#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lxr n ALA 3 N 0.00 -2.00 -2.64 0.00 0.00 -1.26 -4.93 120.51 109.68 3lxr n ALA 3 Ca 0.00 0.36 -0.44 0.00 0.00 0.00 0.00 53.44 53.36 3lxr n ALA 3 Cb 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 19.45 17.64 3lxr n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3lxr s ILE 4 N -1.14 5.09 -0.12 0.00 1.01 -1.26 -5.03 121.20 119.75 3lxr s ILE 4 Ca 0.62 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 3lxr s ILE 4 Cb -0.80 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 37.54 3lxr s ILE 4 CO 0.58 -0.53 -0.10 -0.13 0.00 0.00 0.00 174.94 174.76 3lxr s ARG 5 N 2.08 3.27 0.01 2.79 0.52 -1.26 -0.22 118.95 126.14 3lxr s ARG 5 Ca 0.10 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 54.72 3lxr s ARG 5 Cb -0.19 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 3lxr s ARG 5 CO 0.11 0.34 -0.10 0.15 0.02 0.00 0.00 175.30 175.82 3lxr s LYS 6 N 0.05 0.72 -0.28 3.54 -0.14 -0.10 -4.95 119.74 118.58 3lxr s LYS 6 Ca -0.03 -0.48 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 3lxr s LYS 6 Cb -0.14 -0.68 -0.05 0.00 -1.68 0.00 0.00 37.83 35.29 3lxr s LYS 6 CO 0.04 0.18 0.22 0.21 -0.76 0.00 0.00 175.35 175.23 3lxr s LYS 7 N -0.63 3.92 -0.16 1.68 2.20 -1.26 -0.27 119.74 125.22 3lxr s LYS 7 Ca 0.01 -0.30 -0.05 0.00 -0.36 0.00 0.00 55.97 55.27 3lxr s LYS 7 Cb -0.05 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 3lxr s LYS 7 CO 0.00 -0.22 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.59 3lxr s LEU 8 N 1.80 3.41 -0.10 5.43 0.20 0.07 -0.64 118.68 128.84 3lxr s LEU 8 Ca 0.08 -0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.86 3lxr s LEU 8 Cb -0.16 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.76 3lxr s LEU 8 CO 0.11 0.17 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.46 3lxr s VAL 9 N 0.35 2.54 -0.17 1.68 1.01 -0.85 -0.89 120.40 124.08 3lxr s VAL 9 Ca -0.02 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3lxr s VAL 9 Cb -0.14 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3lxr s VAL 9 CO 0.02 0.55 0.01 -0.51 0.00 0.00 0.00 175.10 175.17 3lxr s ILE 10 N 0.13 4.26 0.12 2.22 2.07 -0.91 -1.04 121.20 128.06 3lxr s ILE 10 Ca -0.10 -0.22 0.05 0.00 -1.41 0.00 0.00 60.65 58.97 3lxr s ILE 10 Cb -0.16 -2.90 -0.04 0.00 0.13 0.00 0.00 42.46 39.50 3lxr s ILE 10 CO 0.06 0.47 -0.13 0.68 -1.91 0.00 0.00 174.94 174.12 3lxr s VAL 11 N 0.42 1.23 0.00 4.00 -7.23 -0.22 -3.48 120.40 115.12 3lxr s VAL 11 Ca -0.01 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 58.40 3lxr s VAL 11 Cb -0.13 -1.55 0.00 0.00 0.56 0.00 0.00 36.38 35.26 3lxr s VAL 11 CO 0.02 -0.50 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 3lxr n GLY 12 N 0.41 2.02 3.71 2.32 0.00 -1.26 -0.36 105.19 112.03 3lxr n GLY 12 Ca -0.15 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 3lxr n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lxr s ASP 13 N 0.00 3.56 0.46 1.61 1.01 -1.26 -4.93 116.67 117.12 3lxr s ASP 13 Ca 0.00 2.11 -0.24 0.00 0.71 0.00 0.00 52.55 55.13 3lxr s ASP 13 Cb 0.00 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 3lxr s ASP 13 CO 0.00 -2.68 1.31 -0.83 0.21 0.00 0.00 175.17 173.18 3lxr s GLY 14 N -2.79 2.88 -1.27 0.21 0.00 -1.26 -2.59 107.32 102.51 3lxr s GLY 14 Ca 0.66 1.23 0.00 0.00 0.00 0.00 0.00 44.72 46.61 3lxr s GLY 14 CO 0.55 1.78 0.00 0.00 0.00 0.00 0.00 173.10 175.43 3lxr n ALA 15 N -0.34 -0.18 1.39 3.20 0.00 -1.26 -4.87 120.51 118.45 3lxr n ALA 15 Ca 0.06 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3lxr n ALA 15 Cb 0.45 -1.54 0.35 0.00 0.00 0.00 0.00 19.45 18.70 3lxr n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lxr n GLY 17 N 1.00 1.05 0.15 0.00 0.00 -1.26 -4.37 105.19 101.76 3lxr n GLY 17 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3lxr n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3lxr h LYS 18 N 0.48 -0.29 -0.52 1.61 1.57 -1.90 -1.46 116.57 116.06 3lxr h LYS 18 Ca 0.00 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 3lxr h LYS 18 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3lxr h LYS 18 CO 0.00 -0.04 0.03 1.15 -0.57 0.00 0.00 179.45 180.02 3lxr h THR 19 N -0.50 1.26 -0.82 -0.16 2.02 -1.95 -1.91 112.91 110.85 3lxr h THR 19 Ca -0.03 -1.04 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 3lxr h THR 19 Cb 0.37 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3lxr h THR 19 CO 0.05 0.37 0.37 0.00 0.37 0.00 0.00 175.52 176.68 3lxr h LEU 21 N 1.18 0.72 -0.71 0.00 5.85 -0.88 0.11 115.31 121.58 3lxr h LEU 21 Ca 0.28 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 3lxr h LEU 21 Cb 0.15 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3lxr h LEU 21 CO -0.03 0.67 -0.19 -0.07 -0.34 0.00 0.00 178.44 178.48 3lxr h LEU 22 N 0.72 0.80 -0.17 2.25 3.38 -0.81 -2.20 115.31 119.27 3lxr h LEU 22 Ca 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3lxr h LEU 22 Cb 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3lxr h LEU 22 CO -0.02 0.98 0.08 0.40 0.09 0.00 0.00 178.44 179.97 3lxr h ILE 23 N 0.70 1.13 -0.80 1.22 2.04 -0.64 -0.94 117.51 120.21 3lxr h ILE 23 Ca 0.10 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3lxr h ILE 23 Cb 0.69 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3lxr h ILE 23 CO 0.05 0.12 0.33 0.58 0.00 0.00 0.00 178.15 179.23 3lxr h VAL 24 N 0.14 1.26 -0.31 1.67 2.07 -0.61 0.20 116.25 120.68 3lxr h VAL 24 Ca 0.06 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3lxr h VAL 24 Cb 0.12 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3lxr h VAL 24 CO -0.01 0.33 0.00 0.15 0.02 0.00 0.00 177.57 178.07 3lxr h PHE 25 N 1.16 0.60 0.02 1.57 3.57 -1.33 0.53 116.94 123.07 3lxr h PHE 25 Ca 0.27 -0.10 -0.23 0.00 3.53 0.00 0.00 57.97 61.43 3lxr h PHE 25 Cb 0.20 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3lxr h PHE 25 CO 0.02 0.68 -0.99 0.66 -2.23 0.00 0.00 178.31 176.44 3lxr h SER 26 N 0.35 0.51 0.00 0.41 4.64 -0.88 -3.36 113.55 115.22 3lxr h SER 26 Ca 0.09 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3lxr h SER 26 Cb 0.44 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3lxr h SER 26 CO 0.02 1.24 -0.67 