#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xuh s VAL 17 N 0.00 5.19 -0.49 1.39 1.01 0.02 -4.14 120.40 123.38 1xuh s VAL 17 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1xuh s VAL 17 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1xuh s VAL 17 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1xuh n GLY 18 N 3.70 0.74 0.00 4.51 0.00 -1.25 -1.91 105.19 110.97 1xuh n GLY 18 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1xuh n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuh n GLY 19 N -2.40 1.62 3.12 -0.02 0.00 -1.26 -4.87 105.19 101.38 1xuh n GLY 19 Ca -0.05 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1xuh n GLY 19 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xuh s TYR 20 N 2.16 0.52 0.14 1.61 -0.85 -0.28 -4.93 117.35 115.72 1xuh s TYR 20 Ca 0.00 -1.02 -0.31 0.00 -0.52 0.00 0.00 57.07 55.22 1xuh s TYR 20 Cb 0.00 -0.35 -0.10 0.00 0.38 0.00 0.00 41.96 41.89 1xuh s TYR 20 CO 0.00 -0.44 1.71 0.99 -1.52 0.00 0.00 175.55 176.29 1xuh s THR 21 N -3.93 2.53 0.13 -3.49 2.01 -1.26 -0.72 115.64 110.90 1xuh s THR 21 Ca 0.10 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.20 1xuh s THR 21 Cb 0.07 -3.14 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 1xuh s THR 21 CO -0.08 0.01 1.45 0.00 -0.69 0.00 0.00 174.62 175.31 1xuh n GLY 23 N 0.15 2.86 3.67 0.00 0.00 -1.26 -4.79 105.19 105.81 1xuh n GLY 23 Ca -0.03 -1.39 -0.56 0.00 0.00 0.00 0.00 46.02 44.04 1xuh n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xuh n ALA 24 N 1.38 -0.57 -3.15 4.61 0.00 -1.26 -1.71 120.51 119.80 1xuh n ALA 24 Ca 0.00 0.44 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 1xuh n ALA 24 Cb 0.00 -2.16 -0.00 0.00 0.00 0.00 0.00 19.45 17.29 1xuh n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1xuh n ASN 25 N 4.28 -3.66 0.03 0.00 3.02 -1.26 -4.83 115.26 112.83 1xuh n ASN 25 Ca 0.24 -0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.67 1xuh n ASN 25 Cb 0.14 -3.05 0.36 0.00 -0.61 0.00 0.00 39.78 36.62 1xuh n ASN 25 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1xuh n THR 26 N -3.78 0.15 -3.55 3.41 -2.24 -0.69 -4.08 114.28 103.50 1xuh n THR 26 Ca -0.04 -0.09 -0.28 0.00 -2.27 0.00 0.00 64.05 61.37 1xuh n THR 26 Cb 0.55 -0.15 -0.09 0.00 -2.10 0.00 0.00 70.33 68.54 1xuh n THR 26 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xuh n VAL 27 N -1.72 2.30 0.50 2.28 0.31 -1.26 -4.96 118.33 115.78 1xuh n VAL 27 Ca 0.05 -5.15 0.07 0.00 -0.01 0.00 0.00 64.34 59.30 1xuh n VAL 27 Cb 0.37 -2.13 0.30 0.00 -0.91 0.00 0.00 33.84 31.47 1xuh n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1xuh n PRO 28 N 1.21 0.02 0.00 5.55 -0.04 -1.26 -2.05 135.00 138.43 1xuh n PRO 28 Ca 0.27 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1xuh n PRO 28 Cb 0.39 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.71 1xuh n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1xuh n TYR 29 N -1.48 0.00 -2.68 0.54 0.18 -1.21 -1.75 117.16 110.76 1xuh n TYR 29 Ca 0.04 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.41 1xuh n TYR 29 Cb 0.16 -0.06 -0.05 0.00 -0.38 0.00 0.00 39.34 39.00 1xuh n TYR 29 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1xuh s GLN 30 N -2.32 4.75 0.14 -3.48 2.00 -0.87 -1.27 119.66 118.61 1xuh s GLN 30 Ca 0.28 1.54 0.10 0.00 -2.00 0.00 0.00 55.36 55.29 1xuh s GLN 30 Cb 0.20 -3.30 -0.04 0.00 0.80 0.00 0.00 33.01 30.67 1xuh s GLN 30 CO 0.46 0.34 -0.25 0.08 -0.50 0.00 0.00 175.29 175.42 1xuh s VAL 31 N -0.70 2.17 -0.14 1.34 1.01 -0.93 -4.47 120.40 118.68 1xuh s VAL 31 Ca 0.44 -1.80 -0.01 0.00 0.00 0.00 0.00 61.98 60.61 1xuh s VAL 31 Cb -0.26 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.15 1xuh s VAL 31 CO 0.33 -0.01 -0.10 -0.55 0.00 0.00 0.00 175.10 174.77 1xuh s SER 32 N -2.21 4.24 -0.16 3.32 0.15 -0.02 -3.03 113.70 115.99 1xuh s SER 32 Ca 0.14 -0.27 -0.17 0.00 0.70 0.00 0.00 55.95 56.35 1xuh s SER 32 Cb -0.09 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1xuh s SER 32 CO 0.07 0.16 0.46 -0.76 1.20 0.00 0.00 173.24 174.37 1xuh s LEU 33 N 0.36 4.21 -0.05 3.45 1.43 -0.05 -0.74 118.68 127.30 1xuh s LEU 33 Ca -0.09 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.74 1xuh s LEU 33 Cb -0.15 -2.63 -0.00 0.00 0.03 0.00 0.00 46.19 43.43 1xuh s LEU 33 CO 0.05 -0.06 -0.19 0.21 0.23 0.00 0.00 176.35 176.59 1xuh s ASN 34 N 0.86 2.34 -0.40 2.29 3.84 0.52 -1.69 114.94 122.70 1xuh s ASN 34 Ca 0.23 -0.39 0.11 0.00 0.21 0.00 0.00 52.86 53.03 1xuh s ASN 34 Cb -0.15 -0.69 0.37 0.00 -0.55 0.00 0.00 41.25 40.24 1xuh s ASN 34 CO 0.09 0.16 0.84 -1.54 -2.79 0.00 0.00 177.10 173.86 1xuh n SER 37 N 3.16 1.89 0.00 -4.21 3.41 -1.26 -1.19 113.62 115.42 1xuh n SER 37 Ca -0.18 -3.12 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 1xuh n SER 37 Cb 0.53 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1xuh n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xuh n GLY 38 N 0.06 0.07 3.54 5.00 0.00 -1.26 -5.00 105.19 107.61 1xuh n GLY 38 Ca 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.19 1xuh n GLY 38 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xuh s TYR 39 N -2.00 -0.27 0.23 1.61 1.13 -1.26 -5.15 117.35 111.64 1xuh s TYR 39 Ca 0.00 0.15 -0.30 0.00 -1.41 0.00 0.00 57.07 55.51 1xuh s TYR 39 Cb 0.00 0.54 -0.09 0.00 -1.10 0.00 0.00 41.96 41.30 1xuh s TYR 39 CO 0.00 -0.46 1.36 -1.58 -2.51 0.00 0.00 175.55 172.35 1xuh s HIS 40 N -2.93 3.15 0.00 -3.49 5.65 -1.26 -4.26 115.29 112.16 1xuh s HIS 40 Ca 0.07 1.16 0.00 0.00 0.25 0.00 0.00 55.06 56.54 1xuh s HIS 40 Cb -0.01 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.70 1xuh s HIS 40 CO -0.07 -2.18 0.00 1.97 -0.65 0.00 0.00 174.74 173.81 1xuh n PHE 41 N 2.40 0.00 -3.56 3.88 -1.74 -0.68 -4.94 117.46 112.81 1xuh n PHE 41 Ca 0.06 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.84 1xuh n PHE 41 Cb 0.42 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 41.39 1xuh n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1xuh s GLY 43 N -2.79 1.78 0.22 0.00 0.00 0.92 -0.87 107.32 106.57 1xuh s GLY 43 Ca 0.03 -2.08 -0.20 0.00 0.00 0.00 0.00 44.72 42.47 1xuh s GLY 43 CO -0.10 -1.70 0.96 0.61 0.00 0.00 0.00 173.10 172.86 1xuh n GLY 44 N -2.21 0.69 2.86 0.20 0.00 -1.17 -3.75 105.19 101.82 1xuh n GLY 44 Ca 0.14 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1xuh n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xuh s SER 45 N -3.30 0.61 -0.12 1.61 0.01 -0.30 -2.19 113.70 110.02 1xuh s SER 45 Ca 0.21 -0.07 -0.27 0.00 1.31 0.00 0.00 55.95 57.13 1xuh s SER 45 Cb -0.03 -0.29 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 1xuh s SER 45 CO 0.06 -0.06 0.87 -0.22 0.41 0.00 0.00 173.24 174.30 1xuh s LEU 46 N 0.84 4.24 0.00 2.44 2.96 -0.40 -0.93 118.68 127.83 1xuh s LEU 46 Ca -0.09 1.32 0.13 0.00 -0.22 0.00 0.00 54.13 55.27 1xuh s LEU 46 Cb -0.13 -3.33 -0.08 0.00 0.50 0.00 0.00 46.19 43.16 1xuh s LEU 46 CO -0.01 -0.35 0.64 2.30 -1.32 0.00 0.00 176.35 177.61 1xuh n ILE 47 N 4.44 0.00 -3.61 6.68 -5.35 -0.38 -1.48 119.36 119.67 1xuh n ILE 47 Ca 0.05 -0.27 0.01 0.00 -0.27 0.00 0.00 62.75 62.27 1xuh n ILE 47 Cb 0.49 1.07 -0.01 0.00 -1.74 0.00 0.00 39.64 39.46 1xuh n ILE 47 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1xuh s ASN 48 N -1.96 -0.05 0.00 7.28 6.03 -1.19 -4.63 114.94 120.42 1xuh s ASN 48 Ca 0.08 -0.10 0.00 0.00 -1.03 0.00 0.00 52.86 51.81 1xuh s ASN 48 Cb 0.10 0.13 0.00 0.00 -3.03 0.00 0.00 41.25 38.45 1xuh s ASN 48 CO 0.44 -0.24 0.71 -1.54 -2.03 0.00 0.00 177.10 174.43 1xuh n SER 49 N -0.46 0.00 0.00 3.54 3.41 -1.26 -1.74 113.62 117.12 1xuh n SER 49 Ca -0.08 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1xuh n SER 49 Cb 0.63 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1xuh n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xuh n GLN 50 N -1.21 4.29 -4.28 4.33 6.02 -1.26 -0.05 117.38 125.23 1xuh n GLN 50 Ca 0.00 -0.08 -0.20 0.00 -0.01 0.00 0.00 57.00 56.71 1xuh n GLN 50 Cb 0.10 -0.