#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxm h THR 2 N 0.00 1.24 -3.40 0.00 2.02 -1.92 -3.44 112.91 107.42 1uxm h THR 2 Ca 0.00 -0.96 -0.51 0.00 0.77 0.00 0.00 66.41 65.71 1uxm h THR 2 Cb 0.00 0.76 -0.34 0.00 -1.74 0.00 0.00 68.15 66.83 1uxm h THR 2 CO 0.00 0.35 -0.81 -0.75 0.37 0.00 0.00 175.52 174.68 1uxm s LYS 3 N -5.10 1.67 0.15 6.66 2.20 -1.26 -0.29 119.74 123.76 1uxm s LYS 3 Ca -0.10 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1uxm s LYS 3 Cb 0.15 -1.41 -0.04 0.00 -1.51 0.00 0.00 37.83 35.02 1uxm s LYS 3 CO 0.82 0.00 -0.03 0.14 -0.36 0.00 0.00 175.35 175.92 1uxm s VAL 4 N 0.75 0.74 0.02 4.02 -7.23 0.15 -0.97 120.40 117.89 1uxm s VAL 4 Ca -0.13 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.01 1uxm s VAL 4 Cb -0.16 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1uxm s VAL 4 CO 0.03 -0.63 0.09 0.54 -0.31 0.00 0.00 175.10 174.81 1uxm s VAL 5 N -3.61 0.11 -0.03 1.32 0.11 0.14 -0.39 120.40 118.06 1uxm s VAL 5 Ca 0.19 -0.93 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 1uxm s VAL 5 Cb 0.05 -0.62 0.03 0.00 -1.53 0.00 0.00 36.38 34.31 1uxm s VAL 5 CO 0.01 -0.51 0.01 0.00 -3.33 0.00 0.00 175.10 171.28 1uxm s VAL 7 N 1.18 4.90 -0.19 0.00 1.01 -1.26 -1.01 120.40 125.03 1uxm s VAL 7 Ca -0.08 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 1uxm s VAL 7 Cb -0.13 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1uxm s VAL 7 CO -0.02 -0.06 0.62 -0.76 0.00 0.00 0.00 175.10 174.88 1uxm s LEU 8 N 1.65 4.16 0.08 3.92 1.43 0.86 -3.90 118.68 126.88 1uxm s LEU 8 Ca 0.05 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1uxm s LEU 8 Cb -0.18 -2.89 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 1uxm s LEU 8 CO 0.08 -0.25 0.04 -0.54 0.23 0.00 0.00 176.35 175.91 1uxm s LYS 9 N 1.81 0.76 0.00 1.70 1.02 -0.51 -1.67 119.74 122.84 1uxm s LYS 9 Ca 0.29 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1uxm s LYS 9 Cb -0.16 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1uxm s LYS 9 CO 0.11 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1uxm n GLY 10 N 0.01 2.41 0.05 -3.33 0.00 -1.25 -1.01 105.19 102.07 1uxm n GLY 10 Ca -0.11 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.07 0.66 0.00 1.61 8.00 -1.26 -4.90 116.55 120.59 1uxm n ASP 11 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1uxm n ASP 11 Cb 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 2.77 0.18 0.44 0.00 -1.26 -5.01 105.19 103.65 1uxm n GLY 12 Ca 0.02 -1.97 0.15 0.00 0.00 0.00 0.00 46.02 44.22 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 1.06 -2.28 1.61 -0.04 -1.26 -4.88 135.00 129.21 1uxm n PRO 13 Ca 0.00 -0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 62.67 1uxm n PRO 13 Cb 0.00 -1.49 -0.02 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 -2.19 4.00 -0.03 0.52 1.01 -1.26 -4.37 120.40 118.08 1uxm s VAL 14 Ca 0.38 1.25 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1uxm s VAL 14 Cb 0.21 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1uxm s VAL 14 CO 0.40 -0.08 0.33 0.00 0.00 0.00 0.00 175.10 175.75 1uxm s GLN 15 N 3.37 0.67 0.10 2.72 -2.07 -0.83 -3.92 119.66 119.69 1uxm s GLN 15 Ca 0.61 -0.11 -0.25 0.00 -1.82 0.00 0.00 55.36 53.79 1uxm s GLN 15 Cb -0.27 0.30 0.09 0.00 -1.09 0.00 0.00 33.01 32.04 1uxm s GLN 15 CO 0.21 -0.18 1.14 0.20 -1.32 0.00 0.00 175.29 175.34 1uxm s GLY 16 N -1.20 -0.01 -0.07 2.60 0.00 -0.67 -0.45 107.32 107.53 1uxm s GLY 16 Ca -0.12 -0.13 0.02 0.00 0.00 0.00 0.00 44.72 44.48 1uxm s GLY 16 CO 0.04 3.31 -0.10 -0.42 0.00 0.00 0.00 173.10 175.93 1uxm s ILE 17 N -2.17 1.02 -0.11 0.90 1.01 -0.87 -0.09 121.20 120.89 1uxm s ILE 17 Ca 0.24 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1uxm s ILE 17 Cb -0.01 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.50 1uxm s ILE 17 CO 0.03 0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.50 1uxm s ILE 18 N 0.89 1.63 0.01 2.92 -1.09 -0.18 -2.07 121.20 123.30 1uxm s ILE 18 Ca -0.11 -0.73 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1uxm s ILE 18 Cb -0.15 -1.46 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1uxm s ILE 18 CO 0.01 0.47 0.26 0.20 -1.23 0.00 0.00 174.94 174.65 1uxm s ASN 19 N 0.83 6.48 -0.04 3.58 -0.87 0.36 0.18 114.94 125.46 1uxm s ASN 19 Ca -0.09 0.53 0.03 0.00 -1.57 0.00 0.00 52.86 51.76 1uxm s ASN 19 Cb -0.16 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.00 1uxm s ASN 19 CO 0.01 0.25 -0.11 -0.36 -2.57 0.00 0.00 177.10 174.31 1uxm s PHE 20 N -1.31 1.21 -0.02 2.20 0.40 0.48 -1.25 117.98 119.68 1uxm s PHE 20 Ca 0.28 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1uxm s PHE 20 Cb -0.13 -0.85 0.01 0.00 0.51 0.00 0.00 43.02 42.56 1uxm s PHE 20 CO 0.17 -0.14 -0.02 -2.00 0.70 0.00 