#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 -3.03 115.31 114.74 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 0.07 -1.79 0.49 0.09 0.00 0.00 178.44 177.31 3hmg n PHE 3 N -3.63 0.00 -1.10 1.13 3.01 -1.26 -4.98 117.46 110.63 3hmg n PHE 3 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 3hmg n PHE 3 Cb 0.18 -0.40 -0.00 0.00 -0.01 0.00 0.00 39.48 39.25 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 1.36 0.42 0.00 1.37 0.00 -1.15 -4.96 105.19 102.24 3hmg n GLY 4 Ca -0.03 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.84 0.00 -1.92 4.61 0.00 -1.26 -0.55 120.51 122.23 3hmg n ALA 5 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3hmg n ALA 5 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.99 2.73 -1.12 0.00 1.01 -1.26 -0.58 121.20 120.99 3hmg s ILE 6 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3hmg s ILE 6 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3hmg s ILE 6 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 174.94 175.02 3hmg n ALA 7 N 2.82 -0.73 -2.20 9.38 0.00 -1.24 -4.28 120.51 124.26 3hmg n ALA 7 Ca 0.09 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3hmg n ALA 7 Cb 0.40 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.78 2.85 0.00 0.00 0.00 0.26 -4.89 105.19 102.62 3hmg n GLY 8 Ca -0.15 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.62 1.61 1.16 0.28 -3.71 117.46 113.19 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 -0.40 -0.10 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 -2.79 4.18 0.35 1.97 1.01 -0.85 -3.68 121.20 121.38 3hmg s ILE 10 Ca 0.11 -1.36 0.10 0.00 0.00 0.00 0.00 60.65 59.50 3hmg s ILE 10 Cb 0.10 -3.54 0.33 0.00 0.01 0.00 0.00 42.46 39.37 3hmg s ILE 10 CO 0.25 -0.46 1.80 -0.33 0.00 0.00 0.00 174.94 176.20 3hmg h GLU 11 N 8.38 0.62 0.00 2.79 3.07 -1.83 -3.28 114.58 124.33 3hmg h GLU 11 Ca -0.23 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3hmg h GLU 11 Cb 1.08 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3hmg h GLU 11 CO 0.73 0.41 0.27 0.27 -1.40 0.00 0.00 179.01 179.29 3hmg n ASN 12 N -4.67 -2.02 -5.00 1.42 6.94 -1.26 -4.75 115.26 105.93 3hmg n ASN 12 Ca 0.22 -2.38 -0.18 0.00 -0.02 0.00 0.00 54.58 52.22 3hmg n ASN 12 Cb 0.63 3.36 0.01 0.00 -2.36 0.00 0.00 39.78 41.42 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 -2.89 1.84 -0.26 4.83 0.00 -1.26 -4.96 107.32 104.63 3hmg s GLY 13 Ca 0.15 -1.56 -0.07 0.00 0.00 0.00 0.00 44.72 43.23 3hmg s GLY 13 CO 0.10 -1.40 0.07 -0.98 0.00 0.00 0.00 173.10 170.89 3hmg s TRP 14 N -2.35 3.09 -0.14 1.90 0.51 -1.26 -4.93 118.94 115.76 3hmg s TRP 14 Ca 0.53 -0.59 0.29 0.00 -2.12 0.00 0.00 56.10 54.20 3hmg s TRP 14 Cb -0.10 -2.24 0.96 0.00 -0.81 0.00 0.00 33.47 31.29 3hmg s TRP 14 CO 0.33 -0.43 1.83 0.93 -0.51 0.00 0.00 176.95 179.11 3hmg h GLU 15 N 8.23 0.00 0.00 4.98 5.08 -2.03 -3.11 114.58 127.73 3hmg h GLU 15 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3hmg h GLU 15 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 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 2.83 0.00 -7.31 -3.84 0.00 -2.03 -3.41 103.07 89.31 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 0.96 -0.29 0.00 0.00 0.00 176.54 177.21 3hmg s MET 17 N -3.68 3.21 0.00 4.80 -2.45 -1.18 -4.80 119.30 115.20 3hmg s MET 17 Ca 0.01 -0.50 0.25 0.00 -1.25 0.00 0.00 55.69 54.20 3hmg s MET 17 Cb 0.09 -4.31 0.39 0.00 1.25 0.00 0.00 34.83 32.25 3hmg s MET 17 CO 0.53 -2.06 1.35 0.44 1.05 0.00 0.00 175.02 176.32 3hmg n ILE 18 N 6.29 0.00 -0.69 10.11 -6.64 -1.26 -4.45 119.36 122.72 3hmg n ILE 18 Ca 0.04 -0.30 0.07 0.00 -1.77 0.00 0.00 62.75 60.79 3hmg n ILE 18 Cb 0.48 1.03 0.19 0.00 -1.44 0.00 0.00 39.64 39.90 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 0.30 3.22 0.00 7.28 3.85 -1.26 -5.05 116.55 124.89 3hmg n ASP 19 Ca 0.13 -2.65 0.00 0.00 -0.71 0.00 0.00 54.79 51.55 3hmg n ASP 19 Cb 0.46 -0.39 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 -0.37 1.08 0.09 6.12 0.00 -1.26 -4.77 105.19 106.08 3hmg n GLY 20 Ca 0.16 -0.98 -0.06 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.51 0.84 -4.24 1.61 7.02 -1.26 -4.92 117.44 115.98 3hmg n TRP 21 Ca 0.00 0.30 -0.18 0.00 -1.02 0.00 0.00 57.50 56.60 3hmg n TRP 21 Cb 0.00 -1.12 -0.11 0.00 -2.42 0.00 0.00 31.31 27.66 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 -2.69 1.38 -0.16 -5.99 2.02 -1.26 -5.02 117.35 105.63 3hmg s TYR 22 Ca -0.05 -0.57 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 3hmg s TYR 22 Cb 0.08 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 3hmg s TYR 22 CO 0.82 0.14 0.00 0.41 -1.57 0.00 0.00 175.55 175.35 3hmg n GLY 23 N 0.50 -1.19 3.31 0.71 0.00 -1.26 -0.04 105.19 107.22 3hmg n GLY 23 Ca -0.15 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.46 2.08 -0.04 1.61 0.40 -0.03 -4.87 117.98 114.68 3hmg s PHE 24 Ca 0.00 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 55.98 3hmg s PHE 24 Cb 0.00 -1.21 -0.00 0.00 0.51 0.00 0.00 43.02 42.32 3hmg s PHE 24 CO 0.00 0.16 -0.17 1.03 0.70 0.00 0.00 175.22 176.94 3hmg s ARG 25 N -1.45 1.73 0.06 0.44 0.52 -1.26 -0.57 118.95 118.43 3hmg s ARG 25 Ca 0.10 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.72 3hmg s ARG 25 Cb -0.10 -1.52 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 3hmg s ARG 25 CO 0.03 0.25 -0.05 -3.38 0.02 0.00 0.00 175.30 172.17 3hmg s HIS 26 N 0.02 0.66 -0.05 -0.53 -3.43 0.06 -4.99 115.29 107.03 3hmg s HIS 26 Ca -0.03 -0.87 0.05 0.00 -0.80 0.00 0.00 55.06 53.40 3hmg s HIS 26 Cb -0.11 -0.42 -0.00 0.00 -1.43 0.00 0.00 32.58 30.62 3hmg s HIS 26 CO 0.02 -0.23 -0.19 -1.14 -2.00 0.00 0.00 174.74 171.20 3hmg s GLN 27 N -3.30 2.00 0.34 -0.38 2.00 -1.26 -0.74 119.66 118.32 