#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huh s ILE 21 N 0.00 5.33 -0.18 1.39 -1.09 -1.26 -5.00 121.20 120.40 3huh s ILE 21 Ca 0.00 0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 3huh s ILE 21 Cb 0.00 -3.56 -0.22 0.00 -1.58 0.00 0.00 42.46 37.10 3huh s ILE 21 CO 0.00 0.34 0.15 -0.67 -1.23 0.00 0.00 174.94 173.53 3huh n ASP 22 N 4.16 2.05 -3.68 3.58 2.03 -1.26 -5.08 116.55 118.35 3huh n ASP 22 Ca -0.13 0.15 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 3huh n ASP 22 Cb 0.52 -0.76 -0.01 0.00 -0.72 0.00 0.00 41.12 40.16 3huh n ASP 22 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3huh s ARG 23 N -2.52 0.82 0.04 -0.67 1.70 -1.26 -5.13 118.95 111.93 3huh s ARG 23 Ca -0.27 -0.46 -0.25 0.00 -0.47 0.00 0.00 55.73 54.28 3huh s ARG 23 Cb 0.08 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.68 3huh s ARG 23 CO 0.69 -0.38 0.75 0.42 -1.08 0.00 0.00 175.30 175.70 3huh s ILE 24 N -2.82 4.75 -0.23 4.99 1.01 -1.26 -4.96 121.20 122.68 3huh s ILE 24 Ca 0.14 1.59 -0.10 0.00 0.00 0.00 0.00 60.65 62.28 3huh s ILE 24 Cb 0.01 -4.10 -0.17 0.00 0.01 0.00 0.00 42.46 38.21 3huh s ILE 24 CO -0.00 0.37 -0.08 -0.67 0.00 0.00 0.00 174.94 174.56 3huh n ASP 25 N 2.80 1.98 -3.33 3.58 2.03 -1.26 -4.93 116.55 117.42 3huh n ASP 25 Ca -0.03 0.20 -0.06 0.00 0.52 0.00 0.00 54.79 55.42 3huh n ASP 25 Cb 0.50 -0.74 0.01 0.00 -0.72 0.00 0.00 41.12 40.17 3huh n ASP 25 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3huh s HIS 26 N -2.49 0.01 0.16 -0.67 -3.43 -1.26 -2.56 115.29 105.05 3huh s HIS 26 Ca -0.33 -0.53 -0.15 0.00 -0.80 0.00 0.00 55.06 53.25 3huh s HIS 26 Cb 0.10 0.75 0.02 0.00 -1.43 0.00 0.00 32.58 32.03 3huh s HIS 26 CO 0.59 -1.25 0.43 -0.48 -2.00 0.00 0.00 174.74 172.04 3huh s LEU 27 N -3.10 0.37 -0.16 5.38 0.05 -1.17 -5.01 118.68 115.04 3huh s LEU 27 Ca 0.16 -0.48 -0.03 0.00 0.05 0.00 0.00 54.13 53.84 3huh s LEU 27 Cb -0.04 1.86 -0.02 0.00 -2.05 0.00 0.00 46.19 45.94 3huh s LEU 27 CO 0.08 -0.94 -0.07 -0.69 -0.55 0.00 0.00 176.35 174.18 3huh s VAL 28 N -3.86 3.54 -0.18 1.48 1.01 -1.26 -0.95 120.40 120.18 3huh s VAL 28 Ca 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.52 3huh s VAL 28 Cb 0.01 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3huh s VAL 28 CO -0.06 0.49 0.01 -0.76 0.00 0.00 0.00 175.10 174.78 3huh s LEU 29 N 0.52 3.43 -0.32 3.92 1.43 -0.34 -4.98 118.68 122.35 3huh s LEU 29 Ca -0.05 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 3huh s LEU 29 Cb -0.15 -1.86 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 3huh s LEU 29 CO 0.03 0.14 0.31 -0.89 0.23 0.00 0.00 176.35 176.17 3huh s THR 30 N 0.57 5.22 0.31 5.49 2.01 -1.26 -1.04 115.64 126.95 3huh s THR 30 Ca -0.00 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.20 3huh s THR 30 Cb -0.14 -3.73 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 3huh s THR 30 CO 0.02 0.02 -0.13 0.68 -0.69 0.00 0.00 174.62 174.52 3huh s VAL 31 N 1.92 2.26 0.10 3.82 -7.23 0.45 -3.42 120.40 118.31 3huh s VAL 31 Ca 0.10 -2.27 -0.13 0.00 -1.81 0.00 0.00 61.98 57.87 3huh s VAL 31 Cb -0.16 -2.49 -0.13 0.00 0.56 0.00 0.00 36.38 34.15 3huh s VAL 31 CO 0.11 -0.29 1.34 -1.28 -0.31 0.00 0.00 175.10 174.67 3huh h SER 32 N 2.14 0.92 -2.57 4.85 0.87 -1.96 -3.39 113.55 114.42 3huh h SER 32 Ca -0.41 -0.59 -0.28 0.00 -1.23 0.00 0.00 61.79 59.29 3huh h SER 32 Cb 1.25 -0.27 -0.34 0.00 -0.44 0.00 0.00 62.40 62.60 3huh h SER 32 CO 0.66 1.34 -0.59 -0.62 -0.53 0.00 0.00 176.83 177.10 3huh s ASP 33 N -6.97 1.00 0.15 6.23 2.15 -1.26 -5.01 116.67 112.97 3huh s ASP 33 Ca -0.11 0.03 -0.18 0.00 0.43 0.00 0.00 52.55 52.72 3huh s ASP 33 Cb 0.09 0.52 0.06 0.00 -0.30 0.00 0.00 42.92 43.28 3huh s ASP 33 CO 0.89 -0.30 1.67 0.40 -0.17 0.00 0.00 175.17 177.66 3huh h ILE 34 N 6.30 0.62 -0.49 4.11 1.08 -1.95 -1.37 117.51 125.80 3huh h ILE 34 Ca -0.16 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.35 3huh h ILE 34 Cb 1.14 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.46 3huh h ILE 34 CO 0.24 0.00 0.24 0.28 -0.69 0.00 0.00 178.15 178.22 3huh h SER 35 N -0.04 0.32 -0.79 1.72 0.02 -1.99 0.24 113.55 