0.00 175.22 173.93 1uxm s GLU 21 N 0.24 0.27 -0.12 0.44 2.12 -0.05 0.29 118.70 121.90 1uxm s GLU 21 Ca -0.05 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 1uxm s GLU 21 Cb -0.10 -0.35 0.04 0.00 0.26 0.00 0.00 34.13 33.97 1uxm s GLU 21 CO 0.01 -0.03 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.55 1uxm s GLN 22 N 0.45 0.94 0.07 4.30 0.74 0.60 -0.67 119.66 126.09 1uxm s GLN 22 Ca -0.04 -0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.14 1uxm s GLN 22 Cb -0.07 -1.51 -0.28 0.00 1.10 0.00 0.00 33.01 32.24 1uxm s GLN 22 CO -0.01 -0.39 1.12 0.87 -0.55 0.00 0.00 175.29 176.33 1uxm h LYS 23 N 8.24 0.27 -6.03 1.67 1.57 -1.83 -3.39 116.57 117.07 1uxm h LYS 23 Ca -0.22 -0.46 -0.55 0.00 -1.87 0.00 0.00 60.65 57.55 1uxm h LYS 23 Cb 1.12 0.17 -0.24 0.00 0.08 0.00 0.00 32.23 33.37 1uxm h LYS 23 CO 0.33 1.21 -0.83 -2.00 -0.57 0.00 0.00 179.45 177.59 1uxm s GLU 24 N -2.65 1.21 0.21 3.15 2.56 -1.26 -5.03 118.70 116.88 1uxm s GLU 24 Ca -0.04 -1.03 -0.32 0.00 0.00 0.00 0.00 54.97 53.58 1uxm s GLU 24 Cb 0.07 -1.38 -0.14 0.00 2.00 0.00 0.00 34.13 34.69 1uxm s GLU 24 CO 0.88 0.34 1.45 -1.13 -0.56 0.00 0.00 175.26 176.24 1uxm n SER 25 N 1.48 2.80 -1.20 -1.70 3.41 -1.26 -0.02 113.62 117.13 1uxm n SER 25 Ca -0.18 1.12 -0.10 0.00 -0.26 0.00 0.00 58.87 59.44 1uxm n SER 25 Cb 0.54 -1.42 -0.04 0.00 -0.26 0.00 0.00 64.21 63.03 1uxm n SER 25 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1uxm n ASN 26 N 2.55 -3.06 -4.01 4.04 4.13 -1.26 -4.97 115.26 112.69 1uxm n ASN 26 Ca 0.13 0.26 -0.26 0.00 1.68 0.00 0.00 54.58 56.39 1uxm n ASN 26 Cb 0.30 -2.83 0.17 0.00 -1.54 0.00 0.00 39.78 35.89 1uxm n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uxm n GLY 27 N -0.14 -0.85 3.74 7.41 0.00 0.98 -5.03 105.19 111.30 1uxm n GLY 27 Ca -0.10 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 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 -5.55 2.68 -0.16 1.61 0.04 -1.26 -4.81 135.00 127.55 1uxm s PRO 28 Ca 0.70 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.74 1uxm s PRO 28 Cb -0.02 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1uxm s PRO 28 CO 0.48 -1.48 -0.10 0.08 0.04 0.00 0.00 177.00 176.02 1uxm s VAL 29 N -1.43 3.17 -0.05 -0.36 1.01 0.24 -4.33 120.40 118.64 1uxm s VAL 29 Ca 0.81 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.99 1uxm s VAL 29 Cb -0.36 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1uxm s VAL 29 CO 0.39 0.49 0.58 -0.54 0.00 0.00 0.00 175.10 176.01 1uxm s LYS 30 N 0.78 4.34 -0.14 2.72 1.02 0.16 -1.28 119.74 127.33 1uxm s LYS 30 Ca -0.04 0.67 0.00 0.00 0.02 0.00 0.00 55.97 56.62 1uxm s LYS 30 Cb -0.15 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1uxm s LYS 30 CO 0.01 0.24 -0.13 0.08 -0.92 0.00 0.00 175.35 174.64 1uxm s VAL 31 N 0.26 1.46 0.05 3.17 1.01 0.37 -0.87 120.40 125.85 1uxm s VAL 31 Ca 0.31 -0.58 -0.18 0.00 0.00 0.00 0.00 61.98 61.53 1uxm s VAL 31 Cb -0.17 -1.40 0.04 0.00 0.00 0.00 0.00 36.38 34.84 1uxm s VAL 31 CO 0.15 0.42 0.41 -1.66 0.00 0.00 0.00 175.10 174.42 1uxm s TRP 32 N 1.53 -0.26 -4.93 5.22 -2.14 -0.38 -0.08 118.94 117.90 1uxm s TRP 32 Ca 0.05 0.20 0.00 0.00 2.66 0.00 0.00 56.10 59.01 1uxm s TRP 32 Cb -0.13 0.21 0.00 0.00 -3.10 0.00 0.00 33.47 30.45 1uxm s TRP 32 CO -0.10 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 1uxm n GLY 33 N 0.48 -1.15 3.02 3.67 0.00 -0.64 -0.48 105.19 110.08 1uxm n GLY 33 Ca -0.18 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 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 1.00 -0.04 1.61 0.15 -0.88 -0.51 113.70 111.03 1uxm s SER 34 Ca 0.00 -0.17 0.06 0.00 0.70 0.00 0.00 55.95 56.54 1uxm s SER 34 Cb 0.00 -0.11 -0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1uxm s SER 34 CO 0.00 0.10 -0.23 -0.63 1.20 0.00 0.00 173.24 173.68 1uxm s ILE 35 N -0.23 1.85 0.36 6.45 1.01 -0.28 -2.05 121.20 128.31 1uxm s ILE 35 Ca 0.03 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 59.77 1uxm s ILE 35 Cb -0.03 -1.56 -0.07 0.00 0.01 0.00 0.00 42.46 40.81 1uxm s ILE 35 CO -0.00 0.52 0.01 -1.59 0.00 0.00 0.00 174.94 173.88 1uxm s LYS 36 N -0.24 1.80 0.00 2.79 -2.85 0.41 -0.57 119.74 121.08 1uxm s LYS 36 Ca 0.00 -2.00 0.00 0.00 -1.00 0.00 0.00 55.97 52.97 1uxm s LYS 36 Cb -0.12 -1.33 0.00 0.00 -2.06 0.00 0.00 37.83 34.32 1uxm s LYS 36 CO 0.02 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 175.81 1uxm n GLY 37 N -0.82 0.57 3.89 0.59 0.00 -0.58 -1.97 105.19 106.87 1uxm n GLY 37 Ca -0.04 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 3.96 0.40 0.99 2.01 -0.63 -4.34 118.68 121.07 1uxm s LEU 38 Ca 0.00 0.90 -0.25 0.00 0.01 0.00 0.00 54.13 54.80 1uxm s LEU 38 Cb 0.00 -3.75 -0.08 0.00 0.01 0.00 0.00 46.19 42.37 1uxm s LEU 38 CO 0.00 -0.29 