#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i48 s ASP 9 N 0.00 6.65 0.19 8.00 1.11 -1.26 -4.95 116.67 126.40 3i48 s ASP 9 Ca 0.00 2.57 0.05 0.00 0.18 0.00 0.00 52.55 55.35 3i48 s ASP 9 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 3i48 s ASP 9 CO 0.00 -0.77 0.17 -0.76 1.18 0.00 0.00 175.17 175.00 3i48 s LEU 10 N 0.82 3.87 -0.22 1.23 1.43 -1.26 -5.04 118.68 119.51 3i48 s LEU 10 Ca 0.67 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3i48 s LEU 10 Cb -0.42 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3i48 s LEU 10 CO 0.33 0.04 0.06 -0.54 0.23 0.00 0.00 176.35 176.47 3i48 s LYS 11 N -3.32 3.76 0.16 1.70 1.02 -1.26 -4.43 119.74 117.37 3i48 s LYS 11 Ca 0.32 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.92 3i48 s LYS 11 Cb -0.10 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 3i48 s LYS 11 CO 0.24 -0.01 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.03 3i48 s LEU 12 N 1.14 2.53 0.02 3.17 1.02 -0.17 -0.22 118.68 126.15 3i48 s LEU 12 Ca 0.04 -0.99 0.06 0.00 0.02 0.00 0.00 54.13 53.26 3i48 s LEU 12 Cb -0.14 -0.47 -0.02 0.00 0.02 0.00 0.00 46.19 45.58 3i48 s LEU 12 CO 0.03 -0.26 -0.20 -0.69 0.02 0.00 0.00 176.35 175.25 3i48 s VAL 13 N -3.10 1.56 -0.04 -1.59 1.01 -0.85 -0.36 120.40 117.04 3i48 s VAL 13 Ca 0.18 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3i48 s VAL 13 Cb 0.01 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 3i48 s VAL 13 CO 0.03 0.30 -0.24 -0.55 0.00 0.00 0.00 175.10 174.64 3i48 s SER 14 N -0.83 2.89 -0.18 3.32 0.15 -0.46 -0.60 113.70 118.00 3i48 s SER 14 Ca 0.07 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 3i48 s SER 14 Cb -0.08 -0.54 0.08 0.00 -1.71 0.00 0.00 66.02 63.76 3i48 s SER 14 CO 0.01 0.27 0.39 -2.28 1.20 0.00 0.00 173.24 172.82 3i48 s HIS 15 N -0.37 -0.67 -0.43 3.44 2.46 -0.05 -1.24 115.29 118.44 3i48 s HIS 15 Ca 0.03 1.35 -0.29 0.00 0.47 0.00 0.00 55.06 56.62 3i48 s HIS 15 Cb -0.11 0.23 0.02 0.00 -0.13 0.00 0.00 32.58 32.60 3i48 s HIS 15 CO 0.01 -0.42 1.14 1.21 -2.47 0.00 0.00 174.74 174.22 3i48 s ASN 16 N 2.19 6.70 0.00 9.88 3.84 -1.26 -1.36 114.94 134.93 3i48 s ASN 16 Ca -0.04 0.65 0.24 0.00 0.21 0.00 0.00 52.86 53.93 3i48 s ASN 16 Cb -0.11 -2.55 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 3i48 s ASN 16 CO -0.12 -1.17 1.41 1.33 -2.79 0.00 0.00 177.10 175.77 3i48 n VAL 17 N 6.60 0.11 -3.66 -5.21 0.24 -0.23 -4.30 118.33 111.88 3i48 n VAL 17 Ca 0.12 -0.48 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 3i48 n VAL 17 Cb 0.48 1.10 0.05 0.00 -1.47 0.00 0.00 33.84 34.00 3i48 n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i48 n TYR 18 N 1.05 -2.10 -2.86 6.34 9.36 -1.25 -4.71 117.16 122.99 3i48 n TYR 18 Ca 0.16 0.88 -0.43 0.00 3.32 0.00 0.00 57.90 61.84 3i48 n TYR 18 Cb 0.53 -4.55 0.01 0.00 -0.63 0.00 0.00 39.34 34.70 3i48 n TYR 18 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 3i48 n MET 19 N -4.35 4.53 -1.12 2.98 2.81 0.59 -4.91 117.12 117.64 3i48 n MET 19 Ca -0.23 -4.44 -0.31 0.00 -1.81 0.00 0.00 57.70 50.91 3i48 n MET 19 Cb 0.65 -2.55 0.11 0.00 -0.71 0.00 0.00 33.22 30.71 3i48 n MET 19 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3i48 s LEU 20 N -2.70 2.99 0.01 4.03 1.43 -1.26 -0.86 118.68 122.32 3i48 s LEU 20 Ca 0.33 1.93 -0.38 0.00 -1.03 0.00 0.00 54.13 54.98 3i48 s LEU 20 Cb 0.08 -4.53 -0.17 0.00 0.03 0.00 0.00 46.19 41.59 3i48 s LEU 20 CO 0.06 -2.31 1.32 -0.24 0.23 0.00 0.00 176.35 175.42 3i48 n SER 21 N -3.68 1.31 0.02 2.29 2.88 -1.26 -4.23 113.62 110.96 3i48 n SER 21 Ca 0.10 1.13 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 3i48 n SER 21 Cb 0.53 -1.11 0.55 0.00 -0.75 0.00 0.00 64.21 63.43 3i48 n SER 21 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3i48 n THR 22 N 2.52 0.14 0.01 2.46 -2.24 -1.26 -0.65 114.28 115.26 3i48 n THR 22 Ca 0.20 -0.07 -0.12 0.00 -2.27 0.00 0.00 64.05 61.79 3i48 n THR 22 Cb 0.15 -0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 67.80 3i48 n THR 22 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3i48 h VAL 23 N 0.00 1.18 0.04 2.28 2.07 -1.98 -2.98 116.25 116.87 3i48 h VAL 23 Ca 0.00 -1.34 -0.26 0.00 0.82 0.00 0.00 66.70 65.91 3i48 h VAL 23 Cb 0.56 2.00 0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3i48 h VAL 23 CO 0.00 0.31 -1.08 -0.07 0.02 0.00 0.00 177.57 176.75 3i48 h LEU 24 N -0.76 0.74 -6.24 2.57 3.38 -1.94 -3.40 115.31 109.66 3i48 h LEU 24 Ca -0.01 -0.63 -0.59 0.00 0.09 0.00 0.00 57.88 56.74 3i48 h LEU 24 Cb 0.59 -0.23 -0.41 0.00 0.09 0.00 0.00 40.66 40.70 3i48 h LEU 24 CO 0.02 1.44 -0.76 -1.22 0.09 0.00 0.00 178.44 178.01 3i48 n TYR 25 N -3.78 2.23 0.59 1.13 4.01 0.18 -4.94 117.16 116.58 3i48 n TYR 25 Ca -0.10 -3.96 0.11 0.00 -0.16 0.00 0.00 57.90 53.79 3i48 n TYR 25 Cb 0.91 -0.46 0.44 0.00 -0.31 0.00 0.00 39.34 39.91 3i48 n TYR 25 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3i48 n PRO 26 N 1.22 0.10 -1.11 -0.72 -0.04 -1.12 -3.83 135.00 129.50 3i48 n PRO 26 Ca 0.26 0.25 -0.22 0.00 -0.04 0.00 0.00 63.50 63.75 3i48 n PRO 26 Cb 0.44 -1.67 0.15 0.00 -0.04 0.00 0.00 33.50 32.39 3i48 n PRO 26 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3i48 n ASN 27 N -1.86 4.07 -0.32 3.54 5.03 -1.26 -4.44 115.26 120.03 3i48 n ASN 27 Ca 0.04 -3.46 0.04 0.00 0.87 0.00 0.00 54.58 52.08 3i48 n ASN 27 Cb 0.27 -0.82 0.10 0.00 -1.02 0.00 0.00 39.78 38.30 3i48 n ASN 27 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 3i48 n TRP 28 N -0.94 0.26 -2.50 3.10 5.03 -1.25 -4.95 117.44 116.19 3i48 n TRP 28 Ca 0.54 -0.63 -0.19 0.00 3.03 0.00 0.00 57.50 60.25 3i48 n TRP 28 Cb 1.46 -0.09 -0.00 0.00 -1.03 0.00 0.00 31.31 31.64 3i48 n TRP 28 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3i48 n GLY 29 N -0.35 -0.50 0.21 6.99 0.00 -1.26 -4.89 105.19 105.39 3i48 n GLY 29 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3i48 n GLY 29 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3i48 h GLN 30 N -0.17 0.03 -0.13 1.61 7.50 -1.91 0.48 115.11 122.52 3i48 h GLN 30 Ca -0.45 -0.00 -0.21 0.00 0.50 0.00 0.00 58.65 58.49 3i48 h GLN 30 Cb 1.33 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.86 3i48 h GLN 30 CO 0.53 0.02 -0.73 1.88 -1.50 0.00 0.00 178.83 179.02 3i48 h TYR 31 N 0.03 0.99 -0.72 2.96 0.05 -1.92 -0.83 116.97 117.54 3i48 h TYR 31 Ca 0.26 -0.45 0.01 0.00 0.05 0.00 0.00 58.73 58.61 3i48 h TYR 31 Cb 0.41 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 3i48 h TYR 31 CO -0.41 1.27 0.48 -0.22 -1.05 0.00 0.00 178.16 178.22 3i48 h LYS 32 N 0.44 0.94 -0.10 4.88 1.63 -1.83 -2.62 116.57 119.90 3i48 h LYS 32 Ca -0.05 -0.06 -0.10 0.00 -0.85 0.00 0.00 60.65 59.59 3i48 h LYS 32 Cb 1.37 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.78 3i48 h LYS 32 CO 0.15 0.62 -0.39 0.00 -3.45 0.00 0.00 179.45 176.38 3i48 h ARG 33 N 0.97 0.22 -0.59 1.90 3.08 0.13 -0.85 114.38 119.24 3i48 h ARG 33 Ca 0.27 -0.10 0.05 0.00 0.07 0.00 0.00 59.98 60.26 3i48 h ARG 33 Cb -0.09 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.91 3i48 h ARG 33 CO -0.07 0.59 0.33 0.00 -1.07 0.00 0.00 179.97 179.75 3i48 h ALA 34 N 1.41 0.78 -0.32 0.04 0.00 -0.81 0.38 119.26 120.74 3i48 h ALA 34 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i48 h ALA 34 Cb 0.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i48 h ALA 34 CO 0.06 0.01 0.14 -0.44 0.00 0.00 0.00 179.25 179.03 3i48 h ASP 35 N 0.63 0.43 -0.48 0.00 3.32 -1.12 -2.10 116.42 117.10 3i48 h ASP 35 Ca 0.26 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3i48 h ASP 35 Cb 0.13 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3i48 h ASP 35 CO -0.15 0.45 0.20 -0.07 -1.72 0.00 0.00 179.24 177.95 3i48 h LEU 36 N 0.38 0.65 -0.23 1.55 3.38 -0.62 -1.26 115.31 119.16 3i48 h LEU 36 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i48 h LEU 36 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3i48 h LEU 36 CO -0.01 0.63 0.13 0.40 0.09 0.00 0.00 178.44 179.68 3i48 h ILE 37 N 0.63 1.10 -0.60 1.22 2.04 -0.29 -1.86 117.51 119.75 3i48 h ILE 37 Ca 0.16 -0.26 0.16 0.00 1.00 0.00 0.00 64.86 65.91 3i48 h ILE 37 Cb 0.18 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3i48 h ILE 37 CO -0.01 0.10 0.42 1.23 0.00 0.00 0.00 178.15 179.89 3i48 h GLY 38 N 0.27 0.16 -1.07 5.37 0.00 -1.01 -1.88 103.07 104.91 3i48 h GLY 38 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3i48 h GLY 38 CO -0.01 0.01 -0.05 -1.06 0.00 0.00 0.00 176.54 175.43 3i48 n GLN 39 N -4.39 1.86 -1.53 4.80 6.02 -0.51 -4.87 117.38 118.75 3i48 n GLN 39 Ca 0.11 -1.34 -0.31 0.00 -0.01 0.00 0.00 57.00 55.45 3i48 n GLN 39 Cb 0.61 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 30.46 3i48 n GLN 39 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i48 s SER 40 N -2.07 5.11 0.02 1.08 1.04 -0.71 -5.00 113.70 113.18 3i48 s SER 40 Ca 0.32 1.58 -0.20 0.00 0.48 0.00 0.00 55.95 58.12 3i48 s SER 40 Cb 0.20 -2.41 -0.18 0.00 0.10 0.00 0.00 66.02 63.72 3i48 s SER 40 CO 0.35 -1.61 1.21 0.28 0.98 0.00 0.00 173.24 174.45 3i48 h SER 41 N -0.83 0.44 0.15 7.02 0.02 -1.91 -3.34 113.55 115.10 3i48 h SER 41 Ca -0.44 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 59.86 3i48 h SER 41 Cb 1.22 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 3i48 h SER 41 CO 0.57 1.00 -0.10 0.10 -1.14 0.00 0.00 176.83 177.26 3i48 h TYR 42 N -0.08 0.00 0.00 3.45 -0.00 -1.94 -0.82 116.97 117.58 3i48 h TYR 42 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.71 3i48 h TYR 42 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.70 3i48 h TYR 42 CO 0.12 0.10 0.00 0.97 -0.00 0.00 0.00 178.16 179.35 3i48 h ILE 43 N 0.00 0.00 -3.85 -0.90 6.09 -1.85 -3.46 117.51 113.54 3i48 h ILE 43 Ca -0.00 -0.57 -0.48 0.00 -1.37 0.00 0.00 64.86 62.43 3i48 h ILE 43 Cb 0.20 1.52 -0.00 0.00 0.47 0.00 0.00 36.82 39.00 3i48 h ILE 43 CO 0.01 0.00 0.19 -0.54 -3.07 0.00 0.00 178.15 174.75 3i48 s LYS 44 N -3.43 3.93 -1.37 2.19 1.02 -0.32 -4.37 119.74 117.39 3i48 s LYS 44 Ca 0.04 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3i48 s LYS 44 Cb 0.08 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3i48 s LYS 44 CO 0.55 -0.03 0.00 0.09 -0.92 0.00 0.00 175.35 175.04 3i48 n ASN 