113.04 3huh h SER 35 Ca 0.16 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 3huh h SER 35 Cb 0.28 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 3huh h SER 35 CO -0.36 0.23 0.43 0.74 -1.14 0.00 0.00 176.83 176.73 3huh h THR 36 N 0.46 1.24 -0.18 -2.27 2.02 -1.90 -0.91 112.91 111.37 3huh h THR 36 Ca 0.22 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3huh h THR 36 Cb 0.15 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3huh h THR 36 CO -0.17 0.26 0.01 0.74 0.37 0.00 0.00 175.52 176.74 3huh h THR 37 N 1.10 1.24 -0.63 3.16 2.02 -0.56 -2.55 112.91 116.68 3huh h THR 37 Ca 0.28 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.69 3huh h THR 37 Cb 0.04 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3huh h THR 37 CO -0.04 0.24 0.39 0.40 0.37 0.00 0.00 175.52 176.87 3huh h ILE 38 N 0.08 1.06 -0.47 3.11 2.04 -0.29 -1.87 117.51 121.18 3huh h ILE 38 Ca 0.05 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.72 3huh h ILE 38 Cb 0.35 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 3huh h ILE 38 CO 0.01 0.14 0.17 0.03 0.00 0.00 0.00 178.15 178.49 3huh h ARG 39 N 0.75 0.34 0.35 2.37 3.08 -1.07 -0.57 114.38 119.63 3huh h ARG 39 Ca 0.26 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3huh h ARG 39 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3huh h ARG 39 CO -0.11 0.22 -0.17 0.35 -1.07 0.00 0.00 179.97 179.19 3huh h PHE 40 N 0.35 -0.44 -0.13 3.04 3.57 -1.02 -1.72 116.94 120.60 3huh h PHE 40 Ca 0.22 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 3huh h PHE 40 Cb 0.22 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3huh h PHE 40 CO -0.16 -0.22 -0.27 1.88 -2.23 0.00 0.00 178.31 177.32 3huh h TYR 41 N -0.55 0.25 -0.05 0.41 -1.99 -1.20 0.81 116.97 114.64 3huh h TYR 41 Ca -0.05 -0.05 -0.09 0.00 2.00 0.00 0.00 58.73 60.55 3huh h TYR 41 Cb 0.41 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 39.08 3huh h TYR 41 CO -0.03 0.48 -0.30 0.93 -0.00 0.00 0.00 178.16 179.24 3huh h GLU 42 N 0.21 0.30 -0.06 4.88 5.08 -1.08 -1.05 114.58 122.86 3huh h GLU 42 Ca 0.03 -0.25 -0.23 0.00 -1.00 0.00 0.00 59.36 57.92 3huh h GLU 42 Cb 0.59 0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.90 3huh h GLU 42 CO 0.04 0.90 -0.85 0.93 -1.00 0.00 0.00 179.01 179.04 3huh h GLU 43 N -0.22 0.67 0.00 2.33 5.08 -1.27 -2.71 114.58 118.46 3huh h GLU 43 Ca -0.02 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.59 3huh h GLU 43 Cb 0.96 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 3huh h GLU 43 CO 0.06 1.25 -0.70 0.28 -1.00 0.00 0.00 179.01 178.90 3huh h VAL 44 N 0.34 0.72 0.00 3.13 2.07 -0.97 -3.39 116.25 118.14 3huh h VAL 44 Ca -0.09 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.67 3huh h VAL 44 Cb 1.50 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3huh h VAL 44 CO 0.17 0.24 -0.34 0.18 0.02 0.00 0.00 177.57 177.84 3huh n LEU 45 N -4.55 0.36 -0.16 2.57 7.99 -0.92 -4.95 117.00 117.33 3huh n LEU 45 Ca -0.18 0.18 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 3huh n LEU 45 Cb 0.46 -0.33 -0.01 0.00 -0.11 0.00 0.00 43.42 43.43 3huh n LEU 45 CO 0.17 0.07 -0.02 0.61 -1.51 0.00 0.00 177.39 176.71 3huh n GLY 46 N 1.49 0.56 3.75 -0.72 0.00 -0.56 -4.98 105.19 104.72 3huh n GLY 46 Ca 0.06 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 3huh n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3huh s PHE 47 N -2.00 2.47 -0.12 1.61 0.08 -0.51 -4.93 117.98 114.58 3huh s PHE 47 Ca 0.00 1.11 0.02 0.00 0.12 0.00 0.00 56.93 58.17 3huh s PHE 47 Cb 0.00 -3.21 0.02 0.00 -0.57 0.00 0.00 43.02 39.26 3huh s PHE 47 CO 0.00 -2.29 -0.16 -1.54 -0.10 0.00 0.00 175.22 171.13 3huh s SER 48 N -3.68 2.61 0.28 1.36 1.04 -0.87 -4.15 113.70 110.29 3huh s SER 48 Ca 0.63 -0.47 -0.29 0.00 0.48 0.00 0.00 55.95 56.30 3huh s SER 48 Cb -0.16 -1.17 -0.09 0.00 0.10 0.00 0.00 66.02 64.69 3huh s SER 48 CO 0.56 0.01 1.02 0.00 0.98 0.00 0.00 173.24 175.81 3huh s ALA 49 N 1.08 3.33 0.03 5.32 0.00 -1.26 -0.66 121.76 129.59 3huh s ALA 49 Ca -0.04 0.74 0.04 0.00 0.00 0.00 0.00 51.96 52.70 3huh s ALA 49 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3huh