#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxm n THR 2 N 0.00 1.11 -4.77 0.00 -2.24 -1.26 -4.65 114.28 102.47 1uxm n THR 2 Ca 0.00 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 61.04 1uxm n THR 2 Cb 0.00 -1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 67.02 1uxm n THR 2 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1uxm s LYS 3 N -2.39 1.67 0.11 -0.78 2.20 -1.26 -1.92 119.74 117.37 1uxm s LYS 3 Ca -0.22 -0.57 -0.07 0.00 -0.36 0.00 0.00 55.97 54.75 1uxm s LYS 3 Cb 0.06 -1.46 -0.01 0.00 -1.51 0.00 0.00 37.83 34.91 1uxm s LYS 3 CO 0.50 0.22 0.18 0.08 -0.36 0.00 0.00 175.35 175.97 1uxm s VAL 4 N 0.07 0.12 0.07 4.02 1.01 -0.71 -1.98 120.40 123.00 1uxm s VAL 4 Ca -0.04 -1.40 -0.10 0.00 0.00 0.00 0.00 61.98 60.44 1uxm s VAL 4 Cb -0.11 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.68 1uxm s VAL 4 CO 0.02 -0.56 0.23 0.54 0.00 0.00 0.00 175.10 175.33 1uxm s VAL 5 N -3.92 0.12 -0.01 2.92 0.11 0.75 -1.83 120.40 118.53 1uxm s VAL 5 Ca 0.11 -0.95 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1uxm s VAL 5 Cb 0.05 -1.11 -0.00 0.00 -1.53 0.00 0.00 36.38 33.79 1uxm s VAL 5 CO -0.06 -0.52 -0.08 0.00 -3.33 0.00 0.00 175.10 171.11 1uxm s VAL 7 N -0.06 3.64 -0.27 0.00 1.01 -1.26 -1.25 120.40 122.21 1uxm s VAL 7 Ca 0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1uxm s VAL 7 Cb -0.04 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1uxm s VAL 7 CO -0.00 0.07 0.56 -0.76 0.00 0.00 0.00 175.10 174.97 1uxm s LEU 8 N 1.44 4.08 0.17 3.92 1.02 -0.19 -2.96 118.68 126.16 1uxm s LEU 8 Ca 0.01 0.52 0.04 0.00 0.02 0.00 0.00 54.13 54.72 1uxm s LEU 8 Cb -0.17 -2.73 -0.05 0.00 0.02 0.00 0.00 46.19 43.26 1uxm s LEU 8 CO 0.01 -0.35 -0.08 -0.54 0.02 0.00 0.00 176.35 175.41 1uxm s LYS 9 N 2.41 1.14 0.32 1.70 1.02 0.57 -1.73 119.74 125.18 1uxm s LYS 9 Ca 0.23 -1.51 -0.07 0.00 0.02 0.00 0.00 55.97 54.63 1uxm s LYS 9 Cb -0.15 -0.63 0.03 0.00 -0.52 0.00 0.00 37.83 36.55 1uxm s LYS 9 CO 0.10 0.03 0.55 0.41 -0.92 0.00 0.00 175.35 175.52 1uxm n GLY 10 N -0.26 1.68 0.00 -3.33 0.00 -1.25 -2.04 105.19 99.99 1uxm n GLY 10 Ca -0.09 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.68 1uxm n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uxm n ASP 11 N -1.57 0.00 -0.32 1.61 8.00 -1.26 -4.86 116.55 118.14 1uxm n ASP 11 Ca -0.03 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.59 1uxm n ASP 11 Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1uxm n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxm n GLY 12 N 0.95 5.10 0.00 0.44 0.00 -1.26 -5.10 105.19 105.31 1uxm n GLY 12 Ca 0.22 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.68 1uxm n GLY 12 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uxm n PRO 13 N 0.00 0.00 -1.56 1.61 -0.02 -1.26 -4.75 135.00 129.02 1uxm n PRO 13 Ca 0.00 0.87 -0.51 0.00 -2.02 0.00 0.00 63.50 61.84 1uxm n PRO 13 Cb 0.00 -1.42 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 1uxm n PRO 13 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1uxm n VAL 14 N -2.60 0.58 -3.60 -1.45 0.31 -1.25 -4.84 118.33 105.48 1uxm n VAL 14 Ca 0.00 -0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.05 1uxm n VAL 14 Cb 0.00 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 1uxm n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uxm s GLN 15 N -0.13 1.01 0.26 5.55 -2.07 -1.06 -3.90 119.66 119.32 1uxm s GLN 15 Ca 0.78 -0.31 -0.20 0.00 -1.82 0.00 0.00 55.36 53.81 1uxm s GLN 15 Cb -0.95 0.46 0.06 0.00 -1.09 0.00 0.00 33.01 31.49 1uxm s GLN 15 CO 0.52 -0.37 0.91 0.20 -1.32 0.00 0.00 175.29 175.23 1uxm s GLY 16 N -2.07 0.11 -0.03 2.60 0.00 -0.71 -1.18 107.32 106.06 1uxm s GLY 16 Ca -0.04 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.29 1uxm s GLY 16 CO -0.03 0.78 0.01 -0.42 0.00 0.00 0.00 173.10 173.44 1uxm s ILE 17 N -2.61 0.07 -0.09 0.90 1.01 -0.67 -1.02 121.20 118.78 1uxm s ILE 17 Ca 0.17 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.98 1uxm s ILE 17 Cb -0.04 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.26 1uxm s ILE 17 CO 0.07 0.13 -0.09 -0.63 0.00 0.00 0.00 174.94 174.41 1uxm s ILE 18 N 1.10 1.05 0.28 2.92 -1.09 -0.38 -1.87 121.20 123.21 1uxm s ILE 18 Ca -0.09 -0.35 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1uxm s ILE 18 Cb -0.13 -1.03 -0.05 0.00 -1.58 0.00 0.00 42.46 39.68 1uxm s ILE 18 CO -0.02 0.36 0.52 0.20 -1.23 0.00 0.00 174.94 174.76 1uxm s ASN 19 N 1.30 6.41 -0.03 3.58 -0.87 0.17 -0.86 114.94 124.64 1uxm s ASN 19 Ca -0.03 0.61 0.02 0.00 -1.57 0.00 0.00 52.86 51.90 1uxm s ASN 19 Cb -0.14 -2.10 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1uxm s ASN 19 CO -0.04 -0.18 -0.09 -0.36 -2.57 0.00 0.00 177.10 173.87 1uxm s PHE 20 N -2.07 0.93 0.02 2.20 0.40 -0.76 -1.23 117.98 117.47 1uxm s PHE 20 Ca 0.42 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.52 1uxm s PHE 20 Cb -0.11 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1uxm s PHE 20 CO 0.31 -0.10 -0.03 -2.00 0.70 0.00 0.00 175.22 174.10 1uxm s GLU 21 N 0.23 