0.29 -0.87 0.00 0.00 176.83 176.84 3lxr n LYS 27 N -3.71 2.85 -3.37 4.77 5.02 0.69 -5.00 118.16 119.41 3lxr n LYS 27 Ca -0.07 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 3lxr n LYS 27 Cb 0.87 -1.07 0.02 0.00 -0.02 0.00 0.00 35.03 34.82 3lxr n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3lxr n ASP 28 N -1.35 -4.74 -3.65 4.39 2.03 0.18 -4.97 116.55 108.44 3lxr n ASP 28 Ca 0.02 -0.44 -0.07 0.00 0.52 0.00 0.00 54.79 54.82 3lxr n ASP 28 Cb 0.20 -3.85 -0.08 0.00 -0.72 0.00 0.00 41.12 36.66 3lxr n ASP 28 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3lxr s GLN 29 N -6.05 0.37 0.13 -0.67 0.74 -1.25 -5.06 119.66 107.87 3lxr s GLN 29 Ca 0.43 1.10 -0.31 0.00 0.05 0.00 0.00 55.36 56.63 3lxr s GLN 29 Cb -0.21 0.41 -0.08 0.00 1.10 0.00 0.00 33.01 34.23 3lxr s GLN 29 CO 0.53 -0.25 1.35 0.12 -0.55 0.00 0.00 175.29 176.49 3lxr s PHE 30 N 2.66 3.26 -0.89 1.67 5.36 -1.26 -4.24 117.98 124.54 3lxr s PHE 30 Ca -0.02 1.05 -0.24 0.00 -0.96 0.00 0.00 56.93 56.76 3lxr s PHE 30 Cb -0.12 -3.64 -0.01 0.00 -0.34 0.00 0.00 43.02 38.91 3lxr s PHE 30 CO -0.14 -2.16 1.76 -1.25 -1.46 0.00 0.00 175.22 171.97 3lxr s PRO 31 N 0.77 2.89 0.07 10.12 0.04 -1.26 -4.84 135.00 142.80 3lxr s PRO 31 Ca 0.62 -0.42 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 3lxr s PRO 31 Cb -0.36 -5.02 -0.14 0.00 0.04 0.00 0.00 34.50 29.01 3lxr s PRO 31 CO 0.32 -2.91 1.31 1.05 0.04 0.00 0.00 177.00 176.81 3lxr h GLU 32 N 11.21 0.63 0.12 4.56 4.11 -2.01 -3.40 114.58 129.80 3lxr h GLU 32 Ca 0.06 -0.45 -0.01 0.00 0.07 0.00 0.00 59.36 59.04 3lxr h GLU 32 Cb 1.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3lxr h GLU 32 CO 1.28 1.07 -0.06 0.28 0.07 0.00 0.00 179.01 181.65 3lxr h VAL 33 N 0.31 0.00 -3.91 -1.06 2.07 -2.04 -3.47 116.25 108.14 3lxr h VAL 33 Ca -0.01 -0.65 -0.28 0.00 0.82 0.00 0.00 66.70 66.58 3lxr h VAL 33 Cb 1.09 0.00 -0.25 0.00 -1.52 0.00 0.00 31.29 30.61 3lxr h VAL 33 CO 0.10 0.00 -0.74 -0.72 0.02 0.00 0.00 177.57 176.24 3lxr s TYR 34 N -2.00 0.46 -0.35 1.57 1.13 -1.26 -5.10 117.35 111.79 3lxr s TYR 34 Ca -0.02 -0.26 -0.14 0.00 -1.41 0.00 0.00 57.07 55.24 3lxr s TYR 34 Cb 0.00 -0.29 -0.01 0.00 -1.10 0.00 0.00 41.96 40.56 3lxr s TYR 34 CO 0.07 -0.05 0.28 0.08 -2.51 0.00 0.00 175.55 173.42 3lxr s VAL 35 N -0.67 5.25 0.46 -3.49 1.01 -1.26 -4.80 120.40 116.91 3lxr s VAL 35 Ca -0.04 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.47 3lxr s VAL 35 Cb -0.05 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.47 3lxr s VAL 35 CO -0.00 -0.08 1.26 -2.65 0.00 0.00 0.00 175.10 173.63 3lxr n PRO 36 N 5.19 1.79 0.07 2.72 -0.02 -1.26 -4.93 135.00 138.57 3lxr n PRO 36 Ca -0.12 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.79 3lxr n PRO 36 Cb 0.49 -2.40 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 3lxr n PRO 36 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3lxr h THR 37 N 1.82 0.97 -3.62 3.45 2.02 -2.02 -3.45 112.91 112.07 3lxr h THR 37 Ca -0.48 -2.55 -0.68 0.00 0.77 0.00 0.00 66.41 63.46 3lxr h THR 37 Cb 1.30 2.77 -0.26 0.00 -1.74 0.00 0.00 68.15 70.22 3lxr h THR 37 CO 0.59 0.85 -0.60 -0.69 0.37 0.00 0.00 175.52 176.04 3lxr s VAL 38 N -2.58 4.08 -0.24 3.16 1.01 -1.26 -4.98 120.40 119.59 3lxr s VAL 38 Ca -0.15 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 3lxr s VAL 38 Cb 0.05 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3lxr s VAL 38 CO 0.86 -0.01 0.54 0.12 0.00 0.00 0.00 175.10 176.61 3lxr s PHE 39 N 1.50 3.30 0.27 5.22 5.36 -1.26 -5.06 117.98 127.31 3lxr s PHE 39 Ca 0.02 0.71 -0.28 0.00 -0.96 0.00 0.00 56.93 56.42 3lxr s PHE 39 Cb -0.18 -2.73 -0.09 0.00 -0.34 0.00 0.00 43.02 39.68 3lxr s PHE 39 CO 0.03 -0.24 0.94 -1.21 -1.46 0.00 0.00 175.22 173.29 3lxr s GLU 40 N 2.14 4.75 0.26 10.12 0.41 -1.26 -4.77 118.70 130.36 3lxr s GLU 40 Ca 0.23 1.42 -0.28 0.00 -0.41 0.00 0.00 54.97 55.93 3lxr s GLU 40 Cb -0.16 -3.11 -0.15 0.00 -1.78 0.00 0.00 34.13 28.94 3lxr s GLU 40 CO 0.09 0.44 0.86 -1.71 -0.49 0.00 0.00 175.26 174.45 3lxr n ASN 41 N 1.16 0.55 -3.78 -0.19 4.05 -1.26 -4.97 115.26 110.81 3lxr n ASN 41 Ca -0.01 1.17 -0.14 0.00 0.45 0.00 0.00 54.58 56.05 3lxr n ASN 41 Cb 0.48 -1.19 -0.14 0.00 1.23 0.00 0.00 39.78 40.16 3lxr n ASN 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3lxr s TYR 42 N -1.04 -0.10 -0.27 1.20 5.04 -1.19 -4.98 117.35 116.01 3lxr s TYR 42 Ca 0.60 0.33 -0.10 0.00 -2.44 0.00 0.00 57.07 55.45 3lxr s TYR 42 Cb -0.77 -0.09 -0.05 0.00 0.35 0.00 0.00 41.96 41.41 3lxr s TYR 42 CO 0.59 -0.11 0.17 0.08 -1.34 0.00 0.00 175.55 174.93 3lxr s VAL 43 N 0.83 5.20 -0.04 3.14 1.01 -1.26 0.13 120.40 129.41 3lxr s VAL 43 Ca -0.06 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 3lxr s VAL 43 Cb -0.09 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 3lxr s VAL 43 CO -0.04 0.28 0.32 0.00 0.00 0.00 0.00 175.10 175.67 3lxr s ALA 44 N 1.59 3.75 -0.23 5.51 0.00 -0.43 -4.90 121.76 127.05 3lxr s ALA 44 Ca 0.07 -0.35 -0.21 0.00 0.00 0.00 0.00 51.96 51.46 3lxr s ALA 44 Cb -0.15 -2.26 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 3lxr s ALA 44 CO 0.09 0.52 0.67 -0.51 0.00 0.00 0.00 175.76 176.52 3lxr s ASP 45 N -1.03 6.68 0.03 0.00 1.01 -1.26 -0.69 116.67 121.41 3lxr s ASP 45 Ca 0.21 0.83 0.03 0.00 0.71 0.00 0.00 52.55 54.32 3lxr s ASP 45 Cb -0.15 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 3lxr s ASP 45 CO 0.10 -0.35 -0.08 -0.51 0.21 0.00 0.00 175.17 174.54 3lxr s ILE 46 N 2.29 0.61 -0.11 0.77 2.07 -0.52 -5.01 121.20 121.31 3lxr s ILE 46 Ca 0.29 -0.88 0.03 0.00 -1.41 0.00 0.00 60.65 58.68 3lxr s ILE 46 Cb -0.16 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.82 3lxr s ILE 46 CO 0.09 -0.20 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.02 3lxr s GLU 47 N -1.18 2.68 -0.03 3.50 -6.30 -1.26 -0.78 118.70 115.33 3lxr s GLU 47 Ca -0.05 -0.74 0.01 0.00 -2.50 0.00 0.00 54.97 51.68 3lxr s GLU 47 Cb -0.08 -2.13 0.02 0.00 0.00 0.00 0.00 34.13 31.95 3lxr s GLU 47 CO 0.00 0.05 -0.02 0.08 0.02 0.00 0.00 175.26 175.40 3lxr s VAL 48 N 0.66 0.31 -1.40 3.70 1.01 -0.72 -4.84 120.40 119.11 3lxr s VAL 48 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 3lxr s VAL 