#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i48 n THR 8 N 0.00 0.00 -2.18 2.12 5.66 -1.26 -4.75 114.28 113.88 3i48 n THR 8 Ca 0.00 -0.50 -0.37 0.00 -3.05 0.00 0.00 64.05 60.14 3i48 n THR 8 Cb 0.00 1.09 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 3i48 n THR 8 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3i48 s ASP 9 N -0.37 5.85 0.19 1.09 3.84 -1.26 -4.92 116.67 121.08 3i48 s ASP 9 Ca 0.05 2.34 0.11 0.00 -0.00 0.00 0.00 52.55 55.04 3i48 s ASP 9 Cb 0.03 -2.60 -0.04 0.00 -1.38 0.00 0.00 42.92 38.93 3i48 s ASP 9 CO 0.05 -1.14 -0.19 -0.76 -0.00 0.00 0.00 175.17 173.14 3i48 s LEU 10 N -3.38 2.63 -0.20 2.11 1.43 -1.26 -5.09 118.68 114.91 3i48 s LEU 10 Ca 0.68 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.93 3i48 s LEU 10 Cb -0.29 -1.34 -0.05 0.00 0.03 0.00 0.00 46.19 44.54 3i48 s LEU 10 CO 0.34 0.11 0.11 -0.54 0.23 0.00 0.00 176.35 176.60 3i48 s LYS 11 N -2.74 4.08 0.18 1.70 1.02 -1.26 -4.43 119.74 118.29 3i48 s LYS 11 Ca 0.22 -0.28 0.07 0.00 0.02 0.00 0.00 55.97 56.00 3i48 s LYS 11 Cb -0.08 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.82 3i48 s LYS 11 CO 0.12 0.24 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.14 3i48 s LEU 12 N 0.51 2.52 0.07 3.17 1.02 0.09 -0.65 118.68 125.41 3i48 s LEU 12 Ca 0.06 -0.98 0.08 0.00 0.02 0.00 0.00 54.13 53.31 3i48 s LEU 12 Cb -0.12 -0.60 -0.03 0.00 0.02 0.00 0.00 46.19 45.46 3i48 s LEU 12 CO 0.00 -0.19 -0.21 -0.69 0.02 0.00 0.00 176.35 175.28 3i48 s VAL 13 N -2.88 1.67 -0.04 -1.59 1.01 -0.64 -0.07 120.40 117.87 3i48 s VAL 13 Ca 0.19 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.89 3i48 s VAL 13 Cb -0.01 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 3i48 s VAL 13 CO 0.05 0.10 -0.17 -0.55 0.00 0.00 0.00 175.10 174.53 3i48 s SER 14 N -1.45 2.14 -0.12 3.32 0.15 -0.52 -0.59 113.70 116.63 3i48 s SER 14 Ca 0.07 -0.35 -0.05 0.00 0.70 0.00 0.00 55.95 56.32 3i48 s SER 14 Cb -0.09 -0.51 0.06 0.00 -1.71 0.00 0.00 66.02 63.76 3i48 s SER 14 CO 0.03 0.17 0.26 -2.28 1.20 0.00 0.00 173.24 172.62 3i48 s HIS 15 N -0.07 -0.39 -0.42 3.44 2.46 -0.06 -1.14 115.29 119.12 3i48 s HIS 15 Ca -0.01 0.90 -0.29 0.00 0.47 0.00 0.00 55.06 56.13 3i48 s HIS 15 Cb -0.10 0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.38 3i48 s HIS 15 CO 0.01 -0.30 1.27 1.21 -2.47 0.00 0.00 174.74 174.46 3i48 s ASN 16 N 1.84 6.53 0.00 9.88 3.84 -1.26 -1.46 114.94 134.30 3i48 s ASN 16 Ca -0.04 0.73 0.26 0.00 0.21 0.00 0.00 52.86 54.02 3i48 s ASN 16 Cb -0.11 -2.54 0.62 0.00 -0.55 0.00 0.00 41.25 38.67 3i48 s ASN 16 CO -0.09 -1.29 1.50 1.33 -2.79 0.00 0.00 177.10 175.77 3i48 n VAL 17 N 6.82 0.00 -3.67 -5.21 0.24 -0.10 -4.30 118.33 112.11 3i48 n VAL 17 Ca 0.14 -0.37 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 3i48 n VAL 17 Cb 0.48 0.99 0.04 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.76 -1.99 -2.61 6.34 9.36 -1.25 -4.68 117.16 123.08 3i48 n TYR 18 Ca 0.17 0.86 -0.42 0.00 3.32 0.00 0.00 57.90 61.83 3i48 n TYR 18 Cb 0.48 -4.49 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 -4.28 4.47 -1.21 2.98 2.81 0.55 -4.93 117.12 117.51 3i48 n MET 19 Ca -0.28 -4.16 -0.33 0.00 -1.81 0.00 0.00 57.70 51.12 3i48 n MET 19 Cb 0.67 -2.63 0.12 0.00 -0.71 0.00 0.00 33.22 30.67 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 -2.32 3.18 -0.10 4.03 1.43 -1.26 -0.98 118.68 122.66 3i48 s LEU 20 Ca 0.38 2.33 -0.39 0.00 -1.03 0.00 0.00 54.13 55.42 3i48 s LEU 20 Cb 0.11 -4.58 -0.17 0.00 0.03 0.00 0.00 46.19 41.57 3i48 s LEU 20 CO 0.01 -2.52 1.47 -0.24 0.23 0.00 0.00 176.35 175.29 3i48 n SER 21 N -3.15 1.66 0.00 2.29 2.88 -1.26 -4.24 113.62 111.80 3i48 n SER 21 Ca 0.13 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.91 3i48 n SER 21 Cb 0.51 -1.11 0.61 0.00 -0.75 0.00 0.00 64.21 63.46 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 3.24 0.19 -0.07 2.46 -2.24 -1.26 0.10 114.28 116.69 3i48 n THR 22 Ca 0.23 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3i48 n THR 22 Cb 0.13 -0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 67.67 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 1.12 -0.21 2.28 2.07 -1.94 -3.18 116.25 116.39 3i48 h VAL 23 Ca 0.00 -1.92 -0.16 0.00 0.82 0.00 0.00 66.70 65.44 3i48 h VAL 23 Cb 0.35 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3i48 h VAL 23 CO 0.00 0.38 -0.53 -0.07 0.02 0.00 0.00 177.57 177.37 3i48 h LEU 24 N -1.00 0.65 -6.23 2.57 4.07 -1.94 -3.38 115.31 110.05 3i48 h LEU 24 Ca -0.05 -0.34 -0.59 0.00 0.08 0.00 0.00 57.88 56.98 3i48 h LEU 24 Cb 0.78 -0.19 -0.41 0.00 1.08 0.00 0.00 40.66 41.92 3i48 h LEU 24 CO -0.03 1.06 -0.81 -1.22 -1.08 0.00 0.00 178.44 176.36 3i48 n TYR 25 N -3.97 1.78 0.32 1.13 4.01 0.11 -4.97 117.16 115.56 3i48 n TYR 25 Ca -0.03 -3.89 0.21 0.00 -0.16 0.00 0.00 57.90 54.03 3i48 n TYR 25 Cb 0.59 -0.42 1.04 0.00 -0.31 0.00 0.00 39.34 40.24 3i48 n TYR 25 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i48 h PRO 26 N 4.37 0.00 -1.21 -0.72 0.11 -1.73 -3.27 132.00 129.53 3i48 h PRO 26 Ca 0.15 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.72 3i48 h PRO 26 Cb 0.77 0.00 -0.42 0.00 0.11 0.00 0.00 31.00 31.46 3i48 h PRO 26 CO 0.65 0.00 -0.82 0.09 -0.21 0.00 0.00 178.00 177.71 3i48 n ASN 27 N -3.04 4.29 -0.94 -2.05 3.02 -1.26 -4.69 115.26 110.58 3i48 n ASN 27 Ca -0.02 -3.55 0.08 0.00 -0.03 0.00 0.00 54.58 51.07 3i48 n ASN 27 Cb 0.14 -0.44 0.26 0.00 -0.61 0.00 0.00 39.78 39.14 3i48 n ASN 27 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3i48 n TRP 28 N -0.50 0.98 -2.26 3.10 5.03 -1.23 -4.94 117.44 117.62 3i48 n TRP 28 Ca 0.36 -0.83 -0.20 0.00 3.03 0.00 0.00 57.50 59.86 3i48 n TRP 28 Cb 0.76 -0.30 -0.02 0.00 -1.03 0.00 0.00 31.31 30.72 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 -0.33 -0.10 0.26 6.99 0.00 -1.26 -4.91 105.19 105.83 3i48 n GLY 29 Ca 0.21 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.28 -0.63 1.61 7.50 -1.91 0.38 115.11 121.78 3i48 h GLN 30 Ca -0.46 0.02 -0.05 0.00 0.50 0.00 0.00 58.65 58.65 3i48 h GLN 30 Cb 1.34 0.06 -0.03 0.00 0.05 0.00 0.00 27.48 28.91 3i48 h GLN 30 CO 0.57 -0.18 0.19 1.88 -1.50 0.00 0.00 178.83 179.78 3i48 h TYR 31 N -0.29 1.02 -0.69 2.96 0.05 -1.91 -0.11 116.97 118.00 3i48 h TYR 31 Ca 0.10 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3i48 h TYR 31 Cb 0.44 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 3i48 h TYR 31 CO -0.33 0.84 0.44 0.87 -1.05 0.00 0.00 178.16 178.93 3i48 h LYS 32 N 0.91 0.86 -0.05 4.88 1.57 -1.72 -2.71 116.57 120.31 3i48 h LYS 32 Ca 0.20 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 3i48 h LYS 32 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3i48 h LYS 32 CO -0.01 0.57 -0.60 0.00 -0.57 0.00 0.00 179.45 178.85 3i48 h ARG 33 N 0.88 0.17 -0.63 3.15 3.08 0.02 -0.85 114.38 120.20 3i48 h ARG 33 Ca 0.27 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 60.24 3i48 h ARG 33 Cb -0.03 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.99 3i48 h ARG 33 CO -0.09 0.72 0.37 0.00 -1.07 0.00 0.00 179.97 179.90 3i48 h ALA 34 N 1.26 0.83 -0.33 0.04 0.00 -0.77 0.32 119.26 120.61 3i48 h ALA 34 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3i48 h ALA 34 Cb 1.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3i48 h ALA 34 CO 0.09 0.09 0.01 -0.44 0.00 0.00 0.00 179.25 178.99 3i48 h ASP 35 N 0.71 0.56 -0.65 0.00 3.32 -1.16 -2.31 116.42 116.90 3i48 h ASP 35 Ca 0.27 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3i48 h ASP 35 Cb 0.09 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3i48 h ASP 35 CO -0.13 0.73 0.09 -0.07 -1.72 0.00 0.00 179.24 178.13 3i48 h LEU 36 N 0.38 1.04 -0.56 1.55 3.38 -0.65 -1.80 115.31 118.65 3i48 h LEU 36 Ca 0.09 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3i48 h LEU 36 Cb 0.43 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3i48 h LEU 36 CO 0.02 1.05 0.34 0.40 0.09 0.00 0.00 178.44 180.33 3i48 h ILE 37 N 1.00 1.05 0.00 1.22 2.04 -0.41 -1.85 117.51 120.56 3i48 h ILE 37 Ca 0.19 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3i48 h ILE 37 Cb 0.46 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3i48 h ILE 37 CO 0.02 0.12 -0.03 1.23 0.00 0.00 0.00 178.15 179.48 3i48 h GLY 38 N 0.66 0.00 -1.10 5.37 0.00 -0.90 -2.19 103.07 104.92 3i48 h GLY 38 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3i48 h GLY 38 CO -0.10 0.00 -0.06 -1.06 0.00 0.00 0.00 176.54 175.32 3i48 n GLN 39 N -3.96 1.86 -1.52 4.80 6.02 -0.72 -4.92 117.38 118.93 3i48 n GLN 39 Ca -0.03 -1.36 -0.30 0.00 -0.01 0.00 0.00 57.00 55.31 3i48 n GLN 39 Cb 0.12 -1.47 0.10 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.08 4.35 0.01 1.08 1.04 -0.79 -5.00 113.70 112.32 3i48 s SER 40 Ca 0.31 1.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.96 3i48 s SER 40 Cb 0.20 -2.02 -0.31 0.00 0.10 0.00 0.00 66.02 63.99 3i48 s SER 40 CO 0.35 -2.06 0.90 0.28 0.98 0.00 0.00 173.24 173.69 3i48 h SER 41 N -1.15 0.58 0.25 7.02 0.02 -1.91 -3.38 113.55 114.97 3i48 h SER 41 Ca -0.47 -0.73 -0.04 0.00 -0.84 0.00 0.00 61.79 59.71 3i48 h SER 41 Cb 1.