#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 -4.67 0.00 -1.04 -1.26 -4.78 114.28 102.54 1uxm n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 1uxm n THR 2 Cb 0.00 -0.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.85 2.98 0.08 -2.82 1.02 -1.26 -1.09 119.74 116.80 1uxm s LYS 3 Ca 0.00 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.15 1uxm s LYS 3 Cb 0.00 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1uxm s LYS 3 CO 0.00 -0.02 -0.05 0.08 -0.92 0.00 0.00 175.35 174.45 1uxm s VAL 4 N 0.82 0.47 0.01 3.17 1.01 -0.55 -0.81 120.40 124.52 1uxm s VAL 4 Ca -0.07 -1.87 -0.12 0.00 0.00 0.00 0.00 61.98 59.91 1uxm s VAL 4 Cb -0.15 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.64 1uxm s VAL 4 CO -0.02 -0.93 0.26 0.54 0.00 0.00 0.00 175.10 174.95 1uxm s VAL 5 N -3.75 0.08 -0.03 2.92 0.11 -0.06 -0.87 120.40 118.80 1uxm s VAL 5 Ca 0.09 -0.64 0.01 0.00 -2.93 0.00 0.00 61.98 58.51 1uxm s VAL 5 Cb 0.06 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1uxm s VAL 5 CO -0.07 -0.35 -0.01 0.00 -3.33 0.00 0.00 175.10 171.34 1uxm s VAL 7 N 0.88 4.61 -0.15 0.00 1.01 -1.26 -1.44 120.40 124.05 1uxm s VAL 7 Ca -0.09 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 1uxm s VAL 7 Cb -0.12 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1uxm s VAL 7 CO -0.01 0.08 0.64 -0.76 0.00 0.00 0.00 175.10 175.05 1uxm s LEU 8 N 1.62 4.22 0.01 3.92 1.02 0.37 -3.91 118.68 125.92 1uxm s LEU 8 Ca 0.05 0.95 -0.04 0.00 0.02 0.00 0.00 54.13 55.11 1uxm s LEU 8 Cb -0.17 -2.94 -0.01 0.00 0.02 0.00 0.00 46.19 43.10 1uxm s LEU 8 CO 0.06 -0.19 0.06 -0.54 0.02 0.00 0.00 176.35 175.76 1uxm s LYS 9 N 1.40 0.41 0.00 1.70 1.02 -0.84 -1.51 119.74 121.92 1uxm s LYS 9 Ca 0.31 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1uxm s LYS 9 Cb -0.16 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.31 1uxm s LYS 9 CO 0.13 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1uxm n GLY 10 N 1.52 4.21 0.29 -3.33 0.00 -1.22 -1.11 105.19 105.53 1uxm n GLY 10 Ca -0.23 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.35 1.17 0.00 1.61 8.00 -1.25 -4.92 116.55 120.81 1uxm n ASP 11 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1uxm n ASP 11 Cb 0.00 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 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 1.34 4.98 0.00 0.44 0.00 -1.26 -5.01 105.19 105.68 1uxm n GLY 12 Ca 0.12 -1.90 0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 0.25 -2.23 1.61 -0.02 -1.26 -4.87 135.00 128.47 1uxm n PRO 13 Ca 0.00 -0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1uxm n PRO 13 Cb 0.00 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1uxm n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1uxm s VAL 14 N -2.76 3.96 0.02 -1.45 1.01 -1.26 -4.36 120.40 115.55 1uxm s VAL 14 Ca 0.22 1.15 -0.11 0.00 0.00 0.00 0.00 61.98 63.24 1uxm s VAL 14 Cb 0.20 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1uxm s VAL 14 CO 0.50 -0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.72 1uxm s GLN 15 N 3.78 0.66 0.09 2.72 -2.07 -1.04 -3.45 119.66 120.34 1uxm s GLN 15 Ca 0.63 -0.42 -0.27 0.00 -1.82 0.00 0.00 55.36 53.48 1uxm s GLN 15 Cb -0.27 0.28 0.09 0.00 -1.09 0.00 0.00 33.01 32.02 1uxm s GLN 15 CO 0.22 -0.19 1.09 0.20 -1.32 0.00 0.00 175.29 175.29 1uxm s GLY 16 N -1.69 -0.26 -0.05 2.60 0.00 -0.57 -0.65 107.32 106.69 1uxm s GLY 16 Ca -0.10 0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.93 1uxm s GLY 16 CO 0.00 0.38 -0.12 -0.42 0.00 0.00 0.00 173.10 172.94 1uxm s ILE 17 N -2.86 1.09 -0.09 0.90 1.01 -0.38 -0.48 121.20 120.39 1uxm s ILE 17 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.31 1uxm s ILE 17 Cb 0.01 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.52 1uxm s ILE 17 CO 0.00 0.34 -0.08 -0.63 0.00 0.00 0.00 174.94 174.57 1uxm s ILE 18 N 0.47 0.97 0.12 2.92 -1.09 -0.52 -1.84 121.20 122.22 1uxm s ILE 18 Ca -0.10 -0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.04 1uxm s ILE 18 Cb -0.14 -0.97 -0.04 0.00 -1.58 0.00 0.00 42.46 39.74 1uxm s ILE 18 CO 0.03 0.35 0.27 0.20 -1.23 0.00 0.00 174.94 174.55 1uxm s ASN 19 N 1.40 6.36 -0.00 3.58 -0.87 0.11 -0.34 114.94 125.18 1uxm s ASN 19 Ca -0.01 0.24 0.04 0.00 -1.57 0.00 0.00 52.86 51.56 1uxm s ASN 19 Cb -0.13 -1.94 -0.01 0.00 -0.02 0.00 0.00 41.25 39.14 1uxm s ASN 19 CO -0.04 0.09 -0.13 -0.36 -2.57 0.00 0.00 177.10 174.08 1uxm s PHE 20 N -1.66 1.19 -0.08 2.20 0.40 -0.05 -1.43 117.98 118.55 1uxm s PHE 20 Ca 0.35 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.39 1uxm s PHE 20 Cb -0.12 -0.76 0.03 0.00 0.51 0.00 0.00 43.02 42.69 1uxm s PHE 20 CO 0.28 -0.01 0.18 -2.00 0.70 0.00 0.00 175.22 174.38 1uxm s GLU 