#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uxm n THR 2 N 0.00 1.12 -5.14 0.00 -1.04 -1.26 -4.75 114.28 103.21 1uxm n THR 2 Ca 0.00 -0.38 -0.30 0.00 -2.04 0.00 0.00 64.05 61.33 1uxm n THR 2 Cb 0.00 -1.38 -0.16 0.00 -1.82 0.00 0.00 70.33 66.97 1uxm n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1uxm s LYS 3 N -2.39 2.35 0.08 -2.82 2.20 -1.26 -1.69 119.74 116.21 1uxm s LYS 3 Ca -0.27 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.54 1uxm s LYS 3 Cb 0.08 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.38 1uxm s LYS 3 CO 0.42 0.33 -0.07 0.08 -0.36 0.00 0.00 175.35 175.75 1uxm s VAL 4 N -0.08 0.67 0.04 4.02 1.01 -0.29 -0.76 120.40 125.00 1uxm s VAL 4 Ca -0.04 -1.62 -0.06 0.00 0.00 0.00 0.00 61.98 60.26 1uxm s VAL 4 Cb -0.13 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1uxm s VAL 4 CO 0.03 -0.67 0.10 0.54 0.00 0.00 0.00 175.10 175.10 1uxm s VAL 5 N -2.74 0.13 -0.07 2.92 0.11 -0.16 -0.52 120.40 120.06 1uxm s VAL 5 Ca 0.04 -1.08 -0.03 0.00 -2.93 0.00 0.00 61.98 57.98 1uxm s VAL 5 Cb -0.01 -0.90 0.04 0.00 -1.53 0.00 0.00 36.38 33.98 1uxm s VAL 5 CO -0.03 -0.60 0.15 0.00 -3.33 0.00 0.00 175.10 171.30 1uxm s VAL 7 N 1.32 4.68 -0.12 0.00 1.01 -1.26 -1.48 120.40 124.54 1uxm s VAL 7 Ca -0.08 -0.35 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 1uxm s VAL 7 Cb -0.12 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1uxm s VAL 7 CO -0.06 0.09 0.63 -0.76 0.00 0.00 0.00 175.10 175.00 1uxm s LEU 8 N 1.63 4.25 0.06 3.92 1.02 0.64 -3.85 118.68 126.35 1uxm s LEU 8 Ca 0.05 1.00 -0.07 0.00 0.02 0.00 0.00 54.13 55.12 1uxm s LEU 8 Cb -0.17 -2.94 -0.01 0.00 0.02 0.00 0.00 46.19 43.09 1uxm s LEU 8 CO 0.07 -0.15 0.15 -0.54 0.02 0.00 0.00 176.35 175.90 1uxm s LYS 9 N 1.14 0.73 0.00 1.70 1.02 0.40 -2.00 119.74 122.73 1uxm s LYS 9 Ca 0.32 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1uxm s LYS 9 Cb -0.16 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1uxm s LYS 9 CO 0.14 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1uxm n GLY 10 N 0.32 2.56 0.02 -3.33 0.00 -1.25 -0.44 105.19 103.06 1uxm n GLY 10 Ca -0.17 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.54 0.32 0.00 1.61 8.00 -1.26 -4.88 116.55 119.80 1uxm n ASP 11 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1uxm n ASP 11 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 1.46 4.86 0.34 0.44 0.00 -1.26 -5.02 105.19 106.01 1uxm n GLY 12 Ca 0.06 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.29 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 1.47 -2.40 1.61 -0.04 -1.26 -4.87 135.00 129.51 1uxm n PRO 13 Ca 0.00 -0.69 -0.43 0.00 -0.04 0.00 0.00 63.50 62.35 1uxm n PRO 13 Cb 0.00 -1.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 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 -1.95 4.21 0.02 0.52 1.01 -1.26 -4.27 120.40 118.67 1uxm s VAL 14 Ca 0.38 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.69 1uxm s VAL 14 Cb 0.20 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.60 1uxm s VAL 14 CO 0.31 -0.19 0.24 0.00 0.00 0.00 0.00 175.10 175.47 1uxm s GLN 15 N 3.66 0.67 0.11 2.72 -2.07 -1.05 -3.75 119.66 119.95 1uxm s GLN 15 Ca 0.56 -0.41 -0.25 0.00 -1.82 0.00 0.00 55.36 53.44 1uxm s GLN 15 Cb -0.21 0.29 0.08 0.00 -1.09 0.00 0.00 33.01 32.07 1uxm s GLN 15 CO 0.17 -0.19 1.10 0.20 -1.32 0.00 0.00 175.29 175.25 1uxm s GLY 16 N -1.69 -0.10 -0.05 2.60 0.00 -0.85 -0.96 107.32 106.26 1uxm s GLY 16 Ca -0.10 0.02 0.01 0.00 0.00 0.00 0.00 44.72 44.65 1uxm s GLY 16 CO 0.00 1.82 -0.05 -0.42 0.00 0.00 0.00 173.10 174.46 1uxm s ILE 17 N -2.48 0.59 -0.08 0.90 1.01 -0.66 -0.26 121.20 120.22 1uxm s ILE 17 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1uxm s ILE 17 Cb -0.01 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1uxm s ILE 17 CO 0.02 0.25 -0.13 -0.63 0.00 0.00 0.00 174.94 174.44 1uxm s ILE 18 N 1.08 1.28 0.09 2.92 -1.09 -0.55 -1.90 121.20 123.03 1uxm s ILE 18 Ca -0.08 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.80 1uxm s ILE 18 Cb -0.14 -1.17 -0.04 0.00 -1.58 0.00 0.00 42.46 39.53 1uxm s ILE 18 CO -0.01 0.39 0.24 0.20 -1.23 0.00 0.00 174.94 174.54 1uxm s ASN 19 N 0.81 6.37 0.02 3.58 -0.87 0.13 -0.98 114.94 124.01 1uxm s ASN 19 Ca -0.11 0.28 0.04 0.00 -1.57 0.00 0.00 52.86 51.50 1uxm s ASN 19 Cb -0.15 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.25 39.10 1uxm s ASN 19 CO 0.02 0.13 -0.14 -0.36 -2.57 0.00 0.00 177.10 174.18 1uxm s PHE 20 N -1.58 1.19 -0.11 2.20 0.40 0.32 -1.56 117.98 118.84 1uxm s PHE 20 Ca 0.36 -0.30 -0.07 0.00 -0.60 0.00 0.00 56.93 56.31 1uxm s PHE 20 Cb -0.12 -0.73 0.04 0.00 0.51 0.00 0.00 43.02 42.71 1uxm s PHE 20 CO 0.28 0.01 0.26 -2.00 0.70 0.00 0.00 175.22 174.47 1uxm s