3hmg s GLN 27 Ca 0.04 -0.67 -0.09 0.00 -2.00 0.00 0.00 55.36 52.64 3hmg s GLN 27 Cb 0.03 -1.71 0.04 0.00 0.80 0.00 0.00 33.01 32.17 3hmg s GLN 27 CO -0.06 0.26 0.62 0.27 -0.50 0.00 0.00 175.29 175.88 3hmg n ASN 28 N 3.16 -1.78 -0.26 6.67 2.04 0.10 -5.00 115.26 120.19 3hmg n ASN 28 Ca -0.18 -2.52 0.15 0.00 -0.44 0.00 0.00 54.58 51.58 3hmg n ASN 28 Cb 0.53 3.05 0.43 0.00 -2.53 0.00 0.00 39.78 41.25 3hmg n ASN 28 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 3hmg h SER 29 N 1.78 0.56 0.51 0.53 4.64 -1.93 -0.32 113.55 119.33 3hmg h SER 29 Ca -0.28 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3hmg h SER 29 Cb 1.10 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3hmg h SER 29 CO 0.36 0.26 -0.17 -0.62 -0.87 0.00 0.00 176.83 175.79 3hmg n GLU 30 N -4.56 0.42 0.00 4.77 1.02 -1.26 -5.03 120.64 116.00 3hmg n GLU 30 Ca 0.18 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3hmg n GLU 30 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3hmg n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hmg n GLY 31 N 1.37 0.83 3.60 0.62 0.00 -0.13 -5.02 105.19 106.46 3hmg n GLY 31 Ca 0.11 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.16 3.52 0.12 2.61 -4.23 -1.26 -0.73 115.64 112.52 3hmg s THR 32 Ca 0.00 -1.21 -0.09 0.00 -1.18 0.00 0.00 61.69 59.21 3hmg s THR 32 Cb 0.00 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.18 3hmg s THR 32 CO 0.00 0.10 0.23 -0.83 -0.54 0.00 0.00 174.62 173.59 3hmg s GLY 33 N -2.26 0.27 0.07 3.99 0.00 0.08 -4.99 107.32 104.48 3hmg s GLY 33 Ca 0.23 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.24 3hmg s GLY 33 CO 0.15 -0.82 -0.10 1.62 0.00 0.00 0.00 173.10 173.95 3hmg s GLN 34 N -3.91 0.71 -0.27 2.90 0.74 -1.26 -0.76 119.66 117.81 3hmg s GLN 34 Ca 0.11 -0.96 -0.18 0.00 0.05 0.00 0.00 55.36 54.37 3hmg s GLN 34 Cb 0.04 -0.49 0.08 0.00 1.10 0.00 0.00 33.01 33.74 3hmg s GLN 34 CO -0.06 0.09 0.69 0.00 -0.55 0.00 0.00 175.29 175.45 3hmg s ALA 35 N -1.81 -1.81 0.41 1.58 0.00 0.27 -4.97 121.76 115.43 3hmg s ALA 35 Ca -0.02 2.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.97 3hmg s ALA 35 Cb -0.07 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.63 3hmg s ALA 35 CO 0.00 -0.36 1.08 0.00 0.00 0.00 0.00 175.76 176.48 3hmg s ALA 36 N 1.25 3.07 -0.25 0.00 0.00 -1.26 -0.85 121.76 123.72 3hmg s ALA 36 Ca -0.07 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.45 3hmg s ALA 36 Cb -0.05 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 3hmg s ALA 36 CO -0.13 -0.32 0.61 0.34 0.00 0.00 0.00 175.76 176.25 3hmg s ASP 37 N -1.50 6.57 0.07 0.00 2.15 0.95 -4.86 116.67 120.04 3hmg s ASP 37 Ca 0.59 0.69 0.13 0.00 0.43 0.00 0.00 52.55 54.39 3hmg s ASP 37 Cb -0.24 -2.33 -0.16 0.00 -0.30 0.00 0.00 42.92 39.89 3hmg s ASP 37 CO 0.30 -0.34 0.95 -0.07 -0.17 0.00 0.00 175.17 175.84 3hmg h LEU 38 N 8.77 0.00 -0.38 -1.34 -0.00 -1.93 -3.02 115.31 117.41 3hmg h LEU 38 Ca -0.28 0.00 -0.12 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 0.82 -0.21 0.11 -0.00 0.00 0.00 178.44 179.92 3hmg h LYS 39 N 0.00 0.82 0.01 1.13 1.57 -1.97 0.89 116.57 119.01 3hmg h LYS 39 Ca -0.15 -0.37 -0.23 0.00 -1.87 0.00 0.00 60.65 58.03 3hmg h LYS 39 Cb 1.76 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.05 3hmg h LYS 39 CO 0.08 1.00 -0.96 0.66 -0.57 0.00 0.00 179.45 179.66 3hmg h SER 40 N 0.62 0.52 -0.67 0.86 4.64 -1.96 -1.37 113.55 116.19 3hmg h SER 40 Ca 0.08 -0.43 0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3hmg h SER 40 Cb 0.77 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.67 3hmg h SER 40 CO 0.06 1.23 0.44 0.74 -0.87 0.00 0.00 176.83 178.43 3hmg h THR 41 N 0.22 1.17 -0.51 2.95 2.02 -1.38 -1.72 112.91 115.67 3hmg h THR 41 Ca -0.08 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 3hmg h THR 41 Cb 1.60 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3hmg h THR 41 CO 0.17 0.17 -0.05 -0.61 0.37 0.00 0.00 175.52 175.57 3hmg h GLN 42 N 0.91 0.90 -0.52 6.66 5.75 -0.71 -0.86 115.11 127.24 3hmg h GLN 42 Ca 0.25 -0.28 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3hmg h GLN 42 Cb -0.10 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 3hmg h GLN 42 CO -0.05 0.92 0.32 0.00 -2.65 0.00 0.00 178.83 177.37 3hmg h ALA 43 N 1.12 0.67 -0.33 3.38 0.00 -0.82 0.13 119.26 123.41 3hmg h ALA 43 Ca 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 3hmg h ALA 43 Cb 0.56 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hmg h ALA 43 CO 0.03 0.03 -0.37 0.00 0.00 0.00 0.00 179.25 178.94 3hmg h ALA 44 N 1.23 0.50 -0.38 0.00 0.00 -1.06 -2.90 119.26 116.65 3hmg h ALA 44 Ca 0.21 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3hmg h ALA 44 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hmg h ALA 44 CO -0.09 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.56 3hmg h ILE 45 N 0.63 1.26 -0.80 0.00 2.04 -0.62 -2.13 117.51 117.90 3hmg h ILE 45 Ca 0.05 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.91 3hmg h ILE 45 Cb 0.96 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.17 3hmg h ILE 45 CO 0.09 0.34 0.53 0.44 0.00 0.00 0.00 178.15 179.54 3hmg h ASP 46 N 0.49 0.92 -0.45 1.72 3.32 -0.78 -0.20 116.42 121.43 3hmg h ASP 46 Ca 0.11 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3hmg h ASP 46 Cb 0.48 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3hmg h ASP 46 CO 0.02 0.67 -0.23 1.56 -1.72 0.00 0.00 179.24 179.54 3hmg h GLN 47 N 1.08 0.96 -0.51 3.56 4.20 -1.41 0.50 115.11 123.50 3hmg h GLN 47 Ca 0.29 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.50 3hmg h GLN 47 Cb -0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3hmg h GLN 47 CO -0.06 1.09 -0.01 0.82 -0.67 0.00 0.00 178.83 179.99 3hmg h ILE 48 N 