s ALA 49 CO -0.04 -0.00 -0.12 0.14 0.00 0.00 0.00 175.76 175.74 3huh s VAL 50 N -1.26 0.93 -0.16 0.00 -7.23 0.44 -4.94 120.40 108.19 3huh s VAL 50 Ca 0.45 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.75 3huh s VAL 50 Cb -0.28 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 35.80 3huh s VAL 50 CO 0.35 0.01 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.19 3huh s THR 51 N -0.75 3.56 0.44 5.32 2.01 -1.26 -1.68 115.64 123.27 3huh s THR 51 Ca 0.01 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.58 3huh s THR 51 Cb -0.07 -2.55 0.04 0.00 0.01 0.00 0.00 72.50 69.94 3huh s THR 51 CO 0.01 0.49 0.36 0.49 -0.69 0.00 0.00 174.62 175.28 3huh n PHE 52 N 3.70 -0.95 -0.86 4.92 3.72 0.84 -4.95 117.46 123.88 3huh n PHE 52 Ca -0.18 -1.84 -0.32 0.00 -0.05 0.00 0.00 57.45 55.06 3huh n PHE 52 Cb 0.52 -0.37 0.14 0.00 -0.94 0.00 0.00 39.48 38.84 3huh n PHE 52 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3huh n LYS 53 N -1.58 -0.20 -0.96 -1.08 4.81 -1.26 -1.87 118.16 116.01 3huh n LYS 53 Ca -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3huh n LYS 53 Cb 0.50 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3huh n LYS 53 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3huh n GLN 54 N -3.14 -0.78 -1.89 1.64 1.13 -1.26 -2.38 117.38 110.69 3huh n GLN 54 Ca 0.11 0.20 -0.15 0.00 -1.94 0.00 0.00 57.00 55.22 3huh n GLN 54 Cb 0.52 -3.86 -0.03 0.00 0.11 0.00 0.00 30.24 26.97 3huh n GLN 54 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3huh n ASN 55 N -0.39 -4.60 -4.77 1.08 4.05 -0.78 -4.97 115.26 104.86 3huh n ASN 55 Ca 0.00 0.16 -0.37 0.00 0.45 0.00 0.00 54.58 54.81 3huh n ASN 55 Cb 0.20 -3.59 -0.02 0.00 1.23 0.00 0.00 39.78 37.59 3huh n ASN 55 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3huh s ARG 56 N -4.06 4.01 0.11 1.20 0.52 -1.00 -4.79 118.95 114.94 3huh s ARG 56 Ca 0.00 1.71 0.10 0.00 -0.52 0.00 0.00 55.73 57.02 3huh s ARG 56 Cb 0.00 -2.56 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 3huh s ARG 56 CO 0.00 -0.32 -0.23 0.15 0.02 0.00 0.00 175.30 174.92 3huh s LYS 57 N -2.47 1.63 0.09 3.54 -0.14 -1.26 -0.11 119.74 121.01 3huh s LYS 57 Ca 0.59 -1.24 -0.12 0.00 -1.36 0.00 0.00 55.97 53.84 3huh s LYS 57 Cb -0.27 -2.01 0.02 0.00 -1.68 0.00 0.00 37.83 33.88 3huh s LYS 57 CO 0.34 0.47 0.29 0.00 -0.76 0.00 0.00 175.35 175.69 3huh s ALA 58 N -1.07 -0.58 -0.18 5.17 0.00 -0.68 -1.58 121.76 122.85 3huh s ALA 58 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 3huh s ALA 58 Cb -0.10 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.50 3huh s ALA 58 CO 0.07 -0.52 -0.09 -0.51 0.00 0.00 0.00 175.76 174.71 3huh s LEU 59 N -2.59 2.75 0.01 0.00 1.43 0.05 -0.42 118.68 119.91 3huh s LEU 59 Ca 0.01 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3huh s LEU 59 Cb 0.02 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 3huh s LEU 59 CO -0.09 0.06 0.05 -0.63 0.23 0.00 0.00 176.35 175.97 3huh s ILE 60 N 0.99 4.50 -0.17 -0.59 1.01 0.16 -0.55 121.20 126.55 3huh s ILE 60 Ca -0.01 -0.52 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 3huh s ILE 60 Cb -0.15 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.35 3huh s ILE 60 CO -0.01 0.33 0.78 0.72 0.00 0.00 0.00 174.94 176.77 3huh s PHE 61 N -1.18 -0.64 0.00 3.97 -0.12 -1.07 -2.06 117.98 116.88 3huh s PHE 61 Ca 0.22 1.34 0.00 0.00 -0.05 0.00 0.00 56.93 58.44 3huh s PHE 61 Cb -0.12 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.63 3huh s PHE 61 CO 0.13 -0.44 0.00 0.41 -0.05 0.00 0.00 175.22 175.27 3huh n GLY 62 N 1.67 2.53 1.67 1.99 0.00 -1.26 -1.10 105.19 110.69 3huh n GLY 62 Ca -0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.58 3huh n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huh n ALA 63 N 7.89 4.98 -2.37 4.61 0.00 -1.26 -4.99 120.51 129.38 3huh n ALA 63 Ca 0.00 -3.31 -0.22 0.00 0.00 0.00 0.00 53.44 49.91 3huh n ALA 63 Cb 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 19.45 18.45 3huh n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3huh s GLN 64 N -3.43 1.86 0.12 0.00 -0.21 -0.26 -4.96 119.66 112.79 3huh