#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 -1.91 -3.00 115.31 114.77 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 0.08 -1.70 0.49 0.09 0.00 0.00 178.44 177.39 3hmg n PHE 3 N -3.66 0.00 -1.39 1.13 3.01 -1.26 -4.98 117.46 110.31 3hmg n PHE 3 Ca -0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.40 3hmg n PHE 3 Cb 0.19 -0.36 -0.01 0.00 -0.01 0.00 0.00 39.48 39.28 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 1.40 0.52 0.00 1.37 0.00 -1.14 -4.96 105.19 102.39 3hmg n GLY 4 Ca -0.02 -0.87 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.39 0.02 -1.94 4.61 0.00 -1.26 -0.61 120.51 121.71 3hmg n ALA 5 Ca -0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 3hmg n ALA 5 Cb 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 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 2.77 -1.14 0.00 1.01 -1.26 -0.62 121.20 120.90 3hmg s ILE 6 Ca -0.01 0.60 -0.01 0.00 0.00 0.00 0.00 60.65 61.23 3hmg s ILE 6 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 39.10 3hmg s ILE 6 CO 0.01 0.07 0.09 0.00 0.00 0.00 0.00 174.94 175.12 3hmg n ALA 7 N 3.10 -0.82 -2.20 9.38 0.00 -1.24 -4.26 120.51 124.49 3hmg n ALA 7 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3hmg n ALA 7 Cb 0.40 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.90 3.04 0.00 0.00 0.00 0.20 -4.88 105.19 102.65 3hmg n GLY 8 Ca -0.13 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.59 1.61 1.16 0.22 -3.65 117.46 113.21 3hmg n PHE 9 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 3hmg n PHE 9 Cb 0.00 -0.47 -0.10 0.00 -1.61 0.00 0.00 39.48 37.30 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 -2.94 4.33 0.36 1.97 1.01 -0.80 -3.72 121.20 121.41 3hmg s ILE 10 Ca 0.07 -1.28 0.10 0.00 0.00 0.00 0.00 60.65 59.54 3hmg s ILE 10 Cb 0.08 -3.60 0.33 0.00 0.01 0.00 0.00 42.46 39.28 3hmg s ILE 10 CO 0.21 -0.45 1.85 -0.33 0.00 0.00 0.00 174.94 176.22 3hmg h GLU 11 N 8.43 0.63 0.00 2.79 3.07 -1.83 -3.27 114.58 124.39 3hmg h GLU 11 Ca -0.24 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.55 3hmg h GLU 11 Cb 1.09 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 3hmg h GLU 11 CO 0.74 0.42 0.19 0.27 -1.40 0.00 0.00 179.01 179.23 3hmg n ASN 12 N -4.58 -1.69 -5.00 1.42 6.94 -1.26 -4.75 115.26 106.34 3hmg n ASN 12 Ca 0.19 -2.21 -0.17 0.00 -0.02 0.00 0.00 54.58 52.36 3hmg n ASN 12 Cb 0.53 2.83 0.01 0.00 -2.36 0.00 0.00 39.78 40.78 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 -2.56 1.96 -0.24 4.83 0.00 -1.26 -4.95 107.32 105.09 3hmg s GLY 13 Ca 0.13 -1.70 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 3hmg s GLY 13 CO 0.09 -1.51 0.03 -0.98 0.00 0.00 0.00 173.10 170.73 3hmg s TRP 14 N -2.37 3.04 -0.31 1.90 0.51 -1.26 -4.93 118.94 115.52 3hmg s TRP 14 Ca 0.55 -0.62 0.27 0.00 -2.12 0.00 0.00 56.10 54.17 3hmg s TRP 14 Cb -0.09 -2.19 0.79 0.00 -0.81 0.00 0.00 33.47 31.16 3hmg s TRP 14 CO 0.33 -0.43 1.76 0.93 -0.51 0.00 0.00 176.95 179.03 3hmg h GLU 15 N 8.19 0.00 0.00 4.98 5.08 -2.03 -3.12 114.58 127.68 3hmg h GLU 15 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3hmg h GLU 15 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hmg h GLU 15 CO 0.59 0.00 0.00 0.78 -1.00 0.00 0.00 179.01 179.38 3hmg h GLY 16 N 3.30 0.00 -7.29 -3.84 0.00 -2.03 -3.41 103.07 89.80 3hmg h GLY 16 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3hmg h GLY 16 CO 0.00 0.00 1.08 -0.29 0.00 0.00 0.00 176.54 177.33 3hmg s MET 17 N -3.60 3.29 0.00 4.80 -2.45 -1.18 -4.79 119.30 115.37 3hmg s MET 17 Ca 0.02 -0.60 0.25 0.00 -1.25 0.00 0.00 55.69 54.11 3hmg s MET 17 Cb 0.09 -4.50 0.51 0.00 1.25 0.00 0.00 34.83 32.18 3hmg s MET 17 CO 0.55 -2.10 1.43 0.44 1.05 0.00 0.00 175.02 176.39 3hmg n ILE 18 N 6.40 0.00 -0.64 10.11 -6.64 -1.26 -4.44 119.36 122.88 3hmg n ILE 18 Ca 0.10 -0.28 0.07 0.00 -1.77 0.00 0.00 62.75 60.87 3hmg n ILE 18 Cb 0.49 0.90 0.18 0.00 -1.44 0.00 0.00 39.64 39.77 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 0.21 3.16 0.00 7.28 3.85 -1.26 -5.05 116.55 124.74 3hmg n ASP 19 Ca 0.14 -2.60 0.00 0.00 -0.71 0.00 0.00 54.79 51.61 3hmg n ASP 19 Cb 0.44 -0.37 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 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 -0.33 1.23 0.08 6.12 0.00 -1.26 -4.77 105.19 106.25 3hmg n GLY 20 Ca 0.15 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.50 0.96 -4.28 1.61 7.02 -1.26 -4.92 117.44 116.07 3hmg n TRP 21 Ca 0.00 0.34 -0.19 0.00 -1.02 0.00 0.00 57.50 56.64 3hmg n TRP 21 Cb 0.00 -1.18 -0.11 0.00 -2.42 0.00 0.00 31.31 27.60 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 -2.59 1.54 -0.43 -5.99 2.02 -1.26 -5.02 117.35 105.62 3hmg s TYR 22 Ca -0.05 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 3hmg s TYR 22 Cb 0.08 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.86 3hmg s TYR 22 CO 0.82 0.22 0.00 0.41 -1.57 0.00 0.00 175.55 175.43 3hmg n GLY 23 N 0.26 -1.25 3.31 0.71 0.00 -1.26 -0.16 105.19 106.81 3hmg n GLY 23 Ca -0.13 -0.95 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.44 2.14 -0.04 1.61 0.40 0.03 -4.87 117.98 114.80 3hmg s PHE 24 Ca 0.00 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.97 3hmg s PHE 24 Cb 0.00 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.26 3hmg s PHE 24 CO 0.00 0.12 -0.14 1.03 0.70 0.00 0.00 175.22 176.93 3hmg s ARG 25 N -1.25 1.59 0.04 0.44 0.52 -1.26 -0.38 118.95 118.66 3hmg s ARG 25 Ca 0.10 -0.50 -0.00 0.00 -0.52 0.00 0.00 55.73 54.81 3hmg s ARG 25 Cb -0.10 -1.