45 N -1.03 -4.67 -4.99 2.83 5.03 -1.26 -5.01 115.26 106.15 3i48 n ASN 45 Ca 0.04 0.05 -0.18 0.00 0.87 0.00 0.00 54.58 55.36 3i48 n ASN 45 Cb 0.54 -3.76 0.01 0.00 -1.02 0.00 0.00 39.78 35.54 3i48 n ASN 45 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3i48 s ASN 46 N -2.38 5.49 -0.16 6.41 0.01 -1.26 -4.98 114.94 118.07 3i48 s ASN 46 Ca 0.00 -0.53 -0.05 0.00 -0.71 0.00 0.00 52.86 51.57 3i48 s ASN 46 Cb 0.00 -0.51 -0.23 0.00 0.41 0.00 0.00 41.25 40.91 3i48 s ASN 46 CO 0.00 -0.82 0.20 0.47 -1.51 0.00 0.00 177.10 175.43 3i48 n ASP 47 N -1.86 2.08 -3.88 -1.22 8.00 0.69 -4.81 116.55 115.55 3i48 n ASP 47 Ca 0.08 0.13 -0.11 0.00 0.71 0.00 0.00 54.79 55.60 3i48 n ASP 47 Cb 0.60 -0.75 -0.12 0.00 -0.02 0.00 0.00 41.12 40.82 3i48 n ASP 47 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i48 s VAL 48 N -2.54 0.04 -0.05 2.53 1.01 -1.07 -1.41 120.40 118.91 3i48 s VAL 48 Ca -0.26 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3i48 s VAL 48 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.25 3i48 s VAL 48 CO 0.72 -0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 174.82 3i48 s VAL 49 N -0.52 1.19 -0.18 2.92 1.01 0.04 -2.00 120.40 122.85 3i48 s VAL 49 Ca -0.06 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3i48 s VAL 49 Cb -0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3i48 s VAL 49 CO 0.00 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.84 3i48 s ILE 50 N 0.28 4.30 0.08 2.22 1.01 0.23 -1.05 121.20 128.27 3i48 s ILE 50 Ca -0.07 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.43 3i48 s ILE 50 Cb -0.12 -2.92 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 3i48 s ILE 50 CO 0.02 0.46 -0.06 -0.36 0.00 0.00 0.00 174.94 175.01 3i48 s PHE 51 N 0.52 2.86 0.13 3.97 0.08 0.65 -0.87 117.98 125.32 3i48 s PHE 51 Ca 0.00 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.00 3i48 s PHE 51 Cb -0.14 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.76 3i48 s PHE 51 CO 0.02 0.43 -0.08 -0.80 -0.10 0.00 0.00 175.22 174.69 3i48 s ASN 52 N -2.07 1.53 -1.43 1.36 0.01 -0.46 -2.01 114.94 111.86 3i48 s ASN 52 Ca 0.22 -1.02 -0.04 0.00 -0.71 0.00 0.00 52.86 51.31 3i48 s ASN 52 Cb -0.11 0.04 0.02 0.00 0.41 0.00 0.00 41.25 41.60 3i48 s ASN 52 CO 0.14 -0.40 0.32 -0.62 -1.51 0.00 0.00 177.10 175.03 3i48 n GLU 53 N -0.15 -3.31 -1.90 -0.60 1.02 -0.79 -1.07 120.64 113.84 3i48 n GLU 53 Ca -0.11 0.76 -0.40 0.00 -0.02 0.00 0.00 57.16 57.39 3i48 n GLU 53 Cb 0.61 -5.49 -0.01 0.00 -0.02 0.00 0.00 31.44 26.53 3i48 n GLU 53 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i48 n ALA 54 N -2.94 6.60 -0.09 0.62 0.00 0.39 -0.30 120.51 124.80 3i48 n ALA 54 Ca -0.13 -4.00 -0.18 0.00 0.00 0.00 0.00 53.44 49.14 3i48 n ALA 54 Cb 0.61 -3.00 -0.11 0.00 0.00 0.00 0.00 19.45 16.96 3i48 n ALA 54 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3i48 h PHE 55 N 5.01 0.00 -2.48 0.00 0.04 -1.69 -3.39 116.94 114.43 3i48 h PHE 55 Ca 0.67 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.91 3i48 h PHE 55 Cb 0.39 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.55 3i48 h PHE 55 CO 1.58 1.20 1.16 0.34 -0.60 0.00 0.00 178.31 182.00 3i48 s ASP 56 N -6.56 6.51 0.10 2.17 2.15 -0.04 -4.79 116.67 116.22 3i48 s ASP 56 Ca -0.24 2.56 -0.22 0.00 0.43 0.00 0.00 52.55 55.08 3i48 s ASP 56 Cb 0.03 -2.54 -0.10 0.00 -0.30 0.00 0.00 42.92 40.01 3i48 s ASP 56 CO 0.57 -1.00 1.73 0.78 -0.17 0.00 0.00 175.17 177.08 3i48 h ASN 57 N 9.89 -0.06 -0.24 -0.34 2.35 -1.91 0.17 115.58 125.43 3i48 h ASN 57 Ca -0.46 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3i48 h ASN 57 Cb 1.22 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3i48 h ASN 57 CO 0.94 -0.02 0.10 1.23 -1.65 0.00 0.00 177.43 178.04 3i48 h GLY 58 N 0.00 0.39 1.24 2.83 0.00 -1.99 0.64 103.07 106.19 3i48 h GLY 58 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 3i48 h GLY 58 CO -0.07 0.19 -0.45 0.00 0.00 0.00 0.00 176.54 176.21 3i48 h ALA 59 N 0.95 0.61 -0.45 3.60 0.00 -1.91 -0.70 119.26 121.36 3i48 h ALA 59 Ca 0.08 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 3i48 h ALA 59 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3i48 h ALA 59 CO -0.01 0.68 -0.20 0.77 0.00 0.00 0.00 179.25 180.49 3i48 h SER 60 N 0.65 0.95 -0.89 0.00 0.02 -0.55 -1.17 113.55 112.56 3i48 h SER 60 Ca 0.04 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 3i48 h SER 60 Cb 1.03 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.26 3i48 h SER 60 CO 0.10 1.14 0.52 0.44 -1.14 0.00 0.00 176.83 177.89 3i48 h ASP 61 N 0.77 1.09 -0.47 3.07 3.32 -0.69 0.15 116.42 123.64 3i48 h ASP 61 Ca 0.10 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3i48 h ASP 61 Cb 0.77 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3i48 h ASP 61 CO 0.06 0.85 0.21 0.50 -1.72 0.00 0.00 179.24 179.14 3i48 h LYS 62 N 1.23 0.70 0.04 3.56 1.63 -0.94 0.16 116.57 122.95 3i48 h LYS 62 Ca 0.32 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 60.00 3i48 h LYS 62 Cb -0.03 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 3i48 h LYS 62 CO -0.06 0.61 -0.02 1.25 -3.45 0.00 0.00 179.45 177.78 3i48 h LEU 63 N 0.62 -0.06 -0.72 5.20 5.85 -0.71 0.30 115.31 125.80 3i48 h LEU 63 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3i48 h LEU 63 Cb 0.16 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3i48 h LEU 63 CO -0.02 -0.04 0.46 -0.07 -0.34 0.00 0.00 178.44 178.43 3i48 h LEU 64 N -0.06 0.84 -0.74 2.25 3.38 -0.80 -1.38 115.31 118.80 3i48 h LEU 64 Ca -0.00 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3i48 h LEU 64 Cb 0.05 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3i48 h LEU 64 CO 0.01 0.63 0.27 -1.28 0.09 0.00 0.00 178.44 178.16 3i48 h SER 65 N 0.98 1.04 -0.98 -0.43 0.87 -0.45 -1.79 113.55 112.78 3i48 h SER 65 Ca 0.26 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3i48 h SER 65 Cb -0.08 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.56 3i48 h SER 65 CO -0.05 0.94 0.62 0.78 -0.53 0.00 0.00 176.83 178.59 3i48 h ASN 66 N 1.07 1.15 0.24 6.23 2.35 0.27 -2.30 115.58 124.60 3i48 h ASN 66 Ca 0.24 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3i48 h ASN 66 Cb 0.25 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.33 3i48 h ASN 66 CO -0.02 0.86 -0.22 1.33 -1.65 0.00 0.00 177.43 177.73 3i48 n VAL 67 N -4.36 0.00 0.28 2.81 0.24 -0.58 -3.96 118.33 112.76 3i48 n VAL 67 Ca 0.11 -0.13 0.14 0.00 -2.04 0.00 0.00 64.34 62.43 3i48 n VAL 67 Cb 0.04 0.34 0.84 0.00 -1.47 0.00 0.00 33.84 33.58 3i48 n VAL 67 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3i48 h LYS 68 N 1.18 0.00 0.00 7.34 3.64 -0.72 0.27 116.57 128.29 3i48 h LYS 68 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i48 h LYS 68 Cb 0.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3i48 h LYS 68 CO 0.00 0.05 0.00 1.57 -2.27 0.00 0.00 179.45 178.80 3i48 h LYS 69 N 0.00 0.00 0.00 1.90 2.10 -1.73 -3.07 116.57 115.78 3i48 h LYS 69 Ca -0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 3i48 h LYS 69 Cb 0.14 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.46 3i48 h LYS 69 CO 0.01 0.00 -1.18 -1.91 -2.00 0.00 0.00 179.45 174.37 3i48 n GLU 70 N -2.51 3.57 -3.68 0.07 2.13 -0.35 -4.91 120.64 114.96 3i48 n GLU 70 Ca 0.00 -0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 3i48 n GLU 70 Cb 0.18 -1.07 -0.11 0.00 0.27 0.00 0.00 31.44 30.71 3i48 n GLU 70 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3i48 n TYR 71 N -2.10 1.98 0.28 4.31 4.01 0.82 -4.53 117.16 121.94 3i48 n TYR 71 Ca -0.04 -3.99 0.17 0.00 -0.16 0.00 0.00 57.90 53.88 3i48 n TYR 71 Cb 0.58 -0.36 0.77 0.00 -0.31 0.00 0.00 39.34 40.02 3i48 n TYR 71 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i48 h PRO 72 N 5.26 0.00 -5.28 -0.72 0.13 -1.45 -3.38 132.00 126.55 3i48 h PRO 72 Ca 0.18 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.70 3i48 h PRO 72 Cb 0.79 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.79 3i48 h PRO 72 CO 0.62 0.04 -0.27 0.71 -0.23 0.00 0.00 178.00 178.87 3i48 s TYR 73 N -3.84 3.33 -0.02 1.56 2.02 -0.66 -4.98 117.35 114.76 3i48 s TYR 73 Ca -0.01 0.48 -0.05 0.00 -0.37 0.00 0.00 57.07 57.13 3i48 s TYR 73 Cb 0.10 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.19 3i48 s TYR 73 CO 0.53 -0.05 0.10 -0.65 -1.57 0.00 0.00 175.55 173.92 3i48 s GLN 74 N 1.45 0.27 0.58 -0.62 -0.21 -1.26 -0.10 119.66 119.77 3i48 s GLN 74 Ca 0.16 -0.13 -0.08 0.00 0.02 0.00 0.00 55.36 55.33 3i48 s GLN 74 Cb -0.15 0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.96 3i48 s GLN 74 CO 0.08 -0.05 0.93 0.95 -2.12 0.00 0.00 175.29 175.08 3i48 s THR 75 N -0.62 4.37 1.19 -0.19 -4.23 -0.52 -5.02 115.64 110.62 3i48 s THR 75 Ca -0.07 0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 60.70 3i48 s THR 75 Cb -0.04 -3.72 0.28 0.00 1.34 0.00 0.00 72.50 70.36 3i48 s THR 75 CO 0.00 -0.83 1.03 -2.84 -0.54 0.00 0.00 174.62 171.45 3i48 s PRO 76 N -5.03 -1.11 -0.14 3.99 0.02 -1.26 -4.69 135.00 126.79 3i48 s PRO 76 Ca 0.53 0.46 -0.26 0.00 0.02 0.00 0.00 61.00 61.75 3i48 s PRO 76 Cb -0.11 -1.56 -0.02 0.00 0.02 0.00 0.00 34.50 32.83 3i48 s PRO 76 CO 0.49 -3.75 0.85 0.08 -0.33 0.00 0.00 177.00 174.33 3i48 s VAL 77 N -2.63 4.89 0.05 3.83 1.01 -1.26 -4.61 120.40 121.67 3i48 s VAL 77 Ca 0.68 1.68 -0.38 0.00 0.00 0.00 0.00 61.98 63.96 3i48 s VAL 77 Cb -0.19 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 31.85 3i48 s VAL 77 CO 0.60 0.06 1.19 -0.11 0.00 0.00 0.00 175.10 176.84 3i48 n LEU 78 N 4.95 0.78 0.00 3.92 7.94 -0.03 -2.24 117.00 132.33 3i48 n LEU 78 Ca 0.04 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 3i48 n LEU 78 Cb 0.49 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3i48 n LEU 78 CO 0.49 -1.51 0.00 0.61 -1.11 0.00 0.00 177.39 175.87 3i48 n GLY 79 N 1.99 0.65 0.13 -3.96 0.00 -1.26 -0.39 105.19 102.34 3i48 n GLY 79 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3i48 n GLY 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i48 h ARG 80 N 1.68 0.38 0.00 1.61 2.43 -1.83 -3.41 114.38 115.24 3i48 h ARG 80 Ca 0.00 -0.63 0.01 0.00 -0.81 0.00 0.00 59.98 58.55 3i48 h ARG 80 Cb 0.00 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3i48 