#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg0 h GLY 33 N 0.00 0.67 -3.71 -0.02 0.00 -2.08 -3.23 103.07 94.71 3hg0 h GLY 33 Ca 0.00 -0.75 -0.56 0.00 0.00 0.00 0.00 47.33 46.02 3hg0 h GLY 33 CO 0.00 0.67 -0.29 -2.01 0.00 0.00 0.00 176.54 174.91 3hg0 n ASN 34 N -3.99 5.57 -4.27 0.19 5.15 -1.26 -4.98 115.26 111.67 3hg0 n ASN 34 Ca -0.03 -3.77 -0.30 0.00 -0.60 0.00 0.00 54.58 49.88 3hg0 n ASN 34 Cb 0.58 -0.54 -0.16 0.00 -0.53 0.00 0.00 39.78 39.13 3hg0 n ASN 34 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3hg0 s VAL 35 N -4.58 1.95 -0.16 3.44 0.11 -1.22 -5.11 120.40 114.84 3hg0 s VAL 35 Ca 0.55 -1.03 -0.25 0.00 -2.93 0.00 0.00 61.98 58.31 3hg0 s VAL 35 Cb 0.44 -1.64 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 3hg0 s VAL 35 CO 0.02 0.55 0.80 -0.69 -3.33 0.00 0.00 175.10 172.46 3hg0 s VAL 36 N -0.35 4.91 0.40 2.04 1.01 -1.26 -5.03 120.40 122.13 3hg0 s VAL 36 Ca 0.03 1.59 0.08 0.00 0.00 0.00 0.00 61.98 63.67 3hg0 s VAL 36 Cb -0.12 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 3hg0 s VAL 36 CO 0.01 0.06 0.48 -1.00 0.00 0.00 0.00 175.10 174.65 3hg0 s HIS 37 N 1.95 2.81 -0.42 5.22 3.76 -1.26 -5.01 115.29 122.35 3hg0 s HIS 37 Ca 0.38 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.93 3hg0 s HIS 37 Cb -0.17 -2.23 0.68 0.00 1.11 0.00 0.00 32.58 31.97 3hg0 s HIS 37 CO 0.13 -0.24 1.88 1.63 -0.85 0.00 0.00 174.74 177.30 3hg0 n LYS 38 N -1.69 2.55 -3.66 1.40 5.02 -1.26 -4.82 118.16 115.70 3hg0 n LYS 38 Ca 0.05 -3.04 -0.13 0.00 -2.02 0.00 0.00 58.31 53.17 3hg0 n LYS 38 Cb 0.60 -2.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.35 3hg0 n LYS 38 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hg0 s THR 39 N -3.24 -0.00 0.00 -0.18 2.01 -1.26 -5.16 115.64 107.82 3hg0 s THR 39 Ca 0.56 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.56 3hg0 s THR 39 Cb 0.47 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 72.10 3hg0 s THR 39 CO 0.11 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 3hg0 n GLY 40 N 2.85 1.90 3.66 4.40 0.00 -1.26 -4.95 105.19 111.79 3hg0 n GLY 40 Ca -0.14 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.62 3hg0 n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hg0 s ASP 41 N -0.28 6.69 0.04 1.61 1.11 -1.26 -4.98 116.67 119.61 3hg0 s ASP 41 Ca 0.00 0.84 0.03 0.00 0.18 0.00 0.00 52.55 53.61 3hg0 s ASP 41 Cb 0.00 -2.35 -0.02 0.00 1.07 0.00 0.00 42.92 41.61 3hg0 s ASP 41 CO 0.00 -0.29 -0.10 -1.61 1.18 0.00 0.00 175.17 174.35 3hg0 s GLU 42 N 1.97 0.67 -0.13 8.23 2.02 -1.26 -5.14 118.70 125.07 3hg0 s GLU 42 Ca 0.29 -0.75 -0.03 0.00 0.02 0.00 0.00 54.97 54.50 3hg0 s GLU 42 Cb -0.16 -0.57 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 3hg0 s GLU 42 CO 0.10 0.13 -0.02 0.99 0.02 0.00 0.00 175.26 176.48 3hg0 s THR 43 N -1.12 4.11 -0.15 3.63 2.01 -1.26 -5.09 115.64 117.77 3hg0 s THR 43 Ca -0.04 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3hg0 s THR 43 Cb -0.09 -2.77 0.03 0.00 0.01 0.00 0.00 72.50 69.68 3hg0 s THR 43 CO 0.01 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.76 3hg0 s ILE 44 N -0.12 1.24 0.37 1.82 1.01 -1.26 -5.10 121.20 119.15 3hg0 s ILE 44 Ca 0.03 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.22 3hg0 s ILE 44 Cb -0.13 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 3hg0 s ILE 44 CO 0.02 0.30 0.45 0.00 0.00 0.00 0.00 174.94 175.71 3hg0 s ALA 45 N 1.61 4.21 0.00 9.38 0.00 -1.26 -5.03 121.76 130.67 3hg0 s ALA 45 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3hg0 s ALA 45 Cb -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.50 3hg0 s ALA 45 CO -0.09 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3hg0 n GLY 46 N -1.62 1.10 3.63 0.00 0.00 -1.26 -4.90 105.19 102.14 3hg0 n GLY 46 Ca 0.02 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3hg0 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hg0 s LYS 47 N -4.90 3.63 -0.28 1.61 2.20 -1.26 -4.98 119.74 115.76 3hg0 s LYS 47 Ca 0.00 2.03 -0.10 0.00 -0.36 0.00 0.00 55.97 57.54 3hg0 s LYS 47 Cb 0.00 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 3hg0 s LYS 47 CO 0.00 -1.51 0.16 0.15 -0.36 0.00 0.00 175.35 173.79 3hg0 s LYS 48 N 5.25 3.73 -0.41 4.03 -0.14 -1.26 -5.07 119.74 125.88 3hg0 s LYS 48 Ca 0.86 -0.45 -0.13 0.00 -1.36 0.00 0.00 55.97 54.89 3hg0 s LYS 48 Cb -0.32 -3.58 0.04 0.00 -1.68 0.00 0.00 37.83 32.29 3hg0 s LYS 48 CO 0.35 -0.25 0.27 0.99 -0.76 0.00 0.00 175.35 175.95 3hg0 s THR 49 N 1.70 4.89 -0.50 2.17 2.01 -1.26 -5.05 115.64 119.60 3hg0 s THR 49 Ca 0.06 -0.