#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 0.00 -4.87 0.00 -1.04 -1.26 -4.82 114.28 102.29 1uxm n THR 2 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 1uxm n THR 2 Cb 0.00 -0.63 -0.16 0.00 -1.82 0.00 0.00 70.33 67.72 1uxm n THR 2 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1uxm s LYS 3 N -1.83 1.78 0.04 -2.82 1.02 -1.26 -0.40 119.74 116.27 1uxm s LYS 3 Ca 0.00 -0.64 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1uxm s LYS 3 Cb 0.00 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.72 1uxm s LYS 3 CO 0.00 0.28 0.04 0.08 -0.92 0.00 0.00 175.35 174.83 1uxm s VAL 4 N -0.06 0.15 -0.00 3.17 1.01 -0.11 -0.43 120.40 124.13 1uxm s VAL 4 Ca -0.02 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 1uxm s VAL 4 Cb -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.31 1uxm s VAL 4 CO 0.02 -0.69 0.13 0.54 0.00 0.00 0.00 175.10 175.09 1uxm s VAL 5 N -2.79 0.08 -0.03 2.92 0.11 0.73 -1.04 120.40 120.38 1uxm s VAL 5 Ca -0.03 -0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 1uxm s VAL 5 Cb -0.00 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.48 1uxm s VAL 5 CO -0.06 -0.35 0.05 0.00 -3.33 0.00 0.00 175.10 171.42 1uxm s VAL 7 N 1.00 4.83 -0.12 0.00 1.01 -1.26 -1.19 120.40 124.67 1uxm s VAL 7 Ca -0.08 -0.37 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1uxm s VAL 7 Cb -0.11 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1uxm s VAL 7 CO -0.03 0.03 0.62 -0.76 0.00 0.00 0.00 175.10 174.96 1uxm s LEU 8 N 1.65 4.26 0.05 3.92 1.43 0.50 -3.90 118.68 126.59 1uxm s LEU 8 Ca 0.05 0.99 -0.04 0.00 -1.03 0.00 0.00 54.13 54.10 1uxm s LEU 8 Cb -0.17 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.10 1uxm s LEU 8 CO 0.08 -0.13 0.06 -0.54 0.23 0.00 0.00 176.35 176.05 1uxm s LYS 9 N 1.06 0.62 0.00 1.70 1.02 -0.74 -2.01 119.74 121.39 1uxm s LYS 9 Ca 0.32 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 55.37 1uxm s LYS 9 Cb -0.16 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1uxm s LYS 9 CO 0.14 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.83 1uxm n GLY 10 N 0.45 3.66 0.03 -3.33 0.00 -1.24 -0.96 105.19 103.79 1uxm n GLY 10 Ca -0.17 -1.20 0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.84 0.46 0.00 1.61 8.00 -1.26 -4.89 116.55 119.62 1uxm n ASP 11 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1uxm n ASP 11 Cb 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 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 1.47 3.85 0.22 0.44 0.00 -1.26 -5.03 105.19 104.87 1uxm n GLY 12 Ca 0.07 -1.86 0.14 0.00 0.00 0.00 0.00 46.02 44.37 1uxm n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uxm n PRO 13 N 0.00 1.05 -2.69 1.61 -0.04 -1.26 -4.91 135.00 128.76 1uxm n PRO 13 Ca 0.00 -0.44 -0.42 0.00 -0.04 0.00 0.00 63.50 62.60 1uxm n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1uxm n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1uxm s VAL 14 N -2.25 4.80 -0.03 0.52 1.01 -1.26 -4.47 120.40 118.73 1uxm s VAL 14 Ca 0.35 2.04 -0.09 0.00 0.00 0.00 0.00 61.98 64.28 1uxm s VAL 14 Cb 0.21 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1uxm s VAL 14 CO 0.42 0.05 0.19 0.00 0.00 0.00 0.00 175.10 175.76 1uxm s GLN 15 N 1.70 0.43 0.17 2.72 -2.07 -0.91 -3.72 119.66 117.99 1uxm s GLN 15 Ca 0.50 -0.12 -0.24 0.00 -1.82 0.00 0.00 55.36 53.68 1uxm s GLN 15 Cb -0.19 0.19 0.06 0.00 -1.09 0.00 0.00 33.01 31.97 1uxm s GLN 15 CO 0.21 -0.10 0.82 0.20 -1.32 0.00 0.00 175.29 175.11 1uxm s GLY 16 N -0.84 -0.27 -0.07 2.60 0.00 -0.85 0.35 107.32 108.24 1uxm s GLY 16 Ca -0.09 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1uxm s GLY 16 CO 0.02 0.04 -0.13 -0.42 0.00 0.00 0.00 173.10 172.61 1uxm s ILE 17 N -3.53 1.21 -0.14 0.90 1.01 -0.67 -0.37 121.20 119.61 1uxm s ILE 17 Ca 0.09 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1uxm s ILE 17 Cb -0.03 -1.10 0.02 0.00 0.01 0.00 0.00 42.46 41.36 1uxm s ILE 17 CO 0.00 0.37 -0.14 -0.63 0.00 0.00 0.00 174.94 174.54 1uxm s ILE 18 N 0.68 1.53 0.17 2.92 -1.09 -0.33 -1.63 121.20 123.44 1uxm s ILE 18 Ca -0.14 -0.61 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1uxm s ILE 18 Cb -0.16 -1.43 -0.06 0.00 -1.58 0.00 0.00 42.46 39.23 1uxm s ILE 18 CO 0.04 0.45 0.46 0.20 -1.23 0.00 0.00 174.94 174.86 1uxm s ASN 19 N 1.42 6.59 0.00 3.58 -0.87 0.84 -0.87 114.94 125.63 1uxm s ASN 19 Ca 0.03 0.79 0.03 0.00 -1.57 0.00 0.00 52.86 52.14 1uxm s ASN 19 Cb -0.13 -2.17 -0.01 0.00 -0.02 0.00 0.00 41.25 38.92 1uxm s ASN 19 CO -0.09 0.02 -0.09 -0.36 -2.57 0.00 0.00 177.10 174.01 1uxm s PHE 20 N -1.68 0.78 -0.09 2.20 0.40 -0.21 -0.56 117.98 118.82 1uxm s PHE 20 Ca 0.42 -0.20 -0.06 0.00 -0.60 0.00 0.00 56.93 56.49 1uxm s PHE 20 Cb -0.12 -0.49 0.03 0.00 0.51 0.00 0.00 43.02 42.95 1uxm s PHE 20 CO 0.22 -0.01 0.23 -2.00 