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.70 1xuh n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1xuh s TRP 51 N -0.64 0.82 -0.01 1.08 0.52 -0.71 -0.24 118.94 119.76 1xuh s TRP 51 Ca 0.00 -0.21 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1xuh s TRP 51 Cb 0.00 -0.63 -0.02 0.00 -1.15 0.00 0.00 33.47 31.66 1xuh s TRP 51 CO 0.00 -0.13 -0.23 0.08 0.02 0.00 0.00 176.95 176.69 1xuh s VAL 52 N 0.46 2.30 -0.11 4.03 1.01 -0.07 -1.24 120.40 126.77 1xuh s VAL 52 Ca -0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 1xuh s VAL 52 Cb -0.10 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1xuh s VAL 52 CO 0.00 0.54 -0.05 0.54 0.00 0.00 0.00 175.10 176.14 1xuh s VAL 53 N -0.68 3.86 0.00 2.92 0.11 -0.10 -1.16 120.40 125.35 1xuh s VAL 53 Ca 0.11 -0.39 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 1xuh s VAL 53 Cb -0.10 -2.64 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1xuh s VAL 53 CO 0.00 0.55 0.00 -0.24 -3.33 0.00 0.00 175.10 172.08 1xuh n SER 54 N 2.83 0.00 -4.89 3.54 2.88 0.24 -1.15 113.62 117.08 1xuh n SER 54 Ca -0.18 -0.21 -0.32 0.00 -1.33 0.00 0.00 58.87 56.83 1xuh n SER 54 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1xuh n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xuh s ALA 55 N -1.98 3.78 0.38 -1.46 0.00 -1.26 -1.44 121.76 119.78 1xuh s ALA 55 Ca 0.00 -0.53 0.14 0.00 0.00 0.00 0.00 51.96 51.57 1xuh s ALA 55 Cb 0.00 -2.15 0.80 0.00 0.00 0.00 0.00 23.12 21.77 1xuh s ALA 55 CO 0.00 0.65 1.86 0.00 0.00 0.00 0.00 175.76 178.27 1xuh h ALA 56 N 3.09 1.42 0.00 0.00 0.00 -1.71 -1.42 119.26 120.63 1xuh h ALA 56 Ca -0.47 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1xuh h ALA 56 Cb 1.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xuh h ALA 56 CO 0.71 0.41 0.00 -2.39 0.00 0.00 0.00 179.25 177.98 1xuh n HIS 57 N -4.09 0.00 1.34 0.00 1.44 -1.26 -1.55 115.22 111.10 1xuh n HIS 57 Ca -0.02 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.82 1xuh n HIS 57 Cb 0.37 -0.40 0.43 0.00 0.12 0.00 0.00 29.99 30.51 1xuh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xuh n TYR 59 N -0.28 1.70 -3.73 0.00 9.36 -0.59 -4.99 117.16 118.62 1xuh n TYR 59 Ca 0.15 0.57 -0.10 0.00 3.32 0.00 0.00 57.90 61.84 1xuh n TYR 59 Cb 0.36 -2.36 -0.04 0.00 -0.63 0.00 0.00 39.34 36.67 1xuh n TYR 59 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 1xuh s LYS 60 N -0.58 1.30 -0.17 2.98 1.02 -1.26 -5.14 119.74 117.89 1xuh s LYS 60 Ca 0.69 -0.86 -0.08 0.00 0.02 0.00 0.00 55.97 55.74 1xuh s LYS 60 Cb -0.74 0.50 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1xuh s LYS 60 CO 0.52 -0.54 0.10 0.45 -0.92 0.00 0.00 175.35 174.97 1xuh s SER 61 N -2.87 5.99 0.00 2.83 0.15 -1.26 -4.58 113.70 113.97 1xuh s SER 61 Ca 0.09 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.96 1xuh s SER 61 Cb -0.00 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1xuh s SER 61 CO -0.04 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1xuh n GLY 62 N 3.15 1.82 3.75 9.45 0.00 -1.26 -5.08 105.19 117.02 1xuh n GLY 62 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1xuh n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xuh s ILE 63 N -2.00 4.07 -0.10 -0.61 1.01 -1.26 -4.57 121.20 117.74 1xuh s ILE 63 Ca 0.00 2.05 0.04 0.00 0.00 0.00 0.00 60.65 62.74 1xuh s ILE 63 Cb 0.00 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1xuh s ILE 63 CO 0.00 0.47 -0.24 -1.58 0.00 0.00 0.00 174.94 173.60 1xuh s GLN 64 N -1.08 3.05 -0.21 2.79 0.74 -0.33 -2.85 119.66 121.76 1xuh s GLN 64 Ca 0.42 -0.88 -0.15 0.00 0.05 0.00 0.00 55.36 54.80 1xuh s GLN 64 Cb -0.26 -2.32 -0.04 0.00 1.10 0.00 0.00 33.01 31.49 1xuh s GLN 64 CO 0.32 0.16 0.37 0.08 -0.55 0.00 0.00 175.29 175.67 1xuh s VAL 65 N 0.39 5.21 -0.32 1.34 1.01 0.71 -0.35 120.40 128.40 1xuh s VAL 65 Ca -0.18 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1xuh s VAL 65 Cb -0.18 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1xuh s VAL 65 CO 0.08 0.25 0.05 -0.13 0.00 0.00 0.00 175.10 175.35 1xuh s ARG 66 N 1.36 2.56 0.23 2.72 0.52 0.08 -1.11 118.95 125.31 1xuh s ARG 66 Ca 0.17 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.23 1xuh s ARG 66 Cb -0.15 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 1xuh s ARG 66 CO 0.08 -0.63 0.33 -0.51 0.02 0.00 0.00 175.30 174.59 1xuh s LEU 67 N 1.34 4.27 -0.87 2.53 1.43 -0.35 -0.84 118.68 126.20 1xuh s LEU 67 Ca -0.03 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 1xuh s LEU 67 Cb -0.19 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1xuh s LEU 67 CO 0.01 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1xuh n GLY 69 N -1.26 0.99 3.76 -3.19 0.00 -1.26 -1.40 105.19 102.82 1xuh n GLY 69 Ca -0.09 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1xuh n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xuh s GLU 70 N -2.49 4.61 0.00 1.61 0.41 -1.26 -3.76 118.70 117.82 1xuh s GLU 70 Ca 0.00 1.22 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1xuh s GLU 70 Cb 0.00 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1xuh s GLU 70 CO 0.00 0.43 0.00 -3.47 -0.49 0.00 0.00 175.26 171.73 1xuh n ASP 71 N 2.11 0.00 -4.62 -0.19 2.03 -1.26 -4.50 116.55 110.12 1xuh n ASP 71 Ca -0.03 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.86 1xuh n ASP 71 Cb 0.49 -0.08 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 1xuh n ASP 71 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1xuh s ASN 72 N -3.66 6.74 0.00 1.67 3.84 -1.25 -3.16 114.94 119.12 1xuh s ASN 72 Ca 0.00 0.77 0.23 0.00 0.21 0.00 0.00 52.86 54.07 1xuh s ASN 72 Cb 0.00 -2.44 1.37 0.00 -0.55 0.00 0.00 41.25 39.63 1xuh s ASN 72 CO 0.00 -0.69 1.77 2.30 -2.79 0.00 0.00 177.10 177.70 1xuh n ILE 73 N 5.62 0.00 0.32 -5.21 -5.35 0.03 -3.09 119.36 111.68 1xuh n ILE 73 Ca 0.06 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.57 1xuh n ILE 73 Cb 0.48 -0.55 -0.01 0.00 -1.74 0.00 0.00 39.64 37.81 1xuh n ILE 73 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1xuh n ASN 74 N -0.95 0.81 -4.08 7.28 3.02 -1.26 -4.96 115.26 115.11 1xuh n ASN 74 Ca 0.17 -0.90 -0.28 0.00 -0.03 0.00 0.00 54.58 53.54 1xuh n ASN 74 Cb 0.08 0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 39.71 1xuh n ASN 74 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xuh s VAL 75 N -1.27 1.47 -0.01 2.41 1.01 -1.18 -5.12 120.40 117.72 1xuh s VAL 75 Ca 0.05 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1xuh s VAL 75 Cb 0.06 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1xuh s VAL 75 CO 0.21 0.43 0.97 -0.69 0.00 0.00 0.00 175.10 176.02 1xuh