s LEU 254 CO 0.73 -0.32 1.06 -2.84 0.23 0.00 0.00 176.35 175.21 1b57 s PRO 255 N -3.80 -0.32 0.37 1.29 0.02 -1.26 -4.69 135.00 126.61 1b57 s PRO 255 Ca 0.37 0.73 -0.28 0.00 0.02 0.00 0.00 61.00 61.84 1b57 s PRO 255 Cb -0.00 -1.63 -0.10 0.00 0.02 0.00 0.00 34.50 32.79 1b57 s PRO 255 CO 0.21 -3.30 1.33 -1.58 -0.33 0.00 0.00 177.00 173.33 1b57 s HIS 256 N -2.67 2.89 -1.30 6.54 5.65 -1.26 -3.11 115.29 122.03 1b57 s HIS 256 Ca 0.67 1.38 -0.09 0.00 0.25 0.00 0.00 55.06 57.27 1b57 s HIS 256 Cb -0.22 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.46 1b57 s HIS 256 CO 0.62 -2.10 0.56 0.09 -0.65 0.00 0.00 174.74 173.26 1b57 n ASN 257 N 0.48 -2.21 0.16 9.88 3.02 -1.26 -4.88 115.26 120.44 1b57 n ASN 257 Ca 0.02 -1.03 0.03 0.00 -0.03 0.00 0.00 54.58 53.57 1b57 n ASN 257 Cb 0.42 -3.08 0.19 0.00 -0.61 0.00 0.00 39.78 36.71 1b57 n ASN 257 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1b57 h SER 258 N -1.91 0.00 -3.83 6.41 0.02 -1.88 -3.46 113.55 108.90 1b57 h SER 258 Ca -0.65 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 59.83 1b57 h SER 258 Cb 1.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1b57 h SER 258 CO 0.57 0.47 0.20 -0.76 -1.14 0.00 0.00 176.83 176.17 1b57 s LEU 259 N -6.84 4.09 -0.41 5.07 1.43 -1.26 -5.05 118.68 115.72 1b57 s LEU 259 Ca 0.01 1.49 -0.15 0.00 -1.03 0.00 0.00 54.13 54.45 1b57 s LEU 259 Cb 0.10 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1b57 s LEU 259 CO 0.72 -0.21 0.31 0.20 0.23 0.00 0.00 176.35 177.60 1b57 s ASN 260 N -2.09 6.12 0.31 2.29 0.01 -1.26 -4.81 114.94 115.50 1b57 s ASN 260 Ca 0.55 -0.84 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1b57 s ASN 260 Cb -0.12 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.34 1b57 s ASN 260 CO 0.17 -0.45 0.50 -0.36 -1.51 0.00 0.00 177.10 175.44 1b57 s PHE 261 N 1.74 3.49 -0.04 2.20 0.08 -0.77 -1.46 117.98 123.22 1b57 s PHE 261 Ca 0.06 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.46 1b57 s PHE 261 Cb -0.19 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 1b57 s PHE 261 CO 0.10 0.21 -0.19 0.08 -0.10 0.00 0.00 175.22 175.33 1b57 s VAL 262 N -2.19 1.57 -0.37 -0.44 1.01 0.61 -0.75 120.40 119.84 1b57 s VAL 262 Ca 0.39 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1b57 s VAL 262 Cb -0.10 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.99 1b57 s VAL 262 CO 0.34 0.45 0.18 0.12 0.00 0.00 0.00 175.10 176.18 1b57 s PHE 263 N -0.09 3.26 0.31 5.22 2.19 0.35 -3.92 117.98 125.30 1b57 s PHE 263 Ca -0.02 -1.21 -0.10 0.00 0.33 0.00 0.00 56.93 55.93 1b57 s PHE 263 Cb -0.11 -2.46 -0.07 0.00 -1.31 0.00 0.00 43.02 39.07 1b57 s PHE 263 CO 0.02 -0.71 0.64 -1.01 1.83 0.00 0.00 175.22 176.00 1b57 s HIS 264 N 1.48 3.44 -0.64 10.12 3.76 -1.26 -1.07 115.29 131.12 1b57 s HIS 264 Ca 0.01 0.94 -0.03 0.00 -0.15 0.00 0.00 55.06 55.82 1b57 s HIS 264 Cb -0.20 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.17 1b57 s HIS 264 CO 0.05 0.12 0.42 0.41 -0.85 0.00 0.00 174.74 174.88 1b57 n GLY 265 N -0.65 0.23 0.31 -2.22 0.00 -1.26 -4.66 105.19 96.95 1b57 n GLY 265 Ca 0.01 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.81 1b57 n GLY 265 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1b57 h GLY 266 N -0.95 0.27 -3.33 -0.02 0.00 -1.36 -3.43 103.07 94.24 1b57 h GLY 266 Ca -0.24 -0.09 -0.56 0.00 0.00 0.00 0.00 47.33 46.44 1b57 h GLY 266 CO 0.25 0.07 0.51 1.44 0.00 0.00 0.00 176.54 178.81 1b57 n SER 267 N -4.48 2.49 0.00 0.19 7.64 -1.26 -1.59 113.62 116.61 1b57 n SER 267 Ca 0.03 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1b57 n SER 267 Cb 0.22 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 61.90 1b57 n SER 