h ARG 80 CO 0.00 1.29 0.08 -1.13 -1.51 0.00 0.00 179.97 178.71 3i48 n SER 81 N -4.02 -0.42 0.01 -3.80 3.41 -1.26 -5.03 113.62 102.51 3i48 n SER 81 Ca -0.14 -1.27 0.11 0.00 -0.26 0.00 0.00 58.87 57.31 3i48 n SER 81 Cb 0.89 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.53 3i48 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i48 n GLN 82 N -0.13 0.21 -2.20 4.33 6.02 -1.26 -4.95 117.38 119.41 3i48 n GLN 82 Ca -0.01 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.00 56.57 3i48 n GLN 82 Cb 0.12 -1.55 -0.01 0.00 1.02 0.00 0.00 30.24 29.82 3i48 n GLN 82 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3i48 s SER 83 N -3.61 6.47 0.00 1.08 0.01 -1.26 -3.63 113.70 112.76 3i48 s SER 83 Ca 0.05 2.48 0.00 0.00 1.31 0.00 0.00 55.95 59.79 3i48 s SER 83 Cb 0.15 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.76 3i48 s SER 83 CO 0.82 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3i48 n GLY 84 N 0.68 0.74 3.54 3.44 0.00 -1.26 -4.92 105.19 107.42 3i48 n GLY 84 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3i48 n GLY 84 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3i48 s TRP 85 N -2.74 2.72 0.18 1.61 0.52 -1.24 -4.67 118.94 115.32 3i48 s TRP 85 Ca 0.00 -0.16 -0.07 0.00 0.02 0.00 0.00 56.10 55.89 3i48 s TRP 85 Cb 0.00 -1.50 0.06 0.00 -1.15 0.00 0.00 33.47 30.89 3i48 s TRP 85 CO 0.00 0.35 1.52 -0.44 0.02 0.00 0.00 176.95 178.40 3i48 h ASP 86 N 4.22 0.84 -4.28 2.95 3.32 -1.28 -3.46 116.42 118.73 3i48 h ASP 86 Ca -0.48 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.06 3i48 h ASP 86 Cb 1.16 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 40.25 3i48 h ASP 86 CO 0.51 1.13 -0.28 -0.54 -1.72 0.00 0.00 179.24 178.34 3i48 s LYS 87 N -4.33 0.52 -0.16 3.56 -0.14 -1.22 -5.05 119.74 112.91 3i48 s LYS 87 Ca -0.09 0.25 -0.02 0.00 -1.36 0.00 0.00 55.97 54.74 3i48 s LYS 87 Cb 0.12 0.24 -0.02 0.00 -1.68 0.00 0.00 37.83 36.49 3i48 s LYS 87 CO 0.86 -0.10 -0.07 0.99 -0.76 0.00 0.00 175.35 176.26 3i48 s THR 88 N -0.37 3.50 0.35 2.17 2.01 -1.26 -1.79 115.64 120.25 3i48 s THR 88 Ca -0.05 -0.49 0.06 0.00 0.31 0.00 0.00 61.69 61.52 3i48 s THR 88 Cb -0.03 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.93 3i48 s THR 88 CO 0.02 0.49 0.24 -1.83 -0.69 0.00 0.00 174.62 172.85 3i48 s GLU 89 N 0.55 1.79 2.80 4.92 -1.05 0.42 -5.00 118.70 123.12 3i48 s GLU 89 Ca -0.05 -2.05 0.00 0.00 -0.15 0.00 0.00 54.97 52.72 3i48 s GLU 89 Cb -0.15 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.63 3i48 s GLU 89 CO 0.03 -0.60 0.00 0.41 0.95 0.00 0.00 175.26 176.05 3i48 n GLY 90 N -0.69 0.10 2.26 -3.83 0.00 -1.26 -1.15 105.19 100.61 3i48 n GLY 90 Ca 0.04 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 3i48 n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i48 n SER 91 N -1.78 5.99 -4.68 1.61 7.64 0.64 -4.70 113.62 118.34 3i48 n SER 91 Ca 0.00 -2.91 -0.47 0.00 1.01 0.00 0.00 58.87 56.50 3i48 n SER 91 Cb 0.00 -1.29 -0.04 0.00 -1.01 0.00 0.00 64.21 61.86 3i48 n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i48 n TYR 92 N 1.47 2.38 -4.29 1.43 9.36 -1.26 -4.89 117.16 121.37 3i48 n TYR 92 Ca 0.45 -0.10 -0.34 0.00 3.32 0.00 0.00 57.90 61.23 3i48 n TYR 92 Cb 0.69 -2.70 -0.12 0.00 -0.63 0.00 0.00 39.34 36.58 3i48 n TYR 92 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3i48 s SER 93 N 4.18 4.79 0.00 2.98 0.15 -1.26 -4.98 113.70 119.55 3i48 s SER 93 Ca 0.92 -0.16 0.27 0.00 0.70 0.00 0.00 55.95 57.68 3i48 s SER 93 Cb -0.63 -1.79 1.45 0.00 -1.71 0.00 0.00 66.02 63.34 3i48 s SER 93 CO 0.49 0.13 1.94 -1.20 1.20 0.00 0.00 173.24 175.80 3i48 n SER 94 N 3.79 0.00 -0.03 5.45 7.64 -1.26 -4.04 113.62 125.17 3i48 n SER 94 Ca -0.17 -0.37 0.01 0.00 1.01 0.00 0.00 58.87 59.34 3i48 n SER 94 Cb 0.52 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3i48 n SER 94 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3i48 n THR 95 N -1.18 0.00 -1.67 0.44 -2.24 -1.26 -5.05 114.28 103.32 3i48 n THR 95 Ca 0.16 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 3i48 n THR 95 Cb 0.17 1.02 0.06 0.00 -2.10 0.00 0.00 70.33 69.47 3i48 n THR 95 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3i48 s VAL 96 N -0.44 3.20 0.25 2.28 -7.23 -1.26 -4.96 120.40 112.25 3i48 s VAL 96 Ca 0.01 0.54 0.06 0.00 -1.81 0.00 0.00 61.98 60.78 3i48 s VAL 96 Cb 0.01 -3.05 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 3i48 s VAL 96 CO 0.03 -0.37 1.58 0.00 -0.31 0.00 0.00 175.10 176.03 3i48 h ALA 97 N -0.15 0.90 -4.04 1.32 0.00 -1.91 -3.45 119.26 111.92 3i48 h ALA 97 Ca -0.46 -0.54 -0.61 0.00 0.00 0.00 0.00 54.91 53.30 3i48 h ALA 97 Cb 1.25 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.70 3i48 h ALA 97 CO 0.53 0.73 -0.85 -2.00 0.00 0.00 0.00 179.25 177.66 3i48 s GLU 98 N -3.75 1.44 0.51 0.00 2.56 -0.92 -5.03 118.70 113.50 3i48 s GLU 98 Ca -0.03 -1.05 -0.09 0.00 0.00 0.00 0.00 54.97 53.80 3i48 s GLU 98 Cb 0.12 -1.62 0.12 0.00 2.00 0.00 0.00 34.13 34.75 3i48 s GLU 98 CO 0.79 0.41 0.57 -0.40 -0.56 0.00 0.00 175.26 176.06 3i48 n ASP 99 N 1.62 -0.66 0.02 -1.70 5.68 -1.26 -1.30 116.55 118.95 3i48 n ASP 99 Ca -0.18 -1.03 0.13 0.00 -0.50 0.00 0.00 54.79 53.21 3i48 n ASP 99 Cb 0.53 -0.47 0.39 0.00 -1.14 0.00 0.00 41.12 40.43 3i48 n ASP 99 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3i48 n GLY 100 N 0.13 -1.42 2.76 6.12 0.00 0.47 -3.71 105.19 109.54 3i48 n GLY 100 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i48 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i48 n GLY 101 N 1.45 0.47 3.74 -0.02 0.00 -1.22 -4.65 105.19 104.96 3i48 n GLY 101 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3i48 n GLY 101 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i48 s VAL 102 N -2.21 5.18 0.02 1.61 1.01 -1.26 -0.46 120.40 124.30 3i48 s VAL 102 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 3i48 s VAL 102 Cb 0.00 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3i48 s VAL 102 CO 0.00 0.51 0.04 0.00 0.00 0.00 0.00 175.10 175.65 3i48 s ALA 103 N -0.11 -0.00 -0.05 5.51 0.00 -0.85 -0.85 121.76 125.41 3i48 s ALA 103 Ca 0.09 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.58 3i48 s ALA 103 Cb -0.12 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3i48 s ALA 103 CO 0.00 -0.24 -0.25 0.42 0.00 0.00 0.00 175.76 175.70 3i48 s ILE 104 N -1.99 2.04 0.14 0.00 1.01 -1.26 -0.25 121.20 120.89 3i48 s ILE 104 Ca -0.10 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.56 3i48 s ILE 104 Cb -0.05 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 3i48 s ILE 104 CO -0.02 0.57 -0.19 0.68 0.00 0.00 0.00 174.94 175.97 3i48 s VAL 105 N -0.28 1.79 -0.09 2.92 -7.23 -0.21 -1.44 120.40 115.86 3i48 s VAL 105 Ca 0.00 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.21 3i48 s VAL 105 Cb -0.13 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 35.11 3i48 s VAL 105 CO 0.02 -0.21 0.44 -0.55 -0.31 0.00 0.00 175.10 174.48 3i48 s SER 106 N -2.38 -0.39 0.00 4.85 0.15 0.85 -0.78 113.70 116.00 3i48 s SER 106 Ca 0.12 0.55 0.27 0.00 0.70 0.00 0.00 55.95 57.59 3i48 s SER 106 Cb -0.07 0.61 0.79 0.00 -1.71 0.00 0.00 66.02 65.65 3i48 s SER 106 CO 0.06 -0.35 1.60 2.29 1.20 0.00 0.00 173.24 178.03 3i48 n LYS 107 N 1.88 0.49 -4.18 5.44 2.85 -0.50 -1.66 118.16 122.48 3i48 n LYS 107 Ca -0.18 -0.26 -0.30 0.00 -1.05 0.00 0.00 58.31 56.52 3i48 n LYS 107 Cb 0.57 -1.49 -0.09 0.00 -0.65 0.00 0.00 35.03 33.37 3i48 n LYS 107 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3i48 s TYR 108 N -2.69 2.94 0.09 5.58 2.02 -1.26 -4.87 117.35 119.17 3i48 s TYR 108 Ca 0.20 -0.04 -0.36 0.00 -0.37 0.00 0.00 57.07 56.50 3i48 s TYR 108 Cb 0.19 -1.53 -0.16 0.00 -0.40 0.00 0.00 41.96 40.05 3i48 s TYR 108 CO 0.57 0.46 1.39 -2.30 -1.57 0.00 0.00 175.55 174.10 3i48 n PRO 109 N 0.72 1.32 -3.18 -1.71 -0.02 -1.26 -4.79 135.00 126.07 3i48 n PRO 109 Ca -0.12 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.42 3i48 n PRO 109 Cb 0.52 -2.14 -0.07 0.00 -0.02 0.00 0.00 33.50 31.78 3i48 n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3i48 s ILE 110 N 0.61 4.93 -0.30 4.25 1.01 -1.26 -1.45 121.20 129.00 3i48 s ILE 110 Ca 0.84 0.18 0.22 0.00 0.00 0.00 0.00 60.65 61.88 3i48 s ILE 110 Cb -0.91 -4.09 0.12 0.00 0.01 0.00 0.00 42.46 37.59 3i48 s ILE 110 CO 0.46 -0.41 1.26 0.11 0.00 0.00 0.00 174.94 176.35 3i48 h LYS 111 N 8.67 0.00 -2.30 2.79 1.79 0.00 -3.46 116.57 124.07 3i48 h LYS 111 Ca -0.26 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.14 3i48 h LYS 111 Cb 1.11 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.53 3i48 h LYS 111 CO 0.83 0.05 -0.05 -2.00 -1.08 0.00 0.00 179.45 177.20 3i48 s GLU 112 N -3.25 0.66 -0.08 3.15 2.12 -1.16 -4.96 118.70 115.18 3i48 s GLU 112 Ca 0.02 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.24 3i48 s GLU 112 Cb 0.08 0.26 0.02 0.00 0.26 0.00 0.00 34.13 34.75 3i48 s GLU 112 CO 0.75 -0.10 -0.05 -1.59 -0.54 0.00 0.00 175.26 173.72 3i48 s LYS 113 N 0.68 1.10 -0.05 4.30 -2.85 -1.26 -1.46 119.74 120.21 3i48 s LYS 113 Ca -0.03 -0.13 0.04 0.00 -1.00 0.00 0.00 55.97 54.85 3i48 s LYS 113 Cb -0.05 -1.18 -0.00 0.00 -2.06 0.00 0.00 37.83 34.54 3i48 s LYS 113 CO -0.05 -0.18 -0.17 0.42 0.10 0.00 0.00 175.35 175.47 3i48 s ILE 114 N 1.42 1.41 -0.04 3.79 1.01 0.29 -0.72 121.20 128.36 3i48 s ILE 114 Ca -0.02 -0.70 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 3i48 s ILE 114 Cb -0.13 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3i48 s ILE 114 CO -0.03 0.41 0.03 0.00 0.00 0.00 0.00 174.94 175.34 3i48 s GLN 115 N 0.08 2.96 -0.10 2.79 -2.07 -0.74 -0.27 119.66 122.32 3i48 s GLN 115 Ca -0.05 -0.48 -0.02 0.00 -1.82 0.00 0.00 55.36 52.99 3i48 s GLN 115 Cb -0.12 -2.79 0.04 0.00 -1.09 0.00 0.00 33.01 29.05 3i48 s GLN 115 CO 0.02 0.66 0.02 -1.58 -1.32 0.00 0.00 175.29 173.10 3i48 s HIS 116 N -1.05 0.64 -0.16 9.60 2.46 -0.20 -0.44 115.29 126.15 3i48 s HIS 116 Ca 0.18 -0.26 -0.15 0.00 0.47 0.00 0.00 55.06 55.31 3i48 s HIS 116 Cb -0.12 -0.80 -0.04 0.00 -0.13 0.00 0.00 32.58 31.49 3i48 s HIS 116 CO 0.08 -0.38 0.34 0.08 -2.47 0.00 0.00 174.74 172.40 3i48 s VAL 117 N 1.98 5.27 0.44 0.89 1.01 -0.30 -0.47 120.40 