GLU 21 N -0.82 0.25 -0.16 0.44 2.12 -0.13 -1.14 118.70 119.26 1uxm s GLU 21 Ca 0.03 0.49 -0.04 0.00 0.36 0.00 0.00 54.97 55.81 1uxm s GLU 21 Cb -0.07 -0.02 0.06 0.00 0.26 0.00 0.00 34.13 34.36 1uxm s GLU 21 CO 0.01 -0.12 0.07 -1.14 -0.54 0.00 0.00 175.26 173.53 1uxm s GLN 22 N 0.88 0.25 0.22 4.30 0.74 -0.68 -0.95 119.66 124.41 1uxm s GLN 22 Ca -0.06 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.26 1uxm s GLN 22 Cb -0.07 -1.76 0.19 0.00 1.10 0.00 0.00 33.01 32.47 1uxm s GLN 22 CO -0.06 -0.61 1.52 0.87 -0.55 0.00 0.00 175.29 176.45 1uxm h LYS 23 N 8.37 0.21 -4.85 1.67 1.57 -1.84 -3.41 116.57 118.28 1uxm h LYS 23 Ca -0.15 -0.16 -0.37 0.00 -1.87 0.00 0.00 60.65 58.09 1uxm h LYS 23 Cb 1.14 0.03 -0.25 0.00 0.08 0.00 0.00 32.23 33.23 1uxm h LYS 23 CO 0.29 0.81 -0.77 -1.21 -0.57 0.00 0.00 179.45 178.00 1uxm s GLU 24 N -3.60 0.71 -0.84 3.15 2.02 -1.26 -5.06 118.70 113.82 1uxm s GLU 24 Ca -0.03 -0.58 -0.25 0.00 0.02 0.00 0.00 54.97 54.12 1uxm s GLU 24 Cb 0.12 -0.65 -0.08 0.00 0.10 0.00 0.00 34.13 33.61 1uxm s GLU 24 CO 0.80 0.16 2.14 0.45 0.02 0.00 0.00 175.26 178.83 1uxm s SER 25 N -0.91 4.62 0.00 -0.19 0.15 -1.26 -0.50 113.70 115.61 1uxm s SER 25 Ca -0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1uxm s SER 25 Cb -0.07 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 1uxm s SER 25 CO 0.00 -3.20 0.00 -0.46 1.20 0.00 0.00 173.24 170.79 1uxm n ASN 26 N 15.88 0.00 -3.53 5.45 6.94 -1.26 -5.11 115.26 133.64 1uxm n ASN 26 Ca 0.42 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.68 1uxm n ASN 26 Cb 0.46 0.00 0.29 0.00 -2.36 0.00 0.00 39.78 38.16 1uxm n ASN 26 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1uxm s GLY 27 N -0.13 1.42 0.63 4.83 0.00 0.34 -4.97 107.32 109.44 1uxm s GLY 27 Ca 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 44.72 43.78 1uxm s GLY 27 CO 0.00 0.23 1.20 2.56 0.00 0.00 0.00 173.10 177.09 1uxm s PRO 28 N -5.02 2.77 -0.15 2.90 0.04 -1.26 -4.84 135.00 129.44 1uxm s PRO 28 Ca 0.69 1.79 -0.00 0.00 0.04 0.00 0.00 61.00 63.51 1uxm s PRO 28 Cb -0.14 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 1uxm s PRO 28 CO 0.58 -1.35 -0.13 0.08 0.04 0.00 0.00 177.00 176.22 1uxm s VAL 29 N -1.72 2.87 -0.09 -0.36 1.01 0.79 -4.42 120.40 118.47 1uxm s VAL 29 Ca 0.76 -0.71 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1uxm s VAL 29 Cb -0.30 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1uxm s VAL 29 CO 0.36 0.51 0.53 -0.54 0.00 0.00 0.00 175.10 175.96 1uxm s LYS 30 N 0.71 4.34 -0.14 2.72 1.02 -0.13 -0.92 119.74 127.34 1uxm s LYS 30 Ca -0.06 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.48 1uxm s LYS 30 Cb -0.15 -3.42 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1uxm s LYS 30 CO 0.02 0.18 -0.11 0.54 -0.92 0.00 0.00 175.35 175.06 1uxm s VAL 31 N 0.50 1.33 0.04 3.17 0.11 0.16 -0.96 120.40 124.76 1uxm s VAL 31 Ca 0.28 -0.51 -0.08 0.00 -2.93 0.00 0.00 61.98 58.74 1uxm s VAL 31 Cb -0.16 -1.31 -0.00 0.00 -1.53 0.00 0.00 36.38 33.38 1uxm s VAL 31 CO 0.12 0.39 0.16 -1.66 -3.33 0.00 0.00 175.10 170.79 1uxm s TRP 32 N 1.58 0.11 -5.00 1.54 -2.14 -0.60 0.42 118.94 114.84 1uxm s TRP 32 Ca 0.04 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.44 1uxm s TRP 32 Cb -0.13 -0.07 0.00 0.00 -3.10 0.00 0.00 33.47 30.17 1uxm s TRP 32 CO -0.09 -0.41 0.00 0.41 -2.66 0.00 0.00 176.95 174.20 1uxm n GLY 33 N 0.70 -0.29 3.17 3.67 0.00 -0.40 0.19 105.19 112.23 1uxm n GLY 33 Ca -0.19 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.13 -0.03 1.61 0.15 -0.80 -0.44 113.70 110.06 1uxm s SER 34 Ca 0.00 0.08 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1uxm s SER 34 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1uxm s SER 34 CO 0.00 -0.34 -0.10 -0.63 1.20 0.00 0.00 173.24 173.38 1uxm s ILE 35 N -1.01 0.85 0.41 6.45 1.01 -0.04 -1.65 121.20 127.21 1uxm s ILE 35 Ca -0.11 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1uxm s ILE 35 Cb -0.05 -0.76 -0.08 0.00 0.01 0.00 0.00 42.46 41.58 1uxm s ILE 35 CO 0.02 0.27 0.02 -1.59 0.00 0.00 0.00 174.94 173.66 1uxm s LYS 36 N 0.27 1.97 0.00 2.79 -2.85 -0.13 0.53 119.74 122.32 1uxm s LYS 36 Ca -0.05 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.85 1uxm s LYS 36 Cb -0.10 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.00 1uxm s LYS 36 CO 0.01 -0.04 0.00 0.41 0.10 0.00 0.00 175.35 175.83 1uxm n GLY 37 N -0.98 0.77 3.90 0.59 0.00 -0.48 -2.53 105.19 106.46 1uxm n GLY 37 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 4.23 0.45 0.99 1.43 -0.05 -4.45 118.68 121.27 1uxm s LEU 38 Ca 0.00 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 1uxm s LEU 38 Cb 0.00 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.81 1uxm s LEU 38 CO 0.00 -0.00 