0.80 1.25 -0.22 2.54 2.04 -0.87 -1.77 117.51 121.29 3hmg h ILE 48 Ca 0.10 -1.06 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 3hmg h ILE 48 Cb 0.81 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3hmg h ILE 48 CO 0.07 0.38 -0.41 0.78 0.00 0.00 0.00 178.15 178.96 3hmg h ASN 49 N 0.80 0.55 -0.21 1.72 -0.26 -0.83 -0.90 115.58 116.44 3hmg h ASN 49 Ca 0.15 -0.24 0.06 0.00 -0.56 0.00 0.00 56.30 55.70 3hmg h ASN 49 Cb 0.50 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.54 3hmg h ASN 49 CO 0.02 0.90 -0.21 1.23 -1.06 0.00 0.00 177.43 178.31 3hmg h GLY 50 N 1.08 -0.13 1.66 2.83 0.00 -0.31 0.30 103.07 108.50 3hmg h GLY 50 Ca 0.04 0.27 -0.17 0.00 0.00 0.00 0.00 47.33 47.46 3hmg h GLY 50 CO 0.08 -0.19 -0.67 0.07 0.00 0.00 0.00 176.54 175.83 3hmg h LYS 51 N -0.23 0.34 -0.59 4.80 2.10 -1.16 -2.78 116.57 119.04 3hmg h LYS 51 Ca 0.12 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.51 3hmg h LYS 51 Cb 0.42 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 3hmg h LYS 51 CO -0.34 0.89 0.33 1.25 -2.00 0.00 0.00 179.45 179.58 3hmg h LEU 52 N 0.24 0.72 -0.36 7.07 5.85 -0.29 -2.30 115.31 126.24 3hmg h LEU 52 Ca -0.02 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 3hmg h LEU 52 Cb 1.22 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3hmg h LEU 52 CO 0.11 0.57 -0.79 0.78 -0.34 0.00 0.00 178.44 178.77 3hmg h ASN 53 N 0.82 0.41 0.30 1.25 2.35 -0.75 -1.36 115.58 118.60 3hmg h ASN 53 Ca 0.21 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 3hmg h ASN 53 Cb 0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3hmg h ASN 53 CO -0.04 1.05 -0.40 -0.09 -1.65 0.00 0.00 177.43 176.30 3hmg h ARG 54 N 0.22 0.14 0.05 0.81 9.65 -1.17 -1.62 114.38 122.46 3hmg h ARG 54 Ca -0.04 -0.06 -0.28 0.00 -1.10 0.00 0.00 59.98 58.50 3hmg h ARG 54 Cb 1.38 -0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.98 3hmg h ARG 54 CO 0.13 0.53 -1.12 0.28 2.80 0.00 0.00 179.97 182.59 3hmg h VAL 55 N 0.12 1.30 0.00 0.20 2.07 -1.16 -3.10 116.25 115.69 3hmg h VAL 55 Ca 0.01 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.14 3hmg h VAL 55 Cb 0.76 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 3hmg h VAL 55 CO 0.06 0.73 0.00 -0.38 0.02 0.00 0.00 177.57 178.00 3hmg n ILE 56 N -3.80 0.00 -0.77 4.57 -0.00 -0.54 -4.88 119.36 113.94 3hmg n ILE 56 Ca -0.11 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.35 3hmg n ILE 56 Cb 0.92 -0.28 0.24 0.00 -0.00 0.00 0.00 39.64 40.52 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 -0.86 -0.28 0.38 2.02 -0.64 -4.80 118.70 112.51 3hmg s GLU 57 Ca 0.22 0.53 -0.25 0.00 0.02 0.00 0.00 54.97 55.49 3hmg s GLU 57 Cb 0.10 -1.59 -0.11 0.00 0.10 0.00 0.00 34.13 32.63 3hmg s GLU 57 CO 0.17 -3.60 1.01 1.17 0.02 0.00 0.00 175.26 174.03 3hmg n LYS 58 N -4.79 0.00 -2.38 1.61 3.00 -1.26 -4.94 118.16 109.40 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 -0.83 -0.04 0.00 0.00 0.00 0.00 35.03 34.73 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 3.31 0.13 3.15 -4.23 -1.26 -5.03 115.64 114.07 3hmg s THR 59 Ca 0.62 1.29 -0.18 0.00 -1.18 0.00 0.00 61.69 62.25 3hmg s THR 59 Cb -0.83 -3.82 -0.07 0.00 1.34 0.00 0.00 72.50 69.11 3hmg s THR 59 CO 0.42 0.30 0.59 0.54 -0.54 0.00 0.00 174.62 175.93 3hmg s ASN 60 N -0.68 6.98 -0.08 3.99 4.22 -1.26 -5.07 114.94 123.04 3hmg s ASN 60 Ca 0.46 1.23 -0.01 0.00 -2.14 0.00 0.00 52.86 52.40 3hmg s ASN 60 Cb -0.34 -2.35 -0.03 0.00 1.28 0.00 0.00 41.25 39.81 3hmg s ASN 60 CO 0.43 0.17 -0.03 -1.83 -2.04 0.00 0.00 177.10 173.81 3hmg s GLU 61 N -1.57 2.94 0.07 3.55 -1.05 -1.26 -5.10 118.70 116.28 3hmg s GLU 61 Ca 0.35 -0.47 0.07 0.00 -0.15 0.00 0.00 54.97 54.76 3hmg s GLU 61 Cb -0.17 -2.72 -0.03 0.00 -0.44 0.00 0.00 34.13 30.76 3hmg s GLU 61 CO 0.20 0.66 -0.17 0.15 0.95 0.00 0.00 175.26 177.04 3hmg s LYS 62 N -0.77 1.02 0.00 -4.83 -0.14 -1.26 -5.12 119.74 108.63 3hmg s LYS 62 Ca 0.12 -1.00 0.00 0.00 -1.36 0.00 0.00 55.97 53.73 3hmg s LYS 62 Cb -0.11 -1.14 0.00 0.00 -1.68 0.00 0.00 37.83 34.90 3hmg s LYS 62 CO 0.02 0.27 0.00 1.19 -0.76 0.00 0.00 175.35 176.07 3hmg n PHE 63 N 1.37 0.00 -2.23 3.18 3.72 -1.26 -5.01 117.46 117.23 3hmg n PHE 63 Ca -0.20 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 39.05 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 1.67 2.42 0.00 1.38 2.46 -1.26 -4.96 115.29 117.00 3hmg s HIS 64 Ca 0.00 0.63 0.00 0.00 0.47 0.00 0.00 55.06 56.16 3hmg s HIS 64 Cb 0.00 -3.73 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 3hmg s HIS 64 CO 0.00 -2.68 0.00 1.04 -2.47 0.00 0.00 174.74 170.63 3hmg n GLN 65 N 6.95 0.44 -4.20 2.88 6.02 -1.26 -5.16 117.38 123.06 3hmg n GLN 65 Ca 0.16 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 31.63 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 4.02 2.74 0.21 5.09 -4.36 -1.26 -5.10 121.20 122.53 3hmg s ILE 66 Ca 0.00 -1.80 -0.30 0.00 -0.26 0.00 0.00 60.65 58.29 3hmg s ILE 66 Cb 0.00 -2.91 -0.08 0.00 1.25 0.00 0.00 42.46 40.72 3hmg s ILE 66 CO 0.00 -0.16 0.94 -1.61 0.24 0.00 0.00 174.94 174.36 3hmg s GLU 67 N -3.81 4.81 0.00 0.37 0.41 -1.26 -4.95 118.70 114.28 3hmg s GLU 67 Ca 0.37 1.47 0.07 0.00 -0.41 0.00 0.00 54.97 56.47 3hmg s GLU 67 Cb -0.00 -3.30 0.11 0.00 -1.78 0.00 0.00 34.13 29.16 3hmg s GLU 67 CO 0.21 0.44 0.91 1.63 -0.49 0.00 0.00 175.26 177.97 3hmg n LYS 68 N 1.82 1.25 -3.91 1.61 4.76 -1.26 -4.87 118.16 117.56 3hmg n LYS 68 Ca -0.01 -1.32 -0.12 0.00 -2.87 0.00 0.00 58.31 53.99 3hmg n LYS 68 Cb 0.48 -1.15 -0.14 0.00 -1.84 0.00 0.00 35.03 32.38 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 -0.76 0.08 0.06 1.97 2.02 -1.26 -5.06 118.70 115.75 3hmg s GLU 69 Ca 0.11 -0.12 0.05 0.00 0.02 0.00 0.00 54.97 55.03 3hmg s GLU 69 Cb 0.07 