#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j8a s VAL 17 N 0.00 5.04 -0.72 1.39 1.01 0.64 -3.99 120.40 123.77 1j8a s VAL 17 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1j8a s VAL 17 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1j8a s VAL 17 CO 0.00 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1j8a n GLY 18 N 3.32 0.89 0.00 4.51 0.00 -1.24 -1.46 105.19 111.22 1j8a n GLY 18 Ca -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1j8a n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j8a n GLY 19 N -2.14 1.91 3.16 -0.02 0.00 -1.26 -4.85 105.19 101.99 1j8a n GLY 19 Ca -0.07 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.94 1j8a n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j8a s TYR 20 N 2.78 0.50 -0.11 1.61 1.13 0.66 -4.94 117.35 118.99 1j8a s TYR 20 Ca 0.00 -0.96 -0.29 0.00 -1.41 0.00 0.00 57.07 54.40 1j8a s TYR 20 Cb 0.00 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.53 1j8a s TYR 20 CO 0.00 -0.49 1.50 0.99 -2.51 0.00 0.00 175.55 175.04 1j8a s THR 21 N -3.94 3.86 0.20 -3.49 2.01 -1.26 -0.07 115.64 112.95 1j8a s THR 21 Ca 0.12 1.04 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 1j8a s THR 21 Cb 0.07 -3.68 0.12 0.00 0.01 0.00 0.00 72.50 69.01 1j8a s THR 21 CO -0.06 -0.11 1.86 0.00 -0.69 0.00 0.00 174.62 175.62 1j8a n GLY 23 N -1.27 2.87 3.68 0.00 0.00 -1.26 -4.83 105.19 104.38 1j8a n GLY 23 Ca 0.06 -1.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 1j8a n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8a n ALA 24 N 0.82 1.80 -2.04 4.61 0.00 -1.26 -2.48 120.51 121.96 1j8a n ALA 24 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.54 1j8a n ALA 24 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 16.84 1j8a n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1j8a n ASN 25 N 5.89 -5.68 -0.07 0.00 4.13 -1.26 -4.86 115.26 113.41 1j8a n ASN 25 Ca 0.19 0.23 0.14 0.00 1.68 0.00 0.00 54.58 56.81 1j8a n ASN 25 Cb 0.36 -4.86 0.51 0.00 -1.54 0.00 0.00 39.78 34.25 1j8a n ASN 25 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1j8a n THR 26 N -3.25 0.00 -3.52 3.41 -2.24 -1.03 -4.01 114.28 103.63 1j8a n THR 26 Ca -0.23 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.25 1j8a n THR 26 Cb 0.68 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 1j8a n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1j8a n VAL 27 N -1.20 0.83 0.25 2.28 0.31 -1.26 -4.99 118.33 114.55 1j8a n VAL 27 Ca 0.10 -4.52 0.17 0.00 -0.01 0.00 0.00 64.34 60.09 1j8a n VAL 27 Cb 0.31 -2.01 0.90 0.00 -0.91 0.00 0.00 33.84 32.13 1j8a n VAL 27 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1j8a h PRO 28 N 4.82 0.00 -0.01 5.55 0.13 -1.79 -1.49 132.00 139.22 1j8a h PRO 28 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1j8a h PRO 28 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1j8a h PRO 28 CO 0.63 0.00 -0.41 2.48 -0.23 0.00 0.00 178.00 180.47 1j8a n TYR 29 N -2.66 0.00 -2.48 1.56 0.18 -1.14 -1.89 117.16 110.73 1j8a n TYR 29 Ca -0.02 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.34 1j8a n TYR 29 Cb 0.05 -0.11 -0.03 0.00 -0.38 0.00 0.00 39.34 38.87 1j8a n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1j8a s GLN 30 N -2.63 4.40 0.18 -3.48 2.00 -0.56 -1.02 119.66 118.55 1j8a s GLN 30 Ca 0.19 1.67 0.10 0.00 -2.00 0.00 0.00 55.36 55.33 1j8a s GLN 30 Cb 0.18 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.47 1j8a s GLN 30 CO 0.59 -0.34 -0.22 0.14 -0.50 0.00 0.00 175.29 174.96 1j8a s VAL 31 N 1.72 2.17 -0.15 1.34 -7.23 -0.35 -4.48 120.40 113.42 1j8a s VAL 31 Ca 0.56 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1j8a s VAL 31 Cb -0.26 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1j8a s VAL 31 CO 0.25 -0.18 -0.08 -0.55 -0.31 0.00 0.00 175.10 174.23 1j8a s SER 32 N -2.66 4.42 -0.16 4.85 0.15 -0.57 -1.75 113.70 117.98 1j8a s SER 32 Ca 0.19 -0.23 -0.17 0.00 0.70 0.00 0.00 55.95 56.44 1j8a s SER 32 Cb -0.07 -1.70 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1j8a s SER 32 CO 0.09 0.16 0.45 -0.76 1.20 0.00 0.00 173.24 174.38 1j8a s LEU 33 N 0.38 4.21 -0.07 3.45 1.43 0.34 -0.69 118.68 127.73 1j8a s LEU 33 Ca -0.07 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.75 1j8a s LEU 33 Cb -0.15 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1j8a s LEU 33 CO 0.04 -0.06 -0.18 0.21 0.23 0.00 0.00 176.35 176.59 1j8a s ASN 34 N 0.85 2.36 -0.35 2.29 3.84 -0.01 -1.03 114.94 122.89 1j8a s ASN 34 Ca 0.23 -0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.03 1j8a s ASN 34 Cb -0.15 -0.92 0.45 0.00 -0.55 0.00 0.00 41.25 40.09 1j8a s ASN 34 CO 0.09 0.12 1.04 -1.54 -2.79 0.00 0.00 177.10 174.02 1j8a n SER 37 N 3.45 2.75 0.00 -4.21 3.41 -1.26 -0.70 113.62 117.06 1j8a n SER 37 Ca -0.20 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.39 1j8a n SER 37 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1j8a n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j8a n GLY 38 N -0.31 0.59 3.54 5.00 0.00 -1.26 -5.02 105.19 107.73 1j8a n GLY 38 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 1j8a n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1j8a s TYR 39 N -2.04 -0.31 0.23 1.61 1.13 -1.26 -5.14 117.35 111.57 1j8a s TYR 39 Ca 0.00 0.29 -0.30 0.00 -1.41 0.00 0.00 57.07 55.65 1j8a s TYR 39 Cb 0.00 0.51 -0.10 0.00 -1.10 0.00 0.00 41.96 41.27 1j8a s TYR 39 CO 0.00 -0.42 1.43 -1.58 -2.51 0.00 0.00 175.55 172.47 1j8a s HIS 40 N -2.47 3.07 0.00 -3.49 5.65 -1.26 -4.23 115.29 112.57 1j8a s HIS 40 Ca 0.04 1.02 0.00 0.00 0.25 0.00 0.00 55.06 56.37 1j8a s HIS 40 Cb -0.01 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.60 1j8a s HIS 40 CO -0.06 -2.60 0.00 1.97 -0.65 0.00 0.00 174.74 173.41 1j8a n PHE 41 N 2.60 0.00 -3.49 3.88 -1.74 -0.20 -4.95 117.46 113.55 1j8a n PHE 41 Ca 0.07 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.87 1j8a n PHE 41 Cb 0.41 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.39 1j8a n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1j8a s GLY 43 N -2.66 1.73 0.14 0.00 0.00 0.60 -0.51 107.32 106.63 1j8a s GLY 43 Ca 0.04 -1.98 -0.25 0.00 0.00 0.00 0.00 44.72 42.52 1j8a s GLY 43 CO -0.10 -1.42 1.03 -0.32 0.00 0.00 0.00 173.10 172.29 1j8a s GLY 44 N -4.75 -0.17 -0.06 0.20 0.00 -0.72 -3.70 107.32 98.12 1j8a s GLY 44 Ca 0.65 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.48 1j8a s GLY 44 CO 0.43 0.63 -0.11 -0.56 0.00 0.00 0.00 173.10 173.49 1j8a s SER 45 N -3.07 1.63 -0.13 1.64 0.01 -0.27 -1.21 113.70 112.31 1j8a s SER 45 Ca 0.15 -0.27 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1j8a s SER 45 Cb -0.01 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.45 1j8a s SER 45 CO 0.02 0.02 1.08 -0.22 0.41 0.00 0.00 173.24 174.55 1j8a s LEU 46 N 0.70 4.21 -0.01 2.44 2.96 -0.19 -0.76 118.68 128.04 1j8a s LEU 46 Ca -0.14 1.57 0.11 0.00 -0.22 0.00 0.00 54.13 55.45 1j8a s LEU 46 Cb -0.16 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 1j8a s LEU 46 CO 0.03 -0.56 0.41 2.30 -1.32 0.00 0.00 176.35 177.21 1j8a n ILE 47 N 4.84 0.00 -3.85 6.68 -5.35 -0.29 -1.05 119.36 120.33 1j8a n ILE 47 Ca 0.11 -0.24 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 1j8a n ILE 47 Cb 0.47 0.75 0.02 0.00 -1.74 0.00 0.00 39.64 39.15 1j8a n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1j8a