48 Cb -0.16 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 35.88 3lxr s VAL 48 CO 0.03 0.17 0.51 0.47 0.00 0.00 0.00 175.10 176.28 3lxr n ASP 49 N 4.06 -4.84 0.00 3.32 8.00 -1.26 -1.01 116.55 124.82 3lxr n ASP 49 Ca -0.26 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 54.93 3lxr n ASP 49 Cb 0.51 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3lxr n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lxr n GLY 50 N -1.31 1.13 3.65 0.44 0.00 -1.26 -5.01 105.19 102.82 3lxr n GLY 50 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3lxr n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lxr s LYS 51 N -0.10 4.03 -0.27 1.61 -0.14 -0.18 -5.07 119.74 119.61 3lxr s LYS 51 Ca 0.00 -0.30 -0.23 0.00 -1.36 0.00 0.00 55.97 54.08 3lxr s LYS 51 Cb 0.00 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.75 3lxr s LYS 51 CO 0.00 0.16 0.75 -0.65 -0.76 0.00 0.00 175.35 174.84 3lxr s GLN 52 N 0.74 4.06 -0.03 1.68 -1.52 -1.26 -1.76 119.66 121.58 3lxr s GLN 52 Ca 0.06 0.66 0.07 0.00 -1.95 0.00 0.00 55.36 54.20 3lxr s GLN 52 Cb -0.13 -3.68 -0.02 0.00 -0.22 0.00 0.00 33.01 28.96 3lxr s GLN 52 CO 0.02 -0.55 -0.24 0.08 -0.25 0.00 0.00 175.29 174.34 3lxr s VAL 53 N 2.78 2.19 -0.48 1.09 1.01 0.04 -4.08 120.40 122.95 3lxr s VAL 53 Ca 0.31 -1.05 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3lxr s VAL 53 Cb -0.15 -1.77 0.06 0.00 0.00 0.00 0.00 36.38 34.52 3lxr s VAL 53 CO 0.10 0.58 0.48 -1.61 0.00 0.00 0.00 175.10 174.64 3lxr s GLU 54 N -0.54 3.04 -0.45 2.72 2.02 0.69 -1.44 118.70 124.74 3lxr s GLU 54 Ca 0.08 -1.14 -0.16 0.00 0.02 0.00 0.00 54.97 53.77 3lxr s GLU 54 Cb -0.11 -4.11 0.05 0.00 0.10 0.00 0.00 34.13 30.07 3lxr s GLU 54 CO 0.00 -1.08 0.40 -1.17 0.02 0.00 0.00 175.26 173.43 3lxr s LEU 55 N 2.03 5.36 -0.05 1.80 2.96 0.13 -0.93 118.68 129.99 3lxr s LEU 55 Ca 0.08 -1.12 -0.27 0.00 -0.22 0.00 0.00 54.13 52.60 3lxr s LEU 55 Cb -0.22 -2.22 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 3lxr s LEU 55 CO 0.09 -0.61 0.87 0.00 -1.32 0.00 0.00 176.35 175.38 3lxr s ALA 56 N 1.79 3.27 -0.26 5.97 0.00 0.63 -1.31 121.76 131.85 3lxr s ALA 56 Ca 0.06 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.27 3lxr s ALA 56 Cb -0.22 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3lxr s ALA 56 CO 0.09 -0.25 0.11 -0.51 0.00 0.00 0.00 175.76 175.19 3lxr s LEU 57 N 1.11 3.63 -0.23 0.00 1.43 0.12 -0.75 118.68 124.00 3lxr s LEU 57 Ca 0.45 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3lxr s LEU 57 Cb -0.19 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.07 3lxr s LEU 57 CO 0.22 -0.05 -0.10 0.26 0.23 0.00 0.00 176.35 176.92 3lxr s TRP 58 N 1.65 2.99 0.32 0.29 0.52 -0.07 -3.20 118.94 121.45 3lxr s TRP 58 Ca 0.06 -1.55 -0.11 0.00 0.02 0.00 0.00 56.10 54.53 3lxr s TRP 58 Cb -0.15 -2.02 -0.07 0.00 -1.15 0.00 0.00 33.47 30.07 3lxr s TRP 58 CO 0.06 -0.73 0.67 0.34 0.02 0.00 0.00 176.95 177.31 3lxr s ASP 59 N 1.32 6.61 0.00 2.95 -1.08 -1.26 -2.14 116.67 123.06 3lxr s ASP 59 Ca 0.02 1.06 0.03 0.00 -0.52 0.00 0.00 52.55 53.13 3lxr s ASP 59 Cb -0.16 -2.29 0.07 0.00 -1.46 0.00 0.00 42.92 39.09 3lxr s ASP 59 CO -0.07 -0.24 0.98 0.35 0.52 0.00 0.00 175.17 176.72 3lxr n THR 60 N -0.70 0.81 -1.69 1.71 -2.24 -1.23 -4.92 114.28 106.02 3lxr n THR 60 Ca 0.02 -0.90 -0.42 0.00 -2.27 0.00 0.00 64.05 60.47 3lxr n THR 60 Cb 0.53 0.61 -0.00 0.00 -2.10 0.00 0.00 70.33 69.37 3lxr n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lxr n ALA 61 N -0.16 1.15 -0.01 6.98 0.00 -1.26 -2.12 120.51 125.09 3lxr n ALA 61 Ca 0.03 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3lxr n ALA 61 Cb 0.25 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.47 3lxr n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lxr n GLY 62 N 0.83 1.25 1.26 0.00 0.00 -1.26 -4.88 105.19 102.39 3lxr n GLY 62 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 3lxr n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3lxr n GLN 63 N -2.00 2.78 0.25 1.61 6.02 -0.90 -4.59 117.38 120.56 3lxr n GLN 63 Ca 0.00 -2.59 0.11 0.00 -0.01 0.00 0.00 57.00 54.52 3lxr n GLN 63 Cb 0.00 -1.54 0.68 0.00 1.02 0.00 0.00 30.24 30.40 3lxr n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3lxr h GLU 64 N 3.96 0.00 -0.50 -1.09 3.07 -1.90 -0.68 114.58 117.44 3lxr h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3lxr h GLU 64 Cb 0.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3lxr h GLU 64 CO 0.01 0.14 0.00 -0.25 -1.40 0.00 0.00 179.01 177.51 3lxr n ASP 65 N -3.72 4.45 -3.76 1.42 8.00 -1.26 -4.74 116.55 116.93 3lxr n ASP 65 Ca -0.02 -2.59 -0.28 0.00 0.71 0.00 0.00 54.79 52.61 3lxr n ASP 65 Cb 0.25 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.70 3lxr n ASP 65 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3lxr n TYR 66 N 0.57 2.84 0.28 1.24 4.01 -0.26 -4.93 117.16 120.91 3lxr n TYR 66 Ca 0.23 -4.18 0.12 0.00 -0.16 0.00 0.00 57.90 53.91 3lxr n TYR 66 Cb 0.87 -0.52 0.79 0.00 -0.31 0.00 0.00 39.34 40.17 3lxr n TYR 66 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3lxr h ASP 67 N 5.19 0.00 1.08 7.72 3.32 -1.85 -1.43 116.42 130.45 3lxr h ASP 67 Ca 0.17 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 3lxr h ASP 67 Cb 0.76 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3lxr h ASP 67 CO 0.70 0.03 -0.50 0.03 -1.72 0.00 0.00 179.24 177.78 3lxr h ARG 68 N 0.00 0.00 0.07 3.56 3.08 -1.94 -3.35 114.38 115.80 3lxr h ARG 68 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 3lxr h ARG 68 Cb 0.08 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3lxr h ARG 68 CO 0.00 0.50 -1.87 1.28 -1.07 0.00 0.00 179.97 178.81 3lxr n LEU 69 N -3.41 1.87 -0.32 3.04 4.77 -0.56 -4.39 117.00 118.00 3lxr n LEU 69 Ca 0.01 0.30 0.18 0.00 -0.03 0.00 0.00 56.01 56.47 3lxr n LEU 69 Cb 0.64 -0.56 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 3lxr n LEU 69 CO 0.39 0.65 1.20 0.03 -1.33 0.00 0.00 177.39 178.34 3lxr h ARG 70 N 0.04 0.52 -0.02 3.23 3.08 -1.63 -1.87 114.38 117.74 3lxr h ARG 70 Ca -0.36 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.66 3lxr h ARG 70 Cb 2.03 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.96 3lxr