129.22 3i48 s VAL 117 Ca 0.04 0.64 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 3i48 s VAL 117 Cb -0.13 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3i48 s VAL 117 CO -0.06 0.35 1.44 0.49 0.00 0.00 0.00 175.10 177.32 3i48 n PHE 118 N 3.76 2.73 -0.31 5.22 3.72 0.16 -0.26 117.46 132.49 3i48 n PHE 118 Ca -0.10 0.44 -0.05 0.00 -0.05 0.00 0.00 57.45 57.68 3i48 n PHE 118 Cb 0.52 -2.47 0.07 0.00 -0.94 0.00 0.00 39.48 36.66 3i48 n PHE 118 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3i48 h LYS 119 N 2.38 1.22 -6.54 -1.08 6.56 -1.93 -3.39 116.57 113.79 3i48 h LYS 119 Ca -0.51 -0.20 -0.65 0.00 -1.06 0.00 0.00 60.65 58.24 3i48 h LYS 119 Cb 1.27 -0.21 -0.18 0.00 -0.57 0.00 0.00 32.23 32.54 3i48 h LYS 119 CO 0.61 0.96 -0.81 -1.12 -2.06 0.00 0.00 179.45 177.03 3i48 s SER 120 N -6.32 3.45 -0.24 0.86 0.01 -1.26 -4.98 113.70 105.22 3i48 s SER 120 Ca -0.12 -0.90 -0.27 0.00 1.31 0.00 0.00 55.95 55.97 3i48 s SER 120 Cb 0.16 -0.26 0.13 0.00 0.21 0.00 0.00 66.02 66.26 3i48 s SER 120 CO 0.84 0.11 1.07 -0.83 0.41 0.00 0.00 173.24 174.83 3i48 s GLY 121 N -2.81 -0.14 0.29 3.44 0.00 -1.26 -4.98 107.32 101.85 3i48 s GLY 121 Ca 0.22 2.55 0.07 0.00 0.00 0.00 0.00 44.72 47.56 3i48 s GLY 121 CO 0.11 1.56 -0.08 0.00 0.00 0.00 0.00 173.10 174.69 3i48 n GLY 123 N -0.62 3.14 0.23 0.00 0.00 -1.25 -2.35 105.19 104.34 3i48 n GLY 123 Ca -0.05 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3i48 n GLY 123 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i48 h PHE 124 N 0.00 0.00 0.00 1.61 0.04 -1.96 -2.56 116.94 114.07 3i48 h PHE 124 Ca 0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 3i48 h PHE 124 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3i48 h PHE 124 CO 0.00 0.22 -0.22 -0.44 -0.60 0.00 0.00 178.31 177.27 3i48 h ASP 125 N 0.00 0.00 -0.86 2.17 5.19 -1.83 -2.81 116.42 118.27 3i48 h ASP 125 Ca -0.00 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.60 3i48 h ASP 125 Cb 0.48 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.93 3i48 h ASP 125 CO 0.03 0.22 0.57 -1.13 -3.12 0.00 0.00 179.24 175.81 3i48 h ASN 126 N 0.00 0.41 -1.14 6.45 -1.24 -1.44 -2.90 115.58 115.72 3i48 h ASN 126 Ca -0.00 0.04 -0.55 0.00 0.71 0.00 0.00 56.30 56.50 3i48 h ASN 126 Cb 0.51 -0.04 -0.21 0.00 0.73 0.00 0.00 38.32 39.31 3i48 h ASN 126 CO 0.03 0.18 0.62 -0.67 -1.29 0.00 0.00 177.43 176.29 3i48 n ASP 127 N -4.50 6.88 -3.66 1.15 2.03 -1.06 -4.90 116.55 112.49 3i48 n ASP 127 Ca 0.18 -3.40 -0.10 0.00 0.52 0.00 0.00 54.79 51.99 3i48 n ASP 127 Cb 0.65 -1.13 -0.05 0.00 -0.72 0.00 0.00 41.12 39.88 3i48 n ASP 127 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3i48 s SER 128 N -0.31 -0.23 -0.61 1.67 1.04 -1.10 -2.16 113.70 112.02 3i48 s SER 128 Ca 0.53 -0.36 -0.02 0.00 0.48 0.00 0.00 55.95 56.58 3i48 s SER 128 Cb 0.39 0.48 0.37 0.00 0.10 0.00 0.00 66.02 67.36 3i48 s SER 128 CO -0.19 -0.88 2.07 0.59 0.98 0.00 0.00 173.24 175.81 3i48 n ASN 129 N -0.24 7.37 -4.65 7.02 5.03 -0.42 -4.94 115.26 124.42 3i48 n ASN 129 Ca -0.15 -3.61 -0.39 0.00 0.87 0.00 0.00 54.58 51.30 3i48 n ASN 129 Cb 0.64 -1.02 0.04 0.00 -1.02 0.00 0.00 39.78 38.42 3i48 n ASN 129 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i48 n LYS 130 N -0.51 1.20 0.00 3.52 5.02 -1.26 -3.54 118.16 122.59 3i48 n LYS 130 Ca 0.54 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 57.28 3i48 n LYS 130 Cb 0.58 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3i48 n LYS 130 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i48 n GLY 131 N 1.12 -0.76 3.08 0.72 0.00 -1.26 -0.66 105.19 107.43 3i48 n GLY 131 Ca 0.12 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3i48 n GLY 131 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i48 s PHE 132 N -4.00 0.51 -0.11 1.61 -0.71 0.38 -3.56 117.98 112.10 3i48 s PHE 132 Ca 0.00 -1.02 0.03 0.00 -1.04 0.00 0.00 56.93 54.90 3i48 s PHE 132 Cb 0.00 -0.38 -0.00 0.00 -1.21 0.00 0.00 43.02 41.43 3i48 s PHE 132 CO 0.00 -0.36 -0.21 0.08 -1.34 0.00 0.00 175.22 173.39 3i48 s VAL 133 N -3.70 2.25 -0.14 -2.49 1.01 0.34 -1.03 120.40 116.63 3i48 s VAL 133 Ca 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3i48 s VAL 133 Cb 0.06 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3i48 s VAL 133 CO -0.09 0.55 -0.03 -0.47 0.00 0.00 0.00 175.10 175.06 3i48 s TYR 134 N 0.43 3.05 -0.01 5.22 5.04 0.62 -0.50 117.35 131.21 3i48 s TYR 134 Ca -0.15 -0.20 0.06 0.00 -2.44 0.00 0.00 57.07 54.33 3i48 s TYR 134 Cb -0.17 -1.93 -0.02 0.00 0.35 0.00 0.00 41.96 40.19 3i48 s TYR 134 CO 0.06 0.05 -0.18 0.95 -1.34 0.00 0.00 175.55 175.10 3i48 s THR 135 N 0.16 1.42 -0.17 4.34 -4.23 0.04 -0.54 115.64 116.66 3i48 s THR 135 Ca -0.01 -0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 3i48 s THR 135 Cb -0.14 -1.19 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 3i48 s THR 135 CO 0.03 0.37 0.01 -0.75 -0.54 0.00 0.00 174.62 173.73 3i48 s LYS 136 N -0.51 3.81 -0.06 3.99 2.20 -0.54 -1.18 119.74 127.45 3i48 s LYS 136 Ca 0.07 -0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 3i48 s LYS 136 Cb -0.07 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3i48 s LYS 136 CO -0.00 0.24 -0.15 0.42 -0.36 0.00 0.00 175.35 175.50 3i48 s ILE 137 N 0.42 1.28 -0.26 5.43 1.01 0.52 0.78 121.20 130.38 3i48 s ILE 137 Ca -0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 3i48 s ILE 137 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3i48 s ILE 137 CO 0.02 0.38 0.33 -0.70 0.00 0.00 0.00 174.94 174.97 3i48 s GLU 138 N 0.35 4.04 -0.02 2.79 2.12 -0.53 -0.53 118.70 126.92 3i48 s GLU 138 Ca -0.10 -0.01 0.03 0.00 0.36 0.00 0.00 54.97 55.25 3i48 s GLU 138 Cb -0.14 -3.63 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 3i48 s GLU 138 CO 0.03 -0.20 -0.10 0.21 -0.54 0.00 0.00 175.26 174.67 3i48 s LYS 139 N 1.82 0.88 -1.26 4.30 2.20 0.67 -4.07 119.74 124.29 3i48 s LYS 139 Ca 0.14 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 3i48 s LYS 139 Cb -0.15 -0.84 0.11 0.00 -1.51 0.00 0.00 37.83 35.43 3i48 s LYS 139 CO 0.09 0.17 0.46 0.09 -0.36 0.00 0.00 175.35 175.81 3i48 n ASN 140 N 3.03 -2.81 -0.02 1.43 3.02 -1.26 -0.20 115.26 118.44 3i48 n ASN 140 Ca -0.16 -0.50 -0.00 0.00 -0.03 0.00 0.00 54.58 53.89 3i48 n ASN 140 Cb 0.56 -2.37 -0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3i48 n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i48 n GLY 141 N -1.06 0.43 3.27 7.41 0.00 -1.26 -5.00 105.19 108.98 3i48 n GLY 141 Ca 0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 3i48 n GLY 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i48 s LYS 142 N -0.53 1.10 0.14 1.61 3.01 0.71 -5.13 119.74 120.65 3i48 s LYS 142 Ca 0.00 -1.22 -0.20 0.00 -1.01 0.00 0.00 55.97 53.54 3i48 s LYS 142 Cb 0.00 -1.18 -0.07 0.00 -1.01 0.00 0.00 37.83 35.56 3i48 s LYS 142 CO 0.00 0.25 0.65 -0.80 0.51 0.00 0.00 175.35 175.96 3i48 s ASN 143 N -2.23 7.10 0.07 2.83 0.01 -1.26 -0.23 114.94 121.23 3i48 s ASN 143 Ca 0.09 1.36 0.02 0.00 -0.71 0.00 0.00 52.86 53.61 3i48 s ASN 143 Cb -0.08 -2.40 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 3i48 s ASN 143 CO 0.04 0.17 -0.07 0.54 -1.51 0.00 0.00 177.10 176.28 3i48 s VAL 144 N -1.28 0.58 -0.02 1.60 0.11 0.31 -4.54 120.40 117.16 3i48 s VAL 144 Ca 0.35 -1.56 0.05 0.00 -2.93 0.00 0.00 61.98 57.90 3i48 s VAL 144 Cb -0.19 -1.20 -0.01 0.00 -1.53 0.00 0.00 36.38 33.45 3i48 s VAL 144 CO 0.21 -0.68 -0.17 -1.00 -3.33 0.00 0.00 175.10 170.13 3i48 s HIS 145 N -2.69 1.58 -0.05 1.54 0.09 -0.54 -0.35 115.29 114.87 3i48 s HIS 145 Ca 0.02 -0.34 -0.01 0.00 -0.00 0.00 0.00 55.06 54.74 3i48 s HIS 145 Cb -0.01 -1.03 0.03 0.00 -0.00 0.00 0.00 32.58 31.57 3i48 s HIS 145 CO -0.03 -0.06 0.01 0.08 -0.00 0.00 0.00 174.74 174.75 3i48 s VAL 146 N -0.29 0.19 -0.14 -0.90 1.01 -0.33 -0.94 120.40 118.99 3i48 s VAL 146 Ca 0.04 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 3i48 s VAL 146 Cb -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3i48 s VAL 146 CO -0.00 0.20 -0.05 -0.63 0.00 0.00 0.00 175.10 174.62 3i48 s ILE 147 N 1.66 3.75 -0.03 2.22 1.01 0.40 -0.78 121.20 129.44 3i48 s ILE 147 Ca -0.01 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.29 3i48 s ILE 147 Cb -0.13 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 3i48 s ILE 147 CO -0.03 0.51 -0.21 -0.83 0.00 0.00 0.00 174.94 174.37 3i48 s GLY 148 N 0.25 1.38 0.24 6.18 0.00 0.35 -1.01 107.32 114.71 3i48 s GLY 148 Ca -0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.50 3i48 s GLY 148 CO 0.03 -0.88 0.43 -1.08 0.00 0.00 0.00 173.10 171.60 3i48 s THR 149 N -0.67 0.00 -0.20 0.90 -1.32 -0.05 -0.51 115.64 113.79 3i48 s THR 149 Ca 0.11 -1.50 -0.04 0.00 -1.21 0.00 0.00 61.69 59.04 3i48 s THR 149 Cb -0.10 -2.26 0.10 0.00 -1.51 0.00 0.00 72.50 68.73 3i48 s THR 149 CO -0.00 0.00 0.34 -2.28 -2.21 0.00 0.00 174.62 170.47 3i48 s HIS 150 N -4.03 -0.65 0.53 9.09 2.46 -1.23 -2.60 115.29 118.86 3i48 s HIS 150 Ca 0.25 0.96 0.08 0.00 0.47 0.00 0.00 55.06 56.81 3i48 s HIS 150 Cb 0.00 0.03 0.06 0.00 -0.13 0.00 0.00 32.58 32.54 3i48 s HIS 150 CO 0.10 -0.56 0.73 0.95 -2.47 0.00 0.00 174.74 173.49 3i48 s THR 151 N 2.50 2.47 -0.07 0.89 -4.23 -0.69 -4.26 115.64 112.25 3i48 s THR 151 Ca 0.06 -0.94 -0.39 0.00 -1.18 0.00 0.00 61.69 59.24 3i48 s THR 151 Cb -0.14 -2.53 -0.17 0.00 1.34 0.00 0.00 72.50 71.00 3i48 s THR 151 CO -0.13 0.00 1.46 1.67 -0.54 0.00 0.00 174.62 177.08 3i48 n GLN 152 N -2.17 0.98 -2.60 3.99 -0.06 -1.26 -4.82 117.38 111.44 3i48 n GLN 152 Ca 0.13 0.35 -0.36 0.00 -2.00 0.00 0.00 57.00 55.12 3i48 n GLN 152 Cb 0.60 -1.99 -0.05 0.00 -4.06 0.00 0.00 30.24 24.75 3i48 n GLN 152 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 3i48 s SER 153 N 1.54 6.80 0.02 1.69 0.01 -1.26 -4.81 113.70 117.70 3i48 s SER 153 Ca 0.91 1.96 -0.33 0.00 1.31 0.00 0.00 55.95 59.80 3i48 s SER 153 Cb -1.05 -2.58 -0.12 0.00 0.21 0.00 0.00 66.02 62.49 3i48 s SER 153 CO 0.56 -0.46 1.82 -0.62 0.41 0.00 0.00 173.24 174.95 3i48 n GLU 154 N -0.15 2.38 -3.73 12.44 4.71 -1.26 -4.89 120.64 130.13 3i48 n GLU 154 Ca 0.05 0.87 -0.14 0.00 -0.01 0.00 0.00 57.16 57.93 3i48 n GLU 154 Cb 0.50 -2.72 -0.14 0.00 -1.01 0.00 0.00 31.44 