#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lhj s VAL 2 N 0.00 4.67 0.52 3.15 1.01 -1.26 -0.90 120.40 127.58 1lhj s VAL 2 Ca 0.00 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.97 1lhj s VAL 2 Cb 0.00 -3.60 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1lhj s VAL 2 CO 0.00 -0.24 1.03 -0.36 0.00 0.00 0.00 175.10 175.52 1lhj s PHE 3 N 1.57 3.10 0.34 5.22 0.08 -0.32 -5.01 117.98 122.96 1lhj s PHE 3 Ca 0.02 1.54 -0.13 0.00 0.12 0.00 0.00 56.93 58.48 1lhj s PHE 3 Cb -0.19 -2.98 -0.08 0.00 -0.57 0.00 0.00 43.02 39.20 1lhj s PHE 3 CO 0.07 -0.79 0.73 -1.21 -0.10 0.00 0.00 175.22 173.93 1lhj s GLU 4 N -3.66 3.93 0.08 0.44 0.41 -1.26 -4.86 118.70 113.78 1lhj s GLU 4 Ca 0.64 0.59 -0.23 0.00 -0.41 0.00 0.00 54.97 55.56 1lhj s GLU 4 Cb -0.14 -2.43 -0.09 0.00 -1.78 0.00 0.00 34.13 29.69 1lhj s GLU 4 CO 0.27 0.11 1.38 -0.09 -0.49 0.00 0.00 175.26 176.44 1lhj h ARG 5 N 2.00 -0.37 -0.34 1.61 2.43 -1.96 -1.82 114.38 115.93 1lhj h ARG 5 Ca -0.48 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 1lhj h ARG 5 Cb 1.18 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.79 1lhj h ARG 5 CO 0.65 -0.24 0.10 0.00 -1.51 0.00 0.00 179.97 178.96 1lhj h GLU 7 N 0.49 0.52 -0.62 0.00 4.81 -1.89 -1.49 114.58 116.40 1lhj h GLU 7 Ca 0.12 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1lhj h GLU 7 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1lhj h GLU 7 CO -0.01 0.35 0.04 1.25 -0.73 0.00 0.00 179.01 179.92 1lhj h LEU 8 N 0.52 1.01 -0.56 1.64 5.85 -0.89 -1.50 115.31 121.37 1lhj h LEU 8 Ca 0.14 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1lhj h LEU 8 Cb -0.05 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 1lhj h LEU 8 CO -0.03 1.04 0.37 0.00 -0.34 0.00 0.00 178.44 179.48 1lhj h ALA 9 N 1.07 0.72 -0.35 1.25 0.00 -0.98 0.13 119.26 121.09 1lhj h ALA 9 Ca 0.18 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1lhj h ALA 9 Cb 0.50 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1lhj h ALA 9 CO 0.02 0.13 -0.28 0.00 0.00 0.00 0.00 179.25 179.12 1lhj h ARG 10 N 0.74 0.74 -0.36 0.00 3.08 -1.15 -0.87 114.38 116.56 1lhj h ARG 10 Ca 0.21 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1lhj h ARG 10 Cb -0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1lhj h ARG 10 CO -0.06 0.94 0.16 1.15 -1.07 0.00 0.00 179.97 181.09 1lhj h THR 11 N 0.63 1.18 -0.74 2.04 2.02 -0.49 -2.18 112.91 115.38 1lhj h THR 11 Ca 0.08 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 1lhj h THR 11 Cb 0.80 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1lhj h THR 11 CO 0.07 0.19 0.32 -0.07 0.37 0.00 0.00 175.52 176.40 1lhj h LEU 12 N 0.44 1.00 -0.65 2.58 3.38 -0.63 -2.47 115.31 118.95 1lhj h LEU 12 Ca 0.12 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1lhj h LEU 12 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1lhj h LEU 12 CO -0.01 0.88 0.31 0.50 0.09 0.00 0.00 178.44 180.20 1lhj h LYS 13 N 1.05 0.95 0.00 1.13 3.64 -0.97 -2.21 116.57 120.16 1lhj h LYS 13 Ca 0.25 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1lhj h LYS 13 Cb 0.17 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1lhj h LYS 13 CO -0.03 0.76 -0.13 0.00 -2.27 0.00 0.00 179.45 177.78 1lhj h ARG 14 N 0.91 0.00 -0.07 1.90 3.08 -1.13 -1.93 114.38 117.14 1lhj h ARG 14 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1lhj h ARG 14 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1lhj h ARG 14 CO -0.03 0.13 0.00 1.28 -1.07 0.00 0.00 179.97 180.29 1lhj n LEU 15 N -3.92 0.85 0.00 3.04 4.77 -0.88 -4.91 117.00 115.94 1lhj n LEU 15 Ca -0.02 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1lhj n LEU 15 Cb 0.23 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1lhj n LEU 15 CO 0.32 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1lhj n GLY 16 N 0.99 0.45 0.12 -0.72 0.00 -0.72 -4.97 105.19 100.33 1lhj n GLY 16 Ca 0.16 -0.91 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1lhj n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1lhj h MET 17 N 0.00 0.00 -6.38 1.61 2.86 -1.59 -3.40 114.93 108.03 1lhj h MET 17 Ca 0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1lhj h MET 17 Cb 0.59 