h ARG 70 CO 0.09 0.35 0.02 -1.35 -1.07 0.00 0.00 179.97 178.00 3lxr h PRO 71 N 0.54 0.00 0.00 0.04 0.11 -1.77 -0.51 132.00 130.41 3lxr h PRO 71 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 3lxr h PRO 71 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3lxr h PRO 71 CO -0.34 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.73 3lxr n LEU 72 N -3.98 0.14 0.13 2.35 4.77 -0.70 -2.59 117.00 117.11 3lxr n LEU 72 Ca -0.02 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 3lxr n LEU 72 Cb 0.11 -0.49 0.27 0.00 -2.33 0.00 0.00 43.42 40.99 3lxr n LEU 72 CO 0.29 -0.14 0.71 0.77 -1.33 0.00 0.00 177.39 177.69 3lxr h SER 73 N 0.00 0.00 0.62 -1.43 4.64 -1.21 -3.40 113.55 112.77 3lxr h SER 73 Ca 0.00 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.17 3lxr h SER 73 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 3lxr h SER 73 CO 0.00 0.02 -1.47 -1.22 -0.87 0.00 0.00 176.83 173.29 3lxr n TYR 74 N -2.49 0.76 -1.56 4.77 4.01 -1.07 -4.93 117.16 116.65 3lxr n TYR 74 Ca 0.04 0.24 -0.49 0.00 -0.16 0.00 0.00 57.90 57.54 3lxr n TYR 74 Cb 0.47 -0.96 -0.04 0.00 -0.31 0.00 0.00 39.34 38.49 3lxr n TYR 74 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3lxr n PRO 75 N -2.73 1.05 -1.88 -0.72 -0.02 -1.26 -2.54 135.00 126.90 3lxr n PRO 75 Ca -0.08 0.37 -0.13 0.00 -2.02 0.00 0.00 63.50 61.64 3lxr n PRO 75 Cb 0.75 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 3lxr n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3lxr n ASP 76 N 1.94 -4.30 -4.74 2.55 9.92 -1.26 -4.97 116.55 115.68 3lxr n ASP 76 Ca 0.15 0.13 -0.41 0.00 -0.53 0.00 0.00 54.79 54.14 3lxr n ASP 76 Cb 0.24 -3.27 -0.04 0.00 -0.64 0.00 0.00 41.12 37.41 3lxr n ASP 76 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3lxr s THR 77 N -2.58 3.88 -0.16 -3.53 2.01 -1.05 -4.61 115.64 109.59 3lxr s THR 77 Ca 0.00 1.72 0.18 0.00 0.31 0.00 0.00 61.69 63.90 3lxr s THR 77 Cb 0.00 -4.10 -0.25 0.00 0.01 0.00 0.00 72.50 68.16 3lxr s THR 77 CO 0.00 0.34 0.13 0.47 -0.69 0.00 0.00 174.62 174.87 3lxr n ASP 78 N 1.98 0.23 -3.70 3.53 8.00 0.18 -4.93 116.55 121.85 3lxr n ASP 78 Ca 0.01 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 3lxr n ASP 78 Cb 0.46 1.13 -0.09 0.00 -0.02 0.00 0.00 41.12 42.61 3lxr n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3lxr s VAL 79 N -2.63 0.01 -0.11 2.53 0.11 -0.91 -4.29 120.40 115.11 3lxr s VAL 79 Ca -0.09 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3lxr s VAL 79 Cb 0.07 -0.70 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 3lxr s VAL 79 CO 0.80 -0.05 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.81 3lxr s ILE 80 N -0.22 3.54 -0.31 7.04 -1.09 -0.47 -2.00 121.20 127.68 3lxr s ILE 80 Ca -0.04 -0.51 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 3lxr s ILE 80 Cb -0.03 -2.49 -0.02 0.00 -1.58 0.00 0.00 42.46 38.34 3lxr s ILE 80 CO 0.02 0.54 0.17 -0.76 -1.23 0.00 0.00 174.94 173.69 3lxr s LEU 81 N -0.09 4.17 -0.30 2.97 1.43 -0.20 -0.97 118.68 125.69 3lxr s LEU 81 Ca 0.00 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 3lxr s LEU 81 Cb -0.13 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3lxr s LEU 81 CO 0.03 -0.18 0.09 -0.32 0.23 0.00 0.00 176.35 176.20 3lxr s MET 82 N 1.66 3.11 0.11 1.70 1.75 0.10 -1.05 119.30 126.67 3lxr s MET 82 Ca 0.05 -0.85 0.06 0.00 -1.25 0.00 0.00 55.69 53.70 3lxr s MET 82 Cb -0.17 -3.40 -0.04 0.00 2.84 0.00 0.00 34.83 34.06 3lxr s MET 82 CO 0.08 -0.45 -0.03 0.00 -0.65 0.00 0.00 175.02 173.97 3lxr s PHE 84 N -1.34 1.52 -0.12 0.00 -0.12 -0.55 -4.17 117.98 113.21 3lxr s PHE 84 Ca 0.25 -1.34 -0.04 0.00 -0.05 0.00 0.00 56.93 55.75 3lxr s PHE 84 Cb -0.11 -0.81 -0.03 0.00 -0.63 0.00 0.00 43.02 41.43 3lxr s PHE 84 CO 0.17 -0.51 0.03 0.45 -0.05 0.00 0.00 175.22 175.31 3lxr s SER 85 N -3.32 5.43 0.60 1.98 0.15 -1.26 -0.61 113.70 116.66 3lxr s SER 85 Ca 0.37 0.15 0.35 0.00 0.70 0.00 0.00 55.95 57.52 3lxr s SER 85 Cb 0.06 -1.68 1.90 0.00 -1.71 0.00 0.00 66.02 64.58 3lxr s SER 85 CO 0.16 0.32 2.22 0.40 1.20 0.00 0.00 173.24 177.54 3lxr h ILE 86 N 4.38 0.28 -0.33 6.45 2.04 -1.05 -0.23 117.51 129.06 3lxr h ILE 86 Ca -0.47 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3lxr h ILE 86 Cb 1.19 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3lxr h ILE 86 CO 0.59 0.03 0.00 -0.90 0.00 0.00 0.00 178.15 177.87 3lxr n ASP 87 N -3.42 2.29 -3.47 1.72 5.75 -1.26 -1.02 116.55 117.14 3lxr n ASP 87 Ca -0.02 -2.13 -0.28 0.00 -0.01 0.00 0.00 54.79 52.34 3lxr n ASP 87 Cb 0.15 -0.34 -0.12 0.00 -1.03 0.00 0.00 41.12 39.78 3lxr n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3lxr s SER 88 N -0.81 2.62 0.52 -1.12 0.15 -0.10 -4.94 113.70 110.03 3lxr s SER 88 Ca 0.24 -2.48 0.18 0.00 0.70 0.00 0.00 55.95 54.59 3lxr s SER 88 Cb 0.14 -0.47 1.31 0.00 -1.71 0.00 0.00 66.02 65.29 3lxr s SER 88 CO 0.13 -0.27 2.12 -0.65 1.20 0.00 0.00 173.24 175.78 3lxr h PRO 89 N 6.59 0.00 -0.32 5.44 0.11 -1.81 -1.29 132.00 140.72 3lxr h PRO 89 Ca 0.11 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.19 3lxr h PRO 89 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3lxr h PRO 89 CO 0.31 0.00 0.05 -0.44 -0.21 0.00 0.00 178.00 177.71 3lxr h ASP 90 N 0.00 0.43 0.52 -2.05 3.32 -1.93 -1.78 116.42 114.93 3lxr h ASP 90 Ca 0.04 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.95 3lxr h ASP 90 Cb 0.18 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3lxr h ASP 90 CO -0.00 0.46 -0.39 0.77 -1.72 0.00 0.00 179.24 178.35 3lxr h SER 91 N 0.46 0.00 -0.29 6.45 4.64 -1.56 -2.58 113.55 120.68 3lxr h SER 91 Ca 0.11 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 3lxr h SER 91 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3lxr h SER 91 CO 0.00 0.39 -0.40 0.25 -0.87 0.00 0.00 176.83 176.21 3lxr h LEU 92 N 0.00 0.89 -1.61 5.97 5.85 -1.22 -2.98 115.31 122.22 3lxr h LEU 92 Ca -0.00 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3lxr h LEU 92 Cb 0.76 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3lxr h LEU 92 CO 0.05 1.18 0.22 -0.33 -0.34 0.00 0.00 178.44 179.22 3lxr h GLU 93 N 0.68 0.48 0.00 1.25 5.08 -0.95 -0.96 114.58 120.17 3lxr h GLU 93 