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 3hmg s GLU 69 CO 0.09 -0.00 -0.14 -0.06 0.02 0.00 0.00 175.26 175.17 3hmg s PHE 70 N -0.25 1.18 -0.82 1.61 0.08 -1.26 -5.05 117.98 113.47 3hmg s PHE 70 Ca -0.03 -0.43 0.10 0.00 0.12 0.00 0.00 56.93 56.69 3hmg s PHE 70 Cb -0.02 -0.68 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 3hmg s PHE 70 CO -0.00 0.04 0.58 -1.13 -0.10 0.00 0.00 175.22 174.62 3hmg n SER 71 N 1.44 1.01 -4.29 1.36 3.41 -1.26 -5.02 113.62 110.27 3hmg n SER 71 Ca -0.20 -1.01 -0.16 0.00 -0.26 0.00 0.00 58.87 57.24 3hmg n SER 71 Cb 0.54 0.63 -0.10 0.00 -0.26 0.00 0.00 64.21 65.02 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 -1.57 1.30 -0.23 4.33 -6.30 -1.26 -5.12 118.70 109.85 3hmg s GLU 72 Ca 0.07 -1.67 -0.13 0.00 -2.50 0.00 0.00 54.97 50.74 3hmg s GLU 72 Cb 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 34.13 33.85 3hmg s GLU 72 CO 0.31 -0.21 0.29 0.08 0.02 0.00 0.00 175.26 175.75 3hmg s VAL 73 N -3.67 5.27 0.00 3.70 1.01 -1.26 -4.94 120.40 120.50 3hmg s VAL 73 Ca 0.32 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.75 3hmg s VAL 73 Cb 0.07 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.83 3hmg s VAL 73 CO 0.10 0.28 0.00 -0.62 0.00 0.00 0.00 175.10 174.86 3hmg n GLU 74 N 4.49 2.03 0.00 2.72 1.02 -1.26 -5.12 120.64 124.52 3hmg n GLU 74 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3hmg n GLU 74 Cb 0.51 -0.99 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 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 2.72 0.83 0.24 0.62 0.00 -1.26 -4.75 105.19 103.59 3hmg n GLY 75 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.32 0.00 1.61 2.43 -2.00 -0.63 114.38 115.48 3hmg h ARG 76 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 3hmg h ARG 76 Cb 0.00 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hmg h ARG 76 CO 0.00 -0.21 -0.44 0.97 -1.51 0.00 0.00 179.97 178.78 3hmg h ILE 77 N -0.33 1.22 0.03 1.20 6.09 -2.00 -2.48 117.51 121.23 3hmg h ILE 77 Ca 0.05 -1.56 -0.22 0.00 -1.37 0.00 0.00 64.86 61.76 3hmg h ILE 77 Cb 0.39 1.86 -0.00 0.00 0.47 0.00 0.00 36.82 39.54 3hmg h ILE 77 CO -0.16 0.43 -0.98 -0.61 -3.07 0.00 0.00 178.15 173.76 3hmg h GLN 78 N 0.00 0.26 -0.92 2.19 4.15 -1.61 -1.79 115.11 117.39 3hmg h GLN 78 Ca -0.00 -0.32 0.03 0.00 0.77 0.00 0.00 58.65 59.12 3hmg h GLN 78 Cb 0.83 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.57 3hmg h GLN 78 CO 0.06 1.06 0.60 -0.44 -1.93 0.00 0.00 178.83 178.18 3hmg h ASP 79 N 0.13 1.01 -0.12 -0.69 3.32 -0.79 -0.47 116.42 118.81 3hmg h ASP 79 Ca -0.07 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3hmg h ASP 79 Cb 1.64 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.95 3hmg h ASP 79 CO 0.16 0.70 -0.13 0.25 -1.72 0.00 0.00 179.24 178.50 3hmg h LEU 80 N 1.18 0.33 -0.62 1.55 5.85 -1.05 -1.21 115.31 121.33 3hmg h LEU 80 Ca 0.36 -0.49 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3hmg h LEU 80 Cb -0.03 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3hmg h LEU 80 CO -0.10 0.75 0.30 -0.33 -0.34 0.00 0.00 178.44 178.72 3hmg h GLU 81 N -0.09 0.54 -0.37 1.25 5.08 -0.99 0.13 114.58 120.12 3hmg h GLU 81 Ca 0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3hmg h GLU 81 Cb 0.66 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3hmg h GLU 81 CO 0.03 0.35 0.19 0.87 -1.00 0.00 0.00 179.01 179.46 3hmg h LYS 82 N 0.55 0.52 -0.78 2.33 1.57 -1.01 -2.94 116.57 116.80 3hmg h LYS 82 Ca 0.29 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3hmg h LYS 82 Cb 0.26 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3hmg h LYS 82 CO -0.23 0.45 0.39 -0.92 -0.57 0.00 0.00 179.45 178.57 3hmg h TYR 83 N 0.46 1.11 -0.57 -1.35 5.03 0.06 -0.36 116.97 121.34 3hmg h TYR 83 Ca 0.13 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 3hmg h TYR 83 Cb 0.09 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 3hmg h TYR 83 CO -0.02 0.79 0.24 0.28 -1.32 0.00 0.00 178.16 178.13 3hmg h VAL 84 N 1.11 1.22 0.05 1.81 2.07 -0.75 -0.18 116.25 121.57 3hmg h VAL 84 Ca 0.27 -0.68 -0.25 0.00 0.82 0.00 0.00 66.70 66.87 3hmg h VAL 84 Cb 0.09 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3hmg h VAL 84 CO -0.04 0.26 -1.05 -0.08 0.02 0.00 0.00 177.57 176.68 3hmg h GLU 85 N 0.78 0.40 -0.30 1.57 4.57 -1.27 -1.50 114.58 118.83 3hmg h GLU 85 Ca 0.19 -0.50 -0.12 0.00 -1.18 0.00 0.00 59.36 57.76 3hmg h GLU 85 Cb 0.19 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3hmg h GLU 85 CO -0.02 1.17 -0.30 0.22 -1.18 0.00 0.00 179.01 178.90 3hmg h ASP 86 N 0.20 0.64 0.80 1.04 3.58 -1.00 -0.83 116.42 120.85 3hmg h ASP 86 Ca -0.11 -0.25 -0.12 0.00 0.42 0.00 0.00 57.03 56.98 3hmg h ASP 86 Cb 1.71 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.57 3hmg h ASP 86 CO 0.18 0.90 -0.55 0.71 -2.88 0.00 0.00 179.24 177.60 3hmg h THR 87 N 0.53 1.22 -0.38 2.25 1.35 -0.90 -2.13 112.91 114.85 3hmg h THR 87 Ca 0.07 -2.02 -0.02 0.00 -0.55 0.00 0.00 66.41 63.88 3hmg h THR 87 Cb 0.78 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.33 3hmg h THR 87 CO 0.06 0.54 0.15 0.50 -0.25 0.00 0.00 175.52 176.53 3hmg h LYS 88 N 0.00 0.57 -0.31 4.72 3.64 -0.69 -2.30 116.57 122.20 3hmg h LYS 88 Ca -0.01 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3hmg h LYS 88 Cb 1.