n ASN 48 N -1.48 -1.94 0.22 7.28 0.23 -1.19 -4.59 115.26 113.79 1j8a n ASN 48 Ca 0.01 -2.16 0.15 0.00 -0.53 0.00 0.00 54.58 52.05 1j8a n ASN 48 Cb 0.22 3.18 0.78 0.00 -2.08 0.00 0.00 39.78 41.88 1j8a n ASN 48 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1j8a h SER 49 N 1.95 0.00 -0.00 0.53 4.64 -1.97 -3.11 113.55 115.60 1j8a h SER 49 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1j8a h SER 49 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1j8a h SER 49 CO 0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.31 1j8a n GLN 50 N -2.59 3.45 -4.39 4.77 6.02 -1.26 -0.25 117.38 123.12 1j8a n GLN 50 Ca -0.01 -0.25 -0.19 0.00 -0.01 0.00 0.00 57.00 56.54 1j8a n GLN 50 Cb 0.10 -0.76 -0.14 0.00 1.02 0.00 0.00 30.24 30.47 1j8a n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1j8a s TRP 51 N -0.68 0.99 -0.02 1.08 0.52 -1.18 -0.46 118.94 119.20 1j8a s TRP 51 Ca 0.01 -0.25 0.06 0.00 0.02 0.00 0.00 56.10 55.94 1j8a s TRP 51 Cb 0.01 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.70 1j8a s TRP 51 CO 0.03 -0.01 -0.21 0.08 0.02 0.00 0.00 176.95 176.87 1j8a s VAL 52 N -0.50 1.65 -0.09 4.03 1.01 -0.10 -1.14 120.40 125.27 1j8a s VAL 52 Ca 0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1j8a s VAL 52 Cb -0.05 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1j8a s VAL 52 CO 0.00 0.47 -0.09 0.54 0.00 0.00 0.00 175.10 176.02 1j8a s VAL 53 N -0.44 3.50 0.00 2.92 0.11 0.06 -0.64 120.40 125.92 1j8a s VAL 53 Ca 0.07 -0.54 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1j8a s VAL 53 Cb -0.09 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.32 1j8a s VAL 53 CO -0.00 0.57 0.00 -0.24 -3.33 0.00 0.00 175.10 172.09 1j8a n SER 54 N 2.65 0.00 -4.82 3.54 2.88 0.17 -1.11 113.62 116.94 1j8a n SER 54 Ca -0.18 -0.80 -0.38 0.00 -1.33 0.00 0.00 58.87 56.18 1j8a n SER 54 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1j8a n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j8a s ALA 55 N -1.82 3.64 0.48 -1.46 0.00 -1.26 -0.99 121.76 120.34 1j8a s ALA 55 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 51.96 51.98 1j8a s ALA 55 Cb 0.00 -2.50 1.13 0.00 0.00 0.00 0.00 23.12 21.75 1j8a s ALA 55 CO 0.00 0.42 2.09 0.00 0.00 0.00 0.00 175.76 178.27 1j8a h ALA 56 N 4.75 1.96 0.00 0.00 0.00 -1.67 -1.15 119.26 123.14 1j8a h ALA 56 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j8a h ALA 56 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1j8a h ALA 56 CO 0.63 0.01 0.00 -2.39 0.00 0.00 0.00 179.25 177.50 1j8a n HIS 57 N -4.50 0.00 1.35 0.00 1.44 -1.26 -1.29 115.22 110.97 1j8a n HIS 57 Ca 0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.86 1j8a n HIS 57 Cb 0.16 -0.27 0.42 0.00 0.12 0.00 0.00 29.99 30.42 1j8a n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j8a n TYR 59 N -0.02 2.53 -3.52 0.00 9.36 -0.41 -4.99 117.16 120.12 1j8a n TYR 59 Ca 0.16 0.43 -0.08 0.00 3.32 0.00 0.00 57.90 61.73 1j8a n TYR 59 Cb 0.38 -2.49 -0.02 0.00 -0.63 0.00 0.00 39.34 36.58 1j8a n TYR 59 CO 0.00 0.00 0.00 -1.59 0.22 0.00 0.00 176.86 175.49 1j8a s LYS 60 N -1.26 0.80 0.56 2.98 -2.85 -1.26 -5.14 119.74 113.56 1j8a s LYS 60 Ca 0.60 -0.30 -0.05 0.00 -1.00 0.00 0.00 55.97 55.22 1j8a s LYS 60 Cb -0.55 0.36 -0.00 0.00 -2.06 0.00 0.00 37.83 35.58 1j8a s LYS 60 CO 0.56 -0.35 0.86 -1.54 0.10 0.00 0.00 175.35 174.98 1j8a s SER 61 N -2.48 5.74 -0.60 0.03 1.04 -1.26 -4.43 113.70 111.74 1j8a s SER 61 Ca 0.05 0.71 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 1j8a s SER 61 Cb -0.01 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.33 1j8a s SER 61 CO -0.08 -0.94 0.42 0.61 0.98 0.00 0.00 173.24 174.23 1j8a n GLY 62 N -2.47 0.27 3.76 7.32 0.00 -1.26 -5.01 105.19 107.80 1j8a n GLY 62 Ca 0.03 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1j8a n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j8a s ILE 63 N -3.03 4.78 -0.16 -0.61 1.01 -1.26 -4.59 121.20 117.34 1j8a s ILE 63 Ca 0.21 1.46 -0.01 0.00 0.00 0.00 0.00 60.65 62.31 1j8a s ILE 63 Cb -0.09 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 1j8a s ILE 63 CO 0.26 0.40 -0.11 -1.58 0.00 0.00 0.00 174.94 173.91 1j8a s GLN 64 N -0.21 3.36 -0.12 2.79 0.74 0.12 -1.15 119.66 125.19 1j8a s GLN 64 Ca 0.35 -0.68 -0.21 0.00 0.05 0.00 0.00 55.36 54.87 1j8a s GLN 64 Cb -0.20 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.14 1j8a s GLN 64 CO 0.21 0.07 0.61 0.08 -0.55 0.00 0.00 175.29 175.70 1j8a s VAL 65 N 0.73 5.09 -0.29 1.34 1.01 0.42 -0.83 120.40 127.87 1j8a s VAL 65 Ca -0.05 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 1j8a s VAL 65 Cb -0.15 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1j8a s VAL 65 CO 0.02 0.24 0.00 -0.13 0.00 0.00 0.00 175.10 175.23 1j8a s ARG 65 N 1.02 2.65 0.25 2.72 0.52 0.13 -1.01 118.95 125.23 1j8a s ARG 65 Ca 0.31 -1.13 0.06 0.00 -0.52 0.00 0.00 55.73 54.46 1j8a s ARG 65 Cb -0.16 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.09 1j8a s ARG 65 CO 0.14 -0.54 0.25 -0.51 0.02 0.00 0.00 175.30 174.66 1j8a s LEU 66 N 1.32 3.96 -1.34 2.53 1.02 0.11 -1.51 118.68 124.77 1j8a s LEU 66 Ca -0.02 -0.16 0.00 0.00 0.02 0.00 0.00 54.13 53.96 1j8a s LEU 66 Cb -0.19 -2.50 0.00 0.00 0.02 0.00 0.00 46.19 43.52 1j8a s LEU 66 CO -0.01 -0.07 0.00 0.61 0.02 0.00 0.00 176.35 176.90 1j8a n GLY 69 N -1.26 1.00 3.81 -3.19 0.00 -1.26 -1.23 105.19 103.06 1j8a n GLY 69 Ca -0.08 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1j8a n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j8a s GLU 70 N -3.51 4.28 0.00 1.61 0.41 -1.26 -3.79 118.70 116.44 1j8a s GLU 70 Ca 0.00 0.86 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 1j8a s GLU 70 Cb 0.00 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 1j8a s GLU 70 CO 0.00 0.50 0.00 -3.47 -0.49 0.00 0.00 175.26 171.80 1j8a n ASP 71 N 1.14 0.00 -4.63 -0.19 2.03 -1.26 -4.53 116.55 109.10 1j8a n ASP 71 Ca -0.05 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.83 1j8a n ASP 71 Cb 0.51 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.88 1j8a n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1j8a s ASN 72 N 1.00 6.77 0.00 1.67 3.84 -1.26 -3.41 114.94 123.55 1j8a s ASN 72 Ca 0.00 1.10 0.24 0.00 0.21 0.00 0.00 52.86 54.41 1j8a s ASN 72 Cb 0.00 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.41 1j8a s ASN 72 CO 0.00 -1.01 1.78 2.30 -2.79 0.00 0.00 177.10 177.38 1j8a n ILE 73 N 6.12 0.19 0.27 -5.21 -5.35 -0.23 -2.87 119.36 112.28 1j8a n ILE 73 Ca 0.13 0.05 0.06 0.00 -0.27 0.00 0.00 62.75 62.73 1j8a n ILE 73 Cb 0.47 -0.66 0.10 0.00 -1.74 0.00 0.00 39.64 37.80 1j8a n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1j8a n ASN 74 N -1.21 2.41 -3.90 7.28 3.02 -1.26 -4.96 115.26 116.64 1j8a n ASN 74 Ca 0.13 -1.69 -0.17 0.00 -0.03 0.00 0.00 54.58 52.82 1j8a n ASN 74 Cb 0.16 -0.09 -0.15 0.00 -0.61 0.00 0.00 39.78 39.08 1j8a n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j8a s VAL 75 N -1.04 0.34 -0.40 2.41 1.01 -1.14 -5.10 120.40 116.49 1j8a s VAL 75 Ca 0.19 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.80 1j8a s VAL 75 Cb 0.12 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1j8a s VAL 75 CO 0.17 0.14 1.00 -0.69 0.00 0.00 0.00 175.10 175.72 1j8a s VAL 76 N 0.46 4.47 -0.69 2.92 1.01 -1.26 -4.68 120.40 122.63 1j8a s VAL 76 Ca -0.05 1.21 0.18 0.00 0.00 0.00 0.00 61.98 63.32 1j8a s VAL 76 Cb -0.08 -4.43 -0.21 0.00 0.00 0.00 0.00 36.38 31.66 1j8a s VAL 76 CO -0.01 -0.68 0.69 -0.62 0.00 0.00 0.00 175.10 174.48 1j8a n GLU 77 N 7.10 0.95 0.00 2.72 1.02 -1.26 -5.02 120.64 126.15 1j8a n GLU 77 Ca 0.09 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1j8a n GLU 77 Cb 0.48 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1j8a n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j8a n GLY 78 N 1.43 1.62 0.03 0.62 0.00 -1.26 -4.97 105.19 102.66 1j8a n GLY 78 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1j8a n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j8a n ASN 79 N 0.00 2.05 -4.80 1.61 3.02 -1.26 -5.06 115.26 110.82 1j8a n ASN 79 Ca 0.00 -2.03 -0.33 0.00 -0.03 0.00 0.00 54.58 52.19 1j8a n ASN 79 Cb 0.00 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1j8a n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1j8a s GLU 80 N -1.05 3.57 -0.11 3.52 8.01 -1.25 -4.35 118.70 127.05 1j8a s GLU 80 Ca 0.02 1.28 -0.02 0.00 0.01 0.00 0.00 54.97 56.26 1j8a s GLU 80 Cb 0.01 -2.06 0.04 0.00 -4.31 0.00 0.00 34.13 27.81 1j8a s GLU 80 CO 0.01 -0.62 0.02 -0.65 0.01 0.00 0.00 175.26 174.03 1j8a s GLN 81 N -3.66 0.57 -0.26 1.61 -0.21 -0.36 -4.96 119.66 112.38 1j8a s GLN 81 Ca 0.65 -0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.92 1j8a s GLN 81 Cb -0.16 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 1j8a s GLN 81 CO 0.29 -0.41 0.11 -0.06 -2.12 0.00 0.00 175.29 173.09 1j8a s PHE 82 N 1.96 3.13 -0.05 0.91 0.08 -1.26 -0.72 117.98 122.03 1j8a s PHE 82 Ca 0.03 -0.24 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 1j8a s PHE 82 Cb -0.14 -2.28 0.03 0.00 -0.57 0.00 0.00 43.02 40.06 1j8a s PHE 82 CO -0.06 -0.29 -0.01 0.42 -0.10 0.00 0.00 175.22 175.19 1j8a s ILE 83 N 1.65 0.31 0.48 0.64 1.01 -0.18 -4.98 121.20 120.13 1j8a s ILE 83 Ca 0.07 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 1j8a s ILE 83 Cb -0.15 -0.43 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 1j8a s ILE 83 CO 0.06 0.21 1.16 -0.44 0.00 0.00 0.00 174.94 175.93 1j8a s SER 84 N 1.43 6.05 0.26 3.58 0.01 -1.26 -0.44 113.70 123.33 1j8a s SER 84 Ca -0.04 2.30 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 1j8a s SER 84 Cb -0.13 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 1j8a s SER 84 CO -0.03 -1.00 1.05 0.00 0.41 0.00 0.00 173.24 173.67 1j8a s ALA 85 N -1.58 3.38 -0.14 1.44 0.00 -0.30 -0.95 121.76 123.61 1j8a s ALA 85 Ca 0.66 0.80 0.19 0.00 0.00 0.00 0.00 51.96 53.60 1j8a s ALA 85 Cb -0.28 -3.29 -0.26 0.00 0.00 0.00 0.00 23.12 19.29 1j8a s ALA 85 CO 0.34 -0.04 0.31 -1.13 0.00 0.00 0.00 175.76 175.23 1j8a n SER 86 N 1.39 0.16 -3.63 0.00 3.41 0.65 -4.72 113.62 110.88 1j8a n SER 86 Ca -0.01 0.07 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 1j8a n SER 86 Cb 0.46 1.11 -0.07 0.00 -0.26 0.00 0.00 64.21 65.44 1j8a n SER 86 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1j8a s LYS 87 N -2.83 0.83 -0.01 4.33 2.20 -1.20 -5.01 119.74 118.05 1j8a s LYS 87 Ca -0.08 0.58 0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1j8a s LYS 87 Cb 0.09 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 1j8a s LYS 87 CO 0.85 -0.17 -0.22 -1.12 -0.36 0.00 0.00 175.35 174.32 1j8a s SER 88 N -0.30 2.63 -0.27 1.43 0.01 -1.26 -0.71 113.70 115.23 1j8a s SER 88 Ca -0.05 -0.43 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 1j8a s SER 88 Cb -0.03 -0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.00 1j8a s SER 88 CO 0.04 0.26 0.05 -0.63 0.41 0.00 0.00 173.24 173.37 1j8a s ILE 89 N -0.57 1.00 0.34 1.44 1.01 0.86 -4.99 121.20 120.30 1j8a s ILE 89 Ca 0.09 -1.21 -0.26 0.00 0.00 0.00 0.00 60.65 59.26 1j8a s ILE 89 Cb -0.09 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.69 1j8a s ILE 89 CO -0.00 -0.44 1.01 -0.69 0.00 0.00 0.00 174.94 174.82 1j8a s VAL 90 N 1.59 3.88 0.29 2.92 1.01 -1.26 -0.99 120.40 127.82 1j8a s VAL 90 Ca 0.04 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.30 1j8a s VAL 90 Cb -0.18 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1j8a s VAL 90 CO -0.16 0.14 1.18 1.57 0.00 0.00 0.00 175.10 177.82 1j8a n HIS 91 N 0.44 1.74 0.16 5.22 -0.00 -0.67 -4.83 115.22 117.27 1j8a n HIS 91 Ca 0.03 0.61 0.17 0.00 0.46 0.00 0.00 57.72 58.99 1j8a n HIS 91 Cb 0.49 -2.34 0.78 0.00 -0.12 0.00 0.00 29.99 28.79 1j8a n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1j8a h PRO 92 N 2.68 0.00 -0.33 1.57 0.13 -1.93 -2.09 132.00 132.03 1j8a h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1j8a h PRO 92 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1j8a h PRO 92 CO 0.65 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.85 1j8a n SER 93 N -3.97 3.77 -4.73 1.44 7.64 -1.26 -5.01 113.62 111.51 1j8a n SER 93 Ca 0.04 -2.69 -0.42 0.00 1.01 0.00 0.00 58.87 56.81 1j8a n SER 93 Cb 0.40 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 1j8a n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j8a n TYR 94 N -0.05 2.79 -4.06 1.43 9.36 -0.79 -4.70 117.16 121.15 1j8a n TYR 94 Ca 0.19 0.08 -0.33 0.00 3.32 0.00 0.00 57.90 61.16 1j8a n TYR 94 Cb 0.78 -2.66 -0.15 0.00 -0.63 0.00 0.00 39.34 36.67 1j8a n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1j8a s ASN 95 N 1.04 4.07 0.35 2.98 3.84 -0.73 -5.00 114.94 121.49 1j8a s ASN 95 Ca 0.73 -1.10 0.27 0.00 0.21 0.00 0.00 52.86 52.97 1j8a s ASN 95 Cb -0.50 -1.55 1.02 0.00 -0.55 0.00 0.00 41.25 39.67 1j8a s ASN 95 CO 0.35 -0.13 1.80 0.77 -2.79 0.00 0.00 177.10 177.10 1j8a h SER 96 N 7.86 0.00 0.12 -4.21 4.64 -1.93 0.32 113.55 120.34 1j8a h SER 96 Ca -0.29 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.80 1j8a h SER 96 Cb 1.08 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.19 1j8a h SER 96 CO 0.53 0.00 -0.98 0.78 -0.87 0.00 0.00 176.83 176.29 1j8a h ASN 97 N 0.00 0.66 0.05 4.97 2.35 -1.97 -3.36 115.58 118.28 1j8a h ASN 97 Ca 0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 56.30 54.88 1j8a h ASN 97 Cb 0.51 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1j8a h ASN 97 CO 0.00 1.46 -1.38 0.35 -1.65 0.00 0.00 177.43 176.21 1j8a n THR 98 N -4.00 0.02 -1.29 2.81 -2.24 -1.19 -4.97 114.28 103.42 1j8a n THR 98 Ca -0.13 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1j8a n THR 98 Cb 0.87 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1j8a n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j8a n LEU 99 N -1.84 -0.56 -4.75 3.22 4.77 0.11 -4.99 117.00 112.97 1j8a n LEU 99 Ca 0.01 0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 1j8a n LEU 99 Cb 0.43 -2.00 -0.03 0.00 -2.33 0.00 0.00 43.42 39.50 1j8a n LEU 99 CO 0.44 -0.70 1.03 0.21 -1.33 0.00 0.00 177.39 177.03 1j8a s ASN 100 N -2.63 6.78 -0.97 -1.43 2.47 -1.19 -2.90 114.94 115.08 1j8a s ASN 100 Ca 0.00 2.57 -0.02 0.00 0.42 0.00 0.00 52.86 55.83 1j8a s ASN 100 Cb 0.00 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 1j8a s ASN 100 CO 0.00 -0.59 0.82 0.59 -3.72 0.00 0.00 177.10 174.20 1j8a n ASN 101 N 2.06 -2.97 -4.20 -4.21 3.02 -1.26 -1.77 115.26 105.93 1j8a n ASN 101 Ca 0.05 -0.46 -0.43 0.00 -0.03 0.00 0.00 54.58 53.71 1j8a n ASN 101 Cb 0.42 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.51 1j8a