s VAL 76 N 0.72 4.88 0.00 2.92 1.01 -1.26 -4.68 120.40 123.98 1xuh s VAL 76 Ca -0.12 2.03 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1xuh s VAL 76 Cb -0.16 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1xuh s VAL 76 CO 0.03 0.16 0.34 -0.62 0.00 0.00 0.00 175.10 175.01 1xuh n GLU 77 N 3.92 -0.54 0.00 2.72 1.02 -1.26 -5.00 120.64 121.50 1xuh n GLU 77 Ca 0.06 -0.35 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1xuh n GLU 77 Cb 0.51 -0.82 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1xuh n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xuh n GLY 78 N -0.01 2.25 0.87 0.62 0.00 -1.26 -5.00 105.19 102.66 1xuh n GLY 78 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1xuh n GLY 78 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xuh n ASN 79 N 0.00 3.40 -4.89 1.61 4.13 -1.26 -5.02 115.26 113.22 1xuh n ASN 79 Ca 0.00 -2.19 -0.30 0.00 1.68 0.00 0.00 54.58 53.77 1xuh n ASN 79 Cb 0.00 -0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 37.85 1xuh n ASN 79 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1xuh s GLU 80 N -1.34 3.70 -0.12 3.52 8.01 -1.25 -4.30 118.70 126.92 1xuh s GLU 80 Ca 0.32 0.10 -0.00 0.00 0.01 0.00 0.00 54.97 55.40 1xuh s GLU 80 Cb 0.19 -2.68 0.02 0.00 -4.31 0.00 0.00 34.13 27.36 1xuh s GLU 80 CO 0.18 0.30 -0.10 -0.65 0.01 0.00 0.00 175.26 175.00 1xuh s GLN 81 N -3.11 1.74 -0.26 1.61 -0.21 -0.49 -4.95 119.66 113.99 1xuh s GLN 81 Ca 0.45 -0.34 -0.10 0.00 0.02 0.00 0.00 55.36 55.39 1xuh s GLN 81 Cb -0.11 -1.71 -0.04 0.00 1.00 0.00 0.00 33.01 32.14 1xuh s GLN 81 CO 0.25 -0.24 0.15 -0.06 -2.12 0.00 0.00 175.29 173.27 1xuh s PHE 82 N 1.59 3.21 0.00 0.91 0.08 -1.26 -1.21 117.98 121.31 1xuh s PHE 82 Ca 0.04 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1xuh s PHE 82 Cb -0.13 -2.30 -0.00 0.00 -0.57 0.00 0.00 43.02 40.02 1xuh s PHE 82 CO -0.08 -0.14 -0.02 0.42 -0.10 0.00 0.00 175.22 175.30 1xuh s ILE 83 N 1.47 0.13 0.23 0.64 1.01 -0.26 -4.98 121.20 119.44 1xuh s ILE 83 Ca 0.07 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1xuh s ILE 83 Cb -0.15 -0.13 -0.06 0.00 0.01 0.00 0.00 42.46 42.12 1xuh s ILE 83 CO 0.07 -0.03 0.52 -0.44 0.00 0.00 0.00 174.94 175.06 1xuh s SER 84 N -0.22 6.54 0.13 3.58 0.01 -1.26 -0.21 113.70 122.27 1xuh s SER 84 Ca -0.01 0.79 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 1xuh s SER 84 Cb -0.02 -2.17 -0.07 0.00 0.21 0.00 0.00 66.02 63.97 1xuh s SER 84 CO -0.00 -0.09 1.11 0.00 0.41 0.00 0.00 173.24 174.67 1xuh s ALA 85 N -1.88 3.36 -0.13 1.44 0.00 -1.13 0.15 121.76 123.56 1xuh s ALA 85 Ca 0.45 0.80 0.17 0.00 0.00 0.00 0.00 51.96 53.38 1xuh s ALA 85 Cb -0.11 -3.37 -0.23 0.00 0.00 0.00 0.00 23.12 19.40 1xuh s ALA 85 CO 0.25 -0.27 0.40 -1.13 0.00 0.00 0.00 175.76 175.02 1xuh n SER 86 N 2.90 0.38 -3.60 0.00 3.41 0.67 -4.72 113.62 112.65 1xuh n SER 86 Ca 0.05 0.17 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 1xuh n SER 86 Cb 0.47 0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 65.05 1xuh n SER 86 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1xuh s LYS 87 N -2.72 0.99 -0.06 4.33 -2.85 -1.25 -5.01 119.74 113.18 1xuh s LYS 87 Ca -0.07 -0.22 0.02 0.00 -1.00 0.00 0.00 55.97 54.70 1xuh s LYS 87 Cb 0.08 0.45 0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1xuh s LYS 87 CO 0.83 -0.35 -0.12 -1.12 0.10 0.00 0.00 175.35 174.70 1xuh s SER 88 N -1.88 1.71 -0.28 0.03 0.01 -1.26 -1.43 113.70 110.61 1xuh s SER 88 Ca -0.06 -0.28 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1xuh s SER 88 Cb -0.01 -0.74 0.07 0.00 0.21 0.00 0.00 66.02 65.55 1xuh s SER 88 CO -0.01 0.04 -0.03 -0.63 0.41 0.00 0.00 173.24 173.03 1xuh s ILE 89 N 0.58 1.85 0.37 1.44 1.01 0.13 -4.99 121.20 121.59 1xuh s ILE 89 Ca -0.13 -1.66 -0.25 0.00 0.00 0.00 0.00 60.65 58.62 1xuh s ILE 89 Cb -0.15 -2.16 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1xuh s ILE 89 CO 0.03 -0.27 1.01 -0.69 0.00 0.00 0.00 174.94 175.02 1xuh s VAL 90 N 1.20 3.94 0.07 2.92 1.01 -1.26 -1.69 120.40 126.59 1xuh s VAL 90 Ca -0.01 1.52 -0.36 0.00 0.00 0.00 0.00 61.98 63.13 1xuh s VAL 90 Cb -0.19 -3.80 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 1xuh s VAL 90 CO -0.08 0.04 1.41 1.57 0.00 0.00 0.00 175.10 178.05 1xuh n HIS 91 N 0.15 1.69 -0.05 5.22 -0.00 -0.39 -4.84 115.22 117.00 1xuh n HIS 91 Ca 0.04 0.56 0.24 0.00 0.46 0.00 0.00 57.72 59.01 1xuh n HIS 91 Cb 0.50 -2.38 0.58 0.00 -0.12 0.00 0.00 29.99 28.56 1xuh n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xuh h PRO 92 N 5.03 0.00 0.00 1.57 0.13 -1.93 -2.36 132.00 134.44 1xuh h PRO 92 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xuh h PRO 92 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1xuh h PRO 92 CO 0.81 0.00 -0.22 0.43 -0.23 0.00 0.00 178.00 178.79 1xuh n SER 93 N -3.41 2.01 -4.73 1.44 7.64 -1.26 -5.03 113.62 110.29 1xuh n SER 93 Ca 0.15 -3.31 -0.42 0.00 1.01 0.00 0.00 58.87 56.30 1xuh n SER 93 Cb 1.09 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1xuh n SER 93 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xuh s TYR 94 N -2.84 3.03 -0.20 1.43 5.04 -0.89 -4.65 117.35 118.28 1xuh s TYR 94 Ca 0.33 0.71 -0.01 0.00 -2.44 0.00 0.00 57.07 55.66 1xuh s TYR 94 Cb 0.30 -3.92 0.01 0.00 0.35 0.00 0.00 41.96 38.70 1xuh s TYR 94 CO -0.01 -3.29 -0.13 1.21 -1.34 0.00 0.00 175.55 171.99 1xuh s ASN 95 N 0.94 3.68 0.09 4.32 3.84 -0.44 -4.97 114.94 122.40 1xuh s ASN 95 Ca 0.67 -0.54 0.28 0.00 0.21 0.00 0.00 52.86 53.48 1xuh s ASN 95 Cb -0.44 -1.60 1.05 0.00 -0.55 0.00 0.00 41.25 39.72 1xuh s ASN 95 CO 0.35 -0.01 1.86 -1.54 -2.79 0.00 0.00 177.10 174.97 1xuh n SER 96 N 4.70 0.35 0.11 -4.21 3.41 -1.26 -0.00 113.62 116.71 1xuh n SER 96 Ca -0.20 0.53 -0.24 0.00 -0.26 0.00 0.00 58.87 58.70 1xuh n SER 96 Cb 0.50 -0.62 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 1xuh n SER 96 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xuh h ASN 97 N 0.00 0.74 0.00 4.04 -0.26 -1.97 -3.38 115.58 114.75 1xuh h ASN 97 Ca 0.00 -0.92 0.00 0.00 -0.56 0.00 0.00 56.30 54.82 1xuh h ASN 97 Cb 0.60 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1xuh h ASN 97 CO 0.00 1.74 -1.65 0.35 -1.06 0.00 0.00 177.43 176.81 1xuh n THR 98 N -3.66 0.00 -2.86 2.81 -2.24 -1.19 -4.99 114.28 102.15 1xuh n THR 98 Ca -0.20 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.09 1xuh n THR 98 Cb 1.09 0.26 0.03 0.00 -2.10 0.00 0.00 70.33 69.61 1xuh n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1xuh n LEU 99 N -2.00 -2.44 -4.76 3.22 4.77 0.99 -5.00 117.00 111.78 1xuh n LEU 99 Ca -0.02 -0.22 -0.39 0.00 -0.03 0.00 0.00 56.01 55.35 1xuh n LEU 99 Cb 0.44 -1.93 -0.06 0.00 -2.33 0.00 0.00 43.42 39.55 1xuh n LEU 99 CO 0.39 0.23 0.28 0.21 -1.33 0.00 0.00 177.39 177.16 1xuh s ASN 100 N -2.97 6.93 -0.84 -1.43 3.04 -1.21 -3.64 114.94 114.81 1xuh s ASN 100 Ca 0.24 1.11 -0.03 0.00 0.04 0.00 0.00 52.86 54.22 1xuh s ASN 100 Cb -0.10 -2.35 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1xuh s ASN 100 CO 0.29 0.08 0.72 0.59 -3.04 0.00 0.00 177.10 175.74 1xuh n ASN 101 N 2.90 -3.28 -4.08 -4.21 4.13 -1.26 -1.32 115.26 108.14 1xuh n ASN 101 Ca -0.07 -0.39 -0.38 0.00 1.68 0.00 0.00 54.58 55.43 1xuh n ASN 101 Cb 0.51 -3.55 -0.05 0.00 -1.54 0.00 0.00 39.78 35.15 1xuh n ASN 101 