21 N -0.47 0.17 -0.05 0.44 2.12 0.12 -1.48 118.70 119.56 1uxm s GLU 21 Ca 0.04 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.72 1uxm s GLU 21 Cb -0.06 -0.04 0.03 0.00 0.26 0.00 0.00 34.13 34.32 1uxm s GLU 21 CO -0.00 -0.10 0.01 -1.14 -0.54 0.00 0.00 175.26 173.48 1uxm s GLN 22 N 0.73 0.36 -0.05 4.30 0.74 -0.25 -0.51 119.66 124.98 1uxm s GLN 22 Ca -0.05 0.13 -0.23 0.00 0.05 0.00 0.00 55.36 55.27 1uxm s GLN 22 Cb -0.07 -0.67 -0.29 0.00 1.10 0.00 0.00 33.01 33.09 1uxm s GLN 22 CO -0.04 -0.22 0.93 0.87 -0.55 0.00 0.00 175.29 176.28 1uxm h LYS 23 N 7.82 0.27 -6.51 1.67 1.57 -1.85 -3.40 116.57 116.14 1uxm h LYS 23 Ca -0.29 -0.41 -0.62 0.00 -1.87 0.00 0.00 60.65 57.46 1uxm h LYS 23 Cb 1.13 0.15 -0.22 0.00 0.08 0.00 0.00 32.23 33.37 1uxm h LYS 23 CO 0.34 1.17 -0.84 -1.21 -0.57 0.00 0.00 179.45 178.33 1uxm s GLU 24 N -2.60 1.27 0.26 3.15 2.02 -1.26 -5.05 118.70 116.50 1uxm s GLU 24 Ca -0.14 -1.28 -0.11 0.00 0.02 0.00 0.00 54.97 53.46 1uxm s GLU 24 Cb 0.01 -1.64 0.38 0.00 0.10 0.00 0.00 34.13 32.98 1uxm s GLU 24 CO 0.81 0.38 1.56 0.66 0.02 0.00 0.00 175.26 178.69 1uxm h SER 25 N 3.91 -1.05 -1.45 -0.19 4.64 -1.91 -0.84 113.55 116.66 1uxm h SER 25 Ca -0.48 0.30 -0.61 0.00 -0.47 0.00 0.00 61.79 60.52 1uxm h SER 25 Cb 1.18 0.64 -0.40 0.00 -0.31 0.00 0.00 62.40 63.51 1uxm h SER 25 CO 0.40 -0.31 -0.43 0.59 -0.87 0.00 0.00 176.83 176.21 1uxm n ASN 26 N -5.58 5.25 -3.18 4.97 3.02 -1.26 -4.69 115.26 113.79 1uxm n ASN 26 Ca 0.14 -3.74 -0.09 0.00 -0.03 0.00 0.00 54.58 50.85 1uxm n ASN 26 Cb 0.46 -0.55 0.02 0.00 -0.61 0.00 0.00 39.78 39.10 1uxm n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uxm n GLY 27 N -0.54 2.37 3.76 7.41 0.00 -0.32 -5.08 105.19 112.79 1uxm n GLY 27 Ca 0.43 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 1uxm n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uxm s PRO 28 N -3.01 3.64 -0.20 1.61 0.04 -1.26 -4.74 135.00 131.09 1uxm s PRO 28 Ca 0.20 1.95 -0.05 0.00 0.04 0.00 0.00 61.00 63.14 1uxm s PRO 28 Cb -0.02 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1uxm s PRO 28 CO 0.12 -0.70 0.00 0.08 0.04 0.00 0.00 177.00 176.55 1uxm s VAL 29 N -1.43 4.00 0.01 -0.36 1.01 0.11 -4.38 120.40 119.36 1uxm s VAL 29 Ca 0.64 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 1uxm s VAL 29 Cb -0.33 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 1uxm s VAL 29 CO 0.40 0.43 0.71 -0.54 0.00 0.00 0.00 175.10 176.10 1uxm s LYS 30 N 0.93 4.44 -0.09 2.72 1.02 0.33 -1.32 119.74 127.77 1uxm s LYS 30 Ca 0.01 0.94 0.01 0.00 0.02 0.00 0.00 55.97 56.96 1uxm s LYS 30 Cb -0.14 -3.37 0.02 0.00 -0.52 0.00 0.00 37.83 33.81 1uxm s LYS 30 CO 0.02 0.26 -0.13 0.54 -0.92 0.00 0.00 175.35 175.13 1uxm s VAL 31 N 0.07 1.27 0.06 3.17 0.11 0.36 -0.70 120.40 124.74 1uxm s VAL 31 Ca 0.36 -0.51 -0.17 0.00 -2.93 0.00 0.00 61.98 58.73 1uxm s VAL 31 Cb -0.19 -1.18 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1uxm s VAL 31 CO 0.20 0.39 0.40 -1.66 -3.33 0.00 0.00 175.10 171.11 1uxm s TRP 32 N 1.02 -0.24 -4.52 1.54 -2.14 -0.51 -0.20 118.94 113.89 1uxm s TRP 32 Ca -0.07 0.13 0.00 0.00 2.66 0.00 0.00 56.10 58.82 1uxm s TRP 32 Cb -0.15 0.22 0.00 0.00 -3.10 0.00 0.00 33.47 30.44 1uxm s TRP 32 CO -0.01 -0.59 0.00 0.41 -2.66 0.00 0.00 176.95 174.10 1uxm n GLY 33 N 0.35 -0.51 3.24 3.67 0.00 -0.72 0.05 105.19 111.27 1uxm n GLY 33 Ca -0.18 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.13 -0.03 1.61 0.01 -0.77 -1.37 113.70 109.02 1uxm s SER 34 Ca 0.00 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1uxm s SER 34 Cb 0.00 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.57 1uxm s SER 34 CO 0.00 -0.55 -0.07 -0.63 0.41 0.00 0.00 173.24 172.40 1uxm s ILE 35 N -2.14 0.67 0.45 1.44 1.01 -0.70 -1.25 121.20 120.68 1uxm s ILE 35 Ca -0.08 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.36 1uxm s ILE 35 Cb -0.02 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.78 1uxm s ILE 35 CO -0.01 0.23 0.10 -0.54 0.00 0.00 0.00 174.94 174.72 1uxm s LYS 36 N 0.39 2.13 0.00 2.79 1.02 0.18 -1.21 119.74 125.04 1uxm s LYS 36 Ca -0.06 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.86 1uxm s LYS 36 Cb -0.10 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.44 1uxm s LYS 36 CO 0.00 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 1uxm n GLY 37 N -1.20 0.87 3.87 -3.33 0.00 -1.16 -2.50 105.19 101.74 1uxm n GLY 37 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 3.43 0.25 0.99 2.01 -0.99 -4.44 118.68 119.94 1uxm s LEU 38 Ca 0.00 1.38 -0.26 0.00 0.01 0.00 0.00 54.13 55.27 1uxm s LEU 38 Cb 0.00 -4.38 -0.09 0.00 0.01 0.00 0.00 46.19 41.73 1uxm s LEU 38 CO 0.00 -0.72 0.87 0.42 1.01 0.00 0.00 176.35 177.93 1uxm s THR 39 