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3i48 h SER 41 CO 0.59 1.59 -0.17 0.10 -1.14 0.00 0.00 176.83 177.81 3i48 h TYR 42 N 0.10 0.00 0.00 3.45 -0.00 -1.94 -0.95 116.97 117.63 3i48 h TYR 42 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 3i48 h TYR 42 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.81 3i48 h TYR 42 CO 0.09 0.17 0.00 0.97 -0.00 0.00 0.00 178.16 179.39 3i48 h ILE 43 N 0.00 0.00 -2.95 -0.90 6.09 -1.85 -3.46 117.51 114.45 3i48 h ILE 43 Ca -0.00 -0.60 -0.49 0.00 -1.37 0.00 0.00 64.86 62.40 3i48 h ILE 43 Cb 0.34 1.56 0.01 0.00 0.47 0.00 0.00 36.82 39.19 3i48 h ILE 43 CO 0.02 0.00 -0.17 -0.54 -3.07 0.00 0.00 178.15 174.40 3i48 s LYS 44 N -3.23 3.52 -0.90 2.19 1.02 -0.36 -4.48 119.74 117.49 3i48 s LYS 44 Ca 0.07 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.84 3i48 s LYS 44 Cb 0.09 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 3i48 s LYS 44 CO 0.58 0.15 0.00 0.09 -0.92 0.00 0.00 175.35 175.25 3i48 n ASN 45 N -1.59 -3.80 -4.93 2.83 3.02 -1.26 -5.01 115.26 104.52 3i48 n ASN 45 Ca -0.04 0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.45 3i48 n ASN 45 Cb 0.55 -2.39 -0.00 0.00 -0.61 0.00 0.00 39.78 37.33 3i48 n ASN 45 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3i48 s ASN 46 N -2.81 5.04 -0.07 6.41 0.01 -1.26 -5.00 114.94 117.26 3i48 s ASN 46 Ca 0.00 -0.84 -0.06 0.00 -0.71 0.00 0.00 52.86 51.26 3i48 s ASN 46 Cb 0.00 -0.19 -0.28 0.00 0.41 0.00 0.00 41.25 41.19 3i48 s ASN 46 CO 0.00 -0.90 0.55 0.44 -1.51 0.00 0.00 177.10 175.68 3i48 h ASP 47 N 0.75 0.44 -3.79 -1.22 3.32 -1.27 -3.44 116.42 111.21 3i48 h ASP 47 Ca -0.38 -0.81 -0.18 0.00 0.02 0.00 0.00 57.03 55.68 3i48 h ASP 47 Cb 1.28 -0.14 -0.26 0.00 0.22 0.00 0.00 39.33 40.43 3i48 h ASP 47 CO 0.53 1.71 -0.48 -0.69 -1.72 0.00 0.00 179.24 178.59 3i48 s VAL 48 N -2.58 -0.00 -0.06 -1.35 1.01 -1.12 -0.69 120.40 115.61 3i48 s VAL 48 Ca -0.17 0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3i48 s VAL 48 Cb 0.06 -0.30 0.01 0.00 0.00 0.00 0.00 36.38 36.15 3i48 s VAL 48 CO 0.81 0.00 -0.15 -0.69 0.00 0.00 0.00 175.10 175.08 3i48 s VAL 49 N 0.16 1.31 -0.19 2.92 1.01 -0.13 -1.61 120.40 123.86 3i48 s VAL 49 Ca -0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3i48 s VAL 49 Cb -0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3i48 s VAL 49 CO -0.00 0.39 0.08 -0.63 0.00 0.00 0.00 175.10 174.94 3i48 s ILE 50 N 0.49 4.90 0.05 2.22 1.01 0.24 -1.13 121.20 128.98 3i48 s ILE 50 Ca -0.13 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.57 3i48 s ILE 50 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3i48 s ILE 50 CO 0.04 0.45 -0.05 -0.36 0.00 0.00 0.00 174.94 175.02 3i48 s PHE 51 N 0.45 2.90 0.15 3.97 0.08 0.01 -0.88 117.98 124.66 3i48 s PHE 51 Ca 0.04 -0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.09 3i48 s PHE 51 Cb -0.12 -1.55 -0.04 0.00 -0.57 0.00 0.00 43.02 40.73 3i48 s PHE 51 CO 0.00 0.42 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.63 3i48 s ASN 52 N -1.88 1.94 -1.44 1.36 0.01 -0.54 -2.21 114.94 112.18 3i48 s ASN 52 Ca 0.21 -0.98 -0.06 0.00 -0.71 0.00 0.00 52.86 51.32 3i48 s ASN 52 Cb -0.11 -0.04 0.03 0.00 0.41 0.00 0.00 41.25 41.54 3i48 s ASN 52 CO 0.12 -0.27 0.51 -0.62 -1.51 0.00 0.00 177.10 175.33 3i48 n GLU 53 N -0.09 -4.12 -2.07 -0.60 1.02 -0.81 -0.93 120.64 113.04 3i48 n GLU 53 Ca -0.11 0.74 -0.42 0.00 -0.02 0.00 0.00 57.16 57.36 3i48 n GLU 53 Cb 0.60 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.49 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 -3.42 5.65 -0.09 0.62 0.00 -0.33 -0.33 120.51 122.61 3i48 n ALA 54 Ca -0.09 -4.13 -0.16 0.00 0.00 0.00 0.00 53.44 49.07 3i48 n ALA 54 Cb 0.59 -3.16 -0.09 0.00 0.00 0.00 0.00 19.45 16.80 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 5.69 0.00 -2.51 0.00 0.04 -1.70 -3.38 116.94 115.08 3i48 h PHE 55 Ca 0.50 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.73 3i48 h PHE 55 Cb 0.59 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.75 3i48 h PHE 55 CO 1.37 1.01 1.14 0.34 -0.60 0.00 0.00 178.31 181.58 3i48 s ASP 56 N -6.43 6.54 0.13 2.17 2.15 -0.15 -4.66 116.67 116.42 3i48 s ASP 56 Ca -0.22 2.51 -0.17 0.00 0.43 0.00 0.00 52.55 55.09 3i48 s ASP 56 Cb 0.03 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 3i48 s ASP 56 CO 0.50 -0.98 1.71 0.78 -0.17 0.00 0.00 175.17 177.00 3i48 h ASN 57 N 9.77 0.43 -0.23 -0.34 2.35 -1.91 0.32 115.58 125.96 3i48 h ASN 57 Ca -0.45 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.13 3i48 h ASN 57 Cb 1.21 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3i48 h ASN 57 CO 0.94 0.42 -0.06 1.23 -1.65 0.00 0.00 177.43 178.32 3i48 h GLY 58 N 0.40 0.49 1.22 2.83 0.00 -1.99 -0.61 103.07 105.41 3i48 h GLY 58 Ca 0.11 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 3i48 h GLY 58 CO -0.02 0.37 -0.27 0.00 0.00 0.00 0.00 176.54 176.62 3i48 h ALA 59 N 0.75 0.73 -0.37 3.60 0.00 -1.92 -1.30 119.26 120.76 3i48 h ALA 59 Ca 0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3i48 h ALA 59 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i48 h ALA 59 CO 0.02 0.66 -0.20 0.77 0.00 0.00 0.00 179.25 180.50 3i48 h SER 60 N 0.75 0.81 0.08 0.00 0.02 -0.86 -0.81 113.55 113.55 3i48 h SER 60 Ca 0.09 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.55 3i48 h SER 60 Cb 0.83 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3i48 h SER 60 CO 0.07 1.05 -0.24 0.44 -1.14 0.00 0.00 176.83 177.01 3i48 h ASP 61 N 0.58 0.27 -0.20 3.07 3.32 -1.01 0.78 116.42 123.23 3i48 h ASP 61 Ca 0.08 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3i48 h ASP 61 Cb 0.75 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3i48 h ASP 61 CO 0.06 0.52 0.01 0.50 -1.72 0.00 0.00 179.24 178.61 3i48 h LYS 62 N 0.25 0.34 -0.25 3.56 1.63 -0.84 0.18 116.57 121.44 3i48 h LYS 62 Ca 0.04 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 3i48 h LYS 62 Cb 0.57 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.11 3i48 h LYS 62 CO 0.04 0.53 -0.09 1.25 -3.45 0.00 0.00 179.45 177.74 3i48 h LEU 63 N 0.11 -0.30 -0.98 5.20 5.85 -0.78 0.28 115.31 124.68 3i48 h LEU 63 Ca 0.06 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3i48 h LEU 63 Cb 0.37 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3i48 h LEU 63 CO 0.01 -0.11 0.33 -0.07 -0.34 0.00 0.00 178.44 178.25 3i48 h LEU 64 N -0.04 0.96 -0.76 2.25 3.38 -0.69 -1.62 115.31 118.80 3i48 h LEU 64 Ca 0.13 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3i48 h LEU 64 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3i48 h LEU 64 CO -0.28 0.83 -0.05 -1.28 0.09 0.00 0.00 178.44 177.76 3i48 h SER 65 N 1.05 0.87 0.27 -0.43 0.87 -0.43 -2.30 113.55 113.44 3i48 h SER 65 Ca 0.25 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3i48 h SER 65 Cb 0.15 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 3i48 h SER 65 CO -0.03 0.96 -0.03 0.78 -0.53 0.00 0.00 176.83 177.98 3i48 h ASN 66 N 0.81 0.00 -0.19 6.23 2.35 0.52 -2.78 115.58 122.53 3i48 h ASN 66 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3i48 h ASN 66 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3i48 h ASN 66 CO 0.03 0.03 0.00 1.33 -1.65 0.00 0.00 177.43 177.17 3i48 n VAL 67 N -3.34 0.81 0.10 2.81 0.24 -1.04 -4.73 118.33 113.19 3i48 n VAL 67 Ca -0.02 -0.91 -0.02 0.00 -2.04 0.00 0.00 64.34 61.35 3i48 n VAL 67 Cb 0.15 0.62 0.21 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.37 0.22 -0.45 7.34 3.64 -1.12 0.16 116.57 127.72 3i48 h LYS 68 Ca 0.00 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 3i48 h LYS 68 Cb 0.59 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3i48 h LYS 68 CO 0.00 0.63 0.18 -0.22 -2.27 0.00 0.00 179.45 177.77 3i48 h LYS 69 N 0.18 0.68 0.16 1.90 3.64 -1.85 -1.98 116.57 119.30 3i48 h LYS 69 Ca 0.01 -0.13 -0.29 0.00 -1.27 0.00 0.00 60.65 58.97 3i48 h LYS 69 Cb 0.87 -0.11 0.02 0.00 -0.41 0.00 0.00 32.23 32.60 3i48 h LYS 69 CO 0.07 0.62 -1.30 1.49 -2.27 0.00 0.00 179.45 178.06 3i48 h GLU 70 N 0.59 0.38 -3.01 1.90 4.81 -1.88 -3.38 114.58 113.99 3i48 h GLU 70 Ca 0.15 -0.62 -0.62 0.00 -0.13 0.00 0.00 59.36 58.14 3i48 h GLU 70 Cb 0.20 0.23 -0.42 0.00 0.63 0.00 0.00 28.75 29.39 3i48 h GLU 70 CO -0.01 1.29 -0.58 0.66 -0.73 0.00 0.00 179.01 179.64 3i48 n TYR 71 N -3.62 3.19 0.43 0.92 4.01 0.56 -4.40 117.16 118.25 3i48 n TYR 71 Ca -0.11 -4.28 0.13 0.00 -0.16 0.00 0.00 57.90 53.47 3i48 n TYR 71 Cb 1.04 -0.60 0.49 0.00 -0.31 0.00 0.00 39.34 39.95 3i48 n TYR 71 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3i48 h PRO 72 N 5.30 0.00 -4.72 -0.72 0.11 -1.25 -3.39 132.00 127.34 3i48 h PRO 72 Ca 0.16 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.58 3i48 h PRO 72 Cb 0.75 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.63 3i48 h PRO 72 CO 0.72 0.00 -0.53 0.71 -0.21 0.00 0.00 178.00 178.68 3i48 s TYR 73 N -3.30 3.20 0.03 0.65 2.02 -0.94 -4.99 117.35 114.01 3i48 s TYR 73 Ca 0.05 -0.63 0.03 0.00 -0.37 0.00 0.00 57.07 56.15 3i48 s TYR 73 Cb 0.10 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.25 3i48 s TYR 73 CO 0.45 -0.50 -0.10 -0.65 -1.57 0.00 0.00 175.55 173.18 3i48 s GLN 74 N 1.61 0.67 0.54 -0.62 -0.21 -1.26 -0.39 119.66 120.00 3i48 s GLN 74 Ca 0.04 -0.60 -0.08 0.00 0.02 0.00 0.00 55.36 54.74 3i48 s GLN 74 Cb -0.18 -0.59 -0.04 0.00 1.00 0.00 0.00 33.01 33.20 3i48 s GLN 74 CO 0.07 0.14 0.90 0.95 -2.12 0.00 0.00 175.29 175.23 3i48 s THR 75 N -0.82 4.81 1.20 -0.19 -4.23 -0.13 -5.01 115.64 111.27 3i48 s THR 75 Ca -0.02 0.54 -0.15 0.00 -1.18 0.00 0.00 61.69 60.88 3i48 s THR 75 Cb -0.07 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 70.20 3i48 s THR 75 CO 0.01 -0.96 1.02 -2.84 -0.54 0.00 0.00 174.62 171.31 3i48 s PRO 76 N -4.87 -1.17 -0.05 3.99 0.02 -1.26 -4.66 135.00 127.00 3i48 s PRO 76 Ca 0.51 0.59 -0.28 0.00 0.02 0.00 0.00 61.00 61.84 3i48 s PRO 76 Cb -0.11 -1.54 -0.03 0.00 0.02 0.00 0.00 34.50 32.84 3i48 s PRO 76 CO 0.48 -3.82 0.91 0.08 -0.33 0.00 0.00 177.00 174.31 3i48 s VAL 77 N -2.54 4.89 -0.38 3.83 1.01 -1.26 -4.64 120.40 121.31 3i48 s VAL 77 Ca 0.68 1.88 -0.36 0.00 0.00 0.00 0.00 61.98 64.18 3i48 s VAL 77 Cb -0.21 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.77 3i48 s VAL 77 CO 0.62 0.14 1.24 -0.11 0.00 0.00 0.00 175.10 176.99 3i48 n LEU 78 N 4.21 0.93 0.00 3.92 7.94 0.67 -2.05 117.00 132.62 3i48 n LEU 78 Ca 0.05 0.92 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3i48 n LEU 78 Cb 0.50 -0.68 0.00 0.00 0.53 0.00 0.00 43.42 43.77 3i48 n LEU 78 CO 0.51 -0.66 0.00 0.61 -1.11 0.00 0.00 177.39 176.74 3i48 n GLY 79 N 3.08 0.78 0.14 -3.96 0.00 -1.26 0.40 105.19 104.37 3i48 n GLY 79 Ca 0.24 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 3.75 0.40 -2.68 1.61 2.43 -1.79 -3.44 114.38 114.67 3i48 h ARG 80 Ca 0.00 -0.26 0.10 0.00 -0.81 0.00 0.00 59.98 59.01 3i48 h ARG 80 Cb 0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3i48 h ARG 80 CO 0.00 0.86 0.44 -1.54 -1.51 0.00 0.00 179.97 178.23 3i48 s SER 81 N -6.32 -0.05 0.00 -3.80 1.04 -1.26 -5.02 113.70 98.28 3i48 s SER 81 Ca -0.14 -0.77 0.26 0.00 0.48 0.00 0.00 55.95 55.78 3i48 s SER 81 Cb 0.05 0.62 0.66 0.00 0.10 0.00 0.00 66.02 67.45 3i48 s SER 81 CO 0.78 -1.22 1.51 0.00 0.98 0.00 0.00 173.24 175.29 3i48 n GLN 82 N -0.59 0.36 -2.37 4.02 6.02 -1.26 -4.90 117.38 118.65 3i48 n GLN 82 Ca -0.05 -0.20 -0.39 0.00 -0.01 0.00 0.00 57.00 56.35 3i48 n GLN 82 Cb 0.60 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.78 6.75 0.00 1.08 0.01 -1.26 -3.60 113.70 113.90 3i48 s SER 83 Ca 0.17 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.72 3i48 s SER 83 Cb 0.18 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.80 3i48 s SER 83 CO 0.61 -0.51 0.00 0.61 0.41 0.00 0.00 173.24 174.36 3i48 n GLY 84 N 0.71 0.80 3.63 3.44 0.00 -1.26 -4.89 105.19 107.62 3i48 n GLY 84 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.04 2.93 0.25 1.61 0.52 -1.24 -4.71 118.94 115.26 3i48 s TRP 85 Ca 0.00 -0.03 0.13 0.00 0.02 0.00 0.00 56.10 56.22 3i48 s TRP 85 Cb 0.00 -1.58 0.50 0.00 -1.15 0.00 0.00 33.47 31.24 3i48 s TRP 85 CO 0.00 0.42 1.67 -0.44 0.02 0.00 0.00 176.95 178.63 3i48 h ASP 86 N 4.11 0.00 -4.39 2.95 3.32 -1.22 -3.46 116.42 117.74 3i48 h ASP 86 Ca -0.48 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 3i48 h ASP 86 Cb 1.17 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.51 3i48 h ASP 86 CO 0.56 0.52 0.12 -0.75 -1.72 0.00 0.00 179.24 177.96 3i48 s LYS 87 N -3.68 0.90 -0.13 3.56 2.20 -1.22 -5.03 119.74 116.33 3i48 s LYS 87 Ca -0.01 0.67 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 3i48 s LYS 87 Cb 0.12 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.87 3i48 s LYS 87 CO 0.73 -0.18 -0.16 0.99 -0.36 0.00 0.00 175.35 176.37 3i48 s THR 88 N -0.25 2.72 0.24 3.43 2.01 -1.26 -1.72 115.64 120.81 3i48 s THR 88 Ca -0.04 -0.77 0.04 0.00 0.31 0.00 0.00 61.69 61.23 3i48 s THR 88 Cb -0.03 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 3i48 s THR 88 CO 0.04 0.53 0.16 -1.84 -0.69 0.00 0.00 174.62 172.82 3i48 n GLU 89 N 3.72 0.40 0.00 4.92 0.28 0.28 -4.99 120.64 125.26 3i48 n GLU 89 Ca -0.19 -2.25 0.00 0.00 -0.16 0.00 0.00 57.16 54.57 3i48 n GLU 89 Cb 0.52 1.64 0.00 0.00 1.43 0.00 0.00 31.44 35.04 3i48 n GLU 89 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i48 n GLY 90 N -0.22 -1.48 2.38 -1.84 0.00 -1.26 -1.79 105.19 100.97 3i48 n GLY 90 Ca 0.02 -1.31 -0.26 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.02 6.58 -4.73 1.61 7.64 0.36 -4.78 113.62 120.29 3i48 n SER 91 Ca 0.00 -3.01 -0.42 0.00 1.01 0.00 0.00 58.87 56.45 3i48 n SER 91 Cb 0.00 -1.31 -0.03 0.00 -1.01 0.00 0.00 64.21 61.86 3i48 n SER 91 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3i48 s TYR 92 N -0.85 2.87 -0.07 1.43 5.04 -1.26 -4.92 117.35 119.60 3i48 s TYR 92 Ca 0.60 0.47 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 3i48 s TYR 92 Cb 0.33 -4.11 0.00 0.00 0.35 0.00 0.00 41.96 38.53 3i48 s TYR 92 CO -0.15 -4.09 -0.19 0.45 -1.34 0.00 0.00 175.55 170.24 3i48 s SER 93 N 1.00 2.44 0.27 4.32 0.15 -1.26 -4.99 113.70 115.63 3i48 s SER 93 Ca 0.72 -0.42 0.12 0.00 0.70 0.00 0.00 55.95 57.06 3i48 s SER 93 Cb -0.49 -0.91 0.33 0.00 -1.71 0.00 0.00 66.02 63.24 3i48 s SER 93 CO 0.36 0.14 1.59 0.28 1.20 0.00 0.00 173.24 176.80 3i48 h SER 94 N 6.53 0.00 -0.20 5.45 0.02 -1.94 -3.36 113.55 120.05 3i48 h SER 94 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3i48 h SER 94 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3i48 h SER 94 CO 0.47 0.62 0.00 0.35 -1.14 0.00 0.00 176.83 177.13 3i48 n THR 95 N -3.68 0.25 -3.23 -2.27 -2.24 -1.26 -4.85 114.28 96.99 3i48 n THR 95 Ca -0.01 -0.43 -0.39 0.00 -2.27 0.00 0.00 64.05 60.95 3i48 n THR 95 Cb 0.64 0.56 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.75 4.88 -1.40 2.28 -7.23 -1.26 -4.97 120.40 110.95 3i48 s VAL 96 Ca 0.34 1.22 0.27 0.00 -1.81 0.00 0.00 61.98 62.00 3i48 s VAL 96 Cb 0.19 -3.91 0.46 0.00 0.56 0.00 0.00 36.38 33.68 3i48 s VAL 96 CO 0.28 0.45 1.94 0.00 -0.31 0.00 0.00 175.10 177.46 3i48 n ALA 97 N 2.50 2.36 -3.62 1.32 0.00 -1.25 -4.75 120.51 117.06 3i48 n ALA 97 Ca -0.08 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3i48 n ALA 97 Cb 0.51 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 3i48 n ALA 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i48 s GLU 98 N -2.60 0.95 0.69 0.00 2.56 -1.21 -5.12 118.70 113.96 3i48 s GLU 98 Ca 0.25 -0.14 -0.12 0.00 0.00 0.00 0.00 54.97 54.97 3i48 s GLU 98 Cb 0.18 -0.94 0.16 0.00 2.00 0.00 0.00 34.13 35.53 3i48 s GLU 98 CO 0.42 -0.09 0.89 -0.40 -0.56 0.00 0.00 175.26 175.53 3i48 n ASP 99 N 4.11 -0.11 0.03 -1.70 5.68 -1.26 -3.05 116.55 120.25 3i48 n ASP 99 Ca -0.23 -1.29 0.12 0.00 -0.50 0.00 0.00 54.79 52.89 3i48 n ASP 99 Cb 0.51 -0.69 0.24 0.00 -1.14 0.00 0.00 41.12 40.04 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 -1.09 -1.36 2.16 6.12 0.00 0.16 -4.03 105.19 107.14 3i48 n GLY 100 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 1.41 0.43 3.63 -0.02 0.00 -1.23 -4.54 105.19 104.87 3i48 n GLY 101 Ca 0.04 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.85 4.52 0.03 1.61 1.01 -1.26 -1.19 120.40 123.27 3i48 s VAL 102 Ca 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3i48 s VAL 102 Cb 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3i48 s VAL 102 CO 0.00 0.51 0.12 0.00 0.00 0.00 0.00 175.10 175.73 3i48 s ALA 103 N 0.01 -0.20 -0.05 5.51 0.00 -0.94 -0.24 121.76 125.85 3i48 s ALA 103 Ca 0.04 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.68 3i48 s ALA 103 Cb -0.13 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.20 3i48 s ALA 103 CO 0.01 -0.28 -0.19 0.42 0.00 0.00 0.00 175.76 175.72 3i48 s ILE 104 N -2.16 1.58 0.15 0.00 1.01 -1.26 -0.81 121.20 119.71 3i48 s ILE 104 Ca -0.09 -0.79 0.10 0.00 0.00 0.00 0.00 60.65 59.87 3i48 s ILE 104 Cb -0.04 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 3i48 s ILE 104 CO -0.02 0.45 -0.23 0.68 0.00 0.00 0.00 174.94 175.82 3i48 s VAL 105 N 0.07 2.07 -0.05 2.92 -7.23 -0.28 -0.95 120.40 116.95 3i48 s VAL 105 Ca -0.06 -1.81 -0.08 0.00 -1.81 0.00 0.00 61.98 58.22 3i48 s VAL 105 Cb -0.13 -1.90 0.02 0.00 0.56 0.00 0.00 36.38 34.93 3i48 s VAL 105 CO 0.03 -0.08 0.20 -0.55 -0.31 0.00 0.00 175.10 174.39 3i48 s SER 106 N -2.31 -0.15 0.44 4.85 0.15 0.48 -0.96 113.70 116.21 3i48 s SER 106 Ca 0.14 0.21 0.24 0.00 0.70 0.00 0.00 55.95 57.24 3i48 s SER 106 Cb -0.09 0.36 0.52 0.00 -1.71 0.00 0.00 66.02 65.10 3i48 s SER 106 CO 0.07 -0.20 1.67 0.50 1.20 0.00 0.00 173.24 176.47 3i48 h LYS 107 N 5.14 0.00 -6.42 5.44 3.64 -1.11 -2.47 116.57 120.78 3i48 h LYS 107 Ca -0.28 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.45 3i48 h LYS 107 Cb 1.19 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 3i48 h LYS 107 CO 0.38 0.07 -0.70 0.71 -2.27 0.00 0.00 179.45 177.65 3i48 s TYR 108 N -3.28 2.87 0.18 1.91 2.02 -1.26 -4.79 117.35 115.00 3i48 s TYR 108 Ca 0.05 -0.08 -0.33 0.00 -0.37 0.00 0.00 57.07 56.34 3i48 s TYR 108 Cb 0.06 -1.50 -0.15 0.00 -0.40 0.00 0.00 41.96 39.97 3i48 s TYR 108 CO 0.65 0.45 1.34 -2.30 -1.57 0.00 0.00 175.55 174.12 3i48 n PRO 109 N 0.74 1.61 -3.16 -1.71 -0.02 -1.26 -4.74 135.00 126.45 3i48 n PRO 109 Ca -0.12 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 3i48 n PRO 109 Cb 0.52 -2.19 -0.07 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.12 5.02 -0.22 4.25 1.01 -1.26 -1.99 121.20 128.13 3i48 s ILE 110 Ca 0.74 1.04 0.22 0.00 0.00 0.00 0.00 60.65 62.65 3i48 s ILE 110 Cb -0.77 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 3i48 s ILE 110 CO 0.48 0.06 0.98 0.29 0.00 0.00 0.00 174.94 176.76 3i48 n LYS 111 N 5.55 0.60 -3.66 2.79 5.02 0.90 -4.90 118.16 124.45 3i48 n LYS 111 Ca -0.02 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3i48 n LYS 111 Cb 0.49 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 3i48 n LYS 111 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3i48 s GLU 112 N -3.38 0.68 -0.04 1.97 2.12 -1.21 -4.97 118.70 113.88 3i48 s GLU 112 Ca -0.01 0.91 -0.01 0.00 0.36 0.00 0.00 54.97 56.22 3i48 s GLU 112 Cb 0.10 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.80 3i48 s GLU 112 CO 0.80 -0.10 0.07 -1.59 -0.54 0.00 0.00 175.26 173.90 3i48 s LYS 113 N 0.66 0.00 -0.02 4.30 -2.85 -1.26 -1.83 119.74 118.75 3i48 s LYS 113 Ca -0.03 0.27 0.03 0.00 -1.00 0.00 0.00 55.97 55.25 3i48 s LYS 113 Cb -0.05 -0.24 -0.00 0.00 -2.06 0.00 0.00 37.83 35.48 3i48 s LYS 113 CO -0.04 -0.18 -0.12 0.42 0.10 0.00 0.00 175.35 175.53 3i48 s ILE 114 N 1.20 0.99 -0.04 3.79 1.01 -0.39 -0.62 121.20 127.13 3i48 s ILE 114 Ca -0.08 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3i48 s ILE 114 Cb -0.12 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 3i48 s ILE 114 CO -0.04 0.29 -0.12 0.00 0.00 0.00 0.00 174.94 175.07 3i48 s GLN 115 N -0.09 2.54 -0.20 2.79 -2.07 -0.70 -0.57 119.66 121.36 3i48 s GLN 115 Ca 0.01 -0.68 -0.02 0.00 -1.82 0.00 0.00 55.36 52.85 3i48 s GLN 115 Cb -0.07 -2.43 0.06 0.00 -1.09 0.00 0.00 33.01 29.48 3i48 s GLN 115 CO 0.00 0.63 0.02 -1.58 -1.32 0.00 0.00 175.29 173.04 3i48 s HIS 116 N -0.79 1.24 -0.07 9.60 2.46 -0.26 -0.55 115.29 126.91 3i48 s HIS 116 Ca 0.12 -1.00 -0.29 0.00 0.47 0.00 0.00 55.06 54.36 3i48 s HIS 116 Cb -0.11 -1.12 -0.02 0.00 -0.13 0.00 0.00 32.58 31.21 3i48 s HIS 116 CO 0.02 -0.64 0.97 0.08 -2.47 0.00 0.00 174.74 172.70 3i48 s VAL 117 N 1.79 4.84 0.30 0.89 1.01 -0.74 -0.52 120.40 127.96 3i48 s VAL 117 Ca -0.02 1.99 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 3i48 s VAL 117 Cb -0.17 -4.29 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 3i48 s VAL 