28.07 3i48 n GLU 154 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 3i48 s ASP 155 N 3.17 0.01 0.24 1.62 -1.08 -1.26 -5.03 116.67 114.34 3i48 s ASP 155 Ca 0.87 0.36 0.23 0.00 -0.52 0.00 0.00 52.55 53.50 3i48 s ASP 155 Cb -0.62 0.27 0.95 0.00 -1.46 0.00 0.00 42.92 42.06 3i48 s ASP 155 CO 0.45 -0.17 1.71 -1.54 0.52 0.00 0.00 175.17 176.13 3i48 n SER 156 N 4.44 0.65 -0.61 -0.34 3.41 -1.26 -0.93 113.62 118.97 3i48 n SER 156 Ca -0.22 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 3i48 n SER 156 Cb 0.51 -0.79 0.39 0.00 -0.26 0.00 0.00 64.21 64.07 3i48 n SER 156 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3i48 n ARG 157 N -2.20 1.82 -3.33 4.33 5.12 -1.26 -4.84 116.66 116.31 3i48 n ARG 157 Ca 0.03 -1.22 -0.33 0.00 -1.93 0.00 0.00 57.85 54.40 3i48 n ARG 157 Cb 0.25 -1.44 -0.06 0.00 -1.16 0.00 0.00 32.46 30.06 3i48 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i48 s GLY 159 N -2.22 1.67 0.13 0.00 0.00 -1.26 -4.89 107.32 100.74 3i48 s GLY 159 Ca 0.48 0.40 -0.33 0.00 0.00 0.00 0.00 44.72 45.27 3i48 s GLY 159 CO 0.20 0.82 1.72 0.00 0.00 0.00 0.00 173.10 175.84 3i48 n ALA 160 N -4.03 1.83 -0.71 3.20 0.00 -1.26 -1.62 120.51 117.91 3i48 n ALA 160 Ca 0.10 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i48 n ALA 160 Cb 0.53 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.50 3i48 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i48 n GLY 161 N 3.88 0.80 0.19 0.00 0.00 -1.26 -4.88 105.19 103.93 3i48 n GLY 161 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3i48 n GLY 161 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3i48 h HIS 162 N 0.00 0.80 -0.53 1.61 6.17 -1.65 -2.86 115.15 118.69 3i48 h HIS 162 Ca 0.00 -0.38 -0.04 0.00 0.71 0.00 0.00 60.37 60.66 3i48 h HIS 162 Cb 0.00 -0.11 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 3i48 h HIS 162 CO 0.00 1.18 0.15 0.38 0.71 0.00 0.00 177.93 180.35 3i48 h ASP 163 N 0.37 0.74 -0.35 3.26 2.03 -1.90 0.12 116.42 120.70 3i48 h ASP 163 Ca -0.06 -0.12 -0.08 0.00 -0.73 0.00 0.00 57.03 56.04 3i48 h ASP 163 Cb 1.44 -0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 3i48 h ASP 163 CO 0.15 0.72 -0.09 -0.09 -1.03 0.00 0.00 179.24 178.90 3i48 h ARG 164 N 0.78 0.69 -0.72 4.15 2.43 -1.94 0.85 114.38 120.63 3i48 h ARG 164 Ca 0.18 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3i48 h ARG 164 Cb 0.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 3i48 h ARG 164 CO -0.01 0.85 0.25 0.87 -1.51 0.00 0.00 179.97 180.42 3i48 h LYS 165 N 0.48 1.10 -0.36 0.20 1.57 -1.21 -1.84 116.57 116.51 3i48 h LYS 165 Ca 0.09 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3i48 h LYS 165 Cb 0.60 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3i48 h LYS 165 CO 0.04 0.93 0.07 0.82 -0.57 0.00 0.00 179.45 180.73 3i48 h ILE 166 N 1.04 1.23 -1.01 1.86 2.04 -0.59 -2.45 117.51 119.64 3i48 h ILE 166 Ca 0.23 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.37 3i48 h ILE 166 Cb 0.27 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 3i48 h ILE 166 CO -0.01 0.27 0.65 0.03 0.00 0.00 0.00 178.15 179.09 3i48 h ARG 167 N 0.42 1.09 -0.35 2.37 3.08 -0.54 -0.53 114.38 119.93 3i48 h ARG 167 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3i48 h ARG 167 Cb 0.33 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i48 h ARG 167 CO 0.00 0.72 0.17 0.00 -1.07 0.00 0.00 179.97 179.80 3i48 h ALA 168 N 1.48 0.46 -0.31 0.04 0.00 -1.10 0.44 119.26 120.26 3i48 h ALA 168 Ca 0.45 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.27 3i48 h ALA 168 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i48 h ALA 168 CO -0.20 0.01 0.19 1.49 0.00 0.00 0.00 179.25 180.75 3i48 h GLU 169 N 0.44 0.38 -0.37 0.00 4.81 -0.93 -0.60 114.58 118.31 3i48 h GLU 169 Ca 0.12 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3i48 h GLU 169 Cb 0.11 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3i48 h GLU 169 CO -0.02 0.25 0.21 1.96 -0.73 0.00 0.00 179.01 180.69 3i48 h GLN 170 N 0.40 0.42 -0.47 1.92 4.20 -0.89 0.03 115.11 120.71 3i48 h GLN 170 Ca 0.12 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3i48 h GLN 170 Cb -0.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 3i48 h GLN 170 CO -0.04 0.28 -0.09 0.52 -0.67 0.00 0.00 178.83 178.82 3i48 h MET 171 N 0.43 0.85 -0.66 1.46 2.86 -0.73 -0.53 114.93 118.61 3i48 h MET 171 Ca 0.15 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 3i48 h MET 171 Cb 0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 3i48 h MET 171 CO -0.08 0.91 0.43 0.87 1.06 0.00 0.00 176.91 180.10 3i48 h LYS 172 N 0.77 0.65 -0.45 1.72 1.57 -0.61 -1.49 116.57 118.72 3i48 h LYS 172 Ca 0.13 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3i48 h LYS 172 Cb 0.59 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3i48 h LYS 172 CO 0.04 0.43 0.03 0.93 -0.57 0.00 0.00 179.45 180.31 3i48 h GLU 173 N 0.67 0.71 -0.08 3.15 5.08 0.62 0.18 114.58 124.91 3i48 h GLU 173 Ca 0.28 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3i48 h GLU 173 Cb 0.26 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i48 h GLU 173 CO -0.09 0.71 -0.04 0.82 -1.00 0.00 0.00 179.01 179.41 3i48 h ILE 174 N 0.68 1.32 -0.36 3.13 2.04 -0.87 -0.39 117.51 123.05 3i48 h ILE 174 Ca 0.14 -1.03 -0.12 0.00 1.00 0.00 0.00 64.86 64.85 3i48 h ILE 174 Cb 0.37 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3i48 h ILE 174 CO 0.01 0.29 -0.27 0.77 0.00 0.00 0.00 178.15 178.95 3i48 h SER 175 N -0.19 0.77 -0.25 1.72 4.64 -1.12 -1.23 113.55 117.90 3i48 h SER 175 Ca 0.02 -0.30 0.03 0.00 -0.47 0.00 0.00 61.79 61.07 3i48 h SER 175 Cb 0.47 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 3i48 h SER 175 CO 0.01 1.00 0.06 0.44 -0.87 0.00 0.00 176.83 177.47 3i48 h ASP 176 N 0.65 0.03 -0.49 4.97 3.32 -0.64 -1.22 116.42 123.04 3i48 h ASP 176 Ca 0.08 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.25 3i48 h ASP 176 Cb 0.79 0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 3i48 h ASP 176 CO 0.06 0.05 0.06 0.15 -1.72 0.00 0.00 179.24 177.85 3i48 h PHE 177 N 0.16 0.09 -0.36 4.55 3.57 -0.72 0.78 116.94 125.01 3i48 h PHE 177 Ca 0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 3i48 h PHE 177 Cb 0.10 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3i48 h PHE 177 CO -0.15 -0.04 0.10 0.28 -2.23 0.00 0.00 178.31 176.27 3i48 h VAL 178 N 0.19 1.22 0.44 1.41 2.07 -0.95 0.32 116.25 120.94 3i48 h VAL 178 Ca 0.25 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3i48 h VAL 178 Cb 0.34 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3i48 h VAL 178 CO -0.35 0.24 -0.52 0.50 0.02 0.00 0.00 177.57 177.47 3i48 h LYS 179 N 0.43 -0.94 0.00 1.57 1.63 -0.92 -2.96 116.57 115.38 3i48 h LYS 179 Ca 0.11 0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3i48 h LYS 179 Cb 0.27 0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.11 3i48 h LYS 179 CO -0.00 -0.62 -0.13 1.57 -3.45 0.00 0.00 179.45 176.81 3i48 h LYS 180 N -0.97 0.00 0.00 1.90 2.10 -0.73 -1.41 116.57 117.45 3i48 h LYS 180 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3i48 h LYS 180 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3i48 h LYS 180 CO -0.10 0.13 0.00 1.17 -2.00 0.00 0.00 179.45 178.65 3i48 n LYS 181 N -3.46 0.15 -3.87 0.07 3.00 0.09 -4.90 118.16 109.23 3i48 n LYS 181 Ca -0.01 0.39 -0.32 0.00 -0.00 0.00 0.00 58.31 58.37 3i48 n LYS 181 Cb 0.29 -1.78 0.01 0.00 0.00 0.00 0.00 35.03 33.55 3i48 n LYS 181 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3i48 n ASN 182 N -2.06 -3.04 -4.75 3.14 5.15 -0.53 -4.93 115.26 108.24 3i48 n ASN 182 Ca 0.02 -1.07 -0.40 0.00 -0.60 0.00 0.00 54.58 52.53 3i48 n ASN 182 Cb 0.21 -2.91 -0.05 0.00 -0.53 0.00 0.00 39.78 36.50 3i48 n ASN 182 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i48 s ILE 183 N -3.70 3.97 0.11 -1.44 1.01 -1.26 -4.98 121.20 114.91 3i48 s ILE 183 Ca 0.29 1.85 -0.36 0.00 0.00 0.00 0.00 60.65 62.43 3i48 s ILE 183 Cb -0.12 -4.18 -0.16 0.00 0.01 0.00 0.00 42.46 38.01 3i48 s ILE 183 CO 0.90 0.39 1.39 -2.65 0.00 0.00 0.00 174.94 174.97 3i48 n PRO 184 N 1.83 1.42 0.25 2.79 -0.02 -1.26 -4.86 135.00 135.14 3i48 n PRO 184 Ca -0.00 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.17 3i48 n PRO 184 Cb 0.47 -2.18 0.88 0.00 -0.02 0.00 0.00 33.50 32.65 3i48 n PRO 184 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i48 h LYS 185 N 4.84 0.00 -0.30 -0.52 1.79 -1.94 -0.80 116.57 119.64 3i48 h LYS 185 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3i48 h LYS 185 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 3i48 h LYS 185 CO 0.80 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.77 3i48 n ASP 186 N -3.47 1.49 -4.54 0.86 5.75 -1.26 -0.97 116.55 114.40 3i48 n ASP 186 Ca 0.01 -2.02 -0.33 0.00 -0.01 0.00 0.00 54.79 52.44 3i48 n ASP 186 Cb 0.32 -0.20 -0.12 0.00 -1.03 0.00 0.00 41.12 40.10 3i48 n ASP 186 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3i48 s GLU 187 N -1.65 2.53 0.16 0.11 2.02 -0.31 -4.73 118.70 116.84 3i48 s GLU 187 Ca 0.18 -0.70 -0.28 0.00 0.02 0.00 0.00 54.97 54.19 3i48 s GLU 187 Cb 0.10 -2.45 -0.07 0.00 0.10 0.00 0.00 34.13 31.80 3i48 s GLU 187 CO 0.12 0.62 0.86 0.99 0.02 0.00 0.00 175.26 177.86 3i48 s THR 188 N -0.87 4.36 -0.32 3.63 2.01 -1.26 -3.00 115.64 120.19 3i48 s THR 188 Ca 0.14 1.88 0.03 0.00 0.31 0.00 0.00 61.69 64.05 3i48 s THR 188 Cb -0.11 -4.23 0.09 0.00 0.01 0.00 0.00 72.50 68.26 3i48 s THR 188 CO 0.04 0.45 0.01 -0.69 -0.69 0.00 0.00 174.62 173.74 3i48 s VAL 189 N -0.77 2.34 0.23 3.82 1.01 -1.26 -1.47 120.40 124.31 3i48 s VAL 189 Ca 0.40 -2.