0.70 0.00 0.00 175.22 174.36 1uxm s GLU 21 N -0.44 0.23 -0.17 0.44 2.12 -0.25 -0.93 118.70 119.70 1uxm s GLU 21 Ca 0.02 0.43 -0.02 0.00 0.36 0.00 0.00 54.97 55.75 1uxm s GLU 21 Cb -0.04 -0.01 0.05 0.00 0.26 0.00 0.00 34.13 34.39 1uxm s GLU 21 CO -0.00 -0.10 0.01 -1.14 -0.54 0.00 0.00 175.26 173.49 1uxm s GLN 22 N 0.73 0.81 0.22 4.30 0.74 0.47 -1.00 119.66 125.94 1uxm s GLN 22 Ca -0.05 -0.38 -0.01 0.00 0.05 0.00 0.00 55.36 54.97 1uxm s GLN 22 Cb -0.06 -1.94 0.22 0.00 1.10 0.00 0.00 33.01 32.33 1uxm s GLN 22 CO -0.04 -0.55 1.59 0.87 -0.55 0.00 0.00 175.29 176.60 1uxm h LYS 23 N 8.22 0.55 -4.89 1.67 1.57 -1.84 -3.40 116.57 118.46 1uxm h LYS 23 Ca -0.18 -0.28 -0.32 0.00 -1.87 0.00 0.00 60.65 58.00 1uxm h LYS 23 Cb 1.12 0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.23 1uxm h LYS 23 CO 0.34 0.87 -0.74 -1.21 -0.57 0.00 0.00 179.45 178.13 1uxm s GLU 24 N -4.23 0.72 0.34 3.15 0.41 -1.26 -5.06 118.70 112.77 1uxm s GLU 24 Ca -0.07 -0.97 -0.29 0.00 -0.41 0.00 0.00 54.97 53.23 1uxm s GLU 24 Cb 0.12 -0.50 -0.11 0.00 -1.78 0.00 0.00 34.13 31.86 1uxm s GLU 24 CO 0.82 0.09 1.53 0.43 -0.49 0.00 0.00 175.26 177.65 1uxm n SER 25 N 1.04 3.83 0.00 -0.19 7.64 -1.26 -1.52 113.62 123.16 1uxm n SER 25 Ca -0.20 1.20 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1uxm n SER 25 Cb 0.56 -1.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 1uxm n SER 25 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1uxm n ASN 26 N 1.15 0.00 -3.96 6.43 4.05 -1.26 -4.97 115.26 116.71 1uxm n ASN 26 Ca 0.04 0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.80 1uxm n ASN 26 Cb 0.38 0.00 0.18 0.00 1.23 0.00 0.00 39.78 41.57 1uxm n ASN 26 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1uxm n GLY 27 N -1.39 -1.05 3.75 8.20 0.00 -0.58 -4.99 105.19 109.13 1uxm n GLY 27 Ca 0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.87 1uxm n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1uxm s PRO 28 N -5.63 2.91 -0.15 1.61 0.02 -1.26 -4.84 135.00 127.66 1uxm s PRO 28 Ca 0.71 2.03 -0.00 0.00 0.02 0.00 0.00 61.00 63.75 1uxm s PRO 28 Cb -0.02 -2.02 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1uxm s PRO 28 CO 0.49 -1.31 -0.13 0.08 -0.33 0.00 0.00 177.00 175.80 1uxm s VAL 29 N -1.43 2.95 0.02 3.83 1.01 0.78 -4.35 120.40 123.22 1uxm s VAL 29 Ca 0.77 -0.68 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 1uxm s VAL 29 Cb -0.36 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1uxm s VAL 29 CO 0.40 0.51 0.66 -0.54 0.00 0.00 0.00 175.10 176.13 1uxm s LYS 30 N 0.62 4.38 -0.14 2.72 1.02 -0.17 -1.47 119.74 126.70 1uxm s LYS 30 Ca -0.07 0.86 0.00 0.00 0.02 0.00 0.00 55.97 56.78 1uxm s LYS 30 Cb -0.16 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1uxm s LYS 30 CO 0.03 0.36 -0.12 0.08 -0.92 0.00 0.00 175.35 174.77 1uxm s VAL 31 N -0.21 1.44 0.01 3.17 1.01 0.14 -1.09 120.40 124.87 1uxm s VAL 31 Ca 0.34 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.58 1uxm s VAL 31 Cb -0.19 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.83 1uxm s VAL 31 CO 0.19 0.42 0.36 -1.66 0.00 0.00 0.00 175.10 174.41 1uxm s TRP 32 N 1.54 -0.22 -4.32 5.22 -2.14 0.28 0.45 118.94 119.75 1uxm s TRP 32 Ca 0.05 0.24 0.00 0.00 2.66 0.00 0.00 56.10 59.05 1uxm s TRP 32 Cb -0.13 0.15 0.00 0.00 -3.10 0.00 0.00 33.47 30.39 1uxm s TRP 32 CO -0.10 -0.48 0.00 0.41 -2.66 0.00 0.00 176.95 174.12 1uxm n GLY 33 N 0.87 -0.53 3.02 3.67 0.00 -0.27 -0.11 105.19 111.84 1uxm n GLY 33 Ca -0.20 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1uxm n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uxm s SER 34 N -4.00 -0.12 -0.04 1.61 0.15 -0.65 -0.18 113.70 110.47 1uxm s SER 34 Ca 0.00 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.91 1uxm s SER 34 Cb 0.00 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.58 1uxm s SER 34 CO 0.00 -0.08 -0.14 -0.63 1.20 0.00 0.00 173.24 173.59 1uxm s ILE 35 N -0.08 1.20 0.42 6.45 1.01 -0.15 -1.68 121.20 128.37 1uxm s ILE 35 Ca -0.02 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.13 1uxm s ILE 35 Cb -0.02 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.35 1uxm s ILE 35 CO 0.00 0.36 0.14 -0.54 0.00 0.00 0.00 174.94 174.90 1uxm s LYS 36 N 0.18 2.17 -0.66 2.79 1.02 0.16 -0.37 119.74 125.02 1uxm s LYS 36 Ca -0.05 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.01 1uxm s LYS 36 Cb -0.11 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 1uxm s LYS 36 CO 0.02 -0.12 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1uxm n GLY 37 N -1.20 0.16 3.91 -3.33 0.00 -0.83 -2.13 105.19 101.76 1uxm n GLY 37 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.12 4.12 0.40 0.99 1.43 -0.55 -4.32 118.68 118.63 1uxm s LEU 38 Ca 0.00 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.82 1uxm s LEU 