117 CO -0.08 0.08 1.51 0.49 0.00 0.00 0.00 175.10 177.09 3i48 n PHE 118 N 4.55 2.68 0.05 5.22 3.72 0.69 -0.49 117.46 133.88 3i48 n PHE 118 Ca 0.07 0.36 -0.05 0.00 -0.05 0.00 0.00 57.45 57.77 3i48 n PHE 118 Cb 0.50 -2.54 -0.10 0.00 -0.94 0.00 0.00 39.48 36.40 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 4.11 0.00 -6.24 -1.08 1.57 -1.94 -3.37 116.57 109.62 3i48 h LYS 119 Ca -0.47 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 3i48 h LYS 119 Cb 1.24 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.51 3i48 h LYS 119 CO 0.74 0.72 -0.08 -1.12 -0.57 0.00 0.00 179.45 179.14 3i48 s SER 120 N -6.42 6.93 0.00 0.86 0.01 -1.26 -4.98 113.70 108.84 3i48 s SER 120 Ca -0.00 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.40 3i48 s SER 120 Cb 0.09 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 64.01 3i48 s SER 120 CO 0.81 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.28 3i48 n GLY 121 N 1.35 -0.88 3.28 3.44 0.00 -1.26 -4.89 105.19 106.23 3i48 n GLY 121 Ca -0.09 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 3i48 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i48 h GLY 123 N 6.39 0.00 -1.19 0.00 0.00 -2.01 -1.81 103.07 104.45 3i48 h GLY 123 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 3i48 h GLY 123 CO 0.49 0.00 -0.04 1.97 0.00 0.00 0.00 176.54 178.95 3i48 n PHE 124 N -2.64 0.65 -2.69 5.60 1.16 -1.26 -3.98 117.46 114.29 3i48 n PHE 124 Ca 0.03 -1.09 -0.06 0.00 -1.87 0.00 0.00 57.45 54.46 3i48 n PHE 124 Cb 0.35 -0.30 0.10 0.00 -1.61 0.00 0.00 39.48 38.02 3i48 n PHE 124 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3i48 n ASP 125 N -0.93 -1.10 -0.75 5.98 5.75 -1.17 -5.02 116.55 119.31 3i48 n ASP 125 Ca 0.22 -2.45 0.05 0.00 -0.01 0.00 0.00 54.79 52.59 3i48 n ASP 125 Cb 0.84 0.63 0.16 0.00 -1.03 0.00 0.00 41.12 41.72 3i48 n ASP 125 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3i48 n ASN 126 N -0.64 2.13 -0.65 -1.12 2.04 -0.69 -4.32 115.26 112.02 3i48 n ASN 126 Ca -0.03 -2.11 0.02 0.00 -0.44 0.00 0.00 54.58 52.02 3i48 n ASN 126 Cb 0.85 -0.31 0.08 0.00 -2.53 0.00 0.00 39.78 37.86 3i48 n ASN 126 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 3i48 n ASP 127 N 0.43 1.66 -4.29 0.53 -0.08 -1.26 -4.77 116.55 108.77 3i48 n ASP 127 Ca 0.12 -2.14 -0.31 0.00 -1.51 0.00 0.00 54.79 50.95 3i48 n ASP 127 Cb 0.38 -0.43 -0.16 0.00 2.34 0.00 0.00 41.12 43.25 3i48 n ASP 127 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3i48 s SER 128 N -0.35 3.04 -0.05 1.67 0.15 -1.26 -3.36 113.70 113.54 3i48 s SER 128 Ca 0.10 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.26 3i48 s SER 128 Cb 0.07 -0.57 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 3i48 s SER 128 CO 0.04 0.28 2.09 0.59 1.20 0.00 0.00 173.24 177.45 3i48 n ASN 129 N 2.68 5.53 -4.69 5.45 3.02 -1.17 -4.93 115.26 121.15 3i48 n ASN 129 Ca -0.17 -2.52 -0.37 0.00 -0.03 0.00 0.00 54.58 51.49 3i48 n ASN 129 Cb 0.51 -1.13 0.07 0.00 -0.61 0.00 0.00 39.78 38.62 3i48 n ASN 129 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3i48 n LYS 130 N 1.36 0.92 -0.01 3.52 5.02 -1.26 -3.79 118.16 123.93 3i48 n LYS 130 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3i48 n LYS 130 Cb 0.53 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 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 1.00 -0.56 3.15 0.72 0.00 -1.26 -0.22 105.19 108.02 3i48 n GLY 131 Ca 0.15 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.79 -0.08 1.61 -0.71 0.32 -3.18 117.98 112.74 3i48 s PHE 132 Ca 0.00 -1.04 0.03 0.00 -1.04 0.00 0.00 56.93 54.88 3i48 s PHE 132 Cb 0.00 -0.49 0.01 0.00 -1.21 0.00 0.00 43.02 41.33 3i48 s PHE 132 CO 0.00 -0.30 -0.17 0.08 -1.34 0.00 0.00 175.22 173.49 3i48 s VAL 133 N -3.80 1.52 -0.09 -2.49 1.01 0.15 -1.11 120.40 115.59 3i48 s VAL 133 Ca 0.14 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3i48 s VAL 133 Cb 0.07 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3i48 s VAL 133 CO -0.04 0.44 -0.06 -0.47 0.00 0.00 0.00 175.10 174.97 3i48 s TYR 134 N 0.53 2.97 0.01 5.22 5.04 0.27 -0.76 117.35 130.62 3i48 s TYR 134 Ca -0.16 -0.04 0.01 0.00 -2.44 0.00 0.00 57.07 54.44 3i48 s TYR 134 Cb -0.17 -1.77 -0.01 0.00 0.35 0.00 0.00 41.96 40.37 3i48 s TYR 134 CO 0.06 0.26 -0.05 0.95 -1.34 0.00 0.00 175.55 175.43 3i48 s THR 135 N -0.57 0.36 -0.12 4.34 -4.23 0.07 -1.26 115.64 114.22 3i48 s THR 135 Ca 0.09 -0.41 -0.01 0.00 -1.18 0.00 0.00 61.69 60.18 3i48 s THR 135 Cb -0.12 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.36 3i48 s THR 135 CO 0.02 -0.04 -0.10 -0.75 -0.54 0.00 0.00 174.62 173.21 3i48 s LYS 136 N -0.49 3.32 0.03 3.99 2.20 -0.76 -0.95 119.74 127.08 3i48 s LYS 136 Ca -0.02 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.03 3i48 s LYS 136 Cb -0.04 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 3i48 s LYS 136 CO -0.00 0.32 -0.18 0.42 -0.36 0.00 0.00 175.35 175.55 3i48 s ILE 137 N 0.11 1.41 -0.25 5.43 1.01 0.83 -0.07 121.20 129.67 3i48 s ILE 137 Ca -0.04 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.52 3i48 s ILE 137 Cb -0.14 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3i48 s ILE 137 CO 0.04 0.17 0.02 -0.70 0.00 0.00 0.00 174.94 174.47 3i48 s GLU 138 N -1.01 3.40 -0.10 2.79 2.12 -0.84 -1.43 118.70 123.62 3i48 s GLU 138 Ca 0.05 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.76 3i48 s GLU 138 Cb -0.08 -3.19 0.02 0.00 0.26 0.00 0.00 34.13 31.13 3i48 s GLU 138 CO 0.01 -0.25 -0.13 0.21 -0.54 0.00 0.00 175.26 174.56 3i48 s LYS 139 N 1.53 1.96 -1.46 4.30 2.20 0.41 -4.17 119.74 124.50 3i48 s LYS 139 Ca 0.05 -0.47 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3i48 s LYS 139 Cb -0.15 -1.71 0.02 0.00 -1.51 0.00 0.00 37.83 34.48 3i48 s LYS 139 CO 0.00 -0.08 0.88 0.09 -0.36 0.00 0.00 175.35 175.88 3i48 n ASN 140 N 4.24 -5.97 0.00 1.43 5.03 -1.26 -1.70 115.26 117.03 3i48 n ASN 140 Ca -0.19 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.81 3i48 n ASN 140 Cb 0.51 -4.77 0.00 0.00 -1.02 0.00 0.00 39.78 34.50 3i48 n ASN 140 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i48 n GLY 141 N -1.72 1.05 3.75 7.41 0.00 -1.26 -4.98 105.19 109.44 3i48 n GLY 141 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.25 2.40 0.07 1.61 1.02 -0.69 -5.09 119.74 118.81 3i48 s LYS 142 Ca 0.00 -1.54 0.04 0.00 0.02 0.00 0.00 55.97 54.49 3i48 s LYS 142 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 3i48 s LYS 142 CO 0.00 0.09 0.01 -0.80 -0.92 0.00 0.00 175.35 173.73 3i48 s ASN 143 N -3.87 5.12 0.04 2.83 0.02 -1.26 -0.44 114.94 117.38 3i48 s ASN 143 Ca 0.38 -0.11 -0.11 0.00 -1.02 0.00 0.00 52.86 52.00 3i48 s ASN 143 Cb -0.03 -1.27 0.01 0.00 0.02 0.00 0.00 41.25 39.98 3i48 s ASN 143 CO 0.23 0.20 0.24 0.54 0.02 0.00 0.00 177.10 178.33 3i48 s VAL 144 N -1.27 0.10 -0.03 1.60 0.11 -0.52 -4.55 120.40 115.85 3i48 s VAL 144 Ca 0.25 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 3i48 s VAL 144 Cb -0.12 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.79 3i48 s VAL 144 CO 0.17 -0.45 -0.16 -1.00 -3.33 0.00 0.00 175.10 170.32 3i48 s HIS 145 N -2.63 1.55 -0.07 1.54 3.76 -0.74 -0.12 115.29 118.60 3i48 s HIS 145 Ca -0.05 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.49 3i48 s HIS 145 Cb -0.01 -1.03 0.02 0.00 1.11 0.00 0.00 32.58 32.67 3i48 s HIS 145 CO -0.04 -0.10 -0.06 0.08 -0.85 0.00 0.00 174.74 173.77 3i48 s VAL 146 N -0.13 0.75 -0.18 -0.90 1.01 -0.12 -0.72 120.40 120.11 3i48 s VAL 146 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3i48 s VAL 146 Cb -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3i48 s VAL 146 CO 0.01 0.29 -0.07 -0.63 0.00 0.00 0.00 175.10 174.70 3i48 s ILE 147 N 1.22 3.42 -0.01 2.22 1.01 0.51 -0.75 121.20 128.82 3i48 s ILE 147 Ca -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3i48 s ILE 147 Cb -0.14 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 3i48 s ILE 147 CO -0.02 0.47 -0.04 -0.83 0.00 0.00 0.00 174.94 174.52 3i48 s GLY 148 N 0.85 1.79 0.24 6.18 0.00 0.06 -0.53 107.32 115.91 3i48 s GLY 148 Ca -0.02 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.60 3i48 s GLY 148 CO 0.01 -0.82 0.47 -1.08 0.00 0.00 0.00 173.10 171.68 3i48 s THR 149 N -0.99 0.01 -0.22 0.90 -1.32 -0.01 -0.68 115.64 113.33 3i48 s THR 149 Ca 0.17 -1.34 -0.05 0.00 -1.21 0.00 0.00 61.69 59.26 3i48 s THR 149 Cb -0.11 -2.12 0.11 0.00 -1.51 0.00 0.00 72.50 68.87 3i48 s THR 149 CO 0.07 -0.03 0.41 -2.28 -2.21 0.00 0.00 174.62 170.58 3i48 s HIS 150 N -4.00 -0.84 0.48 9.09 2.46 -1.19 -2.77 115.29 118.52 3i48 s HIS 150 Ca 0.21 1.28 0.08 0.00 0.47 0.00 0.00 55.06 57.10 3i48 s HIS 150 Cb -0.01 0.21 0.03 0.00 -0.13 0.00 0.00 32.58 32.69 3i48 s HIS 150 CO 0.07 -0.59 0.62 0.95 -2.47 0.00 0.00 174.74 173.32 3i48 s THR 151 N 2.60 2.61 -0.24 0.89 -4.23 -0.75 -4.03 115.64 112.50 3i48 s THR 151 Ca 0.04 -1.06 -0.41 0.00 -1.18 0.00 0.00 61.69 59.09 3i48 s THR 151 Cb -0.13 -2.67 -0.17 0.00 1.34 0.00 0.00 72.50 70.87 3i48 s THR 151 CO -0.14 0.00 1.62 1.67 -0.54 0.00 0.00 174.62 177.23 3i48 n GLN 152 N -1.95 0.91 -0.95 3.99 -0.06 -1.26 -4.80 117.38 113.26 3i48 n GLN 152 Ca 0.10 0.33 -0.31 0.00 -2.00 0.00 0.00 57.00 55.12 3i48 n GLN 152 Cb 0.60 -1.97 0.14 0.00 -4.06 0.00 0.00 30.24 24.96 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 2.76 3.41 -1.25 1.69 0.01 -1.26 -4.81 113.70 114.24 3i48 s SER 153 Ca 0.97 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 59.96 3i48 s SER 153 Cb -1.13 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 62.62 3i48 s SER 153 CO 0.65 -2.75 1.88 -0.62 0.41 0.00 0.00 173.24 172.82 3i48 n GLU 154 N -3.99 2.61 -2.97 12.44 4.71 -1.26 -4.90 120.64 127.29 3i48 n GLU 154 Ca 0.10 -2.85 -0.40 0.00 -0.01 0.00 0.00 57.16 54.00 3i48 n GLU 154 Cb 0.53 -3.47 -0.04 0.00 -1.01 0.00 0.00 31.44 27.44 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 4.67 7.13 0.00 1.62 -1.08 -1.26 -4.95 116.67 