#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmg h LEU 2 N 0.00 0.00 0.00 0.99 3.38 -1.90 -2.97 115.31 114.81 3hmg h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hmg h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hmg h LEU 2 CO 0.00 0.06 -1.76 0.49 0.09 0.00 0.00 178.44 177.31 3hmg n PHE 3 N -3.79 0.00 -1.28 1.13 3.01 -1.26 -4.98 117.46 110.30 3hmg n PHE 3 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.41 3hmg n PHE 3 Cb 0.15 -0.39 -0.01 0.00 -0.01 0.00 0.00 39.48 39.23 3hmg n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hmg n GLY 4 N 1.33 0.51 0.00 1.37 0.00 -1.12 -4.95 105.19 102.33 3hmg n GLY 4 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 3hmg n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmg n ALA 5 N 0.59 0.03 -1.91 4.61 0.00 -1.26 -0.65 120.51 121.92 3hmg n ALA 5 Ca -0.03 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3hmg n ALA 5 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.60 3hmg n ALA 5 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hmg s ILE 6 N -1.06 2.73 -1.08 0.00 1.01 -1.26 -0.41 121.20 121.12 3hmg s ILE 6 Ca -0.01 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.24 3hmg s ILE 6 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.09 3hmg s ILE 6 CO 0.01 0.09 0.00 0.00 0.00 0.00 0.00 174.94 175.04 3hmg n ALA 7 N 2.58 -0.75 -2.13 9.38 0.00 -1.24 -4.25 120.51 124.10 3hmg n ALA 7 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3hmg n ALA 7 Cb 0.40 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3hmg n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmg n GLY 8 N -0.79 2.86 0.00 0.00 0.00 0.46 -4.89 105.19 102.83 3hmg n GLY 8 Ca -0.15 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.64 3hmg n GLY 8 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hmg n PHE 9 N 0.00 0.00 -3.65 1.61 1.16 0.18 -3.77 117.46 112.99 3hmg n PHE 9 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.19 3hmg n PHE 9 Cb 0.00 -0.39 -0.11 0.00 -1.61 0.00 0.00 39.48 37.37 3hmg n PHE 9 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hmg s ILE 10 N -2.78 4.12 0.34 1.97 1.01 -0.87 -3.68 121.20 121.31 3hmg s ILE 10 Ca 0.12 -1.30 0.07 0.00 0.00 0.00 0.00 60.65 59.54 3hmg s ILE 10 Cb 0.11 -3.46 0.31 0.00 0.01 0.00 0.00 42.46 39.43 3hmg s ILE 10 CO 0.27 -0.40 1.87 1.05 0.00 0.00 0.00 174.94 177.72 3hmg h GLU 11 N 8.35 0.75 0.00 2.79 4.11 -1.84 -3.28 114.58 125.46 3hmg h GLU 11 Ca -0.23 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.12 3hmg h GLU 11 Cb 1.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3hmg h GLU 11 CO 0.71 0.50 0.21 0.27 0.07 0.00 0.00 179.01 180.76 3hmg n ASN 12 N -4.57 -1.90 -5.01 3.06 6.94 -1.26 -4.76 115.26 107.76 3hmg n ASN 12 Ca 0.17 -2.37 -0.17 0.00 -0.02 0.00 0.00 54.58 52.19 3hmg n ASN 12 Cb 0.42 3.19 0.01 0.00 -2.36 0.00 0.00 39.78 41.04 3hmg n ASN 12 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3hmg s GLY 13 N -2.77 1.91 -0.27 4.83 0.00 -1.26 -4.96 107.32 104.80 3hmg s GLY 13 Ca 0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 44.72 43.14 3hmg s GLY 13 CO 0.11 -1.48 0.07 -0.98 0.00 0.00 0.00 173.10 170.82 3hmg s TRP 14 N -2.33 3.11 -0.12 1.90 0.51 -1.26 -4.93 118.94 115.82 3hmg s TRP 14 Ca 0.54 -0.72 0.30 0.00 -2.12 0.00 0.00 56.10 54.10 3hmg s TRP 14 Cb -0.10 -2.25 1.05 0.00 -0.81 0.00 0.00 33.47 31.37 3hmg s TRP 14 CO 0.33 -0.48 1.86 0.93 -0.51 0.00 0.00 176.95 179.08 3hmg h GLU 15 N 8.24 0.00 0.00 4.98 5.08 -2.03 -3.07 114.58 127.77 3hmg h GLU 15 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hmg h GLU 15 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3hmg h GLU 15 CO 0.60 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 179.39 3hmg h GLY 16 N 2.67 0.00 -7.30 -3.84 0.00 -2.03 -3.41 103.07 89.17 3hmg h GLY 16 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3hmg h GLY 16 CO 0.00 0.00 1.02 -0.29 0.00 0.00 0.00 176.54 177.27 3hmg s MET 17 N -3.53 3.27 0.00 4.80 -2.45 -1.16 -4.79 119.30 115.43 3hmg s MET 17 Ca 0.03 -0.62 0.25 0.00 -1.25 0.00 0.00 55.69 54.09 3hmg s MET 17 Cb 0.08 -4.46 0.45 0.00 1.25 0.00 0.00 34.83 32.16 3hmg s MET 17 CO 0.54 -2.07 1.38 0.44 1.05 0.00 0.00 175.02 176.37 3hmg n ILE 18 N 6.32 0.00 -0.71 10.11 -6.64 -1.26 -4.44 119.36 122.74 3hmg n ILE 18 Ca 0.08 -0.23 0.07 0.00 -1.77 0.00 0.00 62.75 60.91 3hmg n ILE 18 Cb 0.49 0.83 0.21 0.00 -1.44 0.00 0.00 39.64 39.73 3hmg n ILE 18 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 3hmg n ASP 19 N -0.14 3.40 0.00 7.28 3.85 -1.26 -5.05 116.55 124.64 3hmg n ASP 19 Ca 0.12 -2.68 0.00 0.00 -0.71 0.00 0.00 54.79 51.52 3hmg n ASP 19 Cb 0.42 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3hmg n ASP 19 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hmg n GLY 20 N -0.28 0.94 0.09 6.12 0.00 -1.26 -4.77 105.19 106.03 3hmg n GLY 20 Ca 0.17 -1.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 3hmg n GLY 20 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hmg n TRP 21 N -0.56 0.70 -4.25 1.61 7.02 -1.26 -4.92 117.44 115.77 3hmg n TRP 21 Ca 0.00 0.25 -0.19 0.00 -1.02 0.00 0.00 57.50 56.54 3hmg n TRP 21 Cb 0.00 -1.09 -0.11 0.00 -2.42 0.00 0.00 31.31 27.69 3hmg n TRP 21 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3hmg s TYR 22 N -2.67 1.47 -0.06 -5.99 2.02 -1.26 -5.02 117.35 105.83 3hmg s TYR 22 Ca -0.06 -0.53 -0.21 0.00 -0.37 0.00 0.00 57.07 55.90 3hmg s TYR 22 Cb 0.08 -0.77 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 3hmg s TYR 22 CO 0.83 0.17 0.95 0.41 -1.57 0.00 0.00 175.55 176.34 3hmg n GLY 23 N 0.55 0.18 3.29 0.71 0.00 -1.26 0.04 105.19 108.70 3hmg n GLY 23 Ca -0.16 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.60 3hmg n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hmg s PHE 24 N -2.03 2.49 -0.08 1.61 0.40 0.24 -4.87 117.98 115.74 3hmg s PHE 24 Ca 0.23 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 55.86 3hmg s PHE 24 Cb -0.00 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 3hmg s PHE 24 CO -0.02 -0.19 0.01 1.03 0.70 0.00 0.00 175.22 176.75 3hmg s ARG 25 N -0.16 2.99 0.13 0.44 3.00 -1.26 -0.55 118.95 123.55 3hmg s ARG 25 Ca -0.03 -0.41 0.04 0.00 0.00 0.00 0.00 55.73 55.33 3hmg s ARG 25 Cb -0.14 -2.80 -0.04 0.00 0.00 0.00 0.00 34.95 31.97 3hmg s ARG 25 CO 0.04 0.70 -0.10 -3.38 0.00 0.00 0.00 175.30 172.56 3hmg s HIS 26 N -0.90 1.22 -0.08 -0.53 -3.43 0.24 -4.95 115.29 106.86 3hmg s HIS 26 Ca 0.14 -0.73 0.02 0.00 -0.80 0.00 0.00 55.06 53.69 3hmg s HIS 26 Cb -0.11 -0.63 0.01 0.00 -1.43 0.00 0.00 32.58 30.42 3hmg s HIS 26 CO 0.03 0.06 -0.14 -1.14 -2.00 0.00 0.00 174.74 171.55 3hmg s GLN 27 N -3.50 1.92 0.13 -0.38 2.00 -1.26 -1.20 119.66 117.37 3hmg s GLN 27 Ca 0.14 -0.48 -0.05 0.00 -2.00 0.00 0.00 55.36 52.97 3hmg s GLN 27 Cb 0.01 -1.59 0.02 0.00 0.80 0.00 0.00 33.01 32.25 3hmg s GLN 27 CO 0.00 0.01 0.27 0.27 -0.50 0.00 0.00 175.29 175.34 3hmg n ASN 28 N 3.91 -0.77 -0.35 6.67 6.94 0.81 -5.00 115.26 127.47 3hmg n ASN 28 Ca -0.21 -1.53 0.34 0.00 -0.02 0.00 0.00 54.58 53.15 3hmg n ASN 28 Cb 0.52 1.28 0.70 0.00 -2.36 0.00 0.00 39.78 39.92 3hmg n ASN 28 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3hmg h SER 29 N 0.66 0.10 -1.01 0.53 0.02 -1.95 -2.45 113.55 109.46 3hmg h SER 29 Ca -0.11 0.02 -0.44 0.00 -0.84 0.00 0.00 61.79 60.43 3hmg h SER 29 Cb 0.41 0.01 -0.41 0.00 0.14 0.00 0.00 62.40 62.55 3hmg h SER 29 CO 0.14 0.01 -0.98 -1.84 -1.14 0.00 0.00 176.83 173.02 3hmg n GLU 30 N -4.28 2.33 0.00 3.45 0.28 -1.26 -5.10 120.64 116.06 3hmg n GLU 30 Ca 0.27 -3.82 0.00 0.00 -0.16 0.00 0.00 57.16 53.45 3hmg n GLU 30 Cb 1.22 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 32.31 3hmg n GLU 30 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hmg n GLY 31 N -0.39 0.50 3.45 -1.84 0.00 -0.92 -5.04 105.19 100.95 3hmg n GLY 31 Ca 0.23 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3hmg n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hmg s THR 32 N 0.00 1.93 0.00 2.61 2.01 -1.26 -0.14 115.64 120.80 3hmg s THR 32 Ca 0.00 -2.20 0.00 0.00 0.31 0.00 0.00 61.69 59.80 3hmg s THR 32 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3hmg s THR 32 CO 0.00 -0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 3hmg n GLY 33 N -0.60 1.23 3.14 4.40 0.00 -0.34 -4.95 105.19 108.06 3hmg n GLY 33 Ca -0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3hmg n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hmg s GLN 34 N -2.00 0.75 -0.28 1.61 0.74 -1.26 0.83 119.66 120.05 3hmg s GLN 34 Ca 0.00 -1.11 -0.19 0.00 0.05 0.00 0.00 55.36 54.11 3hmg s GLN 34 Cb 0.00 -0.32 0.09 0.00 1.10 0.00 0.00 33.01 33.88 3hmg s GLN 34 CO 0.00 0.03 0.77 0.00 -0.55 0.00 0.00 175.29 175.54 3hmg s ALA 35 N -2.63 -1.92 0.38 1.58 0.00 0.29 -4.96 121.76 114.50 3hmg s ALA 35 Ca 0.04 2.26 -0.25 0.00 0.00 0.00 0.00 51.96 54.00 3hmg s ALA 35 Cb -0.02 -1.41 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 3hmg s ALA 35 CO -0.02 -0.35 1.07 0.00 0.00 0.00 0.00 175.76 176.46 3hmg s ALA 36 N 1.18 3.13 -0.24 0.00 0.00 -1.26 -0.59 121.76 123.98 3hmg s ALA 36 Ca -0.06 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.46 3hmg s ALA 36 Cb -0.05 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3hmg s ALA 36 CO -0.13 -0.25 0.60 0.34 0.00 0.00 0.00 175.76 176.32 3hmg s ASP 37 N -1.41 6.58 0.05 0.00 2.15 0.11 -4.86 116.67 119.28 3hmg s ASP 37 Ca 0.56 0.70 0.13 0.00 0.43 0.00 0.00 52.55 54.37 3hmg s ASP 37 Cb -0.25 -2.33 -0.17 0.00 -0.30 0.00 0.00 42.92 39.88 3hmg s ASP 37 CO 0.31 -0.32 0.89 -0.07 -0.17 0.00 0.00 175.17 175.80 3hmg h LEU 38 N 8.67 0.00 -0.36 -1.34 -0.00 -1.93 -3.00 115.31 117.34 3hmg h LEU 38 Ca -0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.49 3hmg h LEU 38 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.78 3hmg h LEU 38 CO 0.76 0.83 -0.16 0.11 -0.00 0.00 0.00 178.44 179.98 3hmg h LYS 39 N 0.00 0.74 -0.04 1.13 1.57 -1.97 0.79 116.57 118.79 3hmg h LYS 39 Ca -0.18 -0.32 -0.21 0.00 -1.87 0.00 0.00 60.65 58.07 3hmg h LYS 39 Cb 1.79 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.07 3hmg h LYS 39 CO 0.08 0.93 -0.85 0.66 -0.57 0.00 0.00 179.45 179.69 3hmg h SER 40 N 0.53 0.55 -0.65 0.86 4.64 -1.96 -1.15 113.55 116.38 3hmg h SER 40 Ca 0.08 -0.41 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3hmg h SER 40 Cb 0.70 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 3hmg h SER 40 CO 0.05 1.18 0.42 0.74 -0.87 0.00 0.00 176.83 178.36 3hmg h THR 41 N 0.28 1.14 -0.51 2.95 2.02 -1.37 -1.45 112.91 115.97 3hmg h THR 41 Ca -0.06 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 3hmg h THR 41 Cb 1.47 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3hmg h THR 41 CO 0.15 0.16 -0.09 -0.61 0.37 0.00 0.00 175.52 175.50 3hmg h GLN 42 N 0.85 0.94 -0.52 6.66 5.75 -0.71 -0.49 115.11 127.60 3hmg h GLN 42 Ca 0.24 -0.32 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3hmg h GLN 42 Cb -0.07 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 3hmg h GLN 42 CO -0.07 0.98 0.30 0.00 -2.65 0.00 0.00 178.83 177.39 3hmg h ALA 43 N 1.05 0.66 -0.44 3.38 0.00 -0.85 0.83 119.26 123.89 3hmg h ALA 43 Ca 0.14 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3hmg h ALA 43 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hmg h ALA 43 CO 0.04 -0.01 -0.17 0.00 0.00 0.00 0.00 179.25 179.12 3hmg h ALA 44 N 1.24 0.61 -0.44 0.00 0.00 -0.91 -2.88 119.26 116.88 3hmg h ALA 44 Ca 0.21 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3hmg h ALA 44 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hmg h ALA 44 CO -0.11 0.55 -0.04 0.82 0.00 0.00 0.00 179.25 180.47 3hmg h ILE 45 N 0.72 1.27 -0.63 0.00 2.04 -0.53 -1.90 117.51 118.47 3hmg h ILE 45 Ca 0.10 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3hmg h ILE 45 Cb 0.73 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 3hmg h ILE 45 CO 0.06 0.38 0.38 0.44 0.00 0.00 0.00 178.15 179.41 3hmg h ASP 46 N 0.64 0.76 -0.50 1.72 3.32 -0.88 0.05 116.42 121.52 3hmg h ASP 46 Ca 0.12 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3hmg h ASP 46 Cb 0.55 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3hmg h ASP 46 CO 0.03 0.60 -0.14 1.56 -1.72 0.00 0.00 179.24 179.57 3hmg h GLN 47 N 0.86 0.98 -0.49 3.56 4.20 -1.36 0.85 115.11 123.71 3hmg h GLN 47 Ca 0.23 -0.38 -0.09 0.00 0.06 0.00 0.00 58.65 58.47 3hmg h GLN 47 Cb -0.