38 Cb 0.00 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.47 1uxm s LEU 38 CO 0.00 -0.04 1.05 0.42 0.23 0.00 0.00 176.35 178.01 1uxm s THR 39 N -2.00 3.74 0.22 5.49 -4.23 -1.26 -4.17 115.64 113.42 1uxm s THR 39 Ca 0.33 1.32 -0.32 0.00 -1.18 0.00 0.00 61.69 61.84 1uxm s THR 39 Cb -0.09 -3.67 -0.14 0.00 1.34 0.00 0.00 72.50 69.94 1uxm s THR 39 CO 0.27 -0.01 1.42 1.21 -0.54 0.00 0.00 174.62 176.97 1uxm n GLU 40 N -0.12 1.97 0.00 3.99 2.13 -1.26 -4.62 120.64 122.73 1uxm n GLU 40 Ca 0.05 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1uxm n GLU 40 Cb 0.50 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.84 1uxm n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1uxm n GLY 41 N 2.37 0.45 3.81 8.31 0.00 -0.35 -4.93 105.19 114.85 1uxm n GLY 41 Ca 0.13 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 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 4.32 -0.06 0.99 1.02 -1.26 -0.49 118.68 123.20 1uxm s LEU 42 Ca 0.00 1.44 -0.02 0.00 0.02 0.00 0.00 54.13 55.57 1uxm s LEU 42 Cb 0.00 -3.67 0.04 0.00 0.02 0.00 0.00 46.19 42.58 1uxm s LEU 42 CO 0.00 0.00 0.13 -1.00 0.02 0.00 0.00 176.35 175.50 1uxm s HIS 43 N -1.57 -0.14 0.43 0.29 3.76 -0.52 -2.90 115.29 114.64 1uxm s HIS 43 Ca 0.45 0.43 -0.26 0.00 -0.15 0.00 0.00 55.06 55.53 1uxm s HIS 43 Cb -0.16 -0.10 -0.09 0.00 1.11 0.00 0.00 32.58 33.34 1uxm s HIS 43 CO 0.21 -0.15 1.41 0.20 -0.85 0.00 0.00 174.74 175.55 1uxm s GLY 44 N 1.12 2.93 -0.20 -2.22 0.00 -0.38 -1.29 107.32 107.29 1uxm s GLY 44 Ca -0.09 1.43 -0.04 0.00 0.00 0.00 0.00 44.72 46.02 1uxm s GLY 44 CO -0.05 2.05 0.20 -0.12 0.00 0.00 0.00 173.10 175.17 1uxm s PHE 45 N -1.20 -0.19 0.05 1.90 5.36 -0.31 -0.67 117.98 122.92 1uxm s PHE 45 Ca 0.59 0.11 -0.06 0.00 -0.96 0.00 0.00 56.93 56.61 1uxm s PHE 45 Cb -0.43 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.81 1uxm s PHE 45 CO 0.56 -0.60 0.11 -1.01 -1.46 0.00 0.00 175.22 172.82 1uxm s HIS 46 N 2.29 0.21 -0.29 10.12 3.76 -0.68 -2.73 115.29 127.97 1uxm s HIS 46 Ca 0.06 -0.56 -0.15 0.00 -0.15 0.00 0.00 55.06 54.26 1uxm s HIS 46 Cb -0.16 -0.14 -0.03 0.00 1.11 0.00 0.00 32.58 33.36 1uxm s HIS 46 CO -0.12 -0.41 0.35 0.08 -0.85 0.00 0.00 174.74 173.79 1uxm s VAL 47 N -3.01 5.18 0.33 -0.90 1.01 -0.06 -1.36 120.40 121.59 1uxm s VAL 47 Ca -0.02 0.43 -0.05 0.00 0.00 0.00 0.00 61.98 62.35 1uxm s VAL 47 Cb 0.01 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1uxm s VAL 47 CO -0.06 0.11 0.60 -1.00 0.00 0.00 0.00 175.10 174.75 1uxm s HIS 48 N 2.04 3.49 0.17 5.22 3.76 0.24 -0.88 115.29 129.33 1uxm s HIS 48 Ca 0.14 0.66 -0.11 0.00 -0.15 0.00 0.00 55.06 55.59 1uxm s HIS 48 Cb -0.16 -2.13 0.06 0.00 1.11 0.00 0.00 32.58 31.46 1uxm s HIS 48 CO 0.10 0.09 1.67 1.49 -0.85 0.00 0.00 174.74 177.24 1uxm h GLU 49 N 1.36 0.94 -5.70 1.40 4.81 -1.09 -2.29 114.58 114.01 1uxm h GLU 49 Ca -0.48 -0.24 -0.66 0.00 -0.13 0.00 0.00 59.36 57.85 1uxm h GLU 49 Cb 1.19 -0.12 -0.18 0.00 0.63 0.00 0.00 28.75 30.28 1uxm h GLU 49 CO 0.65 0.88 -0.64 -0.06 -0.73 0.00 0.00 179.01 179.11 1uxm s PHE 50 N -5.25 3.09 -0.35 0.92 0.08 -0.80 -4.61 117.98 111.06 1uxm s PHE 50 Ca -0.12 -0.01 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 1uxm s PHE 50 Cb 0.13 -1.86 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1uxm s PHE 50 CO 0.82 0.25 2.87 0.41 -0.10 0.00 0.00 175.22 179.46 1uxm n GLY 51 N 2.76 4.04 3.17 4.36 0.00 -1.00 -3.55 105.19 114.96 1uxm n GLY 51 Ca -0.18 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 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 0.68 4.91 -0.32 1.61 -1.08 -1.26 -4.96 116.67 116.25 1uxm s ASP 52 Ca 0.57 -1.32 0.09 0.00 -0.52 0.00 0.00 52.55 51.37 1uxm s ASP 52 Cb 0.35 -1.72 0.57 0.00 -1.46 0.00 0.00 42.92 40.67 1uxm s ASP 52 CO -0.16 -0.28 1.61 -3.20 0.52 0.00 0.00 175.17 173.66 1uxm n ASN 53 N 4.62 3.17 0.21 -0.34 4.05 -1.26 -3.20 115.26 122.50 1uxm n ASN 53 Ca -0.12 -3.60 0.06 0.00 0.45 0.00 0.00 54.58 51.37 1uxm n ASN 53 Cb 0.43 -0.69 0.44 0.00 1.23 0.00 0.00 39.78 41.20 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 177.26 174.92 1uxm h THR 54 N 1.25 0.98 -1.92 -0.44 1.35 -1.93 -3.08 112.91 109.12 1uxm h THR 54 Ca 0.30 -1.16 -0.55 0.00 -0.55 0.00 0.00 66.41 64.46 1uxm h THR 54 Cb 2.00 1.67 -0.41 0.00 -1.73 0.00 0.00 68.15 69.68 1uxm h THR 54 CO 0.58 0.30 -0.82 0.00 -0.25 0.00 0.00 175.52 175.33 1uxm n ALA 55 N -2.37 4.15 -0.80 6.62 0.00 -1.26 -5.04 120.51 121.80 1uxm n ALA 55 Ca -0.01 -4.22 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1uxm n ALA 55 Cb 0.39 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.19 1.46 0.19 0.00 0.00 -1.17 -3.03 105.19 102.47 1uxm n GLY 56 Ca 0.30 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 1.21 0.00 0.00 2.02 -1.89 -2.45 112.91 111.81 1uxm h THR 58 Ca 0.00 