#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 0.05 -4.68 0.00 -1.04 -1.26 -4.78 114.28 102.56 1uxm n THR 2 Ca 0.00 0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.71 1uxm n THR 2 Cb 0.00 -0.61 -0.17 0.00 -1.82 0.00 0.00 70.33 67.74 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 -2.00 2.82 0.18 -2.82 1.02 -1.26 0.03 119.74 117.71 1uxm s LYS 3 Ca 0.00 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.24 1uxm s LYS 3 Cb 0.00 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.98 1uxm s LYS 3 CO 0.00 -0.00 -0.05 0.14 -0.92 0.00 0.00 175.35 174.52 1uxm s VAL 4 N 0.80 1.02 0.02 3.17 -7.23 -0.24 -1.26 120.40 116.68 1uxm s VAL 4 Ca -0.08 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 57.94 1uxm s VAL 4 Cb -0.16 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.72 1uxm s VAL 4 CO -0.01 -0.54 0.24 0.54 -0.31 0.00 0.00 175.10 175.02 1uxm s VAL 5 N -3.43 0.08 -0.03 1.32 0.11 0.84 -0.61 120.40 118.68 1uxm s VAL 5 Ca 0.22 -0.69 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 1uxm s VAL 5 Cb 0.04 -0.73 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1uxm s VAL 5 CO 0.04 -0.38 0.07 0.00 -3.33 0.00 0.00 175.10 171.50 1uxm s VAL 7 N 0.71 3.79 -0.12 0.00 1.01 -1.26 -1.39 120.40 123.14 1uxm s VAL 7 Ca -0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.10 1uxm s VAL 7 Cb -0.08 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1uxm s VAL 7 CO -0.03 0.17 0.47 -0.76 0.00 0.00 0.00 175.10 174.95 1uxm s LEU 8 N 1.49 4.28 0.03 3.92 1.02 0.78 -3.85 118.68 126.34 1uxm s LEU 8 Ca 0.03 0.80 -0.13 0.00 0.02 0.00 0.00 54.13 54.85 1uxm s LEU 8 Cb -0.16 -2.68 0.02 0.00 0.02 0.00 0.00 46.19 43.38 1uxm s LEU 8 CO 0.01 0.01 0.28 -0.54 0.02 0.00 0.00 176.35 176.13 1uxm s LYS 9 N 0.60 0.75 0.00 1.70 1.02 -0.69 -1.53 119.74 121.59 1uxm s LYS 9 Ca 0.26 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1uxm s LYS 9 Cb -0.15 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1uxm s LYS 9 CO 0.10 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 1uxm n GLY 10 N 0.76 3.95 0.65 -3.33 0.00 -1.25 -1.77 105.19 104.19 1uxm n GLY 10 Ca -0.19 -0.92 0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 0.00 1.98 0.00 1.61 9.92 -1.26 -4.94 116.55 123.86 1uxm n ASP 11 Ca 0.00 -1.71 0.00 0.00 -0.53 0.00 0.00 54.79 52.55 1uxm n ASP 11 Cb 0.00 -0.08 0.00 0.00 -0.64 0.00 0.00 41.12 40.40 1uxm n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1uxm n GLY 12 N 1.21 5.62 0.08 0.44 0.00 -1.26 -5.05 105.19 106.23 1uxm n GLY 12 Ca 0.17 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 0.35 -2.31 1.61 -0.04 -1.26 -4.87 135.00 128.47 1uxm n PRO 13 Ca 0.00 -0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 62.88 1uxm n PRO 13 Cb 0.00 -1.50 -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 -2.76 3.94 -0.09 0.52 1.01 -1.26 -4.34 120.40 117.42 1uxm s VAL 14 Ca 0.19 1.28 -0.20 0.00 0.00 0.00 0.00 61.98 63.24 1uxm s VAL 14 Cb 0.19 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.79 1uxm s VAL 14 CO 0.57 -0.02 0.49 0.00 0.00 0.00 0.00 175.10 176.14 1uxm s GLN 15 N 2.54 0.75 0.12 2.72 -2.07 -0.87 -3.92 119.66 118.94 1uxm s GLN 15 Ca 0.61 0.26 -0.25 0.00 -1.82 0.00 0.00 55.36 54.16 1uxm s GLN 15 Cb -0.28 0.35 0.08 0.00 -1.09 0.00 0.00 33.01 32.07 1uxm s GLN 15 CO 0.24 -0.19 1.11 0.20 -1.32 0.00 0.00 175.29 175.34 1uxm s GLY 16 N -0.72 -0.01 -0.06 2.60 0.00 -0.58 -0.79 107.32 107.76 1uxm s GLY 16 Ca -0.08 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.51 1uxm s GLY 16 CO 0.05 2.88 -0.06 -0.42 0.00 0.00 0.00 173.10 175.55 1uxm s ILE 17 N -2.23 0.71 -0.10 0.90 1.01 -0.85 -0.16 121.20 120.48 1uxm s ILE 17 Ca 0.22 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.72 1uxm s ILE 17 Cb -0.01 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.74 1uxm s ILE 17 CO 0.03 0.28 -0.18 -0.63 0.00 0.00 0.00 174.94 174.43 1uxm s ILE 18 N 1.14 1.68 0.03 2.92 -1.09 -0.49 -1.85 121.20 123.55 1uxm s ILE 18 Ca -0.07 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 1uxm s ILE 18 Cb -0.14 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.20 1uxm s ILE 18 CO -0.01 0.48 0.22 0.20 -1.23 0.00 0.00 174.94 174.59 1uxm s ASN 19 N 0.71 6.39 0.00 3.58 -0.87 0.20 -1.07 114.94 123.88 1uxm s ASN 19 Ca -0.12 0.36 0.05 0.00 -1.57 0.00 0.00 52.86 51.58 1uxm s ASN 19 Cb -0.16 -2.00 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 1uxm s ASN 19 CO 0.02 0.21 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.26 1uxm s PHE 20 N -1.42 1.31 -0.06 2.20 0.40 0.22 -1.76 117.98 118.87 1uxm s PHE 20 Ca 0.31 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.33 1uxm s PHE 20 Cb -0.13 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.60 1uxm s PHE 20 CO 0.22 -0.00 0.15 -2.00 0.70 0.00 0.00 175.22 174.29 1uxm s GLU 21 N -0.55 0.14 -0.06 0.44 2.12 -0.44 -1.08 118.70 119.27 1uxm s GLU 21 Ca 0.05 0.30 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 1uxm s GLU 21 Cb -0.06 -0.05 0.03 0.00 0.26 0.00 0.00 34.13 34.31 1uxm s GLU 21 CO -0.00 -0.09 0.01 -1.14 -0.54 0.00 0.00 175.26 173.49 1uxm s GLN 22 N 0.63 0.46 -0.05 4.30 0.74 0.11 -1.10 119.66 124.75 1uxm s GLN 22 Ca -0.05 0.13 -0.23 0.00 0.05 0.00 0.00 55.36 55.26 1uxm s GLN 22 Cb -0.06 -0.79 -0.25 0.00 1.10 0.00 0.00 33.01 33.01 1uxm s GLN 22 CO -0.03 -0.25 1.00 0.87 -0.55 0.00 0.00 175.29 176.32 1uxm h LYS 23 N 8.03 0.23 -6.67 1.67 1.57 -1.84 -3.39 116.57 116.16 1uxm h LYS 23 Ca -0.25 -0.27 -0.69 0.00 -1.87 0.00 0.00 60.65 57.57 1uxm h LYS 23 Cb 1.13 0.08 -0.25 0.00 0.08 0.00 0.00 32.23 33.27 1uxm h LYS 23 CO 0.30 1.02 -0.85 -1.21 -0.57 0.00 0.00 179.45 178.14 1uxm s GLU 24 N -2.94 1.92 0.30 3.15 2.02 -1.26 -5.02 118.70 116.86 1uxm s GLU 24 Ca -0.15 -1.05 -0.30 0.00 0.02 0.00 0.00 54.97 53.49 1uxm s GLU 24 Cb 0.01 -2.06 -0.12 0.00 0.10 0.00 0.00 34.13 32.06 1uxm s GLU 24 CO 0.77 0.53 1.50 -1.13 0.02 0.00 0.00 175.26 176.94 1uxm n SER 25 N 1.72 3.42 0.00 -0.19 3.41 -1.26 -1.10 113.62 119.63 1uxm n SER 25 Ca -0.17 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1uxm n SER 25 Cb 0.52 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 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 1.77 0.00 -2.60 4.04 3.02 -1.26 -4.99 115.26 115.24 1uxm n ASN 26 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1uxm n ASN 26 Cb 0.35 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 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 -2.00 -1.00 3.81 7.41 0.00 -0.26 -5.03 105.19 108.13 1uxm n GLY 27 Ca 0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.28 4.30 -0.26 1.61 0.04 -1.26 -4.81 135.00 133.33 1uxm s PRO 28 Ca 0.00 1.08 -0.10 0.00 0.04 0.00 0.00 61.00 62.02 1uxm s PRO 28 Cb 0.00 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1uxm s PRO 28 CO 0.00 0.13 0.16 0.08 0.04 0.00 0.00 177.00 177.41 1uxm s VAL 29 N -1.92 5.16 0.04 -0.36 1.01 -0.20 -4.38 120.40 119.75 1uxm s VAL 29 Ca 0.56 0.12 -0.26 0.00 0.00 0.00 0.00 61.98 62.39 1uxm s VAL 29 Cb -0.13 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1uxm s VAL 29 CO 0.17 0.29 0.82 -0.54 0.00 0.00 0.00 175.10 175.84 1uxm s LYS 30 N 1.56 4.54 -0.09 2.72 1.02 -0.25 -1.54 119.74 127.69 1uxm s LYS 30 Ca 0.07 1.16 0.03 0.00 0.02 0.00 0.00 55.97 57.24 1uxm s LYS 30 Cb -0.15 -3.39 0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1uxm s LYS 30 CO 0.08 0.21 -0.17 0.54 -0.92 0.00 0.00 175.35 175.09 1uxm s VAL 31 N 0.17 1.53 0.08 3.17 0.11 0.24 -1.33 120.40 124.36 1uxm s VAL 31 Ca 0.41 -0.69 -0.23 0.00 -2.93 0.00 0.00 61.98 58.55 1uxm s VAL 31 Cb -0.21 -1.36 0.06 0.00 -1.53 0.00 0.00 36.38 33.34 1uxm s VAL 31 CO 0.24 0.44 0.54 -1.66 -3.33 0.00 0.00 175.10 171.34 1uxm s TRP 32 N 0.67 -0.45 -4.78 1.54 -2.14 -0.72 0.28 118.94 113.34 1uxm s TRP 32 Ca -0.13 0.42 0.00 0.00 2.66 0.00 0.00 56.10 59.05 1uxm s TRP 32 Cb -0.16 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.61 1uxm s TRP 32 CO 0.04 -0.71 0.00 0.41 -2.66 0.00 0.00 176.95 174.03 1uxm n GLY 33 N 0.15 -1.08 2.99 3.67 0.00 -0.86 0.62 105.19 110.69 1uxm n GLY 33 Ca -0.18 -1.17 -0.18 0.00 0.00 0.00 0.00 46.02 44.49 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 0.92 -0.12 1.61 0.15 -0.77 -1.00 113.70 110.48 1uxm s SER 34 Ca 0.00 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1uxm s SER 34 Cb 0.00 -0.13 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 1uxm s SER 34 CO 0.00 0.08 -0.20 -0.63 1.20 0.00 0.00 173.24 173.69 1uxm s ILE 35 N -0.09 1.85 0.38 6.45 1.01 -0.59 -2.00 121.20 128.21 1uxm s ILE 35 Ca 0.02 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 59.88 1uxm s ILE 35 Cb -0.04 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1uxm s ILE 35 CO -0.00 0.51 0.19 -1.59 0.00 0.00 0.00 174.94 174.04 1uxm s LYS 36 N 0.77 2.34 0.00 2.79 -2.85 0.03 -0.89 119.74 121.93 1uxm s LYS 36 Ca -0.10 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.22 1uxm s LYS 36 Cb -0.16 -2.13 0.00 0.00 -2.06 0.00 0.00 37.83 33.48 1uxm s LYS 36 CO 0.01 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1uxm n GLY 37 N -1.23 0.76 3.97 0.59 0.00 -1.06 -2.05 105.19 106.17 1uxm n GLY 37 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 3.97 0.38 0.99 1.43 -1.14 -4.17 118.68 120.14 1uxm s LEU 38 Ca 0.00 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 52.68 1uxm s LEU 38 Cb 