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.01 3i48 s VAL 189 Cb -0.24 -2.60 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 3i48 s VAL 189 CO 0.28 -0.41 1.03 -0.31 0.00 0.00 0.00 175.10 175.69 3i48 s TYR 190 N 0.99 3.75 -0.13 5.22 2.02 -0.12 -0.52 117.35 128.56 3i48 s TYR 190 Ca 0.04 1.77 -0.01 0.00 -0.37 0.00 0.00 57.07 58.50 3i48 s TYR 190 Cb -0.20 -3.15 0.03 0.00 -0.40 0.00 0.00 41.96 38.24 3i48 s TYR 190 CO -0.07 -0.14 -0.05 0.42 -1.57 0.00 0.00 175.55 174.15 3i48 s ILE 191 N -0.88 0.91 0.04 2.71 1.01 0.63 -0.45 121.20 125.17 3i48 s ILE 191 Ca 0.44 -0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3i48 s ILE 191 Cb -0.29 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3i48 s ILE 191 CO 0.36 0.22 0.11 -0.83 0.00 0.00 0.00 174.94 174.80 3i48 s GLY 192 N 1.74 0.16 0.00 6.18 0.00 -0.18 -0.40 107.32 114.82 3i48 s GLY 192 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.21 3i48 s GLY 192 CO -0.08 -0.68 0.00 0.61 0.00 0.00 0.00 173.10 172.95 3i48 n GLY 193 N 0.72 -0.19 3.43 0.20 0.00 -0.03 -0.87 105.19 108.45 3i48 n GLY 193 Ca -0.19 -1.48 -0.44 0.00 0.00 0.00 0.00 46.02 43.92 3i48 n GLY 193 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3i48 s ASP 194 N -4.00 6.21 0.00 1.61 -1.08 -1.07 -1.35 116.67 116.99 3i48 s ASP 194 Ca 0.00 -1.04 0.23 0.00 -0.52 0.00 0.00 52.55 51.22 3i48 s ASP 194 Cb 0.00 -2.35 0.09 0.00 -1.46 0.00 0.00 42.92 39.20 3i48 s ASP 194 CO 0.00 -1.17 1.13 0.18 0.52 0.00 0.00 175.17 175.83 3i48 n LEU 195 N 6.83 0.98 -2.49 -1.34 4.77 0.34 -1.71 117.00 124.39 3i48 n LEU 195 Ca -0.06 -0.37 -0.21 0.00 -0.03 0.00 0.00 56.01 55.35 3i48 n LEU 195 Cb 0.45 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3i48 n LEU 195 CO 0.60 0.22 -0.21 0.59 -1.33 0.00 0.00 177.39 177.26 3i48 n ASN 196 N -1.25 -5.93 -4.02 -1.43 3.02 -1.05 -4.69 115.26 99.91 3i48 n ASN 196 Ca 0.06 -0.08 -0.27 0.00 -0.03 0.00 0.00 54.58 54.26 3i48 n ASN 196 Cb 0.35 -4.89 -0.17 0.00 -0.61 0.00 0.00 39.78 34.46 3i48 n ASN 196 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i48 s VAL 197 N -3.06 1.34 0.27 2.41 1.01 -1.26 -4.81 120.40 116.29 3i48 s VAL 197 Ca 0.06 -0.54 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 3i48 s VAL 197 Cb -0.03 -1.25 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3i48 s VAL 197 CO 0.08 0.41 0.93 0.21 0.00 0.00 0.00 175.10 176.73 3i48 s ASN 198 N 1.08 7.53 0.70 3.32 2.47 -1.26 -4.43 114.94 124.35 3i48 s ASN 198 Ca -0.05 1.89 -0.17 0.00 0.42 0.00 0.00 52.86 54.95 3i48 s ASN 198 Cb -0.15 -2.59 0.01 0.00 -1.45 0.00 0.00 41.25 37.07 3i48 s ASN 198 CO -0.02 0.08 1.17 1.17 -3.72 0.00 0.00 177.10 175.78 3i48 n LYS 199 N 1.16 0.75 -1.00 0.43 4.81 -1.11 -3.29 118.16 119.92 3i48 n LYS 199 Ca -0.01 0.32 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3i48 n LYS 199 Cb 0.48 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.12 3i48 n LYS 199 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i48 n GLY 200 N 0.92 0.30 3.96 3.14 0.00 -1.26 -4.94 105.19 107.31 3i48 n GLY 200 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 3i48 n GLY 200 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i48 s THR 201 N -1.60 4.58 0.28 2.61 -4.23 -1.21 -5.01 115.64 111.05 3i48 s THR 201 Ca 0.00 -1.04 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3i48 s THR 201 Cb 0.00 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.53 3i48 s THR 201 CO 0.00 -0.24 1.89 -0.65 -0.54 0.00 0.00 174.62 175.08 3i48 h PRO 202 N 1.07 1.09 0.00 3.99 0.11 -1.94 -2.04 132.00 134.27 3i48 h PRO 202 Ca -0.49 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3i48 h PRO 202 Cb 1.24 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3i48 h PRO 202 CO 0.57 0.72 -0.09 1.49 -0.21 0.00 0.00 178.00 180.48 3i48 h GLU 203 N 1.12 0.00 -0.67 1.05 4.81 -1.95 -2.50 114.58 116.45 3i48 h GLU 203 Ca 0.42 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.68 3i48 h GLU 203 Cb 0.20 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3i48 h GLU 203 CO -0.17 0.09 0.42 0.35 -0.73 0.00 0.00 179.01 178.97 3i48 h PHE 204 N 0.00 0.78 -0.74 0.92 3.57 -1.57 0.10 116.94 120.00 3i48 h PHE 204 Ca -0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 3i48 h PHE 204 Cb 0.19 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3i48 h PHE 204 CO 0.00 0.45 0.35 0.87 -2.23 0.00 0.00 178.31 177.76 3i48 h LYS 205 N 0.82 1.06 -0.90 1.11 1.79 -1.53 -1.94 116.57 116.99 3i48 h LYS 205 Ca 0.26 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 3i48 h LYS 205 Cb 0.01 -0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.42 3i48 h LYS 205 CO -0.10 0.82 0.52 -0.44 -1.08 0.00 0.00 179.45 179.17 3i48 h ASP 206 N 1.06 1.10 -0.44 0.86 3.32 -1.30 -2.82 116.42 118.18 3i48 h ASP 206 Ca 0.26 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3i48 h ASP 206 Cb 0.11 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 3i48 h ASP 206 CO -0.03 0.86 0.27 -0.03 -1.72 0.00 0.00 179.24 178.59 3i48 h MET 207 N 1.24 0.53 -0.96 3.56 1.85 -0.09 0.24 114.93 121.31 3i48 h MET 207 Ca 0.32 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.40 3i48 h MET 207 Cb -0.01 -0.12 -0.05 0.00 0.43 0.00 0.00 31.60 31.85 3i48 h MET 207 CO -0.06 0.35 0.63 -0.07 -0.40 0.00 0.00 176.91 177.37 3i48 h LEU 208 N 0.55 1.08 -0.03 3.39 3.38 -1.18 0.66 115.31 123.16 3i48 h LEU 208 Ca 0.17 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 3i48 h LEU 208 Cb -0.01 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.49 3i48 h LEU 208 CO -0.07 0.76 -0.49 0.11 0.09 0.00 0.00 178.44 178.85 3i48 h LYS 209 N 1.26 0.38 -0.39 1.13 6.56 -1.30 -1.14 116.57 123.08 3i48 h LYS 209 Ca 0.36 -0.37 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 3i48 h LYS 209 Cb -0.09 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 3i48 h LYS 209 CO -0.09 1.04 -0.11 -0.91 -2.06 0.00 0.00 179.45 177.31 3i48 h ASN 210 N -0.14 0.67 1.60 0.86 2.35 -0.30 -2.35 115.58 118.26 3i48 h ASN 210 Ca -0.05 -0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3i48 h ASN 210 Cb 1.19 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.38 3i48 h ASN 210 CO 0.10 0.81 -0.33 -0.07 -1.65 0.00 0.00 177.43 176.28 3i48 h LEU 211 N 0.62 0.00 -1.90 1.61 3.38 -0.98 -3.32 115.31 114.72 3i48 h LEU 211 Ca 0.11 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 3i48 h LEU 211 Cb 0.56 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.39 3i48 h LEU 211 CO 0.03 0.01 -0.40 -3.20 0.09 0.00 0.00 178.44 174.98 3i48 n ASN 212 N -2.85 -2.23 -4.14 -0.43 5.15 -0.72 -4.57 115.26 105.46 3i48 n ASN 212 Ca 0.03 -0.32 -0.14 0.00 -0.60 0.00 0.00 54.58 53.55 3i48 n ASN 212 Cb 0.52 -2.86 -0.11 0.00 -0.53 0.00 0.00 39.78 36.80 3i48 n ASN 212 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3i48 s VAL 213 N -3.18 0.83 0.41 3.44 -7.23 -0.51 -0.07 120.40 114.09 3i48 s VAL 213 Ca 0.02 -1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 3i48 s VAL 213 Cb -0.00 -1.11 -0.06 0.00 0.56 0.00 0.00 36.38 35.78 3i48 s VAL 213 CO 0.37 -0.47 0.74 0.20 -0.31 0.00 0.00 175.10 175.64 3i48 s ASN 214 N -2.10 6.44 0.94 4.85 0.01 -1.26 -4.63 114.94 119.19 3i48 s ASN 214 Ca -0.00 1.02 -0.12 0.00 -0.71 0.00 0.00 52.86 53.05 3i48 s ASN 214 Cb -0.06 -2.28 0.15 0.00 0.41 0.00 0.00 41.25 39.48 3i48 s ASN 214 CO 0.00 -0.42 1.12 -0.62 -1.51 0.00 0.00 177.10 175.67 3i48 s ASP 215 N -3.40 3.24 0.43 -1.22 2.15 -1.26 -4.67 116.67 111.93 3i48 s ASP 215 Ca 0.49 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.57 3i48 s ASP 215 Cb -0.10 -1.71 -0.00 0.00 -0.30 0.00 0.00 42.92 40.80 3i48 s ASP 215 CO 0.35 -2.73 0.03 1.33 -0.17 0.00 0.00 175.17 173.97 3i48 n VAL 216 N -3.90 0.00 -3.37 1.11 0.24 -1.26 -5.05 118.33 106.10 3i48 n VAL 216 Ca 0.06 -2.12 -0.32 0.00 -2.04 0.00 0.00 64.34 59.92 3i48 n VAL 216 Cb 0.58 0.51 -0.05 0.00 -1.47 0.00 0.00 33.84 33.40 3i48 n VAL 216 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i48 s LEU 217 N 0.00 4.16 0.04 1.34 1.43 -0.91 -4.97 118.68 119.76 3i48 s LEU 217 Ca 0.05 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.20 3i48 s LEU 217 Cb 0.00 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 3i48 s LEU 217 CO 0.03 -0.09 -0.23 -0.31 0.23 0.00 0.00 176.35 175.98 3i48 s TYR 218 N -1.83 2.04 0.15 0.29 2.02 -1.26 -0.29 117.35 118.47 3i48 s TYR 218 Ca 0.48 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.80 3i48 s TYR 218 Cb -0.11 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3i48 s TYR 218 CO 0.21 0.09 0.03 0.00 -1.57 0.00 0.00 175.55 174.30 3i48 s ALA 219 N -0.76 1.11 0.00 3.71 0.00 -0.01 -4.93 121.76 120.88 3i48 s ALA 219 Ca 0.09 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3i48 s ALA 219 Cb -0.09 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.72 3i48 s ALA 219 CO 0.02 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3i48 n GLY 220 N -0.17 -0.19 3.75 0.00 0.00 -1.26 -1.60 105.19 105.73 3i48 n GLY 220 Ca -0.06 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 3i48 n GLY 220 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i48 s HIS 221 N 0.00 2.40 -1.57 1.61 5.65 -1.13 -4.81 115.29 117.44 3i48 s HIS 221 Ca 0.00 1.56 0.13 0.00 0.25 0.00 0.00 55.06 57.00 3i48 s HIS 221 Cb 0.00 -3.32 0.45 0.00 -1.18 0.00 0.00 32.58 28.53 3i48 s HIS 221 CO 0.00 -2.06 1.33 0.27 -0.65 0.00 0.00 174.74 173.64 3i48 n ASN 222 N -2.32 2.96 -3.70 9.88 6.94 -1.26 -4.48 115.26 123.28 3i48 n ASN 222 Ca 0.12 -2.17 -0.13 0.00 -0.02 0.00 0.00 54.58 52.38 3i48 n ASN 222 Cb 0.51 -0.40 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 3i48 n ASN 222 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3i48 s SER 223 N -0.85 -0.24 -0.01 0.53 1.04 -1.26 -4.68 113.70 108.22 3i48 s SER 223 Ca 0.32 0.00 0.10 0.00 0.48 0.00 0.00 55.95 56.85 3i48 s SER 223 Cb 0.19 0.39 -0.14 0.00 0.10 0.00 0.00 66.02 66.56 3i48 s SER 223 CO 0.18 -0.61 0.25 0.35 0.98 0.00 0.00 173.24 174.39 3i48 n THR 224 N 0.68 0.00 -3.91 2.02 -2.24 0.11 -4.81 114.28 106.13 3i48 n THR 224 Ca -0.19 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.06 3i48 n THR 224 Cb 0.59 0.41 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 3i48 n THR 224 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i48 s TRP 225 N -2.54 2.27 -0.40 4.78 -0.00 -0.58 -0.32 118.94 122.16 3i48 s TRP 225 Ca -0.02 -1.70 0.01 0.00 -0.00 0.00 0.00 56.10 54.39 3i48 s TRP 225 Cb 0.06 -1.57 0.14 0.00 -0.00 0.00 0.00 33.47 32.11 3i48 s TRP 225 CO 0.40 -0.77 0.23 0.34 -0.00 0.00 0.00 176.95 177.16 3i48 s ASP 226 N 1.44 3.23 0.40 5.86 2.15 -1.26 -1.04 116.67 127.45 3i48 s ASP 226 Ca -0.04 -2.44 0.27 0.00 0.43 0.00 0.00 52.55 50.77 3i48 s ASP 226 Cb -0.19 -0.70 1.46 0.00 -0.30 0.00 0.00 42.92 43.20 3i48 s ASP 226 CO -0.07 -0.28 1.83 -0.65 -0.17 0.00 0.00 175.17 175.83 3i48 h PRO 227 N 6.81 0.00 0.00 4.34 0.11 -1.83 0.11 132.00 141.55 3i48 h PRO 227 Ca 0.04 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 3i48 h PRO 227 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3i48 h PRO 227 CO 0.37 0.00 -0.58 1.96 -0.21 0.00 0.00 178.00 179.54 3i48 h GLN 228 N 0.00 0.00 0.00 1.05 4.20 -1.92 -3.34 115.11 115.10 3i48 h GLN 228 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i48 h GLN 228 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3i48 h GLN 228 CO 0.00 0.55 -0.31 -1.13 -0.67 0.00 0.00 178.83 177.27 3i48 n SER 229 N -3.23 1.54 -4.59 1.46 3.41 -0.91 -5.04 113.62 106.27 3i48 n SER 229 Ca 0.01 -0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.13 3i48 n SER 229 Cb 0.76 0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 65.19 3i48 n SER 229 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3i48 s ASN 230 N -0.89 5.66 0.31 4.04 3.84 0.34 -5.00 114.94 123.23 3i48 s ASN 230 Ca 0.00 0.01 0.05 0.00 0.21 0.00 0.00 52.86 53.13 3i48 s ASN 230 Cb 0.00 -2.00 0.50 0.00 -0.55 0.00 0.00 41.25 39.20 3i48 s ASN 230 CO 0.00 0.08 1.76 0.77 -2.79 0.00 0.00 177.10 176.92 3i48 h SER 231 N 7.43 0.38 -0.00 -4.21 4.64 -1.90 0.54 113.55 120.42 3i48 h SER 231 Ca -0.37 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 3i48 h SER 231 Cb 1.17 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3i48 h SER 231 CO 0.65 0.63 -0.04 0.40 -0.87 0.00 0.00 176.83 177.60 3i48 h ILE 232 N 0.34 1.59 -0.93 0.95 2.04 -1.93 -2.30 117.51 117.27 3i48 h ILE 232 Ca 0.05 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.18 3i48 h ILE 232 Cb 0.63 2.77 -0.06 0.00 -0.74 0.00 0.00 36.82 39.42 3i48 h ILE 232 CO 0.05 0.46 0.60 0.00 0.00 0.00 0.00 178.15 179.26 3i48 h ALA 233 N 0.26 1.24 -0.34 1.87 0.00 -1.77 -1.95 119.26 118.57 3i48 h ALA 233 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i48 h ALA 233 Cb 0.78 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3i48 h ALA 233 CO 0.01 0.46 0.19 -0.22 0.00 0.00 0.00 179.25 179.68 3i48 h LYS 234 N 1.16 0.46 -0.56 0.00 3.64 -0.95 0.24 116.57 120.56 3i48 h LYS 234 Ca 0.38 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3i48 h LYS 234 Cb 0.03 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3i48 h LYS 234 CO -0.13 0.38 0.36 -0.92 -2.27 0.00 0.00 179.45 176.86 3i48 h TYR 235 N 0.43 0.72 0.11 1.91 3.20 -1.07 -1.91 116.97 120.36 3i48 h TYR 235 Ca 0.12 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.73 3i48 h TYR 235 Cb 0.04 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.07 3i48 h TYR 235 CO -0.03 0.48 -1.24 -0.91 -1.64 0.00 0.00 178.16 174.82 3i48 h ASN 236 N 0.76 0.37 -2.03 -2.11 2.35 -1.18 -3.40 115.58 110.33 3i48 h ASN 236 Ca 0.20 -0.40 -0.56 0.00 -0.55 0.00 0.00 56.30 54.99 3i48 h ASN 236 Cb -0.05 -0.12 -0.39 0.00 0.05 0.00 0.00 38.32 37.81 3i48 h ASN 236 CO -0.04 1.32 -1.08 -1.22 -1.65 0.00 0.00 177.43 174.75 3i48 n TYR 237 N -3.50 -0.25 -0.02 1.19 4.01 0.84 -4.95 117.16 114.49 3i48 n TYR 237 Ca -0.08 -3.57 0.21 0.00 -0.16 0.00 0.00 57.90 54.30 3i48 n TYR 237 Cb 1.02 -0.32 0.69 0.00 -0.31 0.00 0.00 39.34 40.41 3i48 n TYR 237 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i48 h PRO 238 N 4.10 0.01 -0.55 -0.72 0.11 -1.51 -0.42 132.00 133.03 3i48 h PRO 238 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3i48 h PRO 238 Cb 0.87 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3i48 h PRO 238 CO 0.47 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.36 3i48 n ASN 239 N -4.37 3.59 -4.79 -2.05 3.02 -1.26 -4.93 115.26 104.46 3i48 n ASN 239 Ca 0.11 -1.99 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 3i48 n ASN 239 Cb 0.63 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 3i48 n ASN 239 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i48 s GLY 240 N -1.25 2.27 -0.00 7.41 0.00 -0.17 -5.02 107.32 110.56 3i48 s GLY 240 Ca 0.43 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.51 3i48 s GLY 240 CO 0.32 0.86 0.46 -1.59 0.00 0.00 0.00 173.10 173.15 3i48 s LYS 241 N -3.83 4.06 0.44 2.90 -2.85 -1.26 -4.63 119.74 114.58 3i48 s LYS 241 Ca 0.66 0.50 -0.25 0.00 -1.00 0.00 0.00 55.97 55.88 3i48 s LYS 241 Cb -0.18 -3.26 -0.08 0.00 -2.06 0.00 0.00 37.83 32.25 3i48 s LYS 241 CO 0.34 0.59 1.32 -2.14 0.10 0.00 0.00 175.35 175.56 3i48 s PRO 242 N -0.79 3.78 0.16 1.78 0.02 -1.26 -4.80 135.00 133.89 3i48 s PRO 242 Ca 0.25 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3i48 s PRO 242 Cb -0.17 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3i48 s PRO 242 CO 0.14 -0.66 0.04 -1.21 -0.33 0.00 0.00 177.00 174.99 3i48 s GLU 243 N -2.42 1.03 -0.32 5.54 2.02 -0.21 -5.01 118.70 119.34 3i48 s GLU 243 Ca 0.60 -1.50 0.03 0.00 0.02 0.00 0.00 54.97 54.13 3i48 s GLU 243 Cb -0.39 0.04 0.09 0.00 0.10 0.00 0.00 34.13 33.97 3i48 s GLU 243 CO 0.49 -0.22 0.01 -1.58 0.02 0.00 0.00 175.26 173.97 3i48 s HIS 244 N -3.90 3.60 -0.03 1.61 5.65 -1.26 -0.71 115.29 120.24 3i48 s HIS 244 Ca 0.25 -2.75 0.01 0.00 0.25 0.00 0.00 55.06 52.82 3i48 s HIS 244 Cb 0.07 -2.62 -0.01 0.00 -1.18 0.00 0.00 32.58 28.84 3i48 s HIS 244 CO 0.04 -0.93 0.03 1.28 -0.65 0.00 0.00 174.74 174.51 3i48 n LEU 245 N 4.33 0.03 -4.51 8.88 4.77 -1.26 -2.74 117.00 126.49 3i48 n LEU 245 Ca -0.02 -0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 55.27 3i48 n LEU 245 Cb 0.42 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.39 3i48 n LEU 245 CO 0.22 0.01 -0.38 -1.81 -1.33 0.00 0.00 177.39 174.10 3i48 s ASP 246 N -1.37 4.60 0.05 -1.43 1.11 -1.26 -0.50 116.67 117.86 3i48 s ASP 246 Ca 0.00 -0.12 -0.11 0.00 0.18 0.00 0.00 52.55 52.51 3i48 s ASP 246 Cb 0.01 -1.49 0.01 0.00 1.07 0.00 0.00 42.92 42.52 3i48 s ASP 246 CO 0.04 0.25 0.24 -0.31 1.18 0.00 0.00 175.17 176.56 3i48 s TYR 247 N -0.14 0.01 -0.12 4.23 2.02 -0.45 -4.98 117.35 117.91 3i48 s TYR 247 Ca 0.02 -0.24 -0.00 0.00 -0.37 0.00 0.00 57.07 56.48 3i48 s TYR 247 Cb -0.13 0.02 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 3i48 s TYR 247 CO 0.03 -0.48 -0.09 0.42 -1.57 0.00 0.00 175.55 173.86 3i48 s ILE 248 N -2.79 1.15 0.51 2.71 1.01 -1.26 -0.85 121.20 121.68 3i48 s ILE 248 Ca -0.03 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3i48 s ILE 248 Cb -0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3i48 s ILE 248 CO -0.05 0.38 0.09 -0.36 0.00 0.00 0.00 174.94 175.00 3i48 s PHE 249 N 1.66 1.87 0.08 3.97 0.08 0.46 -4.84 117.98 121.26 3i48 s PHE 249 Ca 0.05 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.25 3i48 s PHE 249 Cb -0.13 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 3i48 s PHE 249 CO -0.09 0.10 -0.16 0.95 -0.10 0.00 0.00 175.22 175.93 3i48 s THR 250 N -2.84 1.28 0.23 0.64 -4.23 -1.26 -0.27 115.64 109.18 3i48 s THR 250 Ca 0.13 -1.40 -0.31 0.00 -1.18 0.00 0.00 61.69 58.93 3i48 s THR 250 Cb 0.01 -1.23 -0.11 0.00 1.34 0.00 0.00 72.50 72.51 3i48 s THR 250 CO 0.08 -0.20 1.66 -0.62 -0.54 0.00 0.00 174.62 175.00 3i48 s ASP 251 N -1.84 6.41 0.00 3.99 2.15 0.33 -3.99 116.67 123.72 3i48 s ASP 251 Ca 0.01 2.85 0.30 0.00 0.43 0.00 0.00 52.55 56.14 3i48 s ASP 251 Cb -0.10 -2.61 1.39 0.00 -0.30 0.00 0.00 42.92 41.30 3i48 s ASP 251 CO 0.03 -0.93 2.00 2.29 -0.17 0.00 0.00 175.17 178.38 3i48 n LYS 252 N 3.46 0.22 0.00 4.34 2.85 0.90 -2.73 118.16 127.19 3i48 n LYS 252 Ca 0.13 -0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.51 3i48 n LYS 252 Cb 0.36 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.28 3i48 n LYS 252 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3i48 n ASP 253 N -1.39 2.08 -4.84 -5.58 8.00 -1.26 -4.94 116.55 108.62 3i48 n ASP 253 Ca 0.11 -1.53 -0.24 0.00 0.71 0.00 0.00 54.79 53.84 3i48 n ASP 253 Cb 0.29 0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.74 3i48 n ASP 253 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3i48 s HIS 254 N -2.42 2.37 0.14 1.24 3.76 -1.11 -4.77 115.29 114.50 3i48 s HIS 254 Ca 0.20 -0.62 -0.34 0.00 -0.15 0.00 0.00 55.06 54.15 3i48 s HIS 254 Cb 0.18 -2.03 -0.14 0.00 1.11 0.00 0.00 32.58 31.71 3i48 s HIS 254 CO 0.53 -0.12 1.57 1.17 -0.85 0.00 0.00 174.74 177.04 3i48 n LYS 255 N -1.51 2.03 -3.18 1.40 4.81 -0.15 -4.88 118.16 116.69 3i48 n LYS 255 Ca 0.00 0.73 -0.39 0.00 -0.87 0.00 0.00 58.31 57.79 3i48 n LYS 255 Cb 0.63 -2.49 -0.06 0.00 0.02 0.00 0.00 35.03 33.14 3i48 n LYS 255 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3i48 s GLN 256 N 1.04 4.33 1.04 1.64 -1.52 -1.26 -4.30 119.66 120.62 3i48 s GLN 256 Ca 0.80 0.82 -0.13 0.00 -1.95 0.00 0.00 55.36 54.91 3i48 s GLN 256 Cb -0.71 -3.30 0.21 0.00 -0.22 0.00 0.00 33.01 28.99 3i48 s GLN 256 CO 0.40 0.48 1.08 -1.25 -0.25 0.00 0.00 175.29 175.75 3i48 s PRO 257 N -0.60 0.12 0.07 2.91 0.05 -1.26 -4.95 135.00 131.34 3i48 s PRO 257 Ca 0.32 0.52 -0.33 0.00 0.05 0.00 0.00 61.00 61.56 3i48 s PRO 257 Cb -0.19 -1.70 -0.17 0.00 0.05 0.00 0.00 34.50 32.49 3i48 s PRO 257 CO 0.20 -2.94 1.51 0.87 0.05 0.00 0.00 177.00 176.69 3i48 h LYS 258 N -2.04 -0.98 -2.25 4.56 1.57 -1.97 -3.38 116.57 112.08 3i48 h LYS 258 Ca -0.56 0.07 -0.34 0.00 -1.87 0.00 0.00 60.65 57.95 3i48 h LYS 258 Cb 1.34 0.22 -0.34 0.00 0.08 0.00 0.00 32.23 33.53 3i48 h LYS 258 CO 0.57 -0.65 -0.64 -0.65 -0.57 0.00 0.00 179.45 177.51 3i48 s GLN 259 N -5.62 0.29 0.14 3.15 -0.21 -1.26 -4.98 119.66 111.17 3i48 s GLN 259 Ca -0.17 -0.08 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 3i48 s GLN 259 Cb 0.03 -0.79 -0.07 0.00 1.00 0.00 0.00 33.01 33.18 3i48 s GLN 259 CO 0.55 -0.95 1.19 -1.17 -2.12 0.00 0.00 175.29 172.79 3i48 s LEU 260 N 2.34 4.43 -0.02 2.90 2.96 -1.26 -1.89 118.68 128.14 3i48 s LEU 260 Ca 0.09 2.14 0.06 0.00 -0.22 0.00 0.00 54.13 56.20 3i48 s LEU 260 Cb -0.14 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3i48 s LEU 260 CO -0.29 -0.38 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.48 3i48 s VAL 261 N 0.29 2.66 -0.21 1.68 1.01 -0.08 -2.15 120.40 123.59 3i48 s VAL 261 Ca 0.54 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 3i48 s VAL 261 Cb -0.31 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3i48 s VAL 261 CO 0.34 