122.80 3i48 s ASP 155 Ca 0.57 1.36 0.27 0.00 -0.52 0.00 0.00 52.55 54.22 3i48 s ASP 155 Cb 0.05 -2.46 1.17 0.00 -1.46 0.00 0.00 42.92 40.23 3i48 s ASP 155 CO 0.07 -0.09 1.87 -1.20 0.52 0.00 0.00 175.17 176.33 3i48 n SER 156 N 3.46 0.00 -0.08 -0.34 7.64 -1.26 -2.52 113.62 120.52 3i48 n SER 156 Ca -0.00 0.41 -0.22 0.00 1.01 0.00 0.00 58.87 60.07 3i48 n SER 156 Cb 0.51 -0.47 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 3i48 n SER 156 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i48 n ARG 157 N -1.47 0.66 -0.00 1.43 5.12 -1.26 -4.30 116.66 116.83 3i48 n ARG 157 Ca 0.07 0.31 -0.04 0.00 -1.93 0.00 0.00 57.85 56.26 3i48 n ARG 157 Cb 0.30 -1.64 0.17 0.00 -1.16 0.00 0.00 32.46 30.14 3i48 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i48 n GLY 159 N -0.32 2.56 0.14 0.00 0.00 -1.05 -4.56 105.19 101.97 3i48 n GLY 159 Ca -0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.40 3i48 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i48 h ALA 160 N 0.00 0.36 -0.79 4.61 0.00 -1.92 0.34 119.26 121.87 3i48 h ALA 160 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i48 h ALA 160 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3i48 h ALA 160 CO 0.00 -0.28 0.51 0.78 0.00 0.00 0.00 179.25 180.26 3i48 h GLY 161 N 0.26 1.12 1.34 0.00 0.00 -1.97 -1.99 103.07 101.83 3i48 h GLY 161 Ca 0.14 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 3i48 h GLY 161 CO -0.13 0.37 -0.52 0.45 0.00 0.00 0.00 176.54 176.71 3i48 h HIS 162 N 1.03 0.87 -0.68 5.60 -0.00 -1.64 -2.10 115.15 118.23 3i48 h HIS 162 Ca 0.30 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3i48 h HIS 162 Cb -0.07 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 3i48 h HIS 162 CO -0.02 1.07 0.43 -0.44 -0.00 0.00 0.00 177.93 178.97 3i48 h ASP 163 N 0.54 0.80 -0.42 2.45 3.32 0.04 0.19 116.42 123.34 3i48 h ASP 163 Ca 0.02 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3i48 h ASP 163 Cb 1.09 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 3i48 h ASP 163 CO 0.11 0.60 0.15 -0.09 -1.72 0.00 0.00 179.24 178.29 3i48 h ARG 164 N 0.92 0.64 -0.69 3.56 2.43 -1.32 0.61 114.38 120.53 3i48 h ARG 164 Ca 0.25 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3i48 h ARG 164 Cb -0.07 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3i48 h ARG 164 CO -0.05 0.61 0.21 0.87 -1.51 0.00 0.00 179.97 180.09 3i48 h LYS 165 N 0.53 1.07 0.17 0.20 1.57 -0.66 -0.59 116.57 118.86 3i48 h LYS 165 Ca 0.14 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3i48 h LYS 165 Cb 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3i48 h LYS 165 CO -0.01 0.92 -0.08 0.82 -0.57 0.00 0.00 179.45 180.53 3i48 h ILE 166 N 1.03 0.84 -0.47 1.86 2.04 -0.29 -1.40 117.51 121.11 3i48 h ILE 166 Ca 0.22 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.14 3i48 h ILE 166 Cb 0.30 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 3i48 h ILE 166 CO -0.01 0.00 0.16 0.03 0.00 0.00 0.00 178.15 178.33 3i48 h ARG 167 N -0.23 0.32 -0.33 2.37 3.08 -0.68 0.30 114.38 119.21 3i48 h ARG 167 Ca -0.02 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.08 3i48 h ARG 167 Cb 0.17 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.08 3i48 h ARG 167 CO 0.04 0.21 -0.19 0.00 -1.07 0.00 0.00 179.97 178.96 3i48 h ALA 168 N 1.32 0.05 -0.38 0.04 0.00 -0.83 0.71 119.26 120.17 3i48 h ALA 168 Ca 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3i48 h ALA 168 Cb 0.24 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3i48 h ALA 168 CO -0.24 -0.58 -0.10 0.93 0.00 0.00 0.00 179.25 179.26 3i48 h GLU 169 N -0.14 0.65 -0.55 0.00 4.39 -0.61 -1.10 114.58 117.22 3i48 h GLU 169 Ca 0.17 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3i48 h GLU 169 Cb 0.40 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3i48 h GLU 169 CO -0.42 0.74 -0.09 1.96 -1.16 0.00 0.00 179.01 180.05 3i48 h GLN 170 N 0.60 1.03 -0.31 2.33 4.20 -0.51 -0.67 115.11 121.77 3i48 h GLN 170 Ca 0.11 -0.37 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 3i48 h GLN 170 Cb 0.53 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 3i48 h GLN 170 CO 0.03 1.06 -0.12 0.52 -0.67 0.00 0.00 178.83 179.65 3i48 h MET 171 N 0.91 0.54 -0.07 1.46 2.86 -0.54 -2.36 114.93 117.73 3i48 h MET 171 Ca 0.14 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3i48 h MET 171 Cb 0.65 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3i48 h MET 171 CO 0.05 0.65 -0.33 0.87 1.06 0.00 0.00 176.91 179.21 3i48 h LYS 172 N 0.49 0.14 -0.89 1.72 1.57 -0.82 -0.66 116.57 118.12 3i48 h LYS 172 Ca 0.09 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3i48 h LYS 172 Cb 0.51 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3i48 h LYS 172 CO 0.03 0.46 0.58 0.93 -0.57 0.00 0.00 179.45 180.88 3i48 h GLU 173 N 0.12 1.18 0.15 3.15 5.08 -0.60 0.25 114.58 123.90 3i48 h GLU 173 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3i48 h GLU 173 Cb 0.65 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3i48 h GLU 173 CO 0.05 0.79 -0.07 0.82 -1.00 0.00 0.00 179.01 179.59 3i48 h ILE 174 N 1.21 0.99 -0.25 3.13 2.04 -1.10 -1.12 117.51 122.40 3i48 h ILE 174 Ca 0.33 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3i48 h ILE 174 Cb -0.13 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3i48 h ILE 174 CO -0.07 0.20 -0.17 0.77 0.00 0.00 0.00 178.15 178.88 3i48 h SER 175 N -0.67 0.43 -0.40 1.72 4.64 -0.98 -0.77 113.55 117.52 3i48 h SER 175 Ca -0.02 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 3i48 h SER 175 Cb 0.49 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3i48 h SER 175 CO 0.03 0.63 0.16 0.44 -0.87 0.00 0.00 176.83 177.22 3i48 h ASP 176 N 0.40 0.56 -0.42 4.97 5.19 -0.52 -1.87 116.42 124.73 3i48 h ASP 176 Ca 0.07 -0.17 0.08 0.00 -0.62 0.00 0.00 57.03 56.39 3i48 h ASP 176 Cb 0.54 -0.15 -0.07 0.00 0.18 0.00 0.00 39.33 39.83 3i48 h ASP 176 CO 0.04 0.58 -0.02 0.15 -3.12 0.00 0.00 179.24 176.87 3i48 h PHE 177 N 0.51 -0.06 -0.39 4.55 3.57 -0.49 0.10 116.94 124.73 3i48 h PHE 177 Ca 0.13 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3i48 h PHE 177 Cb 0.20 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3i48 h PHE 177 CO 0.00 -0.10 0.24 0.28 -2.23 0.00 0.00 178.31 176.50 3i48 h VAL 178 N 0.09 1.07 -0.34 1.41 2.07 -0.97 -0.36 116.25 119.22 3i48 h VAL 178 Ca 0.21 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3i48 h VAL 178 Cb 0.30 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3i48 h VAL 178 CO -0.36 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.44 3i48 h LYS 179 N 0.49 0.59 0.00 1.57 1.57 -1.08 -2.73 116.57 116.98 3i48 h LYS 179 Ca 0.15 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3i48 h LYS 179 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3i48 h LYS 179 CO -0.05 0.70 -0.01 1.57 -0.57 0.00 0.00 179.45 181.09 3i48 h LYS 180 N 0.40 0.00 0.00 3.15 2.10 -0.53 -2.52 116.57 119.17 3i48 h LYS 180 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3i48 h LYS 180 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 3i48 h LYS 180 CO 0.01 0.01 0.00 -0.22 -2.00 0.00 0.00 179.45 177.26 3i48 h LYS 181 N 0.00 0.00 -6.23 0.07 1.63 -0.75 -3.47 116.57 107.82 3i48 h LYS 181 Ca -0.00 0.00 -0.44 0.00 -0.85 0.00 0.00 60.65 59.36 3i48 h LYS 181 Cb 0.58 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.23 3i48 h LYS 181 CO 0.00 0.00 -0.87 -1.71 -3.45 0.00 0.00 179.45 173.42 3i48 n ASN 182 N -2.92 -1.78 -4.72 4.20 5.15 -0.95 -4.92 115.26 109.32 3i48 n ASN 182 Ca 0.01 -0.92 -0.42 0.00 -0.60 0.00 0.00 54.58 52.66 3i48 n ASN 182 Cb 0.33 -3.63 -0.03 0.00 -0.53 0.00 0.00 39.78 35.91 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 -3.73 4.43 0.47 -1.44 1.01 -1.26 -4.96 121.20 115.71 3i48 s ILE 183 Ca 0.10 1.82 -0.24 0.00 0.00 0.00 0.00 60.65 62.33 3i48 s ILE 183 Cb -0.03 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 3i48 s ILE 183 CO 0.84 0.18 1.37 -2.16 0.00 0.00 0.00 174.94 175.17 3i48 s PRO 184 N 0.70 3.61 0.00 2.79 0.04 -1.26 -4.84 135.00 136.04 3i48 s PRO 184 Ca 0.53 2.27 0.14 0.00 0.04 0.00 0.00 61.00 63.99 3i48 s PRO 184 Cb -0.25 -2.56 0.63 0.00 0.04 0.00 0.00 34.50 32.36 3i48 s PRO 184 CO 0.30 -0.83 1.45 1.63 0.04 0.00 0.00 177.00 179.59 3i48 n LYS 185 N -0.36 0.03 -0.24 4.56 5.02 -1.26 -1.75 118.16 124.16 3i48 n LYS 185 Ca 0.06 0.24 0.05 0.00 -2.02 0.00 0.00 58.31 56.64 3i48 n LYS 185 Cb 0.43 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 34.10 3i48 n LYS 185 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i48 n ASP 186 N -1.47 2.22 -4.20 4.39 5.75 -1.26 -0.10 116.55 121.89 3i48 n ASP 186 Ca 0.04 -2.13 -0.27 0.00 -0.01 0.00 0.00 54.79 52.43 3i48 n ASP 186 Cb 0.16 -0.33 -0.16 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.62 1.71 0.28 0.11 2.02 -0.71 -4.75 118.70 115.74 3i48 s GLU 187 Ca 0.23 -0.70 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 3i48 s GLU 187 Cb 0.14 -1.60 -0.09 0.00 0.10 0.00 0.00 34.13 32.68 3i48 s GLU 187 CO 0.13 0.39 1.03 0.99 0.02 0.00 0.00 175.26 177.82 3i48 s THR 188 N -0.34 3.74 -0.28 3.63 2.01 -1.26 -3.70 115.64 119.44 3i48 s THR 188 Ca 0.05 1.68 0.03 0.00 0.31 0.00 0.00 61.69 63.76 3i48 s THR 188 Cb -0.09 -4.04 0.07 0.00 0.01 0.00 0.00 72.50 68.45 3i48 s THR 188 CO 0.00 0.35 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.51 3i48 s VAL 189 N -1.26 2.19 0.24 3.82 1.01 -1.26 -1.78 120.40 123.37 3i48 s VAL 189 Ca 0.45 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.42 3i48 s VAL 189 Cb -0.28 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 3i48 s VAL 189 CO 0.36 -0.15 0.79 -0.31 0.00 0.00 0.00 175.10 175.79 3i48 s TYR 190 N 1.06 3.69 -0.15 5.22 2.02 0.10 -0.84 117.35 128.44 3i48 s TYR 190 Ca -0.05 1.52 -0.02 0.00 -0.37 0.00 0.00 57.07 58.16 3i48 s TYR 190 Cb -0.20 -2.72 0.04 0.00 -0.40 0.00 0.00 41.96 38.69 3i48 s TYR 190 CO -0.06 0.32 0.00 0.42 -1.57 0.00 0.00 175.55 