s GLN 64 Ca 0.51 -2.11 -0.24 0.00 0.02 0.00 0.00 55.36 53.54 3huh s GLN 64 Cb 0.44 0.03 0.07 0.00 1.00 0.00 0.00 33.01 34.55 3huh s GLN 64 CO 0.02 -0.62 0.65 -1.59 -2.12 0.00 0.00 175.29 171.62 3huh s LYS 65 N -3.49 1.20 -0.24 2.91 -2.85 -1.06 -2.61 119.74 113.60 3huh s LYS 65 Ca 0.35 -0.40 0.02 0.00 -1.00 0.00 0.00 55.97 54.93 3huh s LYS 65 Cb 0.02 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 3huh s LYS 65 CO 0.24 -0.52 -0.12 0.42 0.10 0.00 0.00 175.35 175.47 3huh s ILE 66 N -3.51 2.29 0.28 3.79 1.01 0.28 -3.04 121.20 122.30 3huh s ILE 66 Ca 0.01 -1.37 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 3huh s ILE 66 Cb -0.01 -2.23 -0.09 0.00 0.01 0.00 0.00 42.46 40.14 3huh s ILE 66 CO -0.11 0.14 0.95 0.20 0.00 0.00 0.00 174.94 176.11 3huh s ASN 67 N 1.19 7.50 -0.11 3.58 0.01 -0.12 -0.77 114.94 126.21 3huh s ASN 67 Ca -0.04 1.91 -0.01 0.00 -0.71 0.00 0.00 52.86 54.01 3huh s ASN 67 Cb -0.18 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.86 3huh s ASN 67 CO -0.07 0.05 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.74 3huh s LEU 68 N -1.57 3.07 -0.14 0.60 1.43 -0.61 -1.20 118.68 120.25 3huh s LEU 68 Ca 0.45 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3huh s LEU 68 Cb -0.23 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.31 3huh s LEU 68 CO 0.29 0.24 -0.14 -1.00 0.23 0.00 0.00 176.35 175.97 3huh s HIS 69 N -0.11 2.16 -2.01 0.29 3.76 -0.21 -4.51 115.29 114.66 3huh s HIS 69 Ca 0.01 -1.19 0.26 0.00 -0.15 0.00 0.00 55.06 53.98 3huh s HIS 69 Cb -0.13 -1.58 0.66 0.00 1.11 0.00 0.00 32.58 32.63 3huh s HIS 69 CO 0.03 -0.65 1.51 0.94 -0.85 0.00 0.00 174.74 175.72 3huh n GLN 70 N 4.70 1.14 -5.00 1.40 7.27 -1.26 -0.41 117.38 125.21 3huh n GLN 70 Ca -0.17 -0.75 -0.31 0.00 0.07 0.00 0.00 57.00 55.84 3huh n GLN 70 Cb 0.50 -1.48 -0.14 0.00 2.41 0.00 0.00 30.24 31.52 3huh n GLN 70 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3huh s GLU 76 N -2.37 2.16 0.62 3.69 0.41 -1.26 -4.82 118.70 117.13 3huh s GLU 76 Ca 0.26 -0.90 -0.08 0.00 -0.41 0.00 0.00 54.97 53.84 3huh s GLU 76 Cb 0.19 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 3huh s GLU 76 CO 0.48 0.57 0.97 -1.25 -0.49 0.00 0.00 175.26 175.54 3huh s PRO 77 N -0.90 3.02 0.37 0.39 0.04 -1.26 -5.20 135.00 131.45 3huh s PRO 77 Ca 0.12 0.24 -0.03 0.00 0.04 0.00 0.00 61.00 61.37 3huh s PRO 77 Cb -0.10 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 32.27 3huh s PRO 77 CO 0.01 -0.75 0.53 0.36 0.04 0.00 0.00 177.00 177.19 3huh n LYS 78 N -2.71 0.77 -1.55 4.56 2.85 -1.26 -5.15 118.16 115.67 3huh n LYS 78 Ca 0.05 -2.86 -0.36 0.00 -1.05 0.00 0.00 58.31 54.10 3huh n LYS 78 Cb 0.57 2.81 0.09 0.00 -0.65 0.00 0.00 35.03 37.84 3huh n LYS 78 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3huh s ALA 79 N -2.77 2.21 0.46 0.58 0.00 -1.26 -4.88 121.76 116.10 3huh s ALA 79 Ca 0.29 1.07 0.12 0.00 0.00 0.00 0.00 51.96 53.44 3huh s ALA 79 Cb -0.01 -3.52 1.06 0.00 0.00 0.00 0.00 23.12 20.64 3huh s ALA 79 CO 0.21 -1.80 2.08 1.03 0.00 0.00 0.00 175.76 177.27 3huh h SER 80 N 0.07 0.18 -2.35 0.00 0.87 -2.06 -3.32 113.55 106.93 3huh h SER 80 Ca -0.49 -0.01 -0.59 0.00 -1.23 0.00 0.00 61.79 59.47 3huh h SER 80 Cb 1.32 -0.05 -0.39 0.00 -0.44 0.00 0.00 62.40 62.85 3huh h SER 80 CO 0.51 0.17 -0.95 0.54 -0.53 0.00 0.00 176.83 176.57 3huh n ARG 81 N -4.47 0.56 -1.68 2.24 1.74 -1.26 -5.10 116.66 108.68 3huh n ARG 81 Ca -0.01 -3.38 -0.44 0.00 -0.77 0.00 0.00 57.85 53.26 3huh n ARG 81 Cb 0.11 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.86 3huh n ARG 81 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3huh n PRO 82 N 2.36 2.63 -3.62 5.56 -0.02 -1.25 -4.96 135.00 135.70 3huh n PRO 82 Ca 0.27 0.96 -0.18 0.00 -2.02 0.00 0.00 63.50 62.53 3huh n PRO 82 Cb 0.47 -2.83 -0.15 0.00 -0.02 0.00 0.00 33.50 30.97 3huh n PRO 82 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3huh s THR 83 N 2.86 -0.28 0.34 3.45 2.01 -1.26 -5.08 115.64 117.68 3huh s THR 83 Ca 0.84 0.