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1lhj h MET 17 CO 0.00 0.00 1.19 0.34 1.06 0.00 0.00 176.91 179.50 1lhj s ASP 18 N -5.08 6.07 -0.01 1.22 2.15 -1.26 -2.52 116.67 117.23 1lhj s ASP 18 Ca 0.04 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.12 1lhj s ASP 18 Cb 0.10 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1lhj s ASP 18 CO 0.73 -1.60 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 1lhj n GLY 19 N 5.28 0.45 3.66 2.66 0.00 0.69 -4.90 105.19 113.04 1lhj n GLY 19 Ca 0.20 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1lhj n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lhj s TYR 20 N -2.00 1.55 -1.62 1.61 5.04 -1.05 -1.96 117.35 118.92 1lhj s TYR 20 Ca 0.00 -0.23 -0.17 0.00 -2.44 0.00 0.00 57.07 54.23 1lhj s TYR 20 Cb 0.00 -4.14 0.14 0.00 0.35 0.00 0.00 41.96 38.31 1lhj s TYR 20 CO 0.00 -5.00 0.80 0.54 -1.34 0.00 0.00 175.55 170.55 1lhj n ARG 21 N 7.27 -3.68 -1.01 4.97 5.12 -1.26 -1.15 116.66 126.93 1lhj n ARG 21 Ca 0.19 0.43 -0.00 0.00 -1.93 0.00 0.00 57.85 56.53 1lhj n ARG 21 Cb 0.41 -5.20 -0.00 0.00 -1.16 0.00 0.00 32.46 26.52 1lhj n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lhj n GLY 22 N -1.42 0.47 3.53 -0.13 0.00 -0.83 -4.98 105.19 101.83 1lhj n GLY 22 Ca 0.07 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1lhj n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lhj s ILE 23 N -1.95 5.28 0.65 -0.61 1.01 -0.30 -4.91 121.20 120.37 1lhj s ILE 23 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 1lhj s ILE 23 Cb 0.00 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.75 1lhj s ILE 23 CO 0.00 -0.01 1.11 -0.94 0.00 0.00 0.00 174.94 175.10 1lhj s SER 24 N 1.72 5.14 0.27 3.58 1.04 -1.26 -0.22 113.70 123.97 1lhj s SER 24 Ca 0.07 2.01 -0.00 0.00 0.48 0.00 0.00 55.95 58.50 1lhj s SER 24 Cb -0.17 -2.55 0.57 0.00 0.10 0.00 0.00 66.02 63.97 1lhj s SER 24 CO 0.11 -1.61 1.74 0.25 0.98 0.00 0.00 173.24 174.70 1lhj h LEU 25 N 0.09 0.42 -1.96 2.42 5.85 -1.91 -0.60 115.31 119.63 1lhj h LEU 25 Ca -0.47 0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1lhj h LEU 25 Cb 1.25 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 1lhj h LEU 25 CO 0.54 0.13 -0.00 0.00 -0.34 0.00 0.00 178.44 178.77 1lhj h ALA 26 N 1.60 1.96 -0.25 1.25 0.00 -1.92 -1.27 119.26 120.63 1lhj h ALA 26 Ca 0.48 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.21 1lhj h ALA 26 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1lhj h ALA 26 CO -0.42 0.03 -0.49 -0.91 0.00 0.00 0.00 179.25 177.46 1lhj h ASN 27 N 0.02 0.86 -0.58 0.00 2.35 -1.43 -0.87 115.58 115.93 1lhj h ASN 27 Ca 0.01 -0.54 -0.06 0.00 -0.55 0.00 0.00 56.30 55.15 1lhj h ASN 27 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 1lhj h ASN 27 CO 0.00 1.24 0.14 -0.50 -1.65 0.00 0.00 177.43 176.67 1lhj h TRP 28 N 0.51 1.01 -0.27 1.19 4.06 -1.14 -0.91 115.95 120.41 1lhj h TRP 28 Ca 0.01 -0.11 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 1lhj h TRP 28 Cb 1.10 -0.29 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 1lhj h TRP 28 CO 0.08 0.83 0.08 0.52 -3.56 0.00 0.00 178.44 176.39 1lhj h MET 29 N 0.92 0.42 -0.43 0.49 2.86 -1.12 0.03 114.93 118.09 1lhj h MET 29 Ca 0.20 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1lhj h MET 29 Cb 0.34 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1lhj h MET 29 CO 0.00 0.49 0.22 0.00 1.06 0.00 0.00 176.91 178.69 1lhj h LEU 31 N 0.45 -0.03 -1.15 0.00 5.85 -0.96 -2.36 115.31 117.10 1lhj h LEU 31 Ca 0.18 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1lhj h LEU 31 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1lhj h LEU 31 CO -0.12 0.05 0.34 0.00 -0.34 0.00 0.00 178.44 178.37 1lhj h ALA 32 N 0.85 1.35 0.23 1.25 0.00 -0.48 -0.18 119.26 122.27 1lhj h ALA 32 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1lhj h ALA 32 Cb 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1lhj h ALA 32 CO 0.01 0.52 -0.14 -0.22 0.00 0.00 0.00 179.25 179.42 1lhj h LYS 33 N 0.94 -0.34 0.00 0.00 3.11 -0.66 -2.38 116.57 117.23 1lhj h LYS 33 Ca 0.23 0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.96 1lhj h LYS 33 Cb 0.06 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.35 1lhj h LYS 