1.21 0.42 0.23 0.00 0.00 176.35 178.21 1uxm s THR 39 N -1.76 2.91 0.30 5.49 -4.23 -1.26 -3.85 115.64 113.23 1uxm s THR 39 Ca 0.41 0.72 -0.30 0.00 -1.18 0.00 0.00 61.69 61.34 1uxm s THR 39 Cb -0.12 -3.38 -0.12 0.00 1.34 0.00 0.00 72.50 70.22 1uxm s THR 39 CO 0.26 0.02 1.54 1.21 -0.54 0.00 0.00 174.62 177.11 1uxm n GLU 40 N -0.35 2.57 0.00 3.99 2.13 -1.26 -4.63 120.64 123.09 1uxm n GLU 40 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.80 1uxm n GLU 40 Cb 0.47 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.52 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 1.87 0.38 3.78 8.31 0.00 -0.37 -4.94 105.19 114.21 1uxm n GLY 41 Ca 0.08 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.43 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 4.58 -0.02 0.99 1.02 -1.26 -1.17 118.68 122.81 1uxm s LEU 42 Ca 0.00 1.68 0.01 0.00 0.02 0.00 0.00 54.13 55.83 1uxm s LEU 42 Cb 0.00 -3.37 0.02 0.00 0.02 0.00 0.00 46.19 42.85 1uxm s LEU 42 CO 0.00 0.19 -0.01 -1.00 0.02 0.00 0.00 176.35 175.54 1uxm s HIS 43 N -1.19 0.35 0.31 0.29 3.76 -0.23 -3.02 115.29 115.55 1uxm s HIS 43 Ca 0.37 -0.03 -0.29 0.00 -0.15 0.00 0.00 55.06 54.96 1uxm s HIS 43 Cb -0.23 -0.37 -0.13 0.00 1.11 0.00 0.00 32.58 32.96 1uxm s HIS 43 CO 0.27 -0.10 1.23 0.41 -0.85 0.00 0.00 174.74 175.69 1uxm n GLY 44 N 3.80 0.37 2.66 -2.22 0.00 0.05 -0.96 105.19 108.90 1uxm n GLY 44 Ca -0.23 0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.93 -0.05 0.04 1.61 5.36 -0.29 0.20 117.98 123.92 1uxm s PHE 45 Ca 0.58 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 1uxm s PHE 45 Cb -0.62 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.43 1uxm s PHE 45 CO 0.60 -0.71 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.59 1uxm s HIS 46 N 2.23 0.50 -0.27 10.12 3.76 -0.57 -2.87 115.29 128.20 1uxm s HIS 46 Ca 0.07 -0.66 -0.17 0.00 -0.15 0.00 0.00 55.06 54.15 1uxm s HIS 46 Cb -0.15 -0.33 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 1uxm s HIS 46 CO -0.22 -0.19 0.47 0.08 -0.85 0.00 0.00 174.74 174.03 1uxm s VAL 47 N -2.12 5.10 0.37 -0.90 1.01 0.28 -0.51 120.40 123.62 1uxm s VAL 47 Ca -0.07 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.69 1uxm s VAL 47 Cb -0.05 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1uxm s VAL 47 CO -0.03 0.09 0.56 -1.00 0.00 0.00 0.00 175.10 174.72 1uxm s HIS 48 N 2.24 3.36 0.11 5.22 3.76 0.19 -1.25 115.29 128.92 1uxm s HIS 48 Ca 0.19 0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.09 1uxm s HIS 48 Cb -0.16 -2.00 -0.10 0.00 1.11 0.00 0.00 32.58 31.44 1uxm s HIS 48 CO 0.10 -0.01 1.76 1.49 -0.85 0.00 0.00 174.74 177.22 1uxm h GLU 49 N 0.71 0.14 -5.87 1.40 4.81 -0.78 -2.84 114.58 112.15 1uxm h GLU 49 Ca -0.48 -0.01 -0.67 0.00 -0.13 0.00 0.00 59.36 58.07 1uxm h GLU 49 Cb 1.24 -0.03 -0.16 0.00 0.63 0.00 0.00 28.75 30.42 1uxm h GLU 49 CO 0.59 0.09 -0.63 -0.06 -0.73 0.00 0.00 179.01 178.27 1uxm s PHE 50 N -6.18 3.12 -0.52 0.92 0.08 -0.78 -4.65 117.98 109.96 1uxm s PHE 50 Ca -0.13 0.10 -0.05 0.00 0.12 0.00 0.00 56.93 56.97 1uxm s PHE 50 Cb 0.08 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.72 1uxm s PHE 50 CO 0.68 0.37 2.87 0.41 -0.10 0.00 0.00 175.22 179.45 1uxm n GLY 51 N 2.40 4.23 3.21 4.36 0.00 -0.92 -3.76 105.19 114.71 1uxm n GLY 51 Ca -0.18 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 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 0.67 4.43 -0.24 1.61 -1.08 -1.26 -4.95 116.67 115.85 1uxm s ASP 52 Ca 0.60 -0.91 0.12 0.00 -0.52 0.00 0.00 52.55 51.85 1uxm s ASP 52 Cb 0.34 -1.68 0.51 0.00 -1.46 0.00 0.00 42.92 40.63 1uxm s ASP 52 CO -0.17 -0.15 1.44 -3.20 0.52 0.00 0.00 175.17 173.62 1uxm n ASN 53 N 4.68 3.03 0.14 -0.34 2.85 -1.26 -3.05 115.26 121.30 1uxm n ASN 53 Ca -0.16 -3.45 0.06 0.00 -0.11 0.00 0.00 54.58 50.93 1uxm n ASN 53 Cb 0.47 -0.59 0.54 0.00 1.24 0.00 0.00 39.78 41.43 1uxm n ASN 53 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1uxm h THR 54 N 1.25 1.05 -1.47 -0.44 1.35 -1.93 -2.89 112.91 109.83 1uxm h THR 54 Ca 0.13 -0.13 -0.51 0.00 -0.55 0.00 0.00 66.41 65.36 1uxm h THR 54 Cb 1.56 0.81 -0.41 0.00 -1.73 0.00 0.00 68.15 68.38 1uxm h THR 54 CO 0.32 0.06 -0.91 0.00 -0.25 0.00 0.00 175.52 174.74 1uxm n ALA 55 N -2.51 4.26 -0.58 6.62 0.00 -1.26 -5.06 120.51 121.99 1uxm n ALA 55 Ca -0.00 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.52 1uxm n ALA 55 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.26 0.49 0.23 0.00 0.00 -1.09 -3.37 105.19 101.19 1uxm n GLY 56 Ca 0.27 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 0.92 0.00 0.00 2.02 -1.90 -1.81 112.91 112.14 1uxm h THR 58 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1uxm h THR 58 Cb 0.82 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1uxm