0.00 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.42 1uxm s LEU 38 CO 0.00 -0.37 0.93 0.42 0.23 0.00 0.00 176.35 177.56 1uxm s THR 39 N -2.17 4.35 0.27 5.49 -4.23 -1.26 -4.44 115.64 113.65 1uxm s THR 39 Ca 0.43 1.57 -0.31 0.00 -1.18 0.00 0.00 61.69 62.20 1uxm s THR 39 Cb -0.09 -3.75 -0.12 0.00 1.34 0.00 0.00 72.50 69.88 1uxm s THR 39 CO 0.30 -0.13 1.57 1.21 -0.54 0.00 0.00 174.62 177.03 1uxm n GLU 40 N -0.16 2.55 0.00 3.99 2.13 -1.26 -4.52 120.64 123.36 1uxm n GLU 40 Ca 0.05 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1uxm n GLU 40 Cb 0.52 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.56 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 2.38 0.40 3.79 8.31 0.00 -0.43 -4.90 105.19 114.73 1uxm n GLY 41 Ca 0.10 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 4.43 -0.03 0.99 1.43 -1.26 -0.52 118.68 123.72 1uxm s LEU 42 Ca 0.00 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1uxm s LEU 42 Cb 0.00 -2.77 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1uxm s LEU 42 CO 0.00 0.19 -0.04 -1.00 0.23 0.00 0.00 176.35 175.72 1uxm s HIS 43 N -0.49 0.60 0.42 0.29 3.76 0.50 -3.47 115.29 116.90 1uxm s HIS 43 Ca 0.27 -0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.80 1uxm s HIS 43 Cb -0.17 -0.51 -0.10 0.00 1.11 0.00 0.00 32.58 32.91 1uxm s HIS 43 CO 0.15 -0.11 1.23 0.41 -0.85 0.00 0.00 174.74 175.56 1uxm n GLY 44 N 3.66 0.41 2.85 -2.22 0.00 -0.48 -1.16 105.19 108.27 1uxm n GLY 44 Ca -0.22 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.21 -0.70 0.05 1.61 5.36 -0.42 -0.71 117.98 121.96 1uxm s PHE 45 Ca 0.62 0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 56.93 1uxm s PHE 45 Cb -0.51 -0.20 -0.03 0.00 -0.34 0.00 0.00 43.02 41.94 1uxm s PHE 45 CO 0.57 -0.81 0.03 -1.01 -1.46 0.00 0.00 175.22 172.54 1uxm s HIS 46 N 2.47 0.37 -0.25 10.12 3.76 -0.83 -2.71 115.29 128.22 1uxm s HIS 46 Ca 0.10 -0.81 -0.15 0.00 -0.15 0.00 0.00 55.06 54.05 1uxm s HIS 46 Cb -0.14 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1uxm s HIS 46 CO -0.23 -0.37 0.39 0.08 -0.85 0.00 0.00 174.74 173.77 1uxm s VAL 47 N -3.27 5.17 0.32 -0.90 1.01 0.55 -0.36 120.40 122.91 1uxm s VAL 47 Ca 0.01 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1uxm s VAL 47 Cb 0.03 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1uxm s VAL 47 CO -0.08 0.18 0.51 -1.00 0.00 0.00 0.00 175.10 174.72 1uxm s HIS 48 N 1.83 3.49 0.12 5.22 3.76 0.26 -0.85 115.29 129.12 1uxm s HIS 48 Ca 0.17 0.33 -0.18 0.00 -0.15 0.00 0.00 55.06 55.23 1uxm s HIS 48 Cb -0.15 -1.87 -0.05 0.00 1.11 0.00 0.00 32.58 31.61 1uxm s HIS 48 CO 0.09 0.18 1.70 1.49 -0.85 0.00 0.00 174.74 177.36 1uxm h GLU 49 N 0.99 0.39 -5.90 1.40 4.81 -0.69 -2.72 114.58 112.87 1uxm h GLU 49 Ca -0.50 -0.05 -0.68 0.00 -0.13 0.00 0.00 59.36 58.01 1uxm h GLU 49 Cb 1.21 -0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.39 1uxm h GLU 49 CO 0.62 0.36 -0.59 -0.06 -0.73 0.00 0.00 179.01 178.61 1uxm s PHE 50 N -5.79 3.26 -0.38 0.92 0.08 -0.07 -4.63 117.98 111.36 1uxm s PHE 50 Ca -0.13 0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.14 1uxm s PHE 50 Cb 0.09 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.73 1uxm s PHE 50 CO 0.72 0.52 2.89 0.41 -0.10 0.00 0.00 175.22 179.66 1uxm n GLY 51 N 2.12 4.14 3.14 4.36 0.00 -1.08 -3.65 105.19 114.22 1uxm n GLY 51 Ca -0.19 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.72 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 0.60 4.79 -0.20 1.61 -1.08 -1.26 -4.96 116.67 116.17 1uxm s ASP 52 Ca 0.60 -1.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.40 1uxm s ASP 52 Cb 0.37 -1.67 0.71 0.00 -1.46 0.00 0.00 42.92 40.86 1uxm s ASP 52 CO -0.19 -0.26 1.62 -3.20 0.52 0.00 0.00 175.17 173.66 1uxm n ASN 53 N 4.56 4.98 -0.37 -0.34 4.05 -1.26 -3.09 115.26 123.79 1uxm n ASN 53 Ca -0.12 -2.90 0.01 0.00 0.45 0.00 0.00 54.58 52.02 1uxm n ASN 53 Cb 0.43 -0.62 0.16 0.00 1.23 0.00 0.00 39.78 40.98 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 3.23 1.12 -1.66 -0.44 1.35 -1.92 -2.94 112.91 111.65 1uxm h THR 54 Ca 0.00 -0.41 -0.61 0.00 -0.55 0.00 0.00 66.41 64.83 1uxm h THR 54 Cb 1.73 -0.19 -0.40 0.00 -1.73 0.00 0.00 68.15 67.56 1uxm h THR 54 CO 0.37 0.22 -0.49 0.00 -0.25 0.00 0.00 175.52 175.37 1uxm n ALA 55 N -2.37 5.21 -0.80 6.62 0.00 -1.26 -5.04 120.51 122.87 1uxm n ALA 55 Ca 0.14 -4.35 0.00 0.00 0.00 0.00 0.00 53.44 49.24 1uxm n ALA 55 Cb 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.46 0.68 0.24 0.00 0.00 -1.11 -3.31 105.19 101.23 1uxm n GLY 56 Ca 0.40 -0.75 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 1.01 0.00 0.00 2.02 -1.91 -1.60 112.91 112.43 1uxm h THR 58 