N -2.91 4.28 0.27 5.49 -4.23 -1.26 -4.27 115.64 113.00 1uxm s THR 39 Ca 0.55 1.76 -0.31 0.00 -1.18 0.00 0.00 61.69 62.52 1uxm s THR 39 Cb -0.11 -4.08 -0.13 0.00 1.34 0.00 0.00 72.50 69.53 1uxm s THR 39 CO 0.45 0.32 1.49 1.21 -0.54 0.00 0.00 174.62 177.54 1uxm n GLU 40 N 1.02 2.34 0.00 3.99 2.13 -1.26 -4.59 120.64 124.26 1uxm n GLU 40 Ca -0.01 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.64 1uxm n GLU 40 Cb 0.49 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.66 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 2.11 0.54 3.82 8.31 0.00 -0.13 -4.92 105.19 114.91 1uxm n GLY 41 Ca 0.10 -2.19 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 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 4.41 -0.02 0.99 1.02 -1.26 -0.34 118.68 123.48 1uxm s LEU 42 Ca 0.00 1.34 0.00 0.00 0.02 0.00 0.00 54.13 55.50 1uxm s LEU 42 Cb 0.00 -3.35 0.02 0.00 0.02 0.00 0.00 46.19 42.88 1uxm s LEU 42 CO 0.00 0.12 0.01 -1.00 0.02 0.00 0.00 176.35 175.49 1uxm s HIS 43 N -1.39 0.14 0.44 0.29 3.76 -0.65 -2.53 115.29 115.35 1uxm s HIS 43 Ca 0.38 0.04 -0.23 0.00 -0.15 0.00 0.00 55.06 55.10 1uxm s HIS 43 Cb -0.18 -0.24 -0.10 0.00 1.11 0.00 0.00 32.58 33.17 1uxm s HIS 43 CO 0.21 -0.07 0.93 0.41 -0.85 0.00 0.00 174.74 175.37 1uxm n GLY 44 N 3.81 -0.42 2.76 -2.22 0.00 -0.13 -1.76 105.19 107.24 1uxm n GLY 44 Ca -0.23 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.33 -0.37 0.03 1.61 5.36 -0.05 -0.78 117.98 122.46 1uxm s PHE 45 Ca 0.64 0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 1uxm s PHE 45 Cb -0.55 -0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 41.72 1uxm s PHE 45 CO 0.56 -0.73 0.01 -1.01 -1.46 0.00 0.00 175.22 172.58 1uxm s HIS 46 N 2.35 0.31 -0.22 10.12 3.76 -0.90 -2.29 115.29 128.42 1uxm s HIS 46 Ca 0.08 -0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 54.13 1uxm s HIS 46 Cb -0.15 -0.23 -0.02 0.00 1.11 0.00 0.00 32.58 33.29 1uxm s HIS 46 CO -0.21 -0.29 0.61 0.08 -0.85 0.00 0.00 174.74 174.08 1uxm s VAL 47 N -2.42 5.02 0.37 -0.90 1.01 0.13 -0.94 120.40 122.67 1uxm s VAL 47 Ca -0.07 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.06 1uxm s VAL 47 Cb -0.03 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1uxm s VAL 47 CO -0.04 0.09 0.55 -1.00 0.00 0.00 0.00 175.10 174.69 1uxm s HIS 48 N 2.12 3.26 0.13 5.22 3.76 0.27 -0.67 115.29 129.38 1uxm s HIS 48 Ca 0.27 0.07 -0.11 0.00 -0.15 0.00 0.00 55.06 55.13 1uxm s HIS 48 Cb -0.16 -2.05 -0.08 0.00 1.11 0.00 0.00 32.58 31.40 1uxm s HIS 48 CO 0.09 -0.07 1.41 1.49 -0.85 0.00 0.00 174.74 176.81 1uxm h GLU 49 N 0.72 0.87 -5.85 1.40 4.81 -1.02 -2.85 114.58 112.65 1uxm h GLU 49 Ca -0.47 -0.56 -0.67 0.00 -0.13 0.00 0.00 59.36 57.53 1uxm h GLU 49 Cb 1.25 0.07 -0.18 0.00 0.63 0.00 0.00 28.75 30.52 1uxm h GLU 49 CO 0.57 1.19 -0.65 -0.06 -0.73 0.00 0.00 179.01 179.33 1uxm s PHE 50 N -4.11 3.06 -0.23 0.92 0.08 -0.33 -4.62 117.98 112.75 1uxm s PHE 50 Ca -0.11 0.02 -0.05 0.00 0.12 0.00 0.00 56.93 56.92 1uxm s PHE 50 Cb 0.10 -1.81 -0.09 0.00 -0.57 0.00 0.00 43.02 40.64 1uxm s PHE 50 CO 0.89 0.30 3.15 0.41 -0.10 0.00 0.00 175.22 179.87 1uxm n GLY 51 N 2.53 3.67 3.16 4.36 0.00 -0.89 -3.48 105.19 114.56 1uxm n GLY 51 Ca -0.18 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 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 1.16 4.46 -0.25 1.61 -1.08 -1.26 -4.96 116.67 116.34 1uxm s ASP 52 Ca 0.61 -1.08 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 1uxm s ASP 52 Cb 0.34 -1.65 0.44 0.00 -1.46 0.00 0.00 42.92 40.60 1uxm s ASP 52 CO -0.11 -0.17 1.21 0.59 0.52 0.00 0.00 175.17 177.21 1uxm n ASN 53 N 4.61 3.21 0.17 -0.34 3.02 -1.26 -2.84 115.26 121.83 1uxm n ASN 53 Ca -0.15 -3.84 0.04 0.00 -0.03 0.00 0.00 54.58 50.60 1uxm n ASN 53 Cb 0.45 -0.45 0.46 0.00 -0.61 0.00 0.00 39.78 39.63 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1uxm h THR 54 N 1.53 1.14 -1.13 3.41 1.35 -1.93 -2.65 112.91 114.64 1uxm h THR 54 Ca 0.17 -0.64 -0.56 0.00 -0.55 0.00 0.00 66.41 64.83 1uxm h THR 54 Cb 1.25 1.23 -0.42 0.00 -1.73 0.00 0.00 68.15 68.48 1uxm h THR 54 CO 0.36 0.19 -0.79 0.00 -0.25 0.00 0.00 175.52 175.03 1uxm n ALA 55 N -2.50 4.97 -0.36 6.62 0.00 -1.26 -5.06 120.51 122.91 1uxm n ALA 55 Ca -0.02 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.40 1uxm n ALA 55 Cb 0.24 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.58 -0.58 0.28 0.00 0.00 -1.00 -3.81 105.19 99.49 1uxm n GLY 56 Ca 0.40 -1.13 0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 1.13 0.00 0.00 2.02 -1.91 -1.50 112.91 112.65 1uxm h THR 58 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1uxm h THR 58 Cb 0.22 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1uxm h THR 58 CO 