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3lxr h GLU 93 Cb 0.97 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3lxr h GLU 93 CO 0.09 0.34 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 3lxr n ASN 94 N -4.47 0.00 0.17 1.42 3.02 -1.13 -3.14 115.26 111.13 3lxr n ASN 94 Ca 0.02 0.45 -0.14 0.00 -0.03 0.00 0.00 54.58 54.88 3lxr n ASN 94 Cb 0.07 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 3lxr n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3lxr h ILE 95 N 0.00 0.74 0.00 2.41 1.08 -1.20 -0.32 117.51 120.22 3lxr h ILE 95 Ca 0.00 -0.11 -0.18 0.00 -0.39 0.00 0.00 64.86 64.18 3lxr h ILE 95 Cb 0.42 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3lxr h ILE 95 CO 0.00 0.02 -0.89 1.55 -0.69 0.00 0.00 178.15 178.14 3lxr h PRO 96 N -0.43 0.00 0.06 2.37 0.13 -1.73 0.48 132.00 132.88 3lxr h PRO 96 Ca -0.04 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.85 3lxr h PRO 96 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3lxr h PRO 96 CO 0.06 0.84 -1.07 0.93 -0.23 0.00 0.00 178.00 178.54 3lxr h GLU 97 N 0.00 0.30 0.00 0.86 4.39 -1.54 -3.40 114.58 115.19 3lxr h GLU 97 Ca -0.02 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3lxr h GLU 97 Cb 1.67 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 3lxr h GLU 97 CO 0.11 1.13 -0.52 1.17 -1.16 0.00 0.00 179.01 179.74 3lxr n LYS 98 N -3.63 0.00 0.09 2.33 4.81 -0.23 -4.83 118.16 116.70 3lxr n LYS 98 Ca -0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.15 3lxr n LYS 98 Cb 0.92 -0.32 -0.15 0.00 0.02 0.00 0.00 35.03 35.50 3lxr n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 3lxr h TRP 99 N 0.00 0.77 0.05 5.64 4.06 -1.23 -3.09 115.95 122.14 3lxr h TRP 99 Ca 0.00 -0.55 -0.00 0.00 2.06 0.00 0.00 58.89 60.39 3lxr h TRP 99 Cb 0.52 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 3lxr h TRP 99 CO 0.00 1.43 -0.02 1.15 -3.56 0.00 0.00 178.44 177.43 3lxr h THR 100 N -0.10 1.07 -0.98 1.49 2.02 -1.13 -0.95 112.91 114.34 3lxr h THR 100 Ca -0.19 -0.40 0.09 0.00 0.77 0.00 0.00 66.41 66.68 3lxr h THR 100 Cb 1.88 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 69.55 3lxr h THR 100 CO 0.21 0.10 0.62 -0.65 0.37 0.00 0.00 175.52 176.17 3lxr h PRO 101 N -0.24 1.01 -0.02 6.66 0.11 -1.77 0.14 132.00 137.89 3lxr h PRO 101 Ca -0.01 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3lxr h PRO 101 Cb 0.21 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3lxr h PRO 101 CO 0.01 0.67 -0.00 1.49 -0.21 0.00 0.00 178.00 179.96 3lxr h GLU 102 N 1.04 0.03 -0.56 1.05 4.81 -1.42 -1.55 114.58 117.98 3lxr h GLU 102 Ca 0.46 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.64 3lxr h GLU 102 Cb 0.34 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3lxr h GLU 102 CO -0.22 0.33 0.20 0.28 -0.73 0.00 0.00 179.01 178.87 3lxr h VAL 103 N -0.28 1.23 -0.10 0.32 2.07 -0.96 -1.33 116.25 117.21 3lxr h VAL 103 Ca 0.00 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3lxr h VAL 103 Cb 0.32 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3lxr h VAL 103 CO 0.00 0.28 -0.17 0.11 0.02 0.00 0.00 177.57 177.81 3lxr h LYS 104 N 0.78 0.16 0.12 1.57 1.57 -0.94 0.30 116.57 120.12 3lxr h LYS 104 Ca 0.18 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3lxr h LYS 104 Cb 0.24 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3lxr h LYS 104 CO -0.01 0.34 -0.06 1.25 -0.57 0.00 0.00 179.45 180.40 3lxr h HIS 105 N 0.15 -0.15 0.00 -1.35 2.76 -0.89 -3.24 115.15 112.43 3lxr h HIS 105 Ca 0.03 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3lxr h HIS 105 Cb 0.40 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.41 3lxr h HIS 105 CO 0.00 0.33 -0.40 0.74 -1.30 0.00 0.00 177.93 177.30 3lxr h PHE 106 N -0.77 0.00 -2.15 5.26 0.04 -1.17 -3.37 116.94 114.77 3lxr h PHE 106 Ca -0.02 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.21 3lxr h PHE 106 Cb 0.55 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.29 3lxr h PHE 106 CO 0.10 0.00 -0.90 0.00 -0.60 0.00 0.00 178.31 176.90 3lxr s PRO 108 N -2.94 4.24 -0.15 0.00 0.04 -1.22 -2.02 135.00 132.96 3lxr s PRO 108 Ca 0.44 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.85 3lxr s PRO 108 Cb 0.31 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.77 3lxr s PRO 108 CO -0.11 -0.43 0.00 0.09 0.04 0.00 0.00 177.00 176.59 3lxr n ASN 109 N 1.87 -4.78 -4.72 6.66 4.13 -1.26 -4.99 115.26 112.17 3lxr n ASN 109 Ca 0.05 0.03 -0.40 0.00 1.68 0.00 0.00 54.58 55.94 3lxr n ASN 109 Cb 0.40 -2.40 -0.04 0.00 -1.54 0.00 0.00 39.78 36.20 3lxr n ASN 109 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3lxr s VAL 110 N -1.51 4.90 0.41 2.41 1.01 -0.86 -5.04 120.40 121.72 3lxr s VAL 110 Ca 0.00 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.36 3lxr s VAL 110 Cb 0.00 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3lxr s VAL 110 CO 0.00 0.27 1.34 -2.16 0.00 0.00 0.00 175.10 174.56 3lxr s PRO 111 N 0.54 3.92 -0.14 2.72 0.04 -1.26 -4.84 135.00 135.98 3lxr s PRO 111 Ca 0.41 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3lxr s PRO 111 Cb -0.19 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 3lxr s PRO 111 CO 0.22 -0.57 -0.14 0.42 0.04 0.00 0.00 177.00 176.97 3lxr s ILE 112 N -1.24 2.87 -0.26 0.56 1.01 -1.26 -1.37 121.20 121.52 3lxr s ILE 112 Ca 0.57 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 3lxr s ILE 112 Cb -0.40 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3lxr s ILE 112 CO 0.52 0.52 0.14 -0.63 0.00 0.00 0.00 174.94 175.49 3lxr s ILE 113 N 0.54 5.04 -0.14 2.92 -1.09 -0.14 -0.04 121.20 128.28 3lxr s ILE 113 Ca -0.09 0.07 -0.26 0.00 -2.23 0.00 0.00 60.65 58.14 3lxr s ILE 113 Cb -0.16 -3.37 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 3lxr s ILE 113 CO 0.04 0.31 0.87 -0.22 -1.23 0.00 0.00 174.94 174.71 3lxr s LEU 114 N 1.47 4.20 -0.11 2.97 2.96 -0.69 -0.72 118.68 128.76 3lxr s LEU 114 Ca 0.07 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 3lxr s LEU 114 Cb -0.15 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3lxr s LEU 114 CO 0.07 -0.40 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.80 3lxr s VAL 115 N 2.03 1.93 -0.37 1.68 1.01 0.43 -1.35 120.40 125.77 