0.25 -0.24 0.44 2.12 0.81 -1.74 118.70 120.57 1uxm s GLU 21 Ca -0.04 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.78 1uxm s GLU 21 Cb -0.09 0.04 0.12 0.00 0.26 0.00 0.00 34.13 34.46 1uxm s GLU 21 CO 0.00 -0.03 0.47 -1.14 -0.54 0.00 0.00 175.26 174.03 1uxm s GLN 22 N -1.06 0.40 -0.07 4.30 0.74 -0.81 0.13 119.66 123.30 1uxm s GLN 22 Ca -0.11 1.00 -0.24 0.00 0.05 0.00 0.00 55.36 56.06 1uxm s GLN 22 Cb -0.07 0.27 -0.19 0.00 1.10 0.00 0.00 33.01 34.12 1uxm s GLN 22 CO -0.01 -0.37 0.92 0.87 -0.55 0.00 0.00 175.29 176.15 1uxm h LYS 23 N 8.12 -0.09 -6.10 1.67 1.57 -1.85 -3.38 116.57 116.52 1uxm h LYS 23 Ca -0.18 0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.99 1uxm h LYS 23 Cb 1.12 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 1uxm h LYS 23 CO 0.17 0.48 -0.56 -1.21 -0.57 0.00 0.00 179.45 177.76 1uxm s GLU 24 N -3.27 3.08 0.50 3.15 2.02 -1.26 -4.92 118.70 118.00 1uxm s GLU 24 Ca -0.15 -0.64 0.29 0.00 0.02 0.00 0.00 54.97 54.49 1uxm s GLU 24 Cb -0.00 -2.82 1.17 0.00 0.10 0.00 0.00 34.13 32.58 1uxm s GLU 24 CO 0.56 0.56 1.92 0.66 0.02 0.00 0.00 175.26 178.99 1uxm h SER 25 N 3.02 0.00 -2.35 -0.19 4.64 -1.95 -3.04 113.55 113.67 1uxm h SER 25 Ca -0.46 0.00 -0.79 0.00 -0.47 0.00 0.00 61.79 60.07 1uxm h SER 25 Cb 1.17 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.03 1uxm h SER 25 CO 0.68 0.11 1.25 -0.46 -0.87 0.00 0.00 176.83 177.55 1uxm n ASN 26 N -3.27 5.80 -3.59 4.97 6.94 -1.26 -4.98 115.26 119.87 1uxm n ASN 26 Ca 0.00 -3.25 -0.05 0.00 -0.02 0.00 0.00 54.58 51.27 1uxm n ASN 26 Cb 0.36 -1.37 -0.02 0.00 -2.36 0.00 0.00 39.78 36.39 1uxm n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uxm s GLY 27 N -0.32 -0.36 0.95 4.83 0.00 -1.15 -5.04 107.32 106.23 1uxm s GLY 27 Ca 0.35 1.09 -0.12 0.00 0.00 0.00 0.00 44.72 46.04 1uxm s GLY 27 CO 0.05 0.34 1.09 2.56 0.00 0.00 0.00 173.10 177.14 1uxm s PRO 28 N -2.74 0.82 -0.19 2.90 0.04 -1.26 -4.85 135.00 129.71 1uxm s PRO 28 Ca 0.09 0.81 -0.01 0.00 0.04 0.00 0.00 61.00 61.93 1uxm s PRO 28 Cb -0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1uxm s PRO 28 CO -0.05 -2.54 -0.12 0.08 0.04 0.00 0.00 177.00 174.40 1uxm s VAL 29 N -2.86 2.75 -0.13 -0.36 1.01 0.97 -4.50 120.40 117.27 1uxm s VAL 29 Ca 0.65 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 61.67 1uxm s VAL 29 Cb -0.19 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1uxm s VAL 29 CO 0.58 0.48 0.75 -0.54 0.00 0.00 0.00 175.10 176.37 1uxm s LYS 30 N 1.28 4.35 -0.26 2.72 1.02 0.35 -2.44 119.74 126.76 1uxm s LYS 30 Ca 0.03 0.91 -0.01 0.00 0.02 0.00 0.00 55.97 56.92 1uxm s LYS 30 Cb -0.14 -3.52 0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1uxm s LYS 30 CO -0.06 -0.15 -0.06 0.14 -0.92 0.00 0.00 175.35 174.30 1uxm s VAL 31 N 1.52 2.76 0.05 3.17 -7.23 0.02 -0.14 120.40 120.55 1uxm s VAL 31 Ca 0.37 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1uxm s VAL 31 Cb -0.17 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1uxm s VAL 31 CO 0.15 0.12 -0.07 -1.66 -0.31 0.00 0.00 175.10 173.33 1uxm s TRP 32 N 1.27 0.63 -0.56 2.82 -2.14 -0.36 -0.79 118.94 119.81 1uxm s TRP 32 Ca -0.02 -0.58 0.00 0.00 2.66 0.00 0.00 56.10 58.16 1uxm s TRP 32 Cb -0.18 -0.38 0.00 0.00 -3.10 0.00 0.00 33.47 29.81 1uxm s TRP 32 CO -0.04 -0.12 0.00 0.41 -2.66 0.00 0.00 176.95 174.54 1uxm n GLY 33 N 1.24 -0.79 3.64 3.67 0.00 -0.02 0.41 105.19 113.34 1uxm n GLY 33 Ca -0.21 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 1uxm n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxm s SER 34 N -4.00 -0.07 0.00 1.61 0.01 -0.78 -1.09 113.70 109.38 1uxm s SER 34 Ca 0.00 0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.36 1uxm s SER 34 Cb 0.00 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 1uxm s SER 34 CO 0.00 -0.06 -0.08 -0.63 0.41 0.00 0.00 173.24 172.88 1uxm s ILE 35 N -1.03 0.61 0.28 1.44 1.01 0.43 -1.68 121.20 122.27 1uxm s ILE 35 Ca 0.08 -0.43 0.12 0.00 0.00 0.00 0.00 60.65 60.41 1uxm s ILE 35 Cb -0.01 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 1uxm s ILE 35 CO -0.07 0.10 -0.19 -1.59 0.00 0.00 0.00 174.94 173.19 1uxm s LYS 36 N -0.37 1.68 0.00 2.79 -2.85 -0.32 -0.27 119.74 120.40 1uxm s LYS 36 Ca 0.01 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.21 1uxm s LYS 36 Cb -0.04 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1uxm s LYS 36 CO -0.00 0.32 0.00 0.41 0.10 0.00 0.00 175.35 176.17 1uxm n GLY 37 N -0.62 0.66 3.90 0.59 0.00 -0.86 -2.58 105.19 106.29 1uxm n GLY 37 Ca -0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 1uxm n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxm s LEU 38 N 0.00 2.53 0.39 0.99 2.01 -1.02 -4.06 118.68 119.52 1uxm s LEU 38 Ca 0.00 0.50 -0.01 0.00 0.01 0.00 0.00 54.13 54.63 1uxm s LEU 38 Cb 0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 46.19 43.45 1uxm s LEU 38 CO 0.00 -2.47 0.62 0.42 1.01 0.00 0.00 176.35 175.93 1uxm s THR 39 N -3.72 5.04 0.17 5.49 -4.23 -1.26 -4.59 115.64 112.56 1uxm s THR 39 Ca 0.69 -0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.64 1uxm s THR 39 Cb -0.07 -3.86 -0.09 0.00 1.34 0.00 0.00 72.50 69.82 1uxm s THR 39 CO 0.52 -0.65 1.34 -0.70 -0.54 0.00 0.00 174.62 174.58 1uxm s GLU 40 N -4.45 4.36 0.00 3.99 2.12 -1.26 -4.67 118.70 118.79 1uxm s GLU 40 Ca 0.42 2.07 0.00 0.00 0.36 0.00 0.00 54.97 57.82 1uxm s GLU 40 Cb -0.10 -3.21 0.00 0.00 0.26 0.00 0.00 34.13 31.08 1uxm s GLU 40 CO 0.39 -0.32 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1uxm n GLY 41 N 2.70 0.49 3.77 -1.50 0.00 -1.17 -4.96 105.19 104.53 1uxm n GLY 41 Ca 0.08 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 1uxm n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uxm s LEU 42 N 0.00 4.25 -0.05 0.99 1.02 -1.26 -0.71 118.68 122.92 1uxm s LEU 42 Ca 0.00 2.12 -0.01 0.00 0.02 0.00 0.00 54.13 56.26 1uxm s LEU 42 Cb 0.00 -4.03 0.03 0.00 0.02 0.00 0.00 46.19 42.21 1uxm s LEU 42 CO 0.00 -0.41 0.01 -1.00 0.02 0.00 0.00 176.35 174.97 1uxm s HIS 43 N -1.51 0.40 0.38 0.29 3.76 0.54 -3.11 115.29 116.03 1uxm s HIS 43 Ca 0.54 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.18 1uxm s HIS 43 Cb -0.25 -0.57 -0.12 0.00 1.11 0.00 0.00 32.58 32.75 1uxm s HIS 43 CO 0.32 -0.21 1.09 0.41 -0.85 0.00 0.00 174.74 175.49 1uxm n GLY 44 N 4.72 0.01 2.83 -2.22 0.00 -0.83 -0.79 105.19 108.90 1uxm n GLY 44 Ca -0.15 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1uxm n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1uxm s PHE 45 N -1.19 -0.65 0.06 1.61 5.36 -0.59 -1.06 117.98 121.53 1uxm s PHE 45 Ca 0.60 0.26 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 1uxm s PHE 45 Cb -0.59 -0.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.80 1uxm s PHE 45 CO 0.59 -0.83 -0.04 -1.01 -1.46 0.00 0.00 175.22 172.46 1uxm s HIS 46 N 2.44 0.57 -0.28 10.12 3.76 -1.15 -1.90 115.29 128.85 1uxm s HIS 46 Ca 0.10 -0.89 -0.17 0.00 -0.15 0.00 0.00 55.06 53.95 1uxm s HIS 46 Cb -0.14 -0.39 -0.03 0.00 1.11 0.00 0.00 32.58 33.14 1uxm s HIS 46 CO -0.25 -0.27 0.47 0.08 -0.85 0.00 0.00 174.74 173.93 1uxm s VAL 47 N -3.19 5.09 0.35 -0.90 1.01 0.75 -2.31 120.40 121.20 1uxm s VAL 47 Ca 0.03 0.68 -0.04 0.00 0.00 0.00 0.00 61.98 62.65 1uxm s VAL 47 Cb 0.03 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1uxm s VAL 47 CO -0.06 0.05 0.61 -1.00 0.00 0.00 0.00 175.10 174.69 1uxm s HIS 48 N 2.26 3.50 0.17 5.22 3.76 0.02 -0.85 115.29 129.37 1uxm s HIS 48 Ca 0.19 0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 55.58 1uxm s HIS 48 Cb -0.16 -2.10 0.07 0.00 1.11 0.00 0.00 32.58 31.50 1uxm s HIS 48 CO 0.10 0.06 1.84 1.49 -0.85 0.00 0.00 174.74 177.38 1uxm h GLU 49 N 1.15 0.68 -5.92 1.40 4.81 -0.15 -3.27 114.58 113.29 1uxm h GLU 49 Ca -0.48 -0.04 -0.67 0.00 -0.13 0.00 0.00 59.36 58.03 1uxm h GLU 49 Cb 1.20 -0.15 -0.20 0.00 0.63 0.00 0.00 28.75 30.23 1uxm h GLU 49 CO 0.64 0.45 -0.69 -0.06 -0.73 0.00 0.00 179.01 178.62 1uxm s PHE 50 N -6.15 2.96 -0.45 0.92 0.08 0.06 -4.78 117.98 110.62 1uxm s PHE 50 Ca -0.13 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 56.82 1uxm s PHE 50 Cb 0.12 -1.77 0.10 0.00 -0.57 0.00 0.00 43.02 40.91 1uxm s PHE 50 CO 0.74 0.24 2.62 0.41 -0.10 0.00 0.00 175.22 179.13 1uxm n GLY 51 N 2.55 4.38 3.27 4.36 0.00 -1.18 -3.93 105.19 114.65 1uxm n GLY 51 Ca -0.18 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.69 1uxm n GLY 51 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uxm s ASP 52 N 0.23 4.72 -0.27 1.61 -1.08 -1.26 -4.91 116.67 115.71 1uxm s ASP 52 Ca 0.55 -0.81 0.11 0.00 -0.52 0.00 0.00 52.55 51.87 1uxm s ASP 52 Cb 0.37 -1.77 0.51 0.00 -1.46 0.00 0.00 42.92 40.57 1uxm s ASP 52 CO -0.19 -0.16 1.46 -3.20 0.52 0.00 0.00 175.17 173.60 1uxm n ASN 53 N 4.76 2.80 0.22 -0.34 2.85 -1.26 -3.00 115.26 121.28 1uxm n ASN 53 Ca -0.15 -3.60 0.07 0.00 -0.11 0.00 0.00 54.58 50.79 1uxm n ASN 53 Cb 0.47 -0.62 0.50 0.00 1.24 0.00 0.00 39.78 41.37 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1uxm h THR 54 N 1.14 0.94 -1.73 -0.44 1.35 -1.93 -3.15 112.91 109.09 1uxm h THR 54 Ca 0.18 -0.98 -0.53 0.00 -0.55 0.00 0.00 66.41 64.53 1uxm h THR 54 Cb 1.64 1.57 -0.41 0.00 -1.73 0.00 0.00 68.15 69.21 1uxm h THR 54 CO 0.37 0.26 -0.85 0.00 -0.25 0.00 0.00 175.52 175.04 1uxm n ALA 55 N -2.38 4.23 -0.96 6.62 0.00 -1.26 -5.05 120.51 121.71 1uxm n ALA 55 Ca -0.02 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.32 1uxm n ALA 55 Cb 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1uxm n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 56 N -0.23 1.02 0.29 0.00 0.00 -1.19 -3.18 105.19 101.90 1uxm n GLY 56 Ca 0.29 -0.63 0.19 0.00 0.00 0.00 0.00 46.02 45.87 1uxm n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uxm h THR 58 N 0.00 1.26 0.00 0.00 2.02 -1.89 -2.22 112.91 112.08 1uxm h THR 58 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1uxm h THR 58 Cb 0.32 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1uxm h THR 58 CO 0.00 0.32 0.00 -1.54 0.37 0.00 0.00 175.52 174.67 1uxm n SER 59 N -4.29 0.00 0.01 4.18 3.41 -1.20 -2.22 113.62 113.50 1uxm n SER 