33 CO -0.03 -0.23 -0.64 -1.49 -2.81 0.00 0.00 179.45 174.25 1lhj h TRP 34 N -0.36 0.00 -0.04 1.91 4.06 -1.27 -0.96 115.95 119.30 1lhj h TRP 34 Ca -0.02 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.83 1lhj h TRP 34 Cb 0.30 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1lhj h TRP 34 CO -0.09 0.64 -0.38 0.93 -3.56 0.00 0.00 178.44 175.99 1lhj h GLU 35 N 0.00 0.33 0.00 0.49 4.39 -0.98 -3.42 114.58 115.39 1lhj h GLU 35 Ca -0.01 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1lhj h GLU 35 Cb 1.27 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1lhj h GLU 35 CO 0.08 0.96 0.00 -1.13 -1.16 0.00 0.00 179.01 177.77 1lhj n SER 36 N -4.39 0.29 -1.90 1.42 3.41 -0.92 -4.86 113.62 106.67 1lhj n SER 36 Ca -0.09 -1.05 -0.16 0.00 -0.26 0.00 0.00 58.87 57.30 1lhj n SER 36 Cb 0.54 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1lhj n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lhj n GLY 37 N -0.03 -0.30 2.32 5.00 0.00 -0.36 -2.20 105.19 109.62 1lhj n GLY 37 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1lhj n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lhj n TYR 38 N -4.04 -0.76 -3.63 1.61 0.53 -1.16 -4.76 117.16 104.95 1lhj n TYR 38 Ca -0.18 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.31 1lhj n TYR 38 Cb 0.64 -3.35 -0.11 0.00 -1.03 0.00 0.00 39.34 35.49 1lhj n TYR 38 CO 0.00 0.00 0.00 1.21 -1.02 0.00 0.00 176.86 177.05 1lhj s ASN 39 N -2.27 5.65 0.17 7.72 3.84 -0.93 -1.17 114.94 127.95 1lhj s ASN 39 Ca 0.00 -0.53 0.22 0.00 0.21 0.00 0.00 52.86 52.77 1lhj s ASN 39 Cb 0.00 -2.03 0.89 0.00 -0.55 0.00 0.00 41.25 39.56 1lhj s ASN 39 CO 0.00 -0.21 1.69 0.35 -2.79 0.00 0.00 177.10 176.14 1lhj n THR 40 N 5.01 0.75 0.38 -5.21 -2.24 -0.08 -2.74 114.28 110.15 1lhj n THR 40 Ca -0.14 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1lhj n THR 40 Cb 0.49 -0.97 0.20 0.00 -2.10 0.00 0.00 70.33 67.96 1lhj n THR 40 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1lhj n ARG 41 N -2.02 2.50 -2.18 -0.78 1.74 -1.26 -4.22 116.66 110.43 1lhj n ARG 41 Ca 0.03 -2.26 -0.40 0.00 -0.77 0.00 0.00 57.85 54.46 1lhj n ARG 41 Cb 0.26 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1lhj n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lhj s ALA 42 N -1.55 3.32 -0.01 7.54 0.00 -1.11 -4.83 121.76 125.13 1lhj s ALA 42 Ca 0.38 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.43 1lhj s ALA 42 Cb 0.23 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 1lhj s ALA 42 CO 0.32 -0.61 0.07 0.95 0.00 0.00 0.00 175.76 176.49 1lhj s THR 43 N -1.26 0.06 -0.11 0.00 -4.23 -1.26 -0.79 115.64 108.06 1lhj s THR 43 Ca 0.53 -0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 60.51 1lhj s THR 43 Cb -0.36 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.23 1lhj s THR 43 CO 0.46 -0.28 -0.00 0.21 -0.54 0.00 0.00 174.62 174.47 1lhj s ASN 44 N -0.91 1.97 -0.08 3.99 2.47 -0.43 -4.98 114.94 116.97 1lhj s ASN 44 Ca -0.10 -0.28 -0.20 0.00 0.42 0.00 0.00 52.86 52.70 1lhj s ASN 44 Cb -0.06 -0.53 -0.04 0.00 -1.45 0.00 0.00 41.25 39.17 1lhj s ASN 44 CO 0.00 -0.21 0.55 -0.47 -3.72 0.00 0.00 177.10 173.26 1lhj s TYR 45 N 1.91 3.56 -0.71 0.43 6.14 -1.26 -1.02 117.35 126.40 1lhj s TYR 45 Ca 0.04 1.04 -0.16 0.00 0.64 0.00 0.00 57.07 58.62 1lhj s TYR 45 Cb -0.13 -2.62 0.16 0.00 0.42 0.00 0.00 41.96 39.78 1lhj s TYR 45 CO -0.06 0.19 0.72 -0.80 0.64 0.00 0.00 175.55 176.23 1lhj s ASN 46 N 0.49 6.46 0.38 4.32 0.01 -0.14 -4.90 114.94 121.57 1lhj s ASN 46 Ca 0.30 -2.10 0.11 0.00 -0.71 0.00 0.00 52.86 50.46 1lhj s ASN 46 Cb -0.16 -2.25 0.90 0.00 0.41 0.00 0.00 41.25 40.15 1lhj s ASN 46 CO 0.14 -0.82 1.90 0.00 -1.51 0.00 0.00 177.10 176.80 1lhj h ALA 47 N 8.51 1.93 -0.66 0.60 0.00 -1.95 0.02 119.26 127.71 1lhj h ALA 47 Ca -0.09 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1lhj h ALA 47 Cb 1.