174.67 3i48 s ILE 191 N -1.51 0.61 0.12 2.71 1.01 0.16 -0.36 121.20 123.94 3i48 s ILE 191 Ca 0.44 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3i48 s ILE 191 Cb -0.18 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 3i48 s ILE 191 CO 0.22 0.02 0.17 -0.83 0.00 0.00 0.00 174.94 174.53 3i48 s GLY 192 N 1.85 0.51 0.00 6.18 0.00 0.31 -0.41 107.32 115.76 3i48 s GLY 192 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3i48 s GLY 192 CO -0.07 -1.01 0.00 0.61 0.00 0.00 0.00 173.10 172.63 3i48 n GLY 193 N -0.11 0.55 3.51 0.20 0.00 0.21 -0.83 105.19 108.72 3i48 n GLY 193 Ca -0.10 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 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 6.25 0.00 1.61 2.15 -1.11 -1.62 116.67 119.95 3i48 s ASP 194 Ca 0.00 -0.54 0.22 0.00 0.43 0.00 0.00 52.55 52.66 3i48 s ASP 194 Cb 0.00 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 40.09 3i48 s ASP 194 CO 0.00 -1.48 1.00 0.18 -0.17 0.00 0.00 175.17 174.70 3i48 n LEU 195 N 8.11 0.80 -2.73 -1.34 4.77 -0.23 -1.80 117.00 124.57 3i48 n LEU 195 Ca 0.01 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 3i48 n LEU 195 Cb 0.47 -0.06 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 3i48 n LEU 195 CO 0.66 0.19 -0.13 0.59 -1.33 0.00 0.00 177.39 177.37 3i48 n ASN 196 N -1.60 -5.64 -4.10 -1.43 3.02 -0.94 -4.72 115.26 99.86 3i48 n ASN 196 Ca 0.04 -0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.14 3i48 n ASN 196 Cb 0.36 -4.64 -0.16 0.00 -0.61 0.00 0.00 39.78 34.72 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 -3.05 1.83 0.12 2.41 1.01 -1.26 -4.82 120.40 116.64 3i48 s VAL 197 Ca 0.15 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3i48 s VAL 197 Cb -0.07 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 3i48 s VAL 197 CO 0.19 0.50 1.08 0.21 0.00 0.00 0.00 175.10 177.09 3i48 s ASN 198 N 1.11 7.28 0.47 3.32 2.47 -1.26 -4.38 114.94 123.95 3i48 s ASN 198 Ca -0.01 1.98 -0.24 0.00 0.42 0.00 0.00 52.86 55.01 3i48 s ASN 198 Cb -0.14 -2.59 -0.08 0.00 -1.45 0.00 0.00 41.25 36.98 3i48 s ASN 198 CO -0.06 -0.25 1.19 1.17 -3.72 0.00 0.00 177.10 175.43 3i48 n LYS 199 N 2.90 1.63 -1.25 0.43 4.81 -1.05 -3.28 118.16 122.35 3i48 n LYS 199 Ca 0.04 0.59 -0.03 0.00 -0.87 0.00 0.00 58.31 58.04 3i48 n LYS 199 Cb 0.47 -2.32 -0.01 0.00 0.02 0.00 0.00 35.03 33.19 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 0.94 0.54 3.57 3.14 0.00 -1.26 -4.92 105.19 107.21 3i48 n GLY 200 Ca 0.09 -0.92 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.11 2.97 0.39 2.61 -4.23 -1.21 -5.02 115.64 109.04 3i48 s THR 201 Ca 0.00 -2.12 0.14 0.00 -1.18 0.00 0.00 61.69 58.53 3i48 s THR 201 Cb 0.00 -2.62 0.36 0.00 1.34 0.00 0.00 72.50 71.58 3i48 s THR 201 CO 0.00 -0.37 1.84 -0.65 -0.54 0.00 0.00 174.62 174.90 3i48 h PRO 202 N 2.03 0.50 0.00 3.99 0.11 -1.96 -1.51 132.00 135.17 3i48 h PRO 202 Ca -0.42 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3i48 h PRO 202 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i48 h PRO 202 CO 0.61 0.33 -0.36 1.49 -0.21 0.00 0.00 178.00 179.86 3i48 h GLU 203 N 0.52 0.00 -0.67 1.05 4.81 -1.95 -2.95 114.58 115.39 3i48 h GLU 203 Ca 0.49 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.75 3i48 h GLU 203 Cb 1.06 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3i48 h GLU 203 CO -0.22 0.36 0.42 0.35 -0.73 0.00 0.00 179.01 179.19 3i48 h PHE 204 N 0.00 0.79 -0.72 0.92 3.57 -1.47 -0.21 116.94 119.82 3i48 h PHE 204 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3i48 h PHE 204 Cb 0.65 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 3i48 h PHE 204 CO 0.00 0.46 0.44 0.87 -2.23 0.00 0.00 178.31 177.85 3i48 h LYS 205 N 0.83 0.98 -0.63 1.11 6.56 -1.57 -1.87 116.57 121.99 3i48 h LYS 205 Ca 0.26 -0.09 0.06 0.00 -1.06 0.00 0.00 60.65 59.82 3i48 h LYS 205 Cb -0.01 -0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 31.39 3i48 h LYS 205 CO -0.09 0.69 0.34 -0.44 -2.06 0.00 0.00 179.45 177.89 3i48 h ASP 206 N 0.99 0.49 -0.57 0.86 3.32 -1.35 -2.61 116.42 117.55 3i48 h ASP 206 Ca 0.26 0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.38 3i48 h ASP 206 Cb -0.04 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 3i48 h ASP 206 CO -0.05 0.32 0.33 -0.03 -1.72 0.00 0.00 179.24 178.09 3i48 h MET 207 N 0.63 0.62 -0.85 3.56 1.85 -0.36 0.21 114.93 120.59 3i48 h MET 207 Ca 0.28 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.33 3i48 h MET 207 Cb 0.18 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 3i48 h MET 207 CO -0.18 0.41 0.52 -0.07 -0.40 0.00 0.00 176.91 177.19 3i48 h LEU 208 N 0.63 1.01 -0.12 3.39 3.38 -1.06 -0.20 115.31 122.34 3i48 h LEU 208 Ca 0.24 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 3i48 h LEU 208 Cb 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3i48 h LEU 208 CO -0.13 0.76 -0.19 0.11 0.09 0.00 0.00 178.44 179.08 3i48 h LYS 209 N 1.16 0.34 -0.29 1.13 6.56 -1.07 -1.09 116.57 123.32 3i48 h LYS 209 Ca 0.31 -0.21 -0.07 0.00 -1.06 0.00 0.00 60.65 59.61 3i48 h LYS 209 Cb -0.07 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.60 3i48 h LYS 209 CO -0.06 0.79 -0.13 -0.91 -2.06 0.00 0.00 179.45 177.08 3i48 h ASN 210 N -0.07 0.48 0.91 0.86 2.35 -0.35 -2.38 115.58 117.38 3i48 h ASN 210 Ca 0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3i48 h ASN 210 Cb 0.76 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3i48 h ASN 210 CO 0.04 0.65 -0.56 0.18 -1.65 0.00 0.00 177.43 176.09 3i48 n LEU 211 N -4.20 0.70 -2.83 1.61 4.77 -0.11 -4.06 117.00 112.88 3i48 n LEU 211 Ca 0.00 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3i48 n LEU 211 Cb 0.33 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3i48 n LEU 211 CO 0.40 -0.06 0.09 -3.20 -1.33 0.00 0.00 177.39 173.29 3i48 n ASN 212 N -2.10 -2.19 -4.35 -1.43 5.15 -0.59 -4.70 115.26 105.05 3i48 n ASN 212 Ca 0.04 -0.46 -0.25 0.00 -0.60 0.00 0.00 54.58 53.30 3i48 n ASN 212 Cb 0.43 -3.99 -0.12 0.00 -0.53 0.00 0.00 39.78 35.58 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 -3.27 2.01 0.43 3.44 -7.23 -0.52 -0.11 120.40 115.15 3i48 s VAL 213 Ca 0.02 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.21 3i48 s VAL 213 Cb -0.01 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.97 3i48 s VAL 213 CO 0.55 -0.12 0.89 0.20 -0.31 0.00 0.00 175.10 176.31 3i48 s ASN 214 N -2.35 6.74 0.99 4.85 0.02 -1.22 -4.69 114.94 119.28 3i48 s ASN 214 Ca 0.14 1.47 -0.14 0.00 -1.02 0.00 0.00 52.86 53.32 3i48 s ASN 214 Cb -0.08 -2.46 0.18 0.00 0.02 0.00 0.00 41.25 38.91 3i48 s ASN 214 CO 0.07 -0.41 1.13 -0.62 0.02 0.00 0.00 177.10 177.29 3i48 s ASP 215 N -2.64 2.78 0.37 -1.22 -1.08 -1.26 -4.60 116.67 109.02 3i48 s ASP 215 Ca 0.58 0.93 0.04 0.00 -0.52 0.00 0.00 52.55 53.57 3i48 s ASP 215 Cb -0.10 -1.45 -0.05 0.00 -1.46 0.00 0.00 42.92 39.87 3i48 s ASP 215 CO 0.23 -3.00 0.08 0.68 0.52 0.00 0.00 175.17 173.67 3i48 s VAL 216 N -3.18 0.98 0.17 1.11 -7.23 -1.26 -5.02 120.40 105.96 3i48 s VAL 216 Ca 0.66 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.69 3i48 s VAL 216 Cb -0.15 -2.59 -0.07 0.00 0.56 0.00 0.00 36.38 34.14 3i48 s VAL 216 CO 0.55 0.00 0.56 -0.76 -0.31 0.00 0.00 175.10 175.14 3i48 s LEU 217 N -3.56 4.30 0.08 1.32 1.43 -0.94 -4.96 118.68 116.34 3i48 s LEU 217 Ca 0.29 1.07 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 3i48 s LEU 217 Cb 0.06 -3.37 -0.04 0.00 0.03 0.00 0.00 46.19 42.87 3i48 s LEU 217 CO 0.14 0.06 -0.14 -0.31 0.23 0.00 0.00 176.35 176.34 3i48 s TYR 218 N -1.54 2.67 0.12 0.29 2.02 -1.26 -0.54 117.35 119.10 3i48 s TYR 218 Ca 0.40 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.89 3i48 s TYR 218 Cb -0.14 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3i48 s TYR 218 CO 0.19 0.36 0.07 0.00 -1.57 0.00 0.00 175.55 174.61 3i48 s ALA 219 N -1.09 0.65 0.00 3.71 0.00 0.08 -4.92 121.76 120.20 3i48 s ALA 219 Ca 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.82 3i48 s ALA 219 Cb -0.11 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3i48 s ALA 219 CO 0.10 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.79 3i48 n GLY 220 N -0.06 -0.03 3.73 0.00 0.00 -1.26 -1.11 105.19 106.46 3i48 n GLY 220 Ca -0.08 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 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 2.16 -1.24 1.61 5.65 -1.07 -4.81 115.29 117.59 3i48 s HIS 221 Ca 0.00 1.56 0.18 0.00 0.25 0.00 0.00 55.06 57.05 3i48 s HIS 221 Cb 0.00 -3.48 0.69 0.00 -1.18 0.00 0.00 32.58 28.60 3i48 s HIS 221 CO 0.00 -2.51 1.59 0.27 -0.65 0.00 0.00 174.74 173.44 3i48 n ASN 222 N -2.36 4.51 -3.75 9.88 6.94 -1.26 -4.44 115.26 124.78 3i48 n ASN 222 Ca 0.14 -2.39 -0.12 0.00 -0.02 0.00 0.00 54.58 52.19 3i48 n ASN 222 Cb 0.50 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 37.29 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 -0.88 -0.14 -0.01 0.53 1.04 -1.26 -4.64 113.70 108.35 3i48 s SER 223 Ca 0.49 -0.16 0.10 0.00 0.48 0.00 0.00 55.95 56.86 3i48 s SER 223 Cb 0.31 0.36 -0.13 0.00 0.10 0.00 0.00 66.02 66.66 3i48 s SER 223 CO 0.24 -0.61 0.35 0.35 0.98 0.00 0.00 173.24 174.55 3i48 n THR 224 N 0.60 0.00 -3.80 2.02 -2.24 0.65 -4.83 114.28 106.67 3i48 n THR 224 Ca -0.19 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 3i48 n THR 224 Cb 0.59 0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.30 1.53 -0.36 4.78 -0.00 -0.44 -0.12 118.94 122.03 3i48 s TRP 225 Ca 0.01 -1.23 0.00 0.00 -0.00 0.00 0.00 56.10 54.88 3i48 s TRP 225 Cb 0.07 -1.27 0.13 0.00 -0.00 0.00 0.00 33.47 32.41 3i48 s TRP 225 CO 0.43 -0.69 0.20 0.34 -0.00 0.00 0.00 176.95 177.24 3i48 s ASP 226 N 1.69 3.20 0.17 5.86 2.15 -1.26 -0.89 116.67 127.58 3i48 s ASP 226 Ca -0.02 -2.18 0.13 0.00 0.43 0.00 0.00 52.55 50.92 3i48 s ASP 226 Cb -0.18 -0.54 0.67 0.00 -0.30 0.00 0.00 42.92 42.58 3i48 s ASP 226 CO -0.09 -0.32 1.41 -2.65 -0.17 0.00 0.00 175.17 173.36 3i48 n PRO 227 N 4.07 0.08 