267 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b57 n GLY 268 N 0.82 1.45 3.79 0.23 0.00 -1.26 -4.65 105.19 105.57 1b57 n GLY 268 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1b57 n GLY 268 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1b57 s SER 269 N -3.13 4.90 0.42 1.61 0.01 -0.62 -5.01 113.70 111.88 1b57 s SER 269 Ca 0.00 1.76 -0.12 0.00 1.31 0.00 0.00 55.95 58.90 1b57 s SER 269 Cb 0.00 -2.51 -0.07 0.00 0.21 0.00 0.00 66.02 63.65 1b57 s SER 269 CO 0.00 -1.77 0.81 -0.89 0.41 0.00 0.00 173.24 171.80 1b57 s THR 270 N -2.91 4.74 0.22 1.44 2.01 -1.26 -4.94 115.64 114.94 1b57 s THR 270 Ca 0.60 0.74 -0.07 0.00 0.31 0.00 0.00 61.69 63.27 1b57 s THR 270 Cb -0.16 -3.73 0.17 0.00 0.01 0.00 0.00 72.50 68.80 1b57 s THR 270 CO 0.54 -0.54 1.82 0.00 -0.69 0.00 0.00 174.62 175.75 1b57 h ALA 271 N 1.23 1.01 -0.27 7.40 0.00 -1.96 -0.39 119.26 126.29 1b57 h ALA 271 Ca -0.47 0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1b57 h ALA 271 Cb 1.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1b57 h ALA 271 CO 0.63 0.10 -0.51 0.37 0.00 0.00 0.00 179.25 179.85 1b57 h GLN 272 N 0.76 0.82 -0.95 0.00 5.75 -1.96 -0.33 115.11 119.20 1b57 h GLN 272 Ca 0.34 -0.52 0.04 0.00 -0.15 0.00 0.00 58.65 58.36 1b57 h GLN 272 Cb 0.22 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 1b57 h GLN 272 CO -0.20 1.15 0.62 0.93 -2.65 0.00 0.00 178.83 178.68 1b57 h GLU 273 N 0.58 1.15 -0.15 1.69 5.08 -1.77 -0.52 114.58 120.63 1b57 h GLU 273 Ca 0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1b57 h GLU 273 Cb 1.11 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1b57 h GLU 273 CO 0.11 0.76 0.04 0.82 -1.00 0.00 0.00 179.01 179.75 1b57 h ILE 274 N 1.19 1.19 -0.74 3.13 2.04 -0.81 -1.12 117.51 122.39 1b57 h ILE 274 Ca 0.38 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1b57 h ILE 274 Cb 0.02 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1b57 h ILE 274 CO -0.13 0.18 0.39 0.11 0.00 0.00 0.00 178.15 178.71 1b57 h LYS 275 N 0.06 1.04 -0.41 2.37 1.57 -0.74 -0.87 116.57 119.59 1b57 h LYS 275 Ca 0.05 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1b57 h LYS 275 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1b57 h LYS 275 CO -0.00 0.79 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.02 1b57 h ASP 276 N 1.03 0.83 -0.78 0.86 3.32 -1.06 -2.08 116.42 118.54 1b57 h ASP 276 Ca 0.26 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1b57 h ASP 276 Cb 0.06 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1b57 h ASP 276 CO -0.04 1.01 0.33 0.28 -1.72 0.00 0.00 179.24 179.10 1b57 h SER 277 N 0.71 1.07 0.24 6.45 0.02 -0.50 -0.76 113.55 120.78 1b57 h SER 277 Ca 0.10 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1b57 h SER 277 Cb 0.73 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1b57 h SER 277 CO 0.06 0.93 -0.26 0.58 -1.14 0.00 0.00 176.83 177.00 1b57 h VAL 278 N 1.14 1.20 0.00 2.27 2.07 -1.06 -0.75 116.25 121.11 1b57 h VAL 278 Ca 0.26 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1b57 h VAL 278 Cb 0.19 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1b57 h VAL 278 CO -0.02 0.27 0.00 -1.54 0.02 0.00 0.00 177.57 176.29 1b57 n SER 279 N -4.22 0.65 -1.99 0.57 3.41 -0.32 -1.98 113.62 109.75 1b57 n SER 279 Ca -0.02 0.66 -0.02 0.00 -0.26 0.00 0.00 58.87 59.24 1b57 n SER 279 Cb 0.32 -0.80 0.34 0.00 -0.26 0.00 0.00 64.21 63.81 1b57 n SER 279 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1b57 n TYR 280 N -2.23 2.37 -0.22 7.33 4.01 -0.31 -4.91 117.16 123.20 1b57 n TYR 280 Ca 0.02 -1.05 0.00 0.00 -0.16 0.00 0.00 57.90 56.71 1b57 n TYR 280 Cb 0.22 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 