59 Ca 0.08 -0.12 0.09 0.00 -0.26 0.00 0.00 58.87 58.66 1uxm n SER 59 Cb 0.16 -0.20 0.39 0.00 -0.26 0.00 0.00 64.21 64.30 1uxm n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxm n ALA 60 N -1.20 1.83 -0.36 7.33 0.00 -0.83 -4.49 120.51 122.79 1uxm n ALA 60 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1uxm n ALA 60 Cb 0.11 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1uxm n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 61 N 0.37 -0.86 0.00 0.00 0.00 -0.94 -0.76 105.19 103.00 1uxm n GLY 61 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1uxm n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxm n PRO 62 N -0.17 0.34 -2.38 1.61 -0.04 -1.26 -4.59 135.00 128.51 1uxm n PRO 62 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1uxm n PRO 62 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1uxm n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uxm s HIS 63 N -0.36 3.19 -0.19 0.54 3.76 -1.26 0.19 115.29 121.15 1uxm s HIS 63 Ca 0.00 1.60 -0.28 0.00 -0.15 0.00 0.00 55.06 56.22 1uxm s HIS 63 Cb 0.00 -3.32 -0.05 0.00 1.11 0.00 0.00 32.58 30.32 1uxm s HIS 63 CO 0.00 -1.05 2.17 0.12 -0.85 0.00 0.00 174.74 175.13 1uxm s PHE 64 N -1.43 1.21 -0.39 1.40 5.36 -0.03 -4.44 117.98 119.66 1uxm s PHE 64 Ca 0.55 0.43 0.12 0.00 -0.96 0.00 0.00 56.93 57.07 1uxm s PHE 64 Cb -0.29 -3.97 0.40 0.00 -0.34 0.00 0.00 43.02 38.82 1uxm s PHE 64 CO 0.37 -4.21 0.91 -1.71 -1.46 0.00 0.00 175.22 169.12 1uxm n ASN 65 N 11.14 2.18 -0.25 6.13 5.15 -1.26 -1.01 115.26 137.34 1uxm n ASN 65 Ca 0.28 -3.10 -0.02 0.00 -0.60 0.00 0.00 54.58 51.14 1uxm n ASN 65 Cb 0.45 -0.55 0.17 0.00 -0.53 0.00 0.00 39.78 39.31 1uxm n ASN 65 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1uxm h PRO 66 N 2.93 1.08 0.00 1.20 0.13 -1.97 0.47 132.00 135.84 1uxm h PRO 66 Ca 0.06 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1uxm h PRO 66 Cb 0.98 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1uxm h PRO 66 CO 0.60 0.79 0.00 1.28 -0.23 0.00 0.00 178.00 180.44 1uxm n LEU 67 N -4.35 0.00 -3.49 1.56 4.77 -1.26 -4.95 117.00 109.27 1uxm n LEU 67 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 1uxm n LEU 67 Cb 0.10 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1uxm n LEU 67 CO 0.38 0.00 -0.20 -1.20 -1.33 0.00 0.00 177.39 175.04 1uxm n SER 68 N -0.70 -5.73 -4.13 -1.43 7.64 0.16 -5.04 113.62 104.41 1uxm n SER 68 Ca 0.09 -0.29 -0.22 0.00 1.01 0.00 0.00 58.87 59.46 1uxm n SER 68 Cb 0.04 -2.28 -0.09 0.00 -1.01 0.00 0.00 64.21 60.87 1uxm n SER 68 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxm s ARG 69 N -3.17 1.72 0.68 1.43 0.52 -1.26 -5.15 118.95 113.71 1uxm s ARG 69 Ca 0.25 -2.00 -0.09 0.00 -0.52 0.00 0.00 55.73 53.36 1uxm s ARG 69 Cb -0.03 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.04 1uxm s ARG 69 CO 0.86 -0.41 1.03 -1.59 0.02 0.00 0.00 175.30 175.22 1uxm s LYS 70 N -3.80 2.77 0.41 3.54 -2.85 -1.26 -4.69 119.74 113.86 1uxm s LYS 70 Ca 0.32 0.23 -0.24 0.00 -1.00 0.00 0.00 55.97 55.28 1uxm s LYS 70 Cb 0.05 -2.11 -0.08 0.00 -2.06 0.00 0.00 37.83 33.63 1uxm s LYS 70 CO 0.16 -0.98 1.12 -1.58 0.10 0.00 0.00 175.35 174.17 1uxm s HIS 71 N -3.25 3.11 0.20 1.78 5.65 0.47 -3.51 115.29 119.74 1uxm s HIS 71 Ca 0.57 1.59 -0.06 0.00 0.25 0.00 0.00 55.06 57.41 1uxm s HIS 71 Cb -0.11 -3.28 0.02 0.00 -1.18 0.00 0.00 32.58 28.04 1uxm s HIS 71 CO 0.49 -1.07 0.38 0.41 -0.65 0.00 0.00 174.74 174.30 1uxm n GLY 72 N 0.48 1.73 3.96 1.59 0.00 -1.24 -4.35 105.19 107.35 1uxm n GLY 72 Ca 0.05 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 1uxm n GLY 72 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uxm s GLY 73 N -2.10 1.74 0.28 -0.02 0.00 -1.23 -4.70 107.32 101.28 1uxm s GLY 73 Ca 0.10 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.62 1uxm s GLY 73 CO 0.07 -0.89 1.93 -2.55 0.00 0.00 0.00 173.10 171.66 1uxm h PRO 74 N 0.02 1.17 0.00 2.90 0.11 -1.89 -0.97 132.00 133.35 1uxm h PRO 74 Ca -0.43 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uxm h PRO 74 Cb 1.29 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1uxm h PRO 74 CO 0.55 0.77 0.00 1.63 -0.21 0.00 0.00 178.00 180.74 1uxm n LYS 75 N -4.43 0.25 -2.74 1.05 4.76 -1.26 -4.79 118.16 111.00 1uxm n LYS 75 Ca 0.12 0.07 -0.36 0.00 -2.87 0.00 0.00 58.31 55.27 1uxm n LYS 75 Cb 0.08 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1uxm n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1uxm s ASP 76 N -2.69 7.11 0.00 4.39 1.01 -0.37 -4.97 116.67 121.14 1uxm s ASP 76 Ca 0.20 1.85 0.00 0.00 0.71 0.00 0.00 52.55 55.31 1uxm s ASP 76 Cb 0.16 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.52 1uxm s ASP 76 CO 0.39 -0.24 0.94 1.21 0.21 0.00 0.00 175.17 177.69 1uxm n GLU 77 N 0.12 0.00 -1.94 8.23 4.07 -1.26 -4.19 120.64 125.66 1uxm n GLU 77 Ca 0.04 0.49 -0.24 0.00 -0.06 0.00 0.00 57.16 57.39 1uxm n GLU 77 Cb 0.51 -1.47 -0.06 0.00 -0.06 0.00 0.00 31.44 30.37 1uxm n GLU 77 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1uxm s GLU 78 N -2.87 2.33 0.11 5.31 