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 3hmg s ARG 25 CO 0.02 0.16 -0.03 -3.38 0.02 0.00 0.00 175.30 172.09 3hmg s HIS 26 N 0.22 0.43 -0.09 -0.53 -3.43 -0.49 -5.00 115.29 106.40 3hmg s HIS 26 Ca -0.06 -0.84 -0.01 0.00 -0.80 0.00 0.00 55.06 53.35 3hmg s HIS 26 Cb -0.12 -0.32 0.03 0.00 -1.43 0.00 0.00 32.58 30.74 3hmg s HIS 26 CO 0.02 -0.29 -0.03 -1.14 -2.00 0.00 0.00 174.74 171.30 3hmg s GLN 27 N -2.89 1.02 0.11 -0.38 0.74 -1.26 -1.98 119.66 115.02 3hmg s GLN 27 Ca -0.02 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.32 3hmg s GLN 27 Cb 0.00 -1.23 -0.04 0.00 1.10 0.00 0.00 33.01 32.84 3hmg s GLN 27 CO -0.06 -0.28 0.04 0.54 -0.55 0.00 0.00 175.29 174.98 3hmg s ASN 28 N 1.81 0.35 0.42 6.67 6.03 0.68 -4.98 114.94 125.92 3hmg s ASN 28 Ca 0.04 -1.16 0.21 0.00 -1.03 0.00 0.00 52.86 50.93 3hmg s ASN 28 Cb -0.12 0.28 1.17 0.00 -3.03 0.00 0.00 41.25 39.54 3hmg s ASN 28 CO -0.06 -0.70 1.61 0.77 -2.03 0.00 0.00 177.10 176.69 3hmg h SER 29 N 2.93 0.00 0.36 3.54 4.64 -1.98 0.44 113.55 123.48 3hmg h SER 29 Ca -0.35 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.65 3hmg h SER 29 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3hmg h SER 29 CO 0.61 0.00 -1.50 -0.33 -0.87 0.00 0.00 176.83 174.73 3hmg h GLU 30 N 0.00 0.40 0.00 4.77 5.08 -1.97 -3.51 114.58 119.36 3hmg h GLU 30 Ca 0.00 -0.68 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 3hmg h GLU 30 Cb 0.41 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3hmg h GLU 30 CO 0.00 1.31 0.00 0.41 -1.00 0.00 0.00 179.01 179.73 3hmg n GLY 31 N 1.70 -1.14 3.88 -3.84 0.00 0.15 -5.14 105.19 100.82 3hmg n GLY 31 Ca -0.17 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 3hmg n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hmg s THR 32 N -3.00 2.96 0.00 2.61 -4.23 -1.26 -0.23 115.64 112.50 3hmg s THR 32 Ca 0.00 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3hmg s THR 32 Cb 0.00 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3hmg s THR 32 CO 0.00 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3hmg n GLY 33 N -1.53 0.91 3.02 3.99 0.00 -0.84 -4.97 105.19 105.77 3hmg n GLY 33 Ca 0.02 -0.86 -0.09 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 0.43 -0.26 1.61 0.74 -1.26 -1.39 119.66 117.52 3hmg s GLN 34 Ca 0.00 -0.82 -0.18 0.00 0.05 0.00 0.00 55.36 54.41 3hmg s GLN 34 Cb 0.00 0.10 0.07 0.00 1.10 0.00 0.00 33.01 34.28 3hmg s GLN 34 CO 0.00 -0.06 0.66 0.00 -0.55 0.00 0.00 175.29 175.34 3hmg s ALA 35 N -2.22 -1.73 0.42 1.58 0.00 0.49 -4.98 121.76 115.33 3hmg s ALA 35 Ca -0.08 2.15 -0.23 0.00 0.00 0.00 0.00 51.96 53.80 3hmg s ALA 35 Cb -0.04 -1.26 -0.09 0.00 0.00 0.00 0.00 23.12 21.73 3hmg s ALA 35 CO -0.04 -0.35 1.07 0.00 0.00 0.00 0.00 175.76 176.45 3hmg s ALA 36 N 1.13 3.03 -0.23 0.00 0.00 -1.26 -0.79 121.76 123.63 3hmg s ALA 36 Ca -0.06 0.74 -0.20 0.00 0.00 0.00 0.00 51.96 52.44 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 -0.11 -0.33 0.60 0.34 0.00 0.00 0.00 175.76 176.26 3hmg s ASP 37 N -1.57 6.59 0.05 0.00 2.15 0.78 -4.86 116.67 119.81 3hmg s ASP 37 Ca 0.60 0.72 0.13 0.00 0.43 0.00 0.00 52.55 54.44 3hmg s ASP 37 Cb -0.23 -2.33 -0.17 0.00 -0.30 0.00 0.00 42.92 39.90 3hmg s ASP 37 CO 0.28 -0.31 0.90 -0.07 -0.17 0.00 0.00 175.17 175.80 3hmg h LEU 38 N 8.58 0.00 -0.36 -1.34 -0.00 -1.93 -3.03 115.31 117.23 3hmg h LEU 38 Ca -0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.48 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 0.82 -0.18 0.11 -0.00 0.00 0.00 178.44 179.95 3hmg h LYS 39 N 0.00 0.76 -0.03 1.13 1.57 -1.97 0.98 116.57 119.00 3hmg h LYS 39 Ca -0.17 -0.33 -0.20 0.00 -1.87 0.00 0.00 60.65 58.07 3hmg h LYS 39 Cb 1.78 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.06 3hmg h LYS 39 CO 0.08 0.95 -0.84 0.66 -0.57 0.00 0.00 179.45 179.73 3hmg h SER 40 N 0.55 0.49 -0.65 0.86 4.64 -1.96 -0.86 113.55 116.62 3hmg h SER 40 Ca 0.08 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hmg h SER 40 Cb 0.72 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3hmg h SER 40 CO 0.05 1.13 0.42 0.74 -0.87 0.00 0.00 176.83 178.30 3hmg h THR 41 N 0.24 1.17 -0.46 2.95 2.02 -1.37 -1.55 112.91 115.91 3hmg h THR 41 Ca -0.05 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.68 3hmg h THR 41 Cb 1.45 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3hmg h THR 41 CO 0.14 0.17 -0.14 -0.61 0.37 0.00 0.00 175.52 175.45 3hmg h GLN 42 N 0.88 0.86 -0.62 6.66 5.75 -0.64 -0.79 115.11 127.21 3hmg h GLN 42 Ca 0.24 -0.31 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3hmg h GLN 42 Cb -0.08 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 3hmg h GLN 42 CO -0.05 0.95 0.38 0.00 -2.65 0.00 0.00 178.83 177.45 3hmg h ALA 43 N 1.07 0.81 -0.35 3.38 0.00 -0.71 0.15 119.26 123.61 3hmg h ALA 43 Ca 0.12 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3hmg h ALA 43 Cb 0.66 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hmg h ALA 43 CO 0.05 0.11 -0.38 0.00 0.00 0.00 0.00 179.25 179.03 3hmg h ALA 44 N 1.28 0.52 -0.35 0.00 0.00 -0.94 -2.87 119.26 116.90 3hmg h ALA 44 Ca 0.25 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3hmg h ALA 44 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3hmg h ALA 44 CO -0.11 0.61 -0.04 0.82 0.00 0.00 0.00 179.25 180.53 3hmg h ILE 45 N 0.67 1.27 -0.69 0.00 2.04 -0.56 -2.02 117.51 118.22 3hmg h ILE 45 Ca 0.05 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3hmg h ILE 45 Cb 0.97 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3hmg h ILE 45 CO 0.09 0.35 0.45 0.44 0.00 0.00 0.00 178.15 179.48 3hmg h ASP 46 N 0.43 0.77 -0.50 1.72 3.32 -0.75 0.25 116.42 121.66 3hmg h ASP 46 Ca 0.09 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3hmg h ASP 46 Cb 0.52 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3hmg h ASP 46 CO 0.03 0.55 -0.11 1.56 -1.72 0.00 0.00 179.24 179.54 3hmg h GLN 47 N 0.91 0.98 -0.40 3.56 4.20 -1.39 0.13 115.11 123.11 3hmg h GLN 47 Ca 0.26 -0.36 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3hmg h GLN 47 Cb -0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3hmg h GLN 47 CO -0.07 1.03 -0.16 0.82 -0.67 0.00 0.00 178.83 179.78 3hmg h ILE 48 N 0.88 1.26 -0.18 2.54 2.04 -0.83 -1.91 117.51 121.31 3hmg h ILE 48 Ca 0.14 -1.23 -0.15 0.00 1.00 0.00 0.00 64.86 64.62 3hmg h ILE 48 Cb 0.66 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3hmg h ILE 48 CO 0.05 0.41 -0.52 0.78 0.00 0.00 0.00 178.15 178.86 3hmg h ASN 49 N 0.66 0.56 -0.23 1.72 -0.26 -0.63 -1.11 115.58 116.29 3hmg h ASN 49 Ca 0.10 -0.29 0.06 0.00 -0.56 0.00 0.00 56.30 55.61 3hmg h ASN 49 Cb 0.64 -0.16 -0.07 0.00 -1.06 0.00 0.00 38.32 37.67 3hmg h ASN 49 CO 0.04 0.98 -0.22 1.23 -1.06 0.00 0.00 177.43 178.41 3hmg h GLY 50 N 1.11 -0.12 1.60 2.83 0.00 -0.30 0.51 103.07 108.70 3hmg h GLY 50 Ca 0.01 0.27 -0.16 0.00 0.00 0.00 0.00 47.33 47.46 3hmg h GLY 50 CO 0.10 -0.19 -0.59 0.07 0.00 0.00 0.00 176.54 175.93 3hmg h LYS 51 N -0.23 0.42 -0.46 4.80 2.10 -1.19 -2.82 116.57 119.19 3hmg h LYS 51 Ca 0.13 -0.28 -0.01 0.00 -2.00 0.00 0.00 60.65 58.49 3hmg h LYS 51 Cb 0.43 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.78 3hmg h LYS 51 CO -0.37 0.88 0.24 1.25 -2.00 0.00 0.00 179.45 179.45 3hmg h LEU 52 N 0.31 0.56 -0.19 7.07 5.85 -0.25 -2.20 115.31 126.46 3hmg h LEU 52 Ca -0.00 -0.04 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 3hmg h LEU 52 Cb 1.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hmg h LEU 52 CO 0.10 0.47 -0.93 0.78 -0.34 0.00 0.00 178.44 178.52 3hmg h ASN 53 N 0.63 0.49 0.13 1.25 2.35 -0.70 -1.41 115.58 118.32 3hmg h ASN 53 Ca 0.16 -0.39 -0.08 0.00 -0.55 0.00 0.00 56.30 55.44 3hmg h ASN 53 Cb 0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3hmg h ASN 53 CO -0.02 1.19 -0.28 -0.09 -1.65 0.00 0.00 177.43 176.57 3hmg h ARG 54 N 0.21 0.24 -0.03 0.81 9.65 -1.18 -1.63 114.38 122.45 3hmg h ARG 54 Ca -0.07 -0.09 -0.25 0.00 -1.10 0.00 0.00 59.98 58.47 3hmg h ARG 54 Cb 1.56 -0.02 0.02 0.00 -1.39 0.00 0.00 29.97 30.14 3hmg h ARG 54 CO 0.16 0.51 -0.97 0.28 2.80 0.00 0.00 179.97 182.74 3hmg h VAL 55 N 0.22 1.28 0.00 0.20 2.07 -1.20 -3.11 116.25 115.71 3hmg h VAL 55 Ca 0.03 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.37 3hmg h VAL 55 Cb 0.62 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3hmg h VAL 55 CO 0.04 0.68 0.00 -0.38 0.02 0.00 0.00 177.57 177.93 3hmg n ILE 56 N -3.89 0.00 -0.80 4.57 -0.00 -0.55 -4.88 119.36 113.82 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 0.85 -0.26 0.23 0.00 -0.00 0.00 0.00 39.64 40.46 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 -0.74 -0.28 0.38 2.02 -0.65 -4.81 118.70 112.61 3hmg s GLU 57 Ca 0.19 0.55 -0.26 0.00 0.02 0.00 0.00 54.97 55.48 3hmg s GLU 57 Cb 0.09 -1.60 -0.11 0.00 0.10 0.00 0.00 34.13 32.61 3hmg s GLU 57 CO 0.15 -3.53 1.01 1.17 0.02 0.00 0.00 175.26 174.08 3hmg n LYS 58 N -4.74 0.00 -2.44 1.61 3.00 -1.26 -4.94 118.16 109.39 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 -0.84 -0.04 0.00 0.00 0.00 0.00 35.03 34.71 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 2.32 3.42 0.12 3.15 -4.23 -1.26 -5.03 115.64 114.13 3hmg s THR 59 Ca 0.62 1.42 -0.17 0.00 -1.18 0.00 0.00 61.69 62.38 3hmg s THR 59 Cb -0.84 -3.90 -0.07 0.00 1.34 0.00 0.00 72.50 69.02 3hmg s THR 59 CO 0.43 0.33 0.58 0.54 -0.54 0.00 0.00 174.62 175.96 3hmg s ASN 60 N -0.79 6.96 -0.08 3.99 4.22 -1.26 -5.07 114.94 122.92 3hmg s ASN 60 Ca 0.45 1.20 0.00 0.00 -2.14 0.00 0.00 52.86 52.38 3hmg s ASN 60 Cb -0.33 -2.34 -0.03 0.00 1.28 0.00 0.00 41.25 39.84 3hmg s ASN 60 CO 0.42 0.17 -0.06 -1.83 -2.04 0.00 0.00 177.10 173.76 3hmg s GLU 61 N -1.59 2.83 0.06 3.55 -1.05 -1.26 -5.10 118.70 116.15 3hmg s GLU 61 Ca 0.35 -0.53 0.05 0.00 -0.15 0.00 0.00 54.97 54.69 3hmg s GLU 61 Cb -0.17 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 30.86 3hmg s GLU 61 CO 0.19 0.64 -0.15 0.15 0.95 0.00 0.00 175.26 177.05 3hmg s LYS 62 N -0.75 0.88 0.00 -4.83 -0.14 -1.26 -5.12 119.74 108.51 3hmg s LYS 62 Ca 0.11 -0.92 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 3hmg s LYS 62 Cb -0.11 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 35.13 3hmg s LYS 62 CO 0.02 0.21 0.00 1.19 -0.76 0.00 0.00 175.35 176.00 3hmg n PHE 63 N 1.43 0.00 -2.29 3.18 3.72 -1.26 -5.02 117.46 117.22 3hmg n PHE 63 Ca -0.20 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.77 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 1.66 2.62 0.00 1.38 2.46 -1.26 -4.96 115.29 117.18 3hmg s HIS 64 Ca 0.00 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.30 3hmg s HIS 64 Cb 0.00 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 3hmg s HIS 64 CO 0.00 -2.35 0.00 1.04 -2.47 0.00 0.00 174.74 170.96 3hmg n GLN 65 N 6.59 0.31 -4.14 2.88 6.02 -1.26 -5.16 117.38 122.62 3hmg n GLN 65 Ca 0.15 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.90 3hmg n GLN 65 Cb 0.44 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.63 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 4.00 2.72 0.20 5.09 -4.36 -1.26 -5.11 121.20 122.48 3hmg s ILE 66 Ca 0.00 -1.74 -0.30 0.00 -0.26 0.00 0.00 60.65 58.35 3hmg s ILE 66 Cb 0.00 -2.95 -0.08 0.00 1.25 0.00 0.00 42.46 40.68 3hmg s ILE 66 CO 0.00 -0.13 0.93 -1.61 0.24 0.00 0.00 174.94 174.38 3hmg s GLU 67 N -3.85 4.79 0.00 0.37 0.41 -1.26 -4.95 118.70 114.22 3hmg s GLU 67 Ca 0.38 1.45 0.08 0.00 -0.41 0.00 0.00 54.97 56.48 3hmg s GLU 67 Cb -0.00 -3.31 0.13 0.00 -1.78 0.00 0.00 34.13 29.17 3hmg s GLU 67 CO 0.22 0.43 0.92 1.63 -0.49 0.00 0.00 175.26 177.98 3hmg n LYS 68 N 1.88 1.22 -3.89 1.61 4.76 -1.26 -4.87 118.16 117.61 3hmg n LYS 68 Ca -0.01 -1.34 -0.12 0.00 -2.87 0.00 0.00 58.31 53.97 3hmg n LYS 68 Cb 0.48 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 32.36 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 -0.80 0.05 0.05 1.97 2.02 -1.26 -5.06 118.70 115.67 3hmg s GLU 69 Ca 0.12 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.05 3hmg s GLU 69 Cb 0.07 0.02 -0.02 0.00 0.10 0.00 0.00 34.13 34.30 3hmg s GLU 69 CO 0.11 -0.01 -0.12 -0.06 0.02 0.00 0.00 175.26 175.20 3hmg s PHE 70 N -0.24 1.04 -0.88 1.61 0.08 -1.26 -5.05 117.98 113.28 3hmg s PHE 70 Ca -0.03 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.72 3hmg s PHE 70 Cb -0.02 -0.61 -0.01 0.00 -0.57 0.00 0.00 43.02 41.81 3hmg s PHE 70 CO -0.00 0.01 0.61 -1.13 -0.10 0.00 0.00 175.22 174.61 3hmg n SER 71 N 1.67 1.15 -4.30 1.36 3.41 -1.26 -5.01 113.62 110.64 3hmg n SER 71 Ca -0.20 -1.07 -0.16 0.00 -0.26 0.00 0.00 58.87 57.18 3hmg n SER 71 Cb 0.55 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.91 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 -1.40 1.34 -0.22 4.33 -6.30 -1.26 -5.12 118.70 110.06 3hmg s GLU 72 Ca 0.08 -1.71 -0.12 0.00 -2.50 0.00 0.00 54.97 50.72 3hmg s GLU 72 Cb 0.08 -0.26 -0.05 0.00 0.00 0.00 0.00 34.13 33.90 3hmg s GLU 72 CO 0.26 -0.25 0.23 0.08 0.02 0.00 0.00 175.26 175.60 3hmg s VAL 73 N -3.73 5.32 0.00 3.70 1.01 -1.26 -4.94 120.40 120.49 3hmg s VAL 73 Ca 0.34 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3hmg s VAL 73 Cb 0.07 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.88 3hmg s VAL 73 CO 0.11 0.33 0.00 -0.62 0.00 0.00 0.00 175.10 174.92 3hmg n GLU 74 N 4.23 1.93 0.00 2.72 1.02 -1.26 -5.12 120.64 124.15 3hmg n GLU 74 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 3hmg n GLU 74 Cb 0.52 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 2.52 0.82 0.25 0.62 0.00 -1.26 -4.76 105.19 103.39 3hmg n GLY 75 Ca 0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.45 -0.02 1.61 2.43 -2.00 -0.53 114.38 115.43 3hmg h ARG 76 Ca 0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hmg h ARG 76 Cb 0.00 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3hmg h ARG 76 CO 0.00 -0.30 -0.43 0.97 -1.51 0.00 0.00 179.97 178.70 3hmg h ILE 77 N -0.47 1.31 -0.01 1.20 6.09 -2.00 -2.62 117.51 121.02 3hmg h ILE 77 Ca -0.00 -1.50 -0.21 0.00 -1.37 0.00 0.00 64.86 61.77 3hmg h ILE 77 Cb 0.43 1.79 -0.00 0.00 0.47 0.00 0.00 36.82 39.51 3hmg h ILE 77 CO -0.05 0.43 -0.90 -0.61 -3.07 0.00 0.00 178.15 173.96 3hmg h GLN 78 N 0.03 0.35 -1.01 2.19 4.15 -1.66 -1.71 115.11 117.46 3hmg h GLN 78 Ca -0.00 -0.37 0.09 0.00 0.77 0.00 0.00 58.65 59.14 3hmg h GLN 78 Cb 0.78 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.50 3hmg h GLN 78 CO 0.06 1.05 0.64 -0.44 -1.93 0.00 0.00 178.83 178.21 3hmg h ASP 79 N 0.20 0.99 -0.08 -0.69 3.32 -0.83 -0.54 116.42 118.80 3hmg h ASP 79 Ca -0.06 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3hmg h ASP 79 Cb 1.52 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.89 3hmg h ASP 79 CO 0.15 0.59 -0.11 0.25 -1.72 0.00 0.00 179.24 178.39 3hmg h LEU 80 N 1.10 0.23 -0.71 1.55 5.85 -1.13 -1.30 115.31 120.91 3hmg h LEU 80 Ca 0.46 -0.53 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3hmg h LEU 80 Cb 0.31 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 3hmg h LEU 80 CO -0.21 0.72 0.33 -0.33 -0.34 0.00 0.00 178.44 178.61 3hmg h GLU 81 N -0.24 0.54 -0.28 1.25 5.08 -0.98 0.55 114.58 120.50 3hmg h GLU 81 Ca 0.01 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hmg h GLU 81 Cb 0.67 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3hmg h GLU 81 CO 0.03 0.36 0.09 0.87 -1.00 0.00 0.00 179.01 179.35 3hmg h LYS 82 N 0.56 0.43 -0.81 2.33 1.57 -1.03 -2.89 116.57 116.74 3hmg h LYS 82 Ca 0.35 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3hmg h LYS 82 Cb 0.41 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3hmg h LYS 82 CO -0.29 0.49 0.45 -0.92 -0.57 0.00 0.00 179.45 178.61 3hmg h TYR 83 N 0.29 1.10 -0.49 -1.35 5.03 -0.13 -0.55 116.97 120.88 3hmg h TYR 83 Ca 0.09 -0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 3hmg h TYR 83 Cb 0.24 -0.35 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 3hmg h TYR 83 CO 0.00 0.76 0.21 0.28 -1.32 0.00 0.00 178.16 178.10 3hmg h VAL 84 N 1.13 1.20 0.03 1.81 2.07 -0.89 0.06 116.25 121.67 3hmg h VAL 84 Ca 0.29 -0.62 -0.23 0.00 0.82 0.00 0.00 66.70 66.96 3hmg h VAL 84 Cb 0.02 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3hmg h VAL 84 CO -0.05 0.23 -1.01 -0.08 0.02 0.00 0.00 177.57 176.69 3hmg h GLU 85 N 0.65 0.35 -0.25 1.57 4.57 -1.22 -1.26 114.58 118.98 3hmg h GLU 85 Ca 0.16 -0.42 -0.12 0.00 -1.18 0.00 0.00 59.36 57.80 3hmg h GLU 85 Cb 0.17 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 3hmg h GLU 85 CO -0.02 1.11 -0.36 0.22 -1.18 0.00 0.00 179.01 178.79 3hmg h ASP 86 N 0.17 0.57 0.94 1.04 3.58 -1.02 -1.08 116.42 120.63 3hmg h ASP 86 Ca -0.09 -0.24 -0.13 0.00 0.42 0.00 0.00 57.03 56.99 3hmg h ASP 86 Cb 1.67 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 42.54 3hmg h ASP 86 CO 0.17 0.88 -0.62 0.71 -2.88 0.00 0.00 179.24 177.50 3hmg h THR 87 N 0.46 1.24 -0.41 2.25 1.35 -0.82 -1.99 112.91 114.99 3hmg h THR 87 Ca 0.05 -2.29 -0.01 0.00 -0.55 0.00 0.00 66.41 63.61 3hmg h THR 87 Cb 0.84 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.55 3hmg h THR 87 CO 0.07 0.61 0.20 0.50 -0.25 0.00 0.00 175.52 176.65 3hmg h LYS 88 N 0.00 0.59 -0.30 4.72 3.64 -0.66 -2.47 116.57 122.10 3hmg h LYS 88 Ca -0.01 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3hmg h LYS 88 Cb 1.26 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3hmg h LYS 88 CO 0.08 0.51 0.01 0.82 -2.27 0.00 0.00 179.45 178.60 3hmg h ILE 89 N 0.53 1.25 -0.07 2.00 2.04 -0.91 -0.69 117.51 121.67 3hmg h ILE 89 Ca 0.14 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3hmg h ILE 89 Cb 0.11 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hmg h ILE 89 CO -0.02 0.30 -0.30 0.44 0.00 0.00 0.00 178.15 178.57 3hmg h ASP 90 