n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j8a n ASP 102 N -2.48 4.53 -3.76 6.41 2.03 -1.14 -4.30 116.55 117.85 1j8a n ASP 102 Ca -0.16 -2.90 -0.13 0.00 0.52 0.00 0.00 54.79 52.12 1j8a n ASP 102 Cb 0.61 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.22 1j8a n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1j8a s ILE 103 N 3.51 0.02 -0.08 5.18 2.07 -1.26 -3.75 121.20 126.89 1j8a s ILE 103 Ca 0.50 -0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.45 1j8a s ILE 103 Cb 0.08 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.16 1j8a s ILE 103 CO 0.00 -0.10 0.30 -0.32 -1.91 0.00 0.00 174.94 172.92 1j8a s MET 104 N -0.38 0.46 -0.05 3.50 -2.45 -0.17 -1.67 119.30 118.54 1j8a s MET 104 Ca -0.05 0.20 -0.01 0.00 -1.25 0.00 0.00 55.69 54.59 1j8a s MET 104 Cb -0.03 0.21 -0.03 0.00 1.25 0.00 0.00 34.83 36.23 1j8a s MET 104 CO 0.02 -0.09 0.01 -0.51 1.05 0.00 0.00 175.02 175.50 1j8a s LEU 105 N -0.36 3.57 -0.10 4.11 1.43 -0.17 -0.65 118.68 126.52 1j8a s LEU 105 Ca -0.05 0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1j8a s LEU 105 Cb -0.03 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1j8a s LEU 105 CO 0.02 0.34 -0.12 -0.63 0.23 0.00 0.00 176.35 176.18 1j8a s ILE 106 N -0.96 1.28 -0.10 -0.59 1.01 0.19 -0.10 121.20 121.93 1j8a s ILE 106 Ca 0.16 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1j8a s ILE 106 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 1j8a s ILE 106 CO 0.05 0.40 0.21 -0.75 0.00 0.00 0.00 174.94 174.85 1j8a s LYS 107 N 1.10 3.59 0.22 2.79 2.20 0.11 -0.92 119.74 128.84 1j8a s LYS 107 Ca -0.05 -0.00 -0.21 0.00 -0.36 0.00 0.00 55.97 55.35 1j8a s LYS 107 Cb -0.14 -3.21 -0.08 0.00 -1.51 0.00 0.00 37.83 32.88 1j8a s LYS 107 CO -0.02 0.73 0.74 -0.51 -0.36 0.00 0.00 175.35 175.93 1j8a s LEU 108 N -0.96 4.38 0.50 5.43 1.43 0.40 -0.25 118.68 129.60 1j8a s LEU 108 Ca 0.17 1.48 0.21 0.00 -1.03 0.00 0.00 54.13 54.95 1j8a s LEU 108 Cb -0.13 -3.56 1.28 0.00 0.03 0.00 0.00 46.19 43.82 1j8a s LEU 108 CO 0.06 0.06 2.07 0.11 0.23 0.00 0.00 176.35 178.87 1j8a h LYS 109 N 3.56 0.00 -4.04 1.70 1.57 -1.33 -3.42 116.57 114.61 1j8a h LYS 109 Ca -0.48 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.15 1j8a h LYS 109 Cb 1.20 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.32 1j8a h LYS 109 CO 0.65 0.12 -0.68 -1.54 -0.57 0.00 0.00 179.45 177.44 1j8a s SER 110 N -6.62 0.31 0.25 0.86 1.04 -1.26 -5.01 113.70 103.26 1j8a s SER 110 Ca -0.04 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.45 1j8a s SER 110 Cb 0.15 0.14 -0.09 0.00 0.10 0.00 0.00 66.02 66.32 1j8a s SER 110 CO 0.64 -0.41 1.22 0.00 0.98 0.00 0.00 173.24 175.67 1j8a s ALA 111 N -2.30 3.46 0.60 5.32 0.00 -1.26 -4.86 121.76 122.72 1j8a s ALA 111 Ca -0.08 1.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 1j8a s ALA 111 Cb -0.04 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1j8a s ALA 111 CO -0.04 -0.41 1.11 0.00 0.00 0.00 0.00 175.76 176.42 1j8a s ALA 112 N -0.58 2.60 -0.50 0.00 0.00 0.65 -4.97 121.76 118.97 1j8a s ALA 112 Ca 0.50 0.65 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 1j8a s ALA 112 Cb -0.35 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.49 1j8a s ALA 112 CO 0.42 -0.98 0.73 -1.12 0.00 0.00 0.00 175.76 174.81 1j8a s SER 113 N -2.23 6.30 0.22 0.00 0.01 -1.26 -4.85 113.70 111.89 1j8a s SER 113 Ca 0.69 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1j8a s SER 113 Cb -0.21 -2.35 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 1j8a s SER 113 CO 0.34 -0.96 1.05 -0.76 0.41 0.00 0.00 173.24 173.32 1j8a s LEU 114 N 3.11 4.55 0.00 2.44 1.43 -1.26 -4.83 118.68 124.12 1j8a s LEU 114 Ca 0.23 2.09 0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1j8a s LEU 114 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1j8a s LEU 114 CO 0.17 -0.09 0.00 -0.46 0.23 0.00 0.00 176.35 176.19 1j8a n ASN 115 N 1.80 0.00 0.28 2.29 0.23 0.06 -4.99 115.26 114.93 1j8a n ASN 115 Ca 0.00 -0.92 0.15 0.00 -0.53 0.00 0.00 54.58 53.28 1j8a n ASN 115 Cb 0.46 0.00 0.81 0.00 -2.08 0.00 0.00 39.78 38.97 1j8a n ASN 115 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1j8a h SER 116 N 0.00 0.00 -0.00 0.53 4.64 -2.00 -2.96 113.55 113.76 1j8a h SER 116 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j8a h SER 116 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1j8a h SER 116 CO 0.00 0.08 -0.74 0.54 -0.87 0.00 0.00 176.83 175.84 1j8a n ARG 117 N -3.52 1.62 -3.70 4.77 1.74 -1.26 -4.77 116.66 111.53 1j8a n ARG 117 Ca -0.02 -0.06 -0.29 0.00 -0.77 0.00 0.00 57.85 56.71 1j8a n ARG 117 Cb 0.21 -1.27 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1j8a n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j8a s VAL 118 N -2.50 0.63 0.03 1.55 1.01 -1.12 -4.38 120.40 115.62 1j8a s VAL 118 Ca 0.07 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1j8a s VAL 118 Cb 0.12 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1j8a s VAL 118 CO 0.65 -0.55 0.13 0.00 0.00 0.00 0.00 175.10 175.34 1j8a s ALA 119 N 1.76 -0.22 0.58 5.51 0.00 -0.79 -0.76 121.76 127.84 1j8a s ALA 119 Ca 0.06 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 1j8a s ALA 119 Cb -0.17 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1j8a s ALA 119 CO -0.22 -0.29 0.99 -1.12 0.00 0.00 0.00 175.76 175.12 1j8a s SER 120 N -1.86 6.31 -0.05 0.00 0.01 -1.26 -2.90 113.70 113.95 1j8a s SER 120 Ca -0.08 1.40 0.04 0.00 1.31 0.00 0.00 55.95 58.62 1j8a s SER 120 Cb -0.03 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.72 1j8a s SER 120 CO -0.02 -0.78 -0.16 -0.51 0.41 0.00 0.00 173.24 172.18 1j8a s ILE 121 N -3.02 2.92 0.41 1.44 1.10 -0.22 -4.85 121.20 118.98 1j8a s ILE 121 Ca 0.55 -0.78 -0.25 0.00 -0.51 0.00 0.00 60.65 59.66 1j8a s ILE 121 Cb -0.11 -2.13 -0.08 0.00 0.15 0.00 0.00 42.46 40.29 1j8a s ILE 121 CO 0.48 0.59 1.23 -0.55 -2.11 0.00 0.00 174.94 174.58 1j8a s SER 122 N -0.71 6.39 0.50 4.50 0.15 -1.25 -4.62 113.70 118.65 1j8a s SER 122 Ca 0.11 2.48 -0.13 0.00 0.70 0.00 0.00 55.95 59.11 1j8a s SER 122 Cb -0.11 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.52 1j8a s SER 122 CO 0.00 -0.78 0.92 -0.76 1.20 0.00 0.00 173.24 173.82 1j8a s LEU 123 N -2.52 3.62 0.67 3.45 1.43 -1.26 -0.93 118.68 123.13 1j8a s LEU 123 Ca 0.58 1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 1j8a s LEU 123 Cb -0.34 -4.33 -0.00 0.00 0.03 0.00 0.00 46.19 41.55 1j8a s LEU 123 CO 0.43 -0.58 1.07 -2.16 0.23 0.00 0.00 176.35 175.33 1j8a s PRO 124 N -4.23 2.99 -0.03 1.29 0.04 -1.26 -4.76 135.00 129.03 1j8a s PRO 124 Ca 0.55 1.10 0.15 0.00 0.04 0.00 0.00 61.00 62.84 1j8a s PRO 124 Cb -0.10 -1.99 -0.24 0.00 0.04 0.00 0.00 34.50 32.21 1j8a s PRO 124 CO 0.36 -1.07 0.33 0.25 0.04 0.00 0.00 177.00 176.91 1j8a n THR 125 N -2.74 0.05 -3.82 1.26 -2.24 -1.26 -4.97 114.28 100.57 1j8a n THR 125 Ca 0.08 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.39 1j8a n THR 125 Cb 0.53 0.10 -0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1j8a n THR 125 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1j8a s SER 127 N -3.84 -0.02 0.64 3.42 0.01 -1.26 -5.16 113.70 107.49 1j8a s SER 127 Ca -0.06 -0.30 -0.16 0.00 1.31 0.00 0.00 55.95 56.74 1j8a s SER 127 Cb 0.10 0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 1j8a s SER 127 CO 0.64 -0.57 