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xuh n ASP 102 N -2.02 3.10 -3.65 6.41 2.03 -1.24 -4.32 116.55 116.86 1xuh n ASP 102 Ca -0.11 -2.73 -0.15 0.00 0.52 0.00 0.00 54.79 52.33 1xuh n ASP 102 Cb 0.58 -1.46 -0.08 0.00 -0.72 0.00 0.00 41.12 39.45 1xuh n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1xuh s ILE 103 N 6.94 0.02 -0.01 5.18 2.07 -1.26 -3.72 121.20 130.42 1xuh s ILE 103 Ca 0.60 -0.13 -0.16 0.00 -1.41 0.00 0.00 60.65 59.55 1xuh s ILE 103 Cb 0.08 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.89 1xuh s ILE 103 CO 0.10 -0.07 0.34 -0.32 -1.91 0.00 0.00 174.94 173.08 1xuh s MET 104 N -0.64 0.73 -0.05 3.50 -2.45 -0.52 -1.26 119.30 118.61 1xuh s MET 104 Ca -0.07 -0.20 0.06 0.00 -1.25 0.00 0.00 55.69 54.22 1xuh s MET 104 Cb -0.03 0.32 -0.01 0.00 1.25 0.00 0.00 34.83 36.36 1xuh s MET 104 CO 0.05 -0.21 -0.23 -0.51 1.05 0.00 0.00 175.02 175.16 1xuh s LEU 105 N -1.44 2.04 -0.06 4.11 1.02 -0.68 -0.59 118.68 123.08 1xuh s LEU 105 Ca -0.12 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 53.57 1xuh s LEU 105 Cb -0.04 -1.28 0.02 0.00 0.02 0.00 0.00 46.19 44.91 1xuh s LEU 105 CO 0.04 0.24 -0.06 -0.63 0.02 0.00 0.00 176.35 175.96 1xuh s ILE 106 N -0.20 0.70 -0.16 -0.59 1.01 -0.31 -0.69 121.20 120.96 1xuh s ILE 106 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 1xuh s ILE 106 Cb -0.13 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.57 1xuh s ILE 106 CO 0.03 0.28 0.22 -0.75 0.00 0.00 0.00 174.94 174.71 1xuh s LYS 107 N 1.20 4.06 0.31 2.79 2.20 -0.52 -0.89 119.74 128.89 1xuh s LYS 107 Ca -0.06 -0.03 -0.27 0.00 -0.36 0.00 0.00 55.97 55.24 1xuh s LYS 107 Cb -0.14 -3.37 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 1xuh s LYS 107 CO -0.02 0.39 1.00 -0.51 -0.36 0.00 0.00 175.35 175.85 1xuh s LEU 108 N 0.05 4.43 0.48 5.43 1.43 0.67 -0.24 118.68 130.93 1xuh s LEU 108 Ca 0.14 2.00 0.15 0.00 -1.03 0.00 0.00 54.13 55.39 1xuh s LEU 108 Cb -0.12 -3.86 1.13 0.00 0.03 0.00 0.00 46.19 43.37 1xuh s LEU 108 CO 0.03 -0.11 2.08 0.11 0.23 0.00 0.00 176.35 178.68 1xuh h LYS 109 N 3.43 0.02 -3.72 1.70 1.57 -0.58 -3.42 116.57 115.56 1xuh h LYS 109 Ca -0.47 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1xuh h LYS 109 Cb 1.20 -0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1xuh h LYS 109 CO 0.66 0.10 -0.62 -1.54 -0.57 0.00 0.00 179.45 177.48 1xuh s SER 110 N -7.03 0.09 0.35 0.86 1.04 -1.26 -5.01 113.70 102.75 1xuh s SER 110 Ca -0.05 -0.24 -0.29 0.00 0.48 0.00 0.00 55.95 55.85 1xuh s SER 110 Cb 0.16 0.15 -0.11 0.00 0.10 0.00 0.00 66.02 66.32 1xuh s SER 110 CO 0.68 -0.25 1.50 0.00 0.98 0.00 0.00 173.24 176.16 1xuh s ALA 111 N -1.06 3.61 0.74 5.32 0.00 -1.26 -4.87 121.76 124.25 1xuh s ALA 111 Ca -0.12 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 1xuh s ALA 111 Cb -0.07 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.48 1xuh s ALA 111 CO 0.00 -1.02 1.13 0.00 0.00 0.00 0.00 175.76 175.86 1xuh s ALA 112 N -0.85 2.20 -0.32 0.00 0.00 0.92 -5.00 121.76 118.72 1xuh s ALA 112 Ca 0.55 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 1xuh s ALA 112 Cb -0.47 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1xuh s ALA 112 CO 0.59 -1.75 0.45 -1.12 0.00 0.00 0.00 175.76 173.93 1xuh s SER 113 N -2.77 6.29 0.51 0.00 0.01 -1.26 -4.81 113.70 111.67 1xuh s SER 113 Ca 0.66 0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.86 1xuh s SER 113 Cb -0.21 -2.24 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 1xuh s SER 113 CO 0.49 -0.35 0.95 -0.76 0.41 0.00 0.00 173.24 173.99 1xuh s LEU 114 N 2.22 3.60 0.00 2.44 1.43 -1.26 -4.77 118.68 122.34 1xuh s LEU 114 Ca 0.17 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 1xuh s LEU 114 Cb -0.16 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.65 1xuh s LEU 114 CO 0.12 -0.60 0.00 -0.46 0.23 0.00 0.00 176.35 175.64 1xuh n ASN 115 N -1.72 0.00 -0.08 2.29 6.94 0.34 -4.96 115.26 118.07 1xuh n ASN 115 Ca 0.06 0.00 -0.06 0.00 -0.02 0.00 0.00 54.58 54.56 1xuh n ASN 115 Cb 0.54 0.00 0.13 0.00 -2.36 0.00 0.00 39.78 38.09 1xuh n ASN 115 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xuh h SER 116 N 0.00 0.73 0.35 0.53 0.02 -2.00 -3.28 113.55 109.90 1xuh h SER 116 Ca 0.00 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1xuh h SER 116 Cb 0.00 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.34 1xuh h SER 116 CO 0.00 0.88 -0.82 0.54 -1.14 0.00 0.00 176.83 176.29 1xuh n ARG 117 N -4.16 0.11 -3.83 3.45 1.74 -1.26 -4.72 116.66 107.99 1xuh n ARG 117 Ca 0.01 -0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 1xuh n ARG 117 Cb 0.37 -1.53 -0.16 0.00 -1.02 0.00 0.00 32.46 30.11 1xuh n ARG 117 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xuh s VAL 118 N -3.07 0.87 0.03 1.55 1.01 -1.24 -4.21 120.40 115.34 1xuh s VAL 118 Ca 0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1xuh s VAL 118 Cb 0.16 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 1xuh s VAL 118 CO 0.78 -0.00 0.07 0.00 0.00 0.00 0.00 175.10 175.95 1xuh s ALA 119 N 1.72 -0.04 0.44 5.51 0.00 -0.72 -0.50 121.76 128.18 1xuh s ALA 119 Ca -0.00 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1xuh s ALA 119 Cb -0.16 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1xuh s ALA 119 CO -0.07 -0.28 0.63 -1.54 0.00 0.00 0.00 175.76 174.49 1xuh s SER 120 N -1.97 5.68 -0.04 0.00 1.04 -1.26 -3.33 113.70 113.82 1xuh s SER 120 Ca -0.07 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.35 1xuh s SER 120 Cb -0.03 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.95 1xuh s SER 120 CO -0.04 -0.76 -0.14 -0.51 0.98 0.00 0.00 173.24 172.77 1xuh s ILE 121 N -2.48 3.09 0.35 -1.02 1.10 -0.55 -4.89 121.20 116.81 1xuh s ILE 121 Ca 0.51 -0.77 -0.27 0.00 -0.51 0.00 0.00 60.65 59.61 1xuh s ILE 121 Cb -0.10 -2.23 -0.09 0.00 0.15 0.00 0.00 42.46 40.19 1xuh s ILE 121 CO 0.35 0.55 1.16 -0.44 -2.11 0.00 0.00 174.94 174.45 1xuh s SER 122 N -0.86 6.81 0.44 4.50 0.01 -1.26 -4.65 113.70 118.69 1xuh s SER 122 Ca 0.12 2.36 -0.20 0.00 1.31 0.00 0.00 55.95 59.54 1xuh s SER 122 Cb -0.11 -2.62 -0.10 0.00 0.21 0.00 0.00 66.02 63.40 1xuh s SER 122 CO 0.02 -0.47 0.95 -0.76 0.41 0.00 0.00 173.24 173.39 1xuh s LEU 123 N -2.07 3.89 0.50 2.44 1.43 -1.26 -0.37 118.68 123.23 1xuh s LEU 123 Ca 0.52 1.67 -0.21 0.00 -1.03 0.00 0.00 54.13 55.08 1xuh s LEU 123 Cb -0.32 -4.53 -0.07 0.00 0.03 0.00 0.00 46.19 41.30 1xuh s LEU 123 CO 0.41 -0.40 1.09 -2.16 0.23 0.00 0.00 176.35 175.52 1xuh s PRO 124 N -3.33 3.65 0.13 1.29 0.04 -1.26 -4.76 135.00 130.76 1xuh s PRO 124 Ca 0.61 1.52 0.23 0.00 0.04 0.00 0.00 61.00 63.40 1xuh s PRO 124 Cb -0.09 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.44 1xuh s PRO 124 CO 0.16 -0.58 1.12 0.25 0.04 0.00 0.00 177.00 177.99 1xuh n THR 125 N -0.97 0.41 -3.88 1.26 -2.24 -1.26 -4.94 114.28 102.66 1xuh n THR 125 Ca 0.10 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1xuh n THR 125 Cb 0.51 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1xuh n THR 125 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xuh s SER 127 N -4.61 -0.21 0.48 3.42 1.04 -1.26 -5.15 113.70 107.41 1xuh s SER 127 Ca 0.03 -0.69 -0.12 0.00 0.48 0.00 0.00 55.95 55.65 1xuh s SER 127 Cb 0.12 0.66 -0.06 0.00 0.10 0.00 0.00 66.02 66.84 1xuh s SER 127 CO 