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.94 3hg0 s THR 49 Cb -0.16 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.60 3hg0 s THR 49 CO 0.08 -0.34 0.96 -0.36 -0.69 0.00 0.00 174.62 174.27 3hg0 s PHE 50 N 1.60 2.85 0.10 4.92 0.40 -1.26 -4.90 117.98 121.69 3hg0 s PHE 50 Ca 0.03 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.67 3hg0 s PHE 50 Cb -0.20 -4.07 -0.23 0.00 0.51 0.00 0.00 43.02 39.03 3hg0 s PHE 50 CO 0.08 -1.23 1.21 1.79 0.70 0.00 0.00 175.22 177.76 3hg0 h THR 51 N 6.07 1.62 0.00 0.64 1.35 -2.07 -3.46 112.91 117.07 3hg0 h THR 51 Ca -0.25 -3.30 0.00 0.00 -0.55 0.00 0.00 66.41 62.31 3hg0 h THR 51 Cb 1.07 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 3hg0 h THR 51 CO 1.06 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 177.88 3hg0 n GLY 52 N 1.41 0.83 3.26 5.82 0.00 -1.26 -5.07 105.19 110.18 3hg0 n GLY 52 Ca -0.03 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 3hg0 n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hg0 s ASN 53 N -1.01 3.23 -0.17 1.61 0.01 -1.26 -5.11 114.94 112.25 3hg0 s ASN 53 Ca 0.00 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 3hg0 s ASN 53 Cb 0.00 -1.27 -0.03 0.00 0.41 0.00 0.00 41.25 40.36 3hg0 s ASN 53 CO 0.00 0.19 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.06 3hg0 s VAL 54 N 0.18 3.90 -0.17 1.60 1.01 -1.26 -5.08 120.40 120.58 3hg0 s VAL 54 Ca -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hg0 s VAL 54 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 3hg0 s VAL 54 CO 0.07 0.48 -0.09 -0.70 0.00 0.00 0.00 175.10 174.86 3hg0 s GLU 55 N 0.50 3.39 -0.28 2.72 2.12 -1.26 -5.09 118.70 120.80 3hg0 s GLU 55 Ca -0.03 -0.65 -0.02 0.00 0.36 0.00 0.00 54.97 54.63 3hg0 s GLU 55 Cb -0.14 -2.81 0.04 0.00 0.26 0.00 0.00 34.13 31.47 3hg0 s GLU 55 CO 0.03 0.02 -0.02 0.08 -0.54 0.00 0.00 175.26 174.83 3hg0 s VAL 56 N 0.87 3.04 -0.13 3.70 1.01 -1.26 -5.00 120.40 122.63 3hg0 s VAL 56 Ca -0.02 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3hg0 s VAL 56 Cb -0.15 -2.65 -0.25 0.00 0.00 0.00 0.00 36.38 33.33 3hg0 s VAL 56 CO 0.01 0.03 0.32 0.59 0.00 0.00 0.00 175.10 176.04 3hg0 n ASN 57 N 4.66 2.08 -1.87 3.32 5.03 -1.26 -4.83 115.26 122.40 3hg0 n ASN 57 Ca -0.15 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.49 3hg0 n ASN 57 Cb 0.45 -0.80 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 3hg0 n ASN 57 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hg0 n GLY 58 N 2.01 -1.64 3.86 7.41 0.00 -1.26 -5.05 105.19 110.52 3hg0 n GLY 58 Ca -0.33 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.36 3hg0 n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hg0 s SER 59 N -1.60 5.63 -0.24 1.61 1.04 -1.26 -5.10 113.70 113.78 3hg0 s SER 59 Ca 0.00 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3hg0 s SER 59 Cb 0.00 -1.39 0.07 0.00 0.10 0.00 0.00 66.02 64.79 3hg0 s SER 59 CO 0.00 -0.11 -0.01 -0.22 0.98 0.00 0.00 173.24 173.88 3hg0 s LEU 60 N -3.90 2.39 -0.19 2.42 2.96 -1.26 -5.08 118.68 116.02 3hg0 s LEU 60 Ca 0.35 -1.23 -0.12 0.00 -0.22 0.00 0.00 54.13 52.92 3hg0 s LEU 60 Cb -0.08 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 3hg0 s LEU 60 CO 0.26 -0.28 0.20 -0.89 -1.32 0.00 0.00 176.35 174.32 3hg0 s THR 61 N 1.48 5.36 0.35 3.68 2.01 -1.26 -5.09 115.64 122.18 3hg0 s THR 61 Ca -0.02 0.33 0.09 0.00 0.31 0.00 0.00 61.69 62.40 3hg0 s THR 61 Cb -0.18 -3.54 -0.06 0.00 0.01 0.00 0.00 72.50 68.73 3hg0 s THR 61 CO -0.09 0.41 0.02 -0.76 -0.69 0.00 0.00 174.62 173.51 3hg0 s LEU 62 N 0.48 2.96 0.35 4.42 1.43 -1.26 -5.10 118.68 121.97 3hg0 s LEU 62 Ca 0.11 -1.05 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 3hg0 s LEU 62 Cb -0.12 -1.29 -0.11 0.00 0.03 0.00 0.00 46.19 44.70 3hg0 s LEU 62 CO 0.01 -0.28 1.49 -2.84 0.23 0.00 0.00 176.35 174.95 3hg0 s PRO 63 N -3.72 4.14 0.07 1.29 0.02 -1.26 -4.64 135.00 130.90 3hg0 s PRO 63 Ca 0.35 2.53 0.04 0.00 0.02 0.00 0.00 61.00 63.94 3hg0 s PRO 63 Cb 0.01 -2.99 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 3hg0 s PRO 63 CO 0.19 -0.51 -0.13 0.99 -0.33 0.00 0.00 177.00 177.21 3hg0 s THR 64 N -0.86 1.00 -0.12 0.99 2.01 -1.26 -1.78 115.64 115.62 3hg0 s THR 64 Ca 0.55 -1.33 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 3hg0 s THR 64 Cb -0.46 