1.12 0.42 1.01 0.00 0.00 176.35 178.62 1uxm s THR 39 N -2.21 3.36 0.25 5.49 -4.23 -1.26 -4.03 115.64 113.00 1uxm s THR 39 Ca 0.47 1.09 -0.31 0.00 -1.18 0.00 0.00 61.69 61.76 1uxm s THR 39 Cb -0.11 -3.59 -0.13 0.00 1.34 0.00 0.00 72.50 70.01 1uxm s THR 39 CO 0.30 0.06 1.38 1.21 -0.54 0.00 0.00 174.62 177.03 1uxm n GLU 40 N -0.03 2.00 0.00 3.99 2.13 -1.26 -4.64 120.64 122.83 1uxm n GLU 40 Ca 0.05 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.58 1uxm n GLU 40 Cb 0.48 -2.35 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 2.04 0.52 3.79 8.31 0.00 -0.34 -4.92 105.19 114.58 1uxm n GLY 41 Ca 0.11 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 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 4.50 -0.04 0.99 1.02 -1.26 -0.32 118.68 123.58 1uxm s LEU 42 Ca 0.00 1.30 0.01 0.00 0.02 0.00 0.00 54.13 55.46 1uxm s LEU 42 Cb 0.00 -2.98 0.02 0.00 0.02 0.00 0.00 46.19 43.26 1uxm s LEU 42 CO 0.00 0.20 -0.04 -1.00 0.02 0.00 0.00 176.35 175.54 1uxm s HIS 43 N -0.80 0.65 0.39 0.29 3.76 -0.39 -2.86 115.29 116.33 1uxm s HIS 43 Ca 0.31 -0.16 -0.27 0.00 -0.15 0.00 0.00 55.06 54.79 1uxm s HIS 43 Cb -0.20 -0.59 -0.11 0.00 1.11 0.00 0.00 32.58 32.79 1uxm s HIS 43 CO 0.20 -0.17 1.35 0.41 -0.85 0.00 0.00 174.74 175.68 1uxm n GLY 44 N 3.99 0.79 2.69 -2.22 0.00 -0.20 -0.70 105.19 109.54 1uxm n GLY 44 Ca -0.25 0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.14 -0.08 0.06 1.61 5.36 -0.42 -0.33 117.98 123.03 1uxm s PHE 45 Ca 0.57 0.01 -0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1uxm s PHE 45 Cb -0.51 -0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1uxm s PHE 45 CO 0.61 -0.55 0.12 -1.01 -1.46 0.00 0.00 175.22 172.93 1uxm s HIS 46 N 2.25 0.22 -0.27 10.12 3.76 -0.22 -3.00 115.29 128.14 1uxm s HIS 46 Ca 0.05 -0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 54.21 1uxm s HIS 46 Cb -0.16 -0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.36 1uxm s HIS 46 CO -0.11 -0.44 0.37 0.08 -0.85 0.00 0.00 174.74 173.79 1uxm s VAL 47 N -3.28 5.18 0.29 -0.90 1.01 -0.25 -0.20 120.40 122.25 1uxm s VAL 47 Ca 0.01 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1uxm s VAL 47 Cb 0.03 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1uxm s VAL 47 CO -0.08 0.16 0.47 -1.00 0.00 0.00 0.00 175.10 174.66 1uxm s HIS 48 N 2.03 3.48 0.13 5.22 3.76 0.16 -1.67 115.29 128.41 1uxm s HIS 48 Ca 0.15 0.29 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 1uxm s HIS 48 Cb -0.16 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 1uxm s HIS 48 CO 0.10 0.25 1.75 1.49 -0.85 0.00 0.00 174.74 177.48 1uxm h GLU 49 N 1.19 0.47 -5.96 1.40 4.81 -0.35 -2.56 114.58 113.58 1uxm h GLU 49 Ca -0.50 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.00 1uxm h GLU 49 Cb 1.21 -0.09 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 1uxm h GLU 49 CO 0.63 0.38 -0.62 -0.06 -0.73 0.00 0.00 179.01 178.62 1uxm s PHE 50 N -5.91 3.18 -0.35 0.92 0.08 0.11 -4.64 117.98 111.37 1uxm s PHE 50 Ca -0.13 0.21 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 1uxm s PHE 50 Cb 0.10 -1.80 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1uxm s PHE 50 CO 0.72 0.48 2.64 0.41 -0.10 0.00 0.00 175.22 179.38 1uxm n GLY 51 N 2.14 4.06 3.25 4.36 0.00 -1.02 -3.63 105.19 114.35 1uxm n GLY 51 Ca -0.19 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 43.95 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 0.55 4.77 -0.22 1.61 -1.08 -1.26 -4.95 116.67 116.08 1uxm s ASP 52 Ca 0.50 -0.90 0.13 0.00 -0.52 0.00 0.00 52.55 51.77 1uxm s ASP 52 Cb 0.33 -1.76 0.49 0.00 -1.46 0.00 0.00 42.92 40.51 1uxm s ASP 52 CO -0.13 -0.19 1.41 -3.20 0.52 0.00 0.00 175.17 173.58 1uxm n ASN 53 N 4.74 3.07 0.23 -0.34 5.15 -1.26 -2.67 115.26 124.18 1uxm n ASN 53 Ca -0.15 -3.37 0.06 0.00 -0.60 0.00 0.00 54.58 50.52 1uxm n ASN 53 Cb 0.47 -0.57 0.54 0.00 -0.53 0.00 0.00 39.78 39.68 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1uxm h THR 54 N 1.24 1.06 -1.78 -0.44 1.35 -1.92 -3.01 112.91 109.40 1uxm h THR 54 Ca 0.10 -0.57 -0.54 0.00 -0.55 0.00 0.00 66.41 64.85 1uxm h THR 54 Cb 1.49 1.31 -0.41 0.00 -1.73 0.00 0.00 68.15 68.81 1uxm h THR 54 CO 0.27 0.16 -0.85 0.00 -0.25 0.00 0.00 175.52 174.85 1uxm n ALA 55 N -2.48 4.18 -0.91 6.62 0.00 -1.26 -5.05 120.51 121.60 1uxm n ALA 55 Ca -0.02 -4.12 0.00 0.00 0.00 0.00 0.00 53.44 49.30 1uxm n ALA 55 Cb 0.23 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 -0.21 2.11 0.22 0.00 0.00 -1.14 -3.18 105.19 102.99 1uxm n GLY 56 Ca 0.29 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.19 0.00 0.00 2.02 -1.90 -2.46 112.91 111.76 1uxm h THR 58 Ca -0.00 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1uxm h THR 58 Cb 0.88 