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3hmg h GLN 47 CO -0.04 1.06 -0.04 0.82 -0.67 0.00 0.00 178.83 179.95 3hmg h ILE 48 N 0.84 1.25 -0.16 2.54 2.04 -0.95 -1.60 117.51 121.47 3hmg h ILE 48 Ca 0.13 -1.10 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 3hmg h ILE 48 Cb 0.71 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3hmg h ILE 48 CO 0.05 0.39 -0.45 0.78 0.00 0.00 0.00 178.15 178.92 3hmg h ASN 49 N 0.78 0.43 -0.17 1.72 -0.26 -0.72 -1.01 115.58 116.35 3hmg h ASN 49 Ca 0.14 -0.20 0.05 0.00 -0.56 0.00 0.00 56.30 55.73 3hmg h ASN 49 Cb 0.53 -0.12 -0.05 0.00 -1.06 0.00 0.00 38.32 37.62 3hmg h ASN 49 CO 0.03 0.83 -0.14 1.23 -1.06 0.00 0.00 177.43 178.32 3hmg h GLY 50 N 1.18 -0.02 1.60 2.83 0.00 -0.21 0.15 103.07 108.59 3hmg h GLY 50 Ca 0.02 0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 3hmg h GLY 50 CO 0.08 -0.14 -0.66 0.07 0.00 0.00 0.00 176.54 175.89 3hmg h LYS 51 N -0.15 0.40 -0.60 4.80 2.10 -1.13 -2.80 116.57 119.19 3hmg h LYS 51 Ca 0.11 -0.30 0.01 0.00 -2.00 0.00 0.00 60.65 58.46 3hmg h LYS 51 Cb 0.30 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 3hmg h LYS 51 CO -0.26 0.92 0.40 1.25 -2.00 0.00 0.00 179.45 179.76 3hmg h LEU 52 N 0.29 0.69 -0.31 7.07 5.85 -0.39 -2.10 115.31 126.41 3hmg h LEU 52 Ca -0.02 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 3hmg h LEU 52 Cb 1.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3hmg h LEU 52 CO 0.11 0.50 -0.83 0.78 -0.34 0.00 0.00 178.44 178.66 3hmg h ASN 53 N 0.81 0.39 0.23 1.25 2.35 -0.80 -1.46 115.58 118.35 3hmg h ASN 53 Ca 0.22 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.58 3hmg h ASN 53 Cb -0.09 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3hmg h ASN 53 CO -0.05 1.06 -0.39 -0.09 -1.65 0.00 0.00 177.43 176.31 3hmg h ARG 54 N 0.19 0.23 -0.05 0.81 9.65 -1.14 -1.74 114.38 122.33 3hmg h ARG 54 Ca -0.05 -0.10 -0.25 0.00 -1.10 0.00 0.00 59.98 58.48 3hmg h ARG 54 Cb 1.44 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 30.03 3hmg h ARG 54 CO 0.14 0.59 -0.94 0.28 2.80 0.00 0.00 179.97 182.84 3hmg h VAL 55 N 0.19 1.28 0.00 0.20 2.07 -1.18 -3.10 116.25 115.71 3hmg h VAL 55 Ca 0.02 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3hmg h VAL 55 Cb 0.78 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3hmg h VAL 55 CO 0.06 0.67 0.00 -0.38 0.02 0.00 0.00 177.57 177.94 3hmg n ILE 56 N -3.90 0.00 -0.79 4.57 -0.00 -0.57 -4.87 119.36 113.80 3hmg n ILE 56 Ca -0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.36 3hmg n ILE 56 Cb 0.83 -0.33 0.23 0.00 -0.00 0.00 0.00 39.64 40.37 3hmg n ILE 56 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3hmg s GLU 57 N -2.00 -0.80 -0.28 0.38 2.02 -0.68 -4.80 118.70 112.53 3hmg s GLU 57 Ca 0.21 0.54 -0.26 0.00 0.02 0.00 0.00 54.97 55.48 3hmg s GLU 57 Cb 0.10 -1.59 -0.11 0.00 0.10 0.00 0.00 34.13 32.62 3hmg s GLU 57 CO 0.16 -3.56 1.03 1.17 0.02 0.00 0.00 175.26 174.08 3hmg n LYS 58 N -4.76 0.00 -2.40 1.61 3.00 -1.26 -4.94 118.16 109.41 3hmg n LYS 58 Ca 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.96 3hmg n LYS 58 Cb 0.56 -0.85 -0.04 0.00 0.00 0.00 0.00 35.03 34.70 3hmg n LYS 58 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3hmg s THR 59 N 2.37 3.32 0.13 3.15 -4.23 -1.26 -5.03 115.64 114.09 3hmg s THR 59 Ca 0.63 1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 62.29 3hmg s THR 59 Cb -0.85 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.07 3hmg s THR 59 CO 0.43 0.32 0.59 0.54 -0.54 0.00 0.00 174.62 175.96 3hmg s ASN 60 N -0.79 6.99 -0.08 3.99 4.22 -1.26 -5.07 114.94 122.94 3hmg s ASN 60 Ca 0.45 1.23 -0.00 0.00 -2.14 0.00 0.00 52.86 52.41 3hmg s ASN 60 Cb -0.34 -2.35 -0.03 0.00 1.28 0.00 0.00 41.25 39.82 3hmg s ASN 60 CO 0.44 0.17 -0.05 -1.83 -2.04 0.00 0.00 177.10 173.79 3hmg s GLU 61 N -1.55 2.87 0.05 3.55 -1.05 -1.26 -5.10 118.70 116.21 3hmg s GLU 61 Ca 0.34 -0.50 0.05 0.00 -0.15 0.00 0.00 54.97 54.71 3hmg s GLU 61 Cb -0.18 -2.67 -0.02 0.00 -0.44 0.00 0.00 34.13 30.82 3hmg s GLU 61 CO 0.20 0.65 -0.15 0.15 0.95 0.00 0.00 175.26 177.06 3hmg s LYS 62 N -0.76 0.92 0.00 -4.83 -0.14 -1.26 -5.12 119.74 108.55 3hmg s LYS 62 Ca 0.12 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.88 3hmg s LYS 62 Cb -0.11 -0.95 0.00 0.00 -1.68 0.00 0.00 37.83 35.09 3hmg s LYS 62 CO 0.02 0.23 0.00 1.19 -0.76 0.00 0.00 175.35 176.03 3hmg n PHE 63 N 1.68 0.00 -2.26 3.18 3.72 -1.26 -5.01 117.46 117.51 3hmg n PHE 63 Ca -0.19 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.78 3hmg n PHE 63 Cb 0.54 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 3hmg n PHE 63 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3hmg s HIS 64 N 1.78 2.49 0.00 1.38 2.46 -1.26 -4.96 115.29 117.19 3hmg s HIS 64 Ca 0.00 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.21 3hmg s HIS 64 Cb 0.00 -3.68 0.00 0.00 -0.13 0.00 0.00 32.58 28.77 3hmg s HIS 64 CO 0.00 -2.56 0.00 1.04 -2.47 0.00 0.00 174.74 170.75 3hmg n GLN 65 N 6.84 0.59 -4.08 2.88 6.02 -1.26 -5.16 117.38 123.22 3hmg n GLN 65 Ca 0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.91 3hmg n GLN 65 Cb 0.44 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.64 3hmg n GLN 65 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3hmg s ILE 66 N 4.01 2.71 0.20 5.09 -4.36 -1.26 -5.11 121.20 122.49 3hmg s ILE 66 Ca 0.00 -1.68 -0.29 0.00 -0.26 0.00 0.00 60.65 58.42 3hmg s ILE 66 Cb 0.00 -2.97 -0.08 0.00 1.25 0.00 0.00 42.46 40.65 3hmg s ILE 66 CO 0.00 -0.11 0.89 -1.61 0.24 0.00 0.00 174.94 174.36 3hmg s GLU 67 N -3.88 4.76 0.00 0.37 0.41 -1.26 -4.95 118.70 114.14 3hmg s GLU 67 Ca 0.40 1.38 0.06 0.00 -0.41 0.00 0.00 54.97 56.40 3hmg s GLU 67 Cb -0.00 -3.29 0.09 0.00 -1.78 0.00 0.00 