N 0.33 0.12 -0.29 1.72 3.32 -1.32 0.63 116.42 120.93 3hmg h ASP 90 Ca 0.09 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.92 3hmg h ASP 90 Cb 0.42 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hmg h ASP 90 CO 0.01 0.42 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.38 3hmg h LEU 91 N 0.11 0.96 -0.71 1.55 3.38 -1.08 -0.75 115.31 118.77 3hmg h LEU 91 Ca 0.01 -0.50 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 3hmg h LEU 91 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3hmg h LEU 91 CO 0.04 1.29 -0.61 -0.50 0.09 0.00 0.00 178.44 178.75 3hmg h TRP 92 N 0.68 0.00 -0.34 1.13 4.06 -0.69 -2.13 115.95 118.66 3hmg h TRP 92 Ca 0.02 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.82 3hmg h TRP 92 Cb 1.11 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 3hmg h TRP 92 CO 0.07 0.61 -0.40 0.77 -3.56 0.00 0.00 178.44 175.93 3hmg h SER 93 N 0.00 0.90 -0.06 -3.49 0.02 -0.61 -1.01 113.55 109.30 3hmg h SER 93 Ca -0.01 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3hmg h SER 93 Cb 1.13 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3hmg h SER 93 CO 0.08 1.19 0.03 0.22 -1.14 0.00 0.00 176.83 177.21 3hmg h TYR 94 N 0.69 0.08 -0.63 3.45 5.03 -1.09 -1.47 116.97 123.04 3hmg h TYR 94 Ca 0.05 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.48 3hmg h TYR 94 Cb 0.98 -0.02 -0.09 0.00 1.55 0.00 0.00 36.73 39.14 3hmg h TYR 94 CO 0.06 0.14 0.14 -0.91 -1.32 0.00 0.00 178.16 176.27 3hmg h ASN 95 N -0.01 0.01 -0.27 -2.11 2.35 -1.13 0.15 115.58 114.58 3hmg h ASN 95 Ca 0.02 0.12 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 3hmg h ASN 95 Cb 0.09 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 3hmg h ASN 95 CO -0.00 0.01 -0.30 0.00 -1.65 0.00 0.00 177.43 175.49 3hmg h ALA 96 N 1.50 0.79 -0.59 -0.83 0.00 -0.79 -2.30 119.26 117.05 3hmg h ALA 96 Ca 0.33 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3hmg h ALA 96 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3hmg h ALA 96 CO -0.42 0.65 0.00 1.49 0.00 0.00 0.00 179.25 180.97 3hmg h GLU 97 N 0.66 1.05 -0.11 0.00 4.57 -0.09 -2.11 114.58 118.55 3hmg h GLU 97 Ca 0.08 -0.33 -0.16 0.00 -1.18 0.00 0.00 59.36 57.77 3hmg h GLU 97 Cb 0.83 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 3hmg h GLU 97 CO 0.07 1.03 -0.61 1.25 -1.18 0.00 0.00 179.01 179.57 3hmg h LEU 98 N 0.94 0.42 0.47 1.64 5.85 -0.96 -2.71 115.31 120.96 3hmg h LEU 98 Ca 0.17 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 3hmg h LEU 98 Cb 0.55 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3hmg h LEU 98 CO 0.03 0.93 -0.22 0.25 -0.34 0.00 0.00 178.44 179.09 3hmg h LEU 99 N 0.28 -0.53 -1.04 2.25 5.85 -0.88 -1.13 115.31 120.11 3hmg h LEU 99 Ca -0.01 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3hmg h LEU 99 Cb 1.14 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3hmg h LEU 99 CO 0.10 -0.31 -0.43 -0.37 -0.34 0.00 0.00 178.44 177.10 3hmg h VAL 100 N -0.72 1.12 -0.16 1.05 -1.51 -1.45 -0.18 116.25 114.40 3hmg h VAL 100 Ca -0.06 -1.56 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 3hmg h VAL 100 Cb 0.53 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 3hmg h VAL 100 CO 0.11 0.42 0.06 0.00 -1.23 0.00 0.00 177.57 176.93 3hmg h ALA 101 N 1.57 0.21 0.40 5.19 0.00 -1.19 -0.04 119.26 125.40 3hmg h ALA 101 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3hmg h ALA 101 Cb 0.85 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hmg h ALA 101 CO 0.06 -0.20 -0.19 -0.07 0.00 0.00 0.00 179.25 178.84 3hmg h LEU 102 N 0.10 -0.46 -0.41 0.00 3.38 -0.95 -2.26 115.31 114.72 3hmg h LEU 102 Ca 0.05 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3hmg h LEU 102 Cb 0.17 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 3hmg h LEU 102 CO -0.00 -0.21 -0.14 -0.33 0.09 0.00 0.00 178.44 177.84 3hmg h GLU 103 N -0.68 -0.05 -0.54 1.13 4.39 -0.97 -0.87 114.58 116.99 3hmg h GLU 103 Ca -0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3hmg h GLU 103 Cb 0.49 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3hmg h GLU 103 CO 0.09 -0.03 0.09 -0.91 -1.16 0.00 0.00 179.01 177.09 3hmg h ASN 104 N -0.05 0.80 -0.05 1.42 2.35 -0.97 0.12 115.58 119.20 3hmg h ASN 104 Ca 0.20 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hmg h ASN 104 Cb 0.35 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 3hmg h ASN 104 CO -0.45 0.81 0.02 -0.61 -1.65 0.00 0.00 177.43 175.56 3hmg h GLN 105 N 0.81 0.07 -0.17 0.81 5.75 -0.73 -1.85 115.11 119.80 3hmg h GLN 105 Ca 0.17 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 3hmg h GLN 105 Cb 0.35 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3hmg h GLN 105 CO 0.01 0.16 -0.17 1.25 -2.65 0.00 0.00 178.83 177.43 3hmg h HIS 106 N -0.04 0.29 -0.18 3.99 2.76 0.02 -2.42 115.15 119.57 3hmg h HIS 106 Ca 0.02 -0.04 -0.20 0.00 -2.20 0.00 0.00 60.37 57.94 3hmg h HIS 106 Cb 0.11 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.00 3hmg h HIS 106 CO -0.04 0.44 -0.69 1.15 -1.30 0.00 0.00 177.93 177.49 3hmg h THR 107 N 0.26 1.30 -0.71 6.26 2.02 -0.38 0.20 112.91 121.85 3hmg h THR 107 Ca 0.05 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.26 3hmg h THR 107 Cb 0.45 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3hmg h THR 107 CO 0.03 0.61 0.24 0.40 0.37 0.00 0.00 175.52 177.16 3hmg h ILE 108 N 0.52 1.25 0.00 3.11 2.04 -0.91 -1.89 117.51 121.64 3hmg h ILE 108 Ca -0.03 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 64.83 3hmg h ILE 108 Cb 1.30 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 3hmg h ILE 108 CO 0.14 0.34 -0.73 0.44 0.00 0.00 0.00 178.15 178.33 3hmg h ASP 109 N 1.05 0.00 -0.02 1.72 3.32 -1.30 -1.83 116.42 119.35 3hmg h ASP 109 Ca 0.23 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 3hmg h ASP 