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3hmg h LYS 88 CO 0.07 0.55 0.02 0.82 -2.27 0.00 0.00 179.45 178.64 3hmg h ILE 89 N 0.47 1.25 -0.18 2.00 2.04 -0.86 -0.38 117.51 121.85 3hmg h ILE 89 Ca 0.13 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3hmg h ILE 89 Cb 0.19 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3hmg h ILE 89 CO -0.01 0.29 -0.19 0.44 0.00 0.00 0.00 178.15 178.68 3hmg h ASP 90 N 0.35 0.29 -0.41 1.72 3.32 -1.36 0.11 116.42 120.44 3hmg h ASP 90 Ca 0.09 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 3hmg h ASP 90 Cb 0.40 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3hmg h ASP 90 CO 0.01 0.50 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.65 3hmg h LEU 91 N 0.28 0.98 -0.83 1.55 3.38 -1.05 -0.42 115.31 119.20 3hmg h LEU 91 Ca 0.05 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3hmg h LEU 91 Cb 0.50 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hmg h LEU 91 CO 0.03 1.22 -0.45 -0.50 0.09 0.00 0.00 178.44 178.82 3hmg h TRP 92 N 0.76 0.00 -0.12 1.13 4.06 -0.69 -2.00 115.95 119.09 3hmg h TRP 92 Ca 0.08 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.84 3hmg h TRP 92 Cb 0.90 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.06 3hmg h TRP 92 CO 0.06 0.45 -0.69 0.77 -3.56 0.00 0.00 178.44 175.47 3hmg h SER 93 N 0.00 0.59 -0.17 -3.49 0.02 -0.37 -1.09 113.55 109.05 3hmg h SER 93 Ca -0.00 -0.37 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 3hmg h SER 93 Cb 0.99 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3hmg h SER 93 CO 0.06 1.11 0.04 0.22 -1.14 0.00 0.00 176.83 177.13 3hmg h TYR 94 N 0.36 0.28 -0.68 3.45 5.03 -1.00 -1.55 116.97 122.86 3hmg h TYR 94 Ca -0.02 -0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.38 3hmg h TYR 94 Cb 1.27 -0.08 -0.09 0.00 1.55 0.00 0.00 36.73 39.38 3hmg h TYR 94 CO 0.05 0.39 0.23 -0.91 -1.32 0.00 0.00 178.16 176.61 3hmg h ASN 95 N 0.09 0.18 -0.19 -2.11 2.35 -1.14 0.01 115.58 114.76 3hmg h ASN 95 Ca 0.05 0.10 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 3hmg h ASN 95 Cb 0.25 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3hmg h ASN 95 CO -0.00 0.08 -0.42 0.00 -1.65 0.00 0.00 177.43 175.44 3hmg h ALA 96 N 1.50 0.69 -0.62 -0.83 0.00 -0.84 -2.17 119.26 116.99 3hmg h ALA 96 Ca 0.36 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hmg h ALA 96 Cb 0.52 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3hmg h ALA 96 CO -0.38 0.67 0.10 1.49 0.00 0.00 0.00 179.25 181.12 3hmg h GLU 97 N 0.60 1.03 -0.08 0.00 4.57 -0.26 -2.12 114.58 118.32 3hmg h GLU 97 Ca 0.04 -0.28 -0.15 0.00 -1.18 0.00 0.00 59.36 57.79 3hmg h GLU 97 Cb 0.98 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 3hmg h GLU 97 CO 0.09 0.97 -0.62 1.25 -1.18 0.00 0.00 179.01 179.51 3hmg h LEU 98 N 0.94 0.35 0.38 1.64 5.85 -0.98 -2.78 115.31 120.71 3hmg h LEU 98 Ca 0.19 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3hmg h LEU 98 Cb 0.44 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3hmg h LEU 98 CO 0.01 0.88 -0.18 0.25 -0.34 0.00 0.00 178.44 179.07 3hmg h LEU 99 N 0.23 -0.43 -0.96 2.25 5.85 -0.82 -0.75 115.31 120.67 3hmg h LEU 99 Ca -0.01 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3hmg h LEU 99 Cb 1.15 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3hmg h LEU 99 CO 0.10 -0.22 -0.47 -0.37 -0.34 0.00 0.00 178.44 177.14 3hmg h VAL 100 N -0.62 1.21 -0.04 1.05 -1.51 -1.47 -0.45 116.25 114.42 3hmg h VAL 100 Ca -0.05 -1.70 -0.00 0.00 -1.23 0.00 0.00 66.70 63.71 3hmg h VAL 100 Cb 0.45 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.56 3hmg h VAL 100 CO 0.08 0.47 0.02 0.00 -1.23 0.00 0.00 177.57 176.91 3hmg h ALA 101 N 1.53 0.05 0.49 5.19 0.00 -1.19 0.65 119.26 125.97 3hmg h ALA 101 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hmg h ALA 101 Cb 0.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hmg h ALA 101 CO 0.06 -0.39 -0.23 -0.07 0.00 0.00 0.00 179.25 178.62 3hmg h LEU 102 N -0.06 -0.55 -0.47 0.00 3.38 -0.87 -2.08 115.31 114.66 3hmg h LEU 102 Ca 0.01 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.07 3hmg h LEU 102 Cb 0.12 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 3hmg h LEU 102 CO -0.00 -0.36 -0.07 -0.33 0.09 0.00 0.00 178.44 177.77 3hmg h GLU 103 N -0.71 0.04 -0.64 1.13 4.39 -1.02 -0.65 114.58 117.12 3hmg h GLU 103 Ca -0.07 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 3hmg h GLU 103 Cb 0.53 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3hmg h GLU 103 CO 0.11 0.03 0.23 -0.91 -1.16 0.00 0.00 179.01 177.31 3hmg h ASN 104 N 0.04 0.88 -0.12 1.42 2.35 -0.79 0.93 115.58 120.30 3hmg h ASN 104 Ca 0.23 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3hmg h ASN 104 Cb 0.35 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3hmg h ASN 104 CO -0.45 0.81 0.05 -0.61 -1.65 0.00 0.00 177.43 175.58 3hmg h GLN 105 N 0.94 0.18 -0.17 0.81 5.75 -0.61 -1.54 115.11 120.48 3hmg h GLN 105 Ca 0.21 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 3hmg h GLN 105 Cb 0.22 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3hmg h GLN 105 CO -0.01 0.27 -0.19 1.25 -2.65 0.00 0.00 178.83 177.49 3hmg h HIS 106 N 0.06 0.31 -0.21 3.99 2.76 -0.17 -2.52 115.15 119.36 3hmg h HIS 106 Ca 0.04 -0.05 -0.20 0.00 -2.20 0.00 0.00 60.37 57.96 3hmg h HIS 106 Cb 0.15 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3hmg h HIS 106 CO -0.02 0.47 -0.67 1.15 -1.30 0.00 0.00 177.93 177.56 3hmg h THR 107 N 0.26 1.28 -0.64 6.26 2.02 -0.27 0.75 112.91 122.58 3hmg h THR 107 Ca 0.05 -1.87 -0.05 0.00 0.77 0.00 0.00 66.41 65.30 3hmg h THR 107 Cb 0.50 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 68.71 3hmg h THR 107 CO 0.03 0.60 0.19 0.40 0.37 0.00 0.00 175.52 177.11 3hmg h ILE 108 N 0.58 1.24 0.00 3.11 2.04 -0.95 -2.00 117.51 121.53 3hmg h ILE 108 Ca -0.02 -0.84 -0.16 0.00 1.00 0.00 0.00 64.86 64.84 3hmg h ILE 108 Cb 1.28 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3hmg h ILE 108 CO 0.14 0.32 -0.76 0.44 0.00 0.00 0.00 178.15 178.29 3hmg h ASP 109 N 0.94 0.00 0.02 1.72 3.32 -1.23 -1.87 116.42 119.32 3hmg h ASP 109 Ca 0.21 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3hmg