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1uxm h THR 58 Cb 0.39 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1uxm h THR 58 CO 0.02 0.10 0.00 -1.54 0.37 0.00 0.00 175.52 174.47 1uxm n SER 59 N -4.47 0.00 0.04 4.18 3.41 -1.11 -2.99 113.62 112.67 1uxm n SER 59 Ca 0.07 -0.49 0.10 0.00 -0.26 0.00 0.00 58.87 58.30 1uxm n SER 59 Cb 0.21 -0.10 0.44 0.00 -0.26 0.00 0.00 64.21 64.50 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 1.91 -0.22 7.33 0.00 -0.60 -4.44 120.51 123.38 1uxm n ALA 60 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1uxm n ALA 60 Cb 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 0.54 -0.69 0.00 0.00 0.00 -1.16 -0.90 105.19 102.99 1uxm n GLY 61 Ca 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 1.24 -2.27 1.61 -0.04 -1.26 -4.65 135.00 129.63 1uxm n PRO 62 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 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 0.60 3.28 -0.12 0.54 3.76 -1.26 -0.43 115.29 121.67 1uxm s HIS 63 Ca 0.00 1.52 -0.33 0.00 -0.15 0.00 0.00 55.06 56.10 1uxm s HIS 63 Cb 0.00 -3.51 -0.11 0.00 1.11 0.00 0.00 32.58 30.07 1uxm s HIS 63 CO 0.00 -1.32 1.97 0.34 -0.85 0.00 0.00 174.74 174.88 1uxm n PHE 64 N 1.10 2.24 -3.04 1.40 7.35 -0.03 -4.43 117.46 122.06 1uxm n PHE 64 Ca -0.00 -0.05 -0.17 0.00 -0.76 0.00 0.00 57.45 56.48 1uxm n PHE 64 Cb 0.43 -2.68 -0.01 0.00 0.35 0.00 0.00 39.48 37.57 1uxm n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1uxm n ASN 65 N 7.71 -0.59 0.00 -2.13 5.15 -1.26 -0.93 115.26 123.21 1uxm n ASN 65 Ca 0.25 -3.07 0.09 0.00 -0.60 0.00 0.00 54.58 51.25 1uxm n ASN 65 Cb 0.32 0.24 0.43 0.00 -0.53 0.00 0.00 39.78 40.24 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 0.92 0.14 -0.34 1.20 -0.04 -1.26 -2.04 135.00 133.57 1uxm n PRO 66 Ca 0.18 0.15 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1uxm n PRO 66 Cb 0.62 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.39 3.60 -3.53 1.53 4.77 -1.26 -5.01 117.00 115.71 1uxm n LEU 67 Ca 0.07 -2.36 -0.20 0.00 -0.03 0.00 0.00 56.01 53.49 1uxm n LEU 67 Cb 0.18 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1uxm n LEU 67 CO 0.16 0.75 -0.10 -1.20 -1.33 0.00 0.00 177.39 175.66 1uxm n SER 68 N 0.42 -5.80 -4.51 -1.43 7.64 -0.87 -5.00 113.62 104.07 1uxm n SER 68 Ca 0.18 -0.55 -0.31 0.00 1.01 0.00 0.00 58.87 59.19 1uxm n SER 68 Cb 0.65 -2.72 -0.07 0.00 -1.01 0.00 0.00 64.21 61.07 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 -1.93 0.73 -3.17 1.43 5.12 -1.26 -5.15 116.66 112.43 1uxm n ARG 69 Ca -0.19 -3.66 -0.22 0.00 -1.93 0.00 0.00 57.85 51.85 1uxm n ARG 69 Cb 0.64 1.19 0.01 0.00 -1.16 0.00 0.00 32.46 33.13 1uxm n ARG 69 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1uxm s LYS 70 N -3.78 3.10 0.31 5.56 -2.85 -1.26 -4.81 119.74 116.00 1uxm s LYS 70 Ca 0.04 -0.65 -0.29 0.00 -1.00 0.00 0.00 55.97 54.08 1uxm s LYS 70 Cb 0.00 -2.65 -0.10 0.00 -2.06 0.00 0.00 37.83 33.03 1uxm s LYS 70 CO 0.03 -0.14 1.16 -1.58 0.10 0.00 0.00 175.35 174.92 1uxm s HIS 71 N -2.42 3.40 0.00 1.78 5.65 -0.67 -3.23 115.29 119.79 1uxm s HIS 71 Ca 0.47 1.61 0.00 0.00 0.25 0.00 0.00 55.06 57.39 1uxm s HIS 71 Cb -0.10 -3.39 0.00 0.00 -1.18 0.00 0.00 32.58 27.91 1uxm s HIS 71 CO 0.36 -0.94 0.00 0.41 -0.65 0.00 0.00 174.74 173.91 1uxm n GLY 72 N 1.02 2.86 3.97 1.59 0.00 -1.24 -4.31 105.19 109.08 1uxm n GLY 72 Ca -0.00 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.88 1.80 0.49 -0.02 0.00 -1.25 -4.74 107.32 102.72 1uxm s GLY 73 Ca 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 44.72 43.58 1uxm s GLY 73 CO 0.00 -1.04 2.07 -0.56 0.00 0.00 0.00 173.10 173.57 1uxm h PRO 74 N 0.13 0.00 0.00 2.90 0.13 -1.85 -2.26 132.00 131.06 1uxm h PRO 74 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.52 0.10 -0.20 1.63 -0.23 0.00 0.00 178.00 179.83 1uxm n LYS 75 N -4.31 0.25 -2.25 0.86 4.76 -1.26 -4.93 118.16 111.28 1uxm n LYS 75 Ca -0.03 0.16 -0.34 0.00 -2.87 0.00 0.00 58.31 55.23 1uxm n LYS 75 Cb 0.18 -1.75 -0.00 0.00 -1.84 0.00 0.00 35.03 31.62 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 -4.32 5.79 0.27 4.39 1.01 -0.85 -4.96 116.67 117.99 1uxm s ASP 76 Ca 0.09 2.08 0.11 0.00 0.71 0.00 0.00 52.55 55.55 1uxm s ASP 76 Cb 0.13 -2.57 0.31 0.00 1.01 0.00 0.00 42.92 41.80 1uxm s ASP 76 CO 0.63 -1.17 1.57 -0.08 0.21 0.00 0.00 175.17 176.34 1uxm h GLU 77 N 1.09 0.00 -4.76 8.23 4.81 -1.92 -3.40 114.58 118.63 1uxm h GLU 77 Ca -0.49 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.06 1uxm h GLU 77 Cb 1.25 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 30.39 1uxm h GLU 77 CO 0.57 0.63 -0.57 -2.00 -0.73 0.00 0.00 179.01 176.92 1uxm s GLU 78 