1b57 n TYR 280 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1b57 n GLY 281 N 0.11 0.83 3.67 2.72 0.00 -0.84 -4.68 105.19 107.00 1b57 n GLY 281 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1b57 n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b57 s VAL 282 N -2.10 3.35 -1.60 1.61 1.01 -1.05 -1.85 120.40 119.77 1b57 s VAL 282 Ca 0.00 0.53 0.15 0.00 0.00 0.00 0.00 61.98 62.66 1b57 s VAL 282 Cb 0.00 -3.34 0.05 0.00 0.00 0.00 0.00 36.38 33.09 1b57 s VAL 282 CO 0.00 -0.04 0.88 1.33 0.00 0.00 0.00 175.10 177.28 1b57 n VAL 283 N 5.30 0.00 -3.65 2.92 0.24 0.07 -4.61 118.33 118.60 1b57 n VAL 283 Ca 0.17 -0.42 -0.04 0.00 -2.04 0.00 0.00 64.34 62.01 1b57 n VAL 283 Cb 0.42 1.24 -0.06 0.00 -1.47 0.00 0.00 33.84 33.97 1b57 n VAL 283 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1b57 s LYS 284 N -1.54 0.53 -0.18 7.34 2.20 -1.23 -1.43 119.74 125.43 1b57 s LYS 284 Ca 0.15 1.28 -0.01 0.00 -0.36 0.00 0.00 55.97 57.03 1b57 s LYS 284 Cb 0.12 0.58 -0.00 0.00 -1.51 0.00 0.00 37.83 37.01 1b57 s LYS 284 CO 0.29 -0.20 -0.12 1.41 -0.36 0.00 0.00 175.35 176.37 1b57 s MET 285 N 2.53 3.28 -0.06 4.03 -2.45 -0.60 -0.50 119.30 125.53 1b57 s MET 285 Ca -0.06 -0.70 -0.23 0.00 -1.25 0.00 0.00 55.69 53.45 1b57 s MET 285 Cb -0.11 -2.75 -0.04 0.00 1.25 0.00 0.00 34.83 33.18 1b57 s MET 285 CO -0.17 -0.04 0.67 -0.80 1.05 0.00 0.00 175.02 175.72 1b57 s ASN 286 N 1.00 6.97 -0.06 1.11 -0.87 -0.23 -0.46 114.94 122.40 1b57 s ASN 286 Ca -0.01 1.17 0.02 0.00 -1.57 0.00 0.00 52.86 52.47 1b57 s ASN 286 Cb -0.15 -2.40 0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1b57 s ASN 286 CO -0.02 -0.07 -0.13 -0.63 -2.57 0.00 0.00 177.10 173.68 1b57 s ILE 287 N 0.63 1.15 0.18 0.60 1.01 0.11 -1.27 121.20 123.60 1b57 s ILE 287 Ca 0.36 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1b57 s ILE 287 Cb -0.18 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1b57 s ILE 287 CO 0.18 0.35 0.00 -0.67 0.00 0.00 0.00 174.94 174.80 1b57 n ASP 288 N 3.71 -0.14 -0.12 3.58 2.03 -1.26 -2.90 116.55 121.46 1b57 n ASP 288 Ca -0.22 0.31 -0.06 0.00 0.52 0.00 0.00 54.79 55.34 1b57 n ASP 288 Cb 0.52 0.28 0.02 0.00 -0.72 0.00 0.00 41.12 41.22 1b57 n ASP 288 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1b57 h THR 289 N 0.00 0.90 0.00 5.18 2.02 -1.95 -0.57 112.91 118.49 1b57 h THR 289 Ca 0.00 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1b57 h THR 289 Cb 0.00 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1b57 h THR 289 CO 0.00 0.06 -0.32 0.44 0.37 0.00 0.00 175.52 176.07 1b57 h ASP 290 N 0.30 0.00 1.18 4.18 3.32 -1.93 -1.74 116.42 121.73 1b57 h ASP 290 Ca 0.18 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1b57 h ASP 290 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1b57 h ASP 290 CO -0.17 0.32 -0.83 0.71 -1.72 0.00 0.00 179.24 177.54 1b57 h THR 291 N 0.00 1.20 -0.22 0.35 1.35 -1.69 -1.76 112.91 112.14 1b57 h THR 291 Ca -0.00 -2.74 -0.00 0.00 -0.55 0.00 0.00 66.41 63.11 1b57 h THR 291 Cb 0.70 2.58 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 1b57 h THR 291 CO 0.04 0.68 0.12 1.56 -0.25 0.00 0.00 175.52 177.68 1b57 h GLN 292 N 0.00 0.31 0.08 4.72 4.20 -0.84 -2.12 115.11 121.46 1b57 h GLN 292 Ca -0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1b57 h GLN 292 Cb 1.59 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.31 1b57 h GLN 292 CO 0.09 0.28 -0.04 2.35 -0.67 0.00 0.00 178.83 180.85 1b57 h TRP 293 N 0.25 -0.10 -0.37 2.96 2.91 -1.27 -2.47 115.95 117.86 1b57 h TRP 293 Ca 0.08 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.13 1b57 h TRP 293 Cb 0.06 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.73 