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.06 3hg0 s THR 64 CO 0.58 -0.30 0.55 -0.75 -0.69 0.00 0.00 174.62 174.01 3hg0 s LYS 65 N -1.88 0.79 0.07 4.92 2.20 -0.98 -4.98 119.74 119.87 3hg0 s LYS 65 Ca -0.02 0.42 0.09 0.00 -0.36 0.00 0.00 55.97 56.11 3hg0 s LYS 65 Cb -0.09 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 3hg0 s LYS 65 CO 0.02 -0.18 -0.24 -1.12 -0.36 0.00 0.00 175.35 173.47 3hg0 s SER 66 N -0.50 3.42 0.02 1.43 0.01 -1.26 -0.52 113.70 116.30 3hg0 s SER 66 Ca -0.06 -0.59 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 3hg0 s SER 66 Cb -0.03 -0.37 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 3hg0 s SER 66 CO 0.04 0.23 0.03 0.86 0.41 0.00 0.00 173.24 174.81 3hg0 s TRP 67 N -0.93 0.19 -0.14 2.43 -0.00 -0.59 -4.99 118.94 114.91 3hg0 s TRP 67 Ca 0.14 -0.41 -0.08 0.00 -0.00 0.00 0.00 56.10 55.74 3hg0 s TRP 67 Cb -0.10 -0.15 0.05 0.00 -0.00 0.00 0.00 33.47 33.27 3hg0 s TRP 67 CO 0.05 -0.23 0.34 0.45 -0.00 0.00 0.00 176.95 177.56 3hg0 s SER 68 N -1.49 -0.41 0.23 5.86 0.15 -1.26 -0.10 113.70 116.68 3hg0 s SER 68 Ca -0.15 0.74 -0.21 0.00 0.70 0.00 0.00 55.95 57.03 3hg0 s SER 68 Cb -0.09 0.64 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 3hg0 s SER 68 CO -0.00 -0.17 0.66 -0.83 1.20 0.00 0.00 173.24 174.09 3hg0 s GLY 69 N 1.20 -0.25 -0.40 9.45 0.00 -0.68 -5.00 107.32 111.64 3hg0 s GLY 69 Ca -0.08 -0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.35 3hg0 s GLY 69 CO -0.10 -0.03 0.78 1.85 0.00 0.00 0.00 173.10 175.60 3hg0 s GLU 70 N -3.86 3.59 0.17 2.90 2.12 -1.26 -0.76 118.70 121.60 3hg0 s GLU 70 Ca 0.08 0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.41 3hg0 s GLU 70 Cb -0.04 -3.87 0.05 0.00 0.26 0.00 0.00 34.13 30.53 3hg0 s GLU 70 CO -0.00 -0.97 1.64 -0.07 -0.54 0.00 0.00 175.26 175.32 3hg0 h LEU 71 N 9.91 0.93 0.00 2.70 3.38 -1.16 -2.70 115.31 128.37 3hg0 h LEU 71 Ca -0.25 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3hg0 h LEU 71 Cb 1.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hg0 h LEU 71 CO 0.93 0.98 0.00 0.61 0.09 0.00 0.00 178.44 181.05 3hg0 n GLY 72 N -0.49 3.14 2.67 0.83 0.00 -1.25 -0.09 105.19 110.01 3hg0 n GLY 72 Ca 0.02 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 3hg0 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 73 N -0.91 1.48 0.96 -0.02 0.00 -1.26 -1.04 105.19 104.40 3hg0 n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hg0 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 74 N -0.05 0.70 3.72 -0.02 0.00 -1.26 -0.89 105.19 107.39 3hg0 n GLY 74 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3hg0 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hg0 s ILE 75 N -2.60 5.14 -0.14 -0.61 1.01 -0.21 -2.13 121.20 121.67 3hg0 s ILE 75 Ca 0.00 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 3hg0 s ILE 75 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 3hg0 s ILE 75 CO 0.00 0.30 -0.11 -0.63 0.00 0.00 0.00 174.94 174.49 3hg0 s ILE 76 N 0.71 3.22 -0.18 2.92 1.01 0.12 -0.75 121.20 128.26 3hg0 s ILE 76 Ca 0.30 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.33 3hg0 s ILE 76 Cb -0.16 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 3hg0 s ILE 76 CO 0.13 0.52 -0.09 -0.22 0.00 0.00 0.00 174.94 175.27 3hg0 s LEU 77 N 0.35 2.74 -0.17 2.97 2.96 0.06 0.34 118.68 127.93 3hg0 s LEU 77 Ca -0.10 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3hg0 s LEU 77 Cb -0.16 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3hg0 s LEU 77 CO 0.05 0.05 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.63 3hg0 s SER 78 N 1.02 4.37 0.16 3.68 0.01 -0.13 -1.68 113.70 121.13 3hg0 s SER 78 Ca -0.01 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.07 3hg0 s SER 78 Cb -0.15 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3hg0 s SER 78 CO -0.01 0.10 -0.21 -0.76 0.41 0.00 0.00 173.24 172.77 3hg0 s LEU 79 N 0.77 2.57 -0.17 2.44 1.43 0.86 -0.60 118.68 125.98 3hg0 s LEU 79 Ca -0.03 -0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 52.30 3hg0 s LEU 79 Cb -0.15 -1.35 0.08 0.00 0.03 0.00 0.00 46.19 44.81 3hg0 s LEU 79 CO 0.02 0.14 0.28 -0.60 0.23 0.00 0.00 176.35 176.41 3hg0 s ARG 80 N -2.47 0.19 -0.05 1.70 3.52 0.08 -1.54 118.95 120.38 3hg0 s ARG 80 Ca 0.20 0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 56.20 3hg0 s ARG 80 Cb -0.09 -0.36 -0.05 0.00 -1.56 0.00 0.00 34.95 32.89 3hg0 s ARG 80 CO 0.10 -0.42 