0.77 -1.23 0.88 0.00 0.98 0.00 0.00 173.24 174.64 1xuh s ALA 129 N -2.62 3.49 0.35 0.00 0.00 -1.26 -5.09 121.76 116.63 1xuh s ALA 129 Ca 0.54 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1xuh s ALA 129 Cb -0.10 -2.50 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1xuh s ALA 129 CO 0.36 0.21 0.62 -1.54 0.00 0.00 0.00 175.76 175.41 1xuh s SER 130 N -2.95 6.41 0.48 0.00 1.04 -1.26 -5.02 113.70 112.40 1xuh s SER 130 Ca 0.48 0.78 -0.22 0.00 0.48 0.00 0.00 55.95 57.47 1xuh s SER 130 Cb -0.11 -2.17 -0.09 0.00 0.10 0.00 0.00 66.02 63.75 1xuh s SER 130 CO 0.28 -0.30 0.90 0.00 0.98 0.00 0.00 173.24 175.09 1xuh n ALA 132 N -1.32 -0.12 0.00 5.32 0.00 -1.26 -1.54 120.51 121.58 1xuh n ALA 132 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xuh n ALA 132 Cb 0.54 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1xuh n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xuh n GLY 133 N 1.34 2.87 3.76 0.00 0.00 0.26 -4.94 105.19 108.48 1xuh n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xuh n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xuh s THR 134 N -1.90 2.05 0.07 2.61 2.01 -0.59 -4.65 115.64 115.25 1xuh s THR 134 Ca 0.00 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.82 1xuh s THR 134 Cb 0.00 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.42 1xuh s THR 134 CO 0.00 0.01 0.68 -1.10 -0.69 0.00 0.00 174.62 173.52 1xuh s GLN 135 N -1.14 4.40 0.15 4.92 -1.52 -1.26 -0.56 119.66 124.64 1xuh s GLN 135 Ca 0.59 0.93 0.03 0.00 -1.95 0.00 0.00 55.36 54.96 1xuh s GLN 135 Cb -0.47 -3.30 -0.04 0.00 -0.22 0.00 0.00 33.01 28.97 1xuh s GLN 135 CO 0.54 0.47 -0.06 0.00 -0.25 0.00 0.00 175.29 175.99 1xuh s LEU 137 N -3.15 2.71 0.02 0.00 2.96 -0.38 -1.05 118.68 119.78 1xuh s LEU 137 Ca 0.18 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 1xuh s LEU 137 Cb 0.04 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1xuh s LEU 137 CO 0.01 0.16 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.36 1xuh s ILE 138 N 0.40 2.56 -0.01 6.68 1.01 -0.18 -1.26 121.20 130.41 1xuh s ILE 138 Ca -0.10 -1.15 -0.17 0.00 0.00 0.00 0.00 60.65 59.23 1xuh s ILE 138 Cb -0.16 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.32 1xuh s ILE 138 CO 0.05 0.43 0.37 -0.94 0.00 0.00 0.00 174.94 174.85 1xuh s SER 139 N -1.14 -0.26 0.00 3.58 1.04 -1.24 -0.84 113.70 114.84 1xuh s SER 139 Ca 0.13 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1xuh s SER 139 Cb -0.10 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1xuh s SER 139 CO 0.03 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1xuh n GLY 140 N 1.13 -0.39 1.63 7.32 0.00 -0.51 -4.44 105.19 109.93 1xuh n GLY 140 Ca -0.21 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 1xuh n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xuh n TRP 141 N -0.19 1.95 -2.66 1.61 8.01 -1.26 -2.07 117.44 122.83 1xuh n TRP 141 Ca 0.00 -1.79 -0.23 0.00 -1.31 0.00 0.00 57.50 54.17 1xuh n TRP 141 Cb 0.00 -0.70 0.11 0.00 -2.01 0.00 0.00 31.31 28.71 1xuh n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1xuh s GLY 142 N -2.10 1.75 0.42 6.99 0.00 -1.26 -4.43 107.32 108.70 1xuh s GLY 142 Ca 0.50 -1.84 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 1xuh s GLY 142 CO 0.04 -1.27 0.85 -2.01 0.00 0.00 0.00 173.10 170.71 1xuh n ASN 143 N -2.77 0.51 -0.00 1.64 5.15 0.17 -2.59 115.26 117.38 1xuh n ASN 143 Ca 0.16 0.99 0.05 0.00 -0.60 0.00 0.00 54.58 55.18 1xuh n ASN 143 Cb 0.61 -1.27 -0.06 0.00 -0.53 0.00 0.00 39.78 38.53 1xuh n ASN 143 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1xuh n THR 144 N -0.63 0.00 -4.38 -0.44 -2.24 -0.49 0.38 114.28 106.47 1xuh n THR 144 Ca 0.10 -0.24 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1xuh n THR 144 Cb 0.39 0.96 -0.12 0.00 -2.10 0.00 0.00 70.33 69.46 1xuh n THR 144 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xuh s LYS 145 N -2.07 3.66 -0.03 -0.78 -0.14 -1.26 -4.25 119.74 114.87 1xuh s LYS 145 Ca 0.04 -0.52 -0.25 0.00 -1.36 0.00 0.00 55.97 53.87 1xuh s LYS 145 Cb 0.08 -2.92 -0.21 0.00 -1.68 0.00 0.00 37.83 33.11 1xuh s LYS 145 CO 0.45 0.22 1.20 0.66 -0.76 0.00 0.00 175.35 177.12 1xuh h SER 146 N 6.76 0.07 -4.10 2.83 4.64 -1.94 -3.38 113.55 118.44 1xuh h SER 146 Ca -0.31 -0.57 -0.68 0.00 -0.47 0.00 0.00 61.79 59.75 1xuh h SER 146 Cb 1.19 -0.02 -0.37 0.00 -0.31 0.00 0.00 62.40 62.89 1xuh h SER 146 CO 0.63 0.63 -0.46 -0.44 -0.87 0.00 0.00 176.83 176.32 1xuh s SER 147 N -5.87 5.02 0.00 4.97 0.01 -1.26 -4.57 113.70 112.00 1xuh s SER 147 Ca -0.16 -2.77 0.00 0.00 1.31 0.00 0.00 55.95 54.33 1xuh s SER 147 Cb 0.01 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.45 1xuh s SER 147 CO 0.69 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1xuh n GLY 148 N 3.56 0.98 2.88 3.44 0.00 -1.26 -5.11 105.19 109.68 1xuh n GLY 148 Ca 0.06 -2.04 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1xuh n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xuh s THR 149 N -1.03 0.55 -0.29 2.61 2.01 -1.26 -4.47 115.64 113.76 1xuh s THR 149 Ca 0.00 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 1xuh s THR 149 Cb 0.00 -0.59 0.16 0.00 0.01 0.00 0.00 72.50 72.07 1xuh s THR 149 CO 0.00 0.24 0.58 -0.55 -0.69 0.00 0.00 174.62 174.20 1xuh s SER 150 N 1.10 -1.07 -0.19 3.53 0.15 -1.26 -4.93 113.70 111.03 1xuh s SER 150 Ca -0.08 1.09 -0.14 0.00 0.70 0.00 0.00 55.95 57.51 1xuh s SER 150 Cb -0.14 2.06 -0.04 0.00 -1.71 0.00 0.00 66.02 66.19 1xuh s SER 150 CO -0.01 -0.25 0.31 -0.31 1.20 0.00 0.00 173.24 174.19 1xuh s TYR 151 N 2.83 3.40 0.62 3.44 1.51 -1.26 -1.40 117.35 126.48 1xuh s TYR 151 Ca 0.09 0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 56.55 1xuh s TYR 151 Cb -0.14 -2.40 -0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1xuh s TYR 151 CO -0.19 0.10 1.04 -1.25 -1.11 0.00 0.00 175.55 174.14 1xuh s PRO 152 N 0.93 3.35 -0.02 -1.71 0.04 -1.26 -5.01 135.00 131.31 1xuh s PRO 152 Ca 0.16 0.98 0.18 0.00 0.04 0.00 0.00 61.00 62.36 1xuh s PRO 152 Cb -0.14 -2.04 -0.27 0.00 0.04 0.00 0.00 34.50 32.09 1xuh s PRO 152 CO 0.06 -0.77 0.41 -0.25 0.04 0.00 0.00 177.00 176.48 1xuh n ASP 153 N -2.49 0.97 -4.76 6.66 8.00 -1.26 -4.89 116.55 118.79 1xuh n ASP 153 Ca 0.07 -0.06 -0.22 0.00 0.71 0.00 0.00 54.79 55.29 1xuh n ASP 153 Cb 0.54 1.75 -0.05 0.00 -0.02 0.00 0.00 41.12 43.33 1xuh n ASP 153 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1xuh s VAL 154 N -3.18 4.07 0.19 2.53 -7.23 -1.26 -0.79 120.40 114.73 1xuh s VAL 154 Ca -0.06 -1.58 -0.31 0.00 -1.81 0.00 0.00 61.98 58.22 1xuh s VAL 154 Cb 0.11 -3.19 -0.10 0.00 0.56 0.00 0.00 36.38 33.76 1xuh s VAL 154 CO 0.73 -0.35 1.54 -0.22 -0.31 0.00 0.00 175.10 176.49 1xuh s LEU 155 N -3.74 4.37 0.02 1.32 0.20 -1.19 -4.79 118.68 114.87 1xuh s LEU 155 Ca 0.32 2.64 0.01 0.00 0.69 0.00 0.00 54.13 57.79 1xuh s LEU 155 Cb -0.07 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 1xuh s LEU 155 CO 0.23 -0.80 0.05 -0.54 -0.29 0.00 0.00 176.35 175.00 1xuh s LYS 156 N 0.71 2.90 0.08 1.98 3.01 -0.88 -1.38 119.74 126.15 1xuh s LYS 156 Ca 0.67 -0.60 0.06 0.00 -1.01 0.00 0.00 55.97 55.10 1xuh s LYS 156 Cb -0.43 -2.74 -0.03 0.00 -1.01 0.00 0.00 37.83 33.61 1xuh s LYS 156 CO 0.35 0.61 -0.17 0.00 0.51 0.00 0.00 175.35 176.65 1xuh s LEU 158 N -1.70 0.60 -0.21 