h THR 58 CO 0.00 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.50 1uxm n SER 59 N -4.73 0.00 0.01 4.18 3.41 -1.14 -2.48 113.62 112.87 1uxm n SER 59 Ca 0.13 -0.35 0.07 0.00 -0.26 0.00 0.00 58.87 58.46 1uxm n SER 59 Cb 0.26 -0.13 0.32 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.13 1.66 -0.49 7.33 0.00 -0.68 -4.48 120.51 122.71 1uxm n ALA 60 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1uxm n ALA 60 Cb 0.11 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.02 -0.08 3.41 0.00 0.00 -1.03 -1.87 105.19 105.60 1uxm n GLY 61 Ca 0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.31 -2.01 1.61 -0.04 -1.26 -4.67 135.00 128.31 1uxm n PRO 62 Ca 0.00 -2.24 -0.38 0.00 -0.04 0.00 0.00 63.50 60.84 1uxm n PRO 62 Cb 0.00 -0.74 0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -2.92 2.62 -0.09 0.54 3.76 -1.26 -0.58 115.29 117.36 1uxm s HIS 63 Ca 0.60 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.66 1uxm s HIS 63 Cb -0.03 -3.63 -0.07 0.00 1.11 0.00 0.00 32.58 29.97 1uxm s HIS 63 CO 0.41 -2.22 2.03 0.12 -0.85 0.00 0.00 174.74 174.22 1uxm s PHE 64 N -1.38 1.32 -0.39 1.40 5.36 -0.38 -4.44 117.98 119.47 1uxm s PHE 64 Ca 0.65 0.05 0.11 0.00 -0.96 0.00 0.00 56.93 56.78 1uxm s PHE 64 Cb -0.36 -4.09 0.33 0.00 -0.34 0.00 0.00 43.02 38.56 1uxm s PHE 64 CO 0.44 -4.69 0.70 -1.71 -1.46 0.00 0.00 175.22 168.50 1uxm n ASN 65 N 9.32 0.98 -0.12 6.13 5.15 -1.26 -1.62 115.26 133.84 1uxm n ASN 65 Ca 0.24 -3.00 0.01 0.00 -0.60 0.00 0.00 54.58 51.23 1uxm n ASN 65 Cb 0.43 -0.62 0.30 0.00 -0.53 0.00 0.00 39.78 39.36 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 3.22 0.79 -0.08 1.20 0.13 -1.93 -2.01 132.00 133.33 1uxm h PRO 66 Ca 0.10 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1uxm h PRO 66 Cb 0.92 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1uxm h PRO 66 CO 0.52 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.13 1uxm n LEU 67 N -4.41 0.64 -3.66 1.56 4.77 -1.26 -4.92 117.00 109.72 1uxm n LEU 67 Ca 0.06 -0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 55.52 1uxm n LEU 67 Cb 0.08 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1uxm n LEU 67 CO 0.37 0.14 -0.07 -1.20 -1.33 0.00 0.00 177.39 175.30 1uxm n SER 68 N -0.31 -2.79 -4.92 -1.43 7.64 -0.76 -5.01 113.62 106.03 1uxm n SER 68 Ca 0.12 -0.87 -0.25 0.00 1.01 0.00 0.00 58.87 58.88 1uxm n SER 68 Cb 0.15 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.39 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 -5.82 2.27 0.45 1.43 1.81 -1.26 -5.13 118.95 112.70 1uxm s ARG 69 Ca 0.17 -1.95 -0.04 0.00 -1.72 0.00 0.00 55.73 52.20 1uxm s ARG 69 Cb -0.05 -2.19 -0.03 0.00 -0.45 0.00 0.00 34.95 32.23 1uxm s ARG 69 CO 0.82 -0.64 0.73 0.15 -0.68 0.00 0.00 175.30 175.68 1uxm s LYS 70 N -4.33 3.47 0.28 3.54 1.02 -1.26 -4.77 119.74 117.68 1uxm s LYS 70 Ca 0.38 0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.11 1uxm s LYS 70 Cb -0.03 -2.45 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 1uxm s LYS 70 CO 0.24 -0.15 1.31 -1.58 -0.92 0.00 0.00 175.35 174.25 1uxm s HIS 71 N -2.64 3.14 0.00 3.18 5.65 -0.28 -3.00 115.29 121.34 1uxm s HIS 71 Ca 0.46 1.33 0.00 0.00 0.25 0.00 0.00 55.06 57.10 1uxm s HIS 71 Cb -0.10 -3.65 -0.00 0.00 -1.18 0.00 0.00 32.58 27.65 1uxm s HIS 71 CO 0.42 -1.88 0.00 0.41 -0.65 0.00 0.00 174.74 173.05 1uxm n GLY 72 N 1.43 3.51 3.98 1.59 0.00 -1.24 -4.27 105.19 110.20 1uxm n GLY 72 Ca 0.02 -1.50 -0.20 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.02 1.55 0.51 -0.02 0.00 -1.21 -4.63 107.32 102.49 1uxm s GLY 73 Ca 0.00 -1.31 0.23 0.00 0.00 0.00 0.00 44.72 43.64 1uxm s GLY 73 CO 0.00 -1.20 1.99 -2.55 0.00 0.00 0.00 173.10 171.34 1uxm h PRO 74 N 0.76 0.09 -0.00 2.90 0.11 -1.87 0.86 132.00 134.84 1uxm h PRO 74 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1uxm h PRO 74 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uxm h PRO 74 CO 0.55 0.06 -0.30 1.63 -0.21 0.00 0.00 178.00 179.73 1uxm n LYS 75 N -4.41 0.54 -2.61 1.05 4.76 -1.26 -4.87 118.16 111.36 1uxm n LYS 75 Ca 0.10 -0.29 -0.40 0.00 -2.87 0.00 0.00 58.31 54.84 1uxm n LYS 75 Cb 0.55 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 32.20 1uxm n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1uxm s ASP 76 N -2.66 7.42 0.20 4.39 1.01 0.29 -4.94 116.67 122.38 1uxm s ASP 76 Ca 0.21 2.05 -0.11 0.00 0.71 0.00 0.00 52.55 55.41 1uxm s ASP 76 Cb 0.19 -2.61 0.13 0.00 1.01 0.00 0.00 42.92 41.64 1uxm s ASP 76 CO 0.57 -0.06 1.82 -0.08 0.21 0.00 0.00 175.17 177.63 1uxm h GLU 77 N 4.53 0.97 -5.51 8.23 4.57 -1.89 -3.37 114.58 122.10 1uxm h GLU 77 Ca -0.45 -0.10 -0.64 0.00 -1.18 0.00 0.00 59.36 56.99 1uxm h GLU 77 Cb 1.21 -0.20 -0.14 0.00 -0.16 