0.54 0.21 -0.81 0.00 0.00 175.30 174.92 3hg0 s LYS 81 N 2.42 4.29 -0.16 5.12 2.20 0.32 -0.41 119.74 133.53 3hg0 s LYS 81 Ca 0.04 0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 56.25 3hg0 s LYS 81 Cb -0.13 -3.37 0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3hg0 s LYS 81 CO -0.11 0.31 -0.01 0.15 -0.36 0.00 0.00 175.35 175.33 3hg0 s LYS 82 N 0.07 1.04 8.00 4.03 1.02 0.23 -2.32 119.74 131.81 3hg0 s LYS 82 Ca 0.29 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3hg0 s LYS 82 Cb -0.17 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.24 3hg0 s LYS 82 CO 0.15 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 3hg0 n GLY 83 N 4.97 4.21 1.64 -3.33 0.00 -0.73 -1.56 105.19 110.39 3hg0 n GLY 83 Ca -0.10 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.09 3hg0 n GLY 83 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hg0 n THR 84 N 0.00 2.61 -5.08 2.61 -2.24 -1.26 -4.90 114.28 106.01 3hg0 n THR 84 Ca 0.00 -1.51 -0.29 0.00 -2.27 0.00 0.00 64.05 59.98 3hg0 n THR 84 Cb 0.00 -0.25 -0.16 0.00 -2.10 0.00 0.00 70.33 67.82 3hg0 n THR 84 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hg0 s THR 85 N -2.73 1.80 -0.25 4.28 2.01 -0.60 -0.95 115.64 119.19 3hg0 s THR 85 Ca 0.52 -0.92 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 3hg0 s THR 85 Cb 0.39 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 3hg0 s THR 85 CO 0.15 0.51 0.14 -0.69 -0.69 0.00 0.00 174.62 174.03 3hg0 s VAL 86 N 0.00 4.99 -0.14 3.82 1.01 -0.06 -0.60 120.40 129.42 3hg0 s VAL 86 Ca -0.06 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 3hg0 s VAL 86 Cb -0.14 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3hg0 s VAL 86 CO 0.04 0.31 0.87 -1.61 0.00 0.00 0.00 175.10 174.71 3hg0 s GLU 87 N 1.45 4.35 0.30 2.72 2.02 0.45 -1.01 118.70 129.00 3hg0 s GLU 87 Ca 0.06 1.12 0.10 0.00 0.02 0.00 0.00 54.97 56.27 3hg0 s GLU 87 Cb -0.15 -3.55 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 3hg0 s GLU 87 CO 0.07 -0.27 -0.07 1.52 0.02 0.00 0.00 175.26 176.53 3hg0 s TYR 88 N 1.93 2.49 -0.19 1.61 1.13 0.07 -0.74 117.35 123.63 3hg0 s TYR 88 Ca 0.41 -0.36 -0.07 0.00 -1.41 0.00 0.00 57.07 55.65 3hg0 s TYR 88 Cb -0.17 -1.25 0.09 0.00 -1.10 0.00 0.00 41.96 39.52 3hg0 s TYR 88 CO 0.15 0.60 0.41 0.45 -2.51 0.00 0.00 175.55 174.65 3hg0 s SER 89 N -3.63 -0.24 -0.07 -0.18 0.15 0.23 -2.49 113.70 107.47 3hg0 s SER 89 Ca 0.32 0.98 -0.16 0.00 0.70 0.00 0.00 55.95 57.79 3hg0 s SER 89 Cb -0.03 1.31 -0.05 0.00 -1.71 0.00 0.00 66.02 65.54 3hg0 s SER 89 CO 0.18 -0.23 0.41 0.27 1.20 0.00 0.00 173.24 175.06 3hg0 s ILE 90 N 2.57 5.14 0.00 6.45 -5.25 -0.23 -0.96 121.20 128.92 3hg0 s ILE 90 Ca -0.02 0.82 0.00 0.00 -0.99 0.00 0.00 60.65 60.46 3hg0 s ILE 90 Cb -0.12 -3.73 0.00 0.00 2.95 0.00 0.00 42.46 41.56 3hg0 s ILE 90 CO -0.13 0.46 0.00 0.61 -1.79 0.00 0.00 174.94 174.09 3hg0 n GLY 91 N 2.61 4.55 4.95 6.27 0.00 0.15 -3.64 105.19 120.08 3hg0 n GLY 91 Ca -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3hg0 n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 92 N 0.00 -1.82 3.38 -0.02 0.00 -1.26 -0.70 105.19 104.76 3hg0 n GLY 92 Ca 0.00 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.36 3hg0 n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hg0 s GLU 93 N 0.00 0.46 0.21 1.61 2.56 -0.90 -4.13 118.70 118.50 3hg0 s GLU 93 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 54.97 55.63 3hg0 s GLU 93 Cb 0.00 0.11 -0.10 0.00 2.00 0.00 0.00 34.13 36.15 3hg0 s GLU 93 CO 0.00 -0.17 1.44 0.42 -0.56 0.00 0.00 175.26 176.39 3hg0 s ILE 94 N 1.72 2.81 -0.03 -3.70 1.01 0.58 -4.37 121.20 119.23 3hg0 s ILE 94 Ca -0.08 0.65 0.04 0.00 0.00 0.00 0.00 60.65 61.26 3hg0 s ILE 94 Cb -0.08 -3.41 0.07 0.00 0.01 0.00 0.00 42.46 39.04 3hg0 s ILE 94 CO -0.15 0.09 0.90 -1.54 0.00 0.00 0.00 174.94 174.23 3hg0 n SER 95 N 2.90 1.00 -3.53 3.58 3.41 -0.07 -4.23 113.62 116.68 3hg0 n SER 95 Ca 0.09 -1.97 -0.01 0.00 -0.26 0.00 0.00 58.87 56.72 3hg0 n SER 95 Cb 0.40 -0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3hg0 n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hg0 s SER 96 N -1.15 -0.01 0.03 4.04 1.04 -1.26 -4.96 113.70 111.44 3hg0 s SER 96 Ca 0.07 -0.49 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 3hg0 s SER 96 Cb 0.06 0.38 -0.07 0.00 0.10 0.00 0.00 66.02 66.49 3hg0 s SER 96 CO 0.01 -0.75 1.56 -0.55 0.98 0.00 0.00 173.24 174.50 3hg0 s SER 97 N -3.47 6.70 -0.29 7.02 0.15 -1.26 -4.27 113.70 118.27 3hg0 s SER 97 Ca 0.23 2.32 0.01 0.00 0.70 0.00 0.00 55.95 59.20 3hg0 s SER 97 Cb -0.01 -2.56 0.06 0.00 -1.71 0.00 0.00 66.02 61.80 3hg0 s SER 97 CO 0.03 -0.83 -0.03 -0.63 1.20 0.00 0.00 173.24 172.97 3hg0 s ILE 98 N 2.76 2.61 0.54 6.45 1.01 0.07 -4.97 121.20 129.67 3hg0 s ILE 98 Ca 0.70 -1.