2.56 -1.26 -4.90 118.70 119.98 1uxm s GLU 78 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 54.97 54.72 1uxm s GLU 78 Cb 0.00 -5.02 -0.03 0.00 2.00 0.00 0.00 34.13 31.08 1uxm s GLU 78 CO 0.00 -3.68 0.12 -0.98 -0.56 0.00 0.00 175.26 170.15 1uxm s ARG 79 N 7.38 0.90 0.52 4.30 1.04 -1.24 -3.71 118.95 128.14 1uxm s ARG 79 Ca 0.75 -1.25 -0.13 0.00 -1.04 0.00 0.00 55.73 54.06 1uxm s ARG 79 Cb -0.07 0.28 -0.06 0.00 -2.04 0.00 0.00 34.95 33.06 1uxm s ARG 79 CO 0.02 -0.27 0.94 -1.01 -0.04 0.00 0.00 175.30 174.94 1uxm s HIS 80 N -3.97 3.51 0.37 5.89 3.76 -1.23 -4.70 115.29 118.92 1uxm s HIS 80 Ca 0.16 1.28 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1uxm s HIS 80 Cb 0.06 -2.66 0.71 0.00 1.11 0.00 0.00 32.58 31.80 1uxm s HIS 80 CO -0.03 -0.40 1.94 0.28 -0.85 0.00 0.00 174.74 175.68 1uxm h VAL 81 N 0.55 1.17 0.00 -0.90 2.07 -1.76 -1.33 116.25 116.04 1uxm h VAL 81 Ca -0.46 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1uxm h VAL 81 Cb 1.19 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1uxm h VAL 81 CO 0.62 0.21 0.00 0.61 0.02 0.00 0.00 177.57 179.03 1uxm n GLY 82 N -1.06 -0.78 3.56 2.17 0.00 -0.18 -4.56 105.19 104.34 1uxm n GLY 82 Ca 0.02 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1uxm n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uxm s ASP 83 N -2.08 6.04 -0.22 1.61 1.01 -0.51 -0.18 116.67 122.34 1uxm s ASP 83 Ca 0.33 -0.78 0.14 0.00 0.71 0.00 0.00 52.55 52.95 1uxm s ASP 83 Cb 0.16 -2.56 0.79 0.00 1.01 0.00 0.00 42.92 42.32 1uxm s ASP 83 CO 0.28 -1.90 1.71 0.18 0.21 0.00 0.00 175.17 175.65 1uxm n LEU 84 N 10.24 5.55 0.00 1.23 4.77 -0.80 -3.66 117.00 134.34 1uxm n LEU 84 Ca 0.22 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1uxm n LEU 84 Cb 0.50 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1uxm n LEU 84 CO 0.67 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.97 1uxm n GLY 85 N 0.65 1.19 3.60 -0.72 0.00 -1.19 -4.75 105.19 103.97 1uxm n GLY 85 Ca 0.27 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1uxm n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1uxm s ASN 86 N -4.00 4.06 0.15 1.61 0.01 -1.26 -1.54 114.94 113.97 1uxm s ASN 86 Ca 0.00 -1.01 0.08 0.00 -0.71 0.00 0.00 52.86 51.21 1uxm s ASN 86 Cb 0.00 -0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.12 1uxm s ASN 86 CO 0.00 -0.19 -0.17 0.68 -1.51 0.00 0.00 177.10 175.91 1uxm s VAL 87 N -2.52 1.69 -0.14 1.60 -7.23 0.03 -4.91 120.40 108.91 1uxm s VAL 87 Ca 0.34 -1.85 -0.03 0.00 -1.81 0.00 0.00 61.98 58.62 1uxm s VAL 87 Cb -0.00 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1uxm s VAL 87 CO 0.18 -0.33 -0.04 -0.89 -0.31 0.00 0.00 175.10 173.71 1uxm s THR 88 N -2.04 3.84 0.31 5.32 2.01 -1.26 -0.34 115.64 123.47 1uxm s THR 88 Ca 0.14 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 1uxm s THR 88 Cb -0.06 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1uxm s THR 88 CO 0.06 0.51 0.55 0.00 -0.69 0.00 0.00 174.62 175.05 1uxm s ALA 89 N 0.19 3.65 0.43 7.40 0.00 0.11 -3.92 121.76 129.62 1uxm s ALA 89 Ca -0.02 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.29 1uxm s ALA 89 Cb -0.14 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.78 1uxm s ALA 89 CO 0.03 0.15 0.29 -0.40 0.00 0.00 0.00 175.76 175.82 1uxm n ASP 90 N -1.23 2.46 -0.20 0.00 5.68 0.19 -3.04 116.55 120.41 1uxm n ASP 90 Ca -0.03 -2.52 0.25 0.00 -0.50 0.00 0.00 54.79 52.00 1uxm n ASP 90 Cb 0.55 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.17 1uxm n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1uxm h LYS 91 N 0.00 0.14 -0.32 0.11 5.09 -1.98 0.83 116.57 120.44 1uxm h LYS 91 Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 60.65 60.45 1uxm h LYS 91 Cb 1.00 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 33.30 1uxm h LYS 91 CO 0.44 0.10 0.00 -0.25 -2.09 0.00 0.00 179.45 177.65 1uxm n ASP 92 N -4.37 1.97 -0.27 7.07 8.00 -1.26 -4.87 116.55 122.82 1uxm n ASP 92 Ca 0.19 -1.92 -0.03 0.00 0.71 0.00 0.00 54.79 53.74 1uxm n ASP 92 Cb 0.87 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.74 1uxm n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uxm n GLY 93 N 1.12 0.49 3.55 0.44 0.00 0.29 -4.68 105.19 106.40 1uxm n GLY 93 Ca 0.14 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 1uxm n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uxm s VAL 94 N -2.13 4.54 -0.38 1.61 1.01 -1.21 -2.02 120.40 121.81 1uxm s VAL 94 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1uxm s VAL 94 Cb 0.00 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.37 1uxm s VAL 94 CO 0.00 0.41 0.19 0.00 0.00 0.00 0.00 175.10 175.70 1uxm s ALA 95 N 0.90 3.19 -1.06 5.51 0.00 0.63 0.53 121.76 131.47 1uxm s ALA 95 Ca 0.03 -1.97 -0.16 0.00 0.00 0.00 0.00 51.96 49.87 1uxm s ALA 95 Cb -0.14 -2.50 0.16 0.00 0.00 0.00 0.00 23.12 20.65 1uxm s ALA 95 CO 0.03 -1.51 1.25 -0.51 0.00 0.00 0.00 175.76 175.02 1uxm s ASP 96 N 1.77 6.87 0.40 0.00 -0.00 -1.25 -0.43 116.67 124.03 1uxm s ASP 96 Ca 0.01 -2.58 -0.26 0.00 -0.00 0.00 0.00 