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1uxm h THR 58 Cb 0.94 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1uxm h THR 58 CO 0.00 0.21 0.00 -1.54 0.37 0.00 0.00 175.52 174.56 1uxm n SER 59 N -4.48 0.00 0.01 4.18 3.41 -1.23 -2.69 113.62 112.81 1uxm n SER 59 Ca 0.10 -0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.71 1uxm n SER 59 Cb 0.02 -0.21 0.37 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.21 1.77 -0.40 7.33 0.00 -0.92 -4.51 120.51 122.57 1uxm n ALA 60 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1uxm n ALA 60 Cb 0.10 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.24 -0.90 0.18 0.00 0.00 -1.10 -1.91 105.19 101.70 1uxm n GLY 61 Ca 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.27 0.25 -2.31 1.61 -0.04 -1.26 -4.65 135.00 128.32 1uxm n PRO 62 Ca 0.00 -0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 62.97 1uxm n PRO 62 Cb 0.00 -0.05 -0.02 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.56 3.06 0.05 0.54 3.76 -1.26 -1.12 115.29 119.76 1uxm s HIS 63 Ca 0.03 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.20 1uxm s HIS 63 Cb -0.00 -3.36 -0.09 0.00 1.11 0.00 0.00 32.58 30.23 1uxm s HIS 63 CO 0.02 -1.28 1.96 0.12 -0.85 0.00 0.00 174.74 174.71 1uxm s PHE 64 N -1.46 1.37 -0.40 1.40 5.36 -0.05 -4.50 117.98 119.70 1uxm s PHE 64 Ca 0.58 -0.42 0.09 0.00 -0.96 0.00 0.00 56.93 56.22 1uxm s PHE 64 Cb -0.29 -4.25 0.30 0.00 -0.34 0.00 0.00 43.02 38.44 1uxm s PHE 64 CO 0.37 -5.53 0.74 -1.71 -1.46 0.00 0.00 175.22 167.63 1uxm n ASN 65 N 7.32 -0.23 0.27 6.13 5.15 -1.26 -1.33 115.26 131.31 1uxm n ASN 65 Ca 0.20 -3.05 0.18 0.00 -0.60 0.00 0.00 54.58 51.31 1uxm n ASN 65 Cb 0.41 0.01 0.85 0.00 -0.53 0.00 0.00 39.78 40.51 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 3.40 0.00 -0.52 1.20 0.13 -1.93 -2.06 132.00 132.22 1uxm h PRO 66 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1uxm h PRO 66 Cb 0.97 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1uxm h PRO 66 CO 0.41 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1uxm n LEU 67 N -2.91 3.13 -3.83 1.56 4.77 -1.26 -4.97 117.00 113.48 1uxm n LEU 67 Ca -0.01 -1.50 -0.30 0.00 -0.03 0.00 0.00 56.01 54.18 1uxm n LEU 67 Cb 0.19 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 1uxm n LEU 67 CO 0.22 0.75 -0.15 -1.20 -1.33 0.00 0.00 177.39 175.68 1uxm n SER 68 N 1.22 -2.95 -4.87 -1.43 7.64 -0.78 -4.99 113.62 107.47 1uxm n SER 68 Ca 0.20 -1.03 -0.27 0.00 1.01 0.00 0.00 58.87 58.78 1uxm n SER 68 Cb 0.51 -3.12 -0.02 0.00 -1.01 0.00 0.00 64.21 60.57 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 -6.35 2.26 0.53 1.43 0.52 -1.26 -5.14 118.95 110.94 1uxm s ARG 69 Ca 0.26 -2.04 -0.04 0.00 -0.52 0.00 0.00 55.73 53.39 1uxm s ARG 69 Cb -0.10 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.35 1uxm s ARG 69 CO 0.88 -0.52 0.82 0.15 0.02 0.00 0.00 175.30 176.65 1uxm s LYS 70 N -4.18 3.07 0.32 3.54 1.02 -1.26 -4.73 119.74 117.52 1uxm s LYS 70 Ca 0.31 -0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.92 1uxm s LYS 70 Cb -0.01 -2.37 -0.09 0.00 -0.52 0.00 0.00 37.83 34.84 1uxm s LYS 70 CO 0.19 -0.49 1.10 -1.58 -0.92 0.00 0.00 175.35 173.64 1uxm s HIS 71 N -2.82 3.45 0.00 3.18 5.65 -0.54 -2.82 115.29 121.38 1uxm s HIS 71 Ca 0.51 1.67 0.00 0.00 0.25 0.00 0.00 55.06 57.49 1uxm s HIS 71 Cb -0.10 -3.26 0.00 0.00 -1.18 0.00 0.00 32.58 28.04 1uxm s HIS 71 CO 0.43 -0.66 0.00 0.41 -0.65 0.00 0.00 174.74 174.27 1uxm n GLY 72 N 0.92 2.95 3.95 1.59 0.00 -1.25 -4.29 105.19 109.08 1uxm n GLY 72 Ca 0.01 -1.08 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.60 1.76 0.57 -0.02 0.00 -1.23 -4.71 107.32 103.09 1uxm s GLY 73 Ca 0.00 -1.14 0.27 0.00 0.00 0.00 0.00 44.72 43.85 1uxm s GLY 73 CO 0.00 -0.82 2.20 -0.56 0.00 0.00 0.00 173.10 173.93 1uxm h PRO 74 N -0.19 0.00 -0.02 2.90 0.13 -1.86 -0.42 132.00 132.54 1uxm h PRO 74 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1uxm h PRO 74 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1uxm h PRO 74 CO 0.56 0.03 -0.07 1.63 -0.23 0.00 0.00 178.00 179.92 1uxm n LYS 75 N -3.90 1.57 -2.98 0.86 4.76 -1.26 -4.90 118.16 112.32 1uxm n LYS 75 Ca -0.03 -1.