1b57 h TRP 293 CO -0.04 0.08 0.25 0.00 -1.03 0.00 0.00 178.44 177.71 1b57 h ALA 294 N 0.64 1.86 -0.01 2.65 0.00 -1.29 0.68 119.26 123.80 1b57 h ALA 294 Ca -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b57 h ALA 294 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1b57 h ALA 294 CO 0.02 0.09 -0.00 1.15 0.00 0.00 0.00 179.25 180.51 1b57 h THR 295 N 0.39 1.29 -0.52 0.00 2.02 -1.23 -2.25 112.91 112.61 1b57 h THR 295 Ca 0.15 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.48 1b57 h THR 295 Cb 0.12 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1b57 h THR 295 CO -0.03 0.23 0.34 -0.25 0.37 0.00 0.00 175.52 176.17 1b57 h TRP 296 N -0.34 0.64 -0.80 3.16 2.91 -0.83 -2.94 115.95 117.76 1b57 h TRP 296 Ca 0.00 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.05 1b57 h TRP 296 Cb 0.37 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 28.76 1b57 h TRP 296 CO 0.05 0.39 0.53 1.49 -1.03 0.00 0.00 178.44 179.88 1b57 h GLU 297 N 0.69 1.04 -0.86 2.65 4.81 -0.67 0.20 114.58 122.43 1b57 h GLU 297 Ca 0.20 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1b57 h GLU 297 Cb -0.05 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 29.05 1b57 h GLU 297 CO -0.06 0.69 0.57 0.78 -0.73 0.00 0.00 179.01 180.26 1b57 h GLY 298 N 1.07 1.21 1.20 1.92 0.00 -1.23 -1.12 103.07 106.12 1b57 h GLY 298 Ca 0.30 -0.46 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 1b57 h GLY 298 CO -0.07 0.45 -0.28 -2.08 0.00 0.00 0.00 176.54 174.56 1b57 h VAL 299 N 1.17 1.27 0.15 4.60 2.07 -1.23 -2.05 116.25 122.23 1b57 h VAL 299 Ca 0.32 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1b57 h VAL 299 Cb -0.13 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1b57 h VAL 299 CO -0.07 0.49 -0.11 0.25 0.02 0.00 0.00 177.57 178.15 1b57 h LEU 300 N 0.76 -0.27 -0.96 2.57 5.85 -0.30 -0.76 115.31 122.21 1b57 h LEU 300 Ca 0.09 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1b57 h LEU 300 Cb 0.84 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1b57 h LEU 300 CO 0.07 -0.17 -0.28 0.78 -0.34 0.00 0.00 178.44 178.51 1b57 h ASN 301 N -0.26 0.00 -0.29 1.25 2.35 -1.20 -1.64 115.58 115.80 1b57 h ASN 301 Ca -0.01 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.65 1b57 h ASN 301 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1b57 h ASN 301 CO 0.00 0.28 -0.17 0.22 -1.65 0.00 0.00 177.43 176.11 1b57 h TYR 302 N 0.00 0.72 0.65 1.19 3.20 -1.09 -0.75 116.97 120.89 1b57 h TYR 302 Ca -0.00 -0.19 -0.03 0.00 3.14 0.00 0.00 58.73 61.65 1b57 h TYR 302 Cb 0.84 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1b57 h TYR 302 CO 0.00 0.87 -0.33 -0.92 -1.64 0.00 0.00 178.16 176.14 1b57 h TYR 303 N 0.37 -0.87 -0.95 -3.82 3.20 -0.88 -2.24 116.97 111.78 1b57 h TYR 303 Ca 0.06 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.04 1b57 h TYR 303 Cb 0.70 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 39.18 1b57 h TYR 303 CO 0.06 -0.53 0.60 0.87 -1.64 0.00 0.00 178.16 177.53 1b57 h LYS 304 N -0.90 0.82 0.00 1.82 1.57 -1.13 0.70 116.57 119.45 1b57 h LYS 304 Ca -0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1b57 h LYS 304 Cb 0.70 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1b57 h LYS 304 CO 0.13 0.54 -0.03 0.00 -0.57 0.00 0.00 179.45 179.53 1b57 h ALA 305 N 1.57 1.02 0.00 3.86 0.00 -0.98 -3.31 119.26 121.43 1b57 h ALA 305 Ca 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1b57 h ALA 305 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1b57 h ALA 305 CO -0.24 0.04 -0.15 0.09 0.00 0.00 0.00 179.25 178.99 1b57 n ASN 306 N -3.15 0.78 -0.30 0.00 3.02 -0.86 -4.90 115.26 109.86 1b57 n ASN 306 Ca 0.00 -1.84 0.04 0.00 -0.03 0.00 0.00 54.58 52.76 1b57 n ASN 306 Cb 0.29 -0.13 0.13 0.00 -0.61 0.00 0.00 39.78 39.46 1b57 n ASN 306 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1b57 h GLU 307 N 0.00 0.01 0.00 3.52 4.81 -0.97 -0.10 114.58 121.85 1b57 h GLU 307 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1b57 h GLU 307 Cb 1.