1.14 0.00 0.41 0.00 0.00 173.24 174.86 1j8a s ALA 129 N -2.10 2.96 0.19 0.00 0.00 -1.26 -5.10 121.76 116.45 1j8a s ALA 129 Ca 0.70 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.85 1j8a s ALA 129 Cb -0.23 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1j8a s ALA 129 CO 0.38 -1.52 -0.15 -1.12 0.00 0.00 0.00 175.76 173.35 1j8a s SER 130 N -4.58 3.93 0.36 0.00 0.01 -1.26 -5.09 113.70 107.07 1j8a s SER 130 Ca 0.62 -0.70 -0.28 0.00 1.31 0.00 0.00 55.95 56.91 1j8a s SER 130 Cb -0.10 -0.53 -0.12 0.00 0.21 0.00 0.00 66.02 65.48 1j8a s SER 130 CO 0.47 0.11 1.30 0.00 0.41 0.00 0.00 173.24 175.53 1j8a n ALA 132 N 0.12 1.39 0.00 1.44 0.00 -1.26 -1.96 120.51 120.24 1j8a n ALA 132 Ca -0.11 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1j8a n ALA 132 Cb 0.56 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1j8a n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j8a n GLY 133 N 0.75 3.44 3.75 0.00 0.00 0.75 -4.95 105.19 108.92 1j8a n GLY 133 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1j8a n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8a s THR 134 N -2.87 2.94 0.11 2.61 2.01 -0.83 -4.67 115.64 114.94 1j8a s THR 134 Ca 0.00 0.84 -0.22 0.00 0.31 0.00 0.00 61.69 62.61 1j8a s THR 134 Cb 0.00 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.91 1j8a s THR 134 CO 0.00 0.15 0.68 -1.58 -0.69 0.00 0.00 174.62 173.18 1j8a s GLN 135 N -0.77 4.39 0.19 4.92 2.00 -1.26 -1.39 119.66 127.74 1j8a s GLN 135 Ca 0.54 0.95 0.02 0.00 -2.00 0.00 0.00 55.36 54.86 1j8a s GLN 135 Cb -0.38 -3.26 -0.05 0.00 0.80 0.00 0.00 33.01 30.11 1j8a s GLN 135 CO 0.44 0.57 0.02 0.00 -0.50 0.00 0.00 175.29 175.82 1j8a s LEU 137 N -3.20 2.98 -0.06 0.00 2.96 0.72 -1.08 118.68 121.01 1j8a s LEU 137 Ca 0.26 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1j8a s LEU 137 Cb 0.06 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1j8a s LEU 137 CO 0.06 0.05 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.35 1j8a s ILE 138 N 1.09 2.96 0.08 6.68 1.01 0.04 -1.32 121.20 131.73 1j8a s ILE 138 Ca 0.01 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.84 1j8a s ILE 138 Cb -0.15 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1j8a s ILE 138 CO -0.00 0.58 0.16 -0.94 0.00 0.00 0.00 174.94 174.73 1j8a s SER 139 N -0.50 0.16 0.00 3.58 1.04 -1.18 -0.75 113.70 116.05 1j8a s SER 139 Ca 0.07 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1j8a s SER 139 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1j8a s SER 139 CO 0.02 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.16 1j8a n GLY 140 N 0.08 -0.15 1.37 7.32 0.00 -0.42 -4.38 105.19 109.01 1j8a n GLY 140 Ca -0.15 -1.14 0.02 0.00 0.00 0.00 0.00 46.02 44.74 1j8a n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1j8a n TRP 141 N -0.64 1.54 -1.54 1.61 8.01 -1.26 -1.86 117.44 123.30 1j8a n TRP 141 Ca 0.00 -1.08 -0.29 0.00 -1.31 0.00 0.00 57.50 54.82 1j8a n TRP 141 Cb 0.00 -0.48 0.22 0.00 -2.01 0.00 0.00 31.31 29.04 1j8a n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1j8a n GLY 142 N -0.39 -2.03 3.66 6.99 0.00 -1.25 -4.37 105.19 107.80 1j8a n GLY 142 Ca 0.30 -1.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 1j8a n GLY 142 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j8a n ASN 143 N -4.26 2.43 -0.86 1.61 5.15 0.23 -3.02 115.26 116.54 1j8a n ASN 143 Ca 0.16 1.17 0.10 0.00 -0.60 0.00 0.00 54.58 55.40 1j8a n ASN 143 Cb 0.57 -1.41 0.12 0.00 -0.53 0.00 0.00 39.78 38.53 1j8a n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1j8a n THR 144 N 1.18 0.19 -4.66 -0.44 -2.24 -0.37 -1.25 114.28 106.69 1j8a n THR 144 Ca 0.10 -0.59 -0.33 0.00 -2.27 0.00 0.00 64.05 60.95 1j8a n THR 144 Cb 0.32 1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 69.68 1j8a n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1j8a s LYS 145 N -1.54 2.66 0.25 -0.78 -0.14 -1.26 -4.35 119.74 114.58 1j8a s LYS 145 Ca 0.27 -0.61 0.23 0.00 -1.36 0.00 0.00 55.97 54.50 1j8a s LYS 145 Cb 0.18 -2.53 0.13 0.00 -1.68 0.00 0.00 37.83 33.92 1j8a s LYS 145 CO 0.26 0.65 1.21 0.66 -0.76 0.00 0.00 175.35 177.37 1j8a h SER 146 N 5.16 0.00 -3.34 2.83 4.64 -1.93 -3.43 113.55 117.49 1j8a h SER 146 Ca -0.48 -0.03 -0.40 0.00 -0.47 0.00 0.00 61.79 60.41 1j8a h SER 146 Cb 1.17 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.89 1j8a h SER 146 CO 0.52 0.01 -0.76 -0.55 -0.87 0.00 0.00 176.83 175.18 1j8a s SER 147 N -5.41 1.21 0.00 4.97 0.15 -1.26 -4.66 113.70 108.70 1j8a s SER 147 Ca 0.02 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1j8a s SER 147 Cb 0.09 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 1j8a s SER 147 CO 0.75 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.64 1j8a n GLY 148 N 4.84 -2.38 2.89 9.45 0.00 -1.26 -4.99 105.19 113.74 1j8a n GLY 148 Ca -0.12 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 1j8a n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j8a s THR 149 N -0.30 -0.04 -0.22 2.61 2.01 -1.26 -4.64 115.64 113.79 1j8a s THR 149 Ca 0.00 0.15 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 1j8a s THR 149 Cb 0.00 -0.17 0.10 0.00 0.01 0.00 0.00 72.50 72.44 1j8a s THR 149 CO 0.00 0.06 0.47 -0.55 -0.69 0.00 0.00 174.62 173.91 1j8a s SER 150 N 0.88 -0.44 -0.21 3.53 0.15 -1.26 -4.98 113.70 111.37 1j8a s SER 150 Ca -0.07 1.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.58 1j8a s SER 150 Cb -0.09 1.55 -0.03 0.00 -1.71 0.00 0.00 66.02 65.74 1j8a s SER 150 CO -0.04 -0.23 0.05 -0.31 1.20 0.00 0.00 173.24 173.91 1j8a s TYR 151 N 2.67 3.14 0.61 3.44 1.51 -1.26 -1.24 117.35 126.22 1j8a s TYR 151 Ca -0.01 -0.20 -0.13 0.00 -1.01 0.00 0.00 57.07 55.72 1j8a s TYR 151 Cb -0.12 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.55 1j8a s TYR 151 CO -0.14 -0.11 1.03 -1.25 -1.11 0.00 0.00 175.55 173.96 1j8a s PRO 152 N 0.96 3.51 -0.16 -1.71 0.04 -1.26 -5.00 135.00 131.38 1j8a s PRO 152 Ca 0.03 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.06 1j8a s PRO 152 Cb -0.14 -2.07 -0.23 0.00 0.04 0.00 0.00 34.50 32.10 1j8a s PRO 152 CO 0.03 -0.64 0.20 -0.25 0.04 0.00 0.00 177.00 176.38 1j8a n ASP 153 N -2.45 1.03 -4.95 6.66 8.00 -1.26 -4.92 116.55 118.65 1j8a n ASP 153 Ca 0.07 0.11 -0.23 0.00 0.71 0.00 0.00 54.79 55.45 1j8a n ASP 153 Cb 0.54 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.72 1j8a n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1j8a s VAL 154 N -2.54 5.17 0.20 2.53 -7.23 -1.26 -1.07 120.40 116.20 1j8a s VAL 154 Ca -0.16 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.04 1j8a s VAL 154 Cb 0.07 -3.86 -0.09 0.00 0.56 0.00 0.00 36.38 33.07 1j8a s VAL 154 CO 0.77 -0.45 1.38 -0.22 -0.31 0.00 0.00 175.10 176.27 1j8a s LEU 155 N -4.13 4.40 0.11 1.32 2.96 -1.22 -4.83 118.68 117.27 1j8a s LEU 155 Ca 0.37 2.48 0.05 0.00 -0.22 0.00 0.00 54.13 56.81 1j8a s LEU 155 Cb -0.09 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1j8a s LEU 155 CO 0.33 -0.62 0.02 -0.54 -1.32 0.00 0.00 176.35 174.22 1j8a s LYS 156 N 0.12 2.60 0.11 1.98 -0.14 -0.78 -1.88 119.74 121.75 1j8a s LYS 156 Ca 0.60 -0.85 0.06 0.00 -1.36 0.00 0.00 55.97 54.41 1j8a s LYS 156 Cb -0.39 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.18 1j8a s LYS 156 CO 0.38 0.53 -0.15 0.00 -0.76 0.00 0.00 175.35 175.35 1j8a s LEU 158 N -2.21 