0.10 4.34 -0.02 -1.26 -1.10 135.00 141.22 3i48 n PRO 227 Ca 0.09 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 3i48 n PRO 227 Cb 0.37 -1.74 -0.01 0.00 -0.02 0.00 0.00 33.50 32.10 3i48 n PRO 227 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3i48 h GLN 228 N 0.00 0.00 0.00 -0.52 4.20 -1.91 -3.34 115.11 113.54 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 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i48 h GLN 228 CO 0.00 0.43 -0.10 -1.13 -0.67 0.00 0.00 178.83 177.36 3i48 n SER 229 N -3.11 0.49 -4.66 1.46 3.41 -0.90 -5.03 113.62 105.29 3i48 n SER 229 Ca -0.02 -0.19 -0.36 0.00 -0.26 0.00 0.00 58.87 58.04 3i48 n SER 229 Cb 0.76 0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 65.09 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 -0.57 6.08 0.31 4.04 3.84 -0.26 -4.99 114.94 123.40 3i48 s ASN 230 Ca 0.00 0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.29 3i48 s ASN 230 Cb 0.00 -2.10 0.50 0.00 -0.55 0.00 0.00 41.25 39.10 3i48 s ASN 230 CO 0.00 0.07 1.70 0.77 -2.79 0.00 0.00 177.10 176.85 3i48 h SER 231 N 7.47 0.02 -0.01 -4.21 4.64 -1.90 -0.16 113.55 119.41 3i48 h SER 231 Ca -0.38 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 3i48 h SER 231 Cb 1.17 -0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3i48 h SER 231 CO 0.66 0.53 -0.28 0.40 -0.87 0.00 0.00 176.83 177.27 3i48 h ILE 232 N 0.01 1.53 -0.91 0.95 2.04 -1.93 -2.84 117.51 116.36 3i48 h ILE 232 Ca -0.00 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 3i48 h ILE 232 Cb 0.91 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.67 3i48 h ILE 232 CO 0.07 0.53 0.57 0.00 0.00 0.00 0.00 178.15 179.32 3i48 h ALA 233 N 0.28 1.16 -0.31 1.87 0.00 -1.76 -2.38 119.26 118.11 3i48 h ALA 233 Ca -0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i48 h ALA 233 Cb 1.02 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3i48 h ALA 233 CO 0.06 0.60 0.04 -0.22 0.00 0.00 0.00 179.25 179.72 3i48 h LYS 234 N 1.25 0.14 -0.24 0.00 3.64 -1.09 -0.79 116.57 119.47 3i48 h LYS 234 Ca 0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 3i48 h LYS 234 Cb -0.08 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3i48 h LYS 234 CO -0.06 0.09 0.16 -0.92 -2.27 0.00 0.00 179.45 176.44 3i48 h TYR 235 N 0.14 0.31 -0.06 1.91 3.20 -1.29 -2.51 116.97 118.67 3i48 h TYR 235 Ca 0.14 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.80 3i48 h TYR 235 Cb 0.17 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3i48 h TYR 235 CO -0.19 0.21 -0.84 -0.91 -1.64 0.00 0.00 178.16 174.79 3i48 h ASN 236 N 0.32 0.65 -2.19 -2.11 2.35 -1.15 -3.39 115.58 110.07 3i48 h ASN 236 Ca 0.09 -0.47 -0.57 0.00 -0.55 0.00 0.00 56.30 54.80 3i48 h ASN 236 Cb -0.02 -0.19 -0.38 0.00 0.05 0.00 0.00 38.32 37.78 3i48 h ASN 236 CO -0.02 1.24 -1.02 -1.22 -1.65 0.00 0.00 177.43 174.76 3i48 n TYR 237 N -3.83 -0.77 0.06 1.19 4.01 -0.33 -4.98 117.16 112.51 3i48 n TYR 237 Ca -0.06 -3.37 0.13 0.00 -0.16 0.00 0.00 57.90 54.44 3i48 n TYR 237 Cb 0.78 0.05 0.61 0.00 -0.31 0.00 0.00 39.34 40.46 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 4.97 0.14 0.00 -0.72 0.11 -1.64 -1.23 132.00 133.63 3i48 h PRO 238 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3i48 h PRO 238 Cb 0.90 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3i48 h PRO 238 CO 0.40 0.09 -0.33 0.27 -0.21 0.00 0.00 178.00 178.22 3i48 n ASN 239 N -4.46 0.36 -4.77 -2.05 2.04 -1.26 -4.92 115.26 100.20 3i48 n ASN 239 Ca 0.05 0.07 -0.40 0.00 -0.44 0.00 0.00 54.58 53.86 3i48 n ASN 239 Cb 0.34 -0.05 -0.01 0.00 -2.53 0.00 0.00 39.78 37.54 3i48 n ASN 239 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3i48 s GLY 240 N -3.08 2.95 0.02 4.83 0.00 -0.46 -4.98 107.32 106.59 3i48 s GLY 240 Ca 0.12 1.35 -0.30 0.00 0.00 0.00 0.00 44.72 45.89 3i48 s GLY 240 CO 0.64 1.98 1.10 1.25 0.00 0.00 0.00 173.10 178.08 3i48 s LYS 241 N -2.12 4.48 0.44 2.90 2.20 -1.26 -4.52 119.74 121.86 3i48 s LYS 241 Ca 0.54 1.60 -0.26 0.00 -0.36 0.00 0.00 55.97 57.50 3i48 s LYS 241 Cb -0.41 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.40 3i48 s LYS 241 CO 0.54 -0.18 1.40 -2.30 -0.36 0.00 0.00 175.35 174.45 3i48 n PRO 242 N 4.02 2.22 -4.11 4.03 -0.02 -1.26 -4.79 135.00 135.09 3i48 n PRO 242 Ca 0.08 0.79 -0.08 0.00 -2.02 0.00 0.00 63.50 62.26 3i48 n PRO 242 Cb 0.48 -2.58 -0.10 0.00 -0.02 0.00 0.00 33.50 31.29 3i48 n PRO 242 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3i48 s GLU 243 N -2.35 0.77 -0.32 -0.52 2.02 -0.06 -5.01 118.70 113.23 3i48 s GLU 243 Ca 0.60 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.29 3i48 s GLU 243 Cb -0.47 0.23 0.08 0.00 0.10 0.00 0.00 34.13 34.08 3i48 s GLU 243 CO 0.58 -0.19 0.02 -1.58 0.02 0.00 0.00 175.26 174.11 3i48 s HIS 244 N -3.98 3.50 0.00 1.61 5.65 -1.26 -0.26 115.29 120.55 3i48 s HIS 244 Ca 0.15 -2.50 0.00 0.00 0.25 0.00 0.00 55.06 52.96 3i48 s HIS 244 Cb 0.08 -2.54 0.00 0.00 -1.18 0.00 0.00 32.58 28.93 3i48 s HIS 244 CO -0.04 -0.91 0.00 1.28 -0.65 0.00 0.00 174.74 174.42 3i48 n LEU 245 N 4.43 0.00 -4.56 8.88 4.77 -1.26 -2.54 117.00 126.71 3i48 n LEU 245 Ca -0.05 -0.21 -0.34 0.00 -0.03 0.00 0.00 56.01 55.37 3i48 n LEU 245 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3i48 n LEU 245 CO 0.24 0.00 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.14 3i48 s ASP 246 N -1.37 4.81 0.08 -1.43 1.11 -1.26 -1.07 116.67 117.54 3i48 s ASP 246 Ca 0.00 -0.04 -0.11 0.00 0.18 0.00 0.00 52.55 52.58 3i48 s ASP 246 Cb 0.00 -1.49 0.01 0.00 1.07 0.00 0.00 42.92 42.51 3i48 s ASP 246 CO 0.00 0.28 0.25 -0.31 1.18 0.00 0.00 175.17 176.57 3i48 s TYR 247 N -0.32 0.03 -0.14 4.23 2.02 -0.64 -4.96 117.35 117.57 3i48 s TYR 247 Ca 0.05 -0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 3i48 s TYR 247 Cb -0.12 0.03 0.04 0.00 -0.40 0.00 0.00 41.96 41.50 3i48 s TYR 247 CO 0.02 -0.55 -0.03 0.42 -1.57 0.00 0.00 175.55 173.85 3i48 s ILE 248 N -3.43 0.83 0.50 2.71 1.01 -1.26 -0.61 121.20 120.94 3i48 s ILE 248 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 60.65 60.33 3i48 s ILE 248 Cb 0.03 -1.02 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 3i48 s ILE 248 CO -0.09 0.15 0.20 -0.36 0.00 0.00 0.00 174.94 174.84 3i48 s PHE 249 N 1.76 1.93 0.08 3.97 0.08 0.46 -4.86 117.98 121.40 3i48 s PHE 249 Ca 0.02 -0.83 0.06 0.00 0.12 0.00 0.00 56.93 56.30 3i48 s PHE 249 Cb -0.14 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 3i48 s PHE 249 CO -0.07 -0.05 -0.16 0.95 -0.10 0.00 0.00 175.22 175.78 3i48 s THR 250 N -2.78 1.30 0.28 0.64 -4.23 -1.26 -0.67 115.64 108.92 3i48 s THR 250 Ca 0.24 -1.38 -0.30 0.00 -1.18 0.00 0.00 61.69 59.07 3i48 s THR 250 Cb 0.01 -1.22 -0.11 0.00 1.34 0.00 0.00 72.50 72.51 3i48 s THR 250 CO 0.14 -0.18 1.61 -0.62 -0.54 0.00 0.00 174.62 175.04 3i48 s ASP 251 N -1.80 6.37 0.00 3.99 2.15 -0.02 -3.41 116.67 123.95 3i48 s ASP 251 Ca 0.01 2.94 0.30 0.00 0.43 0.00 0.00 52.55 56.23 3i48 s ASP 251 Cb -0.10 -2.63 1.44 0.00 -0.30 0.00 0.00 42.92 41.33 3i48 s ASP 251 CO 0.03 -0.92 2.01 2.29 -0.17 0.00 0.00 175.17 178.41 3i48 n LYS 252 N 2.39 0.33 -0.25 4.34 2.85 0.84 -2.56 118.16 126.10 3i48 n LYS 252 Ca 0.09 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.44 3i48 n LYS 252 Cb 0.37 -1.50 0.23 0.00 -0.65 0.00 0.00 35.03 33.48 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 -1.33 3.37 -4.49 -5.58 8.00 -1.26 -4.96 116.55 110.30 3i48 n ASP 253 Ca 0.12 -1.98 -0.24 0.00 0.71 0.00 0.00 54.79 53.41 3i48 n ASP 253 Cb 0.26 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.04 2.22 0.01 1.24 3.76 -1.06 -4.72 115.29 115.70 3i48 s HIS 254 Ca 0.35 -0.55 -0.39 0.00 -0.15 0.00 0.00 55.06 54.32 3i48 s HIS 254 Cb 0.19 -1.24 -0.19 0.00 1.11 0.00 0.00 32.58 32.44 3i48 s HIS 254 CO 0.25 0.49 1.02 1.17 -0.85 0.00 0.00 174.74 176.82 3i48 n LYS 255 N -0.70 0.00 -3.72 1.40 4.81 0.86 -4.87 118.16 115.94 3i48 n LYS 255 Ca -0.05 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.05 3i48 n LYS 255 Cb 0.63 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 34.18 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 -0.05 3.61 0.98 1.64 -1.52 -1.26 -4.11 119.66 118.95 3i48 s GLN 256 Ca 0.88 -0.07 -0.11 0.00 -1.95 0.00 0.00 55.36 54.11 3i48 s GLN 256 Cb -1.23 -3.00 0.15 0.00 -0.22 0.00 0.00 33.01 28.71 3i48 s GLN 256 CO 0.56 0.58 0.93 -2.30 -0.25 0.00 0.00 175.29 174.81 3i48 n PRO 257 N 0.73 -0.87 -0.14 2.91 -0.02 -1.26 -4.92 135.00 131.43 3i48 n PRO 257 Ca -0.08 -0.20 -0.04 0.00 -2.02 0.00 0.00 63.50 61.16 3i48 n PRO 257 Cb 0.52 -2.21 0.02 0.00 -0.02 0.00 0.00 33.50 31.82 3i48 n PRO 257 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3i48 h LYS 258 N -2.00 -0.05 -0.72 -0.52 3.64 -1.97 -3.40 116.57 111.56 3i48 h LYS 258 Ca -0.47 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3i48 h LYS 258 Cb 1.29 0.01 -0.18 0.00 -0.41 0.00 0.00 32.23 32.94 3i48 h LYS 258 CO 0.41 -0.03 -0.34 -1.14 -2.27 0.00 0.00 179.45 176.08 3i48 s GLN 259 N -6.19 0.64 0.16 1.90 2.00 -1.26 -5.10 119.66 111.81 3i48 s GLN 259 Ca -0.14 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 52.58 3i48 s GLN 259 Cb 0.15 0.04 -0.08 0.00 0.80 0.00 0.00 33.01 33.93 3i48 s GLN 259 CO 0.71 -0.88 1.30 -1.17 -0.50 0.00 0.00 175.29 174.75 3i48 s LEU 260 N 1.64 4.40 0.07 3.68 2.96 -1.26 -4.25 118.68 125.92 3i48 s LEU 260 Ca 0.19 2.31 0.08 0.00 -0.22 0.00 0.00 54.13 56.49 3i48 s LEU 260 Cb 0.00 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.06 3i48 s LEU 260 CO -0.09 -0.53 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.54 3i48 s VAL 261 N 0.44 2.81 -0.24 1.68 1.01 0.44 -2.22 120.40 124.31 3i48 s VAL 261 Ca 0.58 -1.30 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3i48 s VAL 261 Cb -0.35 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3i48 s VAL 261 CO 0.35 0.26 -0.06 0.20 0.00 0.00 0.00 175.10 175.85 3i48 s ASN 262 N -1.68 4.31 -0.22 3.32 -0.87 0.30 -2.63 