3lxr s VAL 115 Ca 0.41 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3lxr s VAL 115 Cb -0.17 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.51 3lxr s VAL 115 CO 0.14 0.53 0.38 -0.83 0.00 0.00 0.00 175.10 175.32 3lxr s GLY 116 N 0.61 1.91 0.56 4.51 0.00 -0.35 -1.48 107.32 113.08 3lxr s GLY 116 Ca -0.13 -1.32 -0.05 0.00 0.00 0.00 0.00 44.72 43.22 3lxr s GLY 116 CO 0.03 1.03 0.86 -1.31 0.00 0.00 0.00 173.10 173.71 3lxr s ASN 117 N 1.75 5.70 -1.07 1.64 0.01 0.22 -1.04 114.94 122.15 3lxr s ASN 117 Ca 0.11 0.68 -0.07 0.00 -0.71 0.00 0.00 52.86 52.88 3lxr s ASN 117 Cb -0.17 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 39.75 3lxr s ASN 117 CO 0.12 -0.96 0.89 0.29 -1.51 0.00 0.00 177.10 175.93 3lxr n LYS 118 N -2.48 -6.03 0.08 -0.60 5.02 -0.85 -0.51 118.16 112.79 3lxr n LYS 118 Ca 0.04 0.65 0.17 0.00 -2.02 0.00 0.00 58.31 57.15 3lxr n LYS 118 Cb 0.57 -5.13 0.69 0.00 -0.02 0.00 0.00 35.03 31.14 3lxr n LYS 118 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3lxr h LYS 119 N -2.03 0.00 0.00 1.97 3.64 -1.44 -1.21 116.57 117.51 3lxr h LYS 119 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3lxr h LYS 119 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3lxr h LYS 119 CO 0.44 0.00 0.10 0.38 -2.27 0.00 0.00 179.45 178.10 3lxr h ASP 120 N 0.00 0.00 0.55 4.20 2.03 -1.90 -2.16 116.42 119.14 3lxr h ASP 120 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 3lxr h ASP 120 Cb 0.72 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.22 3lxr h ASP 120 CO -0.00 0.00 -0.53 0.18 -1.03 0.00 0.00 179.24 177.86 3lxr n LEU 121 N -2.83 0.52 -0.20 0.15 4.77 -0.45 -4.21 117.00 114.74 3lxr n LEU 121 Ca -0.02 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 3lxr n LEU 121 Cb 0.16 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3lxr n LEU 121 CO 0.16 0.10 1.05 -0.09 -1.33 0.00 0.00 177.39 177.27 3lxr h ARG 122 N 0.00 0.55 -0.60 3.23 2.43 -1.54 -2.35 114.38 116.10 3lxr h ARG 122 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3lxr h ARG 122 Cb 0.54 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3lxr h ARG 122 CO 0.00 0.36 0.00 0.09 -1.51 0.00 0.00 179.97 178.91 3lxr n ASN 123 N -4.86 4.74 -4.68 -3.80 3.02 -1.26 -4.85 115.26 103.56 3lxr n ASN 123 Ca 0.07 -2.52 -0.43 0.00 -0.03 0.00 0.00 54.58 51.67 3lxr n ASN 123 Cb 0.18 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 3lxr n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3lxr s ASP 124 N -0.98 7.17 0.21 6.41 -1.08 -0.89 -4.94 116.67 122.57 3lxr s ASP 124 Ca 0.50 1.58 -0.07 0.00 -0.52 0.00 0.00 52.55 54.04 3lxr s ASP 124 Cb 0.33 -2.55 0.15 0.00 -1.46 0.00 0.00 42.92 39.38 3lxr s ASP 124 CO 0.22 -0.52 1.68 -0.33 0.52 0.00 0.00 175.17 176.74 3lxr h GLU 125 N 7.26 1.00 -0.37 4.34 4.39 -1.93 -1.66 114.58 127.61 3lxr h GLU 125 Ca -0.30 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.15 3lxr h GLU 125 Cb 1.14 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.64 3lxr h GLU 125 CO 0.88 0.98 0.08 1.25 -1.16 0.00 0.00 179.01 181.04 3lxr h HIS 126 N 0.91 0.14 -0.57 4.33 2.76 -1.96 -1.16 115.15 119.61 3lxr h HIS 126 Ca 0.17 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.40 3lxr h HIS 126 Cb 0.53 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 3lxr h HIS 126 CO 0.03 0.03 0.32 1.15 -1.30 0.00 0.00 177.93 178.17 3lxr h THR 127 N 0.21 1.01 -0.55 6.26 2.02 -1.81 0.61 112.91 120.66 3lxr h THR 127 Ca 0.17 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3lxr h THR 127 Cb 0.19 0.33 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 3lxr h THR 127 CO -0.22 0.11 0.30 0.03 0.37 0.00 0.00 175.52 176.12 3lxr h ARG 128 N 0.62 0.77 -0.35 6.66 3.08 -0.94 -0.70 114.38 123.54 3lxr h ARG 128 Ca 0.24 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 3lxr h ARG 128 Cb 0.10 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3lxr h ARG 128 CO -0.14 0.59 0.10 0.00 -1.07 0.00 0.00 179.97 179.45 3lxr h ARG 129 N 0.74 0.54 -0.37 0.04 3.08 -0.74 -0.79 114.38 116.89 3lxr h ARG 129 Ca 0.20 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3lxr h ARG 129 Cb 0.05 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3lxr h ARG 129 CO -0.03 0.58 0.07 1.49 -1.07 0.00 0.00 179.97 181.01 3lxr h GLU 130 N 0.40 0.60 -0.28 0.04 4.57 -0.69 -1.87 114.58 117.35 3lxr h GLU 130 Ca 0.11 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3lxr h GLU 130 Cb 0.27 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 3lxr h GLU 130 CO -0.00 0.66 -0.15 -0.07 -1.18 0.00 0.00 179.01 178.27 3lxr h LEU 131 N 0.45 0.47 -1.16 1.64 3.38 -1.05 -2.72 115.31 116.32 3lxr h LEU 131 Ca 0.11 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3lxr h LEU 131 Cb 0.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3lxr h LEU 131 CO 0.01 0.65 -0.29 0.00 0.09 0.00 0.00 178.44 178.89 3lxr h ALA 132 N 1.40 1.30 -0.95 1.53 0.00 -0.63 0.38 119.26 122.30 3lxr h ALA 132 Ca 0.08 -0.32 0.19 0.00 0.00 0.00 0.00 54.91 54.86 3lxr h ALA 132 Cb 0.52 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3lxr h ALA 132 CO 0.03 0.48 0.61 0.87 0.00 0.00 0.00 179.25 181.24 3lxr h LYS 133 N 0.19 0.56 -0.42 0.00 1.57 -1.02 -1.18 116.57 116.27 3lxr h LYS 133 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3lxr h LYS 133 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3lxr h LYS 133 CO 0.04 0.37 0.00 -1.33 -0.57 0.00 0.00 179.45 177.97 3lxr n MET 134 N -4.61 2.15 -3.45 3.15 2.81 -0.41 -4.92 117.12 111.83 3lxr n MET 134 Ca 0.21 -1.77 -0.21 0.00 -1.81 0.00 0.00 57.70 54.12 3lxr n MET 134 Cb 0.63 -1.42 0.07 0.00 -0.71 0.00 0.00 33.22 31.79 3lxr n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3lxr n LYS 135 N 0.95 -6.98 -4.47 0.03 5.02 -0.45 -5.01 118.16 107.25 3lxr n LYS 135 Ca 0.17 0.74 -0.23 0.00 -2.02 0.00 0.00 58.31 56.97 3lxr n LYS 135 Cb 0.44 -5.50 -0.09 0.00 -0.02 0.00 0.00 35.03 29.86 3lxr n LYS 135 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3lxr s GLN 136 N -6.07 1.78 0.20 1.97 -0.21 -0.01 -5.00 119.66 112.31 3lxr s GLN 136 Ca 0.47 -2.04 -0.16 0.00 0.02 0.00 0.00 55.36 53.65 3lxr s GLN 136 Cb -0.21 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.14 