0.02 -0.16 0.00 2.96 0.07 -0.24 118.68 119.11 1j8a s LEU 158 Ca 0.06 0.65 -0.17 0.00 -0.22 0.00 0.00 54.13 54.44 1j8a s LEU 158 Cb -0.07 0.89 -0.04 0.00 0.50 0.00 0.00 46.19 47.47 1j8a s LEU 158 CO 0.03 -0.20 0.45 -0.54 -1.32 0.00 0.00 176.35 174.77 1j8a s LYS 159 N 1.74 4.25 -0.01 1.98 1.02 -1.26 -0.78 119.74 126.68 1j8a s LYS 159 Ca -0.06 0.35 -0.14 0.00 0.02 0.00 0.00 55.97 56.14 1j8a s LYS 159 Cb -0.11 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 33.73 1j8a s LYS 159 CO -0.10 0.03 0.30 0.00 -0.92 0.00 0.00 175.35 174.66 1j8a s ALA 160 N 1.05 -0.75 0.22 5.17 0.00 -0.24 -4.95 121.76 122.26 1j8a s ALA 160 Ca 0.23 0.30 -0.08 0.00 0.00 0.00 0.00 51.96 52.41 1j8a s ALA 160 Cb -0.15 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1j8a s ALA 160 CO 0.09 -0.25 0.51 -1.25 0.00 0.00 0.00 175.76 174.85 1j8a s PRO 161 N -1.31 3.72 0.26 0.00 0.04 -1.26 -0.50 135.00 135.96 1j8a s PRO 161 Ca -0.13 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.75 1j8a s PRO 161 Cb -0.05 -2.69 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 1j8a s PRO 161 CO 0.04 0.33 1.16 0.42 0.04 0.00 0.00 177.00 178.99 1j8a s ILE 162 N -1.83 3.38 0.19 0.56 1.01 -0.49 -1.25 121.20 122.78 1j8a s ILE 162 Ca 0.45 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.46 1j8a s ILE 162 Cb -0.11 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1j8a s ILE 162 CO 0.24 0.29 0.34 -0.76 0.00 0.00 0.00 174.94 175.05 1j8a s LEU 163 N -1.21 4.30 0.60 2.97 1.43 0.08 -0.18 118.68 126.68 1j8a s LEU 163 Ca 0.47 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.58 1j8a s LEU 163 Cb -0.33 -2.96 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1j8a s LEU 163 CO 0.42 -0.01 1.32 -0.94 0.23 0.00 0.00 176.35 177.37 1j8a s SER 164 N -3.46 4.90 0.36 2.29 1.04 -1.26 -4.53 113.70 113.04 1j8a s SER 164 Ca 0.35 2.68 0.05 0.00 0.48 0.00 0.00 55.95 59.51 1j8a s SER 164 Cb -0.10 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.07 1j8a s SER 164 CO 0.29 -1.81 1.95 0.44 0.98 0.00 0.00 173.24 175.09 1j8a h ASP 165 N 0.95 0.53 -0.62 7.02 3.32 -1.98 -0.98 116.42 124.66 1j8a h ASP 165 Ca -0.51 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.39 1j8a h ASP 165 Cb 1.32 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 1j8a h ASP 165 CO 0.55 0.49 0.04 0.77 -1.72 0.00 0.00 179.24 179.38 1j8a h SER 166 N 0.58 1.03 0.51 6.45 4.64 -1.99 0.10 113.55 124.87 1j8a h SER 166 Ca 0.14 -0.29 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 1j8a h SER 166 Cb 0.14 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1j8a h SER 166 CO -0.01 1.06 -0.58 0.77 -0.87 0.00 0.00 176.83 177.20 1j8a h SER 167 N 0.96 0.08 0.10 4.97 4.64 -1.81 -1.21 113.55 121.29 1j8a h SER 167 Ca 0.18 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1j8a h SER 167 Cb 0.51 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1j8a h SER 167 CO 0.02 0.64 -0.05 0.00 -0.87 0.00 0.00 176.83 176.57 1j8a h LYS 169 N -0.40 0.96 -0.15 0.00 1.57 -0.92 -2.02 116.57 115.61 1j8a h LYS 169 Ca -0.01 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1j8a h LYS 169 Cb 0.33 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1j8a h LYS 169 CO 0.02 0.70 -0.36 0.77 -0.57 0.00 0.00 179.45 180.01 1j8a h SER 170 N 0.97 0.33 0.45 0.86 0.02 -1.09 -2.73 113.55 112.36 1j8a h SER 170 Ca 0.25 -0.13 -0.13 0.00 -0.84 0.00 0.00 61.79 60.94 1j8a h SER 170 Cb 0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1j8a h SER 170 CO -0.04 0.67 -0.58 0.00 -1.14 0.00 0.00 176.83 175.74 1j8a h ALA 171 N 1.35 0.96 -2.29 3.77 0.00 -0.65 -3.37 119.26 119.03 1j8a h ALA 171 Ca 0.03 -0.53 -0.59 0.00 0.00 0.00 0.00 54.91 53.83 1j8a h ALA 171 Cb 0.77 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.07 1j8a h ALA 171 CO 0.06 0.72 -0.85 0.66 0.00 0.00 0.00 179.25 179.84 1j8a n TYR 172 N -3.87 1.25 -1.61 0.00 4.01 -0.81 -4.89 117.16 111.23 1j8a n TYR 172 Ca -0.02 -3.80 -0.48 0.00 -0.16 0.00 0.00 57.90 53.44 1j8a n TYR 172 Cb 0.59 -0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.25 1j8a n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1j8a n PRO 173 N 1.61 1.48 -1.06 -0.72 -0.02 -1.05 -2.07 135.00 133.17 1j8a n PRO 173 Ca 0.25 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.24 1j8a n PRO 173 Cb 0.46 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1j8a n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j8a n GLY 174 N 2.16 0.34 0.00 -1.23 0.00 -1.26 -4.84 105.19 100.35 1j8a n GLY 174 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1j8a n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1j8a n GLN 175 N -0.60 2.93 -3.37 1.61 6.02 -0.88 -5.01 117.38 118.09 1j8a n GLN 175 Ca -0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.57 1j8a n GLN 175 Cb 0.36 -0.76 -0.09 0.00 1.02 0.00 0.00 30.24 30.76 1j8a n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1j8a s ILE 176 N -1.49 5.14 0.52 5.09 -1.09 -1.25 -5.02 121.20 123.10 1j8a s ILE 176 Ca 0.00 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.87 1j8a s ILE 176 Cb 0.00 -3.78 0.05 0.00 -1.58 0.00 0.00 42.46 37.15 1j8a s ILE 176 CO 0.00 0.02 0.71 0.42 -1.23 0.00 0.00 174.94 174.86 1j8a s THR 177 N 2.11 2.60 -1.35 2.92 -4.23 -1.26 -4.97 115.64 111.45 1j8a s THR 177 Ca 0.15 -0.91 0.10 0.00 -1.18 0.00 0.00 61.69 59.85 1j8a s THR 177 Cb -0.16 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 71.15 1j8a s THR 177 CO 0.11 0.00 1.23 -1.54 -0.54 0.00 0.00 174.62 173.88 1j8a n SER 178 N -2.14 0.00 -1.63 3.99 3.41 -1.26 -1.99 113.62 114.00 1j8a n SER 178 Ca 0.11 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 1j8a n SER 178 Cb 0.60 -0.32 0.37 0.00 -0.26 0.00 0.00 64.21 64.59 1j8a n SER 178 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1j8a n ASN 179 N -1.32 5.07 -4.08 4.04 3.02 -1.26 -4.92 115.26 115.80 1j8a n ASN 179 Ca 0.04 -2.69 -0.13 0.00 -0.03 0.00 0.00 54.58 51.77 1j8a n ASN 179 Cb 0.09 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.53 1j8a n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1j8a s MET 180 N -2.30 0.59 0.05 3.52 -1.94 -0.84 -0.94 119.30 117.44 1j8a s MET 180 Ca 0.51 -0.87 -0.05 0.00 -1.71 0.00 0.00 55.69 53.57 1j8a s MET 180 Cb 0.36 -0.28 -0.01 0.00 2.01 0.00 0.00 34.83 36.91 1j8a s MET 180 CO 0.19 0.04 0.09 -0.59 -0.01 0.00 0.00 175.02 174.74 1j8a s PHE 181 N -1.81 0.25 0.04 -0.03 -0.12 -0.33 -4.77 117.98 111.21 1j8a s PHE 181 Ca -0.06 -0.63 -0.00 0.00 -0.05 0.00 0.00 56.93 56.19 1j8a s PHE 181 Cb -0.07 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.11 1j8a s PHE 181 CO -0.01 -0.40 0.16 0.00 -0.05 0.00 0.00 175.22 174.92 1j8a s ALA 183 N -1.40 -0.60 0.00 0.00 0.00 -0.63 -0.74 121.76 118.40 1j8a s ALA 183 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1j8a s ALA 183 Cb -0.13 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1j8a s ALA 183 CO 0.23 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.17 1j8a n GLY 184 N 1.50 0.43 2.68 0.00 0.00 -0.38 -2.55 105.19 106.86 1j8a n GLY 184 Ca -0.21 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 1j8a n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j8a s TYR 184 N -2.67 0.32 0.57 1.61 2.02 -1.26 -4.33 117.35 113.60 1j8a s TYR 184 Ca 0.00 -0.09 0.35 0.00 -0.37 0.00 0.00 57.07 56.97 1j8a s TYR 184 