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.02 1uxm n LYS 75 Cb 0.12 -1.48 -0.06 0.00 -1.84 0.00 0.00 35.03 31.77 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 -2.12 7.36 0.18 4.39 1.01 -0.17 -4.96 116.67 122.36 1uxm s ASP 76 Ca 0.33 1.64 -0.08 0.00 0.71 0.00 0.00 52.55 55.15 1uxm s ASP 76 Cb 0.20 -2.50 0.07 0.00 1.01 0.00 0.00 42.92 41.71 1uxm s ASP 76 CO 0.38 0.17 1.59 -0.08 0.21 0.00 0.00 175.17 177.43 1uxm h GLU 77 N 4.13 0.94 -5.46 8.23 4.81 -1.90 -3.35 114.58 121.98 1uxm h GLU 77 Ca -0.47 -0.38 -0.64 0.00 -0.13 0.00 0.00 59.36 57.74 1uxm h GLU 77 Cb 1.20 -0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.39 1uxm h GLU 77 CO 0.66 1.04 0.41 -2.00 -0.73 0.00 0.00 179.01 178.40 1uxm s GLU 78 N -4.70 3.20 0.11 1.92 2.56 -1.26 -4.96 118.70 115.57 1uxm s GLU 78 Ca -0.11 -0.64 -0.25 0.00 0.00 0.00 0.00 54.97 53.97 1uxm s GLU 78 Cb 0.13 -4.13 0.07 0.00 2.00 0.00 0.00 34.13 32.20 1uxm s GLU 78 CO 0.86 -1.53 0.82 -0.98 -0.56 0.00 0.00 175.26 173.87 1uxm s ARG 79 N 3.61 1.14 0.38 4.30 1.04 -1.13 -3.75 118.95 124.54 1uxm s ARG 79 Ca 0.23 -0.52 -0.23 0.00 -1.04 0.00 0.00 55.73 54.17 1uxm s ARG 79 Cb -0.16 0.46 -0.10 0.00 -2.04 0.00 0.00 34.95 33.11 1uxm s ARG 79 CO 0.14 -0.51 0.95 -1.01 -0.04 0.00 0.00 175.30 174.83 1uxm s HIS 80 N -3.41 3.47 0.38 5.89 3.76 -1.19 -4.69 115.29 119.50 1uxm s HIS 80 Ca 0.07 1.69 0.14 0.00 -0.15 0.00 0.00 55.06 56.80 1uxm s HIS 80 Cb -0.02 -2.90 0.98 0.00 1.11 0.00 0.00 32.58 31.75 1uxm s HIS 80 CO -0.05 -0.00 1.82 0.28 -0.85 0.00 0.00 174.74 175.93 1uxm h VAL 81 N 2.22 0.66 0.00 -0.90 2.07 -1.86 -1.18 116.25 117.26 1uxm h VAL 81 Ca -0.48 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1uxm h VAL 81 Cb 1.19 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1uxm h VAL 81 CO 0.63 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1uxm n GLY 82 N -1.45 -0.85 3.53 2.17 0.00 -0.44 -4.22 105.19 103.93 1uxm n GLY 82 Ca 0.22 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.73 6.19 0.00 1.61 1.01 -0.45 -0.88 116.67 121.42 1uxm s ASP 83 Ca 0.11 -0.64 0.20 0.00 0.71 0.00 0.00 52.55 52.93 1uxm s ASP 83 Cb 0.10 -2.53 0.47 0.00 1.01 0.00 0.00 42.92 41.96 1uxm s ASP 83 CO 0.24 -1.73 1.40 0.18 0.21 0.00 0.00 175.17 175.46 1uxm n LEU 84 N 9.00 3.48 0.00 1.23 4.77 -1.11 -3.52 117.00 130.86 1uxm n LEU 84 Ca 0.04 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.26 1uxm n LEU 84 Cb 0.48 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1uxm n LEU 84 CO 0.69 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 178.18 1uxm n GLY 85 N 1.33 0.46 3.42 -0.72 0.00 -1.19 -4.78 105.19 103.71 1uxm n GLY 85 Ca 0.19 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 3.43 0.24 1.61 0.01 -1.26 -1.16 114.94 113.82 1uxm s ASN 86 Ca 0.00 -0.87 0.11 0.00 -0.71 0.00 0.00 52.86 51.39 1uxm s ASN 86 Cb 0.00 -0.25 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 1uxm s ASN 86 CO 0.00 0.12 -0.14 0.68 -1.51 0.00 0.00 177.10 176.25 1uxm s VAL 87 N -1.67 2.82 -0.17 1.60 -7.23 -0.41 -4.92 120.40 110.43 1uxm s VAL 87 Ca 0.21 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1uxm s VAL 87 Cb -0.08 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1uxm s VAL 87 CO 0.10 -0.29 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.55 1uxm s THR 88 N -2.17 2.58 -0.08 5.32 2.01 -1.26 -1.43 115.64 120.60 1uxm s THR 88 Ca 0.28 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 1uxm s THR 88 Cb -0.07 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1uxm s THR 88 CO 0.15 0.51 0.33 0.00 -0.69 0.00 0.00 174.62 174.93 1uxm s ALA 89 N 0.99 3.67 0.94 7.40 0.00 0.36 -4.16 121.76 130.97 1uxm s ALA 89 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1uxm s ALA 89 Cb -0.15 -2.34 0.15 0.00 0.00 0.00 0.00 23.12 20.78 1uxm s ALA 89 CO -0.03 0.34 0.92 -0.40 0.00 0.00 0.00 175.76 176.59 1uxm n ASP 90 N 2.58 0.21 0.24 0.00 5.68 0.23 -1.21 116.55 124.28 1uxm n ASP 90 Ca -0.14 -1.42 0.17 0.00 -0.50 0.00 0.00 54.79 52.90 1uxm n ASP 90 Cb 0.53 -0.69 0.87 0.00 -1.14 0.00 0.00 41.12 40.68 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 0.00 -0.01 0.11 2.10 -1.97 0.13 116.57 116.93 1uxm h LYS 91 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1uxm h LYS 91 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 1uxm h LYS 91 CO 0.22 0.00 -0.07 -0.25 -2.00 0.00 0.00 179.45 177.35 1uxm n ASP 92 N -3.74 0.63 0.00 7.07 8.00 -1.26 -4.87 116.55 122.38 1uxm n ASP 92 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1uxm n ASP 92 Cb 0.26 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 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 1.21 0.60 3.45 0.44 0.00 0.46 -4.70 105.19 106.65 1uxm n GLY 93 Ca 0.17 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 3.80 -0.27 1.61 1.01 -1.25 -1.48 120.40 121.82 1uxm s VAL 94 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1uxm s VAL 94 Cb 0.00 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1uxm s VAL 94 CO 0.00 0.46 0.10 0.00 0.00 0.00 0.00 175.10 175.66 1uxm s ALA 95 N 0.77 3.22 -0.32 5.51 0.00 0.50 -0.61 121.76 130.83 1uxm s ALA 95 Ca -0.01 -1.19 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 1uxm s ALA 95 Cb -0.14 -2.18 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1uxm s ALA 95 CO 0.02 -0.59 0.55 -0.51 0.00 0.00 0.00 175.76 175.23 1uxm s ASP 96 N 1.63 6.39 -0.16 0.00 -0.00 -1.26 -0.98 116.67 122.29 1uxm s ASP 96 