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1lhj h ALA 47 CO 0.95 -0.15 0.41 0.78 0.00 0.00 0.00 179.25 181.24 1lhj h GLY 48 N 0.59 0.93 0.00 0.00 0.00 -1.95 -3.33 103.07 99.32 1lhj h GLY 48 Ca 0.41 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1lhj h GLY 48 CO -0.16 0.36 0.00 2.09 0.00 0.00 0.00 176.54 178.82 1lhj n ASP 49 N -4.42 0.92 -0.48 0.19 5.75 -0.97 -5.02 116.55 112.53 1lhj n ASP 49 Ca 0.07 -1.22 -0.06 0.00 -0.01 0.00 0.00 54.79 53.57 1lhj n ASP 49 Cb 0.06 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 1lhj n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1lhj n ARG 50 N -0.11 -0.74 -3.29 0.11 1.74 -0.05 -4.83 116.66 109.49 1lhj n ARG 50 Ca 0.00 0.63 -0.18 0.00 -0.77 0.00 0.00 57.85 57.52 1lhj n ARG 50 Cb 0.15 -4.45 -0.00 0.00 -1.02 0.00 0.00 32.46 27.14 1lhj n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lhj s SER 51 N -2.59 5.69 0.02 0.55 1.04 -1.22 -4.51 113.70 112.68 1lhj s SER 51 Ca 0.00 -0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.08 1lhj s SER 51 Cb 0.00 -0.89 -0.02 0.00 0.10 0.00 0.00 66.02 65.22 1lhj s SER 51 CO 0.00 -0.60 -0.06 -0.89 0.98 0.00 0.00 173.24 172.67 1lhj s THR 52 N -2.29 0.46 -0.18 2.02 2.01 -1.26 -0.96 115.64 115.43 1lhj s THR 52 Ca 0.50 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1lhj s THR 52 Cb -0.09 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.89 1lhj s THR 52 CO 0.31 -0.21 0.07 -1.81 -0.69 0.00 0.00 174.62 172.30 1lhj s ASP 53 N -1.03 5.70 -0.03 3.53 1.01 -0.19 -0.90 116.67 124.76 1lhj s ASP 53 Ca -0.06 0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.37 1lhj s ASP 53 Cb -0.07 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 1lhj s ASP 53 CO 0.00 0.19 -0.20 -0.31 0.21 0.00 0.00 175.17 175.06 1lhj s TYR 54 N 0.29 1.86 0.00 4.23 2.02 -0.08 -1.31 117.35 124.35 1lhj s TYR 54 Ca 0.04 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1lhj s TYR 54 Cb -0.12 -1.22 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1lhj s TYR 54 CO 0.00 -0.09 0.00 0.41 -1.57 0.00 0.00 175.55 174.31 1lhj n GLY 55 N 2.76 -2.12 0.27 0.71 0.00 0.03 -1.27 105.19 105.57 1lhj n GLY 55 Ca -0.16 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.47 1lhj n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lhj h ILE 56 N 0.00 0.99 -0.17 -0.61 2.10 -1.73 -1.07 117.51 117.03 1lhj h ILE 56 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1lhj h ILE 56 Cb 0.00 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1lhj h ILE 56 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 1lhj n PHE 57 N -4.53 0.20 -3.63 2.19 3.01 -1.26 -4.05 117.46 109.38 1lhj n PHE 57 Ca -0.02 -0.12 -0.27 0.00 1.01 0.00 0.00 57.45 58.05 1lhj n PHE 57 Cb 0.11 -0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.61 1lhj n PHE 57 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1lhj n GLN 58 N 1.16 -1.23 -2.82 -1.08 1.13 -0.41 -4.92 117.38 109.21 1lhj n GLN 58 Ca 0.14 0.64 -0.41 0.00 -1.94 0.00 0.00 57.00 55.43 1lhj n GLN 58 Cb 0.51 -3.93 -0.04 0.00 0.11 0.00 0.00 30.24 26.89 1lhj n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1lhj s ILE 59 N -3.31 4.72 0.25 5.09 1.01 -0.39 -4.47 121.20 124.10 1lhj s ILE 59 Ca 0.33 1.89 -0.21 0.00 0.00 0.00 0.00 60.65 62.65 1lhj s ILE 59 Cb -0.12 -4.24 -0.09 0.00 0.01 0.00 0.00 42.46 38.02 1lhj s ILE 59 CO 0.86 0.28 0.78 0.21 0.00 0.00 0.00 174.94 177.07 1lhj s ASN 60 N 0.36 7.14 0.00 3.58 3.84 -1.26 -0.90 114.94 127.69 1lhj s ASN 60 Ca 0.45 1.53 0.24 0.00 0.21 0.00 0.00 52.86 55.29 1lhj s ASN 60 Cb -0.21 -2.46 1.05 0.00 -0.55 0.00 0.00 41.25 39.07 1lhj s ASN 60 CO 0.26 0.01 1.77 -1.54 -2.79 0.00 0.00 177.10 174.81 1lhj n SER 61 N 0.70 0.00 0.08 -4.21 3.41 -0.08 -2.05 113.62 111.47 1lhj n SER 61 Ca -0.01 0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1lhj n SER 61 Cb 0.51 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1lhj n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lhj h ARG 62 N 0.00 0.33 0.00 4.33 2.43 -1.84 -3.40 114.38 116.23 1lhj h ARG 62 Ca 0.00 -0.39 -0.17 0.00 -0.81 0.00 0.00 59.98 58.62 1lhj h ARG 62 Cb 0.38 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 1lhj h ARG 62 CO 0.00 1.09 -1.63 0.66 -1.51 0.00 0.00 179.97 178.58 1lhj n TYR 63 N -3.68 0.00 -0.10 2.20 4.02 -1.23 0.46 117.16 118.83 1lhj n TYR 63 Ca -0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.70 1lhj n TYR 63 Cb 0.86 -0.44 -0.10 0.00 -0.02 0.00 0.00 39.34 39.65 1lhj n TYR 63 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1lhj