109 Cb 0.27 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3hmg h ASP 109 CO -0.01 0.73 0.00 0.25 -1.72 0.00 0.00 179.24 178.50 3hmg h LEU 110 N 0.00 0.03 -1.21 1.55 6.46 -0.64 0.34 115.31 121.85 3hmg h LEU 110 Ca -0.01 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.43 3hmg h LEU 110 Cb 1.39 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.30 3hmg h LEU 110 CO 0.10 0.26 -0.39 0.71 -0.62 0.00 0.00 178.44 178.50 3hmg h THR 111 N -0.20 1.24 -0.56 1.05 1.35 -1.37 -0.91 112.91 113.51 3hmg h THR 111 Ca 0.01 -1.36 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 3hmg h THR 111 Cb 0.24 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 3hmg h THR 111 CO 0.00 0.38 0.26 -0.78 -0.25 0.00 0.00 175.52 175.14 3hmg h ASP 112 N 0.00 0.73 -0.33 5.36 1.82 -1.09 -2.18 116.42 120.74 3hmg h ASP 112 Ca -0.00 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.50 3hmg h ASP 112 Cb 0.71 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 3hmg h ASP 112 CO 0.05 0.66 0.20 -1.28 -1.61 0.00 0.00 179.24 177.26 3hmg h SER 113 N 0.75 0.40 -0.51 2.28 0.87 -0.19 -1.47 113.55 115.68 3hmg h SER 113 Ca 0.19 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.64 3hmg h SER 113 Cb 0.12 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3hmg h SER 113 CO -0.02 0.33 0.12 -0.33 -0.53 0.00 0.00 176.83 176.40 3hmg h GLU 114 N 0.43 0.87 -0.15 2.24 4.39 -1.01 0.17 114.58 121.52 3hmg h GLU 114 Ca 0.12 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3hmg h GLU 114 Cb 0.01 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3hmg h GLU 114 CO -0.02 0.79 0.10 1.98 -1.16 0.00 0.00 179.01 180.69 3hmg h MET 115 N 0.83 0.20 -0.71 2.33 4.05 -1.02 -1.75 114.93 118.87 3hmg h MET 115 Ca 0.18 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 3hmg h MET 115 Cb 0.32 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.04 3hmg h MET 115 CO 0.00 0.15 0.40 -0.97 0.23 0.00 0.00 176.91 176.72 3hmg h ASN 116 N 0.19 0.88 -0.63 1.39 -1.24 -0.50 -1.98 115.58 113.69 3hmg h ASN 116 Ca 0.05 -0.09 -0.05 0.00 0.71 0.00 0.00 56.30 56.92 3hmg h ASN 116 Cb -0.00 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 3hmg h ASN 116 CO -0.01 0.71 0.19 0.11 -1.29 0.00 0.00 177.43 177.14 3hmg h LYS 117 N 0.97 1.01 -0.48 6.67 1.57 -0.35 -0.11 116.57 125.85 3hmg h LYS 117 Ca 0.25 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hmg h LYS 117 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3hmg h LYS 117 CO -0.04 0.87 0.26 1.25 -0.57 0.00 0.00 179.45 181.22 3hmg h LEU 118 N 0.97 0.59 0.10 2.94 6.46 -1.00 -0.20 115.31 125.17 3hmg h LEU 118 Ca 0.21 -0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3hmg h LEU 118 Cb 0.29 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3hmg h LEU 118 CO -0.01 0.51 -0.05 0.15 -0.62 0.00 0.00 178.44 178.43 3hmg h PHE 119 N 0.63 -0.13 -0.67 1.25 3.57 -0.60 -0.46 116.94 120.53 3hmg h PHE 119 Ca 0.17 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3hmg h PHE 119 Cb 0.05 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3hmg h PHE 119 CO -0.02 -0.02 0.32 0.93 -2.23 0.00 0.00 178.31 177.30 3hmg h GLU 120 N -0.21 0.96 -0.46 1.11 4.39 -0.87 -0.01 114.58 119.50 3hmg h GLU 120 Ca -0.01 -0.13 -0.09 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 0.02 0.74 -0.07 -0.22 -1.16 0.00 0.00 179.01 178.32 3hmg h LYS 121 N 0.95 0.85 -0.58 2.33 3.64 -0.74 -0.96 116.57 122.06 3hmg h LYS 121 Ca 0.23 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 3hmg h LYS 121 Cb 0.10 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3hmg h LYS 121 CO -0.03 0.94 0.02 1.15 -2.27 0.00 0.00 179.45 179.25 3hmg h THR 122 N 0.69 1.26 -0.21 1.00 2.02 -0.45 -2.83 112.91 114.39 3hmg h THR 122 Ca 0.12 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.22 3hmg h THR 122 Cb 0.60 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3hmg h THR 122 CO 0.04 0.40 0.04 -0.09 0.37 0.00 0.00 175.52 176.28 3hmg h ARG 123 N 0.90 0.12 -0.35 6.66 2.43 -0.60 -2.39 114.38 121.14 3hmg h ARG 123 Ca 0.17 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3hmg h ARG 123 Cb 0.53 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3hmg h ARG 123 CO 0.03 0.08 0.18 0.00 -1.51 0.00 0.00 179.97 178.75 3hmg h ARG 124 N 0.13 0.48 -0.42 0.20 3.08 -0.99 -2.01 114.38 114.85 3hmg h ARG 124 Ca 0.10 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.96 3hmg h ARG 124 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3hmg h ARG 124 CO -0.13 0.36 -0.30 0.37 -1.07 0.00 0.00 179.97 179.21 3hmg h GLN 125 N 0.49 0.94 0.00 0.04 4.15 -1.21 -3.00 115.11 116.52 3hmg h GLN 125 Ca 0.13 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.09 3hmg h GLN 125 Cb 0.03 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3hmg h GLN 125 CO -0.02 1.12 0.00 1.28 -1.93 0.00 0.00 178.83 179.28 3hmg n LEU 126 N -4.11 0.00 0.00 -2.39 4.77 -0.76 -4.62 117.00 109.89 3hmg n LEU 126 Ca -0.01 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3hmg n LEU 126 Cb 0.50 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3hmg n LEU 126 CO 0.47 -0.10 0.00 0.54 -1.33 0.00 0.00 177.39 176.98 3hmg n ARG 127 N -1.29 0.00 -0.55 3.23 5.12 -1.14 -1.21 116.66 120.81 3hmg n ARG 127 Ca 0.09 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.07 3hmg n ARG 127 Cb 0.16 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 31.73 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 12.75 3.42 0.00 5.56 -0.58 -1.26 -4.18 120.64 136.34 3hmg n GLU 128 Ca 0.00 -2.14 0.10 0.00 -0.42 0.00 0.00 57.16 54.70 3hmg n GLU 128 Cb 0.00 -1.91 -0.03 0.00 -0.57 0.00 0.00 31.44 28.93 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 0.57 1.63 -4.07 1.62 3.02 -0.35 -4.56 115.26 113.12 3hmg n ASN 129 Ca 0.19 -1.32 -0.08 0.00 -0.03 