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1uxm h THR 58 CO 0.02 0.20 0.00 -1.54 0.37 0.00 0.00 175.52 174.58 1uxm n SER 59 N -4.42 0.00 0.20 4.18 3.41 -1.22 -2.53 113.62 113.24 1uxm n SER 59 Ca 0.10 -0.52 0.14 0.00 -0.26 0.00 0.00 58.87 58.34 1uxm n SER 59 Cb 0.05 -0.11 0.60 0.00 -0.26 0.00 0.00 64.21 64.49 1uxm n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uxm h ALA 60 N 3.44 1.00 0.00 7.33 0.00 -1.21 -3.40 119.26 126.42 1uxm h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uxm h ALA 60 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1uxm h ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uxm n GLY 61 N -0.05 -1.65 0.00 0.00 0.00 -1.05 -0.71 105.19 101.73 1uxm n GLY 61 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 0.22 -2.40 1.61 -0.04 -1.26 -4.63 135.00 128.50 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 -0.59 3.24 -0.03 0.54 3.76 -1.26 0.02 115.29 120.97 1uxm s HIS 63 Ca 0.00 1.61 -0.30 0.00 -0.15 0.00 0.00 55.06 56.22 1uxm s HIS 63 Cb 0.00 -3.31 -0.08 0.00 1.11 0.00 0.00 32.58 30.31 1uxm s HIS 63 CO 0.00 -0.97 1.99 0.12 -0.85 0.00 0.00 174.74 175.03 1uxm s PHE 64 N -1.41 1.31 -0.42 1.40 5.36 -0.67 -4.44 117.98 119.11 1uxm s PHE 64 Ca 0.54 -0.20 0.09 0.00 -0.96 0.00 0.00 56.93 56.40 1uxm s PHE 64 Cb -0.29 -4.16 0.30 0.00 -0.34 0.00 0.00 43.02 38.53 1uxm s PHE 64 CO 0.37 -5.11 0.79 -1.71 -1.46 0.00 0.00 175.22 168.10 1uxm n ASN 65 N 8.41 -0.69 0.26 6.13 5.15 -1.26 -1.27 115.26 131.99 1uxm n ASN 65 Ca 0.22 -3.14 0.17 0.00 -0.60 0.00 0.00 54.58 51.23 1uxm n ASN 65 Cb 0.42 0.37 0.79 0.00 -0.53 0.00 0.00 39.78 40.83 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 3.41 0.00 -0.01 1.20 0.13 -1.92 -1.76 132.00 133.04 1uxm h PRO 66 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1uxm h PRO 66 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1uxm h PRO 66 CO 0.38 0.00 -0.16 1.28 -0.23 0.00 0.00 178.00 179.27 1uxm n LEU 67 N -2.85 1.60 -3.37 1.56 4.77 -1.26 -4.98 117.00 112.47 1uxm n LEU 67 Ca -0.00 -0.51 -0.18 0.00 -0.03 0.00 0.00 56.01 55.29 1uxm n LEU 67 Cb 0.20 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.33 1uxm n LEU 67 CO 0.22 0.28 0.13 -1.20 -1.33 0.00 0.00 177.39 175.49 1uxm n SER 68 N 0.00 -2.72 -4.96 -1.43 7.64 -0.66 -5.01 113.62 106.47 1uxm n SER 68 Ca 0.14 -0.59 -0.24 0.00 1.01 0.00 0.00 58.87 59.20 1uxm n SER 68 Cb 0.40 -4.96 0.02 0.00 -1.01 0.00 0.00 64.21 58.66 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 -5.47 2.26 0.47 1.43 1.81 -1.26 -5.12 118.95 113.07 1uxm s ARG 69 Ca 0.09 -1.89 -0.03 0.00 -1.72 0.00 0.00 55.73 52.18 1uxm s ARG 69 Cb -0.04 -2.31 -0.02 0.00 -0.45 0.00 0.00 34.95 32.13 1uxm s ARG 69 CO 0.71 -0.73 0.74 0.15 -0.68 0.00 0.00 175.30 175.48 1uxm s LYS 70 N -4.44 3.32 0.41 3.54 1.02 -1.26 -4.75 119.74 117.58 1uxm s LYS 70 Ca 0.44 -0.08 -0.27 0.00 0.02 0.00 0.00 55.97 56.09 1uxm s LYS 70 Cb -0.04 -2.44 -0.10 0.00 -0.52 0.00 0.00 37.83 34.73 1uxm s LYS 70 CO 0.28 -0.25 1.45 -1.58 -0.92 0.00 0.00 175.35 174.33 1uxm s HIS 71 N -2.68 2.55 0.12 3.18 5.65 -0.10 -3.16 115.29 120.85 1uxm s HIS 71 Ca 0.47 1.23 -0.01 0.00 0.25 0.00 0.00 55.06 57.00 1uxm s HIS 71 Cb -0.10 -3.95 0.00 0.00 -1.18 0.00 0.00 32.58 27.35 1uxm s HIS 71 CO 0.42 -2.90 0.17 0.41 -0.65 0.00 0.00 174.74 172.19 1uxm n GLY 72 N 0.53 2.76 3.93 1.59 0.00 -1.23 -4.30 105.19 108.48 1uxm n GLY 72 Ca 0.03 -1.44 -0.25 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.72 1.67 0.51 -0.02 0.00 -1.22 -4.64 107.32 101.90 1uxm s GLY 73 Ca 0.09 -0.92 0.23 0.00 0.00 0.00 0.00 44.72 44.12 1uxm s GLY 73 CO 0.07 -0.59 2.07 -0.56 0.00 0.00 0.00 173.10 174.09 1uxm h PRO 74 N -0.29 0.00 0.00 2.90 0.13 -1.86 -0.97 132.00 131.91 1uxm h PRO 74 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1uxm h PRO 74 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1uxm h PRO 74 CO 0.59 0.12 0.00 0.87 -0.23 0.00 0.00 178.00 179.35 1uxm h LYS 75 N 0.00 0.00 -6.63 0.86 1.57 -1.94 -3.45 116.57 106.97 1uxm h LYS 75 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1uxm h LYS 75 Cb 0.28 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1uxm h LYS 75 CO 0.02 0.00 0.28 -0.51 -0.57 0.00 0.00 179.45 178.67 1uxm s ASP 76 N -4.72 7.53 0.29 0.86 1.01 -0.37 -4.96 116.67 116.31 1uxm s ASP 76 Ca 0.07 1.81 0.08 0.00 0.71 0.00 0.00 52.55 55.22 1uxm s ASP 76 Cb 0.10 -2.56 0.43 0.00 1.01 0.00 0.00 42.92 41.90 1uxm s ASP 76 CO 0.53 0.16 1.67 -0.33 0.21 0.00 0.00 175.17 177.40 1uxm h GLU 77 N 4.37 0.12 -5.76 8.23 5.08 -1.87 -3.35 114.58 121.40 1uxm h GLU 77 Ca -0.46 -0.07 -0.62 0.00 -1.00 0.00 0.00 59.36 57.21 1uxm h GLU 77 Cb 1.20 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.33 1uxm h GLU 77 CO 0.68 0.60 1.16 -2.00 -1.00 0.00 0.00 179.01 