n TRP 64 N -2.55 0.00 -4.28 -0.72 7.02 -0.87 -1.09 117.44 114.94 1lhj n TRP 64 Ca -0.17 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.16 1lhj n TRP 64 Cb 0.76 -0.78 -0.10 0.00 -2.42 0.00 0.00 31.31 28.77 1lhj n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1lhj s ASN 66 N -3.22 6.12 0.00 0.00 2.47 0.02 -4.56 114.94 115.77 1lhj s ASN 66 Ca 0.20 0.15 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1lhj s ASN 66 Cb 0.03 -2.09 0.00 0.00 -1.45 0.00 0.00 41.25 37.74 1lhj s ASN 66 CO 0.03 0.11 0.76 -0.90 -3.72 0.00 0.00 177.10 173.38 1lhj n ASP 67 N 4.02 1.47 0.00 -4.21 5.75 -1.26 -0.76 116.55 121.55 1lhj n ASP 67 Ca -0.15 -1.56 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1lhj n ASP 67 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1lhj n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lhj n GLY 68 N -0.28 1.08 1.14 6.12 0.00 -1.26 -4.69 105.19 107.29 1lhj n GLY 68 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1lhj n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1lhj n LYS 69 N -0.98 2.56 -3.64 1.61 2.85 -1.26 -4.92 118.16 114.38 1lhj n LYS 69 Ca 0.00 -2.37 -0.37 0.00 -1.05 0.00 0.00 58.31 54.52 1lhj n LYS 69 Cb 0.00 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 32.78 1lhj n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1lhj s THR 70 N -1.19 5.19 0.40 0.58 2.01 -1.26 -4.96 115.64 116.41 1lhj s THR 70 Ca 0.40 0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 1lhj s THR 70 Cb 0.22 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 1lhj s THR 70 CO 0.29 0.29 1.17 -2.84 -0.69 0.00 0.00 174.62 172.85 1lhj s PRO 71 N 1.50 4.04 -1.73 4.92 0.02 -1.26 -3.14 135.00 139.35 1lhj s PRO 71 Ca 0.07 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.93 1lhj s PRO 71 Cb -0.15 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.71 1lhj s PRO 71 CO 0.08 -0.33 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1lhj n GLY 72 N 0.61 0.50 3.81 0.52 0.00 -1.26 -4.97 105.19 104.41 1lhj n GLY 72 Ca 0.04 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1lhj n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lhj s ALA 73 N -2.82 3.10 0.27 4.61 0.00 -1.19 -4.93 121.76 120.80 1lhj s ALA 73 Ca 0.00 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.48 1lhj s ALA 73 Cb 0.00 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 1lhj s ALA 73 CO 0.00 0.15 -0.15 0.14 0.00 0.00 0.00 175.76 175.90 1lhj s VAL 74 N -2.03 2.74 -0.54 0.00 -7.23 0.17 -5.00 120.40 108.52 1lhj s VAL 74 Ca 0.59 -2.25 0.07 0.00 -1.81 0.00 0.00 61.98 58.58 1lhj s VAL 74 Cb -0.11 -2.44 0.24 0.00 0.56 0.00 0.00 36.38 34.64 1lhj s VAL 74 CO 0.16 -0.37 0.64 -3.20 -0.31 0.00 0.00 175.10 172.01 1lhj n ASN 75 N -0.63 2.18 0.02 4.85 5.15 -1.25 -3.69 115.26 121.90 1lhj n ASN 75 Ca -0.06 -3.10 0.03 0.00 -0.60 0.00 0.00 54.58 50.85 1lhj n ASN 75 Cb 0.59 -0.66 0.41 0.00 -0.53 0.00 0.00 39.78 39.60 1lhj n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lhj h ALA 76 N 4.19 1.65 -0.00 5.20 0.00 -1.07 -1.49 119.26 127.75 1lhj h ALA 76 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1lhj h ALA 76 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1lhj h ALA 76 CO 0.67 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 180.16 1lhj n HIS 78 N -1.02 -1.96 -3.93 0.00 -0.00 -0.56 -4.99 115.22 102.76 1lhj n HIS 78 Ca 0.16 0.75 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 1lhj n HIS 78 Cb 0.24 -4.12 -0.10 0.00 -0.00 0.00 0.00 29.99 26.01 1lhj n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1lhj s LEU 79 N -6.50 1.85 0.32 2.41 1.43 -1.26 -5.07 118.68 111.86 1lhj s LEU 79 Ca 0.15 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1lhj s LEU 79 Cb -0.04 0.48 -0.09 0.00 0.03 0.00 0.00 46.19 46.57 1lhj s LEU 79 CO 0.82 -0.41 1.11 -0.55 0.23 0.00 0.00 176.35 177.55 1lhj s SER 80 N -1.72 7.06 0.63 2.29 0.15 -1.26 -0.80 113.70 120.05 1lhj s SER 80 Ca -0.11 2.27 0.36 0.00 0.70 0.00 0.00 55.95 59.18 1lhj s SER 80 Cb -0.05 -2.62 2.06 0.00 -1.71 0.00 0.00 66.02 63.70 1lhj s SER 80 CO -0.02 -0.29 2.27 0.00 1.20 0.00 0.00 173.24 176.41 1lhj h SER 82 N 0.00 0.79 -0.26 0.00 0.87 -1.91 -1.91 113.55 