34.13 29.15 3hmg s GLU 67 CO 0.23 0.50 0.85 1.63 -0.49 0.00 0.00 175.26 177.99 3hmg n LYS 68 N 1.66 0.96 -3.91 1.61 4.76 -1.26 -4.88 118.16 117.11 3hmg n LYS 68 Ca -0.03 -1.20 -0.12 0.00 -2.87 0.00 0.00 58.31 54.09 3hmg n LYS 68 Cb 0.48 -1.13 -0.14 0.00 -1.84 0.00 0.00 35.03 32.40 3hmg n LYS 68 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3hmg s GLU 69 N -0.69 0.07 0.07 1.97 2.02 -1.26 -5.07 118.70 115.82 3hmg s GLU 69 Ca 0.09 -0.08 0.05 0.00 0.02 0.00 0.00 54.97 55.05 3hmg s GLU 69 Cb 0.06 -0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.23 3hmg s GLU 69 CO 0.08 0.01 -0.15 -0.06 0.02 0.00 0.00 175.26 175.16 3hmg s PHE 70 N -0.16 1.27 -0.73 1.61 0.08 -1.26 -5.05 117.98 113.74 3hmg s PHE 70 Ca -0.01 -0.43 0.09 0.00 0.12 0.00 0.00 56.93 56.70 3hmg s PHE 70 Cb -0.01 -0.72 -0.03 0.00 -0.57 0.00 0.00 43.02 41.69 3hmg s PHE 70 CO -0.00 0.06 0.54 -1.13 -0.10 0.00 0.00 175.22 174.60 3hmg n SER 71 N 1.40 0.96 -4.30 1.36 3.41 -1.26 -5.02 113.62 110.17 3hmg n SER 71 Ca -0.20 -0.98 -0.16 0.00 -0.26 0.00 0.00 58.87 57.27 3hmg n SER 71 Cb 0.54 0.62 -0.10 0.00 -0.26 0.00 0.00 64.21 65.01 3hmg n SER 71 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hmg s GLU 72 N -1.45 1.32 -0.25 4.33 -6.30 -1.26 -5.12 118.70 109.98 3hmg s GLU 72 Ca 0.06 -1.69 -0.12 0.00 -2.50 0.00 0.00 54.97 50.72 3hmg s GLU 72 Cb 0.07 -0.31 -0.05 0.00 0.00 0.00 0.00 34.13 33.85 3hmg s GLU 72 CO 0.27 -0.23 0.25 0.08 0.02 0.00 0.00 175.26 175.66 3hmg s VAL 73 N -3.69 5.28 -0.00 3.70 1.01 -1.26 -4.94 120.40 120.50 3hmg s VAL 73 Ca 0.33 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3hmg s VAL 73 Cb 0.07 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 3hmg s VAL 73 CO 0.10 0.27 0.01 -0.62 0.00 0.00 0.00 175.10 174.86 3hmg n GLU 74 N 4.68 1.32 0.00 2.72 1.02 -1.26 -5.12 120.64 124.00 3hmg n GLU 74 Ca -0.12 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 3hmg n GLU 74 Cb 0.52 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.93 3hmg n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hmg n GLY 75 N 2.64 0.79 0.30 0.62 0.00 -1.26 -4.75 105.19 103.54 3hmg n GLY 75 Ca -0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 3hmg n GLY 75 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hmg h ARG 76 N 0.00 -0.51 0.00 1.61 2.43 -1.99 -0.34 114.38 115.57 3hmg h ARG 76 Ca 0.00 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3hmg h ARG 76 Cb 0.00 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hmg h ARG 76 CO 0.00 -0.34 -0.35 0.97 -1.51 0.00 0.00 179.97 178.74 3hmg h ILE 77 N -0.53 1.23 0.01 1.20 6.09 -2.00 -2.47 117.51 121.04 3hmg h ILE 77 Ca 0.01 -1.21 -0.21 0.00 -1.37 0.00 0.00 64.86 62.08 3hmg h ILE 77 Cb 0.52 1.66 -0.01 0.00 0.47 0.00 0.00 36.82 39.46 3hmg h ILE 77 CO -0.10 0.34 -0.93 -0.61 -3.07 0.00 0.00 178.15 173.78 3hmg h GLN 78 N 0.00 0.26 -0.82 2.19 4.15 -1.65 -1.75 115.11 117.48 3hmg h GLN 78 Ca -0.00 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.15 3hmg h GLN 78 Cb 0.63 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 3hmg h GLN 78 CO 0.05 1.02 0.54 -0.44 -1.93 0.00 0.00 178.83 178.07 3hmg h ASP 79 N 0.14 0.89 -0.09 -0.69 3.32 -0.67 -0.64 116.42 118.69 3hmg h ASP 79 Ca -0.06 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3hmg h ASP 79 Cb 1.57 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3hmg h ASP 79 CO 0.15 0.62 -0.24 0.25 -1.72 0.00 0.00 179.24 178.30 3hmg h LEU 80 N 1.04 0.36 -0.77 1.55 5.85 -1.02 -1.10 115.31 121.23 3hmg h LEU 80 Ca 0.32 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.53 3hmg h LEU 80 Cb -0.00 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.85 3hmg h LEU 80 CO -0.09 0.90 0.42 -0.33 -0.34 0.00 0.00 178.44 179.00 3hmg h GLU 81 N -0.15 0.69 -0.33 1.25 5.08 -1.00 -0.08 114.58 120.04 3hmg h GLU 81 Ca -0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3hmg h GLU 81 Cb 0.86 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3hmg h GLU 81 CO 0.05 0.45 0.06 0.87 -1.00 0.00 0.00 179.01 179.44 3hmg h LYS 82 N 0.71 0.55 -0.76 2.33 1.57 -1.03 -2.84 116.57 117.09 3hmg h LYS 82 Ca 0.37 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3hmg h LYS 82 Cb 0.35 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 3hmg h LYS 82 CO -0.25 0.63 0.39 -0.92 -0.57 0.00 0.00 179.45 178.74 3hmg h TYR 83 N 0.38 1.05 -0.39 -1.35 5.03 0.00 -0.73 116.97 120.96 3hmg h TYR 83 Ca 0.10 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 3hmg h TYR 83 Cb 0.35 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 3hmg h TYR 83 CO 0.02 0.74 0.12 0.28 -1.32 0.00 0.00 178.16 178.01 3hmg h VAL 84 N 1.07 1.22 0.02 1.81 2.07 -1.00 -0.31 116.25 121.12 3hmg h VAL 84 Ca 0.27 -0.71 -0.22 0.00 0.82 0.00 0.00 66.70 66.86 3hmg h VAL 84 Cb 0.06 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3hmg h VAL 84 CO -0.04 0.25 -0.95 -0.08 0.02 0.00 0.00 177.57 176.77 3hmg h GLU 85 N 0.48 0.27 -0.18 1.57 4.57 -1.20 -1.39 114.58 118.70 3hmg h GLU 85 Ca 0.12 -0.31 -0.13 0.00 -1.18 0.00 0.00 59.36 57.86 3hmg h GLU 85 Cb 0.26 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3hmg h GLU 85 CO -0.00 1.04 -0.46 0.22 -1.18 0.00 0.00 179.01 178.62 3hmg h ASP 86 N 0.14 0.48 1.00 1.04 3.58 -1.04 -0.70 116.42 120.92 3hmg h ASP 86 Ca -0.07 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.03 3hmg h ASP 86 Cb 1.59 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 3hmg h ASP 86 CO 0.15 0.88 -0.60 0.71 -2.88 0.00 0.00 179.24 177.50 3hmg h THR 87 N 0.36 1.18 -0.49 2.25 1.35 -0.87 -1.91 112.91 114.78 3hmg h THR 87 Ca 0.02 -2.26 -0.03 0.00 -0.55 0.00 0.00 66.41 63.59 3hmg h THR 87 Cb 0.95 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.66 3hmg h THR 87 CO 0.08 0.59 0.18 0.50 -0.25 0.00 0.00 175.52 176.62 3hmg h LYS 88 N 0.00 0.75 -0.36 4.72 3.64 -0.64 -2.41 116.57 122.27 3hmg h LYS 88 Ca -0.01 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 3hmg h LYS 88 Cb 1.26 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3hmg h LYS 88 CO 0.08 0.68 -0.06 