0.00 2.96 -0.02 -1.13 118.68 119.20 1xuh s LEU 158 Ca 0.02 0.40 -0.18 0.00 -0.22 0.00 0.00 54.13 54.16 1xuh s LEU 158 Cb -0.10 0.54 -0.03 0.00 0.50 0.00 0.00 46.19 47.10 1xuh s LEU 158 CO 0.03 -0.15 0.51 -0.54 -1.32 0.00 0.00 176.35 174.88 1xuh s LYS 159 N 1.17 4.18 -0.06 1.98 1.02 -1.26 -1.01 119.74 125.76 1xuh s LYS 159 Ca -0.09 0.39 -0.08 0.00 0.02 0.00 0.00 55.97 56.21 1xuh s LYS 159 Cb -0.11 -3.57 0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1xuh s LYS 159 CO -0.07 -0.16 0.22 0.00 -0.92 0.00 0.00 175.35 174.42 1xuh s ALA 160 N 1.68 -0.53 0.36 5.17 0.00 -0.22 -4.95 121.76 123.27 1xuh s ALA 160 Ca 0.23 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1xuh s ALA 160 Cb -0.15 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 1xuh s ALA 160 CO 0.09 -0.14 0.81 -1.25 0.00 0.00 0.00 175.76 175.28 1xuh s PRO 161 N -0.28 4.07 0.27 0.00 0.04 -1.26 -0.89 135.00 136.95 1xuh s PRO 161 Ca -0.04 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 1xuh s PRO 161 Cb -0.03 -2.34 -0.09 0.00 0.04 0.00 0.00 34.50 32.08 1xuh s PRO 161 CO 0.01 0.08 1.20 0.42 0.04 0.00 0.00 177.00 178.75 1xuh s ILE 162 N -2.07 3.25 0.19 0.56 1.01 0.27 -2.09 121.20 122.33 1xuh s ILE 162 Ca 0.57 1.18 0.05 0.00 0.00 0.00 0.00 60.65 62.45 1xuh s ILE 162 Cb -0.10 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1xuh s ILE 162 CO 0.17 0.25 0.24 -0.76 0.00 0.00 0.00 174.94 174.84 1xuh s LEU 163 N -1.14 4.07 0.40 2.97 1.43 -0.24 -0.57 118.68 125.61 1xuh s LEU 163 Ca 0.49 -0.02 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 1xuh s LEU 163 Cb -0.35 -2.64 -0.11 0.00 0.03 0.00 0.00 46.19 43.12 1xuh s LEU 163 CO 0.43 0.01 1.29 -1.54 0.23 0.00 0.00 176.35 176.78 1xuh n SER 164 N -0.79 2.70 0.09 2.29 3.41 -1.26 -4.64 113.62 115.43 1xuh n SER 164 Ca -0.08 1.14 0.04 0.00 -0.26 0.00 0.00 58.87 59.71 1xuh n SER 164 Cb 0.56 -1.51 0.45 0.00 -0.26 0.00 0.00 64.21 63.45 1xuh n SER 164 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xuh h ASP 165 N 2.27 0.29 -0.57 4.04 3.32 -1.97 -0.68 116.42 123.12 1xuh h ASP 165 Ca -0.48 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1xuh h ASP 165 Cb 1.29 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.74 1xuh h ASP 165 CO 0.61 0.29 0.33 0.77 -1.72 0.00 0.00 179.24 179.53 1xuh h SER 166 N 0.33 0.70 1.30 6.45 4.64 -1.98 0.18 113.55 125.17 1xuh h SER 166 Ca 0.08 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1xuh h SER 166 Cb 0.11 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xuh h SER 166 CO -0.01 0.57 -0.14 0.77 -0.87 0.00 0.00 176.83 177.15 1xuh h SER 167 N 0.77 0.00 0.01 4.97 4.64 -1.77 0.16 113.55 122.33 1xuh h SER 167 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1xuh h SER 167 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1xuh h SER 167 CO -0.04 0.14 -0.01 0.00 -0.87 0.00 0.00 176.83 176.06 1xuh h LYS 169 N -0.38 0.00 -0.06 0.00 1.57 -0.30 -2.30 116.57 115.10 1xuh h LYS 169 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 1xuh h LYS 169 Cb 0.37 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1xuh h LYS 169 CO 0.00 0.10 -0.92 0.77 -0.57 0.00 0.00 179.45 178.83 1xuh h SER 170 N 0.00 0.87 0.43 0.86 0.02 -0.76 -3.14 113.55 111.82 1xuh h SER 170 Ca -0.00 -0.64 -0.06 0.00 -0.84 0.00 0.00 61.79 60.24 1xuh h SER 170 Cb 0.83 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1xuh h SER 170 CO 0.01 1.44 -0.29 0.00 -1.14 0.00 0.00 176.83 176.85 1xuh h ALA 171 N 0.52 1.33 -2.37 3.77 0.00 -1.27 -3.35 119.26 117.88 1xuh h ALA 171 Ca -0.09 -0.27 -0.59 0.00 0.00 0.00 0.00 54.91 53.96 1xuh h ALA 171 Cb 1.56 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.90 1xuh h ALA 171 CO 0.18 0.37 -0.85 0.66 0.00 0.00 0.00 179.25 179.61 1xuh n TYR 172 N -3.92 1.10 -1.66 0.00 4.01 -1.03 -4.97 117.16 110.69 1xuh n TYR 172 Ca -0.02 -3.77 -0.48 0.00 -0.16 0.00 0.00 57.90 53.47 1xuh n TYR 172 Cb 0.37 -0.28 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 1xuh n TYR 172 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1xuh n PRO 173 N 1.80 1.98 -1.35 -0.72 -0.02 -1.19 -2.00 135.00 133.51 1xuh n PRO 173 Ca 0.25 0.72 -0.12 0.00 -2.02 0.00 0.00 63.50 62.33 1xuh n PRO 173 Cb 0.45 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 1xuh n PRO 173 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xuh n GLY 174 N 3.62 1.21 0.00 -1.23 0.00 -1.26 -4.81 105.19 102.72 1xuh n GLY 174 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.16 1xuh n GLY 174 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xuh n GLN 175 N -1.46 0.50 -2.87 1.61 6.02 -0.85 -4.99 117.38 115.34 1xuh n GLN 175 Ca -0.12 -0.07 -0.41 0.00 -0.01 0.00 0.00 57.00 56.39 1xuh n GLN 175 Cb 0.55 -1.17 -0.05 0.00 1.02 0.00 0.00 30.24 30.59 1xuh n GLN 175 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xuh s ILE 176 N -2.51 4.69 0.55 5.09 -1.09 -1.25 -5.04 121.20 121.64 1xuh s ILE 176 Ca -0.03 1.82 0.04 0.00 -2.23 0.00 0.00 60.65 60.26 1xuh s ILE 176 Cb 0.05 -4.21 0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1xuh s ILE 176 CO 0.34 0.32 0.34 0.42 -1.23 0.00 0.00 174.94 175.12 1xuh s THR 177 N 0.15 1.47 0.54 2.92 -4.23 -1.26 -5.00 115.64 110.24 1xuh s THR 177 Ca 0.43 -1.59 0.40 0.00 -1.18 0.00 0.00 61.69 59.75 1xuh s THR 177 Cb -0.21 -2.06 0.42 0.00 1.34 0.00 0.00 72.50 71.98 1xuh s THR 177 CO 0.26 0.00 2.27 0.77 -0.54 0.00 0.00 174.62 177.38 1xuh h SER 178 N 0.82 0.00 -0.53 3.99 4.64 -2.03 -2.78 113.55 117.65 1xuh h SER 178 Ca -0.38 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 1xuh h SER 178 Cb 1.31 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 1xuh h SER 178 CO 0.60 0.01 0.17 0.59 -0.87 0.00 0.00 176.83 177.33 1xuh n ASN 179 N -3.21 4.18 -3.94 4.97 3.02 -1.26 -4.90 115.26 114.12 1xuh n ASN 179 Ca -0.02 -2.86 -0.12 0.00 -0.03 0.00 0.00 54.58 51.54 1xuh n ASN 179 Cb 0.13 -0.68 -0.13 0.00 -0.61 0.00 0.00 39.78 38.49 1xuh n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1xuh s MET 180 N -2.35 0.24 0.10 3.52 -1.94 -1.05 -1.56 119.30 116.27 1xuh s MET 180 Ca 0.41 -0.29 0.00 0.00 -1.71 0.00 0.00 55.69 54.10 1xuh s MET 180 Cb 0.32 -0.11 -0.04 0.00 2.01 0.00 0.00 34.83 37.02 1xuh s MET 180 CO 0.10 0.02 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.53 1xuh s PHE 181 N -0.56 0.84 0.00 -0.03 -0.12 -0.63 -4.82 117.98 112.66 1xuh s PHE 181 Ca -0.05 -1.04 -0.01 0.00 -0.05 0.00 0.00 56.93 55.77 1xuh s PHE 181 Cb -0.04 -0.50 -0.04 0.00 -0.63 0.00 0.00 43.02 41.80 1xuh s PHE 181 CO -0.00 -0.30 0.14 0.00 -0.05 0.00 0.00 175.22 175.01 1xuh s ALA 183 N -1.29 -0.69 0.00 0.00 0.00 -0.98 -1.07 121.76 117.73 1xuh s ALA 183 Ca 0.26 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1xuh s ALA 183 Cb -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1xuh s ALA 183 CO 0.18 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.20 1xuh n GLY 184 N 3.24 0.26 2.86 0.00 0.00 -0.89 -2.90 105.19 107.76 1xuh n GLY 184 Ca -0.16 -1.35 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 1xuh n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xuh s TYR 184 N -3.65 1.01 0.28 1.61 2.02 -1.26 -4.37 117.35 112.99 1xuh s TYR 184 Ca 0.00 -0.39 0.22 0.00 -0.37 0.00 0.00 57.07 56.53 1xuh s TYR 184 Cb 0.00 -0.94 1.03 0.00 -0.40 0.00 0.00 41.96 41.66 1xuh s TYR 