Ca 0.06 0.23 -0.09 0.00 -0.00 0.00 0.00 52.55 52.74 1uxm s ASP 96 Cb -0.16 -2.29 -0.05 0.00 -0.00 0.00 0.00 42.92 40.43 1uxm s ASP 96 CO 0.05 -0.44 0.15 -0.69 -0.00 0.00 0.00 175.17 174.23 1uxm s VAL 97 N 2.46 5.44 -0.26 -1.27 1.01 0.75 -4.82 120.40 123.71 1uxm s VAL 97 Ca 0.21 0.22 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 1uxm s VAL 97 Cb -0.15 -3.45 0.14 0.00 0.00 0.00 0.00 36.38 32.92 1uxm s VAL 97 CO 0.12 0.51 0.41 -0.55 0.00 0.00 0.00 175.10 175.60 1uxm s SER 98 N -0.23 -0.01 0.03 3.32 0.15 -1.25 -1.11 113.70 114.61 1uxm s SER 98 Ca 0.11 0.29 0.02 0.00 0.70 0.00 0.00 55.95 57.07 1uxm s SER 98 Cb -0.12 1.28 -0.02 0.00 -1.71 0.00 0.00 66.02 65.46 1uxm s SER 98 CO 0.01 -0.30 -0.07 -0.63 1.20 0.00 0.00 173.24 173.45 1uxm s ILE 99 N 2.59 0.53 -0.10 6.45 1.01 0.17 -5.00 121.20 126.86 1uxm s ILE 99 Ca 0.14 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 60.04 1uxm s ILE 99 Cb -0.15 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.79 1uxm s ILE 99 CO -0.18 -0.18 -0.18 -0.70 0.00 0.00 0.00 174.94 173.70 1uxm s GLU 100 N -1.04 2.46 0.01 2.79 2.12 -1.26 0.23 118.70 124.01 1uxm s GLU 100 Ca -0.05 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.63 1uxm s GLU 100 Cb -0.07 -1.96 -0.01 0.00 0.26 0.00 0.00 34.13 32.35 1uxm s GLU 100 CO 0.00 0.05 -0.06 0.34 -0.54 0.00 0.00 175.26 175.06 1uxm s ASP 101 N 0.66 0.64 0.00 -1.70 2.15 -0.54 -4.95 116.67 112.92 1uxm s ASP 101 Ca -0.13 -0.19 0.09 0.00 0.43 0.00 0.00 52.55 52.75 1uxm s ASP 101 Cb -0.16 -0.04 0.25 0.00 -0.30 0.00 0.00 42.92 42.67 1uxm s ASP 101 CO 0.03 -0.00 1.19 -1.20 -0.17 0.00 0.00 175.17 175.03 1uxm n SER 102 N 2.62 2.74 -0.14 -0.34 7.64 -1.26 -0.16 113.62 124.72 1uxm n SER 102 Ca -0.15 -1.96 -0.29 0.00 1.01 0.00 0.00 58.87 57.47 1uxm n SER 102 Cb 0.57 -0.19 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.39 1.52 -0.92 0.44 0.31 -1.26 -4.86 118.33 113.95 1uxm n VAL 103 Ca 0.10 -0.40 -0.31 0.00 -0.01 0.00 0.00 64.34 63.73 1uxm n VAL 103 Cb 0.39 -1.86 0.15 0.00 -0.91 0.00 0.00 33.84 31.61 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 -2.51 2.52 0.12 2.52 -4.36 -1.26 -4.83 121.20 113.39 1uxm s ILE 104 Ca -0.39 0.17 -0.13 0.00 -0.26 0.00 0.00 60.65 60.04 1uxm s ILE 104 Cb 0.15 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1uxm s ILE 104 CO 0.49 -0.22 0.32 -0.55 0.24 0.00 0.00 174.94 175.22 1uxm s SER 105 N -2.97 -0.09 -0.08 4.36 0.15 -1.04 -4.69 113.70 109.35 1uxm s SER 105 Ca 0.65 -0.48 0.15 0.00 0.70 0.00 0.00 55.95 56.97 1uxm s SER 105 Cb -0.21 0.42 0.50 0.00 -1.71 0.00 0.00 66.02 65.03 1uxm s SER 105 CO 0.58 -0.82 1.42 0.18 1.20 0.00 0.00 173.24 175.81 1uxm n LEU 106 N -0.17 3.75 -3.74 3.45 4.77 -1.26 -1.57 117.00 122.23 1uxm n LEU 106 Ca -0.15 -2.38 -0.10 0.00 -0.03 0.00 0.00 56.01 53.35 1uxm n LEU 106 Cb 0.63 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1uxm n LEU 106 CO 0.19 0.76 0.14 -0.94 -1.33 0.00 0.00 177.39 176.21 1uxm s SER 107 N -1.21 -0.16 0.35 -1.43 1.04 -1.26 -4.28 113.70 106.74 1uxm s SER 107 Ca 0.37 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1uxm s SER 107 Cb 0.24 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1uxm s SER 107 CO 0.18 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.09 1uxm n GLY 108 N -0.25 -0.21 0.19 7.32 0.00 -1.26 -3.52 105.19 107.46 1uxm n GLY 108 Ca -0.12 -1.02 0.03 0.00 0.00 0.00 0.00 46.02 44.90 1uxm n GLY 108 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uxm h ASP 109 N 5.03 0.00 -0.72 1.61 3.32 -2.01 -2.80 116.42 120.86 1uxm h ASP 109 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1uxm h ASP 109 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1uxm h ASP 109 CO 0.00 0.37 0.24 1.41 -1.72 0.00 0.00 179.24 179.54 1uxm n HIS 110 N -4.05 2.42 -1.98 4.55 8.25 -1.26 -4.97 115.22 118.18 1uxm n HIS 110 Ca -0.02 -1.12 -0.41 0.00 -0.26 0.00 0.00 57.72 55.91 1uxm n HIS 110 Cb 0.41 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.83 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 2.42 0.09 -1.95 0.00 -5.35 -0.61 -4.92 119.36 109.04 1uxm n ILE 112 Ca 0.07 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.59 1uxm n ILE 112 Cb 0.40 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.48 1uxm n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1uxm s ILE 113 N -1.10 2.57 0.00 7.28 1.01 -1.26 -1.46 121.20 128.25 1uxm s ILE 113 Ca 0.17 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1uxm s ILE 113 Cb 0.11 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1uxm s ILE 113 CO 0.17 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1uxm n GLY 114 N 2.85 0.80 0.00 6.18 0.00 0.67 -4.99 105.19 110.69 1uxm n GLY 114 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.16 1.74 -5.03 1.61 1.74 -0.54 -2.39 116.66 111.63 