h ASP 109 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hmg h ASP 109 CO -0.01 0.76 -0.01 0.25 -1.72 0.00 0.00 179.24 178.52 3hmg h LEU 110 N 0.00 -0.02 -1.27 1.55 6.46 -0.55 0.26 115.31 121.74 3hmg h LEU 110 Ca -0.01 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.46 3hmg h LEU 110 Cb 1.41 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.33 3hmg h LEU 110 CO 0.10 0.21 -0.36 0.71 -0.62 0.00 0.00 178.44 178.48 3hmg h THR 111 N -0.24 1.26 -0.51 1.05 1.35 -1.40 -1.03 112.91 113.38 3hmg h THR 111 Ca -0.00 -1.24 -0.02 0.00 -0.55 0.00 0.00 66.41 64.60 3hmg h THR 111 Cb 0.24 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 3hmg h THR 111 CO 0.00 0.35 0.25 -0.78 -0.25 0.00 0.00 175.52 175.09 3hmg h ASP 112 N 0.00 0.67 -0.33 5.36 1.82 -1.03 -2.25 116.42 120.66 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 0.64 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 3hmg h ASP 112 CO 0.05 0.61 0.19 -1.28 -1.61 0.00 0.00 179.24 177.20 3hmg h SER 113 N 0.68 0.40 -0.30 2.28 0.87 -0.33 -1.33 113.55 115.83 3hmg h SER 113 Ca 0.18 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 3hmg h SER 113 Cb 0.12 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hmg h SER 113 CO -0.02 0.35 0.00 -0.33 -0.53 0.00 0.00 176.83 176.30 3hmg h GLU 114 N 0.42 0.63 -0.19 2.24 4.39 -1.02 0.14 114.58 121.19 3hmg h GLU 114 Ca 0.12 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3hmg h GLU 114 Cb 0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3hmg h GLU 114 CO -0.02 0.65 0.12 1.98 -1.16 0.00 0.00 179.01 180.57 3hmg h MET 115 N 0.60 0.26 -0.58 2.33 4.05 -1.06 -1.86 114.93 118.68 3hmg h MET 115 Ca 0.12 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 3hmg h MET 115 Cb 0.38 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 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 0.23 0.74 -0.81 1.39 -1.24 -0.38 -2.03 115.58 113.47 3hmg h ASN 116 Ca 0.07 -0.11 -0.03 0.00 0.71 0.00 0.00 56.30 56.94 3hmg h ASN 116 Cb 0.02 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 3hmg h ASN 116 CO -0.01 0.64 0.41 0.11 -1.29 0.00 0.00 177.43 177.28 3hmg h LYS 117 N 0.78 1.16 -0.59 6.67 1.57 -0.46 -0.31 116.57 125.39 3hmg h LYS 117 Ca 0.20 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hmg h LYS 117 Cb 0.08 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 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 1.16 0.78 -0.03 2.94 6.46 -1.00 -0.55 115.31 125.06 3hmg h LEU 118 Ca 0.28 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.90 3hmg h LEU 118 Cb 0.09 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 3hmg h LEU 118 CO -0.04 0.70 0.02 0.15 -0.62 0.00 0.00 178.44 178.65 3hmg h PHE 119 N 0.80 0.05 -0.53 1.25 3.57 -0.57 -0.25 116.94 121.26 3hmg h PHE 119 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3hmg h PHE 119 Cb 0.14 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3hmg h PHE 119 CO 0.00 0.16 0.15 0.93 -2.23 0.00 0.00 178.31 177.32 3hmg h GLU 120 N -0.08 0.81 -0.34 1.11 4.39 -0.90 0.11 114.58 119.68 3hmg h GLU 120 Ca 0.01 -0.15 -0.10 0.00 0.34 0.00 0.00 59.36 59.46 3hmg h GLU 120 Cb 0.13 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3hmg h GLU 120 CO -0.00 0.72 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.18 3hmg h LYS 121 N 0.78 0.71 -0.65 2.33 3.64 -0.83 -1.39 116.57 121.16 3hmg h LYS 121 Ca 0.18 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 3hmg h LYS 121 Cb 0.26 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 3hmg h LYS 121 CO -0.01 0.91 0.18 1.15 -2.27 0.00 0.00 179.45 179.42 3hmg h THR 122 N 0.49 1.25 -0.10 1.00 2.02 -0.46 -2.89 112.91 114.22 3hmg h THR 122 Ca 0.08 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3hmg h THR 122 Cb 0.70 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 3hmg h THR 122 CO 0.05 0.34 -0.09 -0.09 0.37 0.00 0.00 175.52 176.10 3hmg h ARG 123 N 0.95 -0.10 -0.28 6.66 2.43 -0.67 -2.49 114.38 120.87 3hmg h ARG 123 Ca 0.21 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3hmg h ARG 123 Cb 0.33 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hmg h ARG 123 CO -0.00 -0.07 0.16 0.00 -1.51 0.00 0.00 179.97 178.55 3hmg h ARG 124 N -0.10 0.38 -0.35 0.20 3.08 -1.10 -1.76 114.38 114.73 3hmg h ARG 124 Ca 0.07 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.92 3hmg h ARG 124 Cb 0.20 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3hmg h ARG 124 CO -0.16 0.28 -0.45 0.37 -1.07 0.00 0.00 179.97 178.93 3hmg h GLN 125 N 0.39 0.92 0.00 0.04 4.15 -1.26 -3.06 115.11 116.29 3hmg h GLN 125 Ca 0.10 -0.52 0.00 0.00 0.77 0.00 0.00 58.65 59.00 3hmg h GLN 125 Cb 0.00 0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3hmg h GLN 125 CO -0.02 1.17 0.00 1.28 -1.93 0.00 0.00 178.83 179.33 3hmg n LEU 126 N -4.04 0.00 0.00 -2.39 4.77 -0.67 -4.63 117.00 110.04 3hmg n LEU 126 Ca -0.03 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3hmg n LEU 126 Cb 0.58 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3hmg n LEU 126 CO 0.49 -0.13 0.00 0.54 -1.33 0.00 0.00 177.39 176.96 3hmg n ARG 127 N -1.31 0.00 -0.56 3.23 5.12 -1.16 -1.31 116.66 120.66 3hmg n ARG 127 Ca 0.08 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 56.06 3hmg n ARG 127 Cb 0.15 0.00 0.28 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 11.95 3.46 0.00 5.56 -0.58 -1.26 -4.18 120.64 135.58 3hmg n GLU 128 Ca 0.00 -2.19 0.09 0.00 -0.42 0.00 0.00 57.16 54.64 3hmg n GLU 128 Cb 0.00 -1.91 -0.05 0.00 -0.57 0.00 0.00 31.44 28.91 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 0.59 1.42 -4.12 1.62 3.02 -0.43 -4.57 115.26 112.78 3hmg n ASN 129 Ca 0.19 -1.21 -0.09 0.00 -0.03 0.00 0.00 54.58 53.45 