0.82 -2.27 0.00 0.00 179.45 178.70 3hmg h ILE 89 N 0.66 1.27 -0.08 2.00 2.04 -0.82 -0.81 117.51 121.78 3hmg h ILE 89 Ca 0.16 -1.11 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 3hmg h ILE 89 Cb 0.23 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3hmg h ILE 89 CO -0.01 0.36 -0.37 0.44 0.00 0.00 0.00 178.15 178.58 3hmg h ASP 90 N 0.47 0.16 -0.39 1.72 3.32 -1.32 0.57 116.42 120.94 3hmg h ASP 90 Ca 0.09 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 3hmg h ASP 90 Cb 0.56 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3hmg h ASP 90 CO 0.03 0.52 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.68 3hmg h LEU 91 N 0.13 0.96 -0.78 1.55 3.38 -1.10 -0.45 115.31 119.00 3hmg h LEU 91 Ca 0.01 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 3hmg h LEU 91 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3hmg h LEU 91 CO 0.05 1.21 -0.54 -0.50 0.09 0.00 0.00 178.44 178.75 3hmg h TRP 92 N 0.73 0.00 -0.21 1.13 4.06 -0.76 -2.13 115.95 118.77 3hmg h TRP 92 Ca 0.07 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.86 3hmg h TRP 92 Cb 0.91 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 3hmg h TRP 92 CO 0.06 0.54 -0.55 0.77 -3.56 0.00 0.00 178.44 175.71 3hmg h SER 93 N 0.00 0.69 -0.11 -3.49 0.02 -0.57 -0.69 113.55 109.40 3hmg h SER 93 Ca -0.01 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3hmg h SER 93 Cb 1.05 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 3hmg h SER 93 CO 0.07 1.10 0.04 0.22 -1.14 0.00 0.00 176.83 177.12 3hmg h TYR 94 N 0.48 0.17 -0.62 3.45 5.03 -1.00 -1.60 116.97 122.87 3hmg h TYR 94 Ca 0.01 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.42 3hmg h TYR 94 Cb 1.10 -0.05 -0.09 0.00 1.55 0.00 0.00 36.73 39.25 3hmg h TYR 94 CO 0.05 0.27 0.16 -0.91 -1.32 0.00 0.00 178.16 176.41 3hmg h ASN 95 N 0.01 0.06 -0.04 -2.11 2.35 -1.12 -0.18 115.58 114.55 3hmg h ASN 95 Ca 0.04 0.11 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 3hmg h ASN 95 Cb 0.18 0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3hmg h ASN 95 CO -0.00 0.03 -0.36 0.00 -1.65 0.00 0.00 177.43 175.45 3hmg h ALA 96 N 1.48 0.92 -0.54 -0.83 0.00 -0.77 -2.26 119.26 117.26 3hmg h ALA 96 Ca 0.32 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3hmg h ALA 96 Cb 0.48 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hmg h ALA 96 CO -0.39 0.62 -0.09 1.49 0.00 0.00 0.00 179.25 180.88 3hmg h GLU 97 N 0.45 1.02 -0.06 0.00 4.57 -0.22 -1.80 114.58 118.54 3hmg h GLU 97 Ca 0.05 -0.37 -0.17 0.00 -1.18 0.00 0.00 59.36 57.68 3hmg h GLU 97 Cb 0.84 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3hmg h GLU 97 CO 0.07 1.06 -0.71 1.25 -1.18 0.00 0.00 179.01 179.50 3hmg h LEU 98 N 0.90 0.37 0.37 1.64 5.85 -1.02 -2.67 115.31 120.75 3hmg h LEU 98 Ca 0.14 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 3hmg h LEU 98 Cb 0.66 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3hmg h LEU 98 CO 0.05 0.96 -0.18 0.25 -0.34 0.00 0.00 178.44 179.18 3hmg h LEU 99 N 0.22 -0.42 -0.93 2.25 5.85 -0.80 -0.66 115.31 120.81 3hmg h LEU 99 Ca -0.02 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 3hmg h LEU 99 Cb 1.27 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3hmg h LEU 99 CO 0.12 -0.21 -0.44 -0.37 -0.34 0.00 0.00 178.44 177.20 3hmg h VAL 100 N -0.61 1.07 0.01 1.05 -1.51 -1.40 -0.32 116.25 114.53 3hmg h VAL 100 Ca -0.05 -1.66 -0.00 0.00 -1.23 0.00 0.00 66.70 63.76 3hmg h VAL 100 Cb 0.45 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3hmg h VAL 100 CO 0.08 0.43 -0.00 0.00 -1.23 0.00 0.00 177.57 176.85 3hmg h ALA 101 N 1.56 -0.01 0.64 5.19 0.00 -1.17 -0.03 119.26 125.43 3hmg h ALA 101 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3hmg h ALA 101 Cb 0.93 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hmg h ALA 101 CO 0.06 -0.45 -0.31 -0.07 0.00 0.00 0.00 179.25 178.48 3hmg h LEU 102 N -0.12 -0.72 -0.57 0.00 3.38 -0.83 -2.09 115.31 114.36 3hmg h LEU 102 Ca -0.00 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3hmg h LEU 102 Cb 0.11 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3hmg h LEU 102 CO 0.00 -0.51 -0.06 -0.33 0.09 0.00 0.00 178.44 177.63 3hmg h GLU 103 N -0.87 0.06 -0.58 1.13 4.39 -1.03 -0.34 114.58 117.34 3hmg h GLU 103 Ca -0.09 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3hmg h GLU 103 Cb 0.66 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 3hmg h GLU 103 CO 0.14 0.04 0.08 -0.91 -1.16 0.00 0.00 179.01 177.20 3hmg h ASN 104 N 0.06 0.89 0.06 1.42 2.35 -0.93 0.11 115.58 119.54 3hmg h ASN 104 Ca 0.28 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3hmg h ASN 104 Cb 0.45 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3hmg h ASN 104 CO -0.53 0.91 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.52 3hmg h GLN 105 N 0.88 -0.08 -0.31 0.81 5.75 -0.57 -1.69 115.11 119.90 3hmg h GLN 105 Ca 0.18 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3hmg h GLN 105 Cb 0.41 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 3hmg h GLN 105 CO 0.01 0.04 0.04 1.25 -2.65 0.00 0.00 178.83 177.52 3hmg h HIS 106 N -0.18 0.47 -0.20 3.99 2.76 -0.31 -2.39 115.15 119.29 3hmg h HIS 106 Ca -0.01 -0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 57.96 3hmg h HIS 106 Cb 0.16 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 3hmg h HIS 106 CO -0.04 0.44 -0.58 1.15 -1.30 0.00 0.00 177.93 177.60 3hmg h THR 107 N 0.45 1.31 -0.50 6.26 2.02 -0.28 0.49 112.91 122.67 3hmg h THR 107 Ca 0.10 -1.82 -0.07 0.00 0.77 0.00 0.00 66.41 65.39 3hmg h THR 107 Cb 0.24 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3hmg h THR 107 CO 0.00 0.57 0.02 0.40 0.37 0.00 0.00 175.52 176.88 3hmg h ILE 108 N 0.49 1.24 0.00 3.11 2.04 -0.89 -2.02 117.51 121.48 3hmg h ILE 108 Ca 0.00 -0.99 -0.18 0.00 1.00 0.00 0.00 64.86 64.69 3hmg h ILE 108 Cb 1.15 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 3hmg h ILE 108 CO 0.11 0.35 -0.87 0.44 0.00 0.00 0.00 178.15 178.19 3hmg h ASP 109 N 0.77 0.00 0.05 1.72 3.32 -1.20 -1.99 116.42 