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 176.15 3i48 s ASN 262 N -0.82 4.43 -0.23 3.32 -0.87 0.61 -2.34 114.94 119.05 3i48 s ASN 262 Ca 0.11 -0.34 -0.05 0.00 -1.57 0.00 0.00 52.86 51.02 3i48 s ASN 262 Cb -0.10 -1.76 -0.02 0.00 -0.02 0.00 0.00 41.25 39.35 3i48 s ASN 262 CO 0.01 0.01 -0.00 -0.70 -2.57 0.00 0.00 177.10 173.84 3i48 s GLU 263 N 1.32 3.49 -0.14 -0.60 2.12 0.11 -0.83 118.70 124.18 3i48 s GLU 263 Ca 0.04 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.51 3i48 s GLU 263 Cb -0.14 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 3i48 s GLU 263 CO -0.01 -0.18 1.01 0.08 -0.54 0.00 0.00 175.26 175.62 3i48 s VAL 264 N 1.48 4.77 -0.19 3.70 1.01 -0.62 -0.70 120.40 129.83 3i48 s VAL 264 Ca 0.06 2.02 -0.09 0.00 0.00 0.00 0.00 61.98 63.97 3i48 s VAL 264 Cb -0.15 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 3i48 s VAL 264 CO -0.01 -0.04 0.09 -0.69 0.00 0.00 0.00 175.10 174.46 3i48 s VAL 265 N 2.28 5.04 -0.24 2.92 1.01 -0.16 -2.85 120.40 128.41 3i48 s VAL 265 Ca 0.47 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.61 3i48 s VAL 265 Cb -0.17 -3.29 0.45 0.00 0.00 0.00 0.00 36.38 33.36 3i48 s VAL 265 CO 0.15 0.44 1.32 0.35 0.00 0.00 0.00 175.10 177.36 3i48 n THR 266 N 3.63 2.33 -1.70 3.92 -2.24 -1.26 -3.72 114.28 115.24 3i48 n THR 266 Ca -0.16 -2.99 -0.42 0.00 -2.27 0.00 0.00 64.05 58.21 3i48 n THR 266 Cb 0.52 -0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3i48 n THR 266 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3i48 n GLU 267 N -1.13 2.12 -5.29 -0.78 2.13 -1.26 -5.02 120.64 111.40 3i48 n GLU 267 Ca 0.24 0.74 -0.31 0.00 0.66 0.00 0.00 57.16 58.50 3i48 n GLU 267 Cb 0.83 -2.36 -0.16 0.00 0.27 0.00 0.00 31.44 30.02 3i48 n GLU 267 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3i48 s LYS 268 N -1.97 2.12 0.85 5.31 1.02 -1.26 -4.78 119.74 121.03 3i48 s LYS 268 Ca 0.56 -0.92 -0.12 0.00 0.02 0.00 0.00 55.97 55.52 3i48 s LYS 268 Cb -0.55 -2.03 0.10 0.00 -0.52 0.00 0.00 37.83 34.83 3i48 s LYS 268 CO 0.61 0.54 1.10 -1.25 -0.92 0.00 0.00 175.35 175.44 3i48 s PRO 269 N -0.57 1.68 0.41 -1.68 0.04 -1.25 -5.00 135.00 128.62 3i48 s PRO 269 Ca 0.09 0.65 -0.25 0.00 0.04 0.00 0.00 61.00 61.53 3i48 s PRO 269 Cb -0.10 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 3i48 s PRO 269 CO -0.01 -1.91 1.06 1.63 0.04 0.00 0.00 177.00 177.82 3i48 n LYS 270 N -3.63 1.47 -1.58 4.56 5.02 -1.26 -4.76 118.16 117.98 3i48 n LYS 270 Ca 0.07 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.51 3i48 n LYS 270 Cb 0.56 -2.10 0.05 0.00 -0.02 0.00 0.00 35.03 33.52 3i48 n LYS 270 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i48 n PRO 271 N 0.17 0.84 -4.12 1.97 -0.02 -1.26 -4.86 135.00 127.72 3i48 n PRO 271 Ca 0.09 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.76 3i48 n PRO 271 Cb 0.39 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.69 3i48 n PRO 271 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i48 s TRP 272 N -1.54 0.84 0.36 6.00 1.48 -0.05 -4.98 118.94 121.05 3i48 s TRP 272 Ca 0.74 -0.63 0.07 0.00 -1.06 0.00 0.00 56.10 55.21 3i48 s TRP 272 Cb -0.43 -0.49 -0.07 0.00 -1.16 0.00 0.00 33.47 31.32 3i48 s TRP 272 CO 0.49 -0.07 -0.01 0.16 -4.06 0.00 0.00 176.95 173.45 3i48 s ASP 273 N -2.14 3.38 -0.06 -2.66 1.47 -1.26 -0.78 116.67 114.62 3i48 s ASP 273 Ca -0.01 -1.31 -0.04 0.00 1.18 0.00 0.00 52.55 52.37 3i48 s ASP 273 Cb -0.05 -0.29 0.02 0.00 -0.34 0.00 0.00 42.92 42.26 3i48 s ASP 273 CO -0.01 -0.41 0.14 0.54 0.68 0.00 0.00 175.17 176.12 3i48 s VAL 274 N -2.85 -0.01 -0.43 2.11 0.11 -0.54 -4.88 120.40 113.92 3i48 s VAL 274 Ca 0.34 0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 59.26 3i48 s VAL 274 Cb 0.07 -0.21 0.03 0.00 -1.53 0.00 0.00 36.38 34.74 3i48 s VAL 274 CO 0.16 0.02 0.40 -0.31 -3.33 0.00 0.00 175.10 172.04 3i48 s TYR 275 N 0.31 3.19 0.78 1.54 2.02 -1.26 -1.28 117.35 122.64 3i48 s TYR 275 Ca -0.02 -0.51 -0.07 0.00 -0.37 0.00 0.00 57.07 56.10 3i48 s TYR 275 Cb -0.03 -2.87 0.13 0.00 -0.40 0.00 0.00 41.96 38.78 3i48 s TYR 275 CO -0.01 -0.70 1.09 0.00 -1.57 0.00 0.00 175.55 174.36 3i48 s ALA 276 N 1.98 3.09 0.18 3.71 0.00 0.83 -4.99 121.76 126.56 3i48 s ALA 276 Ca 0.09 -1.30 -0.22 0.00 0.00 0.00 0.00 51.96 50.53 3i48 s ALA 276 Cb -0.19 -2.43 0.10 0.00 0.00 0.00 0.00 23.12 20.61 3i48 s ALA 276 CO 0.12 -1.69 1.58 0.00 0.00 0.00 0.00 175.76 175.77 3i48 h ALA 277 N -0.87 -0.12 -0.04 0.00 0.00 -2.01 -3.26 119.26 112.95 3i48 h ALA 277 Ca -0.41 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i48 h ALA 277 Cb 1.27 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3i48 h ALA 277 CO 0.46 -0.72 0.00 0.00 0.00 0.00 0.00 179.25 178.99 3i48 n ALA 278 N -3.16 2.46 -3.64 0.00 0.00 -1.26 -5.02 120.51 109.89 3i48 n ALA 278 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.75 3i48 n ALA 278 Cb 0.36 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 3i48 n ALA 278 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i48 s TYR 279 N -1.11 -0.35 -0.06 0.00 1.13 -1.23 -5.15 117.35 110.57 3i48 s TYR 279 Ca 0.16 0.03 0.05 0.00 -1.41 0.00 0.00 57.07 55.90 3i48 s TYR 279 Cb 0.11 0.63 -0.01 0.00 -1.10 0.00 0.00 41.96 41.60 3i48 s TYR 279 CO 0.17 -0.99 -0.22 -0.47 -2.51 0.00 0.00 175.55 171.53 3i48 s TYR 280 N -3.74 2.22 0.03 -3.49 5.04 -1.26 -0.12 117.35 116.03 3i48 s TYR 280 Ca 0.06 -0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 53.98 3i48 s TYR 280 Cb -0.03 -1.48 -0.03 0.00 0.35 0.00 0.00 41.96 40.78 3i48 s TYR 280 CO -0.03 -0.24 -0.03 -0.47 -1.34 0.00 0.00 175.55 173.43 3i48 s TYR 281 N 0.02 0.38 -0.08 4.97 6.14 -0.41 -4.99 117.35 123.39 3i48 s TYR 281 Ca -0.07 -0.70 0.04 0.00 0.64 0.00 0.00 57.07 56.98 3i48 s TYR 281 Cb -0.14 -0.27 -0.00 0.00 0.42 0.00 0.00 41.96 41.97 3i48 s TYR 281 CO 0.04 -0.24 -0.22 0.08 0.64 0.00 0.00 175.55 175.86 3i48 s VAL 282 N -2.25 1.86 0.36 3.14 1.01 -1.26 -1.46 120.40 121.80 3i48 s VAL 282 Ca -0.08 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.02 3i48 s VAL 282 Cb -0.04 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 3i48 s VAL 282 CO -0.04 0.52 0.07 -0.31 0.00 0.00 0.00 175.10 175.34 3i48 s TYR 283 N 0.25 1.96 -0.30 5.22 2.02 0.04 -4.96 117.35 121.57 3i48 s TYR 283 Ca -0.14 -1.01 0.18 0.00 -0.37 0.00 0.00 57.07 55.73 3i48 s TYR 283 Cb -0.16 -1.32 0.46 0.00 -0.40 0.00 0.00 41.96 40.54 3i48 s TYR 283 CO 0.06 -0.01 1.30 0.27 -1.57 0.00 0.00 175.55 175.60 3i48 n ASN 284 N -0.89 0.14 -4.26 2.29 6.94 -1.26 -0.87 115.26 117.34 3i48 n ASN 284 Ca -0.05 -2.15 -0.17 0.00 -0.02 0.00 0.00 54.58 52.19 3i48 n ASN 284 Cb 0.66 0.07 -0.11 0.00 -2.36 0.00 0.00 39.78 38.05 3i48 n ASN 284 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3i48 s ASP 285 N -2.54 2.07 0.33 0.53 1.11 -1.26 -3.88 116.67 113.04 3i48 s ASP 285 Ca 0.19 -0.88 0.17 0.00 0.18 0.00 0.00 52.55 52.21 3i48 s ASP 285 Cb 0.38 -0.07 0.45 0.00 1.07 0.00 0.00 42.92 44.75 3i48 s ASP 285 CO -0.08 -0.18 1.62 -0.26 1.18 0.00 0.00 175.17 177.45 3i48 h PHE 286 N 3.22 0.00 -2.33 4.23 0.04 -1.90 -3.47 116.94 116.74 3i48 h PHE 286 Ca -0.39 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.56 3i48 h PHE 286 Cb 1.20 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.27 3i48 h PHE 286 CO 0.66 0.44 0.49 0.45 -0.60 0.00 0.00 178.31 179.75 3i48 s SER 287 N -6.44 -0.18 0.17 2.17 0.15 -1.26 -4.87 113.70 103.44 3i48 s SER 287 Ca 0.01 -0.39 0.27 0.00 0.70 0.00 0.00 55.95 56.54 3i48 s SER 287 Cb 0.10 0.48 0.86 0.00 -1.71 0.00 0.00 66.02 65.75 3i48 s SER 287 CO 0.71 -0.89 1.78 -0.90 1.20 0.00 0.00 173.24 175.14 3i48 n ASP 288 N -0.46 0.68 -4.92 5.45 5.75 -1.26 -4.72 116.55 117.06 3i48 n ASP 288 Ca -0.06 0.54 -0.31 0.00 -0.01 0.00 0.00 54.79 54.95 3i48 n ASP 288 Cb 0.61 -0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 3i48 n ASP 288 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3i48 s HIS 289 N -3.09 3.52 0.27 2.11 3.76 -1.26 -4.28 115.29 116.32 3i48 s HIS 289 Ca 0.11 0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.14 3i48 s HIS 289 Cb 0.13 -1.78 -0.08 0.00 1.11 0.00 0.00 32.58 31.96 3i48 s HIS 289 CO 0.59 0.59 0.68 0.71 -0.85 0.00 0.00 174.74 176.46 3i48 s TYR 290 N -1.50 3.46 0.68 1.40 2.02 0.57 -4.87 117.35 119.11 3i48 s TYR 290 Ca 0.35 1.18 -0.11 0.00 -0.37 0.00 0.00 57.07 58.11 3i48 s TYR 290 Cb -0.13 -2.49 -0.00 0.00 -0.40 0.00 0.00 41.96 38.94 3i48 s TYR 290 CO 0.27 0.21 1.06 -1.25 -1.57 0.00 0.00 175.55 174.27 3i48 s PRO 291 N -2.64 3.09 -0.00 -1.71 0.04 -1.24 -4.78 135.00 127.76 3i48 s PRO 291 Ca 0.49 0.74 0.08 0.00 0.04 0.00 0.00 61.00 62.36 3i48 s PRO 291 Cb -0.12 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 3i48 s PRO 291 CO 0.19 -0.94 -0.26 0.96 0.04 0.00 0.00 177.00 176.99 3i48 s ILE 292 N -3.17 2.07 -0.10 0.56 -4.36 -0.37 -0.98 121.20 114.84 3i48 s ILE 292 Ca 0.57 -1.18 -0.04 0.00 -0.26 0.00 0.00 60.65 59.74 3i48 s ILE 292 Cb -0.12 -1.73 -0.04 0.00 1.25 0.00 0.00 42.46 41.82 3i48 s ILE 292 CO 0.54 0.52 0.05 -0.54 0.24 0.00 0.00 174.94 175.75 3i48 s LYS 293 N -0.78 3.19 0.02 0.37 1.02 0.12 -1.35 119.74 122.33 3i48 s LYS 293 Ca 0.10 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.86 3i48 s LYS 293 Cb -0.10 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3i48 s LYS 293 CO -0.00 0.71 -0.22 0.00 -0.92 0.00 0.00 175.35 174.92 3i48 s ALA 294 N -0.87 1.85 0.14 5.17 0.00 0.51 0.08 121.76 128.64 3i48 s ALA 294 Ca 0.13 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 3i48 s ALA 294 Cb -0.12 -0.41 0.07 0.00 0.00 0.00 0.00 23.12 22.66 3i48 s ALA 294 CO 0.03 0.44 0.81 1.52 0.00 0.00 0.00 175.76 178.55 3i48 s TYR 295 N -0.68 -0.30 -0.11 0.00 1.13 -0.99 -1.00 117.35 115.40 3i48 s TYR 295 Ca 0.08 0.02 -0.10 0.00 -1.41 0.00 0.00 57.07 55.67 3i48 s TYR 295 Cb -0.09 0.61 -0.05 0.00 -1.10 0.00 0.00 41.96 41.34 3i48 s TYR 295 CO 0.01 -0.85 0.21 -1.12 -2.51 0.00 0.00 175.55 171.29 3i48 s SER 296 N -2.77 6.45 0.00 -0.18 0.01 -1.26 -0.90 113.70 115.05 3i48 s SER 296 Ca 0.07 0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.88 3i48 s SER 296 Cb -0.02 -2.12 0.01 0.00 0.21 0.00 0.00 66.02 64.09 3i48 s SER 296 CO -0.03 0.32 0.53 0.29 0.41 0.00 0.00 173.24 174.76