178.45 1uxm s GLU 78 N -3.92 3.50 0.23 2.33 2.56 -1.26 -4.93 118.70 117.21 1uxm s GLU 78 Ca -0.03 -1.17 -0.19 0.00 0.00 0.00 0.00 54.97 53.58 1uxm s GLU 78 Cb 0.13 -4.98 0.03 0.00 2.00 0.00 0.00 34.13 31.31 1uxm s GLU 78 CO 0.77 -2.04 0.59 -0.98 -0.56 0.00 0.00 175.26 173.04 1uxm s ARG 79 N 4.32 1.53 0.44 4.30 1.04 -1.19 -3.50 118.95 125.89 1uxm s ARG 79 Ca 0.39 -0.92 -0.20 0.00 -1.04 0.00 0.00 55.73 53.95 1uxm s ARG 79 Cb -0.04 0.55 -0.11 0.00 -2.04 0.00 0.00 34.95 33.32 1uxm s ARG 79 CO -0.05 -0.67 0.95 -1.01 -0.04 0.00 0.00 175.30 174.48 1uxm s HIS 80 N -3.90 3.33 0.29 5.89 3.76 -1.22 -4.65 115.29 118.79 1uxm s HIS 80 Ca 0.11 1.59 0.03 0.00 -0.15 0.00 0.00 55.06 56.64 1uxm s HIS 80 Cb -0.03 -2.84 0.63 0.00 1.11 0.00 0.00 32.58 31.45 1uxm s HIS 80 CO 0.01 -0.14 1.81 0.28 -0.85 0.00 0.00 174.74 175.85 1uxm h VAL 81 N 1.80 0.83 0.00 -0.90 2.07 -1.83 -1.59 116.25 116.63 1uxm h VAL 81 Ca -0.49 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1uxm h VAL 81 Cb 1.18 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1uxm h VAL 81 CO 0.61 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.97 1uxm n GLY 82 N -1.34 -0.40 3.46 2.17 0.00 -0.39 -4.27 105.19 104.42 1uxm n GLY 82 Ca 0.21 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.05 6.39 -0.04 1.61 1.01 -0.60 -1.09 116.67 121.90 1uxm s ASP 83 Ca 0.17 -1.48 0.18 0.00 0.71 0.00 0.00 52.55 52.13 1uxm s ASP 83 Cb 0.08 -2.42 0.59 0.00 1.01 0.00 0.00 42.92 42.18 1uxm s ASP 83 CO 0.14 -1.28 1.49 0.18 0.21 0.00 0.00 175.17 175.91 1uxm n LEU 84 N 7.30 3.77 0.00 1.23 4.77 -1.16 -3.44 117.00 129.46 1uxm n LEU 84 Ca 0.11 -1.89 0.00 0.00 -0.03 0.00 0.00 56.01 54.20 1uxm n LEU 84 Cb 0.47 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1uxm n LEU 84 CO 0.58 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 178.05 1uxm n GLY 85 N 1.31 0.38 3.54 -0.72 0.00 -1.22 -4.78 105.19 103.70 1uxm n GLY 85 Ca 0.22 -0.95 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 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 4.04 0.29 1.61 0.01 -1.26 -1.31 114.94 114.31 1uxm s ASN 86 Ca 0.00 -0.76 0.12 0.00 -0.71 0.00 0.00 52.86 51.50 1uxm s ASN 86 Cb 0.00 -0.57 -0.05 0.00 0.41 0.00 0.00 41.25 41.04 1uxm s ASN 86 CO 0.00 0.06 -0.19 0.68 -1.51 0.00 0.00 177.10 176.14 1uxm s VAL 87 N -2.10 2.45 -0.15 1.60 -7.23 0.12 -4.90 120.40 110.20 1uxm s VAL 87 Ca 0.28 -2.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.08 1uxm s VAL 87 Cb -0.07 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.55 1uxm s VAL 87 CO 0.16 -0.38 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.47 1uxm s THR 88 N -2.52 2.09 -0.07 5.32 2.01 -1.26 -1.26 115.64 119.95 1uxm s THR 88 Ca 0.30 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.23 1uxm s THR 88 Cb -0.04 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1uxm s THR 88 CO 0.15 0.54 0.28 0.00 -0.69 0.00 0.00 174.62 174.90 1uxm s ALA 89 N 0.96 3.77 1.02 7.40 0.00 0.57 -4.16 121.76 131.31 1uxm s ALA 89 Ca -0.03 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 1uxm s ALA 89 Cb -0.15 -2.20 0.19 0.00 0.00 0.00 0.00 23.12 20.96 1uxm s ALA 89 CO -0.05 0.51 1.10 -0.40 0.00 0.00 0.00 175.76 176.91 1uxm n ASP 90 N 2.05 -0.07 0.14 0.00 5.68 0.81 -1.20 116.55 123.96 1uxm n ASP 90 Ca -0.16 -1.38 0.12 0.00 -0.50 0.00 0.00 54.79 52.87 1uxm n ASP 90 Cb 0.53 -0.85 0.52 0.00 -1.14 0.00 0.00 41.12 40.18 1uxm n ASP 90 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1uxm n LYS 91 N -3.43 0.20 -0.08 0.11 -0.00 -1.26 -1.17 118.16 112.53 1uxm n LYS 91 Ca 0.14 0.47 0.10 0.00 -0.00 0.00 0.00 58.31 59.02 1uxm n LYS 91 Cb 0.48 -1.91 0.37 0.00 -0.00 0.00 0.00 35.03 33.97 1uxm n LYS 91 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1uxm n ASP 92 N -2.29 1.57 0.00 -5.58 8.00 -1.26 -4.88 116.55 112.11 1uxm n ASP 92 Ca 0.01 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1uxm n ASP 92 Cb 0.20 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 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 1.10 0.57 3.35 0.44 0.00 -0.31 -4.71 105.19 105.63 1uxm n GLY 93 Ca 0.16 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 2.98 -0.30 1.61 1.01 -1.25 -1.52 120.40 120.93 1uxm s VAL 94 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1uxm s VAL 94 Cb 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1uxm s VAL 94 CO 0.00 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.66 1uxm s ALA 95 N 0.46 2.94 -0.50 5.51 0.00 0.26 -0.13 121.76 130.30 1uxm s ALA 95 Ca -0.10 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.06 1uxm s ALA 95 Cb -0.16 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 20.96 1uxm s ALA 95 CO 0.05 -1.06 0.83 -0.51 0.00 0.00 0.00 175.76 175.07 1uxm