111.14 1lhj h SER 82 Ca 0.01 0.02 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1lhj h SER 82 Cb 0.09 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 1lhj h SER 82 CO -0.00 0.47 0.27 0.00 -0.53 0.00 0.00 176.83 177.04 1lhj h ALA 83 N 1.56 1.94 -0.21 6.23 0.00 -1.59 -0.44 119.26 126.75 1lhj h ALA 83 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1lhj h ALA 83 Cb 0.40 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lhj h ALA 83 CO -0.17 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 179.95 1lhj n LEU 84 N -3.84 1.50 -0.31 0.00 4.77 -0.72 -3.69 117.00 114.71 1lhj n LEU 84 Ca 0.04 -0.68 0.03 0.00 -0.03 0.00 0.00 56.01 55.37 1lhj n LEU 84 Cb 0.42 -0.13 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 1lhj n LEU 84 CO 0.28 0.34 0.57 0.18 -1.33 0.00 0.00 177.39 177.43 1lhj n LEU 85 N 0.25 2.48 -4.87 2.23 4.77 -0.18 -3.32 117.00 118.36 1lhj n LEU 85 Ca 0.14 -2.05 -0.31 0.00 -0.03 0.00 0.00 56.01 53.75 1lhj n LEU 85 Cb 0.28 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1lhj n LEU 85 CO 0.10 0.61 0.68 -1.10 -1.33 0.00 0.00 177.39 176.36 1lhj s GLN 86 N -1.09 3.65 0.27 3.23 -0.21 -1.24 -4.54 119.66 119.73 1lhj s GLN 86 Ca 0.12 0.72 0.10 0.00 0.02 0.00 0.00 55.36 56.33 1lhj s GLN 86 Cb 0.07 -2.12 0.36 0.00 1.00 0.00 0.00 33.01 32.32 1lhj s GLN 86 CO 0.07 -0.48 1.62 -0.44 -2.12 0.00 0.00 175.29 173.94 1lhj h ASP 87 N -0.05 0.01 -3.40 5.90 3.32 -1.94 -3.40 116.42 116.86 1lhj h ASP 87 Ca -0.45 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.01 1lhj h ASP 87 Cb 1.19 -0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.66 1lhj h ASP 87 CO 0.62 0.62 0.70 0.21 -1.72 0.00 0.00 179.24 179.66 1lhj s ASN 88 N -6.85 6.80 -0.02 6.45 3.84 -1.26 -4.92 114.94 118.97 1lhj s ASN 88 Ca -0.01 0.83 0.06 0.00 0.21 0.00 0.00 52.86 53.94 1lhj s ASN 88 Cb 0.13 -2.50 0.20 0.00 -0.55 0.00 0.00 41.25 38.53 1lhj s ASN 88 CO 0.76 -0.84 1.05 2.30 -2.79 0.00 0.00 177.10 177.59 1lhj n ILE 89 N 5.87 0.44 -0.15 -5.21 -5.35 -1.26 -4.50 119.36 109.19 1lhj n ILE 89 Ca 0.09 -0.31 -0.03 0.00 -0.27 0.00 0.00 62.75 62.23 1lhj n ILE 89 Cb 0.48 -0.06 0.06 0.00 -1.74 0.00 0.00 39.64 38.38 1lhj n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1lhj h ALA 90 N 3.10 0.55 -0.43 -1.28 0.00 -1.95 0.14 119.26 119.40 1lhj h ALA 90 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lhj h ALA 90 Cb 0.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1lhj h ALA 90 CO 0.05 -0.30 0.22 -0.44 0.00 0.00 0.00 179.25 178.78 1lhj h ASP 91 N 0.25 0.55 -0.78 0.00 3.45 -1.86 -0.54 116.42 117.49 1lhj h ASP 91 Ca 0.24 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.55 1lhj h ASP 91 Cb 0.31 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.90 1lhj h ASP 91 CO -0.30 0.51 0.36 0.00 -1.57 0.00 0.00 179.24 178.23 1lhj h ALA 92 N 1.07 1.13 -0.32 3.45 0.00 -1.63 0.14 119.26 123.09 1lhj h ALA 92 Ca 0.15 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1lhj h ALA 92 Cb 0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1lhj h ALA 92 CO -0.02 0.64 -0.05 0.28 0.00 0.00 0.00 179.25 180.10 1lhj h VAL 93 N 1.14 1.27 -0.29 0.00 2.07 -0.72 0.17 116.25 119.90 1lhj h VAL 93 Ca 0.27 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1lhj h VAL 93 Cb 0.15 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1lhj h VAL 93 CO -0.03 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 177.87 1lhj h ALA 94 N 0.82 1.41 -0.16 1.67 0.00 -0.85 -0.25 119.26 121.90 1lhj h ALA 94 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1lhj h ALA 94 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1lhj h ALA 94 CO 0.03 0.41 -0.32 0.00 0.00 0.00 0.00 179.25 179.37 1lhj h ALA 96 N 0.56 1.64 -0.67 0.00 0.00 -0.30 0.41 119.26 120.90 1lhj h ALA 96 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1lhj h ALA 96 Cb 0.92 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1lhj h ALA 96 CO 0.07 0.23 0.26 0.87 0.00 0.00 0.00 179.25 180.68 1lhj h LYS 97 N 0.86 0.99 -0.39 0.00 1.57 -0.97 -2.38 116.57 116.25 1lhj h LYS 97 Ca 0.36 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1lhj h LYS 97 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1lhj h LYS 