N -3.44 3.20 -0.10 1.92 2.56 -1.26 -5.05 118.70 116.53 1uxm s GLU 78 Ca -0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 54.97 53.85 1uxm s GLU 78 Cb 0.12 -3.54 0.12 0.00 2.00 0.00 0.00 34.13 32.83 1uxm s GLU 78 CO 0.76 -0.46 1.03 -0.98 -0.56 0.00 0.00 175.26 175.04 1uxm s ARG 79 N 1.58 0.59 0.49 4.30 1.04 -1.20 -3.67 118.95 122.08 1uxm s ARG 79 Ca 0.04 -0.17 -0.20 0.00 -1.04 0.00 0.00 55.73 54.36 1uxm s ARG 79 Cb -0.17 0.27 -0.08 0.00 -2.04 0.00 0.00 34.95 32.93 1uxm s ARG 79 CO 0.05 -0.25 1.06 -1.01 -0.04 0.00 0.00 175.30 175.11 1uxm s HIS 80 N -2.54 2.95 0.31 5.89 3.76 -1.21 -4.78 115.29 119.67 1uxm s HIS 80 Ca 0.06 1.57 0.05 0.00 -0.15 0.00 0.00 55.06 56.60 1uxm s HIS 80 Cb -0.01 -3.12 0.70 0.00 1.11 0.00 0.00 32.58 31.27 1uxm s HIS 80 CO -0.06 -0.97 1.82 0.28 -0.85 0.00 0.00 174.74 174.97 1uxm h VAL 81 N 1.53 0.81 0.00 -0.90 2.07 -1.86 -2.09 116.25 115.82 1uxm h VAL 81 Ca -0.50 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1uxm h VAL 81 Cb 1.23 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1uxm h VAL 81 CO 0.59 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.94 1uxm n GLY 82 N -1.37 -0.76 3.55 2.17 0.00 -0.11 -4.41 105.19 104.26 1uxm n GLY 82 Ca 0.20 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.23 6.35 0.00 1.61 1.01 -0.79 -0.33 116.67 122.28 1uxm s ASP 83 Ca 0.26 -1.00 0.21 0.00 0.71 0.00 0.00 52.55 52.72 1uxm s ASP 83 Cb 0.14 -2.56 0.57 0.00 1.01 0.00 0.00 42.92 42.08 1uxm s ASP 83 CO 0.26 -1.65 1.48 0.18 0.21 0.00 0.00 175.17 175.65 1uxm n LEU 84 N 9.08 3.75 0.00 1.23 4.77 -1.10 -3.34 117.00 131.39 1uxm n LEU 84 Ca 0.19 -1.96 0.00 0.00 -0.03 0.00 0.00 56.01 54.21 1uxm n LEU 84 Cb 0.50 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1uxm n LEU 84 CO 0.68 0.93 0.00 0.61 -1.33 0.00 0.00 177.39 178.28 1uxm n GLY 85 N 1.45 0.49 3.39 -0.72 0.00 -1.20 -4.76 105.19 103.84 1uxm n GLY 85 Ca 0.22 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 3.07 0.17 1.61 0.01 -1.26 -1.30 114.94 113.24 1uxm s ASN 86 Ca 0.00 -0.90 0.09 0.00 -0.71 0.00 0.00 52.86 51.34 1uxm s ASN 86 Cb 0.00 -0.21 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 1uxm s ASN 86 CO 0.00 0.02 -0.20 0.68 -1.51 0.00 0.00 177.10 176.09 1uxm s VAL 87 N -2.07 1.95 -0.18 1.60 -7.23 -0.30 -4.89 120.40 109.27 1uxm s VAL 87 Ca 0.20 -1.94 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1uxm s VAL 87 Cb -0.06 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 1uxm s VAL 87 CO 0.09 -0.26 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.60 1uxm s THR 88 N -1.95 2.84 -0.07 5.32 2.01 -1.26 -0.37 115.64 122.16 1uxm s THR 88 Ca 0.17 -0.69 -0.18 0.00 0.31 0.00 0.00 61.69 61.29 1uxm s THR 88 Cb -0.06 -2.23 -0.05 0.00 0.01 0.00 0.00 72.50 70.17 1uxm s THR 88 CO 0.07 0.49 0.49 0.00 -0.69 0.00 0.00 174.62 174.98 1uxm s ALA 89 N 1.07 3.52 1.18 7.40 0.00 0.32 -4.09 121.76 131.16 1uxm s ALA 89 Ca -0.00 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 1uxm s ALA 89 Cb -0.15 -2.62 0.20 0.00 0.00 0.00 0.00 23.12 20.56 1uxm s ALA 89 CO -0.03 0.13 0.66 -0.40 0.00 0.00 0.00 175.76 176.12 1uxm n ASP 90 N 3.10 -1.97 -0.07 0.00 5.68 0.14 -1.31 116.55 122.12 1uxm n ASP 90 Ca -0.08 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.35 1uxm n ASP 90 Cb 0.52 -0.63 0.29 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.68 0.00 0.11 5.09 -1.98 0.65 116.57 121.12 1uxm h LYS 91 Ca -0.26 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.38 1uxm h LYS 91 Cb 0.79 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.00 1uxm h LYS 91 CO 0.17 0.57 0.00 -0.44 -2.09 0.00 0.00 179.45 177.66 1uxm h ASP 92 N 0.67 0.00 0.00 7.07 3.32 -1.96 -3.45 116.42 122.07 1uxm h ASP 92 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 1uxm h ASP 92 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1uxm h ASP 92 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 1uxm n GLY 93 N -0.80 0.88 3.26 2.75 0.00 0.22 -4.79 105.19 106.71 1uxm n GLY 93 Ca -0.00 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 2.60 -0.38 1.61 1.01 -1.25 -2.55 120.40 119.43 1uxm s VAL 94 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1uxm s VAL 94 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1uxm s VAL 94 CO 0.00 0.52 0.26 0.00 0.00 0.00 0.00 175.10 175.88 1uxm s ALA 95 N 0.76 3.44 -1.15 5.51 0.00 -0.07 0.25 121.76 130.50 1uxm s ALA 95 Ca -0.06 -1.63 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 1uxm s ALA 95 Cb -0.15 -2.77 0.11 0.00 0.00 0.00 0.00 23.12 20.31 1uxm s ALA 95 CO 0.01 -1.31 1.47 -0.51 0.00 0.00 0.00 175.76 175.42 1uxm s ASP 96 N 1.66 6.83 0.26 0.00 1.11 -1.26 -1.54 116.67 123.74 