0.01 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 1uxm n SER 59 N -4.45 0.00 0.00 4.18 3.41 -1.12 -2.66 113.62 112.98 1uxm n SER 59 Ca 0.07 -0.52 0.09 0.00 -0.26 0.00 0.00 58.87 58.25 1uxm n SER 59 Cb 0.09 -0.10 0.39 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.10 1.83 -0.31 7.33 0.00 -0.56 -4.47 120.51 123.23 1uxm n ALA 60 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1uxm n ALA 60 Cb 0.12 -1.30 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 0.37 -0.65 2.45 0.00 0.00 -1.09 -1.19 105.19 105.09 1uxm n GLY 61 Ca 0.04 -1.14 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -0.15 -1.95 1.61 -0.04 -1.26 -4.68 135.00 128.53 1uxm n PRO 62 Ca 0.00 -1.59 -0.39 0.00 -0.04 0.00 0.00 63.50 61.48 1uxm n PRO 62 Cb 0.00 -0.56 0.01 0.00 -0.04 0.00 0.00 33.50 32.91 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 -2.17 2.65 -0.14 0.54 3.76 -1.26 -1.12 115.29 117.55 1uxm s HIS 63 Ca 0.44 1.36 -0.29 0.00 -0.15 0.00 0.00 55.06 56.42 1uxm s HIS 63 Cb -0.02 -3.76 -0.06 0.00 1.11 0.00 0.00 32.58 29.85 1uxm s HIS 63 CO 0.30 -2.44 2.01 0.12 -0.85 0.00 0.00 174.74 173.88 1uxm s PHE 64 N -1.25 1.40 -0.41 1.40 5.36 0.15 -4.46 117.98 120.17 1uxm s PHE 64 Ca 0.60 0.22 0.08 0.00 -0.96 0.00 0.00 56.93 56.87 1uxm s PHE 64 Cb -0.40 -4.05 0.27 0.00 -0.34 0.00 0.00 43.02 38.50 1uxm s PHE 64 CO 0.51 -4.32 0.65 -1.71 -1.46 0.00 0.00 175.22 168.90 1uxm n ASN 65 N 9.70 -0.35 0.00 6.13 5.15 -1.26 -1.26 115.26 133.37 1uxm n ASN 65 Ca 0.24 -2.91 0.07 0.00 -0.60 0.00 0.00 54.58 51.38 1uxm n ASN 65 Cb 0.44 -0.09 0.37 0.00 -0.53 0.00 0.00 39.78 39.97 1uxm n ASN 65 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1uxm n PRO 66 N 1.17 0.34 -0.10 1.20 -0.04 -1.26 -1.49 135.00 134.82 1uxm n PRO 66 Ca 0.19 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.74 1uxm n PRO 66 Cb 0.58 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.63 1uxm n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1uxm n LEU 67 N -1.10 2.47 -3.63 1.53 4.77 -1.26 -5.01 117.00 114.77 1uxm n LEU 67 Ca 0.09 -1.90 -0.25 0.00 -0.03 0.00 0.00 56.01 53.92 1uxm n LEU 67 Cb 0.07 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1uxm n LEU 67 CO 0.08 0.61 -0.06 -1.20 -1.33 0.00 0.00 177.39 175.49 1uxm n SER 68 N 0.15 -4.04 -4.35 -1.43 7.64 -0.56 -4.98 113.62 106.04 1uxm n SER 68 Ca 0.07 -0.91 -0.23 0.00 1.01 0.00 0.00 58.87 58.81 1uxm n SER 68 Cb 0.34 -3.88 -0.01 0.00 -1.01 0.00 0.00 64.21 59.64 1uxm n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1uxm n ARG 69 N -4.05 0.85 -3.12 1.43 1.74 -1.26 -5.14 116.66 107.10 1uxm n ARG 69 Ca -0.16 -2.95 -0.23 0.00 -0.77 0.00 0.00 57.85 53.73 1uxm n ARG 69 Cb 0.63 0.45 0.00 0.00 -1.02 0.00 0.00 32.46 32.52 1uxm n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1uxm s LYS 70 N -3.81 3.21 0.33 5.56 -2.85 -1.26 -4.83 119.74 116.09 1uxm s LYS 70 Ca 0.19 -0.45 -0.27 0.00 -1.00 0.00 0.00 55.97 54.44 1uxm s LYS 70 Cb -0.02 -2.60 -0.09 0.00 -2.06 0.00 0.00 37.83 33.06 1uxm s LYS 70 CO 0.12 -0.12 1.06 -1.58 0.10 0.00 0.00 175.35 174.93 1uxm s HIS 71 N -2.47 3.49 0.00 1.78 5.65 -1.04 -3.26 115.29 119.44 1uxm s HIS 71 Ca 0.46 1.70 0.00 0.00 0.25 0.00 0.00 55.06 57.46 1uxm s HIS 71 Cb -0.10 -3.18 0.00 0.00 -1.18 0.00 0.00 32.58 28.12 1uxm s HIS 71 CO 0.37 -0.47 0.00 0.41 -0.65 0.00 0.00 174.74 174.40 1uxm n GLY 72 N 0.84 2.44 3.98 1.59 0.00 -1.25 -4.51 105.19 108.28 1uxm n GLY 72 Ca 0.01 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.65 1.76 0.45 -0.02 0.00 -1.26 -4.76 107.32 102.84 1uxm s GLY 73 Ca 0.00 -1.34 0.17 0.00 0.00 0.00 0.00 44.72 43.54 1uxm s GLY 73 CO 0.00 -1.13 1.97 -2.55 0.00 0.00 0.00 173.10 171.38 1uxm h PRO 74 N 0.37 0.31 0.00 2.90 0.10 -1.84 -0.60 132.00 133.24 1uxm h PRO 74 Ca -0.43 -0.02 -0.10 0.00 0.10 0.00 0.00 66.00 65.55 1uxm h PRO 74 Cb 1.28 -0.07 -0.01 0.00 0.10 0.00 0.00 31.00 32.29 1uxm h PRO 74 CO 0.52 0.21 -0.51 0.87 0.10 0.00 0.00 178.00 179.18 1uxm h LYS 75 N 0.32 0.00 -7.24 1.05 1.79 -1.94 -3.47 116.57 107.08 1uxm h LYS 75 Ca 0.29 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.24 1uxm h LYS 75 Cb 0.71 0.00 0.20 0.00 -1.58 0.00 0.00 32.23 31.56 1uxm h LYS 75 CO -0.07 0.48 0.20 -0.25 -1.08 0.00 0.00 179.45 178.73 1uxm n ASP 76 N -3.21 0.33 0.02 0.86 8.00 -0.24 -4.96 116.55 117.35 1uxm n ASP 76 Ca 0.02 0.43 -0.22 0.00 0.71 0.00 0.00 54.79 55.73 1uxm n ASP 76 Cb 0.73 -1.47 -0.14 0.00 -0.02 0.00 0.00 41.12 40.22 1uxm n ASP 76 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1uxm h GLU 77 N -1.79 0.28 -6.45 -1.24 4.81 -1.90 -3.42 114.58 104.86 1uxm h GLU 77 Ca -0.43 -0.47 -0.57 0.00 -0.13 0.00 0.00 59.36 57.75 1uxm h GLU 77 Cb 1.27 0.18 -0.09 0.00 0.63 0.00 0.00 