52.55 49.72 1uxm s ASP 96 Cb -0.21 -2.38 -0.09 0.00 -0.00 0.00 0.00 42.92 40.24 1uxm s ASP 96 CO 0.03 -0.86 1.29 -0.69 -0.00 0.00 0.00 175.17 174.93 1uxm s VAL 97 N 1.89 2.68 -0.30 -1.27 1.01 -0.25 -4.83 120.40 119.33 1uxm s VAL 97 Ca 0.37 0.61 -0.09 0.00 0.00 0.00 0.00 61.98 62.87 1uxm s VAL 97 Cb -0.04 -3.36 0.17 0.00 0.00 0.00 0.00 36.38 33.14 1uxm s VAL 97 CO -0.05 0.09 0.79 -0.55 0.00 0.00 0.00 175.10 175.38 1uxm s SER 98 N -0.77 -0.97 0.12 3.32 0.15 -1.23 -0.84 113.70 113.48 1uxm s SER 98 Ca 0.56 0.92 -0.07 0.00 0.70 0.00 0.00 55.95 58.06 1uxm s SER 98 Cb -0.37 1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 65.86 1uxm s SER 98 CO 0.48 -0.18 0.19 -0.63 1.20 0.00 0.00 173.24 174.30 1uxm s ILE 99 N 2.79 0.11 -0.03 6.45 1.01 0.02 -5.00 121.20 126.56 1uxm s ILE 99 Ca 0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 60.65 59.29 1uxm s ILE 99 Cb -0.11 -1.64 0.03 0.00 0.01 0.00 0.00 42.46 40.75 1uxm s ILE 99 CO -0.18 -0.51 0.06 -0.70 0.00 0.00 0.00 174.94 173.61 1uxm s GLU 100 N -3.93 -0.03 0.02 2.79 2.12 -1.26 -0.80 118.70 117.61 1uxm s GLU 100 Ca 0.12 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1uxm s GLU 100 Cb 0.05 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.12 1uxm s GLU 100 CO -0.05 -0.21 -0.04 0.34 -0.54 0.00 0.00 175.26 174.76 1uxm s ASP 101 N 1.39 0.36 0.00 -1.70 2.15 -1.02 -4.92 116.67 112.93 1uxm s ASP 101 Ca -0.05 -0.47 0.05 0.00 0.43 0.00 0.00 52.55 52.50 1uxm s ASP 101 Cb -0.13 0.08 0.12 0.00 -0.30 0.00 0.00 42.92 42.70 1uxm s ASP 101 CO -0.04 -0.26 1.03 -1.20 -0.17 0.00 0.00 175.17 174.54 1uxm n SER 102 N 1.68 2.24 -0.10 -0.34 7.64 -1.26 -0.02 113.62 123.46 1uxm n SER 102 Ca -0.23 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.71 1uxm n SER 102 Cb 0.55 -0.09 -0.16 0.00 -1.01 0.00 0.00 64.21 63.51 1uxm n SER 102 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1uxm n VAL 103 N 0.03 1.34 -2.45 0.44 0.31 -1.26 -4.92 118.33 111.83 1uxm n VAL 103 Ca 0.05 -0.84 -0.27 0.00 -0.01 0.00 0.00 64.34 63.27 1uxm n VAL 103 Cb 0.29 -0.46 0.02 0.00 -0.91 0.00 0.00 33.84 32.78 1uxm n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uxm s ILE 104 N -2.50 4.17 0.02 2.52 -4.36 -1.26 -4.89 121.20 114.90 1uxm s ILE 104 Ca -0.10 0.13 -0.10 0.00 -0.26 0.00 0.00 60.65 60.32 1uxm s ILE 104 Cb 0.06 -3.63 0.01 0.00 1.25 0.00 0.00 42.46 40.15 1uxm s ILE 104 CO 0.82 -0.65 0.21 -0.55 0.24 0.00 0.00 174.94 175.01 1uxm s SER 105 N -4.23 -0.02 -0.13 4.36 0.15 -1.02 -4.71 113.70 108.10 1uxm s SER 105 Ca 0.52 -0.23 0.18 0.00 0.70 0.00 0.00 55.95 57.12 1uxm s SER 105 Cb -0.10 0.28 0.72 0.00 -1.71 0.00 0.00 66.02 65.20 1uxm s SER 105 CO 0.46 -0.49 1.63 0.18 1.20 0.00 0.00 173.24 176.21 1uxm n LEU 106 N 0.98 4.81 -3.74 3.45 4.77 -1.26 -2.17 117.00 123.84 1uxm n LEU 106 Ca -0.20 -2.51 -0.02 0.00 -0.03 0.00 0.00 56.01 53.24 1uxm n LEU 106 Cb 0.57 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1uxm n LEU 106 CO 0.22 0.79 0.79 -0.94 -1.33 0.00 0.00 177.39 176.92 1uxm s SER 107 N -0.95 -0.14 0.00 -1.43 1.04 -1.26 -3.75 113.70 107.21 1uxm s SER 107 Ca 0.51 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1uxm s SER 107 Cb 0.34 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.88 1uxm s SER 107 CO 0.23 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1uxm n GLY 108 N -0.49 -1.91 0.34 7.32 0.00 -1.26 -3.79 105.19 105.40 1uxm n GLY 108 Ca -0.06 -1.55 0.02 0.00 0.00 0.00 0.00 46.02 44.43 1uxm n GLY 108 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1uxm h ASP 109 N 0.00 0.73 -0.87 1.61 1.82 -2.01 -2.50 116.42 115.19 1uxm h ASP 109 Ca 0.00 -0.02 -0.40 0.00 -0.39 0.00 0.00 57.03 56.22 1uxm h ASP 109 Cb 0.00 -0.18 -0.24 0.00 0.68 0.00 0.00 39.33 39.59 1uxm h ASP 109 CO 0.00 0.52 0.51 1.41 -1.61 0.00 0.00 179.24 180.08 1uxm n HIS 110 N -4.44 2.73 -1.93 0.28 8.25 -1.26 -4.99 115.22 113.87 1uxm n HIS 110 Ca 0.07 -1.58 -0.35 0.00 -0.26 0.00 0.00 57.72 55.60 1uxm n HIS 110 Cb 0.06 -0.84 0.04 0.00 1.12 0.00 0.00 29.99 30.38 1uxm n HIS 110 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uxm n ILE 112 N -1.80 0.11 -1.64 0.00 -5.35 -0.92 -4.87 119.36 104.89 1uxm n ILE 112 Ca 0.13 -0.35 -0.47 0.00 -0.27 0.00 0.00 62.75 61.79 1uxm n ILE 112 Cb 0.50 1.28 -0.04 0.00 -1.74 0.00 0.00 39.64 39.64 1uxm n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uxm n ILE 113 N -0.05 0.56 -1.06 7.28 2.08 -1.26 -0.15 119.36 126.76 1uxm n ILE 113 Ca 0.00 -0.14 -0.02 0.00 0.56 0.00 0.00 62.75 63.15 1uxm n ILE 113 Cb 0.15 -1.24 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 1uxm n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uxm n GLY 114 N 2.48 0.52 0.00 7.39 0.00 0.18 -4.94 105.19 110.82 1uxm n GLY 114 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1uxm n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxm n ARG 115 N -2.17 3.04 -5.10 1.61 1.74 0.79 -3.08 116.66 113.49 1uxm n ARG 115 Ca -0.02 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.76 1uxm n ARG 115 Cb 0.16 