Cb 0.00 -0.66 1.97 0.00 -0.40 0.00 0.00 41.96 42.88 1j8a s TYR 184 CO 0.00 -0.34 2.26 -0.07 -1.57 0.00 0.00 175.55 175.83 1j8a h LEU 185 N 8.39 0.00 -0.39 -1.29 3.38 -1.95 -1.75 115.31 121.70 1j8a h LEU 185 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1j8a h LEU 185 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1j8a h LEU 185 CO 0.23 0.02 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 1j8a n GLU 186 N -3.49 0.18 0.00 1.13 -0.58 -1.26 -0.05 120.64 116.57 1j8a n GLU 186 Ca -0.03 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1j8a n GLU 186 Cb 0.11 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1j8a n GLU 186 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j8a n GLY 187 N 0.44 -0.30 1.13 0.62 0.00 -0.66 -4.47 105.19 101.95 1j8a n GLY 187 Ca 0.03 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1j8a n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j8a n GLY 188 N -0.27 2.99 2.72 -0.02 0.00 0.03 -4.96 105.19 105.68 1j8a n GLY 188 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1j8a n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j8a s LYS 188 N -0.71 0.44 0.11 1.61 1.02 -1.26 -3.61 119.74 117.34 1j8a s LYS 188 Ca 0.00 -0.00 -0.26 0.00 0.02 0.00 0.00 55.97 55.72 1j8a s LYS 188 Cb 0.00 -1.30 0.08 0.00 -0.52 0.00 0.00 37.83 36.09 1j8a s LYS 188 CO 0.00 -0.44 1.06 0.34 -0.92 0.00 0.00 175.35 175.39 1j8a s ASP 189 N 2.00 -0.13 0.80 2.83 2.15 -0.53 -4.24 116.67 119.53 1j8a s ASP 189 Ca 0.03 -0.34 -0.08 0.00 0.43 0.00 0.00 52.55 52.60 1j8a s ASP 189 Cb -0.14 0.39 0.13 0.00 -0.30 0.00 0.00 42.92 43.01 1j8a s ASP 189 CO -0.06 -0.73 1.11 -0.94 -0.17 0.00 0.00 175.17 174.38 1j8a s SER 190 N -2.97 4.06 0.23 -0.34 1.04 -1.26 -0.26 113.70 114.19 1j8a s SER 190 Ca 0.13 0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.55 1j8a s SER 190 Cb 0.00 -0.42 0.04 0.00 0.10 0.00 0.00 66.02 65.74 1j8a s SER 190 CO 0.01 -2.08 0.48 0.00 0.98 0.00 0.00 173.24 172.62 1j8a n GLN 192 N -0.32 1.26 0.00 0.00 0.00 -1.26 -1.01 117.38 116.05 1j8a n GLN 192 Ca -0.05 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 1j8a n GLN 192 Cb 0.35 -2.07 0.00 0.00 0.00 0.00 0.00 30.24 28.53 1j8a n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1j8a n GLY 193 N 2.44 3.11 0.07 1.69 0.00 -1.26 -0.60 105.19 110.64 1j8a n GLY 193 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1j8a n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j8a h ASP 194 N 0.00 0.00 -2.05 1.61 3.32 -1.39 -3.32 116.42 114.59 1j8a h ASP 194 Ca 0.00 -0.21 -0.63 0.00 0.02 0.00 0.00 57.03 56.21 1j8a h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1j8a h ASP 194 CO 0.00 0.11 -0.03 -1.20 -1.72 0.00 0.00 179.24 176.39 1j8a n SER 195 N -2.13 0.64 0.00 6.45 7.64 -1.26 -1.45 113.62 123.52 1j8a n SER 195 Ca 0.03 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1j8a n SER 195 Cb 0.44 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 1j8a n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j8a n GLY 196 N 1.47 2.59 3.74 0.23 0.00 -0.07 -0.29 105.19 112.86 1j8a n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1j8a n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j8a s GLY 197 N -1.88 1.59 0.38 -0.02 0.00 -0.53 -3.17 107.32 103.69 1j8a s GLY 197 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 44.72 43.88 1j8a s GLY 197 CO 0.00 0.02 0.91 2.56 0.00 0.00 0.00 173.10 176.60 1j8a s PRO 198 N -5.28 4.31 -0.26 2.90 0.04 -1.26 -0.98 135.00 134.46 1j8a s PRO 198 Ca 0.66 1.12 0.01 0.00 0.04 0.00 0.00 61.00 62.82 1j8a s PRO 198 Cb -0.14 -2.42 0.07 0.00 0.04 0.00 0.00 34.50 32.06 1j8a s PRO 198 CO 0.55 0.10 0.00 0.08 0.04 0.00 0.00 177.00 177.77 1j8a s VAL 199 N -1.96 1.42 -0.14 -0.36 1.01 -0.50 -3.13 120.40 116.73 1j8a s VAL 199 Ca 0.57 -1.38 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1j8a s VAL 199 Cb -0.12 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1j8a s VAL 199 CO 0.17 -0.31 -0.09 -0.69 0.00 0.00 0.00 175.10 174.18 1j8a s VAL 200 N 1.41 3.40 -0.10 2.92 1.01 -0.43 -1.18 120.40 127.41 1j8a s VAL 200 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1j8a s VAL 200 Cb -0.18 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1j8a s VAL 200 CO -0.11 0.51 -0.08 0.00 0.00 0.00 0.00 175.10 175.42 1j8a n SER 202 N 4.73 -4.07 -0.00 0.00 7.64 -1.26 -1.36 113.62 119.30 1j8a n SER 202 Ca -0.14 -0.86 -0.00 0.00 1.01 0.00 0.00 58.87 58.88 1j8a n SER 202 Cb 0.50 -3.53 -0.00 0.00 -1.01 0.00 0.00 64.21 60.18 1j8a n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j8a n GLY 203 N -1.61 0.48 3.29 0.23 0.00 -1.26 -5.03 105.19 101.28 1j8a n GLY 203 Ca 0.03 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1j8a n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j8a s LYS 204 N -0.12 1.90 -0.73 1.61 -0.14 -0.47 -3.91 119.74 117.88 1j8a s LYS 204 Ca 0.00 -0.91 -0.27 0.00 -1.36 0.00 0.00 55.97 53.43 1j8a s LYS 204 Cb 0.00 -1.89 0.03 0.00 -1.68 0.00 0.00 37.83 34.29 1j8a s LYS 204 CO 0.00 0.51 1.31 -1.17 -0.76 0.00 0.00 175.35 175.24 1j8a s LEU 209 N -0.72 3.17 0.01 3.17 2.96 -0.11 -0.87 118.68 126.28 1j8a s LEU 209 Ca 0.10 -0.41 0.22 0.00 -0.22 0.00 0.00 54.13 53.81 1j8a s LEU 209 Cb -0.09 -2.56 -0.27 0.00 0.50 0.00 0.00 46.19 43.76 1j8a s LEU 209 CO -0.00 -1.86 0.57 0.00 -1.32 0.00 0.00 176.35 173.73 1j8a n GLN 210 N 9.37 0.65 -4.03 1.98 1.13 -0.33 -4.17 117.38 121.98 1j8a n GLN 210 Ca 0.04 -0.13 -0.09 0.00 -1.94 0.00 0.00 57.00 54.87 1j8a n GLN 210 Cb 0.49 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.18 1j8a n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1j8a s GLY 211 N -4.53 0.63 -0.06 1.08 0.00 -0.80 -1.60 107.32 102.04 1j8a s GLY 211 Ca -0.07 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1j8a s GLY 211 CO 0.89 -1.05 -0.13 -0.42 0.00 0.00 0.00 173.10 172.39 1j8a s ILE 212 N -3.99 1.16 0.04 0.90 1.01 -1.06 -1.40 121.20 117.86 1j8a s ILE 212 Ca 0.18 -0.50 -0.31 0.00 0.00 0.00 0.00 60.65 60.02 1j8a s ILE 212 Cb 0.05 -1.05 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 1j8a s ILE 212 CO -0.01 0.36 1.90 0.52 0.00 0.00 0.00 174.94 177.71 1j8a n VAL 213 N 3.74 0.58 0.03 2.92 0.31 -0.15 -1.25 118.33 124.51 1j8a n VAL 213 Ca -0.22 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1j8a n VAL 213 Cb 0.52 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 1j8a n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1j8a n SER 214 N 6.60 0.59 -2.95 4.52 2.88 -0.97 -0.89 113.62 123.41 1j8a n SER 214 Ca 0.20 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1j8a n SER 214 Cb 0.37 -0.16 0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1j8a n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1j8a s TRP 215 N -1.58 0.11 0.00 0.66 1.48 -0.69 -4.93 118.94 113.99 1j8a s TRP 215 Ca 0.00 -0.79 0.00 0.00 -1.06 0.00 0.00 56.10 54.25 1j8a s TRP 215 Cb 0.00 0.84 0.00 0.00 -1.16 0.00 0.00 33.47 33.15 1j8a s TRP 215 CO 0.00 -1.57 0.00 0.41 -4.06 0.00 0.00 176.95 171.73 1j8a n GLY 216 N -0.53 0.95 3.53 3.67 0.00 -1.26 -0.70 105.19 110.86 1j8a n GLY 216 Ca -0.08 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1j8a n GLY 216 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j8a s SER 217 N 0.00 6.39 0.82 1.61 0.01 -1.26 -4.85 113.70 116.42 1j8a s