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 3hg0 s ILE 98 Cb -0.36 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.50 3hg0 s ILE 98 CO 0.30 -0.14 1.22 -0.76 0.00 0.00 0.00 174.94 175.56 3hg0 s LEU 99 N 1.16 3.82 0.37 2.97 1.43 -1.26 -2.19 118.68 124.98 3hg0 s LEU 99 Ca -0.05 2.43 -0.26 0.00 -1.03 0.00 0.00 54.13 55.22 3hg0 s LEU 99 Cb -0.20 -4.42 -0.12 0.00 0.03 0.00 0.00 46.19 41.49 3hg0 s LEU 99 CO -0.03 -1.35 1.07 0.00 0.23 0.00 0.00 176.35 176.27 3hg0 n ALA 100 N -1.10 0.35 -2.29 4.21 0.00 -1.26 -2.22 120.51 118.19 3hg0 n ALA 100 Ca 0.11 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.68 3hg0 n ALA 100 Cb 0.48 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 3hg0 n ALA 100 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hg0 n ASN 101 N 0.72 -4.84 -4.90 0.00 3.02 -0.06 -4.88 115.26 104.32 3hg0 n ASN 101 Ca 0.08 0.13 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 3hg0 n ASN 101 Cb 0.37 -4.11 -0.04 0.00 -0.61 0.00 0.00 39.78 35.39 3hg0 n ASN 101 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hg0 s SER 102 N -2.09 6.46 0.18 6.41 1.04 -0.94 -4.77 113.70 119.99 3hg0 s SER 102 Ca 0.00 0.53 -0.30 0.00 0.48 0.00 0.00 55.95 56.66 3hg0 s SER 102 Cb 0.00 -2.06 -0.08 0.00 0.10 0.00 0.00 66.02 63.98 3hg0 s SER 102 CO 0.00 0.06 1.17 0.20 0.98 0.00 0.00 173.24 175.65 3hg0 s ASN 103 N -2.49 7.13 -0.43 7.02 0.01 -1.26 -1.18 114.94 123.74 3hg0 s ASN 103 Ca 0.40 2.19 -0.26 0.00 -0.71 0.00 0.00 52.86 54.48 3hg0 s ASN 103 Cb -0.12 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 38.95 3hg0 s ASN 103 CO 0.25 -0.33 0.94 -0.76 -1.51 0.00 0.00 177.10 175.69 3hg0 s LEU 104 N -0.28 3.98 -0.26 0.60 1.43 -0.44 -4.93 118.68 118.79 3hg0 s LEU 104 Ca 0.52 0.32 0.10 0.00 -1.03 0.00 0.00 54.13 54.04 3hg0 s LEU 104 Cb -0.32 -3.24 0.45 0.00 0.03 0.00 0.00 46.19 43.11 3hg0 s LEU 104 CO 0.36 -0.99 1.19 1.33 0.23 0.00 0.00 176.35 178.48 3hg0 n VAL 105 N 6.27 2.26 -0.05 -1.59 0.24 -1.19 -4.37 118.33 119.90 3hg0 n VAL 105 Ca 0.07 -3.74 -0.03 0.00 -2.04 0.00 0.00 64.34 58.60 3hg0 n VAL 105 Cb 0.48 -0.63 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 3hg0 n VAL 105 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3hg0 h ASN 106 N 1.84 0.00 -4.27 -1.34 -1.24 -0.74 -3.48 115.58 106.35 3hg0 h ASN 106 Ca 0.21 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.74 3hg0 h ASN 106 Cb 1.38 0.00 -0.27 0.00 0.73 0.00 0.00 38.32 40.16 3hg0 h ASN 106 CO 0.48 0.55 -0.81 -0.13 -1.29 0.00 0.00 177.43 176.23 3hg0 s ARG 107 N -1.84 1.09 0.13 6.67 0.52 -0.97 -4.98 118.95 119.58 3hg0 s ARG 107 Ca -0.08 -0.67 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 3hg0 s ARG 107 Cb 0.01 -1.09 -0.04 0.00 0.52 0.00 0.00 34.95 34.36 3hg0 s ARG 107 CO 0.12 0.28 0.22 -1.54 0.02 0.00 0.00 175.30 174.41 3hg0 s SER 108 N -0.78 6.11 -0.05 0.23 1.04 -1.26 -4.48 113.70 114.51 3hg0 s SER 108 Ca 0.04 0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.30 3hg0 s SER 108 Cb -0.07 -1.79 -0.03 0.00 0.10 0.00 0.00 66.02 64.24 3hg0 s SER 108 CO 0.00 0.09 0.92 -0.69 0.98 0.00 0.00 173.24 174.55 3hg0 s VAL 109 N -1.67 4.89 0.61 5.02 1.01 0.03 -4.98 120.40 125.30 3hg0 s VAL 109 Ca 0.33 1.91 -0.19 0.00 0.00 0.00 0.00 61.98 64.04 3hg0 s VAL 109 Cb -0.11 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3hg0 s VAL 109 CO 0.27 0.14 1.11 -2.65 0.00 0.00 0.00 175.10 173.97 3hg0 n PRO 110 N 4.19 1.05 -0.32 2.72 -0.02 -1.26 -4.46 135.00 136.90 3hg0 n PRO 110 Ca 0.05 0.41 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 3hg0 n PRO 110 Cb 0.50 -2.32 0.39 0.00 -0.02 0.00 0.00 33.50 32.05 3hg0 n PRO 110 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3hg0 h ASN 111 N 0.61 0.65 0.69 2.55 -0.73 -1.94 -1.46 115.58 115.96 3hg0 h ASN 111 Ca -0.49 0.08 0.00 0.00 1.87 0.00 0.00 56.30 57.76 3hg0 h ASN 111 Cb 1.35 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.90 3hg0 h ASN 111 CO 0.52 0.23 0.00 -1.84 -0.37 0.00 0.00 177.43 175.97 3hg0 n GLU 112 N -4.68 0.05 0.00 6.67 0.28 -1.26 -1.24 120.64 120.46 3hg0 n GLU 112 Ca 0.23 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.46 3hg0 n GLU 112 Cb 0.64 -1.50 0.13 0.00 1.43 0.00 0.00 31.44 32.14 3hg0 n GLU 112 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3hg0 n PHE 113 N -1.47 0.00 -2.92 -1.84 3.72 -0.55 -4.94 117.46 109.46 3hg0 n PHE 113 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 3hg0 n PHE 113 Cb 0.24 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 3hg0 n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hg0 s PRO 115 N 0.38 1.39 0.06 0.00 0.04 -1.26 -4.93 135.00 130.68 3hg0 s PRO 115 Ca 0.42 0.