3lxr s GLN 136 CO 0.65 -0.35 0.49 -1.83 -2.12 0.00 0.00 175.29 172.13 3lxr s GLU 137 N -3.81 1.37 0.61 2.91 -1.05 -1.26 -3.19 118.70 114.28 3lxr s GLU 137 Ca 0.30 -0.93 -0.19 0.00 -0.15 0.00 0.00 54.97 53.99 3lxr s GLU 137 Cb 0.05 0.50 -0.02 0.00 -0.44 0.00 0.00 34.13 34.22 3lxr s GLU 137 CO 0.15 -0.57 1.31 -2.14 0.95 0.00 0.00 175.26 174.95 3lxr s PRO 138 N -3.90 2.75 0.12 -4.83 0.02 -1.26 -4.60 135.00 123.30 3lxr s PRO 138 Ca 0.11 2.10 -0.31 0.00 0.02 0.00 0.00 61.00 62.92 3lxr s PRO 138 Cb -0.01 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3lxr s PRO 138 CO -0.02 -1.46 1.77 0.08 -0.33 0.00 0.00 177.00 177.05 3lxr s VAL 139 N -1.38 2.60 0.51 3.83 1.01 -0.19 -5.01 120.40 121.77 3lxr s VAL 139 Ca 0.79 0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.73 3lxr s VAL 139 Cb -0.38 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 3lxr s VAL 139 CO 0.42 0.00 1.06 -0.54 0.00 0.00 0.00 175.10 176.03 3lxr s LYS 140 N 2.51 3.67 0.40 2.72 1.02 -1.26 -4.96 119.74 123.84 3lxr s LYS 140 Ca 0.78 1.38 0.10 0.00 0.02 0.00 0.00 55.97 58.26 3lxr s LYS 140 Cb -0.45 -2.07 0.83 0.00 -0.52 0.00 0.00 37.83 35.62 3lxr s LYS 140 CO 0.35 -0.54 1.94 -1.35 -0.92 0.00 0.00 175.35 174.83 3lxr h PRO 141 N 1.37 0.22 -0.02 -1.68 0.11 -2.00 -0.34 132.00 129.66 3lxr h PRO 141 Ca -0.49 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3lxr h PRO 141 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3lxr h PRO 141 CO 0.58 0.34 -0.21 0.93 -0.21 0.00 0.00 178.00 179.43 3lxr h GLU 142 N 0.21 0.03 -0.21 1.05 3.07 -1.99 -1.73 114.58 115.00 3lxr h GLU 142 Ca 0.04 -0.01 -0.19 0.00 -0.50 0.00 0.00 59.36 58.70 3lxr h GLU 142 Cb 0.33 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3lxr h GLU 142 CO 0.02 0.24 -0.64 1.49 -1.40 0.00 0.00 179.01 178.72 3lxr h GLU 143 N 0.03 0.75 -0.37 2.33 4.81 -1.46 -0.76 114.58 119.90 3lxr h GLU 143 Ca 0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 3lxr h GLU 143 Cb 0.38 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3lxr h GLU 143 CO 0.03 1.15 0.17 0.78 -0.73 0.00 0.00 179.01 180.41 3lxr h GLY 144 N 0.78 0.59 1.07 1.92 0.00 -1.04 -1.43 103.07 104.96 3lxr h GLY 144 Ca -0.01 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 3lxr h GLY 144 CO 0.13 0.29 0.09 -0.09 0.00 0.00 0.00 176.54 176.96 3lxr h ARG 145 N 0.46 1.11 -0.61 4.80 2.43 -1.24 -1.30 114.38 120.05 3lxr h ARG 145 Ca 0.13 -0.31 0.08 0.00 -0.81 0.00 0.00 59.98 59.07 3lxr h ARG 145 Cb 0.14 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 3lxr h ARG 145 CO -0.01 1.02 0.27 0.22 -1.51 0.00 0.00 179.97 179.96 3lxr h ASP 146 N 1.03 0.32 -0.69 -3.80 1.82 -0.99 -1.55 116.42 112.56 3lxr h ASP 146 Ca 0.20 0.06 -0.05 0.00 -0.39 0.00 0.00 57.03 56.85 3lxr h ASP 146 Cb 0.46 0.01 -0.03 0.00 0.68 0.00 0.00 39.33 40.45 3lxr h ASP 146 CO 0.02 0.20 0.25 -0.03 -1.61 0.00 0.00 179.24 178.06 3lxr h MET 147 N 0.48 1.05 -0.98 0.28 4.05 -0.60 -1.16 114.93 118.05 3lxr h MET 147 Ca 0.29 -0.21 0.06 0.00 -0.28 0.00 0.00 59.70 59.56 3lxr h MET 147 Cb 0.30 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.88 3lxr h MET 147 CO -0.26 0.89 0.64 0.00 0.23 0.00 0.00 176.91 178.41 3lxr h ALA 148 N 1.11 1.42 -0.30 0.39 0.00 -0.87 0.52 119.26 121.52 3lxr h ALA 148 Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3lxr h ALA 148 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3lxr h ALA 148 CO -0.01 0.45 0.02 -0.91 0.00 0.00 0.00 179.25 178.80 3lxr h ASN 149 N 1.16 0.51 -0.58 0.00 -0.26 -0.82 -0.81 115.58 114.78 3lxr h ASN 149 Ca 0.42 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.81 3lxr h ASN 149 Cb 0.14 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 3lxr h ASN 149 CO -0.16 0.67 0.16 -0.09 -1.06 0.00 0.00 177.43 176.96 3lxr h ARG 150 N 0.33 0.96 -0.00 0.81 2.43 -0.32 -2.42 114.38 116.16 3lxr h ARG 150 Ca 0.09 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3lxr h ARG 150 Cb 0.40 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3lxr h ARG 150 CO 0.01 0.84 -0.27 0.44 -1.51 0.00 0.00 179.97 179.48 3lxr n ILE 151 N -4.26 0.00 -2.14 1.20 -5.35 0.09 -4.93 119.36 103.96 3lxr n ILE 151 Ca 0.05 -0.06 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 3lxr n ILE 151 Cb 0.23 0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3lxr n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lxr n GLY 152 N 1.38 0.39 3.74 3.28 0.00 -0.89 -5.02 105.19 108.07 3lxr n GLY 152 Ca 0.10 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 3lxr n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lxr s ALA 153 N -2.27 2.46 0.32 4.61 0.00 -0.36 -4.80 121.76 121.72 3lxr s ALA 153 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.18 3lxr s ALA 153 Cb -0.00 -3.54 0.52 0.00 0.00 0.00 0.00 23.12 20.09 3lxr s ALA 153 CO 0.01 -1.51 1.94 0.35 0.00 0.00 0.00 175.76 176.55 3lxr h PHE 154 N 0.72 0.85 -2.18 0.00 3.57 -0.79 -3.47 116.94 115.64 3lxr h PHE 154 Ca -0.51 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.16 3lxr h PHE 154 Cb 1.33 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.70 3lxr h PHE 154 CO 0.43 0.60 0.54 0.20 -2.23 0.00 0.00 178.31 177.85 3lxr s GLY 155 N -3.51 -0.30 -0.07 2.40 0.00 -1.25 -5.05 107.32 99.55 3lxr s GLY 155 Ca -0.10 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.04 3lxr s GLY 155 CO 0.78 0.08 -0.20 -0.47 0.00 0.00 0.00 173.10 173.30 3lxr s TYR 156 N -3.12 2.08 0.04 1.90 5.04 -1.26 -1.70 117.35 120.32 3lxr s TYR 156 Ca 0.11 -0.73 0.02 0.00 -2.44 0.00 0.00 57.07 54.03 3lxr s TYR 156 Cb -0.00 -1.40 -0.02 0.00 0.35 0.00 0.00 41.96 40.88 3lxr s TYR 156 CO -0.01 -0.28 -0.07 -1.64 -1.34 0.00 0.00 175.55 172.21 3lxr s MET 157 N 0.24 0.50 0.06 4.97 -1.94 -0.46 -4.99 119.30 117.68 3lxr s MET 157 Ca -0.11 -0.69 0.08 0.00 -1.71 0.00 0.00 55.69 53.25 3lxr s MET 157 Cb -0.15 -0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.38 3lxr s MET 157 CO 0.05 0.05 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.72 3lxr s GLU 158 N -1.42 2.00 0.22 2.03 2.02 -1.26 -1.21 118.70 121.07 3lxr s GLU 158 Ca -0.09 -1.03 -0.12 0.00 0.02 0.00 0.00 54.97 53.74 3lxr s GLU 158 Cb -0.09 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.96 3lxr s GLU 158 CO 0.00 0.52 0.43 0.00 0.02 0.00 0.00 175.26 176.24 3lxr s SER 160 N -2.99 3.13 0.50 0.00 0.15 -0.14 -1.35 113.70 113.00 3lxr s SER 160 Ca 0.20 -0.86 0.15 0.00 0.70 0.00 0.00 55.95 56.14 3lxr s SER 160 Cb 0.00 -0.86 1.21 0.00 -1.71 0.00 0.00 66.02 64.66 3lxr s SER 160 CO 0.06 -0.25 2.12 0.00 1.20 0.00 0.00 173.24 176.38 3lxr h ALA 161 N 8.12 1.94 -0.25 5.45 0.00 -1.91 0.16 119.26 132.78 3lxr h ALA 161 Ca -0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3lxr h ALA 161 Cb 1.