s ASP 96 N 1.40 6.35 -0.04 0.00 -0.00 -1.26 -1.12 116.67 122.00 1uxm s ASP 96 Ca -0.00 -0.33 -0.22 0.00 -0.00 0.00 0.00 52.55 52.00 1uxm s ASP 96 Cb -0.18 -2.40 -0.05 0.00 -0.00 0.00 0.00 42.92 40.30 1uxm s ASP 96 CO 0.00 -1.05 0.65 -0.69 -0.00 0.00 0.00 175.17 174.08 1uxm s VAL 97 N 3.50 4.98 -0.27 -1.27 1.01 0.33 -4.89 120.40 123.79 1uxm s VAL 97 Ca 0.28 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 1uxm s VAL 97 Cb -0.13 -3.99 0.15 0.00 0.00 0.00 0.00 36.38 32.41 1uxm s VAL 97 CO 0.20 0.33 0.40 -0.55 0.00 0.00 0.00 175.10 175.48 1uxm s SER 98 N 0.34 0.22 0.04 3.32 0.15 -1.25 -1.63 113.70 114.90 1uxm s SER 98 Ca 0.34 -0.01 0.04 0.00 0.70 0.00 0.00 55.95 57.02 1uxm s SER 98 Cb -0.18 1.17 -0.02 0.00 -1.71 0.00 0.00 66.02 65.27 1uxm s SER 98 CO 0.17 -0.32 -0.12 -0.63 1.20 0.00 0.00 173.24 173.55 1uxm s ILE 99 N 2.56 0.90 -0.11 6.45 1.01 0.88 -5.00 121.20 127.90 1uxm s ILE 99 Ca 0.12 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1uxm s ILE 99 Cb -0.14 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.48 1uxm s ILE 99 CO -0.22 -0.10 -0.20 -0.70 0.00 0.00 0.00 174.94 173.71 1uxm s GLU 100 N -1.21 2.66 -0.01 2.79 2.12 -1.26 -0.48 118.70 123.30 1uxm s GLU 100 Ca -0.02 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.59 1uxm s GLU 100 Cb -0.08 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.20 1uxm s GLU 100 CO 0.01 0.05 -0.04 0.34 -0.54 0.00 0.00 175.26 175.08 1uxm s ASP 101 N 0.67 0.49 -0.01 -1.70 2.15 -0.40 -4.95 116.67 112.91 1uxm s ASP 101 Ca -0.12 -0.07 0.10 0.00 0.43 0.00 0.00 52.55 52.88 1uxm s ASP 101 Cb -0.16 -0.08 0.28 0.00 -0.30 0.00 0.00 42.92 42.66 1uxm s ASP 101 CO 0.03 0.04 1.23 -1.20 -0.17 0.00 0.00 175.17 175.09 1uxm n SER 102 N 3.10 2.86 -0.13 -0.34 7.64 -1.26 -0.60 113.62 124.90 1uxm n SER 102 Ca -0.14 -2.07 -0.27 0.00 1.01 0.00 0.00 58.87 57.40 1uxm n SER 102 Cb 0.58 -0.22 -0.10 0.00 -1.01 0.00 0.00 64.21 63.46 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 0.30 1.53 -0.79 0.44 0.31 -1.26 -4.89 118.33 113.98 1uxm n VAL 103 Ca 0.11 -0.26 -0.31 0.00 -0.01 0.00 0.00 64.34 63.86 1uxm n VAL 103 Cb 0.43 -1.95 0.16 0.00 -0.91 0.00 0.00 33.84 31.57 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 -2.49 2.12 0.13 2.52 -4.36 -1.26 -4.85 121.20 113.00 1uxm s ILE 104 Ca -0.36 0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 59.97 1uxm s ILE 104 Cb 0.12 -2.14 0.01 0.00 1.25 0.00 0.00 42.46 41.70 1uxm s ILE 104 CO 0.51 -0.05 0.29 -0.55 0.24 0.00 0.00 174.94 175.38 1uxm s SER 105 N -2.63 -0.00 -0.14 4.36 0.15 -1.02 -4.73 113.70 109.69 1uxm s SER 105 Ca 0.67 -0.65 0.17 0.00 0.70 0.00 0.00 55.95 56.85 1uxm s SER 105 Cb -0.23 0.42 0.73 0.00 -1.71 0.00 0.00 66.02 65.22 1uxm s SER 105 CO 0.57 -0.83 1.65 0.18 1.20 0.00 0.00 173.24 176.00 1uxm n LEU 106 N -0.16 4.93 -3.81 3.45 4.77 -1.26 -1.70 117.00 123.22 1uxm n LEU 106 Ca -0.12 -2.57 -0.07 0.00 -0.03 0.00 0.00 56.01 53.22 1uxm n LEU 106 Cb 0.63 -0.60 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1uxm n LEU 106 CO 0.22 0.77 0.49 -0.94 -1.33 0.00 0.00 177.39 176.59 1uxm s SER 107 N -0.93 -0.28 0.32 -1.43 1.04 -1.26 -4.24 113.70 106.92 1uxm s SER 107 Ca 0.51 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1uxm s SER 107 Cb 0.35 0.69 0.00 0.00 0.10 0.00 0.00 66.02 67.16 1uxm s SER 107 CO 0.22 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1uxm n GLY 108 N -0.45 -1.40 0.35 7.32 0.00 -1.26 -3.22 105.19 106.53 1uxm n GLY 108 Ca -0.05 -1.25 0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 0.33 -0.52 1.61 3.32 -2.01 -0.55 116.42 118.60 1uxm h ASP 109 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1uxm h ASP 109 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1uxm h ASP 109 CO 0.00 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.13 1uxm n HIS 110 N -4.47 1.53 -1.71 4.55 8.25 -1.26 -4.95 115.22 117.16 1uxm n HIS 110 Ca 0.09 -0.56 -0.43 0.00 -0.26 0.00 0.00 57.72 56.56 1uxm n HIS 110 Cb 0.36 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 4.03 0.20 -1.76 0.00 -5.35 -0.69 -4.93 119.36 110.86 1uxm n ILE 112 Ca 0.16 -0.60 -0.42 0.00 -0.27 0.00 0.00 62.75 61.63 1uxm n ILE 112 Cb 0.35 1.23 -0.02 0.00 -1.74 0.00 0.00 39.64 39.45 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 -1.52 2.08 0.00 7.28 1.01 -1.26 -1.79 121.20 127.00 1uxm s ILE 113 Ca 0.27 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1uxm s ILE 113 Cb 0.17 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1uxm s ILE 113 CO 0.25 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1uxm n GLY 114 N 3.33 0.59 1.65 6.18 0.00 0.12 -4.97 105.19 112.10 1uxm n GLY 114 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.81 0.92 -5.02 1.61 1.74 -0.74 -2.44 116.66 109.91 1uxm n ARG 115 Ca 0.00 -1.37 -0.32 0.00 -0.77 0.00 0.00 57.85 55.39 1uxm n ARG 115 Cb 0.00 -0.03 -0.16 0.00 -1.02 0.00 0.00 32.46 31.25 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 -0.70 2.37 -0.07 0.55 2.01 -0.96 0.15 115.64 118.98 1uxm s THR 116 Ca 0.23 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.13 1uxm s THR 116 Cb -0.02 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1uxm s THR 116 CO 0.14 0.55 0.52 -0.22 -0.69 0.00 0.00 174.62 174.92 1uxm s LEU 117 N 0.40 4.34 -0.06 4.42 2.96 -0.24 0.37 118.68 130.87 1uxm s LEU 117 Ca -0.15 0.96 0.04 0.00 -0.22 0.00 0.00 54.13 54.75 1uxm s LEU 117 Cb -0.17 -2.78 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1uxm s LEU 117 CO 0.07 0.05 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.28 1uxm s VAL 118 N 0.26 1.50 -0.16 1.68 1.01 0.72 -1.92 120.40 123.48 1uxm s VAL 118 Ca 0.28 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 1uxm s VAL 118 Cb -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1uxm s VAL 118 CO 0.13 0.43 -0.04 0.54 0.00 0.00 0.00 175.10 176.17 1uxm s VAL 119 N 0.21 3.88 0.30 2.92 0.11 -0.59 -1.06 120.40 126.17 1uxm s VAL 119 Ca -0.08 -0.36 0.06 0.00 -2.93 0.00 0.00 61.98 58.67 1uxm s VAL 119 Cb -0.14 -2.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.99 1uxm s VAL 119 CO 0.04 0.49 0.40 -1.00 -3.33 0.00 0.00 175.10 171.69 1uxm s HIS 120 N 0.42 3.18 0.21 1.54 3.76 0.55 -1.27 115.29 123.67 1uxm s HIS 120 Ca -0.04 -0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.61 1uxm s HIS 120 Cb -0.14 -1.81 0.16 0.00 1.11 0.00 0.00 32.58 31.90 1uxm s HIS 120 CO 0.03 0.17 1.84 1.49 -0.85 0.00 0.00 174.74 177.42 1uxm h GLU 121 N 1.05 1.08 -5.03 1.40 4.81 -0.56 -3.38 114.58 113.97 1uxm h GLU 121 Ca -0.47 -0.12 -0.57 0.00 -0.13 0.00 0.00 59.36 58.07 1uxm h GLU 121 Cb 1.25 -0.22 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 1uxm h GLU 121 CO 0.56 0.79 -0.50 0.15 -0.73 0.00 0.00 179.01 179.28 1uxm s LYS 122 N -5.88 1.96 0.49 1.92 1.02 0.17 -4.91 119.74 114.52 1uxm s LYS 122 Ca -0.13 -2.20 -0.22 0.00 0.02 0.00 0.00 55.97 53.43 1uxm s LYS 122 Cb 0.15 -0.58 -0.06 0.00 -0.52 0.00 0.00 37.83 36.82 1uxm s LYS 122 CO 0.80 -0.51 1.24 0.00 -0.92 0.00 0.00 175.35 175.96 1uxm s ALA 123 N -3.19 2.92 -0.15 5.17 0.00 -1.13 -1.03 121.76 124.34 1uxm s ALA 123 Ca 0.23 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 1uxm s ALA 123 Cb 0.02 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 1uxm s ALA 123 CO 0.15 -0.92 0.80 0.34 0.00 0.00 0.00 175.76 176.13 1uxm s ASP 124 N -1.21 6.96 0.00 0.00 -1.08 -1.26 -3.71 116.67 116.37 1uxm s ASP 124 Ca 0.66 1.17 0.16 0.00 -0.52 0.00 0.00 52.55 54.03 1uxm s ASP 124 Cb -0.33 -2.44 0.85 0.00 -1.46 0.00 0.00 42.92 39.54 1uxm s ASP 124 CO 0.39 -0.33 1.56 -0.90 0.52 0.00 0.00 175.17 176.41 1uxm n ASP 125 N 4.91 0.39 -2.21 -0.34 5.68 0.12 -4.88 116.55 120.21 1uxm n ASP 125 Ca 0.03 -1.58 -0.19 0.00 -0.50 0.00 0.00 54.79 52.55 1uxm n ASP 125 Cb 0.49 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.49 -1.91 -0.07 -2.12 4.77 -1.26 -2.28 117.00 113.64 1uxm n LEU 126 Ca 0.12 -0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1uxm n LEU 126 Cb 0.11 -2.75 -0.00 0.00 -2.33 0.00 0.00 43.42 38.45 1uxm n LEU 126 CO 0.09 -0.18 -0.01 0.61 -1.33 0.00 0.00 177.39 176.57 1uxm n GLY 127 N -1.04 0.49 0.97 -0.72 0.00 -1.26 -3.41 105.19 100.23 1uxm n GLY 127 Ca -0.22 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.55 2.55 0.00 1.61 5.02 -0.97 -4.59 118.16 119.22 1uxm n LYS 128 Ca -0.01 -2.93 0.14 0.00 -2.02 0.00 0.00 58.31 53.48 1uxm n LYS 128 Cb 0.08 -1.84 0.53 0.00 -0.02 0.00 0.00 35.03 33.79 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 -0.73 -1.26 2.06 0.72 0.00 -1.26 -4.96 105.19 99.75 1uxm n GLY 129 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.43 0.47 3.46 -0.02 0.00 -1.26 -4.97 105.19 104.29 1uxm n GLY 130 Ca 0.09 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.15 2.39 0.21 1.61 2.20 -1.26 -5.04 114.94 112.90 1uxm s ASN 131 Ca 0.00 -1.45 -0.08 0.00 -0.94 0.00 0.00 52.86 50.39 1uxm s ASN 131 Cb 0.00 0.09 0.16 0.00 -2.00 0.00 0.00 41.25 39.50 1uxm s ASN 131 CO 0.00 -0.70 1.79 -0.08 -2.94 0.00 0.00 177.10 175.17 1uxm h GLU 132 N 2.05 1.19 -0.46 3.55 4.81 -2.00 -2.16 114.58 121.56 1uxm h GLU 132 Ca -0.39 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 58.69 1uxm h GLU 132 Cb 1.25 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1uxm h GLU 132 CO 0.66 0.94 0.31 1.49 -0.73 0.00 0.00 179.01 181.68 1uxm h GLU 133 N 1.16 0.39 -0.60 1.92 4.57 -1.99 -1.87 114.58 118.16 1uxm h GLU 133 Ca 0.27 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1uxm h GLU 133 Cb 0.18 