0.00 0.00 54.58 53.34 3hmg n ASN 129 Cb 0.82 0.62 -0.10 0.00 -0.61 0.00 0.00 39.78 40.50 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 -2.45 0.48 0.08 5.41 0.00 -1.25 -0.75 121.76 123.28 3hmg s ALA 130 Ca 0.14 -1.07 0.09 0.00 0.00 0.00 0.00 51.96 51.12 3hmg s ALA 130 Cb 0.16 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 3hmg s ALA 130 CO 0.60 -0.29 -0.23 -1.21 0.00 0.00 0.00 175.76 174.63 3hmg s GLU 131 N -3.24 1.38 -0.34 0.00 2.02 -0.37 -4.93 118.70 113.21 3hmg s GLU 131 Ca 0.02 -1.12 -0.28 0.00 0.02 0.00 0.00 54.97 53.60 3hmg s GLU 131 Cb 0.03 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.65 3hmg s GLU 131 CO -0.07 0.40 1.06 -2.00 0.02 0.00 0.00 175.26 174.67 3hmg s GLU 132 N -1.59 4.00 0.00 1.61 2.12 -1.26 -0.46 118.70 123.11 3hmg s GLU 132 Ca 0.09 0.94 0.24 0.00 0.36 0.00 0.00 54.97 56.60 3hmg s GLU 132 Cb -0.10 -3.76 1.41 0.00 0.26 0.00 0.00 34.13 31.94 3hmg s GLU 132 CO 0.03 -0.96 1.79 -1.33 -0.54 0.00 0.00 175.26 174.26 3hmg n MET 133 N 6.96 0.71 -1.08 4.30 2.81 0.11 -4.87 117.12 126.07 3hmg n MET 133 Ca 0.11 0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.98 3hmg n MET 133 Cb 0.47 -1.50 -0.01 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 0.51 0.60 1.29 3.03 0.00 -1.26 -4.86 105.19 104.50 3hmg n GLY 134 Ca 0.17 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 1.16 1.01 0.00 1.61 6.94 -1.26 -4.92 115.26 119.80 3hmg n ASN 135 Ca -0.03 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.30 3hmg n ASN 135 Cb 0.11 -0.32 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 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 0.25 1.41 3.54 4.83 0.00 -1.24 -4.64 105.19 109.33 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 0.38 3.70 -0.32 0.00 0.40 -1.26 -0.71 117.98 120.16 3hmg s PHE 138 Ca -0.02 1.01 -0.19 0.00 -0.60 0.00 0.00 56.93 57.14 3hmg s PHE 138 Cb -0.14 -2.37 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 3hmg s PHE 138 CO 0.02 0.54 0.55 0.21 0.70 0.00 0.00 175.22 177.24 3hmg s LYS 139 N -0.73 3.78 -0.17 0.44 2.20 0.39 -4.92 119.74 120.74 3hmg s LYS 139 Ca 0.25 0.06 -0.21 0.00 -0.36 0.00 0.00 55.97 55.70 3hmg s LYS 139 Cb -0.17 -3.76 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3hmg s LYS 139 CO 0.14 -0.57 0.64 0.42 -0.36 0.00 0.00 175.35 175.62 3hmg s ILE 140 N 2.46 5.03 -0.32 5.43 1.01 -1.26 -1.23 121.20 132.31 3hmg s ILE 140 Ca 0.21 1.25 -0.00 0.00 0.00 0.00 0.00 60.65 62.10 3hmg s ILE 140 Cb -0.15 -3.97 0.26 0.00 0.01 0.00 0.00 42.46 38.61 3hmg s ILE 140 CO 0.12 0.15 1.89 -1.22 0.00 0.00 0.00 174.94 175.88 3hmg n TYR 141 N 4.73 1.65 -3.50 3.97 4.02 0.07 -4.88 117.16 123.22 3hmg n TYR 141 Ca -0.01 -1.84 -0.13 0.00 -0.01 0.00 0.00 57.90 55.90 3hmg n TYR 141 Cb 0.50 -0.90 -0.04 0.00 -0.02 0.00 0.00 39.34 38.88 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 -1.90 -0.49 -0.04 -0.72 -3.43 -1.26 -3.60 115.29 103.84 3hmg s HIS 142 Ca 0.32 0.45 -0.30 0.00 -0.80 0.00 0.00 55.06 54.74 3hmg s HIS 142 Cb 0.26 0.44 -0.07 0.00 -1.43 0.00 0.00 32.58 31.78 3hmg s HIS 142 CO 0.01 -0.74 1.87 0.21 -2.00 0.00 0.00 174.74 174.09 3hmg s LYS 143 N -3.00 4.01 -0.34 -0.38 2.20 -1.26 -4.94 119.74 116.04 3hmg s LYS 143 Ca -0.02 2.34 0.03 0.00 -0.36 0.00 0.00 55.97 57.95 3hmg s LYS 143 Cb -0.00 -4.12 0.10 0.00 -1.51 0.00 0.00 37.83 32.30 3hmg s LYS 143 CO -0.06 -1.08 0.07 0.00 -0.36 0.00 0.00 175.35 173.92 3hmg n ASP 145 N 4.40 -0.43 0.26 0.00 5.68 -1.26 -4.55 116.55 120.65 3hmg n ASP 145 Ca 0.02 -1.16 0.11 0.00 -0.50 0.00 0.00 54.79 53.26 3hmg n ASP 145 Cb 0.42 -0.58 0.70 0.00 -1.14 0.00 0.00 41.12 40.51 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 -1.29 0.00 0.09 -1.12 2.35 -1.99 -0.90 115.58 112.71 3hmg h ASN 146 Ca -0.24 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.28 3hmg h ASN 146 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.07 3hmg h ASN 146 CO 0.17 0.12 -0.86 0.00 -1.65 0.00 0.00 177.43 175.21 3hmg h ALA 147 N 1.88 0.35 -0.20 -0.83 0.00 -1.98 0.24 119.26 118.72 3hmg h ALA 147 Ca -0.00 -0.65 0.04 0.00 0.00 0.00 0.00 54.91 54.30 3hmg h ALA 147 Cb 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3hmg h ALA 147 CO 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 179.25 179.96 3hmg h ILE 149 N 0.01 1.24 0.00 0.00 1.08 -0.99 -0.35 117.51 118.51 3hmg h ILE 149 Ca 0.10 -0.45 -0.07 0.00 -0.39 0.00 0.00 64.86 64.05 3hmg h ILE 149 Cb 0.14 -0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 33.76 3hmg h ILE 149 CO -0.20 0.23 -0.34 -0.33 -0.69 0.00 0.00 178.15 176.83 3hmg h GLU 150 N 1.26 0.00 -0.04 2.37 5.08 0.21 -2.02 114.58 121.45 3hmg h GLU 150 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.51 3hmg h GLU 150 Cb -0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3hmg h GLU 150 CO -0.07 0.34 -0.80 0.66 -1.00 0.00 0.00 179.01 178.14 3hmg h SER 151 N 0.00 0.41 0.03 1.42 4.64 0.11 0.14 113.55 120.30 3hmg h SER 151 Ca -0.00 -0.30 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hmg h SER 151 Cb 0.65 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hmg h SER 151 CO 0.04 1.05 -0.01 0.40 -0.87 0.00 0.00 176.83 177.44 3hmg h ILE 152 N 0.21 1.11 -0.40 0.95 2.04 -1.00 0.40 117.51 120.82 3hmg h ILE 152 Ca -0.04 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 3hmg h ILE 152 Cb 1.39 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3hmg h ILE 152 CO 0.13 0.11 0.07 0.03 0.00 0.00 0.00 178.15 178.49 3hmg h ARG 153 N -0.23 0.66 -0.00 2.37 3.08 -1.29 -1.98 114.38 117.00 3hmg h ARG 153 Ca -0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3hmg h ARG 153 Cb 0.21 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3hmg h ARG 153 CO 0.01 0.71 -0.00 0.27 -1.07 0.00 0.00 179.97 179.88 3hmg n ASN 154 N -4.52 0.31 0.00 7.04 