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.44 1uxm n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxm s THR 116 N 1.46 1.82 -0.17 0.55 2.01 -1.23 -1.49 115.64 118.60 1uxm s THR 116 Ca 0.00 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 61.00 1uxm s THR 116 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.92 1uxm s THR 116 CO 0.00 0.51 0.08 -0.22 -0.69 0.00 0.00 174.62 174.30 1uxm s LEU 117 N -0.04 3.93 0.03 4.42 2.96 -1.08 -0.80 118.68 128.11 1uxm s LEU 117 Ca -0.05 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1uxm s LEU 117 Cb -0.13 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.55 1uxm s LEU 117 CO 0.04 0.23 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.38 1uxm s VAL 118 N 0.02 1.83 -0.09 1.68 1.01 -0.98 -3.36 120.40 120.53 1uxm s VAL 118 Ca 0.07 -1.20 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1uxm s VAL 118 Cb -0.12 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1uxm s VAL 118 CO 0.01 0.32 -0.21 0.54 0.00 0.00 0.00 175.10 175.76 1uxm s VAL 119 N -0.73 2.41 0.28 2.92 0.11 -0.61 -2.95 120.40 121.83 1uxm s VAL 119 Ca 0.09 -0.92 0.06 0.00 -2.93 0.00 0.00 61.98 58.28 1uxm s VAL 119 Cb -0.09 -1.93 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1uxm s VAL 119 CO 0.01 0.56 0.39 -1.00 -3.33 0.00 0.00 175.10 171.73 1uxm s HIS 120 N 0.04 3.28 0.21 1.54 3.76 -0.22 -1.61 115.29 122.29 1uxm s HIS 120 Ca -0.08 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.63 1uxm s HIS 120 Cb -0.15 -1.72 0.15 0.00 1.11 0.00 0.00 32.58 31.96 1uxm s HIS 120 CO 0.05 0.27 1.79 1.49 -0.85 0.00 0.00 174.74 177.49 1uxm h GLU 121 N 1.09 1.11 -5.43 1.40 4.81 -0.19 -3.40 114.58 113.97 1uxm h GLU 121 Ca -0.49 -0.17 -0.61 0.00 -0.13 0.00 0.00 59.36 57.95 1uxm h GLU 121 Cb 1.24 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1uxm h GLU 121 CO 0.58 0.87 -0.58 0.15 -0.73 0.00 0.00 179.01 179.31 1uxm s LYS 122 N -5.66 1.97 0.43 1.92 1.02 0.14 -4.93 119.74 114.62 1uxm s LYS 122 Ca -0.13 -2.15 -0.25 0.00 0.02 0.00 0.00 55.97 53.46 1uxm s LYS 122 Cb 0.15 -1.42 -0.08 0.00 -0.52 0.00 0.00 37.83 35.96 1uxm s LYS 122 CO 0.82 -0.18 1.21 0.00 -0.92 0.00 0.00 175.35 176.29 1uxm s ALA 123 N -2.88 3.11 -0.04 5.17 0.00 -1.18 -1.97 121.76 123.97 1uxm s ALA 123 Ca 0.27 1.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 1uxm s ALA 123 Cb 0.07 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1uxm s ALA 123 CO 0.14 -0.69 1.13 0.34 0.00 0.00 0.00 175.76 176.68 1uxm s ASP 124 N -1.08 7.13 0.00 0.00 -1.08 -1.26 -3.95 116.67 116.44 1uxm s ASP 124 Ca 0.60 1.77 0.15 0.00 -0.52 0.00 0.00 52.55 54.54 1uxm s ASP 124 Cb -0.33 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.07 1uxm s ASP 124 CO 0.41 -0.50 1.38 -0.90 0.52 0.00 0.00 175.17 176.08 1uxm n ASP 125 N 4.81 1.63 -1.39 -0.34 5.68 0.69 -4.90 116.55 122.74 1uxm n ASP 125 Ca 0.10 -1.86 -0.15 0.00 -0.50 0.00 0.00 54.79 52.38 1uxm n ASP 125 Cb 0.47 -0.16 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1uxm n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxm n LEU 126 N 0.34 -1.34 0.00 -2.12 4.77 -1.26 -2.06 117.00 115.32 1uxm n LEU 126 Ca 0.13 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1uxm n LEU 126 Cb 0.29 -2.21 0.00 0.00 -2.33 0.00 0.00 43.42 39.16 1uxm n LEU 126 CO 0.10 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 1uxm n GLY 127 N -1.09 0.70 1.23 -0.72 0.00 -1.26 -3.51 105.19 100.54 1uxm n GLY 127 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uxm n GLY 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uxm n LYS 128 N -2.53 3.57 0.09 1.61 5.02 -0.88 -4.60 118.16 120.44 1uxm n LYS 128 Ca 0.00 -2.88 0.13 0.00 -2.02 0.00 0.00 58.31 53.54 1uxm n LYS 128 Cb 0.00 -1.93 0.38 0.00 -0.02 0.00 0.00 35.03 33.46 1uxm n LYS 128 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uxm n GLY 129 N 0.06 -1.65 2.07 0.72 0.00 -1.26 -4.95 105.19 100.18 1uxm n GLY 129 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1uxm n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uxm n GLY 130 N 1.33 0.48 3.39 -0.02 0.00 -1.26 -4.98 105.19 104.13 1uxm n GLY 130 Ca 0.05 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 1uxm n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uxm s ASN 131 N -2.39 2.30 0.28 1.61 2.20 -1.26 -5.04 114.94 112.63 1uxm s ASN 131 Ca 0.00 -1.24 -0.03 0.00 -0.94 0.00 0.00 52.86 50.65 1uxm s ASN 131 Cb 0.00 -0.08 0.37 0.00 -2.00 0.00 0.00 41.25 39.55 1uxm s ASN 131 CO 0.00 -0.46 1.94 -0.08 -2.94 0.00 0.00 177.10 175.56 1uxm h GLU 132 N 2.33 1.18 -0.70 3.55 4.81 -2.00 -1.86 114.58 121.90 1uxm h GLU 132 Ca -0.39 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.86 1uxm h GLU 132 Cb 1.23 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 1uxm h GLU 132 CO 0.67 0.78 0.47 1.49 -0.73 0.00 0.00 179.01 181.68 1uxm h GLU 133 N 1.22 0.58 -0.37 1.92 4.57 -1.99 -1.07 114.58 119.44 1uxm h GLU 133 Ca 0.35 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.40 1uxm h GLU 133 Cb -0.09 