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.74 3huh s THR 83 Cb -0.54 -0.43 -0.11 0.00 0.01 0.00 0.00 72.50 71.44 3huh s THR 83 CO 0.40 0.02 1.38 -2.84 -0.69 0.00 0.00 174.62 172.89 3huh s PRO 84 N 2.30 4.27 0.00 4.92 0.02 -1.22 -2.53 135.00 142.76 3huh s PRO 84 Ca 0.04 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.40 3huh s PRO 84 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3huh s PRO 84 CO -0.08 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 3huh n GLY 85 N 0.75 0.47 0.86 0.52 0.00 -1.24 -4.91 105.19 101.65 3huh n GLY 85 Ca 0.01 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3huh n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huh n SER 86 N 0.44 2.64 -4.88 1.61 3.41 -1.05 -4.28 113.62 111.52 3huh n SER 86 Ca 0.00 -1.86 -0.33 0.00 -0.26 0.00 0.00 58.87 56.42 3huh n SER 86 Cb 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 3huh n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3huh s ALA 87 N -1.86 3.73 -0.30 7.33 0.00 -1.26 -5.01 121.76 124.39 3huh s ALA 87 Ca 0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 3huh s ALA 87 Cb 0.21 -2.24 0.11 0.00 0.00 0.00 0.00 23.12 21.20 3huh s ALA 87 CO 0.31 0.60 0.15 0.34 0.00 0.00 0.00 175.76 177.16 3huh s ASP 88 N -2.07 3.35 0.09 0.00 -1.08 -1.26 -0.51 116.67 115.19 3huh s ASP 88 Ca 0.38 -1.45 0.09 0.00 -0.52 0.00 0.00 52.55 51.04 3huh s ASP 88 Cb -0.13 -0.32 -0.03 0.00 -1.46 0.00 0.00 42.92 40.97 3huh s ASP 88 CO 0.21 -0.41 -0.23 -0.76 0.52 0.00 0.00 175.17 174.49 3huh s LEU 89 N 1.90 2.26 -0.11 -1.34 1.43 -0.29 -4.99 118.68 117.54 3huh s LEU 89 Ca 0.11 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3huh s LEU 89 Cb -0.17 -1.05 0.01 0.00 0.03 0.00 0.00 46.19 45.01 3huh s LEU 89 CO -0.29 0.14 -0.21 0.00 0.23 0.00 0.00 176.35 176.22 3huh s PHE 91 N 0.66 2.68 -0.07 0.00 0.08 0.72 -4.97 117.98 117.09 3huh s PHE 91 Ca -0.12 -0.19 -0.13 0.00 0.12 0.00 0.00 56.93 56.62 3huh s PHE 91 Cb -0.16 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 3huh s PHE 91 CO 0.03 0.16 0.31 0.42 -0.10 0.00 0.00 175.22 176.04 3huh s ILE 92 N -0.69 5.22 0.11 0.64 -1.09 -1.26 -0.89 121.20 123.23 3huh s ILE 92 Ca 0.11 0.61 0.09 0.00 -2.23 0.00 0.00 60.65 59.23 3huh s ILE 92 Cb -0.11 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3huh s ILE 92 CO 0.01 0.55 -0.24 0.28 -1.23 0.00 0.00 174.94 174.31 3huh s THR 93 N -0.72 1.96 -1.07 2.92 -1.32 0.43 -4.91 115.64 112.93 3huh s THR 93 Ca 0.20 -1.62 0.23 0.00 -1.21 0.00 0.00 61.69 59.29 3huh s THR 93 Cb -0.15 -1.75 -0.10 0.00 -1.51 0.00 0.00 72.50 69.00 3huh s THR 93 CO 0.09 0.03 1.17 -1.54 -2.21 0.00 0.00 174.62 172.15 3huh n SER 94 N 1.07 0.81 -4.75 8.08 3.41 -1.26 -4.39 113.62 116.58 3huh n SER 94 Ca -0.19 -0.67 -0.41 0.00 -0.26 0.00 0.00 58.87 57.34 3huh n SER 94 Cb 0.53 0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 65.05 3huh n SER 94 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3huh s THR 95 N -2.96 3.45 -0.06 6.66 2.01 -1.26 -4.92 115.64 118.56 3huh s THR 95 Ca 0.10 1.40 -0.37 0.00 0.31 0.00 0.00 61.69 63.14 3huh s THR 95 Cb 0.17 -3.89 -0.15 0.00 0.01 0.00 0.00 72.50 68.64 3huh s THR 95 CO 0.77 0.31 1.63 -2.65 -0.69 0.00 0.00 174.62 173.99 3huh n PRO 96 N 1.47 1.55 -0.26 4.92 -0.02 -1.26 -4.80 135.00 136.60 3huh n PRO 96 Ca 0.00 0.56 0.18 0.00 -2.02 0.00 0.00 63.50 62.22 3huh n PRO 96 Cb 0.45 -2.28 0.48 0.00 -0.02 0.00 0.00 33.50 32.12 3huh n PRO 96 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3huh h ILE 97 N 4.46 0.70 -0.00 4.25 6.09 -1.93 0.59 117.51 131.66 3huh h ILE 97 Ca -0.47 -0.16 -0.09 0.00 -1.37 0.00 0.00 64.86 62.76 3huh h ILE 97 Cb 1.30 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.76 3huh h ILE 97 CO 0.89 0.09 -0.45 0.78 -3.07 0.00 0.00 178.15 176.39 3huh h ASN 98 N 0.48 0.00 0.35 2.19 2.35 -2.00 -0.97 115.58 117.99 3huh h ASN 98 Ca 0.48 -0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.08 3huh h ASN 98 Cb 1.08 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3huh h ASN 98 CO -0.20 0.45 -0.61 0.44 -1.65 0.00 0.00 177.43 175.86 3huh h ASP 99 N 0.00 0.29 -0.25 5.81 3.32 -1.25 -2.50 116.42 121.84 3huh h ASP 99 Ca -0.00 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 3huh h ASP 99 