1uxm s ASP 96 Ca 0.05 -2.41 -0.30 0.00 0.18 0.00 0.00 52.55 50.07 1uxm s ASP 96 Cb -0.19 -2.48 -0.11 0.00 1.07 0.00 0.00 42.92 41.22 1uxm s ASP 96 CO 0.09 -1.06 1.52 -0.69 1.18 0.00 0.00 175.17 176.22 1uxm s VAL 97 N 3.13 2.38 -0.27 -1.27 1.01 -0.17 -4.88 120.40 120.33 1uxm s VAL 97 Ca 0.45 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1uxm s VAL 97 Cb -0.01 -3.20 0.15 0.00 0.00 0.00 0.00 36.38 33.32 1uxm s VAL 97 CO -0.01 0.05 0.49 -0.55 0.00 0.00 0.00 175.10 175.08 1uxm s SER 98 N 0.48 -0.58 -0.00 3.32 0.15 -1.25 -2.02 113.70 113.80 1uxm s SER 98 Ca 0.62 0.69 -0.10 0.00 0.70 0.00 0.00 55.95 57.86 1uxm s SER 98 Cb -0.45 1.66 0.01 0.00 -1.71 0.00 0.00 66.02 65.53 1uxm s SER 98 CO 0.44 -0.27 0.21 -0.63 1.20 0.00 0.00 173.24 174.20 1uxm s ILE 99 N 2.71 0.08 -0.06 6.45 1.01 0.14 -4.99 121.20 126.54 1uxm s ILE 99 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.18 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 -0.34 -0.11 -0.70 0.00 0.00 0.00 174.94 173.61 1uxm s GLU 100 N -1.46 1.50 -0.06 2.79 2.12 -1.26 0.79 118.70 123.12 1uxm s GLU 100 Ca -0.14 -0.37 -0.04 0.00 0.36 0.00 0.00 54.97 54.78 1uxm s GLU 100 Cb -0.06 -1.28 0.02 0.00 0.26 0.00 0.00 34.13 33.07 1uxm s GLU 100 CO 0.02 0.04 0.14 0.34 -0.54 0.00 0.00 175.26 175.26 1uxm s ASP 101 N 0.59 -0.13 -0.09 -1.70 2.15 -0.59 -4.97 116.67 111.93 1uxm s ASP 101 Ca -0.12 0.29 0.13 0.00 0.43 0.00 0.00 52.55 53.28 1uxm s ASP 101 Cb -0.14 0.24 0.35 0.00 -0.30 0.00 0.00 42.92 43.06 1uxm s ASP 101 CO 0.03 -0.09 1.27 -1.20 -0.17 0.00 0.00 175.17 175.00 1uxm n SER 102 N 3.56 3.09 -0.11 -0.34 7.64 -1.26 -1.04 113.62 125.15 1uxm n SER 102 Ca -0.19 -2.56 -0.25 0.00 1.01 0.00 0.00 58.87 56.88 1uxm n SER 102 Cb 0.56 -0.35 -0.11 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.32 1.55 -1.02 0.44 0.31 -1.26 -4.92 118.33 113.11 1uxm n VAL 103 Ca 0.14 -0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 63.95 1uxm n VAL 103 Cb 0.62 -1.94 0.13 0.00 -0.91 0.00 0.00 33.84 31.73 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 -2.43 2.67 0.16 2.52 -4.36 -1.26 -4.81 121.20 113.69 1uxm s ILE 104 Ca -0.32 0.23 -0.07 0.00 -0.26 0.00 0.00 60.65 60.22 1uxm s ILE 104 Cb 0.09 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 1uxm s ILE 104 CO 0.56 -0.28 0.23 -0.55 0.24 0.00 0.00 174.94 175.15 1uxm s SER 105 N -2.96 0.11 -0.05 4.36 0.15 -0.56 -4.69 113.70 110.05 1uxm s SER 105 Ca 0.65 -0.98 0.19 0.00 0.70 0.00 0.00 55.95 56.51 1uxm s SER 105 Cb -0.21 0.40 0.63 0.00 -1.71 0.00 0.00 66.02 65.14 1uxm s SER 105 CO 0.56 -0.86 1.54 0.18 1.20 0.00 0.00 173.24 175.85 1uxm n LEU 106 N -0.19 4.15 0.00 3.45 4.77 -1.26 -1.25 117.00 126.66 1uxm n LEU 106 Ca -0.06 -2.22 -0.08 0.00 -0.03 0.00 0.00 56.01 53.62 1uxm n LEU 106 Cb 0.63 -0.49 0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1uxm n LEU 106 CO 0.26 0.87 0.49 -1.54 -1.33 0.00 0.00 177.39 176.15 1uxm n SER 107 N 1.20 -2.02 -0.54 -1.43 3.41 -1.26 -1.78 113.62 111.20 1uxm n SER 107 Ca 0.23 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.46 1uxm n SER 107 Cb 0.72 3.36 0.00 0.00 -0.26 0.00 0.00 64.21 68.03 1uxm n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uxm n GLY 108 N -0.49 -1.02 0.27 5.00 0.00 -1.26 -3.31 105.19 104.38 1uxm n GLY 108 Ca -0.08 -1.11 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 -0.54 1.61 3.32 -2.00 -2.38 116.42 116.42 1uxm h ASP 109 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uxm h ASP 109 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1uxm h ASP 109 CO 0.00 0.05 0.00 1.41 -1.72 0.00 0.00 179.24 178.98 1uxm n HIS 110 N -4.11 1.95 -1.73 4.55 8.25 -1.26 -4.97 115.22 117.91 1uxm n HIS 110 Ca -0.03 -0.68 -0.42 0.00 -0.26 0.00 0.00 57.72 56.33 1uxm n HIS 110 Cb 0.14 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 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 2.51 0.00 -1.71 0.00 -5.35 -0.38 -4.90 119.36 109.53 1uxm n ILE 112 Ca 0.10 -0.48 -0.43 0.00 -0.27 0.00 0.00 62.75 61.67 1uxm n ILE 112 Cb 0.36 1.22 -0.03 0.00 -1.74 0.00 0.00 39.64 39.45 1uxm n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1uxm n ILE 113 N 0.52 0.48 -0.76 7.28 5.41 -1.26 -1.38 119.36 129.63 1uxm n ILE 113 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.69 1uxm n ILE 113 Cb 0.28 -1.81 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 1uxm n ILE 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uxm n GLY 114 N 3.00 0.82 0.00 7.39 0.00 0.50 -4.98 105.19 111.92 1uxm n GLY 114 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.18 1.38 -5.17 1.61 1.74 -0.48 -2.64 116.66 110.91 1uxm n ARG 115 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1uxm