0.00 0.00 28.75 29.46 1uxm h GLU 77 CO 0.69 0.71 0.37 -2.00 -1.18 0.00 0.00 179.01 177.60 1uxm s GLU 78 N -5.91 3.25 0.09 1.92 2.56 -1.26 -4.98 118.70 114.37 1uxm s GLU 78 Ca -0.13 -0.51 -0.26 0.00 0.00 0.00 0.00 54.97 54.07 1uxm s GLU 78 Cb 0.14 -4.07 0.08 0.00 2.00 0.00 0.00 34.13 32.28 1uxm s GLU 78 CO 0.79 -1.39 0.88 -0.98 -0.56 0.00 0.00 175.26 173.99 1uxm s ARG 79 N 3.46 1.08 0.42 4.30 1.04 -1.16 -3.60 118.95 124.49 1uxm s ARG 79 Ca 0.24 -0.51 -0.21 0.00 -1.04 0.00 0.00 55.73 54.22 1uxm s ARG 79 Cb -0.15 0.43 -0.11 0.00 -2.04 0.00 0.00 34.95 33.08 1uxm s ARG 79 CO 0.16 -0.48 0.94 -1.01 -0.04 0.00 0.00 175.30 174.87 1uxm s HIS 80 N -3.30 3.31 0.40 5.89 3.76 -1.18 -4.68 115.29 119.49 1uxm s HIS 80 Ca 0.08 1.59 0.09 0.00 -0.15 0.00 0.00 55.06 56.66 1uxm s HIS 80 Cb -0.01 -2.83 0.87 0.00 1.11 0.00 0.00 32.58 31.71 1uxm s HIS 80 CO -0.04 -0.10 2.00 0.28 -0.85 0.00 0.00 174.74 176.03 1uxm h VAL 81 N 1.91 1.01 0.00 -0.90 2.07 -1.84 -2.02 116.25 116.48 1uxm h VAL 81 Ca -0.49 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1uxm h VAL 81 Cb 1.18 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1uxm h VAL 81 CO 0.61 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.92 1uxm n GLY 82 N -1.48 -0.98 3.56 2.17 0.00 -0.64 -4.26 105.19 103.55 1uxm n GLY 82 Ca 0.08 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.25 5.90 -0.05 1.61 1.01 -0.76 -0.56 116.67 121.56 1uxm s ASP 83 Ca 0.34 -0.66 0.21 0.00 0.71 0.00 0.00 52.55 53.15 1uxm s ASP 83 Cb 0.18 -2.56 0.69 0.00 1.01 0.00 0.00 42.92 42.25 1uxm s ASP 83 CO 0.35 -2.01 1.59 0.18 0.21 0.00 0.00 175.17 175.49 1uxm n LEU 84 N 10.75 4.37 0.00 1.23 4.77 -1.14 -3.64 117.00 133.35 1uxm n LEU 84 Ca 0.23 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.01 1uxm n LEU 84 Cb 0.50 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1uxm n LEU 84 CO 0.67 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 178.26 1uxm n GLY 85 N 1.46 0.55 3.55 -0.72 0.00 -1.21 -4.80 105.19 104.03 1uxm n GLY 85 Ca 0.26 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 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 4.13 0.29 1.61 0.01 -1.26 -1.14 114.94 114.58 1uxm s ASN 86 Ca 0.00 -0.66 0.10 0.00 -0.71 0.00 0.00 52.86 51.59 1uxm s ASN 86 Cb 0.00 -0.64 -0.05 0.00 0.41 0.00 0.00 41.25 40.97 1uxm s ASN 86 CO 0.00 0.09 -0.09 0.68 -1.51 0.00 0.00 177.10 176.27 1uxm s VAL 87 N -1.85 2.81 -0.20 1.60 -7.23 -0.13 -4.91 120.40 110.49 1uxm s VAL 87 Ca 0.26 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 1uxm s VAL 87 Cb -0.08 -2.59 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1uxm s VAL 87 CO 0.15 -0.34 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.53 1uxm s THR 88 N -2.46 2.17 -0.03 5.32 2.01 -1.26 -1.07 115.64 120.31 1uxm s THR 88 Ca 0.31 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.21 1uxm s THR 88 Cb -0.04 -1.97 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 1uxm s THR 88 CO 0.17 0.44 0.27 0.00 -0.69 0.00 0.00 174.62 174.82 1uxm s ALA 89 N 1.27 3.81 0.85 7.40 0.00 -0.32 -3.91 121.76 130.86 1uxm s ALA 89 Ca 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.46 1uxm s ALA 89 Cb -0.14 -2.13 0.07 0.00 0.00 0.00 0.00 23.12 20.91 1uxm s ALA 89 CO -0.11 0.59 0.40 -0.40 0.00 0.00 0.00 175.76 176.24 1uxm n ASP 90 N 1.57 0.16 0.28 0.00 5.68 0.25 -1.24 116.55 123.25 1uxm n ASP 90 Ca -0.15 -1.22 0.16 0.00 -0.50 0.00 0.00 54.79 53.08 1uxm n ASP 90 Cb 0.53 -0.30 0.78 0.00 -1.14 0.00 0.00 41.12 40.99 1uxm n ASP 90 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1uxm h LYS 91 N 0.00 0.00 -0.00 0.11 5.09 -1.95 -1.00 116.57 118.82 1uxm h LYS 91 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.61 1uxm h LYS 91 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1uxm h LYS 91 CO 0.10 0.08 -0.12 -0.25 -2.09 0.00 0.00 179.45 177.17 1uxm n ASP 92 N -3.35 0.17 0.00 7.07 8.00 -1.26 -4.84 116.55 122.33 1uxm n ASP 92 Ca -0.01 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1uxm n ASP 92 Cb 0.25 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.45 0.79 3.52 0.44 0.00 -0.38 -4.70 105.19 106.30 1uxm n GLY 93 Ca 0.08 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 4.15 -0.25 1.61 1.01 -1.26 -0.88 120.40 122.78 1uxm s VAL 94 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 1uxm s VAL 94 Cb 0.00 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1uxm s VAL 94 CO 0.00 0.46 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1uxm s ALA 95 N 0.56 3.05 -0.22 5.51 0.00 0.19 -0.58 121.76 130.26 1uxm s ALA 95 Ca -0.01 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 1uxm s ALA 95 Cb -0.14 -2.