114.94 117.47 3i48 s ASN 262 Ca 0.16 -0.81 -0.08 0.00 -1.57 0.00 0.00 52.86 50.56 3i48 s ASN 262 Cb -0.11 -1.68 -0.04 0.00 -0.02 0.00 0.00 41.25 39.41 3i48 s ASN 262 CO 0.07 -0.11 0.09 -0.70 -2.57 0.00 0.00 177.10 173.87 3i48 s GLU 263 N 1.35 3.89 -0.25 -0.60 2.12 0.12 -0.74 118.70 124.60 3i48 s GLU 263 Ca 0.01 -0.37 -0.22 0.00 0.36 0.00 0.00 54.97 54.75 3i48 s GLU 263 Cb -0.16 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 30.89 3i48 s GLU 263 CO -0.04 0.08 0.69 0.08 -0.54 0.00 0.00 175.26 175.52 3i48 s VAL 264 N 0.93 4.94 -0.11 3.70 1.01 -0.27 -0.49 120.40 130.12 3i48 s VAL 264 Ca 0.05 1.27 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 3i48 s VAL 264 Cb -0.14 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3i48 s VAL 264 CO 0.03 0.00 0.36 -0.69 0.00 0.00 0.00 175.10 174.80 3i48 s VAL 265 N 2.58 5.22 -0.25 2.92 1.01 -0.49 -2.60 120.40 128.79 3i48 s VAL 265 Ca 0.29 0.71 0.11 0.00 0.00 0.00 0.00 61.98 63.09 3i48 s VAL 265 Cb -0.15 -3.69 0.46 0.00 0.00 0.00 0.00 36.38 33.00 3i48 s VAL 265 CO 0.08 0.42 1.36 0.35 0.00 0.00 0.00 175.10 177.32 3i48 n THR 266 N 3.15 2.38 -1.78 3.92 -2.24 -1.26 -3.93 114.28 114.51 3i48 n THR 266 Ca -0.11 -2.81 -0.40 0.00 -2.27 0.00 0.00 64.05 58.45 3i48 n THR 266 Cb 0.52 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 3i48 n THR 266 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3i48 s GLU 267 N -3.19 3.88 0.05 -0.78 2.12 -1.26 -5.02 118.70 114.50 3i48 s GLU 267 Ca 0.41 2.52 0.07 0.00 0.36 0.00 0.00 54.97 58.33 3i48 s GLU 267 Cb 0.38 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.94 3i48 s GLU 267 CO -0.02 -0.70 -0.20 0.15 -0.54 0.00 0.00 175.26 173.96 3i48 s LYS 268 N -2.29 1.29 0.79 4.30 1.02 -1.26 -4.76 119.74 118.82 3i48 s LYS 268 Ca 0.57 -0.94 -0.12 0.00 0.02 0.00 0.00 55.97 55.51 3i48 s LYS 268 Cb -0.46 -1.41 0.06 0.00 -0.52 0.00 0.00 37.83 35.51 3i48 s LYS 268 CO 0.60 0.35 1.13 -1.25 -0.92 0.00 0.00 175.35 175.26 3i48 s PRO 269 N -1.25 2.17 0.53 -1.68 0.04 -1.26 -5.02 135.00 128.54 3i48 s PRO 269 Ca 0.06 0.38 -0.22 0.00 0.04 0.00 0.00 61.00 61.27 3i48 s PRO 269 Cb -0.09 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 3i48 s PRO 269 CO 0.02 -1.50 1.19 0.36 0.04 0.00 0.00 177.00 177.10 3i48 n LYS 270 N -3.31 1.44 -1.64 4.56 2.85 -1.26 -4.71 118.16 116.09 3i48 n LYS 270 Ca 0.07 0.53 -0.41 0.00 -1.05 0.00 0.00 58.31 57.45 3i48 n LYS 270 Cb 0.58 -2.36 0.01 0.00 -0.65 0.00 0.00 35.03 32.62 3i48 n LYS 270 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3i48 n PRO 271 N -0.73 1.50 -4.08 -1.58 -0.02 -1.26 -4.84 135.00 123.99 3i48 n PRO 271 Ca 0.11 0.54 -0.11 0.00 -2.02 0.00 0.00 63.50 62.02 3i48 n PRO 271 Cb 0.44 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.26 0.64 0.25 6.00 1.48 -0.03 -4.97 118.94 121.05 3i48 s TRP 272 Ca 0.63 -0.68 0.09 0.00 -1.06 0.00 0.00 56.10 55.08 3i48 s TRP 272 Cb -0.53 -0.39 -0.05 0.00 -1.16 0.00 0.00 33.47 31.33 3i48 s TRP 272 CO 0.56 -0.15 -0.13 0.16 -4.06 0.00 0.00 176.95 173.33 3i48 s ASP 273 N -2.10 2.96 -0.17 -2.66 1.47 -1.26 -0.73 116.67 114.18 3i48 s ASP 273 Ca -0.03 -1.08 0.00 0.00 1.18 0.00 0.00 52.55 52.62 3i48 s ASP 273 Cb -0.04 -0.20 0.03 0.00 -0.34 0.00 0.00 42.92 42.37 3i48 s ASP 273 CO -0.02 -0.16 -0.10 0.54 0.68 0.00 0.00 175.17 176.10 3i48 s VAL 274 N -2.84 1.49 -1.18 2.11 0.11 -0.07 -4.93 120.40 115.08 3i48 s VAL 274 Ca 0.27 -0.78 -0.10 0.00 -2.93 0.00 0.00 61.98 58.44 3i48 s VAL 274 Cb -0.00 -1.52 0.22 0.00 -1.53 0.00 0.00 36.38 33.55 3i48 s VAL 274 CO 0.11 0.26 1.45 -1.22 -3.33 0.00 0.00 175.10 172.37 3i48 n TYR 275 N 4.76 4.19 -2.52 1.54 4.02 -1.26 -1.67 117.16 126.22 3i48 n TYR 275 Ca -0.15 -3.26 -0.35 0.00 -0.01 0.00 0.00 57.90 54.13 3i48 n TYR 275 Cb 0.48 -1.85 -0.03 0.00 -0.02 0.00 0.00 39.34 37.91 3i48 n TYR 275 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i48 s ALA 276 N -0.19 2.96 0.23 -0.72 0.00 -1.00 -4.95 121.76 118.08 3i48 s ALA 276 Ca 0.37 0.67 -0.07 0.00 0.00 0.00 0.00 51.96 52.93 3i48 s ALA 276 Cb -0.01 -3.27 0.31 0.00 0.00 0.00 0.00 23.12 20.16 3i48 s ALA 276 CO -0.00 -0.30 1.80 0.00 0.00 0.00 0.00 175.76 177.26 3i48 h ALA 277 N 1.95 1.01 0.41 0.00 0.00 -2.04 -3.13 119.26 117.47 3i48 h ALA 277 Ca -0.49 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 3i48 h ALA 277 Cb 1.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i48 h ALA 277 CO 0.60 0.06 -0.20 0.00 0.00 0.00 0.00 179.25 179.71 3i48 h ALA 278 N 1.40 -0.86 -2.97 0.00 0.00 -2.01 -3.47 119.26 111.36 3i48 h ALA 278 Ca 0.34 -0.12 -0.45 0.00 0.00 0.00 0.00 54.91 54.69 3i48 h ALA 278 Cb 0.28 0.22 -0.19 0.00 0.00 0.00 0.00 17.79 18.10 3i48 h ALA 278 CO -0.22 -0.82 -0.77 0.71 0.00 0.00 0.00 179.25 178.15 3i48 s TYR 279 N -3.73 1.50 -0.16 0.00 2.02 -1.18 -5.14 117.35 110.66 3i48 s TYR 279 Ca -0.08 -0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 56.01 3i48 s TYR 279 Cb 0.01 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 3i48 s TYR 279 CO 0.24 0.18 0.14 -0.47 -1.57 0.00 0.00 175.55 174.07 3i48 s TYR 280 N -2.02 3.51 0.01 2.71 5.04 -1.26 -2.37 117.35 122.97 3i48 s TYR 280 Ca 0.10 0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 55.15 3i48 s TYR 280 Cb -0.06 -2.04 -0.01 0.00 0.35 0.00 0.00 41.96 40.20 3i48 s TYR 280 CO 0.04 0.53 0.02 0.71 -1.34 0.00 0.00 175.55 175.51 3i48 s TYR 281 N -0.40 0.16 -0.04 4.97 2.02 -0.67 -5.02 117.35 118.37 3i48 s TYR 281 Ca 0.12 -0.34 0.07 0.00 -0.37 0.00 0.00 57.07 56.54 3i48 s TYR 281 Cb -0.12 -0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.30 3i48 s TYR 281 CO 0.01 -0.19 -0.24 0.08 -1.57 0.00 0.00 175.55 173.64 3i48 s VAL 282 N -1.23 1.94 0.24 0.71 1.01 -1.26 -0.90 120.40 120.91 3i48 s VAL 282 Ca -0.13 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 60.86 3i48 s VAL 282 Cb -0.08 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3i48 s VAL 282 CO -0.00 0.54 0.00 -0.31 0.00 0.00 0.00 175.10 175.33 3i48 s TYR 283 N -0.31 1.60 -0.31 5.22 2.02 0.09 -4.97 117.35 120.70 3i48 s TYR 283 Ca 0.02 -0.93 0.18 0.00 -0.37 0.00 0.00 57.07 55.97 3i48 s TYR 283 Cb -0.12 -0.94 0.46 0.00 -0.40 0.00 0.00 41.96 40.96 3i48 s TYR 283 CO 0.02 -0.04 1.17 0.27 -1.57 0.00 0.00 175.55 175.40 3i48 n ASN 284 N -0.45 0.50 -4.18 2.29 6.94 -1.26 -0.85 115.26 118.26 3i48 n ASN 284 Ca -0.05 -2.35 -0.12 0.00 -0.02 0.00 0.00 54.58 52.05 3i48 n ASN 284 Cb 0.64 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 37.88 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 -2.75 1.29 0.29 0.53 1.11 -1.26 -4.01 116.67 111.87 3i48 s ASP 285 Ca 0.23 -0.94 0.15 0.00 0.18 0.00 0.00 52.55 52.18 3i48 s ASP 285 Cb 0.40 0.06 0.19 0.00 1.07 0.00 0.00 42.92 44.63 3i48 s ASP 285 CO -0.04 -0.39 1.50 -0.26 1.18 0.00 0.00 175.17 177.16 3i48 h PHE 286 N 3.15 0.00 -2.07 4.23 0.04 -1.89 -3.46 116.94 116.93 3i48 h PHE 286 Ca -0.36 0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.62 3i48 h PHE 286 Cb 1.18 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.22 3i48 h PHE 286 CO 0.61 0.50 0.58 0.45 -0.60 0.00 0.00 178.31 179.86 3i48 s SER 287 N -6.46 -0.17 0.12 2.17 0.15 -1.26 -4.85 113.70 103.39 3i48 s SER 287 Ca 0.03 -0.27 0.26 0.00 0.70 0.00 0.00 55.95 56.67 3i48 s SER 287 Cb 0.08 0.38 0.97 0.00 -1.71 0.00 0.00 66.02 65.74 3i48 s SER 287 CO 0.74 -0.69 1.80 -0.90 1.20 0.00 0.00 173.24 175.38 3i48 n ASP 288 N -0.43 0.43 -4.87 5.45 5.75 -1.26 -4.73 116.55 116.89 3i48 n ASP 288 Ca -0.07 0.55 -0.27 0.00 -0.01 0.00 0.00 54.79 55.00 3i48 n ASP 288 Cb 0.61 -0.66 -0.04 0.00 -1.03 0.00 0.00 41.12 40.00 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 -3.08 3.33 0.18 2.11 3.76 -1.26 -4.31 115.29 116.02 3i48 s HIS 289 Ca 0.11 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.98 3i48 s HIS 289 Cb 0.14 -1.61 -0.07 0.00 1.11 0.00 0.00 32.58 32.15 3i48 s HIS 289 CO 0.52 0.52 0.52 0.71 -0.85 0.00 0.00 174.74 176.16 3i48 s TYR 290 N -1.70 3.50 0.74 1.40 2.02 0.83 -4.87 117.35 119.27 3i48 s TYR 290 Ca 0.33 0.89 -0.11 0.00 -0.37 0.00 0.00 57.07 57.81 3i48 s TYR 290 Cb -0.11 -2.26 0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3i48 s TYR 290 CO 0.26 0.36 1.08 -1.25 -1.57 0.00 0.00 175.55 174.43 3i48 s PRO 291 N -2.44 2.55 -0.07 -1.71 0.04 -1.25 -4.79 135.00 127.32 3i48 s PRO 291 Ca 0.42 1.08 0.02 0.00 0.04 0.00 0.00 61.00 62.56 3i48 s PRO 291 Cb -0.13 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3i48 s PRO 291 CO 0.20 -1.41 -0.12 0.42 0.04 0.00 0.00 177.00 176.13 3i48 s ILE 292 N -2.96 3.23 -0.15 0.56 -1.09 -0.29 -1.40 121.20 119.10 3i48 s ILE 292 Ca 0.60 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 58.33 3i48 s ILE 292 Cb -0.16 -2.30 -0.03 0.00 -1.58 0.00 0.00 42.46 38.39 3i48 s ILE 292 CO 0.55 0.58 -0.03 -0.75 -1.23 0.00 0.00 174.94 174.06 3i48 s LYS 293 N -0.51 3.64 0.02 2.79 2.20 0.36 -1.43 119.74 126.80 3i48 s LYS 293 Ca 0.07 -0.50 0.09 0.00 -0.36 0.00 0.00 55.97 55.27 3i48 s LYS 293 Cb -0.12 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 3i48 s LYS 293 CO 0.02 0.28 -0.26 0.00 -0.36 0.00 0.00 175.35 175.03 3i48 s ALA 294 N 0.26 2.18 0.03 3.13 0.00 0.90 0.16 121.76 128.42 3i48 s ALA 294 Ca -0.02 -1.20 -0.29 0.00 0.00 0.00 0.00 51.96 50.45 3i48 s ALA 294 Cb -0.14 -0.50 0.10 0.00 0.00 0.00 0.00 23.12 22.59 3i48 s ALA 294 CO 0.03 0.52 1.20 1.52 0.00 0.00 0.00 175.76 179.03 3i48 s TYR 295 N -0.72 -0.05 -0.06 0.00 1.13 -1.08 -0.73 117.35 115.84 3i48 s TYR 295 Ca 0.11 -0.11 0.03 0.00 -1.41 0.00 0.00 57.07 55.69 3i48 s TYR 295 Cb -0.10 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 3i48 s TYR 295 CO 0.01 -0.43 -0.13 -1.12 -2.51 0.00 0.00 175.55 171.37 3i48 s SER 296 N -3.05 4.11 0.00 -0.18 0.01 -1.26 -0.42 113.70 112.92 3i48 s SER 296 Ca 0.15 -0.18 0.28 0.00 1.31 0.00 0.00 55.95 57.51 3i48 s SER 296 Cb 0.03 -0.95 1.13 0.00 0.21 0.00 0.00 66.02 66.44 3i48 s SER 296 CO -0.02 0.33 1.79 0.29 0.41 0.00 0.00 173.24 176.05