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.36 1uxm h GLU 133 CO -0.09 0.38 -0.15 1.03 -1.18 0.00 0.00 179.01 179.01 1uxm h SER 134 N 0.59 0.66 0.34 1.04 0.87 -1.69 0.14 113.55 115.51 1uxm h SER 134 Ca 0.32 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1uxm h SER 134 Cb 0.47 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1uxm h SER 134 CO -0.11 0.83 0.00 0.35 -0.53 0.00 0.00 176.83 177.37 1uxm n THR 135 N -4.16 0.22 -0.07 2.23 -2.24 -0.42 -1.81 114.28 108.02 1uxm n THR 135 Ca 0.01 0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.69 1uxm n THR 135 Cb 0.37 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 1uxm n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1uxm n LYS 136 N -1.22 0.31 0.00 -0.78 5.02 -0.22 -0.40 118.16 120.86 1uxm n LYS 136 Ca 0.12 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1uxm n LYS 136 Cb 0.16 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1uxm n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1uxm n THR 137 N -3.63 0.17 -1.84 -0.18 -2.24 0.32 -4.70 114.28 102.19 1uxm n THR 137 Ca -0.28 -0.28 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 1uxm n THR 137 Cb 0.70 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 70.13 1uxm n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxm n GLY 138 N -0.09 0.85 2.96 3.38 0.00 -0.75 -2.87 105.19 108.67 1uxm n GLY 138 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1uxm n GLY 138 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uxm n ASN 139 N -0.94 -5.26 0.00 1.61 3.02 -1.25 -0.22 115.26 112.21 1uxm n ASN 139 Ca -0.18 -0.22 0.11 0.00 -0.03 0.00 0.00 54.58 54.25 1uxm n ASN 139 Cb 0.60 -4.30 0.49 0.00 -0.61 0.00 0.00 39.78 35.95 1uxm n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uxm n ALA 140 N -3.20 2.05 -0.30 5.41 0.00 -1.14 -4.67 120.51 118.65 1uxm n ALA 140 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1uxm n ALA 140 Cb 0.61 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1uxm n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uxm n GLY 141 N 0.83 -0.06 3.64 0.00 0.00 -1.26 0.25 105.19 108.59 1uxm n GLY 141 Ca 0.06 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1uxm n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uxm n SER 142 N -0.29 0.38 -4.35 1.61 7.64 -1.26 -4.58 113.62 112.78 1uxm n SER 142 Ca 0.00 0.53 -0.45 0.00 1.01 0.00 0.00 58.87 59.95 1uxm n SER 142 Cb 0.00 -1.45 -0.05 0.00 -1.01 0.00 0.00 64.21 61.70 1uxm n SER 142 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1uxm s ARG 143 N -4.07 3.02 0.14 1.43 0.52 -1.26 0.12 118.95 118.85 1uxm s ARG 143 Ca 0.70 -1.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.44 1uxm s ARG 143 Cb -0.27 -4.27 -0.10 0.00 0.52 0.00 0.00 34.95 30.83 1uxm s ARG 143 CO 0.55 -1.42 1.31 -0.07 0.02 0.00 0.00 175.30 175.69 1uxm h LEU 144 N 9.44 0.26 -7.16 2.53 3.38 -1.60 -3.46 115.31 118.70 1uxm h LEU 144 Ca -0.30 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 1uxm h LEU 144 Cb 1.09 -0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1uxm h LEU 144 CO 1.06 1.09 0.08 0.00 0.09 0.00 0.00 178.44 180.76 1uxm s ALA 145 N -3.02 -1.36 0.24 1.53 0.00 -1.17 -4.14 121.76 113.84 1uxm s ALA 145 Ca -0.03 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.17 1uxm s ALA 145 Cb 0.09 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.87 1uxm s ALA 145 CO 0.84 -0.62 0.85 0.00 0.00 0.00 0.00 175.76 176.83 1uxm s GLY 147 N -3.01 -0.07 0.25 0.00 0.00 -1.15 -0.31 107.32 103.02 1uxm s GLY 147 Ca 0.13 -0.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.55 1uxm s GLY 147 CO 0.06 0.07 0.55 0.14 0.00 0.00 0.00 173.10 173.92 1uxm s VAL 148 N -3.40 4.95 -0.75 1.40 1.01 -1.26 -2.63 120.40 119.73 1uxm s VAL 148 Ca 0.13 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.30 1uxm s VAL 148 Cb -0.04 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.82 1uxm s VAL 148 CO 0.06 -0.14 0.89 -0.63 0.00 0.00 0.00 175.10 175.28 1uxm s ILE 149 N -1.89 4.84 0.23 2.22 1.01 -0.55 -4.40 121.20 122.66 1uxm s ILE 149 Ca 0.47 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1uxm s ILE 149 Cb -0.11 -4.61 -0.03 0.00 0.01 0.00 0.00 42.46 37.72 1uxm s ILE 149 CO 0.23 -1.28 0.38 -0.83 0.00 0.00 0.00 174.94 173.44 1uxm s GLY 150 N 3.41 1.43 0.31 6.18 0.00 -0.59 0.49 107.32 118.56 1uxm s GLY 150 Ca 0.21 -1.06 -0.28 0.00 0.00 0.00 0.00 44.72 43.58 1uxm s GLY 150 CO -0.01 -1.05 1.10 -0.42 0.00 0.00 0.00 173.10 172.72 1uxm s ILE 151 N -1.97 3.49 0.35 0.90 1.01 -1.26 -0.18 121.20 123.54 1uxm s ILE 151 Ca 0.36 1.41 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1uxm s ILE 151 Cb -0.10 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 1uxm s ILE 151 CO 0.30 0.27 0.07 0.00 0.00 0.00 0.00 174.94 175.58 1uxm n ALA 152 N 0.85 0.40 1.17 9.38 0.00 -0.84 -4.76 120.51 126.72 1uxm n ALA 152 Ca 0.00 -1.69 0.13 0.00 0.00 0.00 0.00 53.44 51.88 1uxm n ALA 152 Cb 0.46 1.04 0.25 0.00 0.00 0.00 0.00 19.45 21.20 1uxm n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44