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1uxm s ALA 95 CO 0.02 -0.59 0.44 0.34 0.00 0.00 0.00 175.76 175.97 1uxm s ASP 96 N 1.55 6.44 -0.11 0.00 -1.08 -1.25 -0.86 116.67 121.35 1uxm s ASP 96 Ca 0.05 0.52 -0.00 0.00 -0.52 0.00 0.00 52.55 52.60 1uxm s ASP 96 Cb -0.15 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1uxm s ASP 96 CO 0.02 -0.14 -0.09 -0.69 0.52 0.00 0.00 175.17 174.78 1uxm s VAL 97 N 1.63 3.42 -0.29 1.11 1.01 0.42 -4.71 120.40 122.99 1uxm s VAL 97 Ca 0.20 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1uxm s VAL 97 Cb -0.15 -2.43 0.18 0.00 0.00 0.00 0.00 36.38 33.97 1uxm s VAL 97 CO 0.09 0.54 0.53 -0.55 0.00 0.00 0.00 175.10 175.71 1uxm s SER 98 N -0.03 -0.91 0.05 3.32 0.15 -1.22 -1.27 113.70 113.79 1uxm s SER 98 Ca -0.01 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.06 1uxm s SER 98 Cb -0.14 1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 65.94 1uxm s SER 98 CO 0.03 -0.29 -0.12 -0.63 1.20 0.00 0.00 173.24 173.43 1uxm s ILE 99 N 2.75 0.89 -0.10 6.45 1.01 0.17 -4.99 121.20 127.38 1uxm s ILE 99 Ca 0.15 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.71 1uxm s ILE 99 Cb -0.13 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1uxm s ILE 99 CO -0.23 -0.21 -0.16 -0.70 0.00 0.00 0.00 174.94 173.64 1uxm s GLU 100 N -1.48 2.27 0.00 2.79 2.12 -1.26 0.36 118.70 123.49 1uxm s GLU 100 Ca -0.04 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.70 1uxm s GLU 100 Cb -0.09 -1.85 -0.00 0.00 0.26 0.00 0.00 34.13 32.45 1uxm s GLU 100 CO 0.01 0.01 -0.00 0.34 -0.54 0.00 0.00 175.26 175.09 1uxm s ASP 101 N 0.76 0.02 -0.00 -1.70 2.15 -0.10 -4.95 116.67 112.85 1uxm s ASP 101 Ca -0.11 -0.04 0.08 0.00 0.43 0.00 0.00 52.55 52.90 1uxm s ASP 101 Cb -0.16 0.01 0.22 0.00 -0.30 0.00 0.00 42.92 42.69 1uxm s ASP 101 CO 0.02 -0.03 1.18 -1.20 -0.17 0.00 0.00 175.17 174.98 1uxm n SER 102 N 2.95 2.65 -0.11 -0.34 7.64 -1.26 -0.15 113.62 125.01 1uxm n SER 102 Ca -0.13 -2.00 -0.24 0.00 1.01 0.00 0.00 58.87 57.51 1uxm n SER 102 Cb 0.60 -0.16 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 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 0.22 1.56 -1.02 0.44 0.31 -1.26 -4.89 118.33 113.68 1uxm n VAL 103 Ca 0.08 -0.42 -0.30 0.00 -0.01 0.00 0.00 64.34 63.68 1uxm n VAL 103 Cb 0.37 -1.74 0.14 0.00 -0.91 0.00 0.00 33.84 31.70 1uxm n VAL 103 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1uxm s ILE 104 N -2.50 2.69 0.10 2.52 -4.36 -1.26 -4.86 121.20 113.53 1uxm s ILE 104 Ca -0.34 0.22 -0.14 0.00 -0.26 0.00 0.00 60.65 60.14 1uxm s ILE 104 Cb 0.10 -2.54 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1uxm s ILE 104 CO 0.58 -0.29 0.34 -0.55 0.24 0.00 0.00 174.94 175.26 1uxm s SER 105 N -3.12 -0.14 -0.25 4.36 0.15 -1.02 -4.77 113.70 108.92 1uxm s SER 105 Ca 0.64 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 57.07 1uxm s SER 105 Cb -0.20 0.42 0.82 0.00 -1.71 0.00 0.00 66.02 65.36 1uxm s SER 105 CO 0.58 -0.78 1.76 0.18 1.20 0.00 0.00 173.24 176.18 1uxm n LEU 106 N -0.02 5.81 -3.83 3.45 4.77 -1.26 -1.34 117.00 124.58 1uxm n LEU 106 Ca -0.16 -2.96 -0.07 0.00 -0.03 0.00 0.00 56.01 52.79 1uxm n LEU 106 Cb 0.63 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1uxm n LEU 106 CO 0.19 0.64 0.60 -0.94 -1.33 0.00 0.00 177.39 176.56 1uxm s SER 107 N -0.81 -0.07 0.60 -1.43 1.04 -1.26 -4.55 113.70 107.22 1uxm s SER 107 Ca 0.55 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1uxm s SER 107 Cb 0.42 0.71 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1uxm s SER 107 CO 0.16 -1.38 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1uxm n GLY 108 N -0.54 -0.47 0.17 7.32 0.00 -1.26 -2.72 105.19 107.69 1uxm n GLY 108 Ca -0.06 -1.07 0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.60 1.61 3.32 -2.01 -2.58 116.42 116.16 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 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.93 1uxm n HIS 110 N -2.50 1.19 -1.71 4.55 8.25 -1.25 -4.97 115.22 118.77 1uxm n HIS 110 Ca 0.02 -0.59 -0.43 0.00 -0.26 0.00 0.00 57.72 56.46 1uxm n HIS 110 Cb 0.26 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 3.18 0.23 -1.97 0.00 -5.35 -0.45 -4.92 119.36 110.08 1uxm n ILE 112 Ca 0.14 -0.62 -0.41 0.00 -0.27 0.00 0.00 62.75 61.59 1uxm n ILE 112 Cb 0.34 1.18 -0.02 0.00 -1.74 0.00 0.00 39.64 39.40 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 -1.42 2.58 0.00 7.28 1.01 -1.26 -1.62 121.20 127.77 1uxm s ILE 113 Ca 0.26 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1uxm s ILE 113 Cb 0.16 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.33 1uxm s ILE 113 CO 0.24 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1uxm n GLY 114 N 2.37 0.81 2.22 6.18 0.00 -0.03 -4.99 105.19 111.74 1uxm n GLY 114 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.23 