n ARG 115 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 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 0.88 2.23 -0.17 0.55 2.01 -1.02 -0.62 115.64 119.50 1uxm s THR 116 Ca 0.00 -0.98 -0.08 0.00 0.31 0.00 0.00 61.69 60.93 1uxm s THR 116 Cb 0.00 -1.84 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 1uxm s THR 116 CO 0.00 0.56 0.12 -0.22 -0.69 0.00 0.00 174.62 174.39 1uxm s LEU 117 N 0.05 4.20 -0.03 4.42 2.96 -0.62 0.91 118.68 130.57 1uxm s LEU 117 Ca -0.09 0.29 0.05 0.00 -0.22 0.00 0.00 54.13 54.15 1uxm s LEU 117 Cb -0.15 -2.06 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 1uxm s LEU 117 CO 0.06 0.26 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.50 1uxm s VAL 118 N -0.14 1.33 -0.15 1.68 1.01 0.51 -2.18 120.40 122.46 1uxm s VAL 118 Ca 0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 1uxm s VAL 118 Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1uxm s VAL 118 CO 0.00 0.38 -0.02 0.54 0.00 0.00 0.00 175.10 176.01 1uxm s VAL 119 N -0.14 4.08 0.35 2.92 0.11 -0.43 -1.96 120.40 125.34 1uxm s VAL 119 Ca 0.01 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.81 1uxm s VAL 119 Cb -0.09 -2.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.96 1uxm s VAL 119 CO 0.01 0.50 0.51 -1.00 -3.33 0.00 0.00 175.10 171.78 1uxm s HIS 120 N 0.26 3.16 0.09 1.54 3.76 0.12 -0.87 115.29 123.35 1uxm s HIS 120 Ca -0.02 -0.10 -0.16 0.00 -0.15 0.00 0.00 55.06 54.63 1uxm s HIS 120 Cb -0.14 -2.04 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 1uxm s HIS 120 CO 0.02 -0.06 1.46 1.49 -0.85 0.00 0.00 174.74 176.80 1uxm h GLU 121 N 0.80 0.60 0.00 1.40 4.81 -0.66 -3.38 114.58 118.14 1uxm h GLU 121 Ca -0.46 -0.26 -0.34 0.00 -0.13 0.00 0.00 59.36 58.16 1uxm h GLU 121 Cb 1.25 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 1uxm h GLU 121 CO 0.54 0.84 -0.24 1.63 -0.73 0.00 0.00 179.01 181.05 1uxm n LYS 122 N -4.42 1.33 -2.73 1.92 5.02 0.60 -4.90 118.16 114.98 1uxm n LYS 122 Ca -0.03 -1.92 -0.34 0.00 -2.02 0.00 0.00 58.31 54.00 1uxm n LYS 122 Cb 0.37 0.48 -0.06 0.00 -0.02 0.00 0.00 35.03 35.80 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 -2.45 3.02 -0.18 7.82 0.00 -1.23 -1.38 121.76 127.37 1uxm s ALA 123 Ca 0.02 0.48 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 1uxm s ALA 123 Cb -0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 1uxm s ALA 123 CO 0.01 0.01 1.10 0.34 0.00 0.00 0.00 175.76 177.22 1uxm s ASP 124 N -2.03 7.08 0.00 0.00 -1.08 -1.26 -3.75 116.67 115.63 1uxm s ASP 124 Ca 0.62 1.51 0.16 0.00 -0.52 0.00 0.00 52.55 54.31 1uxm s ASP 124 Cb -0.13 -2.54 0.73 0.00 -1.46 0.00 0.00 42.92 39.52 1uxm s ASP 124 CO 0.17 -0.65 1.50 -0.90 0.52 0.00 0.00 175.17 175.80 1uxm n ASP 125 N 6.11 0.76 -2.70 -0.34 5.68 0.75 -4.90 116.55 121.91 1uxm n ASP 125 Ca 0.12 -1.67 -0.20 0.00 -0.50 0.00 0.00 54.79 52.54 1uxm n ASP 125 Cb 0.46 -0.06 0.01 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 -0.23 -2.00 0.00 -2.12 4.77 -1.26 -2.13 117.00 114.03 1uxm n LEU 126 Ca 0.12 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1uxm n LEU 126 Cb 0.17 -2.73 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 1uxm n LEU 126 CO 0.09 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1uxm n GLY 127 N -1.16 0.59 0.90 -0.72 0.00 -1.25 -3.91 105.19 99.65 1uxm n GLY 127 Ca -0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.81 3.05 0.00 1.61 5.02 -0.90 -4.63 118.16 119.49 1uxm n LYS 128 Ca 0.00 -2.51 0.14 0.00 -2.02 0.00 0.00 58.31 53.92 1uxm n LYS 128 Cb 0.00 -1.60 0.67 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.21 -1.30 2.33 0.72 0.00 -1.26 -4.93 105.19 100.96 1uxm n GLY 129 Ca 0.18 -0.12 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 1.19 1.18 3.09 -0.02 0.00 -1.26 -4.96 105.19 104.40 1uxm n GLY 130 Ca 0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.86 0.78 0.30 1.61 2.20 -1.26 -5.05 114.94 110.67 1uxm s ASN 131 Ca 0.00 -0.78 0.04 0.00 -0.94 0.00 0.00 52.86 51.19 1uxm s ASN 131 Cb 0.00 0.10 0.68 0.00 -2.00 0.00 0.00 41.25 40.03 1uxm s ASN 131 CO 0.00 -0.38 1.79 -0.08 -2.94 0.00 0.00 177.10 175.49 1uxm h GLU 132 N 3.77 0.79 -0.67 3.55 4.81 -2.01 -0.16 114.58 124.67 1uxm h GLU 132 Ca -0.35 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1uxm h GLU 132 Cb 1.18 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1uxm h GLU 132 CO 0.53 0.52 0.43 1.49 -0.73 0.00 0.00 179.01 181.26 1uxm h GLU 133 N 0.82 0.85 -0.96 1.92 4.57 -1.99 -1.44 114.58 118.34 1uxm h GLU 133 Ca 0.56 -0.05 0.22 0.00 -1.18 0.00 0.00 59.36 58.90 1uxm h GLU 133 Cb 0.79 -0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.11 1uxm h GLU 