28.75 30.74 1uxm h GLU 77 CO 0.41 1.23 0.81 -2.00 -0.73 0.00 0.00 179.01 178.73 1uxm s GLU 78 N -2.52 3.58 0.01 1.92 2.56 -1.26 -4.97 118.70 118.01 1uxm s GLU 78 Ca -0.20 0.29 -0.28 0.00 0.00 0.00 0.00 54.97 54.78 1uxm s GLU 78 Cb 0.05 -3.96 0.09 0.00 2.00 0.00 0.00 34.13 32.32 1uxm s GLU 78 CO 0.78 -1.43 0.81 -0.98 -0.56 0.00 0.00 175.26 173.88 1uxm s ARG 79 N 4.35 0.93 0.53 4.30 1.04 -1.22 -3.79 118.95 125.09 1uxm s ARG 79 Ca 0.42 -0.21 -0.17 0.00 -1.04 0.00 0.00 55.73 54.73 1uxm s ARG 79 Cb -0.08 0.43 -0.07 0.00 -2.04 0.00 0.00 34.95 33.19 1uxm s ARG 79 CO 0.28 -0.38 1.01 -1.01 -0.04 0.00 0.00 175.30 175.16 1uxm s HIS 80 N -2.75 3.23 0.49 5.89 3.76 -1.20 -4.79 115.29 119.91 1uxm s HIS 80 Ca 0.01 1.51 0.17 0.00 -0.15 0.00 0.00 55.06 56.60 1uxm s HIS 80 Cb -0.01 -2.90 1.20 0.00 1.11 0.00 0.00 32.58 31.97 1uxm s HIS 80 CO -0.06 -0.66 2.04 0.28 -0.85 0.00 0.00 174.74 175.48 1uxm h VAL 81 N 0.90 0.89 -0.02 -0.90 2.07 -1.85 -2.43 116.25 114.91 1uxm h VAL 81 Ca -0.47 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 66.98 1uxm h VAL 81 Cb 1.20 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1uxm h VAL 81 CO 0.60 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1uxm n GLY 82 N -1.56 -0.58 3.54 2.17 0.00 -0.39 -4.35 105.19 104.02 1uxm n GLY 82 Ca 0.06 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.93 6.43 -0.04 1.61 1.11 -0.92 0.20 116.67 123.13 1uxm s ASP 83 Ca 0.42 -1.28 0.18 0.00 0.18 0.00 0.00 52.55 52.04 1uxm s ASP 83 Cb 0.20 -2.54 0.57 0.00 1.07 0.00 0.00 42.92 42.23 1uxm s ASP 83 CO 0.34 -1.53 1.47 0.18 1.18 0.00 0.00 175.17 176.81 1uxm n LEU 84 N 8.68 3.62 0.00 1.23 4.77 -0.97 -3.27 117.00 131.05 1uxm n LEU 84 Ca 0.24 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.40 1uxm n LEU 84 Cb 0.50 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1uxm n LEU 84 CO 0.65 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 1uxm n GLY 85 N 1.31 0.35 3.53 -0.72 0.00 -1.20 -4.75 105.19 103.71 1uxm n GLY 85 Ca 0.21 -0.92 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 4.03 0.20 1.61 0.01 -1.26 -0.87 114.94 114.65 1uxm s ASN 86 Ca 0.00 -0.67 0.10 0.00 -0.71 0.00 0.00 52.86 51.58 1uxm s ASN 86 Cb 0.00 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 1uxm s ASN 86 CO 0.00 0.10 -0.15 0.68 -1.51 0.00 0.00 177.10 176.22 1uxm s VAL 87 N -1.76 2.87 -0.19 1.60 -7.23 -0.72 -4.93 120.40 110.04 1uxm s VAL 87 Ca 0.24 -1.85 -0.02 0.00 -1.81 0.00 0.00 61.98 58.54 1uxm s VAL 87 Cb -0.08 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 1uxm s VAL 87 CO 0.14 -0.15 -0.09 -0.89 -0.31 0.00 0.00 175.10 173.80 1uxm s THR 88 N -1.79 3.07 -0.04 5.32 2.01 -1.26 -1.64 115.64 121.31 1uxm s THR 88 Ca 0.24 -0.61 -0.13 0.00 0.31 0.00 0.00 61.69 61.50 1uxm s THR 88 Cb -0.08 -2.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 1uxm s THR 88 CO 0.14 0.47 0.36 0.00 -0.69 0.00 0.00 174.62 174.89 1uxm s ALA 89 N 1.19 3.71 0.80 7.40 0.00 0.54 -4.19 121.76 131.22 1uxm s ALA 89 Ca 0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 51.96 51.60 1uxm s ALA 89 Cb -0.14 -2.33 0.14 0.00 0.00 0.00 0.00 23.12 20.79 1uxm s ALA 89 CO -0.03 0.45 1.11 0.16 0.00 0.00 0.00 175.76 177.45 1uxm s ASP 90 N -0.87 4.01 0.61 0.00 1.47 0.81 -0.96 116.67 121.75 1uxm s ASP 90 Ca 0.22 0.01 0.29 0.00 1.18 0.00 0.00 52.55 54.24 1uxm s ASP 90 Cb -0.15 -0.33 1.51 0.00 -0.34 0.00 0.00 42.92 43.60 1uxm s ASP 90 CO 0.11 -2.11 1.90 0.07 0.68 0.00 0.00 175.17 175.82 1uxm h LYS 91 N -0.92 0.00 0.00 2.11 5.09 -1.97 2.54 116.57 123.42 1uxm h LYS 91 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.33 1uxm h LYS 91 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 1uxm h LYS 91 CO 0.43 0.00 -0.25 -0.25 -2.09 0.00 0.00 179.45 177.29 1uxm n ASP 92 N -3.46 0.49 0.00 7.07 8.00 -1.26 -4.89 116.55 122.50 1uxm n ASP 92 Ca 0.05 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.83 1uxm n ASP 92 Cb 0.57 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 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 1.41 0.95 3.49 0.44 0.00 0.85 -4.71 105.19 107.64 1uxm n GLY 93 Ca 0.05 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 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 3.75 -0.28 1.61 1.01 -1.21 -2.35 120.40 120.93 1uxm s VAL 94 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1uxm s VAL 94 Cb 0.00 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.79 1uxm s VAL 94 CO 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 175.10 175.60 1uxm s ALA 95 N 0.17 2.81 -0.57 5.51 0.00 -0.35 -0.13 121.76 129.21 1uxm s ALA 95 Ca -0.03 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.17 1uxm s ALA 95 Cb -0.14 -1.87 0.08 0.00 0.00 0.00 