119.09 3hmg h ASP 109 Ca 0.15 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3hmg h ASP 109 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3hmg h ASP 109 CO 0.02 0.87 -0.02 0.25 -1.72 0.00 0.00 179.24 178.63 3hmg h LEU 110 N 0.00 -0.06 -1.33 1.55 6.46 -0.68 0.74 115.31 121.99 3hmg h LEU 110 Ca -0.01 -0.15 -0.07 0.00 -0.12 0.00 0.00 57.88 57.53 3hmg h LEU 110 Cb 1.57 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.50 3hmg h LEU 110 CO 0.11 0.12 -0.32 0.71 -0.62 0.00 0.00 178.44 178.44 3hmg h THR 111 N -0.23 1.06 -0.49 1.05 1.35 -1.41 -1.10 112.91 113.14 3hmg h THR 111 Ca -0.01 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 64.65 3hmg h THR 111 Cb 0.21 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.26 3hmg h THR 111 CO 0.01 0.31 0.15 -0.78 -0.25 0.00 0.00 175.52 174.96 3hmg h ASP 112 N 0.00 0.72 -0.27 5.36 1.82 -1.06 -2.30 116.42 120.69 3hmg h ASP 112 Ca -0.00 -0.21 -0.00 0.00 -0.39 0.00 0.00 57.03 56.43 3hmg h ASP 112 Cb 0.63 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 3hmg h ASP 112 CO 0.04 0.74 0.17 -1.28 -1.61 0.00 0.00 179.24 177.30 3hmg h SER 113 N 0.66 0.32 -0.36 2.28 0.87 -0.16 -1.47 113.55 115.69 3hmg h SER 113 Ca 0.16 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3hmg h SER 113 Cb 0.28 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3hmg h SER 113 CO -0.00 0.27 0.04 -0.33 -0.53 0.00 0.00 176.83 176.27 3hmg h GLU 114 N 0.35 0.70 -0.20 2.24 4.39 -1.07 0.24 114.58 121.23 3hmg h GLU 114 Ca 0.10 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3hmg h GLU 114 Cb -0.00 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3hmg h GLU 114 CO -0.02 0.69 0.13 1.98 -1.16 0.00 0.00 179.01 180.62 3hmg h MET 115 N 0.66 0.28 -0.60 2.33 4.05 -1.09 -1.83 114.93 118.72 3hmg h MET 115 Ca 0.14 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 3hmg h MET 115 Cb 0.36 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 3hmg h MET 115 CO 0.01 0.22 0.30 -0.97 0.23 0.00 0.00 176.91 176.70 3hmg h ASN 116 N 0.25 0.78 -0.68 1.39 -1.24 -0.20 -1.82 115.58 114.06 3hmg h ASN 116 Ca 0.07 -0.12 -0.05 0.00 0.71 0.00 0.00 56.30 56.91 3hmg h ASN 116 Cb 0.01 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 3hmg h ASN 116 CO -0.01 0.68 0.25 0.11 -1.29 0.00 0.00 177.43 177.17 3hmg h LYS 117 N 0.82 1.05 -0.58 6.67 1.57 -0.24 -0.21 116.57 125.65 3hmg h LYS 117 Ca 0.21 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3hmg h LYS 117 Cb 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 3hmg h LYS 117 CO -0.03 0.88 0.27 1.25 -0.57 0.00 0.00 179.45 181.25 3hmg h LEU 118 N 1.02 0.77 0.07 2.94 6.46 -0.99 -0.21 115.31 125.37 3hmg h LEU 118 Ca 0.23 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 3hmg h LEU 118 Cb 0.24 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3hmg h LEU 118 CO -0.01 0.69 -0.03 0.15 -0.62 0.00 0.00 178.44 178.62 3hmg h PHE 119 N 0.79 -0.08 -0.68 1.25 3.57 -0.41 -0.24 116.94 121.14 3hmg h PHE 119 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3hmg h PHE 119 Cb 0.13 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3hmg h PHE 119 CO 0.00 0.05 0.34 0.93 -2.23 0.00 0.00 178.31 177.40 3hmg h GLU 120 N -0.19 0.96 -0.44 1.11 4.39 -0.93 0.14 114.58 119.61 3hmg h GLU 120 Ca -0.01 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.47 3hmg h GLU 120 Cb 0.17 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3hmg h GLU 120 CO 0.01 0.73 -0.10 -0.22 -1.16 0.00 0.00 179.01 178.27 3hmg h LYS 121 N 0.96 0.85 -0.58 2.33 3.64 -0.74 -1.10 116.57 121.93 3hmg h LYS 121 Ca 0.24 -0.32 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3hmg h LYS 121 Cb 0.08 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3hmg h LYS 121 CO -0.03 0.95 -0.02 1.15 -2.27 0.00 0.00 179.45 179.23 3hmg h THR 122 N 0.68 1.26 -0.11 1.00 2.02 -0.39 -2.90 112.91 114.48 3hmg h THR 122 Ca 0.11 -1.17 0.02 0.00 0.77 0.00 0.00 66.41 66.14 3hmg h THR 122 Cb 0.64 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3hmg h THR 122 CO 0.04 0.42 -0.02 -0.09 0.37 0.00 0.00 175.52 176.25 3hmg h ARG 123 N 0.94 0.02 -0.35 6.66 2.43 -0.65 -2.55 114.38 120.88 3hmg h ARG 123 Ca 0.16 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hmg h ARG 123 Cb 0.58 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3hmg h ARG 123 CO 0.03 0.01 0.22 0.00 -1.51 0.00 0.00 179.97 178.73 3hmg h ARG 124 N 0.02 0.46 -0.36 0.20 3.08 -1.05 -2.02 114.38 114.70 3hmg h ARG 124 Ca 0.05 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 3hmg h ARG 124 Cb 0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3hmg h ARG 124 CO -0.10 0.31 -0.41 0.37 -1.07 0.00 0.00 179.97 179.06 3hmg h GLN 125 N 0.47 0.91 0.00 0.04 4.15 -1.27 -3.04 115.11 116.38 3hmg h GLN 125 Ca 0.13 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3hmg h GLN 125 Cb -0.04 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3hmg h GLN 125 CO -0.03 1.15 0.00 1.28 -1.93 0.00 0.00 178.83 179.30 3hmg n LEU 126 N -4.05 0.00 0.00 -2.39 4.77 -0.77 -4.62 117.00 109.95 3hmg n LEU 126 Ca -0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3hmg n LEU 126 Cb 0.56 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3hmg n LEU 126 CO 0.49 -0.10 0.00 0.54 -1.33 0.00 0.00 177.39 176.99 3hmg n ARG 127 N -1.28 0.00 -0.58 3.23 5.12 -1.15 -1.17 116.66 120.83 3hmg n ARG 127 Ca 0.09 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.08 3hmg n ARG 127 Cb 0.15 0.00 0.29 0.00 -1.16 0.00 0.00 32.46 31.74 3hmg n ARG 127 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hmg n GLU 128 N 12.00 3.54 0.00 5.56 -0.58 -1.26 -4.14 120.64 135.75 3hmg n GLU 128 Ca 0.00 -2.29 0.10 0.00 -0.42 0.00 0.00 57.16 54.55 3hmg n GLU 128 Cb 0.00 -1.92 -0.03 0.00 -0.57 0.00 0.00 31.44 28.92 3hmg n GLU 128 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hmg n ASN 129 N 0.64 1.64 -4.10 1.62 3.02 -0.32 -4.57 115.26 113.20 3hmg n ASN 129 Ca 0.20 -1.32 -0.09 0.00 -0.03 0.00 0.00 54.58 53.35 3hmg n ASN 129 Cb 0.84 0.61 -0.10 0.00 -0.61 0.00 0.00 