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 3hg0 s PRO 115 Cb -0.20 -1.83 -0.22 0.00 0.04 0.00 0.00 34.50 32.28 3hg0 s PRO 115 CO 0.23 -2.12 1.19 -0.09 0.04 0.00 0.00 177.00 176.25 3hg0 h ARG 116 N -1.45 0.65 -6.02 4.56 2.43 -1.80 -3.33 114.38 109.42 3hg0 h ARG 116 Ca -0.49 -0.68 -0.59 0.00 -0.81 0.00 0.00 59.98 57.41 3hg0 h ARG 116 Cb 1.29 0.19 -0.12 0.00 -0.42 0.00 0.00 29.97 30.91 3hg0 h ARG 116 CO 0.57 1.27 -0.65 -0.80 -1.51 0.00 0.00 179.97 178.85 3hg0 s ASN 117 N -7.15 4.04 0.04 -3.80 0.02 -1.26 -4.67 114.94 102.17 3hg0 s ASN 117 Ca -0.11 -1.03 -0.35 0.00 -1.02 0.00 0.00 52.86 50.36 3hg0 s ASN 117 Cb 0.06 -0.49 -0.13 0.00 0.02 0.00 0.00 41.25 40.71 3hg0 s ASN 117 CO 0.90 -0.19 1.67 0.54 0.02 0.00 0.00 177.10 180.04 3hg0 n ARG 118 N -0.88 2.00 -4.56 -0.60 1.74 -1.26 -4.67 116.66 108.43 3hg0 n ARG 118 Ca -0.05 0.73 -0.34 0.00 -0.77 0.00 0.00 57.85 57.42 3hg0 n ARG 118 Cb 0.62 -2.51 -0.11 0.00 -1.02 0.00 0.00 32.46 29.44 3hg0 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hg0 s SER 120 N -0.56 5.56 -0.49 0.00 0.01 -1.26 -1.20 113.70 115.76 3hg0 s SER 120 Ca 0.09 -1.43 -0.22 0.00 1.31 0.00 0.00 55.95 55.70 3hg0 s SER 120 Cb -0.12 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.19 3hg0 s SER 120 CO 0.02 -0.49 0.74 -0.76 0.41 0.00 0.00 173.24 173.16 3hg0 s LEU 121 N 1.41 4.48 0.11 2.44 1.43 0.29 -4.89 118.68 123.96 3hg0 s LEU 121 Ca 0.02 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 3hg0 s LEU 121 Cb -0.22 -2.72 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 3hg0 s LEU 121 CO 0.02 -0.95 0.86 -0.69 0.23 0.00 0.00 176.35 175.82 3hg0 s VAL 122 N 3.14 4.51 0.26 -1.59 1.01 -1.26 -1.12 120.40 125.35 3hg0 s VAL 122 Ca 0.24 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.05 3hg0 s VAL 122 Cb -0.15 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 3hg0 s VAL 122 CO 0.18 0.39 0.30 -0.83 0.00 0.00 0.00 175.10 175.14 3hg0 s GLY 123 N -0.34 1.40 0.00 4.51 0.00 0.20 -4.74 107.32 108.36 3hg0 s GLY 123 Ca 0.41 -1.55 0.01 0.00 0.00 0.00 0.00 44.72 43.59 3hg0 s GLY 123 CO 0.27 -1.16 -0.02 -1.58 0.00 0.00 0.00 173.10 170.60 3hg0 s HIS 124 N -3.79 0.21 -0.26 1.90 5.65 0.15 -0.61 115.29 118.53 3hg0 s HIS 124 Ca 0.34 -0.13 -0.23 0.00 0.25 0.00 0.00 55.06 55.29 3hg0 s HIS 124 Cb 0.03 -0.14 -0.01 0.00 -1.18 0.00 0.00 32.58 31.29 3hg0 s HIS 124 CO 0.16 -0.03 0.76 -1.64 -0.65 0.00 0.00 174.74 173.33 3hg0 s MET 125 N -0.35 4.10 0.22 2.88 1.00 -0.32 -0.97 119.30 125.86 3hg0 s MET 125 Ca -0.02 0.73 -0.27 0.00 0.00 0.00 0.00 55.69 56.12 3hg0 s MET 125 Cb -0.03 -3.67 -0.17 0.00 0.00 0.00 0.00 34.83 30.97 3hg0 s MET 125 CO -0.00 -0.53 0.50 0.28 0.00 0.00 0.00 175.02 175.27 3hg0 n VAL 126 N 5.32 1.90 -1.05 -6.03 0.31 -0.37 -3.31 118.33 115.09 3hg0 n VAL 126 Ca 0.03 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.84 3hg0 n VAL 126 Cb 0.48 -0.04 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 3hg0 n VAL 126 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hg0 n GLY 127 N 2.00 0.49 0.00 2.92 0.00 -1.26 -4.77 105.19 104.56 3hg0 n GLY 127 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3hg0 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hg0 n GLY 128 N -1.78 3.26 0.40 -0.02 0.00 -1.21 -5.04 105.19 100.81 3hg0 n GLY 128 Ca -0.02 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.29 3hg0 n GLY 128 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hg0 n TRP 129 N 0.00 0.00 -2.25 1.61 5.03 -1.26 -4.90 117.44 115.67 3hg0 n TRP 129 Ca 0.00 0.00 -0.41 0.00 3.03 0.00 0.00 57.50 60.12 3hg0 n TRP 129 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.25 3hg0 n TRP 129 CO 0.00 0.00 0.00 -0.80 -0.03 0.00 0.00 177.69 176.86 3hg0 s ASN 130 N -1.70 6.96 0.12 -0.99 0.01 -1.26 -4.94 114.94 113.14 3hg0 s ASN 130 Ca 0.14 2.52 