0.00 23.12 21.19 1uxm s ALA 95 CO 0.03 -1.00 0.73 -0.51 0.00 0.00 0.00 175.76 175.02 1uxm s ASP 96 N 1.34 6.21 0.12 0.00 -0.00 -1.26 -1.71 116.67 121.37 1uxm s ASP 96 Ca -0.01 -1.08 -0.23 0.00 -0.00 0.00 0.00 52.55 51.23 1uxm s ASP 96 Cb -0.18 -2.33 -0.07 0.00 -0.00 0.00 0.00 42.92 40.34 1uxm s ASP 96 CO -0.02 -1.09 0.69 -0.69 -0.00 0.00 0.00 175.17 174.06 1uxm s VAL 97 N 2.97 4.53 -0.30 -1.27 1.01 -0.47 -4.89 120.40 121.97 1uxm s VAL 97 Ca 0.16 1.50 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1uxm s VAL 97 Cb -0.20 -4.04 0.19 0.00 0.00 0.00 0.00 36.38 32.33 1uxm s VAL 97 CO 0.10 0.53 0.68 -0.55 0.00 0.00 0.00 175.10 175.86 1uxm s SER 98 N -1.10 -1.33 0.03 3.32 0.15 -1.23 -1.75 113.70 111.80 1uxm s SER 98 Ca 0.33 0.43 0.03 0.00 0.70 0.00 0.00 55.95 57.44 1uxm s SER 98 Cb -0.22 1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 66.03 1uxm s SER 98 CO 0.23 -0.25 -0.10 -0.63 1.20 0.00 0.00 173.24 173.70 1uxm s ILE 99 N 2.86 0.73 -0.07 6.45 1.01 0.72 -4.99 121.20 127.92 1uxm s ILE 99 Ca 0.15 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.94 1uxm s ILE 99 Cb -0.11 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.64 1uxm s ILE 99 CO -0.23 -0.16 -0.25 -0.70 0.00 0.00 0.00 174.94 173.61 1uxm s GLU 100 N -1.18 2.74 -0.01 2.79 2.12 -1.26 -0.49 118.70 123.40 1uxm s GLU 100 Ca -0.04 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.39 1uxm s GLU 100 Cb -0.08 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.10 1uxm s GLU 100 CO 0.01 0.30 0.03 0.34 -0.54 0.00 0.00 175.26 175.40 1uxm s ASP 101 N 0.03 -0.03 0.00 -1.70 2.15 -0.43 -4.94 116.67 111.74 1uxm s ASP 101 Ca -0.09 0.06 0.06 0.00 0.43 0.00 0.00 52.55 53.00 1uxm s ASP 101 Cb -0.15 0.06 0.13 0.00 -0.30 0.00 0.00 42.92 42.65 1uxm s ASP 101 CO 0.06 -0.01 1.01 -1.20 -0.17 0.00 0.00 175.17 174.85 1uxm n SER 102 N 3.07 2.20 -0.10 -0.34 7.64 -1.26 0.09 113.62 124.91 1uxm n SER 102 Ca -0.12 -1.78 -0.16 0.00 1.01 0.00 0.00 58.87 57.81 1uxm n SER 102 Cb 0.60 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.12 1.50 -0.56 0.44 0.31 -1.26 -4.89 118.33 113.99 1uxm n VAL 103 Ca 0.05 -0.03 -0.29 0.00 -0.01 0.00 0.00 64.34 64.06 1uxm n VAL 103 Cb 0.29 -2.17 0.23 0.00 -0.91 0.00 0.00 33.84 31.27 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 -2.58 2.01 0.21 2.52 -4.36 -1.26 -4.83 121.20 112.91 1uxm s ILE 104 Ca -0.29 0.00 -0.17 0.00 -0.26 0.00 0.00 60.65 59.93 1uxm s ILE 104 Cb 0.07 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.79 1uxm s ILE 104 CO 0.43 -0.00 0.54 -0.55 0.24 0.00 0.00 174.94 175.60 1uxm s SER 105 N -2.51 -0.25 -0.14 4.36 0.15 -1.04 -4.75 113.70 109.52 1uxm s SER 105 Ca 0.68 -0.54 0.15 0.00 0.70 0.00 0.00 55.95 56.95 1uxm s SER 105 Cb -0.25 0.60 0.56 0.00 -1.71 0.00 0.00 66.02 65.23 1uxm s SER 105 CO 0.62 -1.10 1.48 0.18 1.20 0.00 0.00 173.24 175.62 1uxm n LEU 106 N -0.36 4.13 -3.85 3.45 4.77 -1.26 -1.50 117.00 122.38 1uxm n LEU 106 Ca -0.08 -2.70 -0.06 0.00 -0.03 0.00 0.00 56.01 53.14 1uxm n LEU 106 Cb 0.62 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1uxm n LEU 106 CO 0.17 0.70 0.69 -0.94 -1.33 0.00 0.00 177.39 176.69 1uxm s SER 107 N -1.40 0.01 0.35 -1.43 1.04 -1.26 -1.89 113.70 109.11 1uxm s SER 107 Ca 0.42 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1uxm s SER 107 Cb 0.31 0.66 0.00 0.00 0.10 0.00 0.00 66.02 67.09 1uxm s SER 107 CO 0.14 -1.31 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1uxm n GLY 108 N -0.63 -1.69 0.27 7.32 0.00 -1.26 -3.09 105.19 106.10 1uxm n GLY 108 Ca -0.05 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.00 0.10 -0.55 1.61 3.32 -2.00 -2.04 116.42 116.86 1uxm h ASP 109 Ca 0.00 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.93 1uxm h ASP 109 Cb 0.00 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 1uxm h ASP 109 CO 0.00 0.10 0.14 1.41 -1.72 0.00 0.00 179.24 179.17 1uxm n HIS 110 N -4.50 1.87 -1.64 4.55 8.25 -1.26 -4.97 115.22 117.52 1uxm n HIS 110 Ca -0.02 -0.85 -0.46 0.00 -0.26 0.00 0.00 57.72 56.14 1uxm n HIS 110 Cb 0.10 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.65 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 1.54 0.07 -1.82 0.00 -5.35 -0.56 -4.90 119.36 108.34 1uxm n ILE 112 Ca 0.12 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.65 1uxm n ILE 112 Cb 0.30 1.20 -0.01 0.00 -1.74 0.00 0.00 39.64 39.39 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 -1.02 2.14 0.00 7.28 -1.09 -1.26 -1.51 121.20 125.74 1uxm s ILE 113 Ca 0.15 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1uxm s ILE 113 Cb 0.10 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1uxm s ILE 113 CO 0.15 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1uxm