39.78 40.52 3hmg n ASN 129 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmg s ALA 130 N -2.41 0.59 0.08 5.41 0.00 -1.25 -0.62 121.76 123.55 3hmg s ALA 130 Ca 0.14 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.05 3hmg s ALA 130 Cb 0.16 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3hmg s ALA 130 CO 0.58 -0.28 -0.22 -1.21 0.00 0.00 0.00 175.76 174.63 3hmg s GLU 131 N -3.42 1.32 -0.32 0.00 2.02 -0.28 -4.93 118.70 113.09 3hmg s GLU 131 Ca 0.04 -1.09 -0.28 0.00 0.02 0.00 0.00 54.97 53.66 3hmg s GLU 131 Cb 0.04 -1.55 0.02 0.00 0.10 0.00 0.00 34.13 32.74 3hmg s GLU 131 CO -0.07 0.38 1.03 -2.00 0.02 0.00 0.00 175.26 174.63 3hmg s GLU 132 N -1.56 4.04 0.00 1.61 2.12 -1.26 -0.56 118.70 123.09 3hmg s GLU 132 Ca 0.08 0.98 0.23 0.00 0.36 0.00 0.00 54.97 56.62 3hmg s GLU 132 Cb -0.09 -3.74 1.28 0.00 0.26 0.00 0.00 34.13 31.83 3hmg s GLU 132 CO 0.03 -0.88 1.75 -1.33 -0.54 0.00 0.00 175.26 174.29 3hmg n MET 133 N 6.80 0.54 -1.12 4.30 2.81 0.18 -4.86 117.12 125.77 3hmg n MET 133 Ca 0.11 0.03 -0.04 0.00 -1.81 0.00 0.00 57.70 55.99 3hmg n MET 133 Cb 0.47 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.47 3hmg n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hmg n GLY 134 N 0.53 0.69 0.93 3.03 0.00 -1.26 -4.85 105.19 104.26 3hmg n GLY 134 Ca 0.14 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.41 3hmg n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hmg n ASN 135 N 1.15 0.90 0.00 1.61 6.94 -1.26 -4.92 115.26 119.68 3hmg n ASN 135 Ca -0.04 -2.36 0.00 0.00 -0.02 0.00 0.00 54.58 52.16 3hmg n ASN 135 Cb 0.14 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 3hmg n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hmg n GLY 136 N -0.06 1.41 3.55 4.83 0.00 -1.24 -4.64 105.19 109.04 3hmg n GLY 136 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3hmg n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmg s PHE 138 N 0.47 3.69 -0.32 0.00 0.40 -1.26 -0.65 117.98 120.32 3hmg s PHE 138 Ca -0.00 1.11 -0.19 0.00 -0.60 0.00 0.00 56.93 57.25 3hmg s PHE 138 Cb -0.13 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 40.89 3hmg s PHE 138 CO 0.02 0.44 0.57 0.21 0.70 0.00 0.00 175.22 177.16 3hmg s LYS 139 N -0.47 3.82 -0.16 0.44 2.20 0.28 -4.91 119.74 120.94 3hmg s LYS 139 Ca 0.28 0.13 -0.21 0.00 -0.36 0.00 0.00 55.97 55.81 3hmg s LYS 139 Cb -0.18 -3.75 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3hmg s LYS 139 CO 0.15 -0.57 0.62 0.42 -0.36 0.00 0.00 175.35 175.61 3hmg s ILE 140 N 2.50 5.05 -0.38 5.43 1.01 -1.26 -1.13 121.20 132.42 3hmg s ILE 140 Ca 0.22 1.21 -0.01 0.00 0.00 0.00 0.00 60.65 62.08 3hmg s ILE 140 Cb -0.15 -3.95 0.29 0.00 0.01 0.00 0.00 42.46 38.66 3hmg s ILE 140 CO 0.12 0.17 1.95 -1.22 0.00 0.00 0.00 174.94 175.97 3hmg n TYR 141 N 4.56 1.94 -3.48 3.97 4.02 0.21 -4.87 117.16 123.50 3hmg n TYR 141 Ca -0.02 -2.09 -0.14 0.00 -0.01 0.00 0.00 57.90 55.64 3hmg n TYR 141 Cb 0.50 -1.01 -0.04 0.00 -0.02 0.00 0.00 39.34 38.77 3hmg n TYR 141 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 176.86 172.47 3hmg s HIS 142 N -2.26 -0.55 -0.05 -0.72 -3.43 -1.26 -3.54 115.29 103.48 3hmg s HIS 142 Ca 0.38 0.57 -0.30 0.00 -0.80 0.00 0.00 55.06 54.92 3hmg s HIS 142 Cb 0.30 0.48 -0.07 0.00 -1.43 0.00 0.00 32.58 31.86 3hmg s HIS 142 CO 0.01 -0.75 1.84 0.21 -2.00 0.00 0.00 174.74 174.05 3hmg s LYS 143 N -2.82 4.03 -0.33 -0.38 2.20 -1.26 -4.93 119.74 116.24 3hmg s LYS 143 Ca -0.03 2.31 0.02 0.00 -0.36 0.00 0.00 55.97 57.91 3hmg s LYS 143 Cb -0.01 -4.11 0.10 0.00 -1.51 0.00 0.00 37.83 32.31 3hmg s LYS 143 CO -0.05 -1.06 0.07 0.00 -0.36 0.00 0.00 175.35 173.96 3hmg n ASP 145 N 4.44 -0.30 0.26 0.00 5.68 -1.26 -4.28 116.55 121.09 3hmg n ASP 145 Ca 0.02 -1.21 0.11 0.00 -0.50 0.00 0.00 54.79 53.22 3hmg n ASP 145 Cb 0.42 -0.61 0.70 0.00 -1.14 0.00 0.00 41.12 40.49 3hmg n ASP 145 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3hmg h ASN 146 N -1.25 0.00 0.12 -1.12 2.35 -1.99 -0.63 115.58 113.06 3hmg h ASN 146 Ca -0.26 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.28 3hmg h ASN 146 Cb 0.72 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.09 3hmg h ASN 146 CO 0.18 0.12 -0.84 0.00 -1.65 0.00 0.00 177.43 175.24 3hmg h ALA 147 N 1.88 0.39 -0.02 -0.83 0.00 -1.98 -0.14 119.26 118.56 3hmg h ALA 147 Ca -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 54.91 54.29 3hmg h ALA 147 Cb 0.30 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hmg h ALA 147 CO 0.02 0.74 -0.10 0.00 0.00 0.00 0.00 179.25 179.91 3hmg h ILE 149 N -0.16 1.14 0.00 0.00 1.08 -1.01 -0.30 117.51 118.26 3hmg h ILE 149 Ca 0.04 -0.40 -0.06 0.00 -0.39 0.00 0.00 64.86 64.05 3hmg h ILE 149 Cb 0.21 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 3hmg h ILE 149 CO -0.11 0.21 -0.29 -0.33 -0.69 0.00 0.00 178.15 176.94 3hmg h GLU 150 N 1.17 0.00 -0.04 2.37 4.39 0.15 -1.81 114.58 120.81 3hmg h GLU 150 Ca 0.39 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.90 3hmg h GLU 150 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3hmg h GLU 150 CO -0.13 0.29 -0.77 0.66 -1.16 0.00 0.00 179.01 177.90 3hmg h SER 151 N 0.00 0.38 0.05 1.42 4.64 0.11 0.12 113.55 120.27 3hmg h SER 151 Ca -0.00 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hmg h SER 151 Cb 0.83 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3hmg h SER 151 CO 0.04 1.01 -0.02 0.40 -0.87 0.00 0.00 176.83 177.39 3hmg h ILE 152 N 0.20 1.11 -0.35 0.95 2.04 -1.02 0.48 117.51 120.92 3hmg h ILE 152 Ca -0.04 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3hmg h ILE 152 Cb 1.36 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.86 3hmg h ILE 152 CO 0.13 0.13 0.04 0.03 0.00 0.00 0.00 178.15 178.47 3hmg h ARG 153 N -0.29 0.59 -0.00 2.37 3.08 -1.25 -2.04 114.38 116.85 3hmg h ARG 153 Ca -0.01 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3hmg h ARG 153 Cb 0.26 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3hmg h ARG 153 CO 0.01 0.68 0.00 0.27 -1.07 0.00 0.00 179.97 179.86 3hmg n ASN 154 N -4.55 0.13 