Cb 0.80 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 3huh h ASP 99 CO 0.06 0.83 0.04 0.58 -1.72 0.00 0.00 179.24 179.03 3huh h VAL 100 N 0.19 1.23 -0.65 -1.35 2.07 -0.80 -0.93 116.25 116.00 3huh h VAL 100 Ca -0.01 -0.75 0.09 0.00 0.82 0.00 0.00 66.70 66.85 3huh h VAL 100 Cb 1.12 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 32.06 3huh h VAL 100 CO 0.10 0.24 0.28 0.58 0.02 0.00 0.00 177.57 178.79 3huh h VAL 101 N 0.22 0.81 -0.60 2.57 2.07 -1.07 -0.54 116.25 119.71 3huh h VAL 101 Ca 0.08 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 3huh h VAL 101 Cb 0.32 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3huh h VAL 101 CO 0.00 0.09 0.01 -1.28 0.02 0.00 0.00 177.57 176.41 3huh h SER 102 N 0.49 1.03 0.24 0.57 0.87 -1.22 -2.14 113.55 113.40 3huh h SER 102 Ca 0.32 -0.30 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 3huh h SER 102 Cb 0.37 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3huh h SER 102 CO -0.29 1.08 -0.40 1.05 -0.53 0.00 0.00 176.83 177.74 3huh h GLU 103 N 0.95 0.22 -0.22 2.24 4.11 -0.38 -0.76 114.58 120.73 3huh h GLU 103 Ca 0.17 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.47 3huh h GLU 103 Cb 0.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3huh h GLU 103 CO 0.03 0.59 0.03 0.82 0.07 0.00 0.00 179.01 180.55 3huh h ILE 104 N 0.18 1.23 -0.55 -1.06 2.04 -0.92 -2.33 117.51 116.11 3huh h ILE 104 Ca 0.02 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.06 3huh h ILE 104 Cb 0.80 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.17 3huh h ILE 104 CO 0.06 0.24 0.18 -0.07 0.00 0.00 0.00 178.15 178.57 3huh h LEU 105 N 0.17 0.79 -2.08 1.44 3.38 -1.18 -2.08 115.31 115.75 3huh h LEU 105 Ca 0.07 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3huh h LEU 105 Cb 0.34 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3huh h LEU 105 CO 0.01 0.78 0.00 1.56 0.09 0.00 0.00 178.44 180.87 3huh h GLN 106 N 0.76 0.00 -0.15 1.13 4.20 -1.05 -0.30 115.11 119.71 3huh h GLN 106 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3huh h GLN 106 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3huh h GLN 106 CO -0.01 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 3huh n ALA 107 N -1.99 2.51 -1.02 3.87 0.00 -0.82 -4.93 120.51 118.14 3huh n ALA 107 Ca -0.01 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.83 3huh n ALA 107 Cb 0.14 -1.05 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 3huh n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huh n GLY 108 N 1.22 0.48 3.76 0.00 0.00 -0.12 -5.02 105.19 105.51 3huh n GLY 108 Ca 0.17 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3huh n GLY 108 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3huh s ILE 109 N -1.96 4.99 0.23 -0.61 1.01 -1.00 -5.04 121.20 118.82 3huh s ILE 109 Ca 0.00 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.47 3huh s ILE 109 Cb 0.00 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 3huh s ILE 109 CO 0.00 0.42 0.95 -0.44 0.00 0.00 0.00 174.94 175.87 3huh s SER 110 N -0.12 7.61 -0.29 3.58 0.01 -1.26 -4.28 113.70 118.95 3huh s SER 110 Ca 0.29 1.95 -0.17 0.00 1.31 0.00 0.00 55.95 59.33 3huh s SER 110 Cb -0.17 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.43 3huh s SER 110 CO 0.15 0.12 0.46 -0.63 0.41 0.00 0.00 173.24 173.75 3huh s ILE 111 N -1.04 5.09 0.16 1.44 1.01 -1.26 -4.56 121.20 122.04 3huh s ILE 111 Ca 0.42 0.61 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 3huh s ILE 111 Cb -0.26 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.38 3huh s ILE 111 CO 0.32 0.02 1.52 0.58 0.00 0.00 0.00 174.94 177.39 3huh h VAL 112 N 5.46 1.27 -1.93 2.92 2.07 -0.96 -3.47 116.25 121.60 3huh h VAL 112 Ca -0.30 -1.46 0.12 0.00 0.82 0.00 0.00 66.70 65.89 3huh h VAL 112 Cb 1.14 1.24 -0.18 0.00 -1.52 0.00 0.00 31.29 31.97 3huh h VAL 112 CO 0.71 0.50 0.56 -0.70 0.02 0.00 0.00 177.57 178.65 3huh s GLU 113 N -4.54 0.67 0.00 1.57 2.12 -1.23 -5.00 118.70 112.29 3huh s GLU 113 Ca -0.11 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3huh s GLU 113 Cb 0.12 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3huh