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1b57 h GLU 307 CO 0.00 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.29 1b57 n ALA 308 N -3.36 1.65 -0.48 2.92 0.00 -1.26 -1.95 120.51 118.03 1b57 n ALA 308 Ca 0.14 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1b57 n ALA 308 Cb 0.46 -1.22 0.28 0.00 0.00 0.00 0.00 19.45 18.97 1b57 n ALA 308 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1b57 n TYR 309 N -1.45 1.00 -0.89 0.00 4.02 -0.05 -4.49 117.16 115.30 1b57 n TYR 309 Ca 0.04 -0.58 0.02 0.00 -0.01 0.00 0.00 57.90 57.37 1b57 n TYR 309 Cb 0.14 -0.13 0.03 0.00 -0.02 0.00 0.00 39.34 39.36 1b57 n TYR 309 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1b57 n LEU 310 N 0.88 1.14 0.08 7.72 4.77 -0.82 -4.71 117.00 126.05 1b57 n LEU 310 Ca 0.21 -1.49 0.08 0.00 -0.03 0.00 0.00 56.01 54.78 1b57 n LEU 310 Cb 0.69 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1b57 n LEU 310 CO 0.16 0.36 -0.13 0.00 -1.33 0.00 0.00 177.39 176.46 1b57 n GLN 311 N -0.47 0.61 -3.89 3.23 1.13 -1.25 -4.98 117.38 111.75 1b57 n GLN 311 Ca 0.03 0.13 -0.09 0.00 -1.94 0.00 0.00 57.00 55.13 1b57 n GLN 311 Cb 0.49 -1.80 -0.01 0.00 0.11 0.00 0.00 30.24 29.03 1b57 n GLN 311 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1b57 s GLY 312 N -4.50 0.42 0.19 1.08 0.00 -1.26 -5.04 107.32 98.21 1b57 s GLY 312 Ca -0.02 -0.75 -0.06 0.00 0.00 0.00 0.00 44.72 43.89 1b57 s GLY 312 CO 0.80 -0.39 1.58 1.46 0.00 0.00 0.00 173.10 176.55 1b57 h GLN 313 N 2.06 0.83 -6.02 2.90 4.20 -1.94 -3.42 115.11 113.71 1b57 h GLN 313 Ca -0.27 -0.37 -0.58 0.00 0.06 0.00 0.00 58.65 57.49 1b57 h GLN 313 Cb 1.25 -0.02 -0.27 0.00 0.30 0.00 0.00 27.48 28.73 1b57 h GLN 313 CO 0.34 1.00 -0.84 -0.51 -0.67 0.00 0.00 178.83 178.15 1b57 s LEU 314 N -8.89 2.11 0.00 1.46 1.43 -1.26 -1.28 118.68 112.25 1b57 s LEU 314 Ca -0.10 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.55 1b57 s LEU 314 Cb 0.12 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1b57 s LEU 314 CO 0.85 0.20 0.00 0.61 0.23 0.00 0.00 176.35 178.24 1b57 n GLY 315 N 2.16 1.91 1.42 -3.19 0.00 0.21 -4.90 105.19 102.79 1b57 n GLY 315 Ca -0.16 -1.02 -0.05 0.00 0.00 0.00 0.00 46.02 44.79 1b57 n GLY 315 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b57 n ASN 316 N 0.00 -0.73 0.32 1.61 0.23 -0.60 -4.73 115.26 111.36 1b57 n ASN 316 Ca 0.00 -1.69 0.21 0.00 -0.53 0.00 0.00 54.58 52.57 1b57 n ASN 316 Cb 0.00 1.27 1.14 0.00 -2.08 0.00 0.00 39.78 40.10 1b57 n ASN 316 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1b57 h PRO 317 N 0.00 0.00 -0.00 -0.53 0.11 -1.99 -0.31 132.00 129.28 1b57 h PRO 317 Ca -0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.99 1b57 h PRO 317 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1b57 h PRO 317 CO 0.16 0.00 -0.07 1.63 -0.21 0.00 0.00 178.00 179.51 1b57 n LYS 318 N -2.96 0.04 0.00 1.05 4.76 -1.26 -4.99 118.16 114.79 1b57 n LYS 318 Ca -0.03 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1b57 n LYS 318 Cb 0.07 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1b57 n LYS 318 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b57 n GLY 319 N 1.48 4.04 0.32 0.72 0.00 -0.13 -4.90 105.19 106.73 1b57 n GLY 319 Ca 0.07 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.33 1b57 n GLY 319 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1b57 