97 CO -0.13 0.81 0.02 -0.09 -0.57 0.00 0.00 179.45 179.48 1lhj h ARG 98 N 0.97 0.68 -0.40 3.15 9.65 -0.91 -2.09 114.38 125.42 1lhj h ARG 98 Ca 0.23 -0.21 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 1lhj h ARG 98 Cb 0.19 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.65 1lhj h ARG 98 CO -0.02 0.76 0.07 0.28 2.80 0.00 0.00 179.97 183.86 1lhj h VAL 99 N 0.50 0.78 0.00 0.20 2.07 -0.58 -2.26 116.25 116.98 1lhj h VAL 99 Ca 0.11 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 1lhj h VAL 99 Cb 0.44 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1lhj h VAL 99 CO 0.02 0.04 -0.34 -0.37 0.02 0.00 0.00 177.57 176.93 1lhj h VAL 100 N 0.20 0.91 0.00 2.57 -1.51 -1.30 -2.99 116.25 114.12 1lhj h VAL 100 Ca 0.19 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 64.30 1lhj h VAL 100 Cb 0.23 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 1lhj h VAL 100 CO -0.26 0.34 0.00 0.54 -1.23 0.00 0.00 177.57 176.96 1lhj n ARG 101 N -3.64 0.16 -3.80 5.19 1.74 -0.80 -3.39 116.66 112.13 1lhj n ARG 101 Ca -0.01 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.70 1lhj n ARG 101 Cb 0.46 -1.03 -0.13 0.00 -1.02 0.00 0.00 32.46 30.74 1lhj n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1lhj s ASP 102 N -1.85 5.19 0.00 0.55 1.01 -1.13 -4.97 116.67 115.46 1lhj s ASP 102 Ca 0.00 -1.21 0.00 0.00 0.71 0.00 0.00 52.55 52.05 1lhj s ASP 102 Cb 0.00 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.11 1lhj s ASP 102 CO 0.00 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 175.68 1lhj n GLY 103 N 4.75 0.00 0.00 0.21 0.00 -1.26 -1.19 105.19 107.70 1lhj n GLY 103 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1lhj n GLY 103 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1lhj n GLN 104 N 0.00 0.00 0.00 1.61 6.02 -1.26 -5.11 117.38 118.64 1lhj n GLN 104 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1lhj n GLN 104 Cb 0.00 -0.49 0.00 0.00 1.02 0.00 0.00 30.24 30.77 1lhj n GLN 104 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1lhj n GLY 105 N 1.39 1.35 0.25 1.08 0.00 -0.33 -2.82 105.19 106.11 1lhj n GLY 105 Ca 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1lhj n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1lhj h ILE 106 N 0.00 0.59 0.00 -0.61 6.09 -1.93 -2.22 117.51 119.43 1lhj h ILE 106 Ca 0.00 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 1lhj h ILE 106 Cb 0.00 1.48 0.00 0.00 0.47 0.00 0.00 36.82 38.77 1lhj h ILE 106 CO 0.00 0.16 0.00 0.54 -3.07 0.00 0.00 178.15 175.78 1lhj n ARG 107 N -3.58 0.10 -0.21 2.19 1.74 -1.13 -2.31 116.66 113.46 1lhj n ARG 107 Ca -0.01 0.49 0.26 0.00 -0.77 0.00 0.00 57.85 57.82 1lhj n ARG 107 Cb 0.30 -1.76 0.65 0.00 -1.02 0.00 0.00 32.46 30.64 1lhj n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1lhj h ALA 108 N 2.15 2.65 -2.61 7.54 0.00 -1.51 -3.37 119.26 124.11 1lhj h ALA 108 Ca 0.00 -0.01 -0.65 0.00 0.00 0.00 0.00 54.91 54.25 1lhj h ALA 108 Cb 0.13 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 1lhj h ALA 108 CO 0.00 -0.93 -0.24 -1.58 0.00 0.00 0.00 179.25 176.50 1lhj s TRP 109 N -5.13 3.21 0.44 0.00 0.51 -0.98 -4.98 118.94 112.02 1lhj s TRP 109 Ca -0.06 0.12 0.12 0.00 -2.12 0.00 0.00 56.10 54.15 1lhj s TRP 109 Cb 0.22 -2.69 0.98 0.00 -0.81 0.00 0.00 33.47 31.18 1lhj s TRP 109 CO 0.78 -0.40 2.02 -0.39 -0.51 0.00 0.00 176.95 178.45 1lhj h VAL 110 N 5.51 1.10 -0.98 4.03 -1.51 -1.89 -2.08 116.25 120.44 1lhj h VAL 110 Ca -0.30 -0.43 0.08 0.00 -1.23 0.00 0.00 66.70 64.82 1lhj h VAL 110 Cb 1.15 1.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.29 1lhj h VAL 110 CO 0.69 0.14 0.63 0.00 -1.23 0.00 0.00 177.57 177.80 1lhj h ALA 111 N 1.80 1.47 -0.36 5.19 0.00 -1.93 -1.37 119.26 124.05 1lhj h ALA 111 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1lhj h ALA 111 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1lhj h ALA 111 CO 0.01 0.36 0.19 2.35 0.00 0.00 0.00 179.25 182.16 1lhj h TRP 112 N 1.09 0.50 -0.94 0.00 7.01 -1.69 0.32 115.95 122.24 1lhj h TRP 112 Ca 0.44 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.44 1lhj h TRP 112 Cb 0.26 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 1lhj h TRP 112 CO -0.00 