SER 217 Ca 0.00 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.06 1j8a s SER 217 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1j8a s SER 217 CO 0.00 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.27 1j8a n GLY 219 N 5.02 0.72 2.83 3.44 0.00 -1.26 -4.59 105.19 111.35 1j8a n GLY 219 Ca 0.02 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1j8a n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j8a n ALA 221 N 3.57 -0.66 -2.17 0.00 0.00 -1.26 -4.65 120.51 115.34 1j8a n ALA 221 Ca -0.19 0.16 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 1j8a n ALA 221 Cb 0.56 -2.07 -0.06 0.00 0.00 0.00 0.00 19.45 17.87 1j8a n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j8a s GLN 221 N -5.06 4.18 0.26 0.00 -1.52 -1.26 -0.79 119.66 115.46 1j8a s GLN 221 Ca 0.01 0.77 -0.31 0.00 -1.95 0.00 0.00 55.36 53.88 1j8a s GLN 221 Cb -0.00 -2.89 -0.13 0.00 -0.22 0.00 0.00 33.01 29.77 1j8a s GLN 221 CO 0.01 0.41 1.44 1.17 -0.25 0.00 0.00 175.29 178.08 1j8a n LYS 222 N 0.74 2.18 -1.11 2.91 4.81 -1.26 -1.86 118.16 124.57 1j8a n LYS 222 Ca -0.03 0.78 -0.04 0.00 -0.87 0.00 0.00 58.31 58.15 1j8a n LYS 222 Cb 0.51 -2.46 -0.02 0.00 0.02 0.00 0.00 35.03 33.09 1j8a n LYS 222 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1j8a n ASN 223 N 2.10 -5.33 -3.54 3.14 5.03 0.93 -4.90 115.26 112.69 1j8a n ASN 223 Ca 0.11 0.10 -0.27 0.00 0.87 0.00 0.00 54.58 55.38 1j8a n ASN 223 Cb 0.33 -3.17 -0.10 0.00 -1.02 0.00 0.00 39.78 35.82 1j8a n ASN 223 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1j8a n LYS 224 N -0.41 1.25 -1.29 3.52 4.76 -0.78 -4.76 118.16 120.46 1j8a n LYS 224 Ca -0.04 -3.90 -0.29 0.00 -2.87 0.00 0.00 58.31 51.21 1j8a n LYS 224 Cb 0.44 -1.91 0.16 0.00 -1.84 0.00 0.00 35.03 31.87 1j8a n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1j8a s PRO 225 N -1.12 0.77 0.45 1.97 0.04 -1.26 -4.27 135.00 131.59 1j8a s PRO 225 Ca 0.32 0.49 -0.23 0.00 0.04 0.00 0.00 61.00 61.62 1j8a s PRO 225 Cb 0.05 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 1j8a s PRO 225 CO -0.14 -2.49 1.17 0.20 0.04 0.00 0.00 177.00 175.77 1j8a s GLY 226 N -3.63 2.79 -0.11 0.56 0.00 -1.06 -4.68 107.32 101.19 1j8a s GLY 226 Ca 0.64 0.94 0.01 0.00 0.00 0.00 0.00 44.72 46.31 1j8a s GLY 226 CO 0.56 1.40 -0.13 0.14 0.00 0.00 0.00 173.10 175.08 1j8a s VAL 227 N -1.53 3.12 0.04 1.40 1.01 0.12 -1.60 120.40 122.96 1j8a s VAL 227 Ca 0.63 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1j8a s VAL 227 Cb -0.29 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 1j8a s VAL 227 CO 0.35 0.54 -0.16 -0.31 0.00 0.00 0.00 175.10 175.52 1j8a s TYR 228 N 0.05 1.44 0.19 5.22 2.02 0.55 -1.70 117.35 125.11 1j8a s TYR 228 Ca -0.05 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1j8a s TYR 228 Cb -0.14 -0.85 -0.08 0.00 -0.40 0.00 0.00 41.96 40.48 1j8a s TYR 228 CO 0.04 0.06 1.30 0.99 -1.57 0.00 0.00 175.55 176.36 1j8a s THR 229 N -0.82 3.28 -0.94 -0.71 2.01 -0.38 -1.19 115.64 116.89 1j8a s THR 229 Ca 0.04 1.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.88 1j8a s THR 229 Cb -0.08 -3.67 0.09 0.00 0.01 0.00 0.00 72.50 68.85 1j8a s THR 229 CO 0.01 0.15 1.24 -0.75 -0.69 0.00 0.00 174.62 174.59 1j8a s LYS 230 N -0.03 3.56 0.40 4.92 2.20 -0.11 -2.56 119.74 128.11 1j8a s LYS 230 Ca 0.57 -1.43 0.12 0.00 -0.36 0.00 0.00 55.97 54.86 1j8a s LYS 230 Cb -0.36 -5.02 0.92 0.00 -1.51 0.00 0.00 37.83 31.86 1j8a s LYS 230 CO 0.37 -1.95 1.93 0.28 -0.36 0.00 0.00 175.35 175.63 1j8a h VAL 231 N 6.20 0.88 -0.06 4.02 2.07 -1.59 -2.17 116.25 125.59 1j8a h VAL 231 Ca 0.14 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1j8a h VAL 231 Cb 1.02 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1j8a h VAL 231 CO 1.23 0.10 0.07 0.00 0.02 0.00 0.00 177.57 179.00 1j8a n ASN 233 N -3.84 0.49 -0.46 0.00 3.02 -0.82 -3.56 115.26 110.09 1j8a n ASN 233 Ca -0.01 0.60 0.05 0.00 -0.03 0.00 0.00 54.58 55.18 1j8a n ASN 233 Cb 0.17 -0.71 0.07 0.00 -0.61 0.00 0.00 39.78 38.70 1j8a n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1j8a n TYR 234 N -2.02 0.12 -0.34 3.10 4.01 0.26 -4.69 117.16 117.60 1j8a n TYR 234 Ca 0.04 -0.15 -0.01 0.00 -0.16 0.00 0.00 57.90 57.62 1j8a n TYR 234 Cb 0.27 -0.01 0.12 0.00 -0.31 0.00 0.00 39.34 39.42 1j8a n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1j8a h VAL 235 N 1.97 1.16 -0.57 -0.72 2.07 -1.60 0.89 116.25 119.46 1j8a h VAL 235 Ca 0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1j8a h VAL 235 Cb 0.51 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1j8a h VAL 235 CO 0.00 0.22 0.30 0.28 0.02 0.00 0.00 177.57 178.39 1j8a h SER 236 N 1.18 0.72 -0.42 0.57 0.02 -1.86 -0.08 113.55 113.68 1j8a h SER 236 Ca 0.37 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 1j8a h SER 236 Cb -0.01 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1j8a h SER 236 CO -0.12 0.61 -0.05 -0.25 -1.14 0.00 0.00 176.83 175.89 1j8a h TRP 237 N 0.76 0.86 -0.22 3.45 7.01 -1.75 -1.42 115.95 124.64 1j8a h TRP 237 Ca 0.20 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1j8a h TRP 237 Cb 0.07 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 1j8a h TRP 237 CO -0.01 0.87 0.12 0.82 -2.79 0.00 0.00 178.44 177.45 1j8a h ILE 238 N 0.60 1.11 -0.51 2.65 2.04 -0.54 0.12 117.51 122.97 1j8a h ILE 238 Ca 0.11 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.62 1j8a h ILE 238 Cb 0.56 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1j8a h ILE 238 CO 0.03 0.10 0.04 0.11 0.00 0.00 0.00 178.15 178.43 1j8a h LYS 239 N 0.25 0.87 -0.13 2.37 1.57 -0.94 -0.87 116.57 119.69 1j8a h LYS 239 Ca 0.08 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.45 1j8a h LYS 239 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1j8a h LYS 239 CO -0.01 0.89 -0.54 -0.56 -0.57 0.00 0.00 179.45 178.65 1j8a h GLN 240 N 0.74 0.39 -0.27 3.15 -0.00 -1.15 -1.18 115.11 116.80 1j8a h GLN 240 Ca 0.15 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 1j8a h GLN 240 Cb 0.47 0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 1j8a h GLN 240 CO 0.02 0.83 0.06 1.15 -0.00 0.00 0.00 178.83 180.90 1j8a h THR 241 N 0.30 1.21 -0.69 1.86 2.02 -0.74 -2.66 112.91 114.22 1j8a h THR 241 Ca 0.01 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 1j8a h THR 241 Cb 1.05 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1j8a h THR 241 CO 0.09 0.23 0.28 0.40 0.37 0.00 0.00 175.52 176.90 1j8a h ILE 242 N 0.27 1.23 0.00 3.11 2.04 -1.05 -2.35 117.51 120.77 1j8a h ILE 242 Ca 0.08 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1j8a h ILE 242 Cb 0.29 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1j8a h ILE 242 CO 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 178.15 178.44 1j8a h ALA 243 N 1.31 1.00 0.00 1.87 0.00 -0.88 -2.95 119.26 119.62 1j8a h ALA 243 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j8a h ALA 243 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1j8a h ALA 243 CO -0.02 0.00 -0.00 0.43 0.00 0.00 0.00 179.25 179.66 1j8a n SER 244 N -3.09 2.04 0.00 0.00 7.64 -1.01 -5.09 113.62 114.11 1j8a n SER 244 Ca -0.01 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.64 1j8a n SER 244 Cb 0.17 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1j8a n SER 244 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62