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.65 1uxm h GLU 133 CO -0.03 0.26 0.31 1.03 -1.18 0.00 0.00 179.01 179.40 1uxm h SER 134 N 0.40 0.77 0.32 1.04 0.87 -1.73 0.12 113.55 115.34 1uxm h SER 134 Ca 0.20 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1uxm h SER 134 Cb 0.27 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1uxm h SER 134 CO -0.05 0.67 0.00 0.35 -0.53 0.00 0.00 176.83 177.27 1uxm n THR 135 N -4.54 0.35 -0.05 2.23 -2.24 -0.72 -1.67 114.28 107.65 1uxm n THR 135 Ca 0.04 0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.80 1uxm n THR 135 Cb 0.11 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 67.54 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 -1.25 0.30 0.00 -0.78 5.02 -0.67 -0.92 118.16 119.86 1uxm n LYS 136 Ca 0.10 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1uxm n LYS 136 Cb 0.15 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 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 -3.84 0.00 -1.03 -0.18 -2.24 -0.06 -4.65 114.28 102.29 1uxm n THR 137 Ca -0.19 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.09 1uxm n THR 137 Cb 0.50 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.32 0.48 2.44 3.38 0.00 -0.67 -3.25 105.19 107.89 1uxm n GLY 138 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 0.20 -4.60 0.04 1.61 3.02 -1.24 0.16 115.26 114.45 1uxm n ASN 139 Ca -0.01 0.12 0.09 0.00 -0.03 0.00 0.00 54.58 54.75 1uxm n ASN 139 Cb 0.11 -3.87 0.40 0.00 -0.61 0.00 0.00 39.78 35.81 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 -2.17 1.76 -0.12 5.41 0.00 -1.20 -4.74 120.51 119.45 1uxm n ALA 140 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1uxm n ALA 140 Cb 0.64 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.78 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 0.22 -0.38 3.71 0.00 0.00 -1.26 -0.65 105.19 106.83 1uxm n GLY 141 Ca 0.04 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1uxm n GLY 141 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uxm s SER 142 N -4.00 3.81 -0.48 1.61 0.01 -1.26 -4.63 113.70 108.76 1uxm s SER 142 Ca 0.00 2.22 -0.18 0.00 1.31 0.00 0.00 55.95 59.29 1uxm s SER 142 Cb 0.00 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.71 1uxm s SER 142 CO 0.00 -2.51 0.56 -0.13 0.41 0.00 0.00 173.24 171.57 1uxm s ARG 143 N -4.30 3.12 0.08 12.44 0.52 -1.26 -0.27 118.95 129.28 1uxm s ARG 143 Ca 0.70 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.96 1uxm s ARG 143 Cb -0.25 -4.06 -0.22 0.00 0.52 0.00 0.00 34.95 30.94 1uxm s ARG 143 CO 0.51 -1.09 1.18 -0.07 0.02 0.00 0.00 175.30 175.85 1uxm h LEU 144 N 9.46 0.72 -7.23 2.53 3.38 -1.49 -3.47 115.31 119.21 1uxm h LEU 144 Ca -0.27 -0.64 -0.05 0.00 0.09 0.00 0.00 57.88 57.01 1uxm h LEU 144 Cb 1.10 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1uxm h LEU 144 CO 0.91 1.45 0.03 0.00 0.09 0.00 0.00 178.44 180.92 1uxm s ALA 145 N -3.07 -1.23 0.25 1.53 0.00 -1.14 -4.18 121.76 113.91 1uxm s ALA 145 Ca -0.08 0.32 -0.18 0.00 0.00 0.00 0.00 51.96 52.03 1uxm s ALA 145 Cb 0.07 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.82 1uxm s ALA 145 CO 0.91 -0.62 0.60 0.00 0.00 0.00 0.00 175.76 176.65 1uxm s GLY 147 N -2.93 -0.54 0.23 0.00 0.00 -0.81 -1.42 107.32 101.85 1uxm s GLY 147 Ca 0.14 0.52 -0.28 0.00 0.00 0.00 0.00 44.72 45.09 1uxm s GLY 147 CO 0.05 0.17 0.89 0.14 0.00 0.00 0.00 173.10 174.34 1uxm s VAL 148 N -3.63 4.18 -0.23 1.40 1.01 -1.26 -1.08 120.40 120.79 1uxm s VAL 148 Ca 0.03 1.93 -0.21 0.00 0.00 0.00 0.00 61.98 63.72 1uxm s VAL 148 Cb -0.01 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1uxm s VAL 148 CO -0.10 0.47 0.68 -0.63 0.00 0.00 0.00 175.10 175.51 1uxm s ILE 149 N -1.22 4.96 0.30 2.22 1.01 0.12 -4.53 121.20 124.06 1uxm s ILE 149 Ca 0.40 1.26 0.08 0.00 0.00 0.00 0.00 60.65 62.38 1uxm s ILE 149 Cb -0.24 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1uxm s ILE 149 CO 0.29 0.03 -0.07 -0.83 0.00 0.00 0.00 174.94 174.36 1uxm s GLY 150 N 1.36 1.94 0.06 6.18 0.00 -0.02 0.14 107.32 116.97 1uxm s GLY 150 Ca 0.29 -1.96 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 1uxm s GLY 150 CO 0.09 -1.90 1.00 -0.42 0.00 0.00 0.00 173.10 171.87 1uxm s ILE 151 N -2.88 4.60 0.34 0.90 1.01 -1.26 -0.68 121.20 123.23 1uxm s ILE 151 Ca 0.30 1.98 0.08 0.00 0.00 0.00 0.00 60.65 63.02 1uxm s ILE 151 Cb 0.03 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1uxm s ILE 151 CO 0.13 0.22 0.12 0.00 0.00 0.00 0.00 174.94 175.41 1uxm s ALA 152 N 0.56 3.44 -2.00 9.38 0.00 -0.14 -4.79 121.76 128.21 1uxm s ALA 152 Ca 0.51 -1.86 0.31 0.00 0.00 0.00 0.00 51.96 50.91 1uxm s ALA 152 Cb -0.23 -0.65 1.83 0.00 0.00 0.00 0.00 23.12 24.07 1uxm s ALA 152 CO 0.29 0.04 2.15 0.94 0.00 0.00 0.00 175.76 179.18