0.40 0.62 0.00 -2.79 0.00 0.00 178.44 176.67 1lhj h ARG 113 N 0.44 1.20 -0.25 2.65 3.08 -1.33 0.61 114.38 120.78 1lhj h ARG 113 Ca 0.12 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1lhj h ARG 113 Cb 0.08 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1lhj h ARG 113 CO -0.02 0.79 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.33 1lhj h ASN 114 N 1.23 0.82 0.00 7.04 2.35 -0.81 -3.37 115.58 122.84 1lhj h ASN 114 Ca 0.36 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1lhj h ASN 114 Cb -0.08 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.05 1lhj h ASN 114 CO -0.10 1.19 -1.05 0.54 -1.65 0.00 0.00 177.43 176.37 1lhj n ARG 115 N -4.16 1.76 -0.01 0.81 5.12 0.06 -4.88 116.66 115.37 1lhj n ARG 115 Ca -0.05 -0.05 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 1lhj n ARG 115 Cb 0.56 -1.14 -0.01 0.00 -1.16 0.00 0.00 32.46 30.72 1lhj n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lhj n GLN 117 N -2.57 2.06 -1.28 0.00 7.27 -0.53 -1.53 117.38 120.79 1lhj n GLN 117 Ca -0.02 0.74 -0.10 0.00 0.07 0.00 0.00 57.00 57.69 1lhj n GLN 117 Cb 0.52 -2.47 -0.04 0.00 2.41 0.00 0.00 30.24 30.66 1lhj n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1lhj n ASN 118 N 2.95 -5.61 -4.87 1.69 5.03 -1.26 -4.97 115.26 108.23 1lhj n ASN 118 Ca 0.15 0.24 -0.21 0.00 0.87 0.00 0.00 54.58 55.63 1lhj n ASN 118 Cb 0.29 -3.95 -0.03 0.00 -1.02 0.00 0.00 39.78 35.06 1lhj n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1lhj s ARG 119 N -2.76 2.59 -0.63 3.52 0.52 -0.58 -5.05 118.95 116.56 1lhj s ARG 119 Ca 0.00 -1.46 -0.25 0.00 -0.52 0.00 0.00 55.73 53.50 1lhj s ARG 119 Cb 0.00 -2.41 0.05 0.00 0.52 0.00 0.00 34.95 33.11 1lhj s ARG 119 CO 0.00 -0.11 1.04 0.34 0.02 0.00 0.00 175.30 176.59 1lhj s ASP 120 N -4.09 6.26 0.00 0.23 2.15 -1.26 -4.86 116.67 115.09 1lhj s ASP 120 Ca 0.46 -0.54 0.21 0.00 0.43 0.00 0.00 52.55 53.11 1lhj s ASP 120 Cb -0.04 -2.47 0.54 0.00 -0.30 0.00 0.00 42.92 40.65 1lhj s ASP 120 CO 0.28 -1.44 1.45 1.33 -0.17 0.00 0.00 175.17 176.61 1lhj n VAL 121 N 6.19 0.49 -0.11 1.11 0.24 -1.26 -4.53 118.33 120.45 1lhj n VAL 121 Ca 0.01 -0.63 0.05 0.00 -2.04 0.00 0.00 64.34 61.72 1lhj n VAL 121 Cb 0.47 0.64 0.37 0.00 -1.47 0.00 0.00 33.84 33.85 1lhj n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1lhj h ARG 122 N 3.50 0.69 -0.98 7.34 3.08 -1.93 -2.54 114.38 123.55 1lhj h ARG 122 Ca 0.00 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.26 1lhj h ARG 122 Cb 0.78 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 1lhj h ARG 122 CO 0.00 0.46 0.66 -0.56 -1.07 0.00 0.00 179.97 179.46 1lhj h GLN 123 N 0.71 0.24 0.00 0.04 3.07 -1.98 -1.78 115.11 115.41 1lhj h GLN 123 Ca 0.24 -0.01 -0.04 0.00 0.09 0.00 0.00 58.65 58.93 1lhj h GLN 123 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 1lhj h GLN 123 CO -0.06 0.16 -0.19 1.88 0.09 0.00 0.00 178.83 180.70 1lhj h TYR 124 N 0.25 0.00 -0.01 0.06 0.05 -1.79 -3.13 116.97 112.39 1lhj h TYR 124 Ca 0.51 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.29 1lhj h TYR 124 Cb 1.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.28 1lhj h TYR 124 CO -0.00 0.19 -0.01 1.33 -1.05 0.00 0.00 178.16 178.62 1lhj n VAL 125 N -3.87 0.00 -1.68 -2.88 0.24 -0.70 -4.85 118.33 104.58 1lhj n VAL 125 Ca -0.02 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.34 61.33 1lhj n VAL 125 Cb 0.28 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.80 1lhj n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lhj n GLN 126 N 0.47 2.33 -0.96 7.34 10.64 -1.04 -2.15 117.38 134.02 1lhj n GLN 126 Ca 0.05 0.85 0.00 0.00 -1.83 0.00 0.00 57.00 56.07 1lhj n GLN 126 Cb 0.22 -2.67 0.00 0.00 -0.86 0.00 0.00 30.24 26.93 1lhj n GLN 126 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1lhj n GLY 127 N 3.90 0.88 0.07 2.61 0.00 -1.26 -4.91 105.19 106.48 1lhj n GLY 127 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1lhj n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lhj n GLY 129 N 1.37 0.43 0.64 0.00 0.00 -1.26 -4.83 105.19 101.54 1lhj n GLY 129 Ca 0.06 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.16 1lhj n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65