n GLY 114 N 1.74 0.86 0.16 6.18 0.00 0.48 -4.97 105.19 109.64 1uxm n GLY 114 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.20 1.13 -5.19 1.61 1.74 -0.57 -2.08 116.66 111.10 1uxm n ARG 115 Ca 0.00 -0.14 -0.31 0.00 -0.77 0.00 0.00 57.85 56.63 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 0.56 1.99 -0.10 0.55 2.01 -1.08 -0.84 115.64 118.74 1uxm s THR 116 Ca 0.02 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 60.89 1uxm s THR 116 Cb -0.00 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 1uxm s THR 116 CO 0.01 0.55 0.36 -0.22 -0.69 0.00 0.00 174.62 174.63 1uxm s LEU 117 N 0.24 4.34 -0.02 4.42 2.96 -0.44 0.94 118.68 131.13 1uxm s LEU 117 Ca -0.15 0.72 0.05 0.00 -0.22 0.00 0.00 54.13 54.53 1uxm s LEU 117 Cb -0.17 -2.48 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 1uxm s LEU 117 CO 0.07 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.42 1uxm s VAL 118 N -0.14 1.41 -0.12 1.68 1.01 -0.12 -1.82 120.40 122.30 1uxm s VAL 118 Ca 0.21 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1uxm s VAL 118 Cb -0.15 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1uxm s VAL 118 CO 0.08 0.40 -0.18 0.54 0.00 0.00 0.00 175.10 175.94 1uxm s VAL 119 N -0.28 2.56 0.43 2.92 0.11 -0.45 -2.12 120.40 123.56 1uxm s VAL 119 Ca 0.04 -0.84 0.06 0.00 -2.93 0.00 0.00 61.98 58.31 1uxm s VAL 119 Cb -0.08 -2.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.75 1uxm s VAL 119 CO 0.00 0.54 0.60 -1.00 -3.33 0.00 0.00 175.10 171.91 1uxm s HIS 120 N 0.36 2.91 0.15 1.54 3.76 0.04 -1.78 115.29 122.27 1uxm s HIS 120 Ca -0.15 -0.24 -0.13 0.00 -0.15 0.00 0.00 55.06 54.39 1uxm s HIS 120 Cb -0.17 -2.38 0.03 0.00 1.11 0.00 0.00 32.58 31.17 1uxm s HIS 120 CO 0.07 -0.43 1.65 1.49 -0.85 0.00 0.00 174.74 176.67 1uxm h GLU 121 N 0.55 0.80 0.00 1.40 4.81 -0.27 -3.39 114.58 118.48 1uxm h GLU 121 Ca -0.42 -0.19 -0.60 0.00 -0.13 0.00 0.00 59.36 58.02 1uxm h GLU 121 Cb 1.28 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.43 1uxm h GLU 121 CO 0.49 0.77 -0.47 1.63 -0.73 0.00 0.00 179.01 180.70 1uxm n LYS 122 N -4.46 0.65 -2.02 1.92 5.02 0.01 -4.92 118.16 114.37 1uxm n LYS 122 Ca 0.01 -3.57 -0.41 0.00 -2.02 0.00 0.00 58.31 52.33 1uxm n LYS 122 Cb 0.23 1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 36.75 1uxm n LYS 122 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1uxm s ALA 123 N -3.02 3.53 -0.19 7.82 0.00 -1.05 -0.95 121.76 127.89 1uxm s ALA 123 Ca 0.13 1.36 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 1uxm s ALA 123 Cb 0.01 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1uxm s ALA 123 CO 0.09 -0.77 1.26 0.34 0.00 0.00 0.00 175.76 176.68 1uxm s ASP 124 N -0.35 6.90 0.00 0.00 -1.08 -1.26 -3.97 116.67 116.92 1uxm s ASP 124 Ca 0.50 1.59 0.22 0.00 -0.52 0.00 0.00 52.55 54.34 1uxm s ASP 124 Cb -0.42 -2.54 1.33 0.00 -1.46 0.00 0.00 42.92 39.83 1uxm s ASP 124 CO 0.55 -0.82 1.82 -0.90 0.52 0.00 0.00 175.17 176.35 1uxm n ASP 125 N 6.80 0.00 -1.76 -0.34 5.68 0.13 -4.87 116.55 122.18 1uxm n ASP 125 Ca 0.14 -1.21 -0.19 0.00 -0.50 0.00 0.00 54.79 53.03 1uxm n ASP 125 Cb 0.45 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.39 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 -0.86 -1.59 -0.52 -2.12 4.77 -1.26 -2.09 117.00 113.32 1uxm n LEU 126 Ca 0.17 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 1uxm n LEU 126 Cb 0.08 -2.64 -0.01 0.00 -2.33 0.00 0.00 43.42 38.52 1uxm n LEU 126 CO 0.12 -0.60 -0.06 0.61 -1.33 0.00 0.00 177.39 176.14 1uxm n GLY 127 N -0.85 0.38 0.59 -0.72 0.00 -1.22 -4.09 105.19 99.27 1uxm n GLY 127 Ca -0.20 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.99 2.31 0.00 1.61 5.02 -0.89 -4.76 118.16 119.46 1uxm n LYS 128 Ca -0.06 -2.75 0.13 0.00 -2.02 0.00 0.00 58.31 53.62 1uxm n LYS 128 Cb 0.41 -1.72 0.48 0.00 -0.02 0.00 0.00 35.03 34.18 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 -0.86 -0.96 1.58 0.72 0.00 -1.26 -4.94 105.19 99.47 1uxm n GLY 129 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 1.36 0.52 3.34 -0.02 0.00 -1.26 -4.98 105.19 104.15 1uxm n GLY 130 Ca 0.11 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.70 0.02 0.42 1.61 2.20 -1.26 -5.04 114.94 110.18 1uxm s ASN 131 Ca 0.00 -0.79 0.10 0.00 -0.94 0.00 0.00 52.86 51.22 1uxm s ASN 131 Cb 0.00 0.44 0.92 0.00 -2.00 0.00 0.00 41.25 40.60 1uxm s ASN 131 CO 0.00 -0.89 2.02 -0.08 -2.94 0.00 0.00 177.10 175.21 1uxm h GLU 132 N 2.53 0.50 -0.57 3.55 4.57 -1.99 -0.18 114.58 122.99 1uxm h GLU 132 Ca -0.32 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 57.77 1uxm h GLU 132 Cb 1.23 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 1uxm h GLU 132 CO 0.48 0.33 0.12 1.49 -1.18 0.00 0.00 179.01 