184 CO 0.00 -0.36 1.90 -0.07 -1.57 0.00 0.00 175.55 175.45 1xuh h LEU 185 N 7.95 0.00 0.00 -1.29 3.38 -1.94 -1.34 115.31 122.07 1xuh h LEU 185 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xuh h LEU 185 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1xuh h LEU 185 CO 0.37 0.24 0.00 -1.84 0.09 0.00 0.00 178.44 177.30 1xuh n GLU 186 N -3.63 0.53 0.00 1.13 0.28 -1.26 0.62 120.64 118.31 1xuh n GLU 186 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1xuh n GLU 186 Cb 0.37 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.76 1xuh n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xuh n GLY 187 N 0.06 -0.39 4.08 -1.84 0.00 -0.51 -4.50 105.19 102.09 1xuh n GLY 187 Ca 0.12 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1xuh n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xuh n GLY 188 N 0.00 2.39 2.82 -0.02 0.00 0.15 -4.81 105.19 105.73 1xuh n GLY 188 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xuh n GLY 188 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuh s LYS 188 N 0.00 0.54 -0.10 1.61 1.02 -1.26 -3.83 119.74 117.72 1xuh s LYS 188 Ca 0.00 0.05 -0.32 0.00 0.02 0.00 0.00 55.97 55.71 1xuh s LYS 188 Cb 0.00 -0.75 0.12 0.00 -0.52 0.00 0.00 37.83 36.68 1xuh s LYS 188 CO 0.00 -0.18 1.13 0.34 -0.92 0.00 0.00 175.35 175.71 1xuh s ASP 189 N 1.36 -0.18 1.04 2.83 2.15 -0.80 -4.20 116.67 118.87 1xuh s ASP 189 Ca -0.05 -0.04 -0.15 0.00 0.43 0.00 0.00 52.55 52.74 1xuh s ASP 189 Cb -0.13 0.23 0.21 0.00 -0.30 0.00 0.00 42.92 42.92 1xuh s ASP 189 CO -0.02 -0.38 1.14 -0.94 -0.17 0.00 0.00 175.17 174.80 1xuh s SER 190 N -2.41 2.33 0.25 -0.34 1.04 -1.26 -0.80 113.70 112.51 1xuh s SER 190 Ca 0.09 0.82 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 1xuh s SER 190 Cb -0.00 -1.24 0.04 0.00 0.10 0.00 0.00 66.02 64.91 1xuh s SER 190 CO -0.05 -3.27 0.49 0.00 0.98 0.00 0.00 173.24 171.39 1xuh s GLN 192 N -2.07 4.16 0.00 0.00 0.74 -1.26 -1.87 119.66 119.37 1xuh s GLN 192 Ca 0.10 2.02 0.00 0.00 0.05 0.00 0.00 55.36 57.53 1xuh s GLN 192 Cb -0.03 -2.85 0.00 0.00 1.10 0.00 0.00 33.01 31.23 1xuh s GLN 192 CO 0.08 -0.28 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 1xuh n GLY 193 N 0.74 3.42 0.07 2.59 0.00 -1.26 -0.66 105.19 110.09 1xuh n GLY 193 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1xuh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xuh n ASP 194 N 0.00 0.66 -3.27 1.61 8.00 -0.78 -4.03 116.55 118.74 1xuh n ASP 194 Ca 0.00 0.07 -0.44 0.00 0.71 0.00 0.00 54.79 55.13 1xuh n ASP 194 Cb 0.00 0.65 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 1xuh n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1xuh n SER 195 N -2.27 0.25 0.00 -2.24 7.64 -1.25 -0.64 113.62 115.11 1xuh n SER 195 Ca 0.01 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1xuh n SER 195 Cb 0.49 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1xuh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuh n GLY 196 N 1.60 2.04 3.89 0.23 0.00 -0.27 -0.05 105.19 112.62 1xuh n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1xuh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xuh s GLY 197 N -1.97 1.68 0.35 -0.02 0.00 0.19 -3.23 107.32 104.33 1xuh s GLY 197 Ca 0.00 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.55 1xuh s GLY 197 CO 0.00 -0.27 0.95 2.56 0.00 0.00 0.00 173.10 176.35 1xuh s PRO 198 N -5.69 4.47 -0.19 2.90 0.04 -1.26 -1.38 135.00 133.88 1xuh s PRO 198 Ca 0.68 1.29 0.00 0.00 0.04 0.00 0.00 61.00 63.02 1xuh s PRO 198 Cb -0.08 -2.63 0.05 0.00 0.04 0.00 0.00 34.50 31.88 1xuh s PRO 198 CO 0.52 0.17 -0.08 0.08 0.04 0.00 0.00 177.00 177.73 1xuh s VAL 199 N -1.76 1.44 -0.15 -0.36 1.01 -0.75 -3.64 120.40 116.18 1xuh s VAL 199 Ca 0.54 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.60 1xuh s VAL 199 Cb -0.16 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.63 1xuh s VAL 199 CO 0.21 0.10 -0.16 -0.69 0.00 0.00 0.00 175.10 174.57 1xuh s VAL 200 N 1.48 2.58 -0.09 2.92 1.01 -0.39 -1.18 120.40 126.74 1xuh s VAL 200 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1xuh s VAL 200 Cb -0.16 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1xuh s VAL 200 CO -0.08 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1xuh n SER 202 N 4.64 -5.16 -0.13 0.00 7.64 -1.26 -2.69 113.62 116.67 1xuh n SER 202 Ca -0.15 -0.69 -0.02 0.00 1.01 0.00 0.00 58.87 59.02 1xuh n SER 202 Cb 0.50 -4.35 -0.01 0.00 -1.01 0.00 0.00 64.21 59.35 1xuh n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xuh n GLY 203 N -1.79 0.50 3.28 0.23 0.00 -1.26 -5.01 105.19 101.13 1xuh n GLY 203 Ca 0.01 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 1xuh n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xuh s LYS 204 N -1.11 1.14 -0.58 1.61 -0.14 -1.10 -4.19 119.74 115.37 1xuh s LYS 204 Ca 0.00 -1.30 -0.27 0.00 -1.36 0.00 0.00 55.97 53.04 1xuh s LYS 204 Cb 0.00 -1.13 0.03 0.00 -1.68 0.00 0.00 37.83 35.06 1xuh s LYS 204 CO 0.00 0.23 1.12 -1.17 -0.76 0.00 0.00 175.35 174.77 1xuh s LEU 209 N -2.49 3.63 -0.02 3.17 2.96 0.50 -1.83 118.68 124.60 1xuh s LEU 209 Ca 0.11 -0.05 0.19 0.00 -0.22 0.00 0.00 54.13 54.16 1xuh s LEU 209 Cb -0.06 -3.04 -0.28 0.00 0.50 0.00 0.00 46.19 43.31 1xuh s LEU 209 CO 0.05 -1.42 0.49 0.00 -1.32 0.00 0.00 176.35 174.14 1xuh n GLN 210 N 8.19 0.62 -3.97 1.98 1.13 -0.32 -4.11 117.38 120.90 1xuh n GLN 210 Ca 0.06 -0.15 -0.08 0.00 -1.94 0.00 0.00 57.00 54.89 1xuh n GLN 210 Cb 0.49 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.30 1xuh n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1xuh s GLY 211 N -3.98 0.33 -0.07 1.08 0.00 -0.83 -1.98 107.32 101.87 1xuh s GLY 211 Ca -0.05 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.78 1xuh s GLY 211 CO 0.80 -1.03 -0.12 -0.42 0.00 0.00 0.00 173.10 172.33 1xuh s ILE 212 N -3.91 1.14 -0.17 0.90 1.01 -1.06 -1.82 121.20 117.30 1xuh s ILE 212 Ca 0.08 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1xuh s ILE 212 Cb 0.06 -1.06 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 1xuh s ILE 212 CO -0.09 0.36 2.15 0.52 0.00 0.00 0.00 174.94 177.88 1xuh n VAL 213 N 3.96 0.43 0.01 2.92 0.31 -0.48 -1.16 118.33 124.32 1xuh n VAL 213 Ca -0.22 -0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 63.76 1xuh n VAL 213 Cb 0.51 -2.36 -0.00 0.00 -0.91 0.00 0.00 33.84 31.08 1xuh n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1xuh n SER 214 N 10.29 0.50 -3.76 4.52 2.88 -1.02 -1.12 113.62 125.91 1xuh n SER 214 Ca 0.29 0.07 -0.07 0.00 -1.33 0.00 0.00 58.87 57.83 1xuh n SER 214 Cb 0.40 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.63 1xuh n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1xuh s TRP 215 N -1.46 -0.15 0.00 0.66 1.48 -0.64 -4.94 118.94 113.89 1xuh s TRP 215 Ca -0.02 -0.31 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 1xuh s TRP 215 Cb 0.00 0.71 0.00 0.00 -1.16 0.00 0.00 33.47 33.03 1xuh s TRP 215 CO 0.03 -1.23 0.00 0.41 -4.06 0.00 0.00 176.95 172.11 1xuh n GLY 216 N -0.47 2.09 2.91 3.67 0.00 -1.26 0.39 105.19 112.53 1xuh n GLY 216 Ca -0.05 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1xuh n GLY 216 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xuh s SER 217 N 2.00 3.83 0.76 1.61 0.15 -1.26 -5.01 113.70 115.78 1xuh s SER 217 Ca 0.00 