3hmg n ASN 129 Cb 0.82 0.72 -0.10 0.00 -0.61 0.00 0.00 39.78 40.62 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 -2.51 0.71 0.08 5.41 0.00 -1.25 -0.66 121.76 123.54 3hmg s ALA 130 Ca 0.12 -1.26 0.08 0.00 0.00 0.00 0.00 51.96 50.90 3hmg s ALA 130 Cb 0.15 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3hmg s ALA 130 CO 0.64 -0.31 -0.21 -1.21 0.00 0.00 0.00 175.76 174.67 3hmg s GLU 131 N -3.85 1.19 -0.35 0.00 2.02 -0.35 -4.92 118.70 112.45 3hmg s GLU 131 Ca 0.09 -1.08 -0.28 0.00 0.02 0.00 0.00 54.97 53.72 3hmg s GLU 131 Cb 0.07 -1.40 0.02 0.00 0.10 0.00 0.00 34.13 32.91 3hmg s GLU 131 CO -0.08 0.34 1.02 -2.00 0.02 0.00 0.00 175.26 174.56 3hmg s GLU 132 N -1.66 3.96 0.00 1.61 2.12 -1.26 -0.39 118.70 123.08 3hmg s GLU 132 Ca 0.06 0.86 0.22 0.00 0.36 0.00 0.00 54.97 56.47 3hmg s GLU 132 Cb -0.10 -3.77 1.29 0.00 0.26 0.00 0.00 34.13 31.81 3hmg s GLU 132 CO 0.03 -0.95 1.73 -1.33 -0.54 0.00 0.00 175.26 174.20 3hmg n MET 133 N 6.91 0.82 -1.13 4.30 2.81 0.05 -4.86 117.12 126.02 3hmg n MET 133 Ca 0.10 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.95 3hmg n MET 133 Cb 0.48 -1.41 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 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 0.58 0.73 1.07 3.03 0.00 -1.26 -4.85 105.19 104.49 3hmg n GLY 134 Ca 0.16 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.39 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 1.19 0.81 0.00 1.61 6.94 -1.26 -4.92 115.26 119.63 3hmg n ASN 135 Ca -0.04 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 3hmg n ASN 135 Cb 0.15 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 0.15 1.37 3.53 4.83 0.00 -1.24 -4.64 105.19 109.18 3hmg n GLY 136 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 0.48 3.67 -0.33 0.00 0.40 -1.26 -0.77 117.98 120.17 3hmg s PHE 138 Ca -0.01 1.06 -0.18 0.00 -0.60 0.00 0.00 56.93 57.20 3hmg s PHE 138 Cb -0.14 -2.47 -0.01 0.00 0.51 0.00 0.00 43.02 40.91 3hmg s PHE 138 CO 0.02 0.43 0.52 0.21 0.70 0.00 0.00 175.22 177.10 3hmg s LYS 139 N -0.39 3.74 -0.16 0.44 2.20 0.48 -4.90 119.74 121.15 3hmg s LYS 139 Ca 0.27 -0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.64 3hmg s LYS 139 Cb -0.17 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 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 2.39 5.04 -0.34 5.43 1.01 -1.26 -1.21 121.20 132.25 3hmg s ILE 140 Ca 0.19 1.24 0.00 0.00 0.00 0.00 0.00 60.65 62.09 3hmg s ILE 140 Cb -0.15 -3.96 0.30 0.00 0.01 0.00 0.00 42.46 38.66 3hmg s ILE 140 CO 0.12 0.16 1.86 -1.22 0.00 0.00 0.00 174.94 175.86 3hmg n TYR 141 N 4.62 1.84 -3.52 3.97 4.02 0.16 -4.88 117.16 123.37 3hmg n TYR 141 Ca -0.02 -1.87 -0.12 0.00 -0.01 0.00 0.00 57.90 55.88 3hmg n TYR 141 Cb 0.50 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.87 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 -2.10 -0.41 -0.04 -0.72 -3.43 -1.26 -3.60 115.29 103.72 3hmg s HIS 142 Ca 0.36 0.25 -0.30 0.00 -0.80 0.00 0.00 55.06 54.58 3hmg s HIS 142 Cb 0.29 0.41 -0.07 0.00 -1.43 0.00 0.00 32.58 31.78 3hmg s HIS 142 CO 0.02 -0.75 1.81 0.21 -2.00 0.00 0.00 174.74 174.03 3hmg s LYS 143 N -3.38 4.08 -0.33 -0.38 2.20 -1.26 -4.93 119.74 115.74 3hmg s LYS 143 Ca -0.00 2.32 0.02 0.00 -0.36 0.00 0.00 55.97 57.95 3hmg s LYS 143 Cb -0.00 -4.08 0.10 0.00 -1.51 0.00 0.00 37.83 32.34 3hmg s LYS 143 CO -0.09 -0.99 0.07 0.00 -0.36 0.00 0.00 175.35 173.97 3hmg n ASP 145 N 4.48 -0.09 0.25 0.00 5.68 -1.26 -3.78 116.55 121.82 3hmg n ASP 145 Ca 0.01 -1.21 0.11 0.00 -0.50 0.00 0.00 54.79 53.20 3hmg n ASP 145 Cb 0.42 -0.52 0.66 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.99 0.00 0.12 -1.12 2.35 -1.96 -1.13 115.58 112.86 3hmg h ASN 146 Ca -0.22 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.30 3hmg h ASN 146 Cb 0.61 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.99 3hmg h ASN 146 CO 0.15 0.14 -0.88 0.00 -1.65 0.00 0.00 177.43 175.20 3hmg h ALA 147 N 1.86 0.35 -0.04 -0.83 0.00 -1.98 -0.10 119.26 118.51 3hmg h ALA 147 Ca -0.00 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.28 3hmg h ALA 147 Cb 0.35 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hmg h ALA 147 CO 0.02 0.74 -0.13 0.00 0.00 0.00 0.00 179.25 179.88 3hmg h ILE 149 N -0.19 1.13 0.00 0.00 1.08 -1.09 -0.57 117.51 117.87 3hmg h ILE 149 Ca 0.06 -0.40 -0.09 0.00 -0.39 0.00 0.00 64.86 64.04 3hmg h ILE 149 Cb 0.27 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.86 3hmg h ILE 149 CO -0.16 0.22 -0.41 -0.08 -0.69 0.00 0.00 178.15 177.03 3hmg h GLU 150 N 1.18 0.00 -0.04 2.37 4.57 0.07 -1.94 114.58 120.79 3hmg h GLU 150 Ca 0.40 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.39 3hmg h GLU 150 Cb 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 3hmg h GLU 150 CO -0.14 0.41 -0.79 0.66 -1.18 0.00 0.00 179.01 177.97 3hmg h SER 151 N 0.00 0.40 0.05 1.04 4.64 0.88 0.16 113.55 120.72 3hmg h SER 151 Ca -0.00 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3hmg h SER 151 Cb 0.76 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3hmg h SER 151 CO 0.05 1.04 -0.03 0.40 -0.87 0.00 0.00 176.83 177.43 3hmg h ILE 152 N 0.21 1.09 -0.29 0.95 2.04 -1.08 0.41 117.51 120.84 3hmg h ILE 152 Ca -0.04 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3hmg h ILE 152 Cb 1.39 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3hmg h ILE 152 CO 0.13 0.12 0.07 0.03 0.00 0.00 0.00 178.15 178.49 3hmg h ARG 153 N -0.27 0.47 -0.00 2.37 3.08 -1.28 -2.27 114.38 116.47 3hmg h ARG 153 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3hmg h ARG 153 Cb 0.24 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hmg h ARG 153 CO 0.01 0.55 0.00 0.27 -1.07 0.00 0.00 179.97 179.73 3hmg n ASN 154 N -4.67 0.04 