0.80 -4.93 1.61 1.74 -0.64 -2.17 116.66 110.84 1uxm n ARG 115 Ca 0.00 -1.79 -0.33 0.00 -0.77 0.00 0.00 57.85 54.96 1uxm n ARG 115 Cb 0.00 -0.11 -0.15 0.00 -1.02 0.00 0.00 32.46 31.18 1uxm n ARG 115 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1uxm s THR 116 N -1.09 2.62 -0.13 0.55 2.01 -1.07 0.20 115.64 118.73 1uxm s THR 116 Ca 0.33 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.34 1uxm s THR 116 Cb -0.03 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1uxm s THR 116 CO 0.21 0.54 0.45 -0.22 -0.69 0.00 0.00 174.62 174.91 1uxm s LEU 117 N 0.39 4.26 -0.04 4.42 2.96 -0.17 0.56 118.68 131.06 1uxm s LEU 117 Ca -0.14 0.75 0.07 0.00 -0.22 0.00 0.00 54.13 54.59 1uxm s LEU 117 Cb -0.17 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1uxm s LEU 117 CO 0.06 -0.00 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.16 1uxm s VAL 118 N 0.71 1.94 -0.11 1.68 1.01 0.33 -2.15 120.40 123.81 1uxm s VAL 118 Ca 0.24 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1uxm s VAL 118 Cb -0.15 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1uxm s VAL 118 CO 0.09 0.55 -0.14 0.54 0.00 0.00 0.00 175.10 176.14 1uxm s VAL 119 N -0.34 3.00 0.33 2.92 0.11 -0.83 -1.51 120.40 124.08 1uxm s VAL 119 Ca 0.03 -0.69 0.07 0.00 -2.93 0.00 0.00 61.98 58.45 1uxm s VAL 119 Cb -0.11 -2.24 -0.01 0.00 -1.53 0.00 0.00 36.38 32.48 1uxm s VAL 119 CO 0.01 0.54 0.44 -1.00 -3.33 0.00 0.00 175.10 171.77 1uxm s HIS 120 N 0.16 3.09 0.28 1.54 3.76 0.13 -1.05 115.29 123.19 1uxm s HIS 120 Ca -0.07 -0.23 0.02 0.00 -0.15 0.00 0.00 55.06 54.62 1uxm s HIS 120 Cb -0.15 -1.96 0.40 0.00 1.11 0.00 0.00 32.58 31.98 1uxm s HIS 120 CO 0.05 0.02 1.73 1.49 -0.85 0.00 0.00 174.74 177.17 1uxm h GLU 121 N 0.94 0.51 -5.08 1.40 4.81 -0.89 -3.38 114.58 112.90 1uxm h GLU 121 Ca -0.46 -0.19 -0.60 0.00 -0.13 0.00 0.00 59.36 57.98 1uxm h GLU 121 Cb 1.26 -0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.47 1uxm h GLU 121 CO 0.54 0.71 -0.51 0.15 -0.73 0.00 0.00 179.01 179.16 1uxm s LYS 122 N -4.55 2.04 0.39 1.92 1.02 0.56 -4.95 119.74 116.17 1uxm s LYS 122 Ca -0.07 -2.27 -0.26 0.00 0.02 0.00 0.00 55.97 53.39 1uxm s LYS 122 Cb 0.14 -0.90 -0.09 0.00 -0.52 0.00 0.00 37.83 36.47 1uxm s LYS 122 CO 0.79 -0.46 1.22 0.00 -0.92 0.00 0.00 175.35 175.98 1uxm s ALA 123 N -3.09 3.23 -0.18 5.17 0.00 -1.17 -0.77 121.76 124.95 1uxm s ALA 123 Ca 0.17 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.96 1uxm s ALA 123 Cb 0.02 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1uxm s ALA 123 CO 0.11 -0.61 0.81 0.34 0.00 0.00 0.00 175.76 176.40 1uxm s ASP 124 N -0.93 6.91 0.00 0.00 -1.08 -1.26 -3.91 116.67 116.40 1uxm s ASP 124 Ca 0.55 1.12 0.13 0.00 -0.52 0.00 0.00 52.55 53.83 1uxm s ASP 124 Cb -0.34 -2.44 0.58 0.00 -1.46 0.00 0.00 42.92 39.27 1uxm s ASP 124 CO 0.43 -0.39 1.40 -0.90 0.52 0.00 0.00 175.17 176.23 1uxm n ASP 125 N 5.28 0.72 -1.64 -0.34 5.68 0.52 -4.88 116.55 121.88 1uxm n ASP 125 Ca 0.04 -1.75 -0.18 0.00 -0.50 0.00 0.00 54.79 52.40 1uxm n ASP 125 Cb 0.49 -0.07 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 1uxm n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1uxm n LEU 126 N -0.22 -1.51 0.00 -2.12 4.77 -1.26 -2.24 117.00 114.41 1uxm n LEU 126 Ca 0.10 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1uxm n LEU 126 Cb 0.15 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1uxm n LEU 126 CO 0.08 -0.62 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 1uxm n GLY 127 N -0.88 0.45 1.04 -0.72 0.00 -1.25 -3.34 105.19 100.48 1uxm n GLY 127 Ca -0.19 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.97 1.86 0.03 1.61 5.02 -0.95 -4.66 118.16 118.09 1uxm n LYS 128 Ca 0.00 -3.17 0.12 0.00 -2.02 0.00 0.00 58.31 53.24 1uxm n LYS 128 Cb 0.00 -1.78 0.21 0.00 -0.02 0.00 0.00 35.03 33.43 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 -1.09 -1.33 2.03 0.72 0.00 -1.26 -4.97 105.19 99.29 1uxm n GLY 129 Ca 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.42 0.46 3.31 -0.02 0.00 -1.26 -4.98 105.19 104.12 1uxm n GLY 130 Ca 0.04 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.57 1.16 0.19 1.61 2.20 -1.26 -5.05 114.94 111.23 1uxm s ASN 131 Ca 0.00 -1.41 -0.11 0.00 -0.94 0.00 0.00 52.86 50.41 1uxm s ASN 131 Cb 0.00 0.21 0.12 0.00 -2.00 0.00 0.00 41.25 39.58 1uxm s ASN 131 CO 0.00 -0.76 1.80 -0.08 -2.94 0.00 0.00 177.10 175.12 1uxm h GLU 132 N 2.38 0.98 -0.44 3.55 4.81 -2.00 -2.33 114.58 121.53 1uxm h GLU 132 Ca -0.37 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1uxm h GLU 132 Cb 1.25 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1uxm h GLU 132 CO 0.59 0.75 0.20 1.49 -0.73 0.00 0.00 179.01 181.31 1uxm h GLU 133 N 0.96 0.39 -0.88 1.92 4.57 -1.99 -1.05 114.58 118.50 1uxm h GLU 133 Ca 0.24 -0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.64 1uxm h GLU 133 Cb 0.06 -0.09 -0.14 0.00 -0.16 0.00 0.00 28.75 28.42 1uxm h GLU 133 CO -0.04 0.26 0.25 1.03 -1.18 0.00 0.00 179.01 179.33 1uxm h SER 134 N 0.40 0.03 0.20 1.04 0.87 -1.76 0.84 113.55 115.17 1uxm h SER 134 Ca 0.19 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1uxm h SER 134 Cb 0.13 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1uxm h SER 134 CO -0.16 -0.15 0.00 0.35 -0.53 0.00 0.00 176.83 176.34 1uxm n THR 135 N -5.21 0.03 -0.08 2.23 -2.24 -0.42 -1.79 114.28 106.79 1uxm n THR 135 Ca 0.22 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1uxm n THR 135 Cb 0.69 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.11 0.35 0.00 -0.78 5.02 0.25 -1.12 118.16 120.78 1uxm n LYS 136 Ca 0.19 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1uxm n LYS 136 Cb 0.15 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 -3.44 0.00 -1.11 -0.18 -2.24 0.95 -4.69 114.28 103.57 1uxm n THR 137 Ca -0.30 -0.21 -0.04 0.00 -2.27 0.00 0.00 64.05 61.23 1uxm n THR 137 Cb 0.74 1.45 -0.02 0.00 -2.10 0.00 0.00 70.33 70.40 1uxm n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uxm n GLY 138 N 0.09 0.60 2.43 3.38 0.00 -0.74 -2.55 105.19 108.41 1uxm n GLY 138 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.16 -5.82 0.01 1.61 3.02 -1.26 -0.36 115.26 112.31 1uxm n ASN 139 Ca -0.04 0.08 0.06 0.00 -0.03 0.00 0.00 54.58 54.65 1uxm n ASN 139 Cb 0.28 -4.89 0.28 0.00 -0.61 0.00 0.00 39.78 34.83 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 -1.38 1.54 -0.10 5.41 0.00 -1.06 -4.74 120.51 120.19 1uxm n ALA 140 Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1uxm n ALA 140 Cb 0.69 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.28 -0.44 3.66 0.00 0.00 -1.26 -0.32 105.19 106.55 1uxm n GLY 141 Ca 0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 1uxm n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uxm s SER 142 N -4.00 2.88 -0.38 1.61 1.04 -1.26 -4.63 113.70 108.96 1uxm s SER 142 Ca 0.00 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 1uxm s SER 142 Cb 0.00 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1uxm s SER 142 CO 0.00 -3.05 0.41 -0.13 0.98 0.00 0.00 173.24 171.45 1uxm s ARG 143 N -4.73 3.32 0.03 4.02 0.52 -1.26 -0.84 118.95 120.00 1uxm s ARG 143 Ca 0.65 -0.58 -0.02 0.00 -0.52 0.00 0.00 55.73 55.27 1uxm s ARG 143 Cb -0.21 -3.89 -0.27 0.00 0.52 0.00 0.00 34.95 31.10 1uxm s ARG 143 CO 0.59 -0.70 0.95 -0.07 0.02 0.00 0.00 175.30 176.09 1uxm h LEU 144 N 8.93 0.35 -7.04 2.53 3.38 -1.39 -3.48 115.31 118.59 1uxm h LEU 144 Ca -0.28 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.20 1uxm h LEU 144 Cb 1.12 -0.11 -0.15 0.00 0.09 0.00 0.00 40.66 41.61 1uxm h LEU 144 CO 0.75 1.37 0.17 0.00 0.09 0.00 0.00 178.44 180.82 1uxm s ALA 145 N -2.63 -1.58 0.33 1.53 0.00 -1.15 -4.26 121.76 113.99 1uxm s ALA 145 Ca -0.07 0.71 -0.12 0.00 0.00 0.00 0.00 51.96 52.48 1uxm s ALA 145 Cb 0.07 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1uxm s ALA 145 CO 0.86 -0.62 0.63 0.00 0.00 0.00 0.00 175.76 176.63 1uxm s GLY 147 N -3.08 -0.42 0.19 0.00 0.00 -0.91 -0.45 107.32 102.65 1uxm s GLY 147 Ca 0.20 1.11 -0.28 0.00 0.00 0.00 0.00 44.72 45.75 1uxm s GLY 147 CO 0.12 0.36 0.87 0.14 0.00 0.00 0.00 173.10 174.60 1uxm s VAL 148 N -2.96 4.25 -0.26 1.40 1.01 -1.26 -1.00 120.40 121.59 1uxm s VAL 148 Ca 0.06 1.92 -0.25 0.00 0.00 0.00 0.00 61.98 63.72 1uxm s VAL 148 Cb -0.01 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 1uxm s VAL 148 CO -0.08 0.48 0.84 -0.63 0.00 0.00 0.00 175.10 175.72 1uxm s ILE 149 N -1.00 4.81 0.23 2.22 1.01 0.13 -4.48 121.20 124.13 1uxm s ILE 149 Ca 0.39 1.53 0.10 0.00 0.00 0.00 0.00 60.65 62.67 1uxm s ILE 149 Cb -0.24 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1uxm s ILE 149 CO 0.29 -0.12 -0.17 -0.83 0.00 0.00 0.00 174.94 174.11 1uxm s GLY 150 N 1.39 1.62 0.18 6.18 0.00 -0.06 -0.85 107.32 115.78 1uxm s GLY 150 Ca 0.35 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 43.04 1uxm s GLY 150 CO 0.08 -1.82 1.32 -0.42 0.00 0.00 0.00 173.10 172.27 1uxm s ILE 151 N -2.67 3.23 0.31 0.90 1.01 -1.26 -0.99 121.20 121.73 1uxm s ILE 151 Ca 0.25 0.99 0.09 0.00 0.00 0.00 0.00 60.65 61.97 1uxm s ILE 151 Cb -0.03 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1uxm s ILE 151 CO 0.10 0.13 0.10 0.00 0.00 0.00 0.00 174.94 175.28 1uxm s ALA 152 N 0.29 3.40 -2.42 9.38 0.00 0.06 -4.78 121.76 127.69 1uxm s ALA 152 Ca 0.58 -1.75 0.29 0.00 0.00 0.00 0.00 51.96 51.08 1uxm s ALA 152 Cb -0.36 -0.78 1.19 0.00 0.00 0.00 0.00 23.12 23.17 1uxm s ALA 152 CO 0.37 0.12 1.83 0.94 0.00 0.00 0.00 175.76 179.02