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.43 1xuh s SER 217 Cb 0.00 -1.13 0.00 0.00 -1.71 0.00 0.00 66.02 63.18 1xuh s SER 217 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1xuh n GLY 219 N 4.69 1.77 2.98 9.45 0.00 -1.26 -4.50 105.19 118.32 1xuh n GLY 219 Ca -0.10 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1xuh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xuh n ALA 221 N 4.51 -0.17 -1.77 0.00 0.00 -1.26 -4.58 120.51 117.24 1xuh n ALA 221 Ca -0.21 0.18 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 1xuh n ALA 221 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1xuh n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xuh s GLN 221 N -2.83 3.43 0.22 0.00 -1.52 -1.26 -0.67 119.66 117.02 1xuh s GLN 221 Ca 0.00 1.67 -0.30 0.00 -1.95 0.00 0.00 55.36 54.78 1xuh s GLN 221 Cb 0.00 -2.10 -0.09 0.00 -0.22 0.00 0.00 33.01 30.60 1xuh s GLN 221 CO 0.00 -0.80 1.39 0.21 -0.25 0.00 0.00 175.29 175.84 1xuh s LYS 222 N -3.14 4.32 0.00 2.91 2.20 -1.26 -2.75 119.74 122.01 1xuh s LYS 222 Ca 0.71 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 1xuh s LYS 222 Cb -0.25 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1xuh s LYS 222 CO 0.29 -0.37 0.00 0.09 -0.36 0.00 0.00 175.35 175.01 1xuh n ASN 223 N 2.65 -3.21 -3.61 1.43 3.02 0.20 -4.89 115.26 110.86 1xuh n ASN 223 Ca 0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.35 1xuh n ASN 223 Cb 0.41 -1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 38.00 1xuh n ASN 223 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1xuh n LYS 224 N -1.60 1.91 -1.07 3.52 4.76 -1.11 -4.69 118.16 119.88 1xuh n LYS 224 Ca 0.00 -4.36 -0.29 0.00 -2.87 0.00 0.00 58.31 50.79 1xuh n LYS 224 Cb 0.15 -2.14 0.20 0.00 -1.84 0.00 0.00 35.03 31.39 1xuh n LYS 224 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1xuh s PRO 225 N -1.75 -0.02 0.43 1.97 0.04 -1.26 -4.35 135.00 130.06 1xuh s PRO 225 Ca 0.33 0.48 -0.22 0.00 0.04 0.00 0.00 61.00 61.62 1xuh s PRO 225 Cb 0.06 -1.69 -0.10 0.00 0.04 0.00 0.00 34.50 32.82 1xuh s PRO 225 CO -0.10 -3.03 1.00 0.20 0.04 0.00 0.00 177.00 175.11 1xuh s GLY 226 N -3.36 2.53 -0.04 0.56 0.00 -1.14 -4.46 107.32 101.40 1xuh s GLY 226 Ca 0.66 0.54 0.01 0.00 0.00 0.00 0.00 44.72 45.93 1xuh s GLY 226 CO 0.58 0.87 -0.04 0.14 0.00 0.00 0.00 173.10 174.65 1xuh s VAL 227 N -1.96 3.87 0.01 1.40 1.01 0.16 -2.31 120.40 122.58 1xuh s VAL 227 Ca 0.62 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1xuh s VAL 227 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1xuh s VAL 227 CO 0.19 0.52 -0.08 -0.31 0.00 0.00 0.00 175.10 175.42 1xuh s TYR 228 N -0.91 0.69 0.18 5.22 1.51 0.09 -1.61 117.35 122.52 1xuh s TYR 228 Ca 0.15 -0.24 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 1xuh s TYR 228 Cb -0.11 -0.43 -0.08 0.00 -0.11 0.00 0.00 41.96 41.23 1xuh s TYR 228 CO 0.04 -0.02 1.24 0.99 -1.11 0.00 0.00 175.55 176.69 1xuh s THR 229 N -0.54 3.46 -0.99 -0.71 2.01 -0.31 -1.60 115.64 116.96 1xuh s THR 229 Ca -0.01 1.20 -0.17 0.00 0.31 0.00 0.00 61.69 63.02 1xuh s THR 229 Cb -0.05 -3.77 0.15 0.00 0.01 0.00 0.00 72.50 68.84 1xuh s THR 229 CO 0.00 0.18 1.17 -0.75 -0.69 0.00 0.00 174.62 174.54 1xuh s LYS 230 N -0.09 3.72 0.36 4.92 2.20 -0.60 -2.55 119.74 127.70 1xuh s LYS 230 Ca 0.55 -2.00 0.08 0.00 -0.36 0.00 0.00 55.97 54.24 1xuh s LYS 230 Cb -0.34 -4.92 0.80 0.00 -1.51 0.00 0.00 37.83 31.86 1xuh s LYS 230 CO 0.37 -1.74 1.91 0.28 -0.36 0.00 0.00 175.35 175.81 1xuh h VAL 231 N 5.49 0.91 -0.24 4.02 2.07 -1.70 -1.84 116.25 124.96 1xuh h VAL 231 Ca 0.19 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.54 1xuh h VAL 231 Cb 0.99 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1xuh h VAL 231 CO 1.12 0.13 0.31 0.00 0.02 0.00 0.00 177.57 179.15 1xuh n ASN 233 N -3.58 0.00 -0.08 0.00 3.02 -0.69 -3.80 115.26 110.13 1xuh n ASN 233 Ca 0.03 0.45 0.01 0.00 -0.03 0.00 0.00 54.58 55.04 1xuh n ASN 233 Cb 0.44 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1xuh n ASN 233 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1xuh n TYR 234 N -1.48 0.00 -0.34 3.10 4.01 0.80 -4.71 117.16 118.54 1xuh n TYR 234 Ca 0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.88 1xuh n TYR 234 Cb 0.22 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.51 1xuh n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1xuh h VAL 235 N 0.38 0.79 -0.13 -0.72 2.07 -1.64 0.12 116.25 117.12 1xuh h VAL 235 Ca 0.00 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1xuh h VAL 235 Cb 0.10 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1xuh h VAL 235 CO 0.00 0.15 0.03 -1.28 0.02 0.00 0.00 177.57 176.49 1xuh h SER 236 N 0.81 0.20 -0.43 0.57 0.87 -1.88 0.14 113.55 113.83 1xuh h SER 236 Ca 0.52 -0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.81 1xuh h SER 236 Cb 0.69 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1xuh h SER 236 CO -0.33 0.39 0.15 -0.25 -0.53 0.00 0.00 176.83 176.25 1xuh h TRP 237 N 0.01 0.74 0.49 2.24 7.01 -1.61 -1.21 115.95 123.62 1xuh h TRP 237 Ca 0.04 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1xuh h TRP 237 Cb 0.26 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1xuh h TRP 237 CO 0.01 0.61 -0.24 0.82 -2.79 0.00 0.00 178.44 176.85 1xuh h ILE 238 N 0.71 0.18 -0.71 2.65 2.04 -0.48 -1.62 117.51 120.28 1xuh h ILE 238 Ca 0.16 -0.52 0.16 0.00 1.00 0.00 0.00 64.86 65.66 1xuh h ILE 238 Cb 0.22 0.28 -0.12 0.00 -0.74 0.00 0.00 36.82 36.45 1xuh h ILE 238 CO -0.01 0.04 0.00 0.11 0.00 0.00 0.00 178.15 178.29 1xuh h LYS 239 N -1.10 0.11 -0.36 2.37 1.57 -0.90 -0.83 116.57 117.42 1xuh h LYS 239 Ca -0.07 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1xuh h LYS 239 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1xuh h LYS 239 CO 0.11 0.07 -0.03 0.37 -0.57 0.00 0.00 179.45 179.40 1xuh h GLN 240 N 0.11 0.67 -0.41 3.15 4.15 -1.26 -2.65 115.11 118.86 1xuh h GLN 240 Ca 0.38 -0.23 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 1xuh h GLN 240 Cb 0.66 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1xuh h GLN 240 CO -0.62 0.79 -0.01 1.15 -1.93 0.00 0.00 178.83 178.21 1xuh h THR 241 N 0.47 1.26 -0.30 2.39 2.02 -0.75 -2.82 112.91 115.19 1xuh h THR 241 Ca 0.10 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 1xuh h THR 241 Cb 0.52 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1xuh h THR 241 CO 0.03 0.35 -0.13 0.16 0.37 0.00 0.00 175.52 176.30 1xuh h ILE 242 N 0.57 1.23 0.00 3.11 3.07 -1.19 -2.52 117.51 121.78 1xuh h ILE 242 Ca 0.12 -1.04 -0.08 0.00 1.55 0.00 0.00 64.86 65.41 1xuh h ILE 242 Cb 0.50 1.15 -0.01 0.00 -0.27 0.00 0.00 36.82 38.18 1xuh h ILE 242 CO 0.02 0.34 -0.38 0.00 -1.05 0.00 0.00 178.15 177.08 1xuh h ALA 243 N 1.39 0.98 -0.51 0.16 0.00 -1.42 -3.20 119.26 116.66 1xuh h ALA 243 Ca 0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 1xuh h ALA 243 Cb 0.51 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.07 1xuh h ALA 243 CO 0.03 0.47 0.07 -1.13 0.00 0.00 0.00 179.25 178.69 1xuh n SER 244 N -3.52 2.88 0.00 0.00 3.41 -0.96 -5.11 113.62 110.32 1xuh n SER 244 Ca -0.00 -3.76 0.00 0.00 -0.26 0.00 0.00 58.87 54.85 1xuh n SER 244 Cb 0.52 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1xuh n SER 244 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47