180.25 1uxm h GLU 133 N 0.52 0.90 -0.11 1.92 4.57 -1.99 -1.65 114.58 118.73 1uxm h GLU 133 Ca 0.22 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1uxm h GLU 133 Cb 0.21 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1uxm h GLU 133 CO -0.06 0.82 0.02 1.03 -1.18 0.00 0.00 179.01 179.64 1uxm h SER 134 N 0.86 0.13 0.28 1.04 0.87 -1.37 0.67 113.55 116.03 1uxm h SER 134 Ca 0.18 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1uxm h SER 134 Cb 0.34 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1uxm h SER 134 CO 0.00 0.14 -0.06 0.35 -0.53 0.00 0.00 176.83 176.73 1uxm n THR 135 N -4.47 0.00 -0.01 2.23 -2.24 -0.64 -1.98 114.28 107.17 1uxm n THR 135 Ca -0.01 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.66 1uxm n THR 135 Cb 0.12 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.15 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 -0.91 0.15 0.00 -0.78 5.02 -0.38 -2.51 118.16 118.76 1uxm n LYS 136 Ca 0.17 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.54 1uxm n LYS 136 Cb 0.24 -0.76 -0.00 0.00 -0.02 0.00 0.00 35.03 34.49 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 -3.56 0.00 -1.31 -0.18 -2.24 0.09 -4.72 114.28 102.35 1uxm n THR 137 Ca -0.09 -0.46 -0.11 0.00 -2.27 0.00 0.00 64.05 61.12 1uxm n THR 137 Cb 0.37 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.67 1.20 2.41 3.38 0.00 -0.84 -2.68 105.19 109.33 1uxm n GLY 138 Ca 0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 0.27 -5.58 0.00 1.61 3.02 -1.24 0.17 115.26 113.51 1uxm n ASN 139 Ca -0.11 0.05 0.08 0.00 -0.03 0.00 0.00 54.58 54.57 1uxm n ASN 139 Cb 0.35 -4.67 0.39 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.84 1.85 -0.25 5.41 0.00 -1.09 -4.76 120.51 119.82 1uxm n ALA 140 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1uxm n ALA 140 Cb 0.67 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.17 -0.29 3.64 0.00 0.00 -1.26 -0.81 105.19 106.64 1uxm n GLY 141 Ca 0.06 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.22 1.14 -4.44 1.61 7.64 -1.26 -4.56 113.62 113.53 1uxm n SER 142 Ca 0.00 0.86 -0.44 0.00 1.01 0.00 0.00 58.87 60.31 1uxm n SER 142 Cb 0.00 -1.41 -0.05 0.00 -1.01 0.00 0.00 64.21 61.74 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 -2.69 3.12 0.05 1.43 0.52 -1.26 -0.04 118.95 120.08 1uxm s ARG 143 Ca 0.74 -0.90 -0.18 0.00 -0.52 0.00 0.00 55.73 54.87 1uxm s ARG 143 Cb -0.43 -4.19 -0.16 0.00 0.52 0.00 0.00 34.95 30.69 1uxm s ARG 143 CO 0.49 -1.58 1.28 -0.07 0.02 0.00 0.00 175.30 175.44 1uxm h LEU 144 N 10.59 0.57 -7.32 2.53 3.38 -1.64 -3.46 115.31 119.96 1uxm h LEU 144 Ca -0.28 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.02 1uxm h LEU 144 Cb 1.08 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.49 1uxm h LEU 144 CO 1.10 1.06 -0.07 0.00 0.09 0.00 0.00 178.44 180.62 1uxm s ALA 145 N -3.90 -1.11 0.23 1.53 0.00 -1.12 -3.77 121.76 113.62 1uxm s ALA 145 Ca -0.13 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 1uxm s ALA 145 Cb 0.06 0.27 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1uxm s ALA 145 CO 0.81 -0.43 0.52 0.00 0.00 0.00 0.00 175.76 176.66 1uxm s GLY 147 N -2.96 -0.58 0.18 0.00 0.00 -0.76 -1.99 107.32 101.21 1uxm s GLY 147 Ca 0.17 0.61 -0.23 0.00 0.00 0.00 0.00 44.72 45.27 1uxm s GLY 147 CO 0.05 0.28 0.74 0.14 0.00 0.00 0.00 173.10 174.31 1uxm s VAL 148 N -3.23 4.47 -0.32 1.40 1.01 -1.26 -1.32 120.40 121.15 1uxm s VAL 148 Ca -0.01 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.27 1uxm s VAL 148 Cb -0.01 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1uxm s VAL 148 CO -0.08 0.42 0.70 -0.63 0.00 0.00 0.00 175.10 175.51 1uxm s ILE 149 N -1.27 4.86 0.30 2.22 1.01 -0.02 -4.42 121.20 123.88 1uxm s ILE 149 Ca 0.37 0.92 0.10 0.00 0.00 0.00 0.00 60.65 62.04 1uxm s ILE 149 Cb -0.21 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 1uxm s ILE 149 CO 0.24 -0.24 -0.13 -0.83 0.00 0.00 0.00 174.94 173.98 1uxm s GLY 150 N 1.68 1.95 0.07 6.18 0.00 -0.31 -0.39 107.32 116.49 1uxm s GLY 150 Ca 0.28 -1.94 -0.31 0.00 0.00 0.00 0.00 44.72 42.75 1uxm s GLY 150 CO 0.13 -1.95 1.29 -0.42 0.00 0.00 0.00 173.10 172.15 1uxm s ILE 151 N -2.69 3.76 0.29 0.90 1.01 -1.26 -0.88 121.20 122.33 1uxm s ILE 151 Ca 0.30 1.24 0.07 0.00 0.00 0.00 0.00 60.65 62.26 1uxm s ILE 151 Cb -0.00 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1uxm s ILE 151 CO 0.14 0.08 0.26 0.00 0.00 0.00 0.00 174.94 175.42 1uxm s ALA 152 N 1.31 3.74 -2.00 9.38 0.00 0.01 -4.78 121.76 129.41 1uxm s ALA 152 Ca 0.61 -1.51 0.18 0.00 0.00 0.00 0.00 51.96 51.24 1uxm s ALA 152 Cb -0.32 -1.28 1.09 0.00 0.00 0.00 0.00 23.12 22.61 1uxm s ALA 152 CO 0.29 0.13 1.49 0.94 0.00 0.00 0.00 175.76 178.61