h GLU 320 N 0.00 0.62 -0.19 1.61 5.08 -1.94 -1.51 114.58 118.26 1b57 h GLU 320 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1b57 h GLU 320 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1b57 h GLU 320 CO 0.00 0.41 0.00 -0.25 -1.00 0.00 0.00 179.01 178.17 1b57 n ASP 321 N -4.86 3.19 -4.75 1.42 8.00 -1.26 -3.54 116.55 114.75 1b57 n ASP 321 Ca 0.20 -1.99 -0.41 0.00 0.71 0.00 0.00 54.79 53.31 1b57 n ASP 321 Cb 0.51 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1b57 n ASP 321 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1b57 s GLN 322 N -1.75 4.59 0.27 -1.24 -1.52 -0.98 -4.62 119.66 114.41 1b57 s GLN 322 Ca 0.32 1.83 -0.28 0.00 -1.95 0.00 0.00 55.36 55.29 1b57 s GLN 322 Cb 0.21 -3.20 -0.09 0.00 -0.22 0.00 0.00 33.01 29.71 1b57 s GLN 322 CO 0.30 0.12 0.93 -1.25 -0.25 0.00 0.00 175.29 175.14 1b57 s PRO 323 N -1.13 4.72 0.00 2.91 0.04 -1.26 0.65 135.00 140.92 1b57 s PRO 323 Ca 0.47 1.39 0.19 0.00 0.04 0.00 0.00 61.00 63.09 1b57 s PRO 323 Cb -0.32 -3.08 0.29 0.00 0.04 0.00 0.00 34.50 31.42 1b57 s PRO 323 CO 0.40 0.43 1.23 0.09 0.04 0.00 0.00 177.00 179.19 1b57 n ASN 324 N 1.11 2.96 -0.33 6.66 3.02 -0.40 -4.75 115.26 123.54 1b57 n ASN 324 Ca -0.01 -1.87 0.27 0.00 -0.03 0.00 0.00 54.58 52.94 1b57 n ASN 324 Cb 0.48 -0.14 0.51 0.00 -0.61 0.00 0.00 39.78 40.03 1b57 n ASN 324 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1b57 h LYS 325 N 3.70 0.05 0.00 3.52 3.64 -1.92 0.14 116.57 125.70 1b57 h LYS 325 Ca 0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 1b57 h LYS 325 Cb 0.84 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1b57 h LYS 325 CO 0.00 0.03 -0.18 0.87 -2.27 0.00 0.00 179.45 177.90 1b57 h LYS 326 N 0.05 0.00 0.05 1.90 1.57 -1.98 -2.62 116.57 115.54 1b57 h LYS 326 Ca 0.78 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 59.24 1b57 h LYS 326 Cb 1.96 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.23 1b57 h LYS 326 CO -0.77 0.18 -1.86 0.66 -0.57 0.00 0.00 179.45 177.09 1b57 n TYR 327 N -3.77 1.06 0.55 -1.35 4.01 0.46 -4.36 117.16 113.76 1b57 n TYR 327 Ca -0.02 0.31 0.11 0.00 -0.16 0.00 0.00 57.90 58.14 1b57 n TYR 327 Cb 0.29 -1.17 0.25 0.00 -0.31 0.00 0.00 39.34 38.40 1b57 n TYR 327 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1b57 n TYR 328 N -3.22 0.43 -1.78 -0.72 0.18 -0.96 -4.71 117.16 106.38 1b57 n TYR 328 Ca -0.24 -0.21 -0.42 0.00 1.88 0.00 0.00 57.90 58.91 1b57 n TYR 328 Cb 1.05 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.98 1b57 n TYR 328 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1b57 s ASP 329 N -1.50 6.49 0.49 9.48 -1.08 -1.00 -4.83 116.67 124.73 1b57 s ASP 329 Ca 0.37 2.63 0.22 0.00 -0.52 0.00 0.00 52.55 55.25 1b57 s ASP 329 Cb 0.21 -2.55 1.27 0.00 -1.46 0.00 0.00 42.92 40.39 1b57 s ASP 329 CO 0.30 -0.99 1.94 -0.65 0.52 0.00 0.00 175.17 176.30 1b57 h PRO 330 N 9.20 0.16 0.00 4.34 0.11 -1.92 0.13 132.00 144.03 1b57 h PRO 330 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1b57 h PRO 330 Cb 1.22 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1b57 h PRO 330 CO 0.94 0.11 -0.06 0.00 -0.21 0.00 0.00 178.00 178.78 1b57 h ARG 331 N 0.17 0.00 0.00 1.05 3.08 -1.98 0.12 114.38 116.83 1b57 h ARG 331 Ca 0.33 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1b57 h ARG 331 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1b57 h ARG 331 CO -0.06 0.06 -0.00 0.28 -1.07 0.00 0.00 179.97 179.18 1b57 h VAL 332 N 0.00 1.51 0.00 2.04 2.07 -1.08 -2.67 116.25 118.12 1b57 h VAL 332 Ca -0.00 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.42 1b57 h VAL 332 Cb 0.15 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1b57 