1uxm n ARG 115 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1uxm n ARG 115 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 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 1.03 1.78 -0.11 0.55 2.01 -0.86 -0.69 115.64 119.35 1uxm s THR 116 Ca 0.00 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 1uxm s THR 116 Cb 0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1uxm s THR 116 CO 0.00 0.50 0.69 -0.22 -0.69 0.00 0.00 174.62 174.89 1uxm s LEU 117 N 0.37 4.26 -0.04 4.42 2.96 -0.15 0.82 118.68 131.32 1uxm s LEU 117 Ca -0.16 1.09 0.05 0.00 -0.22 0.00 0.00 54.13 54.89 1uxm s LEU 117 Cb -0.17 -3.04 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 1uxm s LEU 117 CO 0.07 -0.17 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.06 1uxm s VAL 118 N 1.16 1.47 -0.09 1.68 1.01 -0.46 -1.76 120.40 123.41 1uxm s VAL 118 Ca 0.35 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1uxm s VAL 118 Cb -0.17 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1uxm s VAL 118 CO 0.15 0.42 -0.19 0.54 0.00 0.00 0.00 175.10 176.03 1uxm s VAL 119 N -0.08 2.60 0.30 2.92 0.11 -0.68 -1.69 120.40 123.87 1uxm s VAL 119 Ca -0.01 -0.85 0.07 0.00 -2.93 0.00 0.00 61.98 58.25 1uxm s VAL 119 Cb -0.11 -2.02 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 1uxm s VAL 119 CO 0.02 0.56 0.31 -1.00 -3.33 0.00 0.00 175.10 171.65 1uxm s HIS 120 N -0.00 3.07 0.21 1.54 3.76 0.15 -1.06 115.29 122.95 1uxm s HIS 120 Ca -0.06 -0.20 -0.10 0.00 -0.15 0.00 0.00 55.06 54.55 1uxm s HIS 120 Cb -0.15 -1.70 0.18 0.00 1.11 0.00 0.00 32.58 32.02 1uxm s HIS 120 CO 0.05 0.27 1.85 1.49 -0.85 0.00 0.00 174.74 177.55 1uxm h GLU 121 N 1.23 0.85 -5.05 1.40 4.81 -0.82 -3.38 114.58 113.62 1uxm h GLU 121 Ca -0.47 -0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.19 1uxm h GLU 121 Cb 1.25 -0.19 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 1uxm h GLU 121 CO 0.58 0.56 -0.54 0.15 -0.73 0.00 0.00 179.01 179.03 1uxm s LYS 122 N -6.12 1.82 0.36 1.92 1.02 0.39 -4.91 119.74 114.21 1uxm s LYS 122 Ca -0.13 -2.08 -0.28 0.00 0.02 0.00 0.00 55.97 53.50 1uxm s LYS 122 Cb 0.15 -0.57 -0.10 0.00 -0.52 0.00 0.00 37.83 36.79 1uxm s LYS 122 CO 0.77 -0.42 1.34 0.00 -0.92 0.00 0.00 175.35 176.12 1uxm s ALA 123 N -3.29 3.47 -0.06 5.17 0.00 -1.14 -1.24 121.76 124.65 1uxm s ALA 123 Ca 0.28 1.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1uxm s ALA 123 Cb 0.04 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1uxm s ALA 123 CO 0.15 -0.77 1.38 0.34 0.00 0.00 0.00 175.76 176.87 1uxm s ASP 124 N -0.46 6.87 0.00 0.00 -1.08 -1.26 -4.01 116.67 116.72 1uxm s ASP 124 Ca 0.51 1.98 0.13 0.00 -0.52 0.00 0.00 52.55 54.66 1uxm s ASP 124 Cb -0.41 -2.55 0.73 0.00 -1.46 0.00 0.00 42.92 39.23 1uxm s ASP 124 CO 0.54 -0.75 1.48 -0.90 0.52 0.00 0.00 175.17 176.06 1uxm n ASP 125 N 6.00 0.22 -1.91 -0.34 5.68 0.87 -4.89 116.55 122.17 1uxm n ASP 125 Ca 0.14 -1.63 -0.20 0.00 -0.50 0.00 0.00 54.79 52.59 1uxm n ASP 125 Cb 0.44 -0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.56 -1.69 0.00 -2.12 4.77 -1.26 -1.91 117.00 114.23 1uxm n LEU 126 Ca 0.10 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1uxm n LEU 126 Cb 0.08 -2.81 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 1uxm n LEU 126 CO 0.08 -0.64 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1uxm n GLY 127 N -0.76 0.75 1.47 -0.72 0.00 -1.25 -3.52 105.19 101.16 1uxm n GLY 127 Ca -0.22 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.39 3.45 0.12 1.61 5.02 -0.80 -4.64 118.16 120.52 1uxm n LYS 128 Ca 0.00 -3.03 0.13 0.00 -2.02 0.00 0.00 58.31 53.39 1uxm n LYS 128 Cb 0.00 -2.05 0.36 0.00 -0.02 0.00 0.00 35.03 33.33 1uxm n LYS 128 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1uxm h GLY 129 N 2.42 0.00 0.00 0.72 0.00 -1.90 -3.48 103.07 100.83 1uxm h GLY 129 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1uxm h GLY 129 CO 0.46 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.61 1uxm n GLY 130 N 1.28 0.54 3.54 4.60 0.00 -1.26 -4.99 105.19 108.90 1uxm n GLY 130 Ca 0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.81 -0.12 0.20 1.61 2.20 -1.26 -5.06 114.94 109.70 1uxm s ASN 131 Ca 0.00 -0.79 -0.11 0.00 -0.94 0.00 0.00 52.86 51.02 1uxm s ASN 131 Cb 0.00 0.56 0.17 0.00 -2.00 0.00 0.00 41.25 39.98 1uxm s ASN 131 CO 0.00 -1.08 1.84 -0.08 -2.94 0.00 0.00 177.10 174.84 1uxm h GLU 132 N 2.28 0.78 -0.78 3.55 4.81 -2.00 -1.63 114.58 121.60 1uxm h GLU 132 Ca -0.27 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1uxm h GLU 132 Cb 1.25 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 1uxm h GLU 132 CO 0.38 0.52 0.51 1.49 -0.73 0.00 0.00 179.01 181.17 1uxm h GLU 133 N 0.80 0.88 -0.94 1.92 4.57 -1.99 -1.26 114.58 118.56 1uxm h GLU 133 Ca 0.27 