0.08 0.00 -0.71 0.00 0.00 52.86 54.89 3hg0 s ASN 130 Cb 0.12 -2.64 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 3hg0 s ASN 130 CO 0.34 -0.39 -0.18 0.00 -1.51 0.00 0.00 177.10 175.36 3hg0 s ALA 131 N -1.10 1.78 0.27 0.60 0.00 -1.26 -1.17 121.76 120.87 3hg0 s ALA 131 Ca 0.47 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3hg0 s ALA 131 Cb -0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.55 3hg0 s ALA 131 CO 0.48 0.26 0.38 -0.59 0.00 0.00 0.00 175.76 176.29 3hg0 s PHE 132 N -1.63 0.83 0.02 0.00 -0.12 0.21 -4.90 117.98 112.40 3hg0 s PHE 132 Ca 0.09 -1.10 -0.03 0.00 -0.05 0.00 0.00 56.93 55.84 3hg0 s PHE 132 Cb -0.08 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 3hg0 s PHE 132 CO 0.05 -0.94 0.04 -3.38 -0.05 0.00 0.00 175.22 170.93 3hg0 s HIS 133 N -3.74 0.19 -0.15 3.49 -3.43 -1.26 0.59 115.29 110.98 3hg0 s HIS 133 Ca 0.30 -0.42 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 3hg0 s HIS 133 Cb 0.02 -0.15 0.01 0.00 -1.43 0.00 0.00 32.58 31.03 3hg0 s HIS 133 CO 0.14 -0.25 -0.21 0.42 -2.00 0.00 0.00 174.74 172.84 3hg0 s ILE 134 N -1.65 2.05 0.06 -5.38 1.01 -0.28 -1.36 121.20 115.65 3hg0 s ILE 134 Ca -0.14 -0.96 -0.24 0.00 0.00 0.00 0.00 60.65 59.32 3hg0 s ILE 134 Cb -0.08 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 3hg0 s ILE 134 CO -0.01 0.54 0.72 -1.81 0.00 0.00 0.00 174.94 174.38 3hg0 s ASP 135 N 0.98 7.18 -0.20 3.58 1.01 -0.36 -0.55 116.67 128.32 3hg0 s ASP 135 Ca -0.03 1.41 -0.01 0.00 0.71 0.00 0.00 52.55 54.63 3hg0 s ASP 135 Cb -0.15 -2.44 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3hg0 s ASP 135 CO -0.06 0.08 -0.13 -0.51 0.21 0.00 0.00 175.17 174.76 3hg0 s ILE 136 N -0.34 2.63 0.40 0.77 2.07 -0.34 -1.10 121.20 125.29 3hg0 s ILE 136 Ca 0.36 -0.75 0.06 0.00 -1.41 0.00 0.00 60.65 58.92 3hg0 s ILE 136 Cb -0.20 -2.15 0.06 0.00 0.13 0.00 0.00 42.46 40.30 3hg0 s ILE 136 CO 0.22 0.49 0.54 -0.81 -1.91 0.00 0.00 174.94 173.47 3hg0 n PRO 137 N 4.66 0.74 -0.31 3.50 -0.05 -1.26 -1.90 135.00 140.38 3hg0 n PRO 137 Ca -0.20 -2.18 0.10 0.00 -0.05 0.00 0.00 63.50 61.17 3hg0 n PRO 137 Cb 0.50 -0.14 0.26 0.00 -0.05 0.00 0.00 33.50 34.08 3hg0 n PRO 137 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 175.50 176.22 3hg0 h SER 138 N 0.10 0.53 0.59 3.54 0.02 -1.83 -0.46 113.55 116.03 3hg0 h SER 138 Ca -0.19 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3hg0 h SER 138 Cb 0.86 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3hg0 h SER 138 CO 0.28 0.18 0.00 -1.54 -1.14 0.00 0.00 176.83 174.60 3hg0 n SER 139 N -4.89 0.29 0.00 3.07 3.41 -1.26 -4.77 113.62 109.46 3hg0 n SER 139 Ca 0.19 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 3hg0 n SER 139 Cb 0.51 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3hg0 n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hg0 n GLY 140 N -0.03 1.65 3.56 5.00 0.00 -0.18 -4.70 105.19 110.49 3hg0 n GLY 140 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3hg0 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg0 s VAL 141 N -2.90 3.81 0.76 1.61 1.01 -1.26 -0.79 120.40 122.64 3hg0 s VAL 141 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 3hg0 s VAL 141 Cb 0.00 -4.93 0.05 0.00 0.00 0.00 0.00 36.38 31.51 3hg0 s VAL 141 CO 0.00 -1.83 1.11 0.00 0.00 0.00 0.00 175.10 174.38 3hg0 s GLN 143 N -4.61 0.14 -0.23 0.00 0.74 -0.26 -1.33 119.66 114.11 3hg0 s GLN 143 Ca 0.64 0.33 -0.18 0.00 0.05 0.00 0.00 55.36 56.20 3hg0 s GLN 143 Cb -0.19 -0.07 -0.03 0.00 1.10 0.00 0.00 33.01 33.82 3hg0 s GLN 143 CO 0.52 -0.11 0.51 -0.46 -0.55 0.00 0.00 175.29 175.20 3hg0 s TRP 144 N 0.76 3.32 -0.18 1.67 -0.11 -0.33 -1.22 118.94 122.85 3hg0 s TRP 144 Ca -0.06 0.69 0.16 0.00 1.22 0.00 0.00 56.10 58.12 3hg0 s TRP 144 Cb -0.07 -2.69 0.50 0.00 -1.50 0.00 0.00 33.47 29.71 3hg0 s TRP 144 CO -0.04 -0.19 1.39 1.19 -4.62 0.00 0.00 176.95 174.68 3hg0 n PHE 145 N 5.17 0.85 -1.78 5.86 3.72 -0.46 -0.88 117.46 129.93 3hg0 n PHE 145 Ca -0.05 -0.95 -0.14 0.00 -0.05 0.00 0.00 57.45 56.26 3hg0 n PHE 145 Cb 0.50 -0.31 0.09 0.00 -0.94 0.00 0.00 39.48 38.82 3hg0 n PHE 145 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hg0 n GLY 146 N -0.67 -0.69 3.94 1.37 0.00 -1.26 -4.60 105.19 103.28 3hg0 n GLY 146 Ca 0.22 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 3hg0 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hg0 s PRO 147 N -4.30 0.66 0.25 1.61 0.05 -1.26 -3.27 135.00 128.74 3hg0 s PRO 147 Ca 0.38 -0.53 -0.31 0.00 0.05 0.00 0.00 61.00 60.58 3hg0 s PRO 147 Cb -0.01 -1.89 -0.13 0.00 0.05 0.00 0.00 34.50 32.51 3hg0 s PRO 147 CO 0.26 -2.37 1.52 2.41 0.05 0.00 0.00 177.00 178.87 3hg0 n THR 148 N -3.69 0.80 -3.72 1.26 -1.04 -1.26 -4.22 114.28 102.40 3hg0 n THR 148 Ca 0.16 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.05 61.84 3hg0 n THR 148 Cb 0.59 -1.69 -0.07 0.00 -1.82 0.00 0.00 70.33 67.34 3hg0 n THR 148 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hg0 s ALA 149 N 0.16 -0.85 0.00 2.41 0.00 -0.93 -4.87 121.76 117.69 3hg0 s ALA 149 Ca 0.68 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.90 3hg0 s ALA 149 Cb -0.59 0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3hg0 s ALA 149 CO 0.47 -0.36 0.48 -1.13 0.00 0.00 0.00 175.76 175.21 3hg0 n SER 150 N 0.83 0.00 -3.39 0.00 3.41 -1.26 -0.76 113.62 112.46 3hg0 n SER 150 Ca -0.20 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.32 3hg0 n SER 150 Cb 0.58 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.52 3hg0 n SER 150 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3hg0 s SER 151 N 0.00 0.05 0.00 4.04 1.04 -1.26 -4.09 113.70 113.48 3hg0 s SER 151 Ca 0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 3hg0 s SER 151 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3hg0 s SER 151 CO 0.00 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.37 3hg0 n GLY 152 N -0.49 2.61 3.27 7.32 0.00 -1.26 -4.66 105.19 111.98 3hg0 n GLY 152 Ca -0.05 -1.98 -0.39 0.00 0.00 0.00 0.00 46.02 43.61 3hg0 n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hg0 s THR 153 N -2.75 3.97 -0.03 2.61 2.01 -1.26 -0.31 115.64 119.88 3hg0 s THR 153 Ca 0.00 -1.25 -0.20 0.00 0.31 0.00 0.00 61.69 60.55 3hg0 s THR 153 Cb 0.00 -3.33 -0.05 0.00 0.01 0.00 0.00 72.50 69.13 3hg0 s THR 153 CO 0.00 -0.32 0.56 -2.16 -0.69 0.00 0.00 174.62 172.01 3hg0 s PRO 154 N 1.41 4.30 0.09 4.92 0.04 -1.26 -1.23 135.00 143.26 3hg0 s PRO 154 Ca 0.01 0.66 -0.03 0.00 0.04 0.00 0.00 61.00 61.68 3hg0 s PRO 154 Cb -0.21 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3hg0 s PRO 154 CO 0.02 0.34 0.07 1.03 0.04 0.00 0.00 177.00 178.50 3hg0 s ARG 155 N -0.05 0.80 0.00 4.56 1.81 -0.14 -3.89 118.95 122.04 3hg0 s ARG 155 Ca 0.30 -1.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 3hg0 s ARG 155 Cb -0.17 0.26 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 3hg0 s ARG 155 CO 0.16 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 3hg0 n GLY 156 N -0.01 3.17 3.42 -3.53 0.00 -1.24 0.31 105.19 107.30 3hg0 n GLY 156 Ca -0.11 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3hg0 n GLY 156 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hg0 s THR 157 N 0.00 2.86 0.00 2.61 2.01 -1.26 -1.06 115.64 120.79 3hg0 s THR 157 Ca 0.00 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.21 3hg0 s THR 157 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3hg0 s THR 157 CO 0.00 0.58 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3hg0 n GLY 158 N 2.59 0.98 3.13 4.40 0.00 -1.04 -5.03 105.19 110.22 3hg0 n GLY 158 Ca -0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3hg0 n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hg0 s THR 159 N -2.27 0.53 0.07 2.61 -4.23 -1.26 -0.75 115.64 110.33 3hg0 s THR 159 Ca 0.00 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 3hg0 s THR 159 Cb 0.00 -1.49 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 3hg0 s THR 159 CO 0.00 -0.85 0.08 -0.72 -0.54 0.00 0.00 174.62 172.59 3hg0 s TYR 160 N -3.42 0.32 0.14 3.99 -0.85 -0.18 -4.96 117.35 112.40 3hg0 s TYR 160 Ca 0.07 -0.78 -0.09 0.00 -0.52 0.00 0.00 57.07 55.75 3hg0 s TYR 160 Cb 0.04 -0.21 -0.06 0.00 0.38 0.00 0.00 41.96 42.11 3hg0 s TYR 160 CO -0.06 -0.45 0.45 -1.25 -1.52 0.00 0.00 175.55 172.72 3hg0 s PRO 161 N -3.72 3.75 -0.16 -3.49 0.05 -1.26 -0.89 135.00 129.28 3hg0 s PRO 161 Ca 0.05 0.16 -0.13 0.00 0.05 0.00 0.00 61.00 61.13 3hg0 s PRO 161 Cb 0.05 -2.86 -0.06 0.00 0.05 0.00 0.00 34.50 31.69 3hg0 s PRO 161 CO -0.10 0.46 -0.19 -0.89 0.05 0.00 0.00 177.00 176.33 3hg0 n ILE 162 N 0.40 1.45 0.00 0.56 -0.00 -0.12 -4.57 119.36 117.08 3hg0 n ILE 162 Ca -0.04 0.15 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 3hg0 n ILE 162 Cb 0.52 -2.32 0.00 0.00 -0.00 0.00 0.00 39.64 37.84 3hg0 n ILE 162 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02