h VAL 332 CO 0.01 0.51 -0.20 4.11 0.02 0.00 0.00 177.57 182.02 1b57 h TRP 333 N -0.99 0.00 -0.12 1.57 5.08 -1.54 -1.67 115.95 118.29 1b57 h TRP 333 Ca -0.00 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.79 1b57 h TRP 333 Cb 0.83 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.99 1b57 h TRP 333 CO 0.23 0.00 -0.69 -0.07 -1.28 0.00 0.00 178.44 176.63 1b57 h LEU 334 N 0.00 0.58 -0.79 0.11 3.38 -0.90 -1.68 115.31 116.02 1b57 h LEU 334 Ca 0.00 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 1b57 h LEU 334 Cb 0.85 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1b57 h LEU 334 CO 0.00 1.11 -0.41 -0.09 0.09 0.00 0.00 178.44 179.14 1b57 h ARG 335 N 0.35 0.43 -0.27 1.13 9.65 -1.06 -1.04 114.38 123.57 1b57 h ARG 335 Ca -0.02 -0.21 -0.08 0.00 -1.10 0.00 0.00 59.98 58.57 1b57 h ARG 335 Cb 1.27 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1b57 h ARG 335 CO 0.13 0.76 -0.17 0.00 2.80 0.00 0.00 179.97 183.49 1b57 h ALA 336 N 1.21 1.20 -0.33 2.80 0.00 -0.86 -0.74 119.26 122.56 1b57 h ALA 336 Ca 0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1b57 h ALA 336 Cb 0.87 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1b57 h ALA 336 CO 0.07 0.51 -0.28 0.78 0.00 0.00 0.00 179.25 180.34 1b57 h GLY 337 N 0.95 0.73 0.97 0.00 0.00 -0.86 -2.02 103.07 102.85 1b57 h GLY 337 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1b57 h GLY 337 CO 0.04 0.58 0.01 1.46 0.00 0.00 0.00 176.54 178.63 1b57 h GLN 338 N 0.58 0.04 -0.09 4.80 4.20 -0.54 -1.59 115.11 122.50 1b57 h GLN 338 Ca 0.07 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.69 1b57 h GLN 338 Cb 0.77 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1b57 h GLN 338 CO 0.06 0.02 -0.36 1.79 -0.67 0.00 0.00 178.83 179.68 1b57 h THR 339 N 0.04 1.28 -0.44 -0.54 1.35 -0.99 0.11 112.91 113.72 1b57 h THR 339 Ca 0.02 -1.36 -0.06 0.00 -0.55 0.00 0.00 66.41 64.46 1b57 h THR 339 Cb 0.01 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1b57 h THR 339 CO -0.02 0.40 0.03 -1.28 -0.25 0.00 0.00 175.52 174.41 1b57 h SER 340 N 0.16 0.73 -0.60 5.36 0.87 -1.26 -0.74 113.55 118.07 1b57 h SER 340 Ca 0.02 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.30 1b57 h SER 340 Cb 0.71 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1b57 h SER 340 CO 0.05 0.84 0.38 -0.03 -0.53 0.00 0.00 176.83 177.55 1b57 h MET 341 N 0.60 0.74 -0.87 2.24 -1.53 -0.97 -1.77 114.93 113.37 1b57 h MET 341 Ca 0.13 -0.04 -0.02 0.00 -3.44 0.00 0.00 59.70 56.33 1b57 h MET 341 Cb 0.45 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.29 1b57 h MET 341 CO 0.02 0.49 0.48 0.82 0.14 0.00 0.00 176.91 178.86 1b57 h ILE 342 N 0.77 1.25 -0.35 1.77 2.04 -0.57 -0.92 117.51 121.50 1b57 h ILE 342 Ca 0.23 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.36 1b57 h ILE 342 Cb -0.04 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.10 1b57 h ILE 342 CO -0.07 0.28 -0.22 0.00 0.00 0.00 0.00 178.15 178.14 1b57 h ALA 343 N 1.26 0.97 0.22 1.87 0.00 -0.40 -1.48 119.26 121.71 1b57 h ALA 343 Ca 0.31 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1b57 h ALA 343 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1b57 h ALA 343 CO -0.05 0.60 -0.10 -0.09 0.00 0.00 0.00 179.25 179.61 1b57 h ARG 344 N 0.59 -0.28 -0.04 0.00 9.65 -1.01 -3.12 114.38 120.16 1b57 h ARG 344 Ca 0.09 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1b57 h ARG 344 Cb 0.69 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 1b57 h ARG 344 CO 0.05 -0.05 -0.11 1.25 2.80 0.00 0.00 179.97 183.91 1b57 h LEU 345 N -0.48 0.06 -1.11 3.80 5.85 -1.12 -2.36 115.31 119.95 1b57 h LEU 345 Ca -0.03 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1b57 