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1uxm h GLU 133 Cb 0.02 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.36 1uxm h GLU 133 CO -0.11 0.59 0.62 1.03 -1.18 0.00 0.00 179.01 179.96 1uxm h SER 134 N 0.91 1.06 0.31 1.04 0.87 -1.64 0.26 113.55 116.36 1uxm h SER 134 Ca 0.32 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 1uxm h SER 134 Cb 0.12 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1uxm h SER 134 CO -0.10 0.75 0.00 0.35 -0.53 0.00 0.00 176.83 177.30 1uxm n THR 135 N -4.41 0.06 -0.06 2.23 -2.24 -0.50 -1.54 114.28 107.81 1uxm n THR 135 Ca 0.12 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.77 1uxm n THR 135 Cb 0.05 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.68 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 -1.17 0.27 0.00 -0.78 5.02 -0.10 -1.47 118.16 119.93 1uxm n LYS 136 Ca 0.17 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1uxm n LYS 136 Cb 0.17 -0.95 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 -3.57 0.11 -1.39 -0.18 -2.24 0.71 -4.72 114.28 103.01 1uxm n THR 137 Ca -0.25 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 1uxm n THR 137 Cb 0.68 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 70.06 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 -0.05 1.11 2.96 3.38 0.00 -0.59 -3.21 105.19 108.79 1uxm n GLY 138 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 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 0.23 -4.41 0.00 1.61 3.02 -1.25 -0.09 115.26 114.37 1uxm n ASN 139 Ca -0.11 -0.17 0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1uxm n ASN 139 Cb 0.38 -3.65 0.46 0.00 -0.61 0.00 0.00 39.78 36.36 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 -3.06 1.98 -0.09 5.41 0.00 -1.20 -4.74 120.51 118.81 1uxm n ALA 140 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1uxm n ALA 140 Cb 0.59 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 0.55 -0.52 3.77 0.00 0.00 -1.26 -0.46 105.19 107.28 1uxm n GLY 141 Ca 0.07 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 1uxm n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxm s SER 142 N -4.00 4.31 -0.46 1.61 1.04 -1.26 -4.66 113.70 110.28 1uxm s SER 142 Ca 0.00 1.51 -0.18 0.00 0.48 0.00 0.00 55.95 57.76 1uxm s SER 142 Cb 0.00 -2.24 0.04 0.00 0.10 0.00 0.00 66.02 63.92 1uxm s SER 142 CO 0.00 -2.11 0.51 -0.13 0.98 0.00 0.00 173.24 172.49 1uxm s ARG 143 N -5.02 3.10 0.01 4.02 0.52 -1.26 -0.70 118.95 119.61 1uxm s ARG 143 Ca 0.61 -0.88 -0.14 0.00 -0.52 0.00 0.00 55.73 54.80 1uxm s ARG 143 Cb -0.16 -4.04 -0.34 0.00 0.52 0.00 0.00 34.95 30.93 1uxm s ARG 143 CO 0.56 -1.03 0.91 -0.07 0.02 0.00 0.00 175.30 175.69 1uxm h LEU 144 N 9.29 0.77 -7.48 2.53 3.38 -1.40 -3.47 115.31 118.93 1uxm h LEU 144 Ca -0.27 -0.90 -0.07 0.00 0.09 0.00 0.00 57.88 56.73 1uxm h LEU 144 Cb 1.10 -0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.46 1uxm h LEU 144 CO 0.88 1.72 -0.15 0.00 0.09 0.00 0.00 178.44 180.98 1uxm s ALA 145 N -2.60 -0.80 0.29 1.53 0.00 -1.08 -3.99 121.76 115.11 1uxm s ALA 145 Ca -0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.62 1uxm s ALA 145 Cb 0.05 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.74 1uxm s ALA 145 CO 0.92 -0.56 0.64 0.00 0.00 0.00 0.00 175.76 176.76 1uxm s GLY 147 N -2.99 -0.47 0.20 0.00 0.00 -0.72 -1.80 107.32 101.54 1uxm s GLY 147 Ca 0.16 1.04 -0.27 0.00 0.00 0.00 0.00 44.72 45.65 1uxm s GLY 147 CO 0.09 0.37 0.85 0.14 0.00 0.00 0.00 173.10 174.54 1uxm s VAL 148 N -3.04 4.25 -0.24 1.40 1.01 -1.26 -0.98 120.40 121.54 1uxm s VAL 148 Ca 0.04 1.86 -0.23 0.00 0.00 0.00 0.00 61.98 63.64 1uxm s VAL 148 Cb -0.01 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.15 1uxm s VAL 148 CO -0.09 0.50 0.78 -0.63 0.00 0.00 0.00 175.10 175.66 1uxm s ILE 149 N -1.18 4.88 0.18 2.22 1.01 0.13 -4.43 121.20 124.01 1uxm s ILE 149 Ca 0.38 1.46 0.05 0.00 0.00 0.00 0.00 60.65 62.55 1uxm s ILE 149 Cb -0.24 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1uxm s ILE 149 CO 0.28 -0.03 -0.10 -0.83 0.00 0.00 0.00 174.94 174.26 1uxm s GLY 150 N 1.34 1.27 0.09 6.18 0.00 -0.38 -0.24 107.32 115.58 1uxm s GLY 150 Ca 0.33 -1.59 -0.31 0.00 0.00 0.00 0.00 44.72 43.15 1uxm s GLY 150 CO 0.08 -1.66 1.44 -0.42 0.00 0.00 0.00 173.10 172.54 1uxm s ILE 151 N -3.22 3.27 0.28 0.90 1.01 -1.26 -0.19 121.20 121.99 1uxm s ILE 151 Ca 0.20 0.85 0.07 0.00 0.00 0.00 0.00 60.65 61.78 1uxm s ILE 151 Cb 0.02 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1uxm s ILE 151 CO 0.04 0.04 0.22 0.00 0.00 0.00 0.00 174.94 175.24 1uxm s ALA 152 N 1.55 3.65 -2.00 9.38 0.00 0.42 -4.75 121.76 130.01 1uxm s ALA 152 Ca 0.66 -1.52 0.15 0.00 0.00 0.00 0.00 51.96 51.26 1uxm s ALA 152 Cb -0.37 -1.22 0.90 0.00 0.00 0.00 0.00 23.12 22.43 1uxm s ALA 152 CO 0.30 0.17 1.32 0.94 0.00 0.00 0.00 175.76 178.49