0.23 0.49 -4.91 115.26 113.90 3hmg n ASN 154 Ca -0.01 -1.09 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 3hmg n ASN 154 Cb 0.23 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 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 1.04 0.56 0.61 4.83 0.00 0.36 -4.95 105.19 107.64 3hmg n GLY 155 Ca 0.23 -0.80 0.05 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.75 1.01 -1.67 2.61 -2.24 0.11 -4.99 114.28 106.37 3hmg n THR 156 Ca 0.00 -1.01 -0.47 0.00 -2.27 0.00 0.00 64.05 60.30 3hmg n THR 156 Cb 0.01 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.69 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 0.45 2.27 -3.52 4.78 4.19 -0.95 -4.93 117.16 119.45 3hmg n TYR 157 Ca 0.11 0.20 -0.41 0.00 3.31 0.00 0.00 57.90 61.10 3hmg n TYR 157 Cb 0.42 -2.57 -0.11 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 1.81 5.97 0.34 2.98 3.68 -1.26 -4.95 116.67 125.25 3hmg s ASP 158 Ca 0.83 -0.76 0.12 0.00 2.13 0.00 0.00 52.55 54.87 3hmg s ASP 158 Cb -0.69 -2.11 0.61 0.00 -1.45 0.00 0.00 42.92 39.27 3hmg s ASP 158 CO 0.42 -0.36 1.75 1.12 0.13 0.00 0.00 175.17 178.24 3hmg h HIS 159 N 8.53 0.00 -0.70 -5.34 2.07 -1.93 -2.93 115.15 114.85 3hmg h HIS 159 Ca -0.28 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.21 3hmg h HIS 159 Cb 1.13 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.08 3hmg h HIS 159 CO 0.59 0.45 0.31 -0.44 -3.07 0.00 0.00 177.93 175.78 3hmg h ASP 160 N 0.00 0.91 -0.85 3.10 3.32 -1.96 -1.09 116.42 119.85 3hmg h ASP 160 Ca -0.00 -0.11 0.22 0.00 0.02 0.00 0.00 57.03 57.15 3hmg h ASP 160 Cb 0.81 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 39.99 3hmg h ASP 160 CO 0.06 0.79 0.19 0.58 -1.72 0.00 0.00 179.24 179.13 3hmg h VAL 161 N 0.99 0.33 -0.22 -1.35 2.07 -1.95 -1.32 116.25 114.81 3hmg h VAL 161 Ca 0.24 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3hmg h VAL 161 Cb 0.13 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3hmg h VAL 161 CO -0.03 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.38 3hmg n TYR 162 N -5.24 0.29 0.07 1.57 4.01 -0.78 -4.72 117.16 112.36 3hmg n TYR 162 Ca 0.19 -0.40 -0.11 0.00 -0.16 0.00 0.00 57.90 57.42 3hmg n TYR 162 Cb 0.63 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.58 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 1.62 -0.33 -0.92 -0.72 2.43 -0.01 -0.99 114.38 115.47 3hmg h ARG 163 Ca 0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3hmg h ARG 163 Cb 0.62 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 3hmg h ARG 163 CO 0.00 -0.22 0.60 -0.44 -1.51 0.00 0.00 179.97 178.40 3hmg h ASP 164 N -0.34 1.00 0.80 -3.80 3.32 -1.85 0.12 116.42 115.67 3hmg h ASP 164 Ca 0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3hmg h ASP 164 Cb 0.40 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hmg h ASP 164 CO -0.16 0.69 -0.38 -0.08 -1.72 0.00 0.00 179.24 177.58 3hmg h GLU 165 N 1.16 -1.04 -0.10 3.56 4.81 -1.82 -1.25 114.58 119.91 3hmg h GLU 165 Ca 0.36 0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.69 3hmg h GLU 165 Cb -0.01 0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3hmg h GLU 165 CO -0.12 -0.69 -0.06 0.00 -0.73 0.00 0.00 179.01 177.42 3hmg h ALA 166 N -0.91 0.03 -0.52 2.92 0.00 -0.83 -0.62 119.26 119.33 3hmg h ALA 166 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hmg h ALA 166 Cb 0.83 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3hmg h ALA 166 CO 0.18 -0.52 0.29 1.25 0.00 0.00 0.00 179.25 180.45 3hmg h LEU 167 N -0.06 0.45 -0.15 0.00 5.85 -0.76 0.27 115.31 120.90 3hmg h LEU 167 Ca 0.06 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hmg h LEU 167 Cb 0.15 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3hmg h LEU 167 CO -0.14 0.31 0.06 -1.13 -0.34 0.00 0.00 178.44 177.20 3hmg h ASN 168 N 0.57 0.21 0.29 1.25 -0.73 -0.68 -1.22 115.58 115.28 3hmg h ASN 168 Ca 0.22 -0.17 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3hmg h ASN 168 Cb 0.08 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 3hmg h ASN 168 CO -0.12 0.32 -0.05 -1.13 -0.37 0.00 0.00 177.43 176.08 3hmg h ASN 169 N 0.09 0.00 0.04 1.15 -1.24 -0.65 -3.08 115.58 111.89 3hmg h ASN 169 Ca 0.05 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.80 3hmg h ASN 169 Cb 0.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.20 3hmg h ASN 169 CO -0.00 0.05 -1.39 -0.09 -1.29 0.00 0.00 177.43 174.71 3hmg h ARG 170 N 0.00 0.09 -1.03 6.67 2.43 0.06 -3.38 114.38 119.22 3hmg h ARG 170 Ca -0.00 -0.16 -0.64 0.00 -0.81 0.00 0.00 59.98 58.37 3hmg h ARG 170 Cb 0.21 0.06 -0.28 0.00 -0.42 0.00 0.00 29.97 29.54 3hmg h ARG 170 CO 0.01 1.08 0.83 1.19 -1.51 0.00 0.00 179.97 181.56 3hmg n PHE 171 N -4.16 3.11 -2.25 2.20 3.72 -0.51 -4.93 117.46 114.63 3hmg n PHE 171 Ca -0.30 -2.86 -0.41 0.00 -0.05 0.00 0.00 57.45 53.82 3hmg n PHE 171 Cb 0.78 -1.38 -0.03 0.00 -0.94 0.00 0.00 39.48 37.91 3hmg n PHE 171 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3hmg s GLN 172 N -3.65 4.41 -0.23 -1.08 -0.44 -1.18 -5.02 119.66 112.48 3hmg s GLN 172 Ca 0.62 2.02 -0.01 0.00 -2.50 0.00 0.00 55.36 55.49 3hmg s GLN 172 Cb 0.49 -3.20 0.02 0.00 -1.64 0.00 0.00 33.01 28.68 3hmg s GLN 172 CO 0.00 -0.21 -0.10 0.42 0.50 0.00 0.00 175.29 175.90 3hmg s ILE 173 N 0.02 2.62 -0.30 -2.34 1.01 -1.26 -5.05 121.20 115.91 3hmg s ILE 173 Ca 0.55 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 3hmg s ILE 173 Cb -0.36 -2.29 0.20 0.00 0.01 0.00 0.00 42.46 40.03 3hmg s ILE 173 CO 0.38 0.28 1.25 -0.75 0.00 0.00 0.00 174.94 176.11 3hmg s LYS 174 N 1.30 0.06 0.00 2.79 2.47 -1.26 -5.28 119.74 119.82 3hmg s LYS 174 Ca 0.01 0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.53 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 -0.07 -0.01 0.22 0.41 0.16 0.00 0.00 175.35 176.06