133 CO -0.35 0.56 0.63 1.03 -1.18 0.00 0.00 179.01 179.69 1uxm h SER 134 N 0.88 0.48 0.98 1.04 0.87 -1.36 1.02 113.55 117.46 1uxm h SER 134 Ca 0.25 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1uxm h SER 134 Cb -0.06 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1uxm h SER 134 CO -0.07 0.16 0.00 0.35 -0.53 0.00 0.00 176.83 176.74 1uxm n THR 135 N -4.58 0.44 -0.08 2.23 -2.24 -0.56 -1.76 114.28 107.73 1uxm n THR 135 Ca 0.22 0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1uxm n THR 135 Cb 0.73 -0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.77 0.44 0.00 -0.78 5.02 0.33 -1.68 118.16 119.73 1uxm n LYS 136 Ca 0.05 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.53 1uxm n LYS 136 Cb 0.31 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 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 -4.22 0.00 -1.18 -0.18 -2.24 0.21 -4.67 114.28 102.00 1uxm n THR 137 Ca -0.19 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.03 1uxm n THR 137 Cb 0.52 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 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 0.30 0.85 2.48 3.38 0.00 -0.73 -2.90 105.19 108.58 1uxm n GLY 138 Ca 0.01 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 0.52 -5.63 0.00 1.61 3.02 -1.26 -0.18 115.26 113.34 1uxm n ASN 139 Ca -0.06 0.24 0.09 0.00 -0.03 0.00 0.00 54.58 54.82 1uxm n ASN 139 Cb 0.24 -4.82 0.50 0.00 -0.61 0.00 0.00 39.78 35.09 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 -0.41 2.05 0.00 5.41 0.00 -1.14 -4.72 120.51 121.70 1uxm n ALA 140 Ca -0.23 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1uxm n ALA 140 Cb 0.68 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 0.31 -0.12 3.76 0.00 0.00 -1.26 -0.29 105.19 107.58 1uxm n GLY 141 Ca 0.10 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1uxm n GLY 141 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uxm s SER 142 N -4.00 5.91 -0.55 1.61 0.15 -1.26 -4.67 113.70 110.89 1uxm s SER 142 Ca 0.00 2.68 -0.23 0.00 0.70 0.00 0.00 55.95 59.10 1uxm s SER 142 Cb 0.00 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1uxm s SER 142 CO 0.00 -1.13 0.88 -0.13 1.20 0.00 0.00 173.24 174.07 1uxm s ARG 143 N -2.55 3.27 0.09 5.44 0.52 -1.26 -0.59 118.95 123.87 1uxm s ARG 143 Ca 0.63 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 55.42 1uxm s ARG 143 Cb -0.38 -4.08 -0.25 0.00 0.52 0.00 0.00 34.95 30.76 1uxm s ARG 143 CO 0.48 -1.47 1.17 -0.07 0.02 0.00 0.00 175.30 175.43 1uxm h LEU 144 N 10.77 0.21 -7.00 2.53 3.38 -1.30 -3.47 115.31 120.43 1uxm h LEU 144 Ca -0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1uxm h LEU 144 Cb 1.08 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.59 1uxm h LEU 144 CO 1.07 1.19 0.24 0.00 0.09 0.00 0.00 178.44 181.03 1uxm s ALA 145 N -2.68 -1.73 0.23 1.53 0.00 -1.14 -4.08 121.76 113.89 1uxm s ALA 145 Ca -0.02 1.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1uxm s ALA 145 Cb 0.08 0.24 0.01 0.00 0.00 0.00 0.00 23.12 23.45 1uxm s ALA 145 CO 0.85 -0.50 0.55 0.00 0.00 0.00 0.00 175.76 176.66 1uxm s GLY 147 N -2.93 -0.54 0.12 0.00 0.00 -0.92 -1.70 107.32 101.34 1uxm s GLY 147 Ca 0.14 0.73 -0.26 0.00 0.00 0.00 0.00 44.72 45.34 1uxm s GLY 147 CO 0.03 0.24 0.79 0.14 0.00 0.00 0.00 173.10 174.31 1uxm s VAL 148 N -3.45 4.51 -0.29 1.40 1.01 -1.26 -1.60 120.40 120.72 1uxm s VAL 148 Ca 0.03 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 63.45 1uxm s VAL 148 Cb -0.01 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.23 1uxm s VAL 148 CO -0.11 0.45 1.04 -0.63 0.00 0.00 0.00 175.10 175.84 1uxm s ILE 149 N -0.64 4.59 0.25 2.22 1.01 0.21 -4.47 121.20 124.37 1uxm s ILE 149 Ca 0.38 1.77 0.08 0.00 0.00 0.00 0.00 60.65 62.88 1uxm s ILE 149 Cb -0.22 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 1uxm s ILE 149 CO 0.25 -0.36 -0.11 -0.83 0.00 0.00 0.00 174.94 173.89 1uxm s GLY 150 N 1.51 1.70 0.16 6.18 0.00 0.80 -0.37 107.32 117.30 1uxm s GLY 150 Ca 0.44 -1.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 1uxm s GLY 150 CO 0.12 -1.84 1.26 -0.42 0.00 0.00 0.00 173.10 172.23 1uxm s ILE 151 N -2.91 3.48 0.31 0.90 1.01 -1.26 -0.11 121.20 122.61 1uxm s ILE 151 Ca 0.27 1.18 0.09 0.00 0.00 0.00 0.00 60.65 62.19 1uxm s ILE 151 Cb 0.01 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1uxm s ILE 151 CO 0.11 0.16 0.09 0.00 0.00 0.00 0.00 174.94 175.30 1uxm s ALA 152 N 0.30 3.38 -2.00 9.38 0.00 -0.39 -4.75 121.76 127.68 1uxm s ALA 152 Ca 0.56 -1.73 0.20 0.00 0.00 0.00 0.00 51.96 50.99 1uxm s ALA 152 Cb -0.34 -0.79 1.18 0.00 0.00 0.00 0.00 23.12 23.17 1uxm s ALA 152 CO 0.35 0.14 1.57 0.94 0.00 0.00 0.00 175.76 178.76