0.00 7.04 0.23 0.53 -4.90 115.26 113.52 3hmg n ASN 154 Ca -0.02 -1.02 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 3hmg n ASN 154 Cb 0.19 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.89 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 1.00 0.58 0.56 4.83 0.00 0.09 -4.95 105.19 107.31 3hmg n GLY 155 Ca 0.24 -0.81 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 -2.92 1.02 -1.68 2.61 -2.24 0.12 -4.99 114.28 106.20 3hmg n THR 156 Ca 0.00 -1.01 -0.46 0.00 -2.27 0.00 0.00 64.05 60.31 3hmg n THR 156 Cb 0.10 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.38 2.38 -3.49 4.78 4.19 -0.92 -4.93 117.16 119.55 3hmg n TYR 157 Ca 0.10 0.12 -0.42 0.00 3.31 0.00 0.00 57.90 61.02 3hmg n TYR 157 Cb 0.41 -2.61 -0.10 0.00 0.49 0.00 0.00 39.34 37.53 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 1.92 6.09 0.34 2.98 3.68 -1.26 -4.95 116.67 125.47 3hmg s ASP 158 Ca 0.82 -0.66 0.13 0.00 2.13 0.00 0.00 52.55 54.98 3hmg s ASP 158 Cb -0.64 -2.15 0.62 0.00 -1.45 0.00 0.00 42.92 39.30 3hmg s ASP 158 CO 0.40 -0.35 1.75 1.12 0.13 0.00 0.00 175.17 178.23 3hmg h HIS 159 N 8.56 0.00 -0.83 -5.34 2.07 -1.93 -2.93 115.15 114.75 3hmg h HIS 159 Ca -0.29 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.21 3hmg h HIS 159 Cb 1.14 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.08 3hmg h HIS 159 CO 0.61 0.45 0.44 -0.44 -3.07 0.00 0.00 177.93 175.92 3hmg h ASP 160 N 0.00 1.04 -0.89 3.10 3.32 -1.96 -0.65 116.42 120.38 3hmg h ASP 160 Ca -0.00 -0.10 0.24 0.00 0.02 0.00 0.00 57.03 57.19 3hmg h ASP 160 Cb 0.82 -0.27 -0.14 0.00 0.22 0.00 0.00 39.33 39.97 3hmg h ASP 160 CO 0.06 0.84 0.27 0.58 -1.72 0.00 0.00 179.24 179.27 3hmg h VAL 161 N 1.16 0.32 -0.18 -1.35 2.07 -1.95 -1.11 116.25 115.22 3hmg h VAL 161 Ca 0.29 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.73 3hmg h VAL 161 Cb 0.04 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3hmg h VAL 161 CO -0.05 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.37 3hmg n TYR 162 N -5.20 0.23 0.05 1.57 4.01 -0.72 -4.72 117.16 112.37 3hmg n TYR 162 Ca 0.22 -0.35 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 3hmg n TYR 162 Cb 0.70 -0.02 -0.04 0.00 -0.31 0.00 0.00 39.34 39.66 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 1.49 -0.34 -0.99 -0.72 2.43 0.20 -0.54 114.38 115.91 3hmg h ARG 163 Ca 0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.24 3hmg h ARG 163 Cb 0.57 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.14 3hmg h ARG 163 CO 0.00 -0.23 0.64 -0.44 -1.51 0.00 0.00 179.97 178.43 3hmg h ASP 164 N -0.36 1.06 0.65 -3.80 3.32 -1.85 0.18 116.42 115.63 3hmg h ASP 164 Ca 0.07 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 3hmg h ASP 164 Cb 0.45 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.77 3hmg h ASP 164 CO -0.23 0.71 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.61 3hmg h GLU 165 N 1.22 -0.85 -0.18 3.56 4.81 -1.80 -1.30 114.58 120.05 3hmg h GLU 165 Ca 0.40 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 3hmg h GLU 165 Cb 0.04 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hmg h GLU 165 CO -0.14 -0.54 0.04 0.00 -0.73 0.00 0.00 179.01 177.64 3hmg h ALA 166 N -0.65 0.19 -0.44 2.92 0.00 -0.68 -0.91 119.26 119.68 3hmg h ALA 166 Ca -0.09 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hmg h ALA 166 Cb 0.70 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3hmg h ALA 166 CO 0.15 -0.39 0.25 1.25 0.00 0.00 0.00 179.25 180.50 3hmg h LEU 167 N 0.12 0.39 -0.14 0.00 5.85 -0.67 0.36 115.31 121.22 3hmg h LEU 167 Ca 0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hmg h LEU 167 Cb 0.07 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3hmg h LEU 167 CO -0.10 0.28 0.06 -1.13 -0.34 0.00 0.00 178.44 177.21 3hmg h ASN 168 N 0.50 0.18 0.31 1.25 -0.73 -0.81 -1.02 115.58 115.26 3hmg h ASN 168 Ca 0.18 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 3hmg h ASN 168 Cb 0.04 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 3hmg h ASN 168 CO -0.10 0.26 -0.06 -1.13 -0.37 0.00 0.00 177.43 176.03 3hmg h ASN 169 N 0.09 0.00 0.04 1.15 -1.24 -0.70 -3.11 115.58 111.81 3hmg h ASN 169 Ca 0.05 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 56.81 3hmg h ASN 169 Cb 0.13 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 3hmg h ASN 169 CO -0.01 0.06 -1.33 -0.09 -1.29 0.00 0.00 177.43 174.77 3hmg h ARG 170 N 0.00 0.09 -1.09 6.67 2.43 0.34 -3.38 114.38 119.45 3hmg h ARG 170 Ca -0.00 -0.15 -0.59 0.00 -0.81 0.00 0.00 59.98 58.42 3hmg h ARG 170 Cb 0.22 0.06 -0.26 0.00 -0.42 0.00 0.00 29.97 29.57 3hmg h ARG 170 CO 0.01 1.07 0.77 1.19 -1.51 0.00 0.00 179.97 181.50 3hmg n PHE 171 N -4.19 2.90 -2.19 2.20 3.72 -0.44 -4.93 117.46 114.53 3hmg n PHE 171 Ca -0.29 -2.70 -0.41 0.00 -0.05 0.00 0.00 57.45 54.00 3hmg n PHE 171 Cb 0.77 -1.30 -0.03 0.00 -0.94 0.00 0.00 39.48 37.98 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 -3.39 4.39 -0.22 -1.08 -0.44 -1.18 -5.02 119.66 112.72 3hmg s GLN 172 Ca 0.58 2.10 0.00 0.00 -2.50 0.00 0.00 55.36 55.54 3hmg s GLN 172 Cb 0.46 -3.15 0.03 0.00 -1.64 0.00 0.00 33.01 28.70 3hmg s GLN 172 CO 0.00 -0.22 -0.13 0.42 0.50 0.00 0.00 175.29 175.87 3hmg s ILE 173 N -0.32 2.44 -0.30 -2.34 1.01 -1.26 -5.05 121.20 115.38 3hmg s ILE 173 Ca 0.54 -1.04 -0.17 0.00 0.00 0.00 0.00 60.65 59.98 3hmg s ILE 173 Cb -0.38 -2.17 0.21 0.00 0.01 0.00 0.00 42.46 40.13 3hmg s ILE 173 CO 0.43 0.33 1.27 -0.75 0.00 0.00 0.00 174.94 176.22 3hmg s LYS 174 N 1.29 0.04 0.00 2.79 2.47 -1.26 -5.28 119.74 119.78 3hmg s LYS 174 Ca 0.01 0.07 0.00 0.00 -1.56 0.00 0.00 55.97 54.49 3hmg s LYS 174 Cb -0.15 0.02 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 0.00 175.35 176.05