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3lxr h ALA 161 CO 0.37 0.05 -0.06 -0.22 0.00 0.00 0.00 179.25 179.40 3lxr h LYS 162 N 0.05 0.47 -0.00 0.00 3.64 -1.94 -3.08 116.57 115.70 3lxr h LYS 162 Ca 0.01 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 3lxr h LYS 162 Cb 0.03 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3lxr h LYS 162 CO 0.00 0.69 -0.66 0.25 -2.27 0.00 0.00 179.45 177.46 3lxr n THR 163 N -4.56 0.00 -0.17 1.00 -2.24 -1.19 -4.83 114.28 102.29 3lxr n THR 163 Ca -0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3lxr n THR 163 Cb 0.29 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3lxr n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lxr n LYS 164 N -1.25 0.00 -1.77 -0.78 5.02 0.56 -5.00 118.16 114.93 3lxr n LYS 164 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 3lxr n LYS 164 Cb 0.35 -2.49 -0.03 0.00 -0.02 0.00 0.00 35.03 32.83 3lxr n LYS 164 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3lxr s ASP 165 N -3.20 6.47 0.00 4.39 1.01 -1.17 -2.00 116.67 122.16 3lxr s ASP 165 Ca 0.00 2.69 0.00 0.00 0.71 0.00 0.00 52.55 55.95 3lxr s ASP 165 Cb 0.00 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.36 3lxr s ASP 165 CO 0.00 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.02 3lxr n GLY 166 N 4.16 1.89 0.05 0.21 0.00 -1.26 -0.97 105.19 109.28 3lxr n GLY 166 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 3lxr n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lxr h VAL 167 N 0.00 1.19 -0.98 1.61 2.07 -1.69 -1.41 116.25 117.03 3lxr h VAL 167 Ca 0.00 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3lxr h VAL 167 Cb 0.00 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.25 3lxr h VAL 167 CO 0.00 0.14 0.63 -0.09 0.02 0.00 0.00 177.57 178.27 3lxr h ARG 168 N -0.22 1.06 -0.22 1.57 2.43 -1.93 -2.18 114.38 114.89 3lxr h ARG 168 Ca 0.00 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 3lxr h ARG 168 Cb 0.24 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3lxr h ARG 168 CO 0.00 0.70 -0.35 0.93 -1.51 0.00 0.00 179.97 179.74 3lxr h GLU 169 N 1.09 0.47 0.06 0.20 3.07 -1.88 0.79 114.58 118.38 3lxr h GLU 169 Ca 0.44 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 59.09 3lxr h GLU 169 Cb 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3lxr h GLU 169 CO -0.19 0.76 -0.07 0.28 -1.40 0.00 0.00 179.01 178.39 3lxr h VAL 170 N 0.40 0.84 -0.01 3.13 2.07 -0.62 -0.98 116.25 121.07 3lxr h VAL 170 Ca 0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 3lxr h VAL 170 Cb 0.80 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3lxr h VAL 170 CO 0.06 0.00 -0.66 -0.26 0.02 0.00 0.00 177.57 176.74 3lxr h PHE 171 N -0.15 0.07 -0.51 1.57 -1.00 -1.19 -0.37 116.94 115.36 3lxr h PHE 171 Ca 0.01 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 3lxr h PHE 171 Cb 0.15 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 3lxr h PHE 171 CO -0.11 0.70 0.17 0.93 -1.61 0.00 0.00 178.31 178.39 3lxr h GLU 172 N 0.04 0.78 -0.30 1.51 5.08 -0.81 -0.34 114.58 120.53 3lxr h GLU 172 Ca -0.01 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3lxr h GLU 172 Cb 1.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3lxr h GLU 172 CO 0.09 0.71 0.18 1.98 -1.00 0.00 0.00 179.01 180.97 3lxr h MET 173 N 0.68 0.41 -0.65 2.33 4.05 -0.98 -0.27 114.93 120.51 3lxr h MET 173 Ca 0.17 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3lxr h MET 173 Cb 0.25 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 3lxr h MET 173 CO -0.01 0.32 0.35 0.00 0.23 0.00 0.00 176.91 177.80 3lxr h ALA 174 N 1.06 1.40 -0.25 0.39 0.00 -0.91 0.33 119.26 121.27 3lxr h ALA 174 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3lxr h ALA 174 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3lxr h ALA 174 CO -0.02 0.49 -0.17 1.15 0.00 0.00 0.00 179.25 180.71 3lxr h THR 175 N 0.90 1.31 -0.90 0.00 2.02 -0.64 -0.53 112.91 115.07 3lxr h THR 175 Ca 0.23 -1.29 0.08 0.00 0.77 0.00 0.00 66.41 66.20 3lxr h THR 175 Cb 0.03 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.99 3lxr h THR 175 CO -0.04 0.40 0.55 0.03 0.37 0.00 0.00 175.52 176.84 3lxr h ARG 176 N 0.26 0.94 -0.57 6.66 3.08 -0.53 -0.66 114.38 123.56 3lxr h ARG 176 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3lxr h ARG 176 Cb 0.69 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3lxr h ARG 176 CO 0.05 0.62 0.18 0.00 -1.07 0.00 0.00 179.97 179.75 3lxr h ALA 177 N 1.45 0.74 -0.37 0.04 0.00 -0.71 -2.22 119.26 118.20 3lxr h ALA 177 Ca 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3lxr h ALA 177 Cb 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3lxr h ALA 177 CO -0.21 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.51 3lxr h ALA 178 N 1.05 1.43 0.00 0.00 0.00 -0.48 -2.12 119.26 119.13 3lxr h ALA 178 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lxr h ALA 178 Cb 0.27 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3lxr h ALA 178 CO -0.01 0.41 0.00 -0.07 0.00 0.00 0.00 179.25 179.59 3lxr h LEU 179 N 0.53 0.00 -9.74 0.00 3.38 -0.61 -3.46 115.31 105.42 3lxr h LEU 179 Ca 0.12 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.57 3lxr h LEU 179 Cb 0.25 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.03 3lxr h LEU 179 CO 0.00 0.00 0.62 -1.58 0.09 0.00 0.00 178.44 177.58 3lxr s GLN 180 N -3.12 4.41 0.00 1.13 0.74 -0.80 -5.09 119.66 116.94 3lxr s GLN 180 Ca 0.10 2.05 0.14 0.00 0.05 0.00 0.00 55.36 57.71 3lxr s GLN 180 Cb 0.11 -3.17 0.11 0.00 1.10 0.00 0.00 33.01 31.17 3lxr s GLN 180 CO 0.60 -0.18 0.96 0.00 -0.55 0.00 0.00 175.29 176.12