h LEU 345 Cb 0.37 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1b57 h LEU 345 CO 0.05 0.18 0.03 -0.08 -0.34 0.00 0.00 178.44 178.28 1b57 h GLU 346 N 0.06 0.66 -0.35 1.25 4.81 -1.23 0.47 114.58 120.25 1b57 h GLU 346 Ca 0.01 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 1b57 h GLU 346 Cb 0.24 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1b57 h GLU 346 CO 0.02 0.66 -0.27 0.87 -0.73 0.00 0.00 179.01 179.55 1b57 h LYS 347 N 0.63 0.72 -0.40 1.92 1.57 -1.38 -0.62 116.57 119.01 1b57 h LYS 347 Ca 0.13 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1b57 h LYS 347 Cb 0.35 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1b57 h LYS 347 CO 0.01 0.91 0.25 0.00 -0.57 0.00 0.00 179.45 180.05 1b57 h ALA 348 N 1.08 0.50 -0.46 3.86 0.00 -0.98 0.13 119.26 123.40 1b57 h ALA 348 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1b57 h ALA 348 Cb 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1b57 h ALA 348 CO 0.06 -0.07 0.22 0.74 0.00 0.00 0.00 179.25 180.20 1b57 h PHE 349 N 0.51 0.62 -0.18 0.00 0.04 -0.56 -1.97 116.94 115.40 1b57 h PHE 349 Ca 0.15 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1b57 h PHE 349 Cb -0.03 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 1b57 h PHE 349 CO -0.06 0.46 0.03 1.96 -0.60 0.00 0.00 178.31 180.10 1b57 h GLN 350 N 0.64 0.29 0.00 1.51 4.20 -0.07 0.08 115.11 121.76 1b57 h GLN 350 Ca 0.16 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1b57 h GLN 350 Cb 0.07 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1b57 h GLN 350 CO -0.02 0.47 0.00 0.93 -0.67 0.00 0.00 178.83 179.53 1b57 h GLU 351 N 0.08 0.00 -0.03 1.46 5.08 -0.44 -0.84 114.58 119.89 1b57 h GLU 351 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1b57 h GLU 351 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1b57 h GLU 351 CO 0.00 0.00 -0.11 1.28 -1.00 0.00 0.00 179.01 179.18 1b57 n LEU 352 N -2.46 2.65 -1.33 1.33 4.77 -0.77 -4.54 117.00 116.63 1b57 n LEU 352 Ca 0.01 -0.90 -0.13 0.00 -0.03 0.00 0.00 56.01 54.96 1b57 n LEU 352 Cb 0.22 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1b57 n LEU 352 CO 0.20 0.45 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.36 1b57 n ASN 353 N 0.93 -4.37 -3.55 -1.43 5.15 -0.32 -2.26 115.26 109.41 1b57 n ASN 353 Ca 0.13 0.13 -0.35 0.00 -0.60 0.00 0.00 54.58 53.89 1b57 n ASN 353 Cb 0.55 -3.35 -0.02 0.00 -0.53 0.00 0.00 39.78 36.44 1b57 n ASN 353 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1b57 n ALA 354 N -0.46 5.06 -4.04 5.20 0.00 -0.04 -4.69 120.51 121.55 1b57 n ALA 354 Ca -0.15 -4.73 -0.31 0.00 0.00 0.00 0.00 53.44 48.25 1b57 n ALA 354 Cb 0.55 -1.63 -0.16 0.00 0.00 0.00 0.00 19.45 18.22 1b57 n ALA 354 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b57 s ILE 355 N -3.49 1.83 -1.10 0.00 -1.09 -1.26 -4.65 121.20 111.43 1b57 s ILE 355 Ca 0.39 -1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 57.63 1b57 s ILE 355 Cb 0.16 -1.85 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 1b57 s ILE 355 CO -0.03 0.22 0.90 -0.67 -1.23 0.00 0.00 174.94 174.12 1b57 n ASP 356 N 4.62 -5.38 -0.31 3.58 2.03 0.19 -4.92 116.55 116.36 1b57 n ASP 356 Ca -0.16 -0.75 0.04 0.00 0.52 0.00 0.00 54.79 54.44 1b57 n ASP 356 Cb 0.46 -4.87 0.03 0.00 -0.72 0.00 0.00 41.12 36.03 1b57 n ASP 356 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1b57 n VAL 357 N -3.58 0.00 1.75 5.18 0.24 -0.57 -5.04 118.33 116.32 1b57 n VAL 357 Ca -0.12 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 61.82 1b57 n VAL 357 Cb 0.63 1.16 0.83 0.00 -1.47 0.00 0.00 33.84 34.99 1b57 n VAL 357 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87