0.00 7.04 0.23 0.40 -4.91 115.26 113.61 3hmg n ASN 154 Ca -0.02 -1.06 0.00 0.00 -0.53 0.00 0.00 54.58 52.97 3hmg n ASN 154 Cb 0.24 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3hmg n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hmg n GLY 155 N 1.01 0.56 0.57 4.83 0.00 0.30 -4.95 105.19 107.50 3hmg n GLY 155 Ca 0.23 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.48 3hmg n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hmg n THR 156 N -2.84 1.04 -1.67 2.61 -2.24 0.14 -4.99 114.28 106.33 3hmg n THR 156 Ca 0.00 -1.03 -0.46 0.00 -2.27 0.00 0.00 64.05 60.29 3hmg n THR 156 Cb 0.05 0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.72 3hmg n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hmg n TYR 157 N 0.35 2.32 -3.52 4.78 4.19 -0.92 -4.93 117.16 119.43 3hmg n TYR 157 Ca 0.11 0.19 -0.41 0.00 3.31 0.00 0.00 57.90 61.09 3hmg n TYR 157 Cb 0.42 -2.58 -0.10 0.00 0.49 0.00 0.00 39.34 37.57 3hmg n TYR 157 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3hmg s ASP 158 N 1.56 5.99 0.32 2.98 3.68 -1.26 -4.95 116.67 125.00 3hmg s ASP 158 Ca 0.81 -0.70 0.10 0.00 2.13 0.00 0.00 52.55 54.89 3hmg s ASP 158 Cb -0.67 -2.12 0.55 0.00 -1.45 0.00 0.00 42.92 39.24 3hmg s ASP 158 CO 0.40 -0.34 1.74 1.12 0.13 0.00 0.00 175.17 178.22 3hmg h HIS 159 N 8.53 0.11 -0.92 -5.34 2.07 -1.93 -2.96 115.15 114.71 3hmg h HIS 159 Ca -0.29 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.20 3hmg h HIS 159 Cb 1.13 -0.03 -0.04 0.00 2.57 0.00 0.00 27.41 31.04 3hmg h HIS 159 CO 0.60 0.51 0.58 -0.44 -3.07 0.00 0.00 177.93 176.11 3hmg h ASP 160 N 0.08 1.08 -0.88 3.10 3.32 -1.96 -0.85 116.42 120.31 3hmg h ASP 160 Ca 0.01 -0.05 0.23 0.00 0.02 0.00 0.00 57.03 57.24 3hmg h ASP 160 Cb 0.79 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 39.93 3hmg h ASP 160 CO 0.06 0.81 0.24 0.58 -1.72 0.00 0.00 179.24 179.21 3hmg h VAL 161 N 1.26 0.32 -0.18 -1.35 2.07 -1.95 -1.21 116.25 115.20 3hmg h VAL 161 Ca 0.33 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.78 3hmg h VAL 161 Cb -0.09 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hmg h VAL 161 CO -0.07 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.34 3hmg n TYR 162 N -5.22 0.24 0.06 1.57 4.01 -0.66 -4.72 117.16 112.44 3hmg n TYR 162 Ca 0.21 -0.35 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 3hmg n TYR 162 Cb 0.68 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.64 3hmg n TYR 162 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3hmg h ARG 163 N 1.53 -0.43 -0.98 -0.72 2.43 0.10 -0.44 114.38 115.86 3hmg h ARG 163 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3hmg h ARG 163 Cb 0.57 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 3hmg h ARG 163 CO 0.00 -0.29 0.64 -0.44 -1.51 0.00 0.00 179.97 178.37 3hmg h ASP 164 N -0.45 1.05 0.75 -3.80 3.32 -1.85 0.16 116.42 115.61 3hmg h ASP 164 Ca 0.06 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3hmg h ASP 164 Cb 0.54 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.86 3hmg h ASP 164 CO -0.25 0.71 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.53 3hmg h GLU 165 N 1.21 -0.97 -0.14 3.56 4.81 -1.79 -1.41 114.58 119.85 3hmg h GLU 165 Ca 0.40 0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.73 3hmg h GLU 165 Cb 0.06 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 3hmg h GLU 165 CO -0.13 -0.63 -0.09 0.00 -0.73 0.00 0.00 179.01 177.42 3hmg h ALA 166 N -0.94 0.02 -0.50 2.92 0.00 -0.61 -0.81 119.26 119.34 3hmg h ALA 166 Ca -0.10 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3hmg h ALA 166 Cb 0.79 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hmg h ALA 166 CO 0.17 -0.54 0.27 1.25 0.00 0.00 0.00 179.25 180.40 3hmg h LEU 167 N -0.09 0.40 -0.17 0.00 5.85 -0.71 0.41 115.31 121.00 3hmg h LEU 167 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hmg h LEU 167 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hmg h LEU 167 CO -0.20 0.28 0.07 -1.13 -0.34 0.00 0.00 178.44 177.12 3hmg h ASN 168 N 0.52 0.22 0.28 1.25 -0.73 -0.72 -1.13 115.58 115.28 3hmg h ASN 168 Ca 0.22 -0.14 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 3hmg h ASN 168 Cb 0.10 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 3hmg h ASN 168 CO -0.14 0.31 -0.07 -1.13 -0.37 0.00 0.00 177.43 176.02 3hmg h ASN 169 N 0.13 0.00 0.05 1.15 -1.24 -0.60 -3.09 115.58 111.98 3hmg h ASN 169 Ca 0.06 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.83 3hmg h ASN 169 Cb 0.15 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3hmg h ASN 169 CO -0.01 0.07 -1.25 -0.09 -1.29 0.00 0.00 177.43 174.87 3hmg h ARG 170 N 0.00 0.11 -1.04 6.67 2.43 0.41 -3.38 114.38 119.58 3hmg h ARG 170 Ca -0.00 -0.19 -0.62 0.00 -0.81 0.00 0.00 59.98 58.36 3hmg h ARG 170 Cb 0.23 0.07 -0.28 0.00 -0.42 0.00 0.00 29.97 29.57 3hmg h ARG 170 CO 0.01 1.09 0.80 1.19 -1.51 0.00 0.00 179.97 181.55 3hmg n PHE 171 N -4.17 3.06 -1.97 2.20 3.72 -0.48 -4.93 117.46 114.87 3hmg n PHE 171 Ca -0.27 -2.73 -0.42 0.00 -0.05 0.00 0.00 57.45 53.98 3hmg n PHE 171 Cb 0.77 -1.32 -0.02 0.00 -0.94 0.00 0.00 39.48 37.97 3hmg n PHE 171 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3hmg s GLN 172 N -3.55 4.24 -0.22 -1.08 1.03 -1.18 -5.02 119.66 113.88 3hmg s GLN 172 Ca 0.60 2.34 0.00 0.00 0.04 0.00 0.00 55.36 58.35 3hmg s GLN 172 Cb 0.48 -3.12 0.03 0.00 0.03 0.00 0.00 33.01 30.43 3hmg s GLN 172 CO 0.01 -0.49 -0.13 0.42 -2.54 0.00 0.00 175.29 172.57 3hmg s ILE 173 N 0.30 2.43 -0.30 3.63 1.01 -1.26 -5.05 121.20 121.96 3hmg s ILE 173 Ca 0.62 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3hmg s ILE 173 Cb -0.43 -2.18 0.20 0.00 0.01 0.00 0.00 42.46 40.07 3hmg s ILE 173 CO 0.40 0.31 1.26 -0.75 0.00 0.00 0.00 174.94 176.16 3hmg s LYS 174 N 1.27 0.06 0.00 2.79 2.47 -1.26 -5.28 119.74 119.79 3hmg s LYS 174 Ca 0.01 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.52 3hmg s LYS 174 Cb -0.16 0.03 0.00 0.00 -1.46 0.00 0.00 37.83 36.24 3hmg s LYS 174 CO -0.08 -0.01 0.22 0.41 0.16 0.00 0.00 175.35 176.04