s GLU 113 CO 0.87 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 3huh n GLY 114 N 0.07 1.13 3.74 -1.50 0.00 -1.26 -0.84 105.19 106.53 3huh n GLY 114 Ca -0.08 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 3huh n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3huh s PRO 115 N -1.56 4.28 0.01 1.61 0.04 -1.26 -4.93 135.00 133.19 3huh s PRO 115 Ca 0.00 2.27 -0.00 0.00 0.04 0.00 0.00 61.00 63.31 3huh s PRO 115 Cb 0.00 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.40 3huh s PRO 115 CO 0.00 -0.41 -0.02 0.08 0.04 0.00 0.00 177.00 176.70 3huh s VAL 116 N 0.06 0.07 0.21 -0.36 1.01 -0.06 -4.91 120.40 116.41 3huh s VAL 116 Ca 0.59 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 3huh s VAL 116 Cb -0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 3huh s VAL 116 CO 0.42 -0.32 1.32 -1.61 0.00 0.00 0.00 175.10 174.91 3huh s GLU 117 N -0.93 4.38 0.14 2.72 8.01 -1.26 -0.78 118.70 130.97 3huh s GLU 117 Ca -0.10 2.09 -0.04 0.00 0.01 0.00 0.00 54.97 56.93 3huh s GLU 117 Cb -0.06 -3.18 -0.03 0.00 -4.31 0.00 0.00 34.13 26.55 3huh s GLU 117 CO -0.01 -0.26 0.13 1.03 0.01 0.00 0.00 175.26 176.16 3huh s ARG 118 N -0.27 0.99 -0.43 1.61 1.81 0.06 -4.91 118.95 117.81 3huh s ARG 118 Ca 0.56 -1.33 -0.16 0.00 -1.72 0.00 0.00 55.73 53.09 3huh s ARG 118 Cb -0.37 0.29 0.03 0.00 -0.45 0.00 0.00 34.95 34.45 3huh s ARG 118 CO 0.40 -0.31 0.37 0.95 -0.68 0.00 0.00 175.30 176.03 3huh s THR 119 N -4.01 5.19 0.83 0.02 -4.23 -1.26 -0.84 115.64 111.34 3huh s THR 119 Ca 0.21 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 3huh s THR 119 Cb 0.06 -4.01 0.19 0.00 1.34 0.00 0.00 72.50 70.08 3huh s THR 119 CO 0.00 -0.41 1.14 0.61 -0.54 0.00 0.00 174.62 175.42 3huh n GLY 120 N 5.16 -0.88 0.35 3.99 0.00 0.19 -4.94 105.19 109.05 3huh n GLY 120 Ca -0.10 -1.80 0.07 0.00 0.00 0.00 0.00 46.02 44.20 3huh n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huh h ALA 121 N -1.47 1.45 -0.06 4.61 0.00 -1.98 -3.11 119.26 118.69 3huh h ALA 121 Ca -0.37 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3huh h ALA 121 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3huh h ALA 121 CO 0.29 0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.92 3huh n THR 122 N -4.69 0.87 -3.68 0.00 -2.24 -1.26 -5.10 114.28 98.17 3huh n THR 122 Ca 0.18 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3huh n THR 122 Cb 0.38 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3huh n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3huh n GLY 123 N -0.23 -1.15 3.75 3.38 0.00 -1.18 -5.13 105.19 104.64 3huh n GLY 123 Ca 0.02 -1.28 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 3huh n GLY 123 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huh s GLU 124 N -2.00 4.28 0.09 1.61 2.56 -1.26 0.56 118.70 124.54 3huh s GLU 124 Ca 0.00 2.29 0.01 0.00 0.00 0.00 0.00 54.97 57.27 3huh s GLU 124 Cb 0.00 -3.09 -0.04 0.00 2.00 0.00 0.00 34.13 33.00 3huh s GLU 124 CO 0.00 -0.36 -0.06 0.96 -0.56 0.00 0.00 175.26 175.24 3huh s ILE 125 N -0.39 0.59 -0.20 -3.70 -4.36 -0.02 -4.58 121.20 108.55 3huh s ILE 125 Ca 0.56 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 59.01 3huh s ILE 125 Cb -0.41 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.63 3huh s ILE 125 CO 0.47 -0.90 -0.05 -0.32 0.24 0.00 0.00 174.94 174.38 3huh s MET 126 N -3.85 3.43 0.10 0.37 -2.45 -0.34 -0.76 119.30 115.80 3huh s MET 126 Ca 0.11 -0.61 0.09 0.00 -1.25 0.00 0.00 55.69 54.02 3huh s MET 126 Cb 0.06 -2.94 -0.04 0.00 1.25 0.00 0.00 34.83 33.16 3huh s MET 126 CO -0.06 -0.06 -0.19 -1.12 1.05 0.00 0.00 175.02 174.64 3huh s SER 127 N 1.12 3.79 -0.04 1.11 0.01 0.04 -1.66 113.70 118.07 3huh s SER 127 Ca 0.01 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.77 3huh s SER 127 Cb -0.15 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.56 3huh s SER 127 CO -0.01 0.20 -0.15 -0.51 0.41 0.00 0.00 173.24 173.19 3huh s ILE 128 N -1.07 1.24 -0.08 1.44 -1.16 -0.25 -0.89 121.20 120.43 3huh s ILE 128 Ca 0.17 -0.60 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 3huh s ILE 128 Cb -0.10 -1.08 -0.03 0.00 0.61 0.00 0.00 42.46 41.86 3huh s ILE 128 CO 0.08 0.37 -0.07 -0.31 -2.81 0.00 0.00 174.94 172.20 3huh s TYR 129 N 0.15 2.94 0.26 3.50 2.02 -0.02 -0.88 117.35 125.31 3huh s TYR 129 Ca -0.05 -0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 56.56 3huh s TYR 129 Cb -0.11 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.67 3huh s TYR 129 CO 0.02 0.24 0.29 0.96 -1.57 0.00 0.00 175.55 175.50 3huh s ILE 130 N -0.56 0.00 0.08 2.71 -4.36 -0.40 -0.22 121.20 118.45 3huh s ILE 130 Ca 0.08 -1.80 0.09 0.00 -0.26 0.00 0.00 60.65 58.76 3huh s ILE 130 Cb -0.12 -2.46 -0.03 0.00 1.25 0.00 0.00 42.46 41.10 3huh s ILE 130 CO 0.02 0.00 -0.23 -0.13 0.24 0.00 0.00 174.94 174.84 3huh s ARG 131 N -3.80 1.35 0.79 0.37 0.52 -1.26 -0.41 118.95 116.51 3huh s ARG 131 Ca 0.34 -1.13 -0.05 0.00 -0.52 0.00 0.00 55.73 54.37 3huh s ARG 131 Cb 0.03 -1.61 0.15 0.00 0.52 0.00 0.00 34.95 34.04 3huh s ARG 131 CO 0.16 0.39 1.09 0.16 0.02 0.00 0.00 175.30 177.12 3huh s ASP 132 N -1.64 4.01 0.55 0.23 -4.77 -0.83 -4.89 116.67 109.33 3huh s ASP 132 Ca 0.09 -0.16 0.33 0.00 -3.30 0.00 0.00 52.55 49.51 3huh s ASP 132 Cb -0.10 -0.13 1.50 0.00 -1.09 0.00 0.00 42.92 43.10 3huh s ASP 132 CO 0.04 -2.10 1.84 -0.65 0.70 0.00 0.00 175.17 174.99 3huh h PRO 133 N -0.85 0.00 -0.01 2.11 0.11 -1.91 -0.25 132.00 131.20 3huh h PRO 133 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3huh h PRO 133 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3huh h PRO 133 CO 0.40 0.00 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.51 3huh n ASP 134 N -4.14 1.10 0.00 -2.05 8.00 -1.26 -4.94 116.55 113.26 3huh n ASP 134 Ca 0.20 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.82 3huh n ASP 134 Cb 1.06 0.32 0.00 0.00 -0.02 0.00 0.00 41.12 42.48 3huh n ASP 134 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huh n GLY 135 N 1.41 0.63 3.77 0.44 0.00 -0.10 -3.58 105.19 107.74 3huh n GLY 135 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3huh n GLY 135 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3huh s ASN 136 N -2.76 6.01 -0.12 1.61 0.02 -1.26 -4.73 114.94 113.70 3huh s ASN 136 Ca 0.00 2.89 -0.24 0.00 -1.02 0.00 0.00 52.86 54.49 3huh s ASN 136 Cb 0.00 -2.65 -0.03 0.00 0.02 0.00 0.00 41.25 38.59 3huh s ASN 136 CO 0.00 -1.08 0.74 -0.22 0.02 0.00 0.00 177.10 176.56 3huh s LEU 137 N -2.60 4.24 -0.23 0.60 2.96 0.33 -1.97 118.68 122.01 3huh s LEU 137 Ca 0.59 1.14 -0.00 0.00 -0.22 0.00 0.00 54.13 55.64 3huh s LEU 137 Cb -0.43 -3.12 0.03 0.00 0.50 0.00 0.00 46.19 43.17 3huh s LEU 137 CO 0.56 -0.25 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.60 3huh s ILE 138 N 1.48 2.55 -0.32 6.68 -1.09 0.45 -1.14 121.20 129.81 3huh s ILE 138 Ca 0.37 -1.04 -0.10 0.00 -2.23 0.00 0.00 60.65 57.64 3huh s ILE 138 Cb -0.17 -2.25 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 3huh s ILE 138 CO 0.15 0.30 0.18 -0.70 -1.23 0.00 0.00 174.94 173.63 3huh s GLU 139 N 1.29 3.41 -0.24 2.79 2.12 0.12 -1.28 118.70 126.92 3huh s GLU 139 Ca 0.01 -0.68 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 3huh s GLU 139 Cb -0.16 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.58 3huh s GLU 139 CO -0.07 -0.41 0.07 0.42 -0.54 0.00 0.00 175.26 174.73 3huh s ILE 140 N 1.65 4.38 0.09 -3.70 1.01 -0.06 -0.20 121.20 124.37 3huh s ILE 140 Ca 0.05 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3huh s ILE 140 Cb -0.17 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 3huh s ILE 140 CO 0.08 0.36 -0.08 -0.44 0.00 0.00 0.00 174.94 174.85 3huh s SER 141 N 1.41 1.22 -0.04 3.58 0.01 -0.07 -1.08 113.70 118.72 3huh s SER 141 Ca 0.05 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.49 3huh s SER 141 Cb -0.15 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.13 3huh s SER 141 CO 0.04 -0.35 -0.16 -1.58 0.41 0.00 0.00 173.24 171.60 3huh s GLN 142 N -3.11 1.66 0.00 12.44 0.74 -0.67 -0.43 119.66 130.29 3huh s GLN 142 Ca 0.06 -0.56 0.17 0.00 0.05 0.